| 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 | 66.7 | Low | 88.9 | Confident | 188 Ų | 188 | 58.2 Ų | 58.2 | 93% | 0.926 | 28% | 0.284 | S | S | * | . | 0 | 106.2 | 0 | -61.5 | -170.4 | -81.7 | 0 | 0 | 108.5 | |||||
| 2 | S | 82 | Confident | 89.3 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | trans | -137.8 | -16.6 | -171.5 | 73.8 | 0 | 0 | 0 | 0 | 117.5 | F4 K5 G360 D362 | S2-F4 PolarHBondContact O-N 2.64Å; S2-K5 WeakPolarHBondContact O-CB 3.36Å; S2-K5 PolarHBondContact O-N 3.19Å; S2-G360 CarbonylContact O-C 3.59Å; S2-G360 WeakPolarHBondContact O-CA 3.48Å; S2-D362 PolarHBondContact N-O 2.94Å; S2-D362 WeakPolarHBondContact OG-CB 3.14Å; S2-D362 PolarHBondContact OG-N 2.95Å | ||
| 3 | L | 90.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 132 | -176.3 | -168.6 | 73 | 0 | 0 | 0 | 112.6 | K5 W322 G360 D362 P363 | L3-K5 PolarHBondContact O-N 3.28Å; L3-W322 HydrophobicContact CD1-CH2 4.07Å; L3-W322 HydrophobicContact CD1-CZ2 4.19Å; L3-G360 WeakPolarHBondContact CA-O 3.47Å; L3-D362 WeakPolarHBondContact CB-O 3.26Å; L3-D362 PolarHBondContact N-O 3.21Å; L3-P363 HydrophobicContact CD2-CB 4.1Å |
| 4 | F | 92.3 | Very high | 89.8 | Confident | 98 Ų | 98 | 56.1 Ų | 56.1 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 27.4 | -179 | -50.3 | -55.8 | 0 | 0 | 0 | 114.4 | S2 W322 A323 T324 Q325 G360 | S2-F4 PolarHBondContact O-N 2.64Å; F4-W322 HydrophobicContact CD1-CZ2 4.03Å; F4-W322 HydrophobicContact CE1-CH2 4.16Å; F4-W322 HydrophobicContact CE1-CZ2 4.08Å; F4-W322 HydrophobicContact CE1-CZ3 4.41Å; F4-A323 VanDerWaalsContact CD1-O 3.3Å; F4-A323 WeakPolarHBondContact CD1-O 3.35Å; F4-T324 CarbonylContact O-C 3.55Å; F4-T324 WeakPolarHBondContact O-CA 3.49Å; F4-Q325 PolarHBondContact O-N 3.38Å; F4-G360 PolarHBondContact N-O 2.84Å; F4-G360 VanDerWaalsContact N-O 3.14Å |
| 5 | K | 92.9 | Very high | 89.4 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 37% | 0.365 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -122.3 | 136.7 | 171.3 | -57.7 | -171.3 | 175.6 | -170.9 | 0 | 110.5 | S2 L3 R7 T324 G360 | S2-K5 WeakPolarHBondContact O-CB 3.36Å; S2-K5 PolarHBondContact O-N 3.19Å; L3-K5 PolarHBondContact O-N 3.28Å; K5-R7 PolarHBondContact O-N 3.12Å; K5-R7 VanDerWaalsContact O-N 3.16Å; K5-T324 WeakPolarHBondContact CA-OG1 3.49Å; K5-T324 PolarHBondContact N-OG1 2.73Å; K5-G360 WeakPolarHBondContact O-CA 3.18Å; K5-G360 PolarHBondContact O-N 2.78Å |
| 6 | A | 93 | Very high | 89 | Confident | 11 Ų | 11 | 61 Ų | 61 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 115.7 | 169 | 0 | 0 | 0 | 0 | 0 | 106.6 | T324 Q325 L326 | A6-T324 HydrophobicContact CB-CG2 4.5Å; A6-T324 PolarHBondContact N-OG1 2.71Å; A6-Q325 WeakPolarHBondContact CB-O 3.2Å; A6-Q325 PolarHBondContact N-O 3.19Å; A6-L326 HydrophobicContact CB-CD2 3.72Å |
| 7 | R | 91.9 | Very high | 88.8 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 30% | 0.298 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.7 | 179 | -71.3 | -65.5 | 100.5 | -172 | -7.1 | 108 | K5 S357 Y358 | K5-R7 PolarHBondContact O-N 3.12Å; K5-R7 VanDerWaalsContact O-N 3.16Å; R7-S357 WeakPolarHBondContact O-CA 3.42Å; R7-S357 VanDerWaalsContact O-CB 3.22Å; R7-S357 WeakPolarHBondContact O-CB 3.4Å; R7-Y358 HydrophobicContact CB-CD1 4.3Å; R7-Y358 HydrophobicContact CB-CD2 3.78Å; R7-Y358 HydrophobicContact CB-CE1 3.89Å; R7-Y358 HydrophobicContact CB-CE2 3.32Å; R7-Y358 HydrophobicContact CB-CG 4.24Å; R7-Y358 HydrophobicContact CG-CD2 4.36Å; R7-Y358 HydrophobicContact CG-CE2 3.8Å; R7-Y358 PolarHBondContact N-O 3.21Å; R7-Y358 PolarHBondContact O-N 2.99Å |
| 8 | D | 91.5 | Very high | 89 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.7 | -178.9 | -160.8 | 32.7 | 0 | 0 | 0 | 110.8 | S11 Q355 | D8-S11 WeakPolarHBondContact OD1-CB 3.19Å; D8-S11 PolarHBondContact OD1-OG 3.35Å; D8-S11 PolarHBondContact OD2-OG 3.42Å; D8-Q355 WeakPolarHBondContact OD1-CG 3.35Å; D8-Q355 PolarHBondContact OD1-NE2 2.81Å |
| 9 | W | 90.5 | Very high | 89.3 | Confident | 22 Ų | 22 | 68.4 Ų | 68.4 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -51.4 | 173.6 | -171.7 | 65.5 | 0 | 0 | 0 | 110.4 | P54 P56 G60 L338 H339 L341 V344 C356 Y358 | W9-P54 HydrophobicContact CZ3-CB 4.35Å; W9-P56 HydrophobicContact CD2-CG 4.09Å; W9-P56 HydrophobicContact CE3-CG 4.37Å; W9-P56 HydrophobicContact CH2-CG 4.23Å; W9-P56 HydrophobicContact CZ2-CG 3.9Å; W9-P56 HydrophobicContact CZ3-CG 4.44Å; W9-G60 PolarHBondContact O-N 3.1Å; W9-G60 VanDerWaalsContact O-N 3.14Å; W9-L338 HydrophobicContact CH2-CB 3.84Å; W9-L338 WeakPolarHBondContact CH2-O 3.47Å; W9-L338 HydrophobicContact CZ3-CB 3.67Å; W9-L338 HydrophobicContact CZ3-CD1 4.08Å; W9-H339 HydrophobicContact CH2-CB 3.88Å; W9-H339 HydrophobicContact CZ2-CB 4.31Å; W9-L341 HydrophobicContact CD2-CD2 4.33Å; W9-L341 HydrophobicContact CZ2-CB 4.35Å; W9-L341 HydrophobicContact CZ2-CD2 4.2Å; W9-V344 HydrophobicContact CE3-CG1 4.19Å; W9-C356 WeakPolarHBondContact CA-O 3.36Å; W9-C356 HydrophobicContact CB-CB 4.43Å; W9-C356 VanDerWaalsContact CB-O 3.3Å; W9-C356 WeakPolarHBondContact CB-O 3.4Å; W9-C356 HydrophobicContact CE3-CB 3.74Å; W9-C356 HydrophobicContact CZ3-CB 4.49Å; W9-C356 PolarHBondContact N-O 2.62Å; W9-Y358 HydrophobicContact CB-CD1 3.99Å; W9-Y358 HydrophobicContact CB-CE1 4.14Å; W9-Y358 HydrophobicContact CG-CD1 4.44Å |
| 10 | W | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 137 | 172.6 | 173.5 | 91.7 | 0 | 0 | 0 | 108 | T12 I40 F52 P54 P56 A63 D67 L354 C356 | W10-T12 HydrophobicContact CH2-CG2 3.63Å; W10-T12 HydrophobicContact CZ2-CG2 4.09Å; W10-T12 HydrophobicContact CZ3-CG2 4.22Å; W10-I40 HydrophobicContact CE3-CD1 4.24Å; W10-I40 HydrophobicContact CZ3-CD1 3.84Å; W10-F52 HydrophobicContact CH2-CB 4.03Å; W10-F52 AromaticContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD2 4.39Å; W10-F52 HydrophobicContact CH2-CE1 4.22Å; W10-F52 AromaticContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CZ2-CB 4.42Å; W10-F52 AromaticContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CE1 4.38Å; W10-F52 HydrophobicContact CZ2-CG 4.28Å; W10-P54 HydrophobicContact CB-CB 4.15Å; W10-P54 HydrophobicContact CD2-CB 3.68Å; W10-P54 HydrophobicContact CD2-CG 3.76Å; W10-P54 HydrophobicContact CE3-CB 4.18Å; W10-P54 HydrophobicContact CE3-CG 3.78Å; W10-P54 HydrophobicContact CG-CB 3.66Å; W10-P54 HydrophobicContact CG-CG 4.27Å; W10-P54 HydrophobicContact CH2-CG 4.3Å; W10-P54 HydrophobicContact CZ2-CG 4.29Å; W10-P54 HydrophobicContact CZ3-CG 4.05Å; W10-P56 HydrophobicContact CB-CG 4.37Å; W10-A63 HydrophobicContact CZ2-CB 4.03Å; W10-D67 HydrophobicContact CZ2-CB 4.07Å; W10-D67 PolarHBondContact NE1-OD2 2.63Å; W10-L354 HydrophobicContact CH2-CD2 3.85Å; W10-L354 HydrophobicContact CZ3-CD2 3.67Å; W10-L354 HydrophobicContact CZ3-CG 3.97Å; W10-C356 HydrophobicContact CB-CB 4.2Å; W10-C356 HydrophobicContact CE3-CB 4.47Å; W10-C356 PolarHBondContact N-O 3.48Å; W10-C356 WeakPolarHBondContact O-CA 3.49Å; W10-C356 WeakPolarHBondContact O-CB 3.43Å; W10-C356 PolarHBondContact O-N 2.93Å |
| 11 | S | 93 | Very high | 89.9 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.5 | 179 | 59 | 0 | 0 | 0 | 0 | 112.2 | D8 A63 L354 | D8-S11 WeakPolarHBondContact OD1-CB 3.19Å; D8-S11 PolarHBondContact OD1-OG 3.35Å; D8-S11 PolarHBondContact OD2-OG 3.42Å; S11-A63 PolarHBondContact O-N 3.42Å; S11-L354 WeakPolarHBondContact CA-O 3.28Å |
| 12 | T | 93.8 | Very high | 91.2 | Very high | 39 Ų | 39 | 59.1 Ų | 59.1 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 158.7 | 172.7 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | W10 L14 F52 L354 | W10-T12 HydrophobicContact CH2-CG2 3.63Å; W10-T12 HydrophobicContact CZ2-CG2 4.09Å; W10-T12 HydrophobicContact CZ3-CG2 4.22Å; T12-L14 HydrophobicContact CG2-CD2 3.76Å; T12-L14 HydrophobicContact CG2-CG 4.47Å; T12-F52 HydrophobicContact CG2-CE1 4.41Å; T12-F52 HydrophobicContact CG2-CZ 4.39Å; T12-L354 HydrophobicContact CG2-CB 4.18Å; T12-L354 HydrophobicContact CG2-CD2 4.2Å; T12-L354 PolarHBondContact N-O 3.42Å; T12-L354 PolarHBondContact O-N 2.91Å; T12-L354 VanDerWaalsContact O-O 3.09Å |
| 13 | I | 93.5 | Very high | 91.7 | Very high | 103 Ų | 103 | 58.7 Ų | 58.7 | 53% | 0.528 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.8 | 168.7 | -58 | 175.8 | 0 | 0 | 0 | 107.3 | G15 | I13-G15 PolarHBondContact O-N 3.09Å |
| 14 | L | 92.2 | Very high | 92 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | trans | -91.9 | 101.3 | -175.5 | -59.9 | 179.1 | 0 | 0 | 0 | 110.4 | T12 F20 V42 F52 L348 G352 L354 | T12-L14 HydrophobicContact CG2-CD2 3.76Å; T12-L14 HydrophobicContact CG2-CG 4.47Å; L14-F20 HydrophobicContact CB-CE2 4.17Å; L14-F20 HydrophobicContact CB-CZ 3.72Å; L14-F20 HydrophobicContact CD1-CE1 4.17Å; L14-F20 HydrophobicContact CD1-CZ 4.04Å; L14-V42 HydrophobicContact CD1-CB 4.03Å; L14-V42 HydrophobicContact CD1-CG1 3.64Å; L14-V42 HydrophobicContact CD1-CG2 4.1Å; L14-F52 HydrophobicContact CD2-CE2 3.66Å; L14-F52 HydrophobicContact CD2-CZ 3.43Å; L14-F52 VanDerWaalsContact CD2-CZ 3.43Å; L14-L348 HydrophobicContact CD1-CD1 3.85Å; L14-G352 WeakPolarHBondContact CB-O 3.25Å; L14-G352 WeakPolarHBondContact CG-O 3.37Å; L14-G352 PolarHBondContact N-O 3.24Å; L14-L354 HydrophobicContact CD1-CB 3.91Å; L14-L354 HydrophobicContact CD1-CD2 4.18Å; L14-L354 HydrophobicContact CD2-CB 4.45Å; L14-L354 HydrophobicContact CD2-CD2 4.24Å; L14-L354 HydrophobicContact CG-CB 3.99Å | ||
| 15 | G | 83.7 | Confident | 92.3 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 67.8 | -173.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I13 E18 | I13-G15 PolarHBondContact O-N 3.09Å; G15-E18 VanDerWaalsContact CA-OE1 3.31Å; G15-E18 WeakPolarHBondContact CA-OE1 3.33Å |
| 16 | D | 83.4 | Confident | 92.5 | Very high | 160 Ų | 160 | 47.9 Ų | 47.9 | 86% | 0.856 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -111.4 | 111.2 | 178.7 | -73.9 | -29.6 | 0 | 0 | 0 | 109.7 | E18 | D16-E18 VanDerWaalsContact C-N 3.28Å; D16-E18 PolarHBondContact O-N 3.18Å |
| 17 | K | 85.6 | Confident | 92.6 | Very high | 202 Ų | 202 | 48.7 Ų | 48.7 | 88% | 0.878 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 57.2 | 38.5 | 179.9 | -54.1 | 178.1 | 179 | 178.6 | 0 | 113.6 | ||
| 18 | E | 92.7 | Very high | 92.7 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -75.9 | 168.1 | 167.1 | -67 | -167.5 | -139.4 | 0 | 0 | 111.1 | G15 D16 F20 S44 M46 R50 | G15-E18 VanDerWaalsContact CA-OE1 3.31Å; G15-E18 WeakPolarHBondContact CA-OE1 3.33Å; D16-E18 VanDerWaalsContact C-N 3.28Å; D16-E18 PolarHBondContact O-N 3.18Å; E18-F20 HydrophobicContact CB-CE2 3.61Å; E18-F20 HydrophobicContact CB-CZ 3.74Å; E18-S44 WeakPolarHBondContact OE2-CB 3.43Å; E18-S44 PolarHBondContact OE2-OG 2.88Å; E18-M46 HydrophobicContact CB-CG 4.47Å; E18-M46 HydrophobicContact CG-CG 4.14Å; E18-R50 VanDerWaalsContact CD-NH1 3.31Å; E18-R50 IonicContact OE1-CZ 3.74Å; E18-R50 VanDerWaalsContact OE1-CZ 3.27Å; E18-R50 IonicContact OE1-NH1 3.49Å; E18-R50 PolarHBondContact OE1-NH1 3.18Å; E18-R50 VanDerWaalsContact OE1-NH1 3.07Å; E18-R50 IonicContact OE1-NH2 3.39Å; E18-R50 PolarHBondContact OE1-NH2 3.38Å; E18-R50 IonicContact OE2-CZ 2.84Å; E18-R50 IonicContact OE2-NH1 2.8Å; E18-R50 PolarHBondContact OE2-NH1 3.22Å; E18-R50 IonicContact OE2-NH2 3.39Å | ||
| 19 | E | 94.8 | Very high | 92.8 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | trans | -133.9 | 135.9 | -179.1 | -169.4 | 178.1 | -177.9 | 0 | 0 | 109.6 | F45 D350 | E19-F45 HydrophobicContact CB-CB 4.27Å; E19-F45 HydrophobicContact CB-CD2 4.08Å; E19-F45 HydrophobicContact CG-CD2 3.76Å; E19-F45 HydrophobicContact CG-CE2 4.3Å; E19-F45 WeakPolarHBondContact O-CB 3.45Å; E19-F45 PolarHBondContact O-N 2.99Å; E19-D350 WeakPolarHBondContact CA-O 3.42Å | ||
| 20 | F | 96.7 | Very high | 93 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | trans | -134.5 | 153.9 | -175.8 | -54.5 | -88.3 | 0 | 0 | 0 | 111.3 | L14 E18 C24 V42 G43 L348 D350 | L14-F20 HydrophobicContact CB-CE2 4.17Å; L14-F20 HydrophobicContact CB-CZ 3.72Å; L14-F20 HydrophobicContact CD1-CE1 4.17Å; L14-F20 HydrophobicContact CD1-CZ 4.04Å; E18-F20 HydrophobicContact CB-CE2 3.61Å; E18-F20 HydrophobicContact CB-CZ 3.74Å; F20-C24 HydrophobicContact CB-CB 4.26Å; F20-C24 HydrophobicContact CD1-CB 4.34Å; F20-V42 HydrophobicContact CD1-CG1 3.66Å; F20-V42 HydrophobicContact CE1-CG1 3.59Å; F20-G43 VanDerWaalsContact CD1-O 3.31Å; F20-G43 WeakPolarHBondContact CD1-O 3.45Å; F20-L348 HydrophobicContact CB-CD2 3.92Å; F20-L348 HydrophobicContact CB-CG 4.27Å; F20-L348 HydrophobicContact CD1-CD2 4.15Å; F20-L348 HydrophobicContact CD2-CD1 4.48Å; F20-L348 HydrophobicContact CG-CD1 4.3Å; F20-L348 HydrophobicContact CG-CD2 4.15Å; F20-L348 HydrophobicContact CG-CG 4.44Å; F20-D350 WeakPolarHBondContact CD2-O 3.03Å; F20-D350 PolarHBondContact N-O 3.04Å | ||
| 21 | D | 95 | Very high | 92.9 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | trans | -133.5 | 177.5 | 178.1 | -163.1 | 7.7 | 0 | 0 | 0 | 111.8 | G23 C24 F45 | D21-G23 PolarHBondContact O-N 2.94Å; D21-G23 VanDerWaalsContact O-N 3.11Å; D21-C24 PolarHBondContact N-SG 3.3Å; D21-C24 WeakPolarHBondContact O-CB 3.23Å; D21-C24 PolarHBondContact O-N 2.79Å; D21-F45 HydrophobicContact CB-CE1 4.07Å; D21-F45 HydrophobicContact CB-CE2 4.22Å; D21-F45 HydrophobicContact CB-CZ 3.48Å; D21-F45 VanDerWaalsContact CB-CZ 3.48Å | ||
| 22 | Q | 92.8 | Very high | 92.8 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -55.3 | -32.4 | -174.3 | 61.7 | -178.5 | -2.4 | 0 | 0 | 114.4 | C24 L246 | Q22-C24 VanDerWaalsContact C-N 3.31Å; Q22-L246 PolarHBondContact OE1-O 2.92Å |
| 23 | G | 93.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -79.5 | -10.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D21 Q80 V81 | D21-G23 PolarHBondContact O-N 2.94Å; D21-G23 VanDerWaalsContact O-N 3.11Å; G23-Q80 CarbonylContact O-C 3.59Å; G23-Q80 VanDerWaalsContact O-CA 3.31Å; G23-Q80 WeakPolarHBondContact O-CA 3.43Å; G23-V81 PolarHBondContact O-N 3.23Å |
| 24 | C | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -75.9 | -26.5 | -173.7 | -69.4 | 0 | 0 | 0 | 0 | 113.4 | F20 D21 Q22 V42 G43 L348 | F20-C24 HydrophobicContact CB-CB 4.26Å; F20-C24 HydrophobicContact CD1-CB 4.34Å; D21-C24 PolarHBondContact N-SG 3.3Å; D21-C24 WeakPolarHBondContact O-CB 3.23Å; D21-C24 PolarHBondContact O-N 2.79Å; Q22-C24 VanDerWaalsContact C-N 3.31Å; C24-V42 VanDerWaalsContact O-CA 3.27Å; C24-V42 WeakPolarHBondContact O-CA 3.37Å; C24-G43 WeakPolarHBondContact CB-O 3.37Å; C24-G43 PolarHBondContact O-N 3.45Å; C24-G43 PolarHBondContact SG-O 2.97Å; C24-L348 HydrophobicContact CB-CD2 4.05Å |
| 25 | L | 97.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.2 | -176.3 | -179.5 | 65.8 | 0 | 0 | 0 | 112.2 | I40 V42 A332 R334 V346 L348 L354 | L25-I40 HydrophobicContact CD1-CG2 3.68Å; L25-V42 HydrophobicContact CD1-CG2 3.99Å; L25-A332 HydrophobicContact CB-CB 3.6Å; L25-A332 HydrophobicContact CD2-CB 3.83Å; L25-A332 HydrophobicContact CG-CB 4.33Å; L25-R334 HydrophobicContact CD2-CB 4.38Å; L25-R334 HydrophobicContact CD2-CG 3.93Å; L25-R334 HydrophobicContact CG-CG 4.02Å; L25-R334 PolarHBondContact O-NE 3.36Å; L25-R334 PolarHBondContact O-NH2 3.48Å; L25-V346 HydrophobicContact CD1-CG1 4.19Å; L25-V346 HydrophobicContact CD2-CG1 4.28Å; L25-L348 HydrophobicContact CB-CB 4.25Å; L25-L348 HydrophobicContact CB-CD2 3.93Å; L25-L348 HydrophobicContact CD2-CB 3.97Å; L25-L348 HydrophobicContact CG-CB 4.48Å; L25-L354 HydrophobicContact CD1-CD1 4.1Å |
| 26 | C | 96.9 | Very high | 91.5 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.8 | 173.1 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | I41 V81 | C26-I41 HydrophobicContact CB-CB 4.31Å; C26-I41 HydrophobicContact CB-CD1 4.39Å; C26-I41 PolarHBondContact N-O 3.04Å; C26-I41 PolarHBondContact O-N 3.37Å; C26-V81 HydrophobicContact CB-CG1 4.47Å |
| 27 | L | 95.6 | Very high | 91.7 | Very high | 28 Ų | 28 | 43 Ų | 43 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.1 | 171.8 | -69.6 | -172.7 | 0 | 0 | 0 | 108.9 | D38 K39 I40 R334 V346 | L27-D38 HydrophobicContact CB-CB 4.42Å; L27-K39 WeakPolarHBondContact CA-O 3.22Å; L27-I40 HydrophobicContact CD2-CB 4.01Å; L27-I40 HydrophobicContact CD2-CG1 3.7Å; L27-I40 HydrophobicContact CD2-CG2 4.07Å; L27-R334 HydrophobicContact CB-CB 4.4Å; L27-R334 HydrophobicContact CD1-CB 3.44Å; L27-R334 VanDerWaalsContact CD1-CB 3.44Å; L27-R334 HydrophobicContact CD1-CG 4.5Å; L27-R334 HydrophobicContact CG-CB 3.66Å; L27-R334 HydrophobicContact CG-CG 4.22Å; L27-V346 HydrophobicContact CD1-CB 4.1Å; L27-V346 HydrophobicContact CD1-CG2 3.7Å; L27-V346 HydrophobicContact CD2-CG2 4.25Å |
| 28 | A | 94 | Very high | 92.1 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 166.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V30 K39 V83 | A28-V30 PolarHBondContact O-N 2.82Å; A28-K39 PolarHBondContact N-O 3.39Å; A28-K39 PolarHBondContact O-N 2.95Å; A28-V83 HydrophobicContact CB-CB 3.6Å; A28-V83 HydrophobicContact CB-CG1 3.58Å; A28-V83 HydrophobicContact CB-CG2 3.94Å |
| 29 | N | 94.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 34.8 Ų | 34.8 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | trans | -78.1 | 62.7 | 171.1 | -170.8 | 24.1 | 0 | 0 | 0 | 111.9 | D31 N32 S33 Q37 L93 | N29-D31 VanDerWaalsContact C-N 3.33Å; N29-D31 PolarHBondContact O-N 3.32Å; N29-D31 PolarHBondContact OD1-OD1 3.14Å; N29-N32 WeakPolarHBondContact O-CA 3.13Å; N29-N32 PolarHBondContact O-N 2.86Å; N29-S33 PolarHBondContact ND2-N 3.46Å; N29-S33 PolarHBondContact ND2-O 2.86Å; N29-S33 PolarHBondContact OD1-N 3.49Å; N29-S33 VanDerWaalsContact OD1-N 3.15Å; N29-S33 PolarHBondContact OD1-OG 3.16Å; N29-Q37 PolarHBondContact OD1-O 3.4Å; N29-L93 HydrophobicContact CB-CD1 4.5Å | ||
| 30 | V | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -27.3 | -168.9 | 66.7 | 0 | 0 | 0 | 0 | 115 | A28 N32 K39 I41 I51 V83 L95 V108 | A28-V30 PolarHBondContact O-N 2.82Å; V30-N32 VanDerWaalsContact C-N 3.26Å; V30-N32 PolarHBondContact O-ND2 3.35Å; V30-K39 HydrophobicContact CG1-CB 4.24Å; V30-K39 HydrophobicContact CG1-CD 4.11Å; V30-I41 HydrophobicContact CB-CD1 3.81Å; V30-I41 HydrophobicContact CG1-CD1 3.95Å; V30-I41 HydrophobicContact CG1-CG1 4.21Å; V30-I41 HydrophobicContact CG2-CD1 4.09Å; V30-I51 HydrophobicContact CG1-CD1 4.18Å; V30-I51 HydrophobicContact CG1-CG2 4.15Å; V30-V83 HydrophobicContact CB-CG1 4.46Å; V30-V83 HydrophobicContact CB-CG2 4.24Å; V30-V83 HydrophobicContact CG2-CG1 4.46Å; V30-V83 HydrophobicContact CG2-CG2 3.99Å; V30-L95 HydrophobicContact CG2-CB 3.98Å; V30-L95 HydrophobicContact CG2-CD1 4.24Å; V30-V108 HydrophobicContact CG2-CB 4.1Å; V30-V108 HydrophobicContact CG2-CG2 3.82Å |
| 31 | D | 91.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.1 | 174.3 | 70.4 | -23.2 | 0 | 0 | 0 | 112.7 | N29 S33 K39 | N29-D31 VanDerWaalsContact C-N 3.33Å; N29-D31 PolarHBondContact O-N 3.32Å; N29-D31 PolarHBondContact OD1-OD1 3.14Å; D31-S33 PolarHBondContact O-N 3.1Å; D31-S33 PolarHBondContact OD1-N 3.34Å; D31-S33 VanDerWaalsContact OD1-N 3.14Å; D31-S33 PolarHBondContact OD1-OG 2.87Å; D31-S33 WeakPolarHBondContact OD2-CB 3.42Å; D31-K39 HydrophobicContact CB-CD 4.37Å; D31-K39 VanDerWaalsContact OD1-CE 3.25Å; D31-K39 WeakPolarHBondContact OD1-CE 3.47Å; D31-K39 IonicContact OD1-NZ 3.25Å; D31-K39 PolarHBondContact OD1-NZ 3.38Å; D31-K39 WeakPolarHBondContact OD2-CE 3.2Å; D31-K39 IonicContact OD2-NZ 2.7Å; D31-K39 PolarHBondContact OD2-NZ 2.59Å |
| 32 | N | 91.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 26 Ų | 26 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | trans | 54.8 | 35.8 | -177 | -59.3 | -93.1 | 0 | 0 | 0 | 113.6 | N29 V30 M92 L93 | N29-N32 WeakPolarHBondContact O-CA 3.13Å; N29-N32 PolarHBondContact O-N 2.86Å; V30-N32 VanDerWaalsContact C-N 3.26Å; V30-N32 PolarHBondContact O-ND2 3.35Å; N32-M92 HydrophobicContact CB-CE 3.26Å; N32-M92 HydrophobicContact CB-SD 4.2Å; N32-L93 PolarHBondContact ND2-O 3Å; N32-L93 WeakPolarHBondContact OD1-CB 3.31Å; N32-L93 PolarHBondContact OD1-N 2.66Å | ||
| 33 | S | 88 | Confident | 92.6 | Very high | 29 Ų | 29 | 23.6 Ų | 23.6 | 20% | 0.203 | 17% | 0.165 | C | C | . | . | trans | -65.7 | 144.6 | 179.2 | 57 | 0 | 0 | 0 | 0 | 112 | N29 D31 N35 G36 K39 | N29-S33 PolarHBondContact ND2-N 3.46Å; N29-S33 PolarHBondContact ND2-O 2.86Å; N29-S33 PolarHBondContact OD1-N 3.49Å; N29-S33 VanDerWaalsContact OD1-N 3.15Å; N29-S33 PolarHBondContact OD1-OG 3.16Å; D31-S33 PolarHBondContact O-N 3.1Å; D31-S33 PolarHBondContact OD1-N 3.34Å; D31-S33 VanDerWaalsContact OD1-N 3.14Å; D31-S33 PolarHBondContact OD1-OG 2.87Å; D31-S33 WeakPolarHBondContact OD2-CB 3.42Å; S33-N35 WeakPolarHBondContact CB-OD1 2.98Å; S33-N35 PolarHBondContact O-N 3.4Å; S33-N35 VanDerWaalsContact O-N 3.12Å; S33-N35 PolarHBondContact OG-OD1 3.36Å; S33-G36 PolarHBondContact O-N 2.75Å; S33-K39 PolarHBondContact OG-NZ 3.45Å | ||
| 34 | G | 81.8 | Confident | 92.8 | Very high | 94 Ų | 94 | 23.1 Ų | 23.1 | 97% | 0.969 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G36 | G34-G36 VanDerWaalsContact C-N 3.35Š|
| 35 | N | 82.3 | Confident | 92.8 | Very high | 94 Ų | 94 | 25.3 Ų | 25.3 | 50% | 0.503 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17.6 | 175.8 | 66.4 | -2.9 | 0 | 0 | 0 | 113.2 | S33 Q37 | S33-N35 WeakPolarHBondContact CB-OD1 2.98Å; S33-N35 PolarHBondContact O-N 3.4Å; S33-N35 VanDerWaalsContact O-N 3.12Å; S33-N35 PolarHBondContact OG-OD1 3.36Å; N35-Q37 HydrophobicContact CB-CG 4.32Å; N35-Q37 PolarHBondContact ND2-OE1 3.31Å; N35-Q37 PolarHBondContact O-N 3.04Å; N35-Q37 PolarHBondContact OD1-N 3Å; N35-Q37 VanDerWaalsContact OD1-N 3.17Å |
| 36 | G | 82.9 | Confident | 92.6 | Very high | 45 Ų | 45 | 29.8 Ų | 29.8 | 46% | 0.464 | 19% | 0.192 | S | C | . | . | trans | 65.7 | 19.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | S33 G34 | S33-G36 PolarHBondContact O-N 2.75Å; G34-G36 VanDerWaalsContact C-N 3.35Å | ||
| 37 | Q | 88.5 | Confident | 92.5 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | trans | -79.6 | 140.9 | 177.8 | -68.8 | -175.2 | -12.1 | 0 | 0 | 111 | N29 N35 D340 | N29-Q37 PolarHBondContact OD1-O 3.4Å; N35-Q37 HydrophobicContact CB-CG 4.32Å; N35-Q37 PolarHBondContact ND2-OE1 3.31Å; N35-Q37 PolarHBondContact O-N 3.04Å; N35-Q37 PolarHBondContact OD1-N 3Å; N35-Q37 VanDerWaalsContact OD1-N 3.17Å; Q37-D340 PolarHBondContact NE2-OD1 2.95Å | ||
| 38 | D | 93.1 | Very high | 92.5 | Very high | 37 Ų | 37 | 31.8 Ų | 31.8 | 20% | 0.198 | 20% | 0.197 | C | C | . | . | trans | -73.6 | 149 | 178.5 | -64 | -42.4 | 0 | 0 | 0 | 110.9 | L27 G336 C337 L338 | L27-D38 HydrophobicContact CB-CB 4.42Å; D38-G336 WeakPolarHBondContact OD2-CA 3.37Å; D38-C337 PolarHBondContact N-O 3.22Å; D38-C337 PolarHBondContact OD2-N 2.89Å; D38-L338 HydrophobicContact CB-CD2 4Å; D38-L338 VanDerWaalsContact O-CD2 3.23Å; D38-L338 WeakPolarHBondContact O-CD2 3.46Å | ||
| 39 | K | 94.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 145.7 | 172 | -67.9 | 168.7 | -179.5 | 77.6 | 0 | 108.8 | L27 A28 V30 D31 S33 I51 F52 L69 | L27-K39 WeakPolarHBondContact CA-O 3.22Å; A28-K39 PolarHBondContact N-O 3.39Å; A28-K39 PolarHBondContact O-N 2.95Å; V30-K39 HydrophobicContact CG1-CB 4.24Å; V30-K39 HydrophobicContact CG1-CD 4.11Å; D31-K39 HydrophobicContact CB-CD 4.37Å; D31-K39 VanDerWaalsContact OD1-CE 3.25Å; D31-K39 WeakPolarHBondContact OD1-CE 3.47Å; D31-K39 IonicContact OD1-NZ 3.25Å; D31-K39 PolarHBondContact OD1-NZ 3.38Å; D31-K39 WeakPolarHBondContact OD2-CE 3.2Å; D31-K39 IonicContact OD2-NZ 2.7Å; D31-K39 PolarHBondContact OD2-NZ 2.59Å; S33-K39 PolarHBondContact OG-NZ 3.45Å; K39-I51 HydrophobicContact CB-CG2 4.04Å; K39-F52 CarbonylContact C-O 3.45Å; K39-F52 WeakPolarHBondContact CA-O 3.44Å; K39-F52 WeakPolarHBondContact CB-O 3.46Å; K39-L69 HydrophobicContact CD-CD1 3.73Å; K39-L69 HydrophobicContact CG-CD1 4.35Å |
| 40 | I | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.8 | -180 | -44.4 | -178.6 | 0 | 0 | 0 | 108.7 | W10 L25 L27 V42 I51 F52 P54 L338 V346 L354 C356 | W10-I40 HydrophobicContact CE3-CD1 4.24Å; W10-I40 HydrophobicContact CZ3-CD1 3.84Å; L25-I40 HydrophobicContact CD1-CG2 3.68Å; L27-I40 HydrophobicContact CD2-CB 4.01Å; L27-I40 HydrophobicContact CD2-CG1 3.7Å; L27-I40 HydrophobicContact CD2-CG2 4.07Å; I40-V42 HydrophobicContact CG2-CG2 4.04Å; I40-I51 CarbonylContact O-C 3.56Å; I40-I51 VanDerWaalsContact O-CA 3.32Å; I40-I51 WeakPolarHBondContact O-CA 3.46Å; I40-F52 HydrophobicContact CB-CB 4.21Å; I40-F52 PolarHBondContact N-O 2.61Å; I40-F52 PolarHBondContact O-N 2.83Å; I40-P54 HydrophobicContact CD1-CG 3.57Å; I40-P54 HydrophobicContact CG1-CG 4.2Å; I40-L338 HydrophobicContact CD1-CD1 4.16Å; I40-L338 HydrophobicContact CG1-CD1 4.44Å; I40-L338 HydrophobicContact CG1-CD2 4.35Å; I40-V346 HydrophobicContact CD1-CG1 4.08Å; I40-V346 HydrophobicContact CG2-CG1 4.19Å; I40-L354 HydrophobicContact CG2-CD1 4.04Å; I40-L354 HydrophobicContact CG2-CD2 4.05Å; I40-C356 WeakPolarHBondContact CD1-SG 3.46Å |
| 41 | I | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.8 | 179.9 | -52.6 | 150 | 0 | 0 | 0 | 107.5 | C26 V30 L49 R50 I51 V81 V83 L95 | C26-I41 HydrophobicContact CB-CB 4.31Å; C26-I41 HydrophobicContact CB-CD1 4.39Å; C26-I41 PolarHBondContact N-O 3.04Å; C26-I41 PolarHBondContact O-N 3.37Å; V30-I41 HydrophobicContact CB-CD1 3.81Å; V30-I41 HydrophobicContact CG1-CD1 3.95Å; V30-I41 HydrophobicContact CG1-CG1 4.21Å; V30-I41 HydrophobicContact CG2-CD1 4.09Å; I41-L49 HydrophobicContact CG2-CD1 3.93Å; I41-R50 WeakPolarHBondContact CA-O 3.45Å; I41-I51 HydrophobicContact CG1-CG1 4.25Å; I41-I51 HydrophobicContact CG1-CG2 4.17Å; I41-I51 HydrophobicContact CG2-CG1 4.2Å; I41-V81 HydrophobicContact CG2-CG1 3.67Å; I41-V83 HydrophobicContact CD1-CG2 3.49Å; I41-V83 VanDerWaalsContact CD1-CG2 3.49Å; I41-L95 HydrophobicContact CD1-CD1 4.14Å; I41-L95 HydrophobicContact CG2-CD1 4.08Å; I41-L95 HydrophobicContact CG2-CD2 4.46Å |
| 42 | V | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.1 | 179.9 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | L14 F20 C24 L25 I40 R50 L348 L354 | L14-V42 HydrophobicContact CD1-CB 4.03Å; L14-V42 HydrophobicContact CD1-CG1 3.64Å; L14-V42 HydrophobicContact CD1-CG2 4.1Å; F20-V42 HydrophobicContact CD1-CG1 3.66Å; F20-V42 HydrophobicContact CE1-CG1 3.59Å; C24-V42 VanDerWaalsContact O-CA 3.27Å; C24-V42 WeakPolarHBondContact O-CA 3.37Å; L25-V42 HydrophobicContact CD1-CG2 3.99Å; I40-V42 HydrophobicContact CG2-CG2 4.04Å; V42-R50 PolarHBondContact N-O 3.08Å; V42-R50 PolarHBondContact O-N 3.2Å; V42-L348 HydrophobicContact CG1-CD1 4.27Å; V42-L348 HydrophobicContact CG1-CD2 3.71Å; V42-L354 HydrophobicContact CG2-CD1 4.23Å; V42-L354 HydrophobicContact CG2-CD2 4.06Å |
| 43 | G | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F20 C24 Y48 | F20-G43 VanDerWaalsContact CD1-O 3.31Å; F20-G43 WeakPolarHBondContact CD1-O 3.45Å; C24-G43 WeakPolarHBondContact CB-O 3.37Å; C24-G43 PolarHBondContact O-N 3.45Å; C24-G43 PolarHBondContact SG-O 2.97Å; G43-Y48 CarbonylContact C-O 3.57Å; G43-Y48 WeakPolarHBondContact CA-O 3.48Å |
| 44 | S | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -113.1 | 150.3 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | E18 M46 G47 Y48 V78 | E18-S44 WeakPolarHBondContact OE2-CB 3.43Å; E18-S44 PolarHBondContact OE2-OG 2.88Å; S44-M46 PolarHBondContact O-N 3.43Å; S44-M46 PolarHBondContact OG-N 3.43Å; S44-M46 VanDerWaalsContact OG-N 3.09Å; S44-G47 PolarHBondContact O-N 3.47Å; S44-Y48 WeakPolarHBondContact CB-O 3.34Å; S44-Y48 PolarHBondContact N-O 3.27Å; S44-V78 WeakPolarHBondContact O-CB 3.3Å; S44-V78 PolarHBondContact O-N 2.88Å | ||
| 45 | F | 96.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 25.8 Ų | 25.8 | 20% | 0.202 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.7 | 169 | -72.1 | -5.5 | 0 | 0 | 0 | 113.3 | E19 D21 G47 P77 V78 L79 | E19-F45 HydrophobicContact CB-CB 4.27Å; E19-F45 HydrophobicContact CB-CD2 4.08Å; E19-F45 HydrophobicContact CG-CD2 3.76Å; E19-F45 HydrophobicContact CG-CE2 4.3Å; E19-F45 WeakPolarHBondContact O-CB 3.45Å; E19-F45 PolarHBondContact O-N 2.99Å; D21-F45 HydrophobicContact CB-CE1 4.07Å; D21-F45 HydrophobicContact CB-CE2 4.22Å; D21-F45 HydrophobicContact CB-CZ 3.48Å; D21-F45 VanDerWaalsContact CB-CZ 3.48Å; F45-G47 VanDerWaalsContact C-N 3.28Å; F45-P77 VanDerWaalsContact O-CA 3.3Å; F45-P77 WeakPolarHBondContact O-CA 3.4Å; F45-P77 WeakPolarHBondContact O-CB 3.48Å; F45-P77 VanDerWaalsContact O-CG 3.28Å; F45-P77 WeakPolarHBondContact O-CG 3.3Å; F45-V78 VanDerWaalsContact CD1-O 3.32Å; F45-V78 WeakPolarHBondContact CD1-O 3.47Å; F45-L79 HydrophobicContact CD1-CD2 4.47Å; F45-L79 HydrophobicContact CE1-CD2 4.02Å |
| 46 | M | 94 | Very high | 93.1 | Very high | 96 Ų | 96 | 22.3 Ų | 22.3 | 47% | 0.473 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4.3 | 171.2 | -58.8 | -58.1 | 144.8 | 0 | 0 | 113.3 | E18 S44 Y48 | E18-M46 HydrophobicContact CB-CG 4.47Å; E18-M46 HydrophobicContact CG-CG 4.14Å; S44-M46 PolarHBondContact O-N 3.43Å; S44-M46 PolarHBondContact OG-N 3.43Å; S44-M46 VanDerWaalsContact OG-N 3.09Å; M46-Y48 HydrophobicContact CB-CD2 3.97Å; M46-Y48 HydrophobicContact CB-CE2 4.17Å |
| 47 | G | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 95.9 | -3.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S44 F45 L74 D76 | S44-G47 PolarHBondContact O-N 3.47Å; F45-G47 VanDerWaalsContact C-N 3.28Å; G47-L74 WeakPolarHBondContact O-CB 2.94Å; G47-L74 PolarHBondContact O-N 3.48Å; G47-D76 VanDerWaalsContact CA-O 3.28Å; G47-D76 WeakPolarHBondContact CA-O 3.34Å |
| 48 | Y | 96.6 | Very high | 91.7 | Very high | 80 Ų | 80 | 31.1 Ų | 31.1 | 31% | 0.314 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.3 | 173.9 | -64.1 | -69.5 | 0 | 0 | 0 | 111.5 | G43 S44 M46 E71 V72 D73 | G43-Y48 CarbonylContact C-O 3.57Å; G43-Y48 WeakPolarHBondContact CA-O 3.48Å; S44-Y48 WeakPolarHBondContact CB-O 3.34Å; S44-Y48 PolarHBondContact N-O 3.27Å; M46-Y48 HydrophobicContact CB-CD2 3.97Å; M46-Y48 HydrophobicContact CB-CE2 4.17Å; Y48-E71 HydrophobicContact CD1-CG 4.45Å; Y48-V72 WeakPolarHBondContact CA-O 3.08Å; Y48-D73 HydrophobicContact CD1-CB 4.09Å; Y48-D73 HydrophobicContact CE1-CB 3.96Å |
| 49 | L | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.6 | 169.7 | 178.2 | 71 | 0 | 0 | 0 | 108.8 | I41 E71 V72 L74 V81 L95 V97 M123 | I41-L49 HydrophobicContact CG2-CD1 3.93Å; L49-E71 WeakPolarHBondContact O-CA 3.31Å; L49-V72 PolarHBondContact N-O 2.87Å; L49-V72 PolarHBondContact O-N 3.48Å; L49-L74 HydrophobicContact CB-CD1 3.96Å; L49-L74 HydrophobicContact CB-CG 4.38Å; L49-L74 HydrophobicContact CD2-CD1 4.11Å; L49-V81 HydrophobicContact CD1-CG2 4.14Å; L49-L95 HydrophobicContact CD1-CD2 4.43Å; L49-L95 HydrophobicContact CD2-CD2 3.73Å; L49-V97 HydrophobicContact CD2-CG2 4.13Å; L49-M123 HydrophobicContact CD2-CE 4.09Å; L49-M123 HydrophobicContact CD2-SD 3.49Å; L49-M123 WeakPolarHBondContact CD2-SD 3.18Å |
| 50 | R | 96 | Very high | 89.2 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 3% | 0.034 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.2 | -177.1 | -62.4 | 174.7 | 179.5 | 99.5 | 5.1 | 110.4 | E18 I41 V42 F52 L68 L70 E71 | E18-R50 VanDerWaalsContact CD-NH1 3.31Å; E18-R50 IonicContact OE1-CZ 3.74Å; E18-R50 VanDerWaalsContact OE1-CZ 3.27Å; E18-R50 IonicContact OE1-NH1 3.49Å; E18-R50 PolarHBondContact OE1-NH1 3.18Å; E18-R50 VanDerWaalsContact OE1-NH1 3.07Å; E18-R50 IonicContact OE1-NH2 3.39Å; E18-R50 PolarHBondContact OE1-NH2 3.38Å; E18-R50 IonicContact OE2-CZ 2.84Å; E18-R50 IonicContact OE2-NH1 2.8Å; E18-R50 PolarHBondContact OE2-NH1 3.22Å; E18-R50 IonicContact OE2-NH2 3.39Å; I41-R50 WeakPolarHBondContact CA-O 3.45Å; V42-R50 PolarHBondContact N-O 3.08Å; V42-R50 PolarHBondContact O-N 3.2Å; R50-F52 HydrophobicContact CB-CD2 4.28Å; R50-F52 HydrophobicContact CB-CE2 3.52Å; R50-F52 HydrophobicContact CB-CZ 4Å; R50-F52 HydrophobicContact CG-CE2 4.42Å; R50-L68 HydrophobicContact CB-CD1 4.17Å; R50-L68 HydrophobicContact CG-CD1 4.43Å; R50-L70 WeakPolarHBondContact CA-O 3.43Å; R50-E71 HydrophobicContact CG-CB 4.26Å; R50-E71 HydrophobicContact CG-CG 3.97Å; R50-E71 IonicContact CZ-OE2 3.27Å; R50-E71 IonicContact NE-OE2 2.81Å; R50-E71 PolarHBondContact NE-OE2 2.89Å; R50-E71 IonicContact NH2-OE2 2.63Å; R50-E71 PolarHBondContact NH2-OE2 2.83Å |
| 51 | I | 95.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125 | 171.6 | -51.8 | -176.2 | 0 | 0 | 0 | 108.3 | V30 K39 I40 I41 L69 L70 L95 V108 | V30-I51 HydrophobicContact CG1-CD1 4.18Å; V30-I51 HydrophobicContact CG1-CG2 4.15Å; K39-I51 HydrophobicContact CB-CG2 4.04Å; I40-I51 CarbonylContact O-C 3.56Å; I40-I51 VanDerWaalsContact O-CA 3.32Å; I40-I51 WeakPolarHBondContact O-CA 3.46Å; I41-I51 HydrophobicContact CG1-CG1 4.25Å; I41-I51 HydrophobicContact CG1-CG2 4.17Å; I41-I51 HydrophobicContact CG2-CG1 4.2Å; I51-L69 HydrophobicContact CB-CB 4.47Å; I51-L69 HydrophobicContact CG2-CD1 4.06Å; I51-L69 WeakPolarHBondContact O-CB 3.41Å; I51-L69 PolarHBondContact O-N 2.87Å; I51-L70 HydrophobicContact CB-CG 4.09Å; I51-L70 HydrophobicContact CD1-CD1 4.22Å; I51-L70 HydrophobicContact CD1-CD2 3.76Å; I51-L70 HydrophobicContact CD1-CG 4.05Å; I51-L70 HydrophobicContact CG1-CD1 4.01Å; I51-L70 HydrophobicContact CG1-CD2 4.24Å; I51-L70 HydrophobicContact CG1-CG 3.96Å; I51-L70 PolarHBondContact N-O 3.49Å; I51-L70 PolarHBondContact O-N 3.42Å; I51-L95 HydrophobicContact CD1-CD2 4.38Å; I51-V108 HydrophobicContact CD1-CG1 4.02Å; I51-V108 HydrophobicContact CD1-CG2 3.91Å |
| 52 | F | 93.9 | Very high | 86.4 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 145.3 | 177.6 | -57.3 | -93.3 | 0 | 0 | 0 | 111.3 | W10 T12 L14 K39 I40 R50 D67 L68 L354 | W10-F52 HydrophobicContact CH2-CB 4.03Å; W10-F52 AromaticContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD1 3.72Å; W10-F52 HydrophobicContact CH2-CD2 4.39Å; W10-F52 HydrophobicContact CH2-CE1 4.22Å; W10-F52 AromaticContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CH2-CG 3.8Å; W10-F52 HydrophobicContact CZ2-CB 4.42Å; W10-F52 AromaticContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CD1 3.82Å; W10-F52 HydrophobicContact CZ2-CE1 4.38Å; W10-F52 HydrophobicContact CZ2-CG 4.28Å; T12-F52 HydrophobicContact CG2-CE1 4.41Å; T12-F52 HydrophobicContact CG2-CZ 4.39Å; L14-F52 HydrophobicContact CD2-CE2 3.66Å; L14-F52 HydrophobicContact CD2-CZ 3.43Å; L14-F52 VanDerWaalsContact CD2-CZ 3.43Å; K39-F52 CarbonylContact C-O 3.45Å; K39-F52 WeakPolarHBondContact CA-O 3.44Å; K39-F52 WeakPolarHBondContact CB-O 3.46Å; I40-F52 HydrophobicContact CB-CB 4.21Å; I40-F52 PolarHBondContact N-O 2.61Å; I40-F52 PolarHBondContact O-N 2.83Å; R50-F52 HydrophobicContact CB-CD2 4.28Å; R50-F52 HydrophobicContact CB-CE2 3.52Å; R50-F52 HydrophobicContact CB-CZ 4Å; R50-F52 HydrophobicContact CG-CE2 4.42Å; F52-D67 CarbonylContact C-O 3.51Å; F52-D67 WeakPolarHBondContact CA-O 3.41Å; F52-D67 WeakPolarHBondContact CB-O 3.43Å; F52-L68 HydrophobicContact CD1-CB 4.06Å; F52-L68 HydrophobicContact CD1-CD1 3.85Å; F52-L68 HydrophobicContact CE1-CB 3.97Å; F52-L68 HydrophobicContact CE1-CD1 3.4Å; F52-L68 VanDerWaalsContact CE1-CD1 3.4Å; F52-L68 HydrophobicContact CE1-CG 4.24Å; F52-L68 HydrophobicContact CE2-CD1 4.23Å; F52-L68 HydrophobicContact CG-CD1 4.44Å; F52-L68 HydrophobicContact CZ-CD1 3.61Å; F52-L354 HydrophobicContact CD2-CD2 4Å; F52-L354 HydrophobicContact CE2-CD2 4.01Å |
| 53 | S | 91.9 | Very high | 85.4 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | trans | -125.1 | 93.1 | 163.5 | -165.2 | 0 | 0 | 0 | 0 | 106.6 | H55 D67 | S53-H55 PolarHBondContact O-CE1 3.4Å; S53-H55 PolarHBondContact O-ND1 3.4Å; S53-H55 PolarHBondContact OG-CE1 3.46Å; S53-D67 PolarHBondContact N-O 3.22Å | ||
| 54 | P | 90.6 | Very high | 84.7 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | trans | -67.3 | 130.7 | -177.4 | -23.8 | 35 | 0 | 0 | 0 | 113.2 | W9 W10 I40 | W9-P54 HydrophobicContact CZ3-CB 4.35Å; W10-P54 HydrophobicContact CB-CB 4.15Å; W10-P54 HydrophobicContact CD2-CB 3.68Å; W10-P54 HydrophobicContact CD2-CG 3.76Å; W10-P54 HydrophobicContact CE3-CB 4.18Å; W10-P54 HydrophobicContact CE3-CG 3.78Å; W10-P54 HydrophobicContact CG-CB 3.66Å; W10-P54 HydrophobicContact CG-CG 4.27Å; W10-P54 HydrophobicContact CH2-CG 4.3Å; W10-P54 HydrophobicContact CZ2-CG 4.29Å; W10-P54 HydrophobicContact CZ3-CG 4.05Å; I40-P54 HydrophobicContact CD1-CG 3.57Å; I40-P54 HydrophobicContact CG1-CG 4.2Å | ||
| 55 | H | 85.4 | Confident | 84 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 38% | 0.384 | 31% | 0.314 | S | S | . | . | trans | -134.3 | 65.8 | 175.5 | -56.4 | 91.8 | 0 | 0 | 0 | 111.5 | S53 A57 D67 H339 | S53-H55 PolarHBondContact O-CE1 3.4Å; S53-H55 PolarHBondContact O-ND1 3.4Å; S53-H55 PolarHBondContact OG-CE1 3.46Å; H55-A57 PolarHBondContact O-N 2.92Å; H55-D67 PolarHBondContact N-OD1 2.96Å; H55-H339 AromaticContact CD2-CE1 3.68Å; H55-H339 AromaticContact CD2-ND1 3.26Å; H55-H339 PolarHBondContact CD2-ND1 2.72Å; H55-H339 VanDerWaalsContact CD2-ND1 3.26Å | ||
| 56 | P | 80.7 | Confident | 83.4 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 14% | 0.143 | 33% | 0.328 | C | S | . | . | trans | -65.6 | 126.6 | -175.3 | 27.2 | -34.3 | 0 | 0 | 0 | 111.9 | W9 W10 K58 | W9-P56 HydrophobicContact CD2-CG 4.09Å; W9-P56 HydrophobicContact CE3-CG 4.37Å; W9-P56 HydrophobicContact CH2-CG 4.23Å; W9-P56 HydrophobicContact CZ2-CG 3.9Å; W9-P56 HydrophobicContact CZ3-CG 4.44Å; W10-P56 HydrophobicContact CB-CG 4.37Å; P56-K58 VanDerWaalsContact C-N 3.34Å | ||
| 57 | A | 70.7 | Confident | 83.2 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 79% | 0.785 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -68.2 | -34 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | H55 | H55-A57 PolarHBondContact O-N 2.92Š|
| 58 | K | 70.9 | Confident | 83.1 | Confident | 152 Ų | 152 | 53.9 Ų | 53.9 | 66% | 0.661 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -134.4 | 148.3 | 169.4 | -63.2 | 177.6 | -177.9 | 170.9 | 0 | 109.4 | P56 G60 D61 | P56-K58 VanDerWaalsContact C-N 3.34Å; K58-G60 PolarHBondContact O-N 3.21Å; K58-D61 WeakPolarHBondContact CB-OD2 3.32Å; K58-D61 WeakPolarHBondContact O-CB 3.48Å; K58-D61 PolarHBondContact O-N 3.16Å |
| 59 | T | 69.6 | Low | 82.8 | Confident | 94 Ų | 94 | 52.8 Ų | 52.8 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 121.1 | 177 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 60 | G | 65.3 | Low | 82.6 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 9.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | W9 K58 | W9-G60 PolarHBondContact O-N 3.1Å; W9-G60 VanDerWaalsContact O-N 3.14Å; K58-G60 PolarHBondContact O-N 3.21Å |
| 61 | D | 65.8 | Low | 82.4 | Confident | 68 Ų | 68 | 57.9 Ų | 57.9 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 139.4 | 160.1 | -87.6 | -20.1 | 0 | 0 | 0 | 108.7 | K58 | K58-D61 WeakPolarHBondContact CB-OD2 3.32Å; K58-D61 WeakPolarHBondContact O-CB 3.48Å; K58-D61 PolarHBondContact O-N 3.16Å |
| 62 | G | 68.7 | Low | 82.4 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 160.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q64 | G62-Q64 PolarHBondContact O-N 3.44Å; G62-Q64 PolarHBondContact O-NE2 2.87Å |
| 63 | A | 77.4 | Confident | 82.4 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 33% | 0.331 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 134.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W10 S11 | W10-A63 HydrophobicContact CZ2-CB 4.03Å; S11-A63 PolarHBondContact O-N 3.42Å |
| 64 | Q | 82.8 | Confident | 82.5 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.514 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -91 | 155.2 | 170.2 | -60.4 | -57.5 | -54.2 | 0 | 0 | 109.6 | G62 E66 D67 | G62-Q64 PolarHBondContact O-N 3.44Å; G62-Q64 PolarHBondContact O-NE2 2.87Å; Q64-E66 PolarHBondContact O-N 3.44Å; Q64-D67 PolarHBondContact N-OD2 3.3Å; Q64-D67 WeakPolarHBondContact O-CB 2.98Å; Q64-D67 PolarHBondContact O-N 3.01Å; Q64-D67 VanDerWaalsContact O-N 3.08Å |
| 65 | A | 82.1 | Confident | 82.6 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 80% | 0.802 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -60.2 | -29.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D67 | A65-D67 VanDerWaalsContact C-N 3.26Å; A65-D67 PolarHBondContact O-N 2.98Å |
| 66 | E | 83.7 | Confident | 83.1 | Confident | 106 Ų | 106 | 73.8 Ų | 73.8 | 50% | 0.495 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -73.4 | -15.8 | 179.9 | -57.7 | -176.2 | 172.4 | 0 | 0 | 113.3 | Q64 L68 | Q64-E66 PolarHBondContact O-N 3.44Å; E66-L68 VanDerWaalsContact C-N 3.26Å; E66-L68 PolarHBondContact O-N 3.43Å |
| 67 | D | 89.5 | Confident | 83.8 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 2% | 0.021 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -69.8 | -26.9 | 178.2 | -63.5 | -40.2 | 0 | 0 | 0 | 111.7 | W10 F52 S53 H55 Q64 A65 L69 | W10-D67 HydrophobicContact CZ2-CB 4.07Å; W10-D67 PolarHBondContact NE1-OD2 2.63Å; F52-D67 CarbonylContact C-O 3.51Å; F52-D67 WeakPolarHBondContact CA-O 3.41Å; F52-D67 WeakPolarHBondContact CB-O 3.43Å; S53-D67 PolarHBondContact N-O 3.22Å; H55-D67 PolarHBondContact N-OD1 2.96Å; Q64-D67 PolarHBondContact N-OD2 3.3Å; Q64-D67 WeakPolarHBondContact O-CB 2.98Å; Q64-D67 PolarHBondContact O-N 3.01Å; Q64-D67 VanDerWaalsContact O-N 3.08Å; A65-D67 VanDerWaalsContact C-N 3.26Å; A65-D67 PolarHBondContact O-N 2.98Å; D67-L69 PolarHBondContact O-N 2.88Å |
| 68 | L | 91.4 | Very high | 85.1 | Confident | 63 Ų | 63 | 70.6 Ų | 70.6 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 106.6 | 178 | -179.9 | 70.3 | 0 | 0 | 0 | 109.9 | R50 F52 E66 L70 E71 | R50-L68 HydrophobicContact CB-CD1 4.17Å; R50-L68 HydrophobicContact CG-CD1 4.43Å; F52-L68 HydrophobicContact CD1-CB 4.06Å; F52-L68 HydrophobicContact CD1-CD1 3.85Å; F52-L68 HydrophobicContact CE1-CB 3.97Å; F52-L68 HydrophobicContact CE1-CD1 3.4Å; F52-L68 VanDerWaalsContact CE1-CD1 3.4Å; F52-L68 HydrophobicContact CE1-CG 4.24Å; F52-L68 HydrophobicContact CE2-CD1 4.23Å; F52-L68 HydrophobicContact CG-CD1 4.44Å; F52-L68 HydrophobicContact CZ-CD1 3.61Å; E66-L68 VanDerWaalsContact C-N 3.26Å; E66-L68 PolarHBondContact O-N 3.43Å; L68-L70 WeakPolarHBondContact CD1-O 3.31Å; L68-E71 HydrophobicContact CD1-CB 4.37Å; L68-E71 HydrophobicContact CD2-CB 4.11Å |
| 69 | L | 90.5 | Very high | 86.3 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -40.8 | 179.4 | -64.5 | -179.1 | 0 | 0 | 0 | 112.5 | K39 I51 D67 C121 | K39-L69 HydrophobicContact CD-CD1 3.73Å; K39-L69 HydrophobicContact CG-CD1 4.35Å; I51-L69 HydrophobicContact CB-CB 4.47Å; I51-L69 HydrophobicContact CG2-CD1 4.06Å; I51-L69 WeakPolarHBondContact O-CB 3.41Å; I51-L69 PolarHBondContact O-N 2.87Å; D67-L69 PolarHBondContact O-N 2.88Å; L69-C121 HydrophobicContact CB-CB 4.18Å; L69-C121 WeakPolarHBondContact O-CB 3.44Å |
| 70 | L | 91.7 | Very high | 87.7 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 150.4 | 174.3 | 67.7 | 90.9 | 0 | 0 | 0 | 111.1 | R50 I51 L68 V72 V108 C121 M123 | R50-L70 WeakPolarHBondContact CA-O 3.43Å; I51-L70 HydrophobicContact CB-CG 4.09Å; I51-L70 HydrophobicContact CD1-CD1 4.22Å; I51-L70 HydrophobicContact CD1-CD2 3.76Å; I51-L70 HydrophobicContact CD1-CG 4.05Å; I51-L70 HydrophobicContact CG1-CD1 4.01Å; I51-L70 HydrophobicContact CG1-CD2 4.24Å; I51-L70 HydrophobicContact CG1-CG 3.96Å; I51-L70 PolarHBondContact N-O 3.49Å; I51-L70 PolarHBondContact O-N 3.42Å; L68-L70 WeakPolarHBondContact CD1-O 3.31Å; L70-V72 HydrophobicContact CD1-CG2 3.85Å; L70-V108 HydrophobicContact CD2-CG1 4.25Å; L70-C121 HydrophobicContact CB-CB 4.43Å; L70-C121 HydrophobicContact CD2-CB 4.14Å; L70-M123 HydrophobicContact CD2-CB 4.38Å |
| 71 | E | 93.3 | Very high | 89.2 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.3 | 166.1 | 177.5 | 173.5 | 103.4 | 0 | 0 | 107.8 | Y48 L49 R50 L68 | Y48-E71 HydrophobicContact CD1-CG 4.45Å; L49-E71 WeakPolarHBondContact O-CA 3.31Å; R50-E71 HydrophobicContact CG-CB 4.26Å; R50-E71 HydrophobicContact CG-CG 3.97Å; R50-E71 IonicContact CZ-OE2 3.27Å; R50-E71 IonicContact NE-OE2 2.81Å; R50-E71 PolarHBondContact NE-OE2 2.89Å; R50-E71 IonicContact NH2-OE2 2.63Å; R50-E71 PolarHBondContact NH2-OE2 2.83Å; L68-E71 HydrophobicContact CD1-CB 4.37Å; L68-E71 HydrophobicContact CD2-CB 4.11Å |
| 72 | V | 94.3 | Very high | 90.8 | Very high | 50 Ų | 50 | 58 Ų | 58 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.9 | -178.1 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | Y48 L49 L70 L74 M123 | Y48-V72 WeakPolarHBondContact CA-O 3.08Å; L49-V72 PolarHBondContact N-O 2.87Å; L49-V72 PolarHBondContact O-N 3.48Å; L70-V72 HydrophobicContact CD1-CG2 3.85Å; V72-L74 HydrophobicContact CG1-CD2 3.97Å; V72-M123 HydrophobicContact CB-CE 4.13Å; V72-M123 HydrophobicContact CG1-CE 3.92Å; V72-M123 HydrophobicContact CG2-CE 4.22Å |
| 73 | D | 94.7 | Very high | 92.1 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 111.1 | 169.3 | 177.3 | 10 | 0 | 0 | 0 | 110.3 | Y48 R75 | Y48-D73 HydrophobicContact CD1-CB 4.09Å; Y48-D73 HydrophobicContact CE1-CB 3.96Å; D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 WeakPolarHBondContact OD1-CA 3.48Å; D73-R75 PolarHBondContact OD1-N 3.49Å |
| 74 | L | 94.5 | Very high | 93 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | trans | -87.2 | 1 | 179 | -62.5 | 178.6 | 0 | 0 | 0 | 113.6 | G47 L49 V72 D76 V78 V97 K102 M123 | G47-L74 WeakPolarHBondContact O-CB 2.94Å; G47-L74 PolarHBondContact O-N 3.48Å; L49-L74 HydrophobicContact CB-CD1 3.96Å; L49-L74 HydrophobicContact CB-CG 4.38Å; L49-L74 HydrophobicContact CD2-CD1 4.11Å; V72-L74 HydrophobicContact CG1-CD2 3.97Å; L74-D76 PolarHBondContact O-N 3.21Å; L74-V78 HydrophobicContact CD1-CG2 4.08Å; L74-V97 HydrophobicContact CD1-CG1 3.87Å; L74-K102 PolarHBondContact O-NZ 3.38Å; L74-M123 HydrophobicContact CD2-CE 3.79Å | ||
| 75 | R | 92 | Very high | 93.6 | Very high | 216 Ų | 216 | 51.8 Ų | 51.8 | 82% | 0.815 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 67.2 | -30.3 | 179.7 | -52.4 | -179.9 | 178.4 | -178.2 | -1.2 | 116.6 | D73 | D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 WeakPolarHBondContact OD1-CA 3.48Å; D73-R75 PolarHBondContact OD1-N 3.49Å |
| 76 | D | 94.7 | Very high | 94.3 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -106 | 144.1 | 178.9 | -64.5 | -43.3 | 0 | 0 | 0 | 110.5 | G47 L74 V78 H99 K102 | G47-D76 VanDerWaalsContact CA-O 3.28Å; G47-D76 WeakPolarHBondContact CA-O 3.34Å; L74-D76 PolarHBondContact O-N 3.21Å; D76-V78 PolarHBondContact O-N 2.86Å; D76-H99 HydrophobicContact CB-CB 4.38Å; D76-H99 PolarHBondContact O-CE1 3.34Å; D76-H99 PolarHBondContact O-ND1 2.94Å; D76-K102 WeakPolarHBondContact OD2-CE 3.32Å; D76-K102 IonicContact OD2-NZ 2.89Å; D76-K102 PolarHBondContact OD2-NZ 2.91Å |
| 77 | P | 96.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 33% | 0.331 | 21% | 0.209 | S | C | . | . | trans | -50.8 | 134.8 | 177.1 | -27.9 | 34 | 0 | 0 | 0 | 113.1 | F45 H99 | F45-P77 VanDerWaalsContact O-CA 3.3Å; F45-P77 WeakPolarHBondContact O-CA 3.4Å; F45-P77 WeakPolarHBondContact O-CB 3.48Å; F45-P77 VanDerWaalsContact O-CG 3.28Å; F45-P77 WeakPolarHBondContact O-CG 3.3Å; P77-H99 WeakPolarHBondContact O-CA 3.38Å; P77-H99 WeakPolarHBondContact O-CB 3.42Å; P77-H99 PolarHBondContact O-ND1 3.33Å | ||
| 78 | V | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 108.5 | 176 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | S44 F45 L74 D76 V81 V97 | S44-V78 WeakPolarHBondContact O-CB 3.3Å; S44-V78 PolarHBondContact O-N 2.88Å; F45-V78 VanDerWaalsContact CD1-O 3.32Å; F45-V78 WeakPolarHBondContact CD1-O 3.47Å; L74-V78 HydrophobicContact CD1-CG2 4.08Å; D76-V78 PolarHBondContact O-N 2.86Å; V78-V81 HydrophobicContact CG1-CG2 3.46Å; V78-V81 VanDerWaalsContact CG1-CG2 3.46Å; V78-V97 HydrophobicContact CB-CG1 4.34Å; V78-V97 HydrophobicContact CG1-CG1 3.63Å; V78-V97 HydrophobicContact CG2-CG1 3.88Å |
| 79 | L | 97.1 | Very high | 95 | Very high | 32 Ų | 32 | 46.5 Ų | 46.5 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -42.5 | -178.6 | -60.6 | -179.4 | 0 | 0 | 0 | 112.5 | F45 L98 A135 | F45-L79 HydrophobicContact CD1-CD2 4.47Å; F45-L79 HydrophobicContact CE1-CD2 4.02Å; L79-L98 PolarHBondContact N-O 2.78Å; L79-A135 HydrophobicContact CD1-CB 4.42Å; L79-A135 WeakPolarHBondContact CD1-O 3.33Å |
| 80 | Q | 98 | Very high | 95 | Very high | 19 Ų | 19 | 46 Ų | 46 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 145.1 | -178.6 | -173.9 | 172.8 | -6.7 | 0 | 0 | 111.3 | G23 E82 L98 M138 | G23-Q80 CarbonylContact O-C 3.59Å; G23-Q80 VanDerWaalsContact O-CA 3.31Å; G23-Q80 WeakPolarHBondContact O-CA 3.43Å; Q80-E82 HydrophobicContact CG-CG 4.27Å; Q80-E82 PolarHBondContact NE2-OE1 3.4Å; Q80-L98 HydrophobicContact CB-CB 4.23Å; Q80-L98 HydrophobicContact CB-CD2 4.34Å; Q80-L98 PolarHBondContact N-O 2.85Å; Q80-L98 PolarHBondContact O-N 3.01Å; Q80-M138 HydrophobicContact CB-CE 4.42Å; Q80-M138 HydrophobicContact CG-CE 4.23Å; Q80-M138 HydrophobicContact CG-CG 4.3Å; Q80-M138 PolarHBondContact NE2-O 2.95Å; Q80-M138 PolarHBondContact OE1-O 2.98Å |
| 81 | V | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.3 | 177.2 | -175 | 0 | 0 | 0 | 0 | 109.7 | G23 C26 I41 L49 V78 L95 A96 | G23-V81 PolarHBondContact O-N 3.23Å; C26-V81 HydrophobicContact CB-CG1 4.47Å; I41-V81 HydrophobicContact CG2-CG1 3.67Å; L49-V81 HydrophobicContact CD1-CG2 4.14Å; V78-V81 HydrophobicContact CG1-CG2 3.46Å; V78-V81 VanDerWaalsContact CG1-CG2 3.46Å; V81-L95 HydrophobicContact CG1-CD1 3.29Å; V81-L95 HydrophobicContact CG1-CG 4.2Å; V81-A96 WeakPolarHBondContact CA-O 3.29Å |
| 82 | E | 97.5 | Very high | 95 | Very high | 35 Ų | 35 | 51.3 Ų | 51.3 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154.5 | 178.2 | -69.9 | -68 | 178.8 | 0 | 0 | 111.2 | Q80 F86 A96 M138 Y140 | Q80-E82 HydrophobicContact CG-CG 4.27Å; Q80-E82 PolarHBondContact NE2-OE1 3.4Å; E82-F86 HydrophobicContact CB-CE2 4.32Å; E82-F86 HydrophobicContact CB-CZ 4.08Å; E82-A96 PolarHBondContact N-O 3.39Å; E82-A96 PolarHBondContact O-N 3.33Å; E82-M138 HydrophobicContact CB-CE 3.83Å; E82-M138 HydrophobicContact CG-CE 3.7Å; E82-Y140 HydrophobicContact CB-CD1 4.12Å; E82-Y140 HydrophobicContact CB-CE1 4.18Å; E82-Y140 HydrophobicContact CG-CD1 4.02Å; E82-Y140 HydrophobicContact CG-CE1 4.13Å; E82-Y140 WeakPolarHBondContact OE2-CE1 3.39Å |
| 83 | V | 97.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124.3 | 177.3 | 177.9 | 0 | 0 | 0 | 0 | 110 | A28 V30 I41 L93 H94 L95 | A28-V83 HydrophobicContact CB-CB 3.6Å; A28-V83 HydrophobicContact CB-CG1 3.58Å; A28-V83 HydrophobicContact CB-CG2 3.94Å; V30-V83 HydrophobicContact CB-CG1 4.46Å; V30-V83 HydrophobicContact CB-CG2 4.24Å; V30-V83 HydrophobicContact CG2-CG1 4.46Å; V30-V83 HydrophobicContact CG2-CG2 3.99Å; I41-V83 HydrophobicContact CD1-CG2 3.49Å; I41-V83 VanDerWaalsContact CD1-CG2 3.49Å; V83-L93 HydrophobicContact CG1-CB 3.76Å; V83-L93 HydrophobicContact CG1-CD1 4.19Å; V83-L93 HydrophobicContact CG1-CG 4.4Å; V83-H94 WeakPolarHBondContact CA-O 3.39Å; V83-L95 HydrophobicContact CG2-CD1 3.66Å |
| 84 | G | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | -177.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F86 H94 | G84-F86 PolarHBondContact O-N 3.23Å; G84-H94 PolarHBondContact N-O 3.03Å; G84-H94 VanDerWaalsContact N-O 3.07Å; G84-H94 PolarHBondContact O-N 3.17Å |
| 85 | K | 96.3 | Very high | 95.4 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | trans | -82.1 | 64.3 | 179.8 | -60 | -176.9 | 179.5 | -172.8 | 0 | 111.5 | E91 L93 D150 Q166 | K85-E91 HydrophobicContact CD-CB 4.34Å; K85-E91 WeakPolarHBondContact CE-O 3.29Å; K85-E91 IonicContact NZ-OE2 2.9Å; K85-E91 PolarHBondContact NZ-OE2 2.85Å; K85-L93 HydrophobicContact CG-CD2 4.38Å; K85-D150 HydrophobicContact CB-CB 4.26Å; K85-D150 WeakPolarHBondContact CB-OD2 3.36Å; K85-D150 PolarHBondContact N-OD2 2.82Å; K85-D150 PolarHBondContact O-N 3.22Å; K85-Q166 PolarHBondContact O-NE2 2.95Å | ||
| 86 | F | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | trans | -86.7 | -0.8 | -170.2 | -56.6 | -46.1 | 0 | 0 | 0 | 115.8 | E82 G84 H94 A96 V105 Y127 Y140 D150 I152 Q166 | E82-F86 HydrophobicContact CB-CE2 4.32Å; E82-F86 HydrophobicContact CB-CZ 4.08Å; G84-F86 PolarHBondContact O-N 3.23Å; F86-H94 HydrophobicContact CB-CB 4.45Å; F86-H94 HydrophobicContact CD2-CB 4.46Å; F86-H94 WeakPolarHBondContact CD2-O 3.24Å; F86-A96 HydrophobicContact CD2-CB 3.57Å; F86-A96 HydrophobicContact CE2-CB 3.41Å; F86-A96 VanDerWaalsContact CE2-CB 3.41Å; F86-A96 HydrophobicContact CG-CB 4.38Å; F86-A96 HydrophobicContact CZ-CB 4.14Å; F86-V105 HydrophobicContact CB-CG1 3.89Å; F86-V105 HydrophobicContact CB-CG2 4.36Å; F86-Y127 VanDerWaalsContact O-CE1 3.25Å; F86-Y127 WeakPolarHBondContact O-CE1 3.44Å; F86-Y127 PolarHBondContact O-OH 3.47Å; F86-Y140 AromaticContact CE1-CD2 3.99Å; F86-Y140 HydrophobicContact CE1-CD2 3.99Å; F86-Y140 AromaticContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CZ-CD1 4.3Å; F86-Y140 HydrophobicContact CZ-CD2 4.21Å; F86-Y140 AromaticContact CZ-CG 3.98Å; F86-Y140 HydrophobicContact CZ-CG 3.98Å; F86-D150 HydrophobicContact CD1-CB 3.94Å; F86-D150 HydrophobicContact CE1-CB 3.82Å; F86-I152 HydrophobicContact CD1-CD1 3.65Å; F86-I152 HydrophobicContact CD1-CG1 3.72Å; F86-I152 HydrophobicContact CD2-CD1 4.46Å; F86-I152 HydrophobicContact CE1-CD1 3.87Å; F86-I152 HydrophobicContact CE1-CG1 3.69Å; F86-I152 HydrophobicContact CG-CD1 3.99Å; F86-I152 HydrophobicContact CZ-CD1 4.35Å; F86-I152 HydrophobicContact CZ-CG1 4.46Å; F86-Q166 WeakPolarHBondContact O-CB 3.41Å; F86-Q166 WeakPolarHBondContact O-CG 3.44Å | ||
| 87 | V | 96 | Very high | 95.8 | Very high | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -117.2 | 135.6 | -178.7 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | T90 H94 V105 M126 Y127 Q166 | V87-T90 HydrophobicContact CB-CG2 3.82Å; V87-T90 HydrophobicContact CG1-CG2 3.85Å; V87-H94 HydrophobicContact CG2-CB 4.32Å; V87-H94 VanDerWaalsContact CG2-CD2 3.46Å; V87-H94 WeakPolarHBondContact CG2-CD2 3.23Å; V87-V105 HydrophobicContact CG2-CG1 4.1Å; V87-M126 HydrophobicContact CG1-CE 4.18Å; V87-M126 HydrophobicContact CG2-CB 4.12Å; V87-M126 HydrophobicContact CG2-CE 4.48Å; V87-M126 HydrophobicContact CG2-CG 4.25Å; V87-Y127 HydrophobicContact CG2-CD1 4.49Å; V87-Y127 HydrophobicContact CG2-CE1 4.08Å; V87-Q166 PolarHBondContact O-NE2 3.01Å |
| 88 | S | 92.7 | Very high | 95.9 | Very high | 59 Ų | 59 | 30.5 Ų | 30.5 | 41% | 0.413 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 144.7 | 177.9 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | T90 Q166 E167 | S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 2.83Å; S88-Q166 VanDerWaalsContact CB-OE1 3.28Å; S88-E167 WeakPolarHBondContact CB-OE1 3.33Å; S88-E167 VanDerWaalsContact CB-OE2 3.26Å; S88-E167 WeakPolarHBondContact CB-OE2 3.41Å; S88-E167 PolarHBondContact N-OE1 3.13Å; S88-E167 PolarHBondContact OG-OE1 3.36Å; S88-E167 PolarHBondContact OG-OE2 3.02Å; S88-E167 VanDerWaalsContact OG-OE2 3.07Å |
| 89 | G | 89.1 | Confident | 95.9 | Very high | 89 Ų | 89 | 30.6 Ų | 30.6 | 92% | 0.918 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -0.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 90 | T | 92.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 31 Ų | 31 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | trans | -135.1 | 146.4 | 174.7 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | V87 S88 M92 H94 | V87-T90 HydrophobicContact CB-CG2 3.82Å; V87-T90 HydrophobicContact CG1-CG2 3.85Å; S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 2.83Å; T90-M92 WeakPolarHBondContact OG1-CB 3.3Å; T90-M92 VanDerWaalsContact OG1-CG 3.24Å; T90-M92 WeakPolarHBondContact OG1-CG 3.32Å; T90-M92 PolarHBondContact OG1-N 2.92Å; T90-H94 VanDerWaalsContact CG2-CE1 3.48Å; T90-H94 WeakPolarHBondContact CG2-CE1 3.31Å | ||
| 91 | E | 91.1 | Very high | 95.9 | Very high | 133 Ų | 133 | 36.4 Ų | 36.4 | 62% | 0.621 | 21% | 0.206 | S | C | * | . | trans | -98.8 | 7.2 | 173 | -68.7 | -156.7 | -157.9 | 0 | 0 | 112.9 | K85 | K85-E91 HydrophobicContact CD-CB 4.34Å; K85-E91 WeakPolarHBondContact CE-O 3.29Å; K85-E91 IonicContact NZ-OE2 2.9Å; K85-E91 PolarHBondContact NZ-OE2 2.85Å | ||
| 92 | M | 93.7 | Very high | 95.8 | Very high | 95 Ų | 95 | 37.8 Ų | 37.8 | 47% | 0.468 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -70 | 149.7 | 176.8 | -60 | -70.9 | -83.5 | 0 | 0 | 110.6 | N32 T90 H94 | N32-M92 HydrophobicContact CB-CE 3.26Å; N32-M92 HydrophobicContact CB-SD 4.2Å; T90-M92 WeakPolarHBondContact OG1-CB 3.3Å; T90-M92 VanDerWaalsContact OG1-CG 3.24Å; T90-M92 WeakPolarHBondContact OG1-CG 3.32Å; T90-M92 PolarHBondContact OG1-N 2.92Å; M92-H94 PolarHBondContact O-CE1 2.79Å; M92-H94 PolarHBondContact O-ND1 3.02Å |
| 93 | L | 95.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 25% | 0.251 | 20% | 0.204 | S | C | . | . | trans | -75 | 136.4 | 175.3 | -60 | -179.8 | 0 | 0 | 0 | 110.4 | N29 N32 V83 K85 | N29-L93 HydrophobicContact CB-CD1 4.5Å; N32-L93 PolarHBondContact ND2-O 3Å; N32-L93 WeakPolarHBondContact OD1-CB 3.31Å; N32-L93 PolarHBondContact OD1-N 2.66Å; V83-L93 HydrophobicContact CG1-CB 3.76Å; V83-L93 HydrophobicContact CG1-CD1 4.19Å; V83-L93 HydrophobicContact CG1-CG 4.4Å; K85-L93 HydrophobicContact CG-CD2 4.38Å | ||
| 94 | H | 97.3 | Very high | 95.8 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.6 | 178.6 | -65.8 | 76.5 | 0 | 0 | 0 | 109.5 | V83 G84 F86 V87 T90 M92 V105 | V83-H94 WeakPolarHBondContact CA-O 3.39Å; G84-H94 PolarHBondContact N-O 3.03Å; G84-H94 VanDerWaalsContact N-O 3.07Å; G84-H94 PolarHBondContact O-N 3.17Å; F86-H94 HydrophobicContact CB-CB 4.45Å; F86-H94 HydrophobicContact CD2-CB 4.46Å; F86-H94 WeakPolarHBondContact CD2-O 3.24Å; V87-H94 HydrophobicContact CG2-CB 4.32Å; V87-H94 VanDerWaalsContact CG2-CD2 3.46Å; V87-H94 WeakPolarHBondContact CG2-CD2 3.23Å; T90-H94 VanDerWaalsContact CG2-CE1 3.48Å; T90-H94 WeakPolarHBondContact CG2-CE1 3.31Å; M92-H94 PolarHBondContact O-CE1 2.79Å; M92-H94 PolarHBondContact O-ND1 3.02Å; H94-V105 HydrophobicContact CB-CG1 3.96Å |
| 95 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.3 | -178.4 | -175.3 | 64.9 | 0 | 0 | 0 | 110.2 | V30 I41 L49 I51 V81 V83 V97 V105 Y106 V108 M123 | V30-L95 HydrophobicContact CG2-CB 3.98Å; V30-L95 HydrophobicContact CG2-CD1 4.24Å; I41-L95 HydrophobicContact CD1-CD1 4.14Å; I41-L95 HydrophobicContact CG2-CD1 4.08Å; I41-L95 HydrophobicContact CG2-CD2 4.46Å; L49-L95 HydrophobicContact CD1-CD2 4.43Å; L49-L95 HydrophobicContact CD2-CD2 3.73Å; I51-L95 HydrophobicContact CD1-CD2 4.38Å; V81-L95 HydrophobicContact CG1-CD1 3.29Å; V81-L95 HydrophobicContact CG1-CG 4.2Å; V83-L95 HydrophobicContact CG2-CD1 3.66Å; L95-V97 HydrophobicContact CD2-CG2 4.24Å; L95-V97 HydrophobicContact CG-CG2 4.07Å; L95-V105 CarbonylContact O-C 3.52Å; L95-V105 WeakPolarHBondContact O-CA 3.17Å; L95-Y106 PolarHBondContact N-O 3.41Å; L95-Y106 PolarHBondContact O-N 3.19Å; L95-V108 HydrophobicContact CB-CG2 4.29Å; L95-V108 HydrophobicContact CD2-CG2 4.21Å; L95-M123 HydrophobicContact CD2-SD 4.47Å |
| 96 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V81 E82 F86 L103 V105 M138 I152 | V81-A96 WeakPolarHBondContact CA-O 3.29Å; E82-A96 PolarHBondContact N-O 3.39Å; E82-A96 PolarHBondContact O-N 3.33Å; F86-A96 HydrophobicContact CD2-CB 3.57Å; F86-A96 HydrophobicContact CE2-CB 3.41Å; F86-A96 VanDerWaalsContact CE2-CB 3.41Å; F86-A96 HydrophobicContact CG-CB 4.38Å; F86-A96 HydrophobicContact CZ-CB 4.14Å; A96-L103 HydrophobicContact CB-CD1 4.29Å; A96-V105 HydrophobicContact CB-CG2 4.15Å; A96-M138 HydrophobicContact CB-CE 3.98Å; A96-I152 HydrophobicContact CB-CD1 3.93Å |
| 97 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.6 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | L49 L74 V78 L95 H99 C104 Y106 | L49-V97 HydrophobicContact CD2-CG2 4.13Å; L74-V97 HydrophobicContact CD1-CG1 3.87Å; V78-V97 HydrophobicContact CB-CG1 4.34Å; V78-V97 HydrophobicContact CG1-CG1 3.63Å; V78-V97 HydrophobicContact CG2-CG1 3.88Å; L95-V97 HydrophobicContact CD2-CG2 4.24Å; L95-V97 HydrophobicContact CG-CG2 4.07Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.37Å; V97-C104 PolarHBondContact N-O 3.41Å; V97-C104 PolarHBondContact O-N 3.22Å; V97-Y106 HydrophobicContact CB-CD2 4.48Å; V97-Y106 HydrophobicContact CB-CE2 4.14Å; V97-Y106 HydrophobicContact CG2-CD2 3.82Å; V97-Y106 HydrophobicContact CG2-CE2 3.86Å |
| 98 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.8 | 176.4 | -177.2 | 66.4 | 0 | 0 | 0 | 109.7 | L79 Q80 L131 A135 M138 I154 | L79-L98 PolarHBondContact N-O 2.78Å; Q80-L98 HydrophobicContact CB-CB 4.23Å; Q80-L98 HydrophobicContact CB-CD2 4.34Å; Q80-L98 PolarHBondContact N-O 2.85Å; Q80-L98 PolarHBondContact O-N 3.01Å; L98-L131 HydrophobicContact CD1-CD1 4.05Å; L98-A135 HydrophobicContact CD1-CB 3.85Å; L98-A135 HydrophobicContact CD2-CB 4.1Å; L98-A135 HydrophobicContact CG-CB 4.16Å; L98-M138 HydrophobicContact CB-CE 3.97Å; L98-M138 HydrophobicContact CB-CG 4.47Å; L98-M138 HydrophobicContact CB-SD 3.94Å; L98-M138 HydrophobicContact CD2-CB 4Å; L98-M138 HydrophobicContact CD2-CG 4Å; L98-M138 HydrophobicContact CD2-SD 4.38Å; L98-I154 HydrophobicContact CD1-CD1 3.61Å; L98-I154 HydrophobicContact CD1-CG1 4.1Å; L98-I154 HydrophobicContact CD1-CG2 4.17Å |
| 99 | H | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 173.3 | 167.6 | -54.6 | -93.4 | 0 | 0 | 0 | 109.4 | D76 P77 V97 R101 K102 | D76-H99 HydrophobicContact CB-CB 4.38Å; D76-H99 PolarHBondContact O-CE1 3.34Å; D76-H99 PolarHBondContact O-ND1 2.94Å; P77-H99 WeakPolarHBondContact O-CA 3.38Å; P77-H99 WeakPolarHBondContact O-CB 3.42Å; P77-H99 PolarHBondContact O-ND1 3.33Å; V97-H99 WeakPolarHBondContact CG1-NE2 3.37Å; H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; H99-R101 VanDerWaalsContact O-N 3.16Å; H99-K102 HydrophobicContact CB-CD 4.45Å; H99-K102 HydrophobicContact CB-CG 3.6Å; H99-K102 WeakPolarHBondContact CD2-CE 3.32Å; H99-K102 PolarHBondContact N-O 2.87Å; H99-K102 VanDerWaalsContact NE2-CE 3.31Å; H99-K102 WeakPolarHBondContact NE2-CE 3.39Å |
| 100 | S | 97 | Very high | 95.3 | Very high | 40 Ų | 40 | 33 Ų | 33 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -53.5 | -39.2 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 113.7 | T134 A135 | S100-T134 CarbonylContact O-C 3.55Å; S100-T134 WeakPolarHBondContact O-CA 3.46Å; S100-A135 PolarHBondContact O-N 3.07Å |
| 101 | R | 96.9 | Very high | 94.8 | Very high | 133 Ų | 133 | 34.6 Ų | 34.6 | 50% | 0.502 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -130.4 | 12.2 | -174.9 | -61.8 | -160.8 | 69.2 | 121.4 | 7 | 115 | H99 L131 Q132 | H99-R101 VanDerWaalsContact C-N 3.26Å; H99-R101 PolarHBondContact O-N 2.94Å; H99-R101 VanDerWaalsContact O-N 3.16Å; R101-L131 PolarHBondContact NH2-O 2.76Å; R101-L131 WeakPolarHBondContact O-CB 3.46Å; R101-L131 PolarHBondContact O-N 2.64Å; R101-Q132 PolarHBondContact NH2-O 3.09Å |
| 102 | K | 96 | Very high | 94.1 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 13% | 0.13 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 145.9 | 178.7 | 62 | 179.5 | -165.3 | -168.1 | 0 | 110.4 | L74 D76 H99 H129 | L74-K102 PolarHBondContact O-NZ 3.38Å; D76-K102 WeakPolarHBondContact OD2-CE 3.32Å; D76-K102 IonicContact OD2-NZ 2.89Å; D76-K102 PolarHBondContact OD2-NZ 2.91Å; H99-K102 HydrophobicContact CB-CD 4.45Å; H99-K102 HydrophobicContact CB-CG 3.6Å; H99-K102 WeakPolarHBondContact CD2-CE 3.32Å; H99-K102 PolarHBondContact N-O 2.87Å; H99-K102 VanDerWaalsContact NE2-CE 3.31Å; H99-K102 WeakPolarHBondContact NE2-CE 3.39Å; K102-H129 CarbonylContact C-O 3.53Å; K102-H129 VanDerWaalsContact CA-O 3.29Å; K102-H129 WeakPolarHBondContact CA-O 3.11Å |
| 103 | L | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.2 | 166.8 | 168.9 | 69.5 | 0 | 0 | 0 | 107.3 | A96 E128 H129 M138 I152 I154 | A96-L103 HydrophobicContact CB-CD1 4.29Å; L103-E128 CarbonylContact O-C 3.59Å; L103-E128 WeakPolarHBondContact O-CA 3.39Å; L103-H129 HydrophobicContact CB-CB 4.32Å; L103-H129 PolarHBondContact N-O 3.25Å; L103-H129 PolarHBondContact O-N 3.05Å; L103-M138 HydrophobicContact CD1-SD 4.02Å; L103-I152 HydrophobicContact CD1-CD1 4.37Å; L103-I152 HydrophobicContact CD2-CD1 4Å; L103-I152 HydrophobicContact CD2-CG2 4.35Å; L103-I154 HydrophobicContact CB-CD1 3.95Å; L103-I154 HydrophobicContact CD2-CD1 4Å; L103-I154 HydrophobicContact CG-CD1 4.38Å |
| 104 | C | 97.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.3 | 180 | -59.3 | 0 | 0 | 0 | 0 | 109.1 | V97 Y106 L125 | V97-C104 PolarHBondContact N-O 3.41Å; V97-C104 PolarHBondContact O-N 3.22Å; C104-Y106 HydrophobicContact CB-CD2 4.27Å; C104-Y106 HydrophobicContact CB-CE2 3.39Å; C104-L125 HydrophobicContact CB-CD1 3.93Å |
| 105 | V | 97.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.4 | 175.4 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | F86 V87 H94 L95 A96 M126 Y127 | F86-V105 HydrophobicContact CB-CG1 3.89Å; F86-V105 HydrophobicContact CB-CG2 4.36Å; V87-V105 HydrophobicContact CG2-CG1 4.1Å; H94-V105 HydrophobicContact CB-CG1 3.96Å; L95-V105 CarbonylContact O-C 3.52Å; L95-V105 WeakPolarHBondContact O-CA 3.17Å; A96-V105 HydrophobicContact CB-CG2 4.15Å; V105-M126 WeakPolarHBondContact O-CB 3.41Å; V105-M126 PolarHBondContact O-N 3.49Å; V105-Y127 HydrophobicContact CB-CD1 3.95Å; V105-Y127 HydrophobicContact CB-CD2 4.43Å; V105-Y127 HydrophobicContact CB-CE1 3.56Å; V105-Y127 HydrophobicContact CB-CE2 4.07Å; V105-Y127 HydrophobicContact CB-CG 4.39Å; V105-Y127 HydrophobicContact CG1-CD1 4.33Å; V105-Y127 HydrophobicContact CG1-CE1 3.73Å; V105-Y127 HydrophobicContact CG2-CD2 4.4Å; V105-Y127 HydrophobicContact CG2-CE1 3.83Å; V105-Y127 HydrophobicContact CG2-CE2 3.64Å; V105-Y127 WeakPolarHBondContact CG2-OH 3.42Å; V105-Y127 PolarHBondContact N-O 3.3Å; V105-Y127 PolarHBondContact O-N 2.78Å |
| 106 | Y | 97.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 9% | 0.09 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.6 | -176 | -59.3 | -87.2 | 0 | 0 | 0 | 111.7 | L95 V97 C104 M123 K124 L125 | L95-Y106 PolarHBondContact N-O 3.41Å; L95-Y106 PolarHBondContact O-N 3.19Å; V97-Y106 HydrophobicContact CB-CD2 4.48Å; V97-Y106 HydrophobicContact CB-CE2 4.14Å; V97-Y106 HydrophobicContact CG2-CD2 3.82Å; V97-Y106 HydrophobicContact CG2-CE2 3.86Å; C104-Y106 HydrophobicContact CB-CD2 4.27Å; C104-Y106 HydrophobicContact CB-CE2 3.39Å; Y106-M123 HydrophobicContact CD1-CE 3.95Å; Y106-M123 HydrophobicContact CD1-CG 3.62Å; Y106-M123 HydrophobicContact CD1-SD 3.96Å; Y106-M123 HydrophobicContact CD2-SD 4.13Å; Y106-M123 HydrophobicContact CE1-CE 3.9Å; Y106-M123 HydrophobicContact CE1-CG 4.48Å; Y106-M123 HydrophobicContact CE1-SD 4.46Å; Y106-M123 HydrophobicContact CE2-CE 4.49Å; Y106-M123 HydrophobicContact CG-CE 4.3Å; Y106-M123 HydrophobicContact CG-CG 3.7Å; Y106-M123 HydrophobicContact CG-SD 3.79Å; Y106-K124 CarbonylContact C-O 3.58Å; Y106-K124 VanDerWaalsContact CA-O 3.26Å; Y106-K124 WeakPolarHBondContact CA-O 3.37Å; Y106-L125 HydrophobicContact CD1-CB 3.95Å; Y106-L125 HydrophobicContact CD1-CD1 3.95Å; Y106-L125 HydrophobicContact CE1-CB 3.79Å; Y106-L125 HydrophobicContact CE1-CD1 3.5Å; Y106-L125 HydrophobicContact CE1-CG 4.23Å; Y106-L125 HydrophobicContact CE2-CD1 4.37Å |
| 107 | S | 96.2 | Very high | 88.5 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.4 | 162.6 | -179 | 0 | 0 | 0 | 0 | 108.3 | K124 | S107-K124 PolarHBondContact N-O 3.03Å; S107-K124 PolarHBondContact O-N 3.17Å |
| 108 | V | 93.9 | Very high | 87.2 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.5 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | V30 I51 L70 L95 C121 M123 | V30-V108 HydrophobicContact CG2-CB 4.1Å; V30-V108 HydrophobicContact CG2-CG2 3.82Å; I51-V108 HydrophobicContact CD1-CG1 4.02Å; I51-V108 HydrophobicContact CD1-CG2 3.91Å; L70-V108 HydrophobicContact CD2-CG1 4.25Å; L95-V108 HydrophobicContact CB-CG2 4.29Å; L95-V108 HydrophobicContact CD2-CG2 4.21Å; V108-C121 WeakPolarHBondContact CG1-SG 3.11Å; V108-M123 HydrophobicContact CG2-CG 4.42Å |
| 109 | S | 89.9 | Confident | 86.1 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 128.2 | 179.8 | 57 | 0 | 0 | 0 | 0 | 110.8 | Q122 | S109-Q122 PolarHBondContact N-O 3.35Å; S109-Q122 PolarHBondContact O-N 3.37Å |
| 110 | G | 82 | Confident | 85.2 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 111 | T | 80.3 | Confident | 84.6 | Confident | 79 Ų | 79 | 65.9 Ų | 65.9 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.2 | 167.5 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | Q120 | T111-Q120 PolarHBondContact N-O 3.13Å; T111-Q120 PolarHBondContact O-N 2.85Å |
| 112 | L | 77.8 | Confident | 84.2 | Confident | 152 Ų | 152 | 64.8 Ų | 64.8 | 80% | 0.796 | 37% | 0.366 | S | S | * | . | trans | -70.1 | 130.8 | -180 | -69.9 | 168.2 | 0 | 0 | 0 | 110.8 | N119 | L112-N119 WeakPolarHBondContact CA-OD1 3.31Š| ||
| 113 | G | 75.3 | Confident | 84 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | trans | -86.9 | 171.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V115 G118 N119 | G113-V115 PolarHBondContact O-N 3.14Å; G113-G118 WeakPolarHBondContact CA-O 3.41Å; G113-N119 PolarHBondContact N-OD1 2.76Å | ||
| 114 | N | 75.2 | Confident | 83.9 | Confident | 177 Ų | 177 | 72 Ų | 72 | 95% | 0.947 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70.9 | -15.7 | 174.5 | -68.9 | -10.7 | 0 | 0 | 0 | 113 | ||
| 115 | V | 74.1 | Confident | 83.8 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -139.5 | 155.2 | 178.9 | -163.3 | 0 | 0 | 0 | 0 | 107.6 | G113 H117 G118 | G113-V115 PolarHBondContact O-N 3.14Å; V115-H117 WeakPolarHBondContact CG1-CE1 3.27Å; V115-H117 PolarHBondContact O-N 3.45Å; V115-G118 VanDerWaalsContact O-CA 3.28Å; V115-G118 WeakPolarHBondContact O-CA 3.5Å; V115-G118 PolarHBondContact O-N 3.48Å |
| 116 | E | 67.8 | Low | 83.8 | Confident | 143 Ų | 143 | 79.4 Ų | 79.4 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -56.4 | -45.6 | -172.5 | -66.5 | -179.4 | 157.2 | 0 | 0 | 113.3 | G118 N119 | E116-G118 PolarHBondContact O-N 3.23Å; E116-G118 VanDerWaalsContact O-N 3.12Å; E116-N119 WeakPolarHBondContact O-CB 3.47Å; E116-N119 VanDerWaalsContact O-CG 3.29Å; E116-N119 PolarHBondContact O-N 3.08Å; E116-N119 PolarHBondContact O-ND2 2.74Å |
| 117 | H | 72.4 | Confident | 83.8 | Confident | 142 Ų | 142 | 79.5 Ų | 79.5 | 66% | 0.657 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -69.5 | -3.5 | 172.8 | 57.7 | -97.8 | 0 | 0 | 0 | 114.6 | V115 | V115-H117 WeakPolarHBondContact CG1-CE1 3.27Å; V115-H117 PolarHBondContact O-N 3.45Å |
| 118 | G | 69.8 | Low | 83.8 | Confident | 30 Ų | 30 | 82 Ų | 82 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -93.5 | -4.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G113 V115 E116 Q120 | G113-G118 WeakPolarHBondContact CA-O 3.41Å; V115-G118 VanDerWaalsContact O-CA 3.28Å; V115-G118 WeakPolarHBondContact O-CA 3.5Å; V115-G118 PolarHBondContact O-N 3.48Å; E116-G118 PolarHBondContact O-N 3.23Å; E116-G118 VanDerWaalsContact O-N 3.12Å; G118-Q120 PolarHBondContact O-N 3.28Å |
| 119 | N | 76.1 | Confident | 84 | Confident | 80 Ų | 80 | 83.1 Ų | 83.1 | 43% | 0.428 | 45% | 0.449 | S | S | . | . | trans | -66.1 | 126.8 | 175.9 | -67 | -23.5 | 0 | 0 | 0 | 109.7 | L112 G113 E116 | L112-N119 WeakPolarHBondContact CA-OD1 3.31Å; G113-N119 PolarHBondContact N-OD1 2.76Å; E116-N119 WeakPolarHBondContact O-CB 3.47Å; E116-N119 VanDerWaalsContact O-CG 3.29Å; E116-N119 PolarHBondContact O-N 3.08Å; E116-N119 PolarHBondContact O-ND2 2.74Å | ||
| 120 | Q | 78.6 | Confident | 84.3 | Confident | 122 Ų | 122 | 86.6 Ų | 86.6 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.2 | 179.7 | -67 | -175.9 | -1.3 | 0 | 0 | 109.7 | T111 G118 | T111-Q120 PolarHBondContact N-O 3.13Å; T111-Q120 PolarHBondContact O-N 2.85Å; G118-Q120 PolarHBondContact O-N 3.28Å |
| 121 | C | 84.3 | Confident | 84.9 | Confident | 28 Ų | 28 | 84.5 Ų | 84.5 | 19% | 0.189 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.6 | 170.3 | -157.8 | 0 | 0 | 0 | 0 | 109.5 | L69 L70 V108 | L69-C121 HydrophobicContact CB-CB 4.18Å; L69-C121 WeakPolarHBondContact O-CB 3.44Å; L70-C121 HydrophobicContact CB-CB 4.43Å; L70-C121 HydrophobicContact CD2-CB 4.14Å; V108-C121 WeakPolarHBondContact CG1-SG 3.11Å |
| 122 | Q | 87.9 | Confident | 85.5 | Confident | 109 Ų | 109 | 87.7 Ų | 87.7 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.2 | 177.4 | -65.7 | -175.2 | 2 | 0 | 0 | 110.1 | S109 | S109-Q122 PolarHBondContact N-O 3.35Å; S109-Q122 PolarHBondContact O-N 3.37Å |
| 123 | M | 92.8 | Very high | 86.2 | Confident | 40 Ų | 40 | 82.9 Ų | 82.9 | 20% | 0.197 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.4 | 175 | -173.8 | 176.2 | 72.7 | 0 | 0 | 109 | L49 L70 V72 L74 L95 Y106 V108 | L49-M123 HydrophobicContact CD2-CE 4.09Å; L49-M123 HydrophobicContact CD2-SD 3.49Å; L49-M123 WeakPolarHBondContact CD2-SD 3.18Å; L70-M123 HydrophobicContact CD2-CB 4.38Å; V72-M123 HydrophobicContact CB-CE 4.13Å; V72-M123 HydrophobicContact CG1-CE 3.92Å; V72-M123 HydrophobicContact CG2-CE 4.22Å; L74-M123 HydrophobicContact CD2-CE 3.79Å; L95-M123 HydrophobicContact CD2-SD 4.47Å; Y106-M123 HydrophobicContact CD1-CE 3.95Å; Y106-M123 HydrophobicContact CD1-CG 3.62Å; Y106-M123 HydrophobicContact CD1-SD 3.96Å; Y106-M123 HydrophobicContact CD2-SD 4.13Å; Y106-M123 HydrophobicContact CE1-CE 3.9Å; Y106-M123 HydrophobicContact CE1-CG 4.48Å; Y106-M123 HydrophobicContact CE1-SD 4.46Å; Y106-M123 HydrophobicContact CE2-CE 4.49Å; Y106-M123 HydrophobicContact CG-CE 4.3Å; Y106-M123 HydrophobicContact CG-CG 3.7Å; Y106-M123 HydrophobicContact CG-SD 3.79Å; V108-M123 HydrophobicContact CG2-CG 4.42Å |
| 124 | K | 94.5 | Very high | 87.3 | Confident | 141 Ų | 141 | 84.5 Ų | 84.5 | 61% | 0.613 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.7 | -178.3 | -177 | -177.7 | 177 | -174.4 | 0 | 110.3 | Y106 S107 M126 | Y106-K124 CarbonylContact C-O 3.58Å; Y106-K124 VanDerWaalsContact CA-O 3.26Å; Y106-K124 WeakPolarHBondContact CA-O 3.37Å; S107-K124 PolarHBondContact N-O 3.03Å; S107-K124 PolarHBondContact O-N 3.17Å; K124-M126 PolarHBondContact O-N 3.41Å |
| 125 | L | 96.4 | Very high | 88.3 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 123.5 | 173.1 | -174.9 | 69.3 | 0 | 0 | 0 | 109.7 | C104 Y106 Y127 | C104-L125 HydrophobicContact CB-CD1 3.93Å; Y106-L125 HydrophobicContact CD1-CB 3.95Å; Y106-L125 HydrophobicContact CD1-CD1 3.95Å; Y106-L125 HydrophobicContact CE1-CB 3.79Å; Y106-L125 HydrophobicContact CE1-CD1 3.5Å; Y106-L125 HydrophobicContact CE1-CG 4.23Å; Y106-L125 HydrophobicContact CE2-CD1 4.37Å; L125-Y127 WeakPolarHBondContact CD1-O 3.36Å |
| 126 | M | 96.6 | Very high | 89.4 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 38% | 0.384 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -48.1 | 178.6 | -63.2 | -59.2 | -69.1 | 0 | 0 | 110.9 | V87 V105 K124 | V87-M126 HydrophobicContact CG1-CE 4.18Å; V87-M126 HydrophobicContact CG2-CB 4.12Å; V87-M126 HydrophobicContact CG2-CE 4.48Å; V87-M126 HydrophobicContact CG2-CG 4.25Å; V105-M126 WeakPolarHBondContact O-CB 3.41Å; V105-M126 PolarHBondContact O-N 3.49Å; K124-M126 PolarHBondContact O-N 3.41Å |
| 127 | Y | 97.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 10% | 0.102 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 165.9 | 172 | 65.4 | -90.7 | 0 | 0 | 0 | 110.7 | F86 V87 V105 L125 H129 Q166 E167 | F86-Y127 VanDerWaalsContact O-CE1 3.25Å; F86-Y127 WeakPolarHBondContact O-CE1 3.44Å; F86-Y127 PolarHBondContact O-OH 3.47Å; V87-Y127 HydrophobicContact CG2-CD1 4.49Å; V87-Y127 HydrophobicContact CG2-CE1 4.08Å; V105-Y127 HydrophobicContact CB-CD1 3.95Å; V105-Y127 HydrophobicContact CB-CD2 4.43Å; V105-Y127 HydrophobicContact CB-CE1 3.56Å; V105-Y127 HydrophobicContact CB-CE2 4.07Å; V105-Y127 HydrophobicContact CB-CG 4.39Å; V105-Y127 HydrophobicContact CG1-CD1 4.33Å; V105-Y127 HydrophobicContact CG1-CE1 3.73Å; V105-Y127 HydrophobicContact CG2-CD2 4.4Å; V105-Y127 HydrophobicContact CG2-CE1 3.83Å; V105-Y127 HydrophobicContact CG2-CE2 3.64Å; V105-Y127 WeakPolarHBondContact CG2-OH 3.42Å; V105-Y127 PolarHBondContact N-O 3.3Å; V105-Y127 PolarHBondContact O-N 2.78Å; L125-Y127 WeakPolarHBondContact CD1-O 3.36Å; Y127-H129 AromaticContact CD2-CD2 3.81Å; Y127-H129 AromaticContact CD2-NE2 3.81Å; Y127-H129 AromaticContact CE2-CD2 3.58Å; Y127-H129 AromaticContact CE2-NE2 3.62Å; Y127-Q166 WeakPolarHBondContact CE2-O 3.12Å; Y127-Q166 WeakPolarHBondContact OH-CA 3.47Å; Y127-Q166 PolarHBondContact OH-O 2.94Å; Y127-E167 HydrophobicContact CD1-CG 3.7Å; Y127-E167 HydrophobicContact CE1-CG 3.98Å; Y127-E167 HydrophobicContact CG-CG 4.05Å |
| 128 | E | 97.2 | Very high | 91.9 | Very high | 83 Ų | 83 | 61.8 Ų | 61.8 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.2 | 177.6 | 180 | -176.1 | 117.9 | 0 | 0 | 109.6 | L103 N130 | L103-E128 CarbonylContact O-C 3.59Å; L103-E128 WeakPolarHBondContact O-CA 3.39Å; E128-N130 PolarHBondContact OE1-ND2 2.91Å |
| 129 | H | 97.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 12% | 0.116 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.4 | 168.1 | -72.7 | -65.3 | 0 | 0 | 0 | 110.2 | K102 L103 Y127 F164 Q166 E167 | K102-H129 CarbonylContact C-O 3.53Å; K102-H129 VanDerWaalsContact CA-O 3.29Å; K102-H129 WeakPolarHBondContact CA-O 3.11Å; L103-H129 HydrophobicContact CB-CB 4.32Å; L103-H129 PolarHBondContact N-O 3.25Å; L103-H129 PolarHBondContact O-N 3.05Å; Y127-H129 AromaticContact CD2-CD2 3.81Å; Y127-H129 AromaticContact CD2-NE2 3.81Å; Y127-H129 AromaticContact CE2-CD2 3.58Å; Y127-H129 AromaticContact CE2-NE2 3.62Å; H129-F164 HydrophobicContact CB-CD1 4.21Å; H129-F164 HydrophobicContact CB-CE1 3.82Å; H129-F164 AromaticContact CD2-CD1 3.54Å; H129-F164 AromaticContact CG-CD1 3.67Å; H129-F164 AromaticContact CG-CE1 3.73Å; H129-F164 AromaticContact ND1-CD1 3.97Å; H129-F164 AromaticContact NE2-CD1 3.77Å; H129-Q166 PolarHBondContact NE2-O 3.35Å; H129-E167 VanDerWaalsContact CE1-C 3.41Å; H129-E167 PolarHBondContact CE1-O 3.22Å |
| 130 | N | 96.2 | Very high | 94.2 | Very high | 125 Ų | 125 | 61.2 Ų | 61.2 | 67% | 0.668 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125 | 171.4 | -78.2 | -74.8 | 0 | 0 | 0 | 109.9 | E128 | E128-N130 PolarHBondContact OE1-ND2 2.91Å |
| 131 | L | 95.7 | Very high | 95 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | trans | -92.7 | 125.6 | -177.6 | -51 | 175.9 | 0 | 0 | 0 | 110.6 | L98 R101 R133 A135 I154 M162 F164 | L98-L131 HydrophobicContact CD1-CD1 4.05Å; R101-L131 PolarHBondContact NH2-O 2.76Å; R101-L131 WeakPolarHBondContact O-CB 3.46Å; R101-L131 PolarHBondContact O-N 2.64Å; L131-R133 WeakPolarHBondContact CB-O 3.43Å; L131-R133 PolarHBondContact O-N 3.33Å; L131-A135 HydrophobicContact CD1-CB 3.86Å; L131-I154 HydrophobicContact CD1-CD1 4.06Å; L131-I154 HydrophobicContact CD2-CD1 3.82Å; L131-M162 HydrophobicContact CD2-CE 4.31Å; L131-F164 HydrophobicContact CD2-CE1 4.38Å; L131-F164 HydrophobicContact CD2-CE2 4.14Å; L131-F164 HydrophobicContact CD2-CZ 3.56Å | ||
| 132 | Q | 91.9 | Very high | 95.4 | Very high | 145 Ų | 145 | 56.4 Ų | 56.4 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -71.6 | -17 | 176 | -62 | -179.6 | 0.3 | 0 | 0 | 112.5 | R101 | R101-Q132 PolarHBondContact NH2-O 3.09Š|
| 133 | R | 93.5 | Very high | 95.7 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -127.3 | 155.7 | -179.7 | -61.5 | -176.1 | -177.6 | -77.9 | -12.3 | 110.7 | L131 A135 D158 M160 | L131-R133 WeakPolarHBondContact CB-O 3.43Å; L131-R133 PolarHBondContact O-N 3.33Å; R133-A135 PolarHBondContact O-N 3.28Å; R133-D158 IonicContact CZ-OD2 2.67Å; R133-D158 IonicContact NE-OD2 2.64Å; R133-D158 IonicContact NH1-OD2 3.27Å; R133-D158 PolarHBondContact NH1-OD2 3.33Å; R133-M160 PolarHBondContact NE-SD 2.77Å |
| 134 | T | 97 | Very high | 95.6 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | trans | -72.1 | 120.1 | 175.8 | -55.5 | 0 | 0 | 0 | 0 | 109.8 | S100 S156 M157 | S100-T134 CarbonylContact O-C 3.55Å; S100-T134 WeakPolarHBondContact O-CA 3.46Å; T134-S156 CarbonylContact O-C 3.56Å; T134-S156 VanDerWaalsContact O-CA 3.26Å; T134-S156 WeakPolarHBondContact O-CA 3.39Å; T134-S156 WeakPolarHBondContact O-CB 3.4Å; T134-M157 HydrophobicContact CG2-CG 3.9Å; T134-M157 PolarHBondContact O-N 3.23Å | ||
| 135 | A | 97.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 152.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L79 L98 S100 L131 R133 I154 | L79-A135 HydrophobicContact CD1-CB 4.42Å; L79-A135 WeakPolarHBondContact CD1-O 3.33Å; L98-A135 HydrophobicContact CD1-CB 3.85Å; L98-A135 HydrophobicContact CD2-CB 4.1Å; L98-A135 HydrophobicContact CG-CB 4.16Å; S100-A135 PolarHBondContact O-N 3.07Å; L131-A135 HydrophobicContact CD1-CB 3.86Å; R133-A135 PolarHBondContact O-N 3.28Å; A135-I154 HydrophobicContact CB-CG2 3.63Å |
| 136 | C | 96 | Very high | 95.1 | Very high | 39 Ų | 39 | 46 Ų | 46 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -56.1 | 170.5 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | Q155 M157 P181 | C136-Q155 PolarHBondContact N-O 2.86Å; C136-M157 HydrophobicContact CB-CG 4.29Å; C136-M157 HydrophobicContact CB-SD 3.48Å; C136-M157 WeakPolarHBondContact CB-SD 3.44Å; C136-P181 HydrophobicContact CB-CB 3.9Å; C136-P181 HydrophobicContact CB-CG 3.99Å; C136-P181 WeakPolarHBondContact SG-CG 3.4Å |
| 137 | N | 96.9 | Very high | 94.7 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 176.5 | -179.7 | 63 | 37.5 | 0 | 0 | 0 | 110.2 | Q155 G182 | N137-Q155 PolarHBondContact ND2-OE1 3.48Å; N137-Q155 VanDerWaalsContact ND2-OE1 3.16Å; N137-Q155 PolarHBondContact O-N 3.32Å; N137-Q155 VanDerWaalsContact OD1-CB 3.23Å; N137-Q155 WeakPolarHBondContact OD1-CB 3.47Å; N137-Q155 PolarHBondContact OD1-OE1 2.92Å; N137-G182 PolarHBondContact ND2-O 3.43Å; N137-G182 VanDerWaalsContact ND2-O 3.1Å |
| 138 | M | 97.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 160.9 | 171.7 | 65.9 | 178.5 | 175.8 | 0 | 0 | 112.1 | Q80 E82 A96 L98 L103 I152 C153 I154 | Q80-M138 HydrophobicContact CB-CE 4.42Å; Q80-M138 HydrophobicContact CG-CE 4.23Å; Q80-M138 HydrophobicContact CG-CG 4.3Å; Q80-M138 PolarHBondContact NE2-O 2.95Å; Q80-M138 PolarHBondContact OE1-O 2.98Å; E82-M138 HydrophobicContact CB-CE 3.83Å; E82-M138 HydrophobicContact CG-CE 3.7Å; A96-M138 HydrophobicContact CB-CE 3.98Å; L98-M138 HydrophobicContact CB-CE 3.97Å; L98-M138 HydrophobicContact CB-CG 4.47Å; L98-M138 HydrophobicContact CB-SD 3.94Å; L98-M138 HydrophobicContact CD2-CB 4Å; L98-M138 HydrophobicContact CD2-CG 4Å; L98-M138 HydrophobicContact CD2-SD 4.38Å; L103-M138 HydrophobicContact CD1-SD 4.02Å; M138-I152 HydrophobicContact CB-CG2 4.08Å; M138-I152 HydrophobicContact CG-CG2 4.42Å; M138-I152 HydrophobicContact SD-CG2 3.77Å; M138-C153 CarbonylContact C-O 3.56Å; M138-C153 WeakPolarHBondContact CA-O 3.21Å; M138-C153 WeakPolarHBondContact CB-O 3.29Å; M138-I154 HydrophobicContact CB-CG1 3.98Å |
| 139 | T | 97 | Very high | 94.1 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 162.9 | 167.3 | -163.5 | 0 | 0 | 0 | 0 | 109.2 | C153 L184 Y186 F193 | T139-C153 HydrophobicContact CG2-CB 4.12Å; T139-C153 PolarHBondContact N-O 2.99Å; T139-C153 PolarHBondContact O-N 3.41Å; T139-L184 HydrophobicContact CG2-CD2 3.77Å; T139-L184 HydrophobicContact CG2-CG 3.86Å; T139-Y186 PolarHBondContact OG1-N 2.94Å; T139-F193 HydrophobicContact CG2-CD1 3.98Å; T139-F193 HydrophobicContact CG2-CE1 4.05Å |
| 140 | Y | 96.5 | Very high | 94 | Very high | 82 Ų | 82 | 54 Ų | 54 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 163.3 | 179.4 | 73 | -84.7 | 0 | 0 | 0 | 112.8 | E82 F86 D150 L151 | E82-Y140 HydrophobicContact CB-CD1 4.12Å; E82-Y140 HydrophobicContact CB-CE1 4.18Å; E82-Y140 HydrophobicContact CG-CD1 4.02Å; E82-Y140 HydrophobicContact CG-CE1 4.13Å; E82-Y140 WeakPolarHBondContact OE2-CE1 3.39Å; F86-Y140 AromaticContact CE1-CD2 3.99Å; F86-Y140 HydrophobicContact CE1-CD2 3.99Å; F86-Y140 AromaticContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CE1-CG 3.87Å; F86-Y140 HydrophobicContact CZ-CD1 4.3Å; F86-Y140 HydrophobicContact CZ-CD2 4.21Å; F86-Y140 AromaticContact CZ-CG 3.98Å; F86-Y140 HydrophobicContact CZ-CG 3.98Å; Y140-D150 HydrophobicContact CD2-CB 3.9Å; Y140-L151 CarbonylContact C-O 3.49Å; Y140-L151 WeakPolarHBondContact CA-O 3.4Å; Y140-L151 WeakPolarHBondContact CB-O 3.34Å |
| 141 | G | 94.5 | Very high | 94 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.5 | -169.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F143 L151 | G141-F143 VanDerWaalsContact C-N 3.25Å; G141-F143 PolarHBondContact O-N 3.26Å; G141-L151 PolarHBondContact N-O 3.47Å; G141-L151 PolarHBondContact O-N 3.06Å |
| 142 | S | 93.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | trans | -82.4 | 63.1 | -179.3 | 40.6 | 0 | 0 | 0 | 0 | 111.8 | G144 G145 V146 Y186 | S142-G144 PolarHBondContact O-N 3.01Å; S142-G145 WeakPolarHBondContact O-CA 3.27Å; S142-G145 PolarHBondContact O-N 3.11Å; S142-V146 WeakPolarHBondContact CB-O 3.42Å; S142-Y186 PolarHBondContact O-OH 3.1Å | ||
| 143 | F | 94.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -55.2 | 133.3 | -177 | -50.2 | -21.6 | 0 | 0 | 0 | 111.3 | G141 G145 V146 L151 C153 V163 Y186 F193 Y207 | G141-F143 VanDerWaalsContact C-N 3.25Å; G141-F143 PolarHBondContact O-N 3.26Å; F143-G145 PolarHBondContact O-N 2.86Å; F143-V146 WeakPolarHBondContact O-CG2 3.47Å; F143-L151 HydrophobicContact CB-CD1 3.94Å; F143-L151 HydrophobicContact CD2-CB 3.53Å; F143-L151 HydrophobicContact CD2-CD1 4.29Å; F143-L151 HydrophobicContact CD2-CG 4.5Å; F143-L151 HydrophobicContact CE2-CB 3.84Å; F143-L151 WeakPolarHBondContact CE2-O 3.27Å; F143-L151 HydrophobicContact CG-CB 4.04Å; F143-L151 HydrophobicContact CG-CD1 4.38Å; F143-L151 WeakPolarHBondContact CZ-O 3.49Å; F143-C153 HydrophobicContact CE2-CB 3.76Å; F143-C153 HydrophobicContact CZ-CB 3.75Å; F143-V163 HydrophobicContact CD2-CG1 3.91Å; F143-V163 HydrophobicContact CE2-CG1 4.12Å; F143-Y186 WeakPolarHBondContact CA-OH 3.49Å; F143-Y186 AromaticContact CD1-CD1 3.84Å; F143-Y186 HydrophobicContact CD1-CD1 3.84Å; F143-Y186 AromaticContact CD1-CD2 3.57Å; F143-Y186 HydrophobicContact CD1-CD2 3.57Å; F143-Y186 AromaticContact CD1-CE1 3.82Å; F143-Y186 HydrophobicContact CD1-CE1 3.82Å; F143-Y186 AromaticContact CD1-CE2 3.57Å; F143-Y186 HydrophobicContact CD1-CE2 3.57Å; F143-Y186 AromaticContact CD1-CG 3.72Å; F143-Y186 HydrophobicContact CD1-CG 3.72Å; F143-Y186 AromaticContact CD1-CZ 3.71Å; F143-Y186 AromaticContact CE1-CD1 3.87Å; F143-Y186 HydrophobicContact CE1-CD1 3.87Å; F143-Y186 AromaticContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CE1 4.33Å; F143-Y186 HydrophobicContact CE1-CE2 4.23Å; F143-Y186 AromaticContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CG-CE2 4.39Å; F143-F193 HydrophobicContact CD1-CE1 4.17Å; F143-F193 HydrophobicContact CD1-CZ 4.04Å; F143-F193 HydrophobicContact CD2-CE1 4.46Å; F143-F193 AromaticContact CD2-CZ 3.9Å; F143-F193 HydrophobicContact CD2-CZ 3.9Å; F143-F193 AromaticContact CE1-CE1 3.66Å; F143-F193 HydrophobicContact CE1-CE1 3.66Å; F143-F193 AromaticContact CE1-CZ 3.95Å; F143-F193 HydrophobicContact CE1-CZ 3.95Å; F143-F193 AromaticContact CE2-CE1 3.99Å; F143-F193 HydrophobicContact CE2-CE1 3.99Å; F143-F193 AromaticContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CG-CZ 4.03Å; F143-F193 AromaticContact CZ-CE1 3.57Å; F143-F193 HydrophobicContact CZ-CE1 3.57Å; F143-F193 AromaticContact CZ-CZ 3.85Å; F143-F193 HydrophobicContact CZ-CZ 3.85Å; F143-Y207 HydrophobicContact CB-CD2 3.67Å; F143-Y207 HydrophobicContact CB-CE2 3.59Å; F143-Y207 HydrophobicContact CB-CG 4.21Å; F143-Y207 HydrophobicContact CD2-CD2 4.48Å; F143-Y207 HydrophobicContact CD2-CE2 4.25Å; F143-Y207 HydrophobicContact CG-CD2 4.27Å; F143-Y207 HydrophobicContact CG-CE2 4.3Å |
| 144 | G | 90.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | 72.2 | 7.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S142 D191 | S142-G144 PolarHBondContact O-N 3.01Å; G144-D191 WeakPolarHBondContact CA-OD2 3.33Å; G144-D191 PolarHBondContact N-OD1 2.87Å |
| 145 | G | 89.8 | Confident | 94.6 | Very high | 52 Ų | 52 | 35.8 Ų | 35.8 | 54% | 0.536 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | 80.1 | 20.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | S142 F143 K147 | S142-G145 WeakPolarHBondContact O-CA 3.27Å; S142-G145 PolarHBondContact O-N 3.11Å; F143-G145 PolarHBondContact O-N 2.86Å; G145-K147 PolarHBondContact O-N 3.14Å |
| 146 | V | 90.8 | Very high | 94.5 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 35% | 0.345 | 21% | 0.205 | S | C | . | . | trans | -69.9 | 117.7 | 179.5 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | S142 F143 R149 | S142-V146 WeakPolarHBondContact CB-O 3.42Å; F143-V146 WeakPolarHBondContact O-CG2 3.47Å; V146-R149 HydrophobicContact CG1-CB 4.16Å; V146-R149 HydrophobicContact CG1-CG 4.17Å | ||
| 147 | K | 89 | Confident | 94.5 | Very high | 195 Ų | 195 | 38.3 Ų | 38.3 | 85% | 0.848 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | 144.5 | -178.7 | -63.7 | -172 | 178.4 | -176.4 | 0 | 111.8 | G145 R149 | G145-K147 PolarHBondContact O-N 3.14Å; K147-R149 PolarHBondContact O-N 3.34Å |
| 148 | G | 88.5 | Confident | 94.3 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 10 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 149 | R | 92.7 | Very high | 94 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 48% | 0.475 | 23% | 0.225 | S | C | . | . | trans | -135.1 | 138.5 | 178.2 | -56.7 | -175.1 | -169 | 178.6 | -1.6 | 109.7 | V146 K147 L151 | V146-R149 HydrophobicContact CG1-CB 4.16Å; V146-R149 HydrophobicContact CG1-CG 4.17Å; K147-R149 PolarHBondContact O-N 3.34Å; R149-L151 HydrophobicContact CB-CD2 4.26Å | ||
| 150 | D | 95.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 17% | 0.171 | 22% | 0.22 | C | C | . | . | trans | -109.1 | 120.7 | 169 | -67 | -45.4 | 0 | 0 | 0 | 108.3 | K85 F86 Y140 | K85-D150 HydrophobicContact CB-CB 4.26Å; K85-D150 WeakPolarHBondContact CB-OD2 3.36Å; K85-D150 PolarHBondContact N-OD2 2.82Å; K85-D150 PolarHBondContact O-N 3.22Å; F86-D150 HydrophobicContact CD1-CB 3.94Å; F86-D150 HydrophobicContact CE1-CB 3.82Å; Y140-D150 HydrophobicContact CD2-CB 3.9Å | ||
| 151 | L | 96.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 152.4 | 177.9 | -46.7 | 179.4 | 0 | 0 | 0 | 108 | Y140 G141 F143 R149 E165 Q166 | Y140-L151 CarbonylContact C-O 3.49Å; Y140-L151 WeakPolarHBondContact CA-O 3.4Å; Y140-L151 WeakPolarHBondContact CB-O 3.34Å; G141-L151 PolarHBondContact N-O 3.47Å; G141-L151 PolarHBondContact O-N 3.06Å; F143-L151 HydrophobicContact CB-CD1 3.94Å; F143-L151 HydrophobicContact CD2-CB 3.53Å; F143-L151 HydrophobicContact CD2-CD1 4.29Å; F143-L151 HydrophobicContact CD2-CG 4.5Å; F143-L151 HydrophobicContact CE2-CB 3.84Å; F143-L151 WeakPolarHBondContact CE2-O 3.27Å; F143-L151 HydrophobicContact CG-CB 4.04Å; F143-L151 HydrophobicContact CG-CD1 4.38Å; F143-L151 WeakPolarHBondContact CZ-O 3.49Å; R149-L151 HydrophobicContact CB-CD2 4.26Å; L151-E165 HydrophobicContact CD1-CG 3.92Å; L151-E165 HydrophobicContact CD2-CB 4.32Å; L151-E165 HydrophobicContact CD2-CG 4.29Å; L151-Q166 HydrophobicContact CD2-CG 3.99Å |
| 152 | I | 97.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.8 | -172.9 | -61.1 | 172 | 0 | 0 | 0 | 109.4 | F86 A96 L103 M138 I154 F164 | F86-I152 HydrophobicContact CD1-CD1 3.65Å; F86-I152 HydrophobicContact CD1-CG1 3.72Å; F86-I152 HydrophobicContact CD2-CD1 4.46Å; F86-I152 HydrophobicContact CE1-CD1 3.87Å; F86-I152 HydrophobicContact CE1-CG1 3.69Å; F86-I152 HydrophobicContact CG-CD1 3.99Å; F86-I152 HydrophobicContact CZ-CD1 4.35Å; F86-I152 HydrophobicContact CZ-CG1 4.46Å; A96-I152 HydrophobicContact CB-CD1 3.93Å; L103-I152 HydrophobicContact CD1-CD1 4.37Å; L103-I152 HydrophobicContact CD2-CD1 4Å; L103-I152 HydrophobicContact CD2-CG2 4.35Å; M138-I152 HydrophobicContact CB-CG2 4.08Å; M138-I152 HydrophobicContact CG-CG2 4.42Å; M138-I152 HydrophobicContact SD-CG2 3.77Å; I152-I154 HydrophobicContact CG2-CG1 4.04Å; I152-F164 PolarHBondContact N-O 3.47Å; I152-F164 PolarHBondContact O-N 3.46Å |
| 153 | C | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.8 | 169.2 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | M138 T139 F143 M162 V163 F193 | M138-C153 CarbonylContact C-O 3.56Å; M138-C153 WeakPolarHBondContact CA-O 3.21Å; M138-C153 WeakPolarHBondContact CB-O 3.29Å; T139-C153 HydrophobicContact CG2-CB 4.12Å; T139-C153 PolarHBondContact N-O 2.99Å; T139-C153 PolarHBondContact O-N 3.41Å; F143-C153 HydrophobicContact CE2-CB 3.76Å; F143-C153 HydrophobicContact CZ-CB 3.75Å; C153-M162 CarbonylContact C-O 3.55Å; C153-M162 WeakPolarHBondContact CA-O 3.45Å; C153-V163 HydrophobicContact CB-CG2 4.31Å; C153-F193 HydrophobicContact CB-CD1 4.27Å; C153-F193 HydrophobicContact CB-CE1 3.48Å; C153-F193 VanDerWaalsContact CB-CE1 3.48Å; C153-F193 HydrophobicContact CB-CZ 3.94Å |
| 154 | I | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.7 | 177.5 | -61.9 | 176.3 | 0 | 0 | 0 | 108.9 | L98 L103 L131 A135 M138 I152 L161 M162 F164 | L98-I154 HydrophobicContact CD1-CD1 3.61Å; L98-I154 HydrophobicContact CD1-CG1 4.1Å; L98-I154 HydrophobicContact CD1-CG2 4.17Å; L103-I154 HydrophobicContact CB-CD1 3.95Å; L103-I154 HydrophobicContact CD2-CD1 4Å; L103-I154 HydrophobicContact CG-CD1 4.38Å; L131-I154 HydrophobicContact CD1-CD1 4.06Å; L131-I154 HydrophobicContact CD2-CD1 3.82Å; A135-I154 HydrophobicContact CB-CG2 3.63Å; M138-I154 HydrophobicContact CB-CG1 3.98Å; I152-I154 HydrophobicContact CG2-CG1 4.04Å; I154-L161 CarbonylContact O-C 3.54Å; I154-L161 WeakPolarHBondContact O-CA 3.32Å; I154-M162 HydrophobicContact CB-CB 4.46Å; I154-M162 HydrophobicContact CB-CE 4.08Å; I154-M162 HydrophobicContact CG2-CE 3.67Å; I154-M162 PolarHBondContact N-O 3.48Å; I154-M162 PolarHBondContact O-N 3.28Å; I154-F164 HydrophobicContact CB-CE2 4.29Å; I154-F164 HydrophobicContact CD1-CD2 4.06Å; I154-F164 HydrophobicContact CD1-CE2 3.63Å; I154-F164 HydrophobicContact CD1-CZ 4.34Å; I154-F164 HydrophobicContact CG1-CD2 4.26Å; I154-F164 HydrophobicContact CG1-CE2 4.05Å |
| 155 | Q | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.9 | 167.3 | -170 | 176.2 | 32 | 0 | 0 | 109.7 | C136 N137 M160 L161 G182 L184 | C136-Q155 PolarHBondContact N-O 2.86Å; N137-Q155 PolarHBondContact ND2-OE1 3.48Å; N137-Q155 VanDerWaalsContact ND2-OE1 3.16Å; N137-Q155 PolarHBondContact O-N 3.32Å; N137-Q155 VanDerWaalsContact OD1-CB 3.23Å; N137-Q155 WeakPolarHBondContact OD1-CB 3.47Å; N137-Q155 PolarHBondContact OD1-OE1 2.92Å; Q155-M160 WeakPolarHBondContact CA-O 3.47Å; Q155-L161 HydrophobicContact CB-CD2 4.03Å; Q155-L161 HydrophobicContact CG-CD2 3.98Å; Q155-G182 PolarHBondContact OE1-O 3.14Å; Q155-L184 HydrophobicContact CB-CD2 4.16Å |
| 156 | S | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 158 | 170.5 | 67.3 | 0 | 0 | 0 | 0 | 112.3 | T134 D158 G159 M160 | T134-S156 CarbonylContact O-C 3.56Å; T134-S156 VanDerWaalsContact O-CA 3.26Å; T134-S156 WeakPolarHBondContact O-CA 3.39Å; T134-S156 WeakPolarHBondContact O-CB 3.4Å; S156-D158 WeakPolarHBondContact CB-OD1 3.45Å; S156-D158 PolarHBondContact O-N 3.43Å; S156-D158 VanDerWaalsContact O-N 3.12Å; S156-D158 PolarHBondContact OG-OD1 2.94Å; S156-G159 PolarHBondContact O-N 3Å; S156-G159 PolarHBondContact OG-N 2.84Å; S156-M160 PolarHBondContact N-O 3.41Å; S156-M160 WeakPolarHBondContact OG-CA 3.44Å; S156-M160 VanDerWaalsContact OG-CB 3.25Å; S156-M160 WeakPolarHBondContact OG-CB 3.37Å; S156-M160 PolarHBondContact OG-N 2.72Å; S156-M160 PolarHBondContact OG-O 2.71Å |
| 157 | M | 95.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 34.7 Ų | 34.7 | 46% | 0.463 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.5 | 176.6 | -69.9 | -63 | -63 | 0 | 0 | 113.7 | T134 C136 F178 P181 | T134-M157 HydrophobicContact CG2-CG 3.9Å; T134-M157 PolarHBondContact O-N 3.23Å; C136-M157 HydrophobicContact CB-CG 4.29Å; C136-M157 HydrophobicContact CB-SD 3.48Å; C136-M157 WeakPolarHBondContact CB-SD 3.44Å; M157-F178 VanDerWaalsContact O-CE1 3.29Å; M157-F178 WeakPolarHBondContact O-CE1 3.27Å; M157-P181 HydrophobicContact CE-CG 4.14Å; M157-P181 HydrophobicContact SD-CG 3.95Å |
| 158 | D | 92.5 | Very high | 94.9 | Very high | 64 Ų | 64 | 28.2 Ų | 28.2 | 34% | 0.342 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 11.1 | 177.8 | 66.7 | -29.2 | 0 | 0 | 0 | 113.7 | R133 S156 F178 | R133-D158 IonicContact CZ-OD2 2.67Å; R133-D158 IonicContact NE-OD2 2.64Å; R133-D158 IonicContact NH1-OD2 3.27Å; R133-D158 PolarHBondContact NH1-OD2 3.33Å; S156-D158 WeakPolarHBondContact CB-OD1 3.45Å; S156-D158 PolarHBondContact O-N 3.43Å; S156-D158 VanDerWaalsContact O-N 3.12Å; S156-D158 PolarHBondContact OG-OD1 2.94Å; D158-F178 VanDerWaalsContact C-CD1 3.46Å; D158-F178 WeakPolarHBondContact O-CD1 3.45Å |
| 159 | G | 91.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 87.9 | 23.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116 | S156 L175 F178 | S156-G159 PolarHBondContact O-N 3Å; S156-G159 PolarHBondContact OG-N 2.84Å; G159-L175 PolarHBondContact O-N 3.3Å; G159-F178 VanDerWaalsContact CA-CD1 3.5Å; G159-F178 VanDerWaalsContact CA-CE1 3.41Å; G159-F178 VanDerWaalsContact CA-CG 3.47Å; G159-F178 VanDerWaalsContact N-CZ 3.26Å |
| 160 | M | 93.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.6 | 170.3 | -172.3 | 171.5 | 172.3 | 0 | 0 | 110 | R133 Q155 S156 M162 G172 R173 F174 A216 | R133-M160 PolarHBondContact NE-SD 2.77Å; Q155-M160 WeakPolarHBondContact CA-O 3.47Å; S156-M160 PolarHBondContact N-O 3.41Å; S156-M160 WeakPolarHBondContact OG-CA 3.44Å; S156-M160 VanDerWaalsContact OG-CB 3.25Å; S156-M160 WeakPolarHBondContact OG-CB 3.37Å; S156-M160 PolarHBondContact OG-N 2.72Å; S156-M160 PolarHBondContact OG-O 2.71Å; M160-M162 HydrophobicContact CE-CG 4.24Å; M160-M162 HydrophobicContact CG-CG 4.09Å; M160-M162 HydrophobicContact SD-CG 4.37Å; M160-G172 VanDerWaalsContact CE-CA 3.49Å; M160-R173 CarbonylContact C-O 3.47Å; M160-R173 WeakPolarHBondContact CA-O 3.23Å; M160-F174 HydrophobicContact CB-CD1 3.98Å; M160-F174 HydrophobicContact CB-CE1 3.96Å; M160-F174 HydrophobicContact CB-CZ 4.48Å; M160-F174 HydrophobicContact SD-CE2 4.24Å; M160-F174 HydrophobicContact SD-CZ 4.18Å; M160-A216 HydrophobicContact CE-CB 3.56Å; M160-A216 HydrophobicContact SD-CB 4.04Å |
| 161 | L | 95.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 114.4 | 166.5 | -60.9 | -172.9 | 0 | 0 | 0 | 108.5 | I154 Q155 G172 R173 L175 L184 L210 | I154-L161 CarbonylContact O-C 3.54Å; I154-L161 WeakPolarHBondContact O-CA 3.32Å; Q155-L161 HydrophobicContact CB-CD2 4.03Å; Q155-L161 HydrophobicContact CG-CD2 3.98Å; L161-G172 CarbonylContact O-C 3.6Å; L161-G172 WeakPolarHBondContact O-CA 3.45Å; L161-R173 PolarHBondContact N-O 3.49Å; L161-R173 PolarHBondContact O-N 2.88Å; L161-L175 HydrophobicContact CD1-CD2 3.85Å; L161-L175 HydrophobicContact CD1-CG 4.37Å; L161-L175 HydrophobicContact CD2-CD1 4.25Å; L161-L175 HydrophobicContact CG-CD1 4.24Å; L161-L175 HydrophobicContact CG-CD2 4.13Å; L161-L175 HydrophobicContact CG-CG 4.11Å; L161-L184 HydrophobicContact CD2-CD1 4.05Å; L161-L184 HydrophobicContact CD2-CD2 3.98Å; L161-L210 HydrophobicContact CD1-CD1 4.23Å; L161-L210 HydrophobicContact CD1-CD2 4.43Å |
| 162 | M | 96.1 | Very high | 95 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 3% | 0.034 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.4 | 178 | -64.2 | 177.9 | -67.2 | 0 | 0 | 109.1 | L131 C153 I154 M160 F164 Y169 | L131-M162 HydrophobicContact CD2-CE 4.31Å; C153-M162 CarbonylContact C-O 3.55Å; C153-M162 WeakPolarHBondContact CA-O 3.45Å; I154-M162 HydrophobicContact CB-CB 4.46Å; I154-M162 HydrophobicContact CB-CE 4.08Å; I154-M162 HydrophobicContact CG2-CE 3.67Å; I154-M162 PolarHBondContact N-O 3.48Å; I154-M162 PolarHBondContact O-N 3.28Å; M160-M162 HydrophobicContact CE-CG 4.24Å; M160-M162 HydrophobicContact CG-CG 4.09Å; M160-M162 HydrophobicContact SD-CG 4.37Å; M162-F164 HydrophobicContact CB-CD2 4.49Å; M162-F164 HydrophobicContact CB-CE2 3.6Å; M162-F164 HydrophobicContact CB-CZ 4.17Å; M162-F164 WeakPolarHBondContact O-CD2 3.16Å; M162-Y169 HydrophobicContact CB-CE2 4.18Å; M162-Y169 HydrophobicContact CG-CE2 4.47Å |
| 163 | V | 96.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.4 | -177.3 | -179.6 | 0 | 0 | 0 | 0 | 110 | F143 C153 A170 F171 Y207 | F143-V163 HydrophobicContact CD2-CG1 3.91Å; F143-V163 HydrophobicContact CE2-CG1 4.12Å; C153-V163 HydrophobicContact CB-CG2 4.31Å; V163-A170 HydrophobicContact CG1-CB 4.34Å; V163-A170 WeakPolarHBondContact O-CB 3.32Å; V163-A170 PolarHBondContact O-N 3.4Å; V163-F171 HydrophobicContact CB-CD2 4.5Å; V163-F171 HydrophobicContact CB-CE1 4.24Å; V163-F171 HydrophobicContact CB-CE2 4.16Å; V163-F171 HydrophobicContact CB-CZ 4.03Å; V163-F171 HydrophobicContact CG1-CE1 4.37Å; V163-F171 HydrophobicContact CG1-CZ 4.37Å; V163-F171 HydrophobicContact CG2-CD2 4.39Å; V163-F171 HydrophobicContact CG2-CE1 4.48Å; V163-F171 HydrophobicContact CG2-CE2 3.72Å; V163-F171 HydrophobicContact CG2-CZ 3.78Å; V163-F171 PolarHBondContact N-O 3.29Å; V163-F171 PolarHBondContact O-N 3.5Å; V163-Y207 HydrophobicContact CG1-CE2 4.34Å |
| 164 | F | 96.2 | Very high | 94.5 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.4 | 178.8 | -62 | -94.7 | 0 | 0 | 0 | 109.5 | H129 L131 I152 I154 M162 Q166 S168 Y169 | H129-F164 HydrophobicContact CB-CD1 4.21Å; H129-F164 HydrophobicContact CB-CE1 3.82Å; H129-F164 AromaticContact CD2-CD1 3.54Å; H129-F164 AromaticContact CG-CD1 3.67Å; H129-F164 AromaticContact CG-CE1 3.73Å; H129-F164 AromaticContact ND1-CD1 3.97Å; H129-F164 AromaticContact NE2-CD1 3.77Å; L131-F164 HydrophobicContact CD2-CE1 4.38Å; L131-F164 HydrophobicContact CD2-CE2 4.14Å; L131-F164 HydrophobicContact CD2-CZ 3.56Å; I152-F164 PolarHBondContact N-O 3.47Å; I152-F164 PolarHBondContact O-N 3.46Å; I154-F164 HydrophobicContact CB-CE2 4.29Å; I154-F164 HydrophobicContact CD1-CD2 4.06Å; I154-F164 HydrophobicContact CD1-CE2 3.63Å; I154-F164 HydrophobicContact CD1-CZ 4.34Å; I154-F164 HydrophobicContact CG1-CD2 4.26Å; I154-F164 HydrophobicContact CG1-CE2 4.05Å; M162-F164 HydrophobicContact CB-CD2 4.49Å; M162-F164 HydrophobicContact CB-CE2 3.6Å; M162-F164 HydrophobicContact CB-CZ 4.17Å; M162-F164 WeakPolarHBondContact O-CD2 3.16Å; F164-Q166 PolarHBondContact O-N 3.35Å; F164-S168 CarbonylContact C-O 3.59Å; F164-S168 WeakPolarHBondContact CA-O 3.23Å; F164-Y169 HydrophobicContact CD1-CD2 4Å; F164-Y169 AromaticContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CG 4.23Å; F164-Y169 HydrophobicContact CE2-CD2 4.36Å; F164-Y169 AromaticContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CE2 4.29Å |
| 165 | E | 94.4 | Very high | 94.2 | Very high | 80 Ų | 80 | 30.7 Ų | 30.7 | 37% | 0.374 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 82.2 | 168.9 | -75.5 | -178.1 | -161.5 | 0 | 0 | 108.8 | L151 E167 S168 A170 | L151-E165 HydrophobicContact CD1-CG 3.92Å; L151-E165 HydrophobicContact CD2-CB 4.32Å; L151-E165 HydrophobicContact CD2-CG 4.29Å; E165-E167 PolarHBondContact O-N 3.44Å; E165-E167 VanDerWaalsContact O-N 3.12Å; E165-S168 CarbonylContact C-O 3.57Å; E165-S168 PolarHBondContact N-O 2.87Å; E165-S168 PolarHBondContact O-N 2.87Å; E165-S168 PolarHBondContact O-OG 2.8Å; E165-A170 HydrophobicContact CG-CB 4.03Å |
| 166 | Q | 92.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -113.2 | -177.2 | -59.1 | 178.5 | -50.9 | 0 | 0 | 111.1 | K85 F86 V87 S88 Y127 H129 L151 F164 S168 | K85-Q166 PolarHBondContact O-NE2 2.95Å; F86-Q166 WeakPolarHBondContact O-CB 3.41Å; F86-Q166 WeakPolarHBondContact O-CG 3.44Å; V87-Q166 PolarHBondContact O-NE2 3.01Å; S88-Q166 VanDerWaalsContact CB-OE1 3.28Å; Y127-Q166 WeakPolarHBondContact CE2-O 3.12Å; Y127-Q166 WeakPolarHBondContact OH-CA 3.47Å; Y127-Q166 PolarHBondContact OH-O 2.94Å; H129-Q166 PolarHBondContact NE2-O 3.35Å; L151-Q166 HydrophobicContact CD2-CG 3.99Å; F164-Q166 PolarHBondContact O-N 3.35Å; Q166-S168 PolarHBondContact O-N 3.38Å; Q166-S168 VanDerWaalsContact O-N 3.16Å |
| 167 | E | 94.9 | Very high | 93 | Very high | 72 Ų | 72 | 36.9 Ų | 36.9 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.3 | -178.9 | -53.8 | 86.5 | 167 | 0 | 0 | 114.1 | S88 Y127 H129 E165 | S88-E167 WeakPolarHBondContact CB-OE1 3.33Å; S88-E167 VanDerWaalsContact CB-OE2 3.26Å; S88-E167 WeakPolarHBondContact CB-OE2 3.41Å; S88-E167 PolarHBondContact N-OE1 3.13Å; S88-E167 PolarHBondContact OG-OE1 3.36Å; S88-E167 PolarHBondContact OG-OE2 3.02Å; S88-E167 VanDerWaalsContact OG-OE2 3.07Å; Y127-E167 HydrophobicContact CD1-CG 3.7Å; Y127-E167 HydrophobicContact CE1-CG 3.98Å; Y127-E167 HydrophobicContact CG-CG 4.05Å; H129-E167 VanDerWaalsContact CE1-C 3.41Å; H129-E167 PolarHBondContact CE1-O 3.22Å; E165-E167 PolarHBondContact O-N 3.44Å; E165-E167 VanDerWaalsContact O-N 3.12Å |
| 168 | S | 94.3 | Very high | 92.7 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.1 | -176.2 | 65 | 0 | 0 | 0 | 0 | 112.8 | F164 E165 Q166 A170 | F164-S168 CarbonylContact C-O 3.59Å; F164-S168 WeakPolarHBondContact CA-O 3.23Å; E165-S168 CarbonylContact C-O 3.57Å; E165-S168 PolarHBondContact N-O 2.87Å; E165-S168 PolarHBondContact O-N 2.87Å; E165-S168 PolarHBondContact O-OG 2.8Å; Q166-S168 PolarHBondContact O-N 3.38Å; Q166-S168 VanDerWaalsContact O-N 3.16Å; S168-A170 PolarHBondContact O-N 3.22Å |
| 169 | Y | 94.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 35% | 0.345 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.1 | 166.6 | 173.5 | -106.4 | 0 | 0 | 0 | 109 | M162 F164 G172 | M162-Y169 HydrophobicContact CB-CE2 4.18Å; M162-Y169 HydrophobicContact CG-CE2 4.47Å; F164-Y169 HydrophobicContact CD1-CD2 4Å; F164-Y169 AromaticContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CD2 3.54Å; F164-Y169 HydrophobicContact CE1-CG 4.23Å; F164-Y169 HydrophobicContact CE2-CD2 4.36Å; F164-Y169 AromaticContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CD2 3.74Å; F164-Y169 HydrophobicContact CZ-CE2 4.29Å; Y169-G172 PolarHBondContact OH-N 3.43Å; Y169-G172 VanDerWaalsContact OH-N 3.11Å |
| 170 | A | 92.8 | Very high | 92.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 30% | 0.298 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -59.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V163 E165 S168 | V163-A170 HydrophobicContact CG1-CB 4.34Å; V163-A170 WeakPolarHBondContact O-CB 3.32Å; V163-A170 PolarHBondContact O-N 3.4Å; E165-A170 HydrophobicContact CG-CB 4.03Å; S168-A170 PolarHBondContact O-N 3.22Å |
| 171 | F | 93.4 | Very high | 92.7 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 169 | -178.8 | 62 | -96.8 | 0 | 0 | 0 | 111.5 | V163 R173 Y207 L210 A211 | V163-F171 HydrophobicContact CB-CD2 4.5Å; V163-F171 HydrophobicContact CB-CE1 4.24Å; V163-F171 HydrophobicContact CB-CE2 4.16Å; V163-F171 HydrophobicContact CB-CZ 4.03Å; V163-F171 HydrophobicContact CG1-CE1 4.37Å; V163-F171 HydrophobicContact CG1-CZ 4.37Å; V163-F171 HydrophobicContact CG2-CD2 4.39Å; V163-F171 HydrophobicContact CG2-CE1 4.48Å; V163-F171 HydrophobicContact CG2-CE2 3.72Å; V163-F171 HydrophobicContact CG2-CZ 3.78Å; V163-F171 PolarHBondContact N-O 3.29Å; V163-F171 PolarHBondContact O-N 3.5Å; F171-R173 HydrophobicContact CD2-CG 4.03Å; F171-R173 HydrophobicContact CE2-CG 4.22Å; F171-Y207 HydrophobicContact CE1-CE2 4.28Å; F171-Y207 HydrophobicContact CZ-CE2 4.08Å; F171-L210 HydrophobicContact CE2-CB 4.16Å; F171-A211 HydrophobicContact CD1-CB 4.44Å; F171-A211 HydrophobicContact CE1-CB 3.65Å; F171-A211 VanDerWaalsContact CZ-CA 3.5Å; F171-A211 HydrophobicContact CZ-CB 3.7Å |
| 172 | G | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 146.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | M160 L161 Y169 A216 | M160-G172 VanDerWaalsContact CE-CA 3.49Å; L161-G172 CarbonylContact O-C 3.6Å; L161-G172 WeakPolarHBondContact O-CA 3.45Å; Y169-G172 PolarHBondContact OH-N 3.43Å; Y169-G172 VanDerWaalsContact OH-N 3.11Å; G172-A216 PolarHBondContact O-N 2.9Å |
| 173 | R | 93.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.6 | -173.8 | -59.7 | -62.8 | 177.1 | -96.7 | 1.5 | 111.9 | M160 L161 F171 L210 A211 A213 T214 D215 | M160-R173 CarbonylContact C-O 3.47Å; M160-R173 WeakPolarHBondContact CA-O 3.23Å; L161-R173 PolarHBondContact N-O 3.49Å; L161-R173 PolarHBondContact O-N 2.88Å; F171-R173 HydrophobicContact CD2-CG 4.03Å; F171-R173 HydrophobicContact CE2-CG 4.22Å; R173-L210 HydrophobicContact CB-CD2 3.96Å; R173-L210 WeakPolarHBondContact CD-O 3.22Å; R173-L210 HydrophobicContact CG-CB 4.45Å; R173-L210 HydrophobicContact CG-CD2 4.23Å; R173-L210 WeakPolarHBondContact CG-O 3.5Å; R173-L210 PolarHBondContact NE-O 3.38Å; R173-A211 PolarHBondContact NH2-O 2.79Å; R173-A213 PolarHBondContact NE-O 3.16Å; R173-A213 PolarHBondContact NH2-O 2.88Å; R173-T214 WeakPolarHBondContact CD-O 3.32Å; R173-D215 IonicContact CZ-OD2 3.6Å; R173-D215 IonicContact NH1-OD1 2.77Å; R173-D215 PolarHBondContact NH1-OD1 2.83Å; R173-D215 VanDerWaalsContact NH1-OD1 3.11Å; R173-D215 IonicContact NH1-OD2 2.75Å; R173-D215 PolarHBondContact NH1-OD2 3.34Å; R173-D215 IonicContact NH2-OD2 2.78Å |
| 174 | F | 91.6 | Very high | 92.7 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131.4 | 171.3 | -76.1 | -77.2 | 0 | 0 | 0 | 111.6 | M160 A216 | M160-F174 HydrophobicContact CB-CD1 3.98Å; M160-F174 HydrophobicContact CB-CE1 3.96Å; M160-F174 HydrophobicContact CB-CZ 4.48Å; M160-F174 HydrophobicContact SD-CE2 4.24Å; M160-F174 HydrophobicContact SD-CZ 4.18Å; F174-A216 HydrophobicContact CD2-CB 3.66Å; F174-A216 HydrophobicContact CE2-CB 3.6Å |
| 175 | L | 91.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 137.8 | 170.5 | -65.4 | 175.5 | 0 | 0 | 0 | 110.6 | G159 L161 F178 T195 Y205 | G159-L175 PolarHBondContact O-N 3.3Å; L161-L175 HydrophobicContact CD1-CD2 3.85Å; L161-L175 HydrophobicContact CD1-CG 4.37Å; L161-L175 HydrophobicContact CD2-CD1 4.25Å; L161-L175 HydrophobicContact CG-CD1 4.24Å; L161-L175 HydrophobicContact CG-CD2 4.13Å; L161-L175 HydrophobicContact CG-CG 4.11Å; L175-F178 HydrophobicContact CB-CB 4.48Å; L175-F178 HydrophobicContact CB-CD2 4.32Å; L175-F178 HydrophobicContact CD1-CD2 4.25Å; L175-T195 HydrophobicContact CD1-CG2 4.03Å; L175-Y205 HydrophobicContact CD2-CD2 4.06Å; L175-Y205 HydrophobicContact CD2-CE1 4.17Å; L175-Y205 HydrophobicContact CD2-CE2 3.66Å; L175-Y205 HydrophobicContact CD2-CG 4.48Å |
| 176 | P | 87.5 | Confident | 92.7 | Very high | 60 Ų | 60 | 41.7 Ų | 41.7 | 39% | 0.39 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 143 | 176.9 | 30.7 | -35.4 | 0 | 0 | 0 | 111.1 | F178 Y205 | P176-F178 VanDerWaalsContact C-N 3.28Å; P176-F178 PolarHBondContact O-N 2.88Å; P176-Y205 WeakPolarHBondContact CD-OH 3.37Å; P176-Y205 HydrophobicContact CG-CE1 4.43Å |
| 177 | G | 82.5 | Confident | 92.8 | Very high | 70 Ų | 70 | 41.4 Ų | 41.4 | 72% | 0.722 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 23.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 178 | F | 88.2 | Confident | 92.6 | Very high | 49 Ų | 49 | 41 Ų | 41 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | trans | -77.6 | 144.9 | -175.4 | -171.8 | -85.6 | 0 | 0 | 0 | 113.2 | M157 D158 G159 L175 P176 L180 P181 | M157-F178 VanDerWaalsContact O-CE1 3.29Å; M157-F178 WeakPolarHBondContact O-CE1 3.27Å; D158-F178 VanDerWaalsContact C-CD1 3.46Å; D158-F178 WeakPolarHBondContact O-CD1 3.45Å; G159-F178 VanDerWaalsContact CA-CD1 3.5Å; G159-F178 VanDerWaalsContact CA-CE1 3.41Å; G159-F178 VanDerWaalsContact CA-CG 3.47Å; G159-F178 VanDerWaalsContact N-CZ 3.26Å; L175-F178 HydrophobicContact CB-CB 4.48Å; L175-F178 HydrophobicContact CB-CD2 4.32Å; L175-F178 HydrophobicContact CD1-CD2 4.25Å; P176-F178 VanDerWaalsContact C-N 3.28Å; P176-F178 PolarHBondContact O-N 2.88Å; F178-L180 WeakPolarHBondContact CE2-O 3.25Å; F178-L180 WeakPolarHBondContact CZ-O 3.22Å; F178-P181 HydrophobicContact CE2-CB 4.39Å; F178-P181 HydrophobicContact CZ-CB 3.87Å; F178-P181 HydrophobicContact CZ-CG 4.49Å | ||
| 179 | L | 90.4 | Very high | 92.5 | Very high | 131 Ų | 131 | 45 Ų | 45 | 69% | 0.686 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -137.9 | -50.7 | 170.7 | -178.6 | 66.7 | 0 | 0 | 0 | 111.8 | ||
| 180 | L | 93.5 | Very high | 92.3 | Very high | 90 Ų | 90 | 42.7 Ų | 42.7 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -123.7 | 144.6 | 177.4 | -65.9 | 174.5 | 0 | 0 | 0 | 109.3 | F178 | F178-L180 WeakPolarHBondContact CE2-O 3.25Å; F178-L180 WeakPolarHBondContact CZ-O 3.22Å |
| 181 | P | 94 | Very high | 92.4 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | trans | -67.9 | 137.7 | 172.7 | 28.8 | -32.8 | 0 | 0 | 0 | 109.9 | C136 M157 F178 | C136-P181 HydrophobicContact CB-CB 3.9Å; C136-P181 HydrophobicContact CB-CG 3.99Å; C136-P181 WeakPolarHBondContact SG-CG 3.4Å; M157-P181 HydrophobicContact CE-CG 4.14Å; M157-P181 HydrophobicContact SD-CG 3.95Å; F178-P181 HydrophobicContact CE2-CB 4.39Å; F178-P181 HydrophobicContact CZ-CB 3.87Å; F178-P181 HydrophobicContact CZ-CG 4.49Å | ||
| 182 | G | 93.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 13% | 0.134 | 23% | 0.234 | C | C | . | . | trans | -108.7 | -178.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N137 Q155 V196 | N137-G182 PolarHBondContact ND2-O 3.43Å; N137-G182 VanDerWaalsContact ND2-O 3.1Å; Q155-G182 PolarHBondContact OE1-O 3.14Å; G182-V196 WeakPolarHBondContact CA-O 3.26Å | ||
| 183 | P | 96.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | trans | -65.8 | 152.4 | 175.8 | 31.5 | -37.9 | 0 | 0 | 0 | 110.5 | T195 V196 A245 I248 | P183-T195 VanDerWaalsContact O-CA 3.24Å; P183-T195 WeakPolarHBondContact O-CA 3.5Å; P183-T195 WeakPolarHBondContact O-CB 3.5Å; P183-T195 PolarHBondContact O-OG1 3.39Å; P183-V196 HydrophobicContact CG-CB 4.49Å; P183-V196 HydrophobicContact CG-CG2 4.29Å; P183-A245 VanDerWaalsContact CD-O 3.25Å; P183-A245 WeakPolarHBondContact CD-O 3.49Å; P183-A245 HydrophobicContact CG-CB 3.77Å; P183-I248 HydrophobicContact CB-CB 4.2Å; P183-I248 HydrophobicContact CB-CG2 3.62Å; P183-I248 HydrophobicContact CG-CB 4.16Å; P183-I248 HydrophobicContact CG-CG2 3.98Å | ||
| 184 | L | 96.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 128.8 | -176.6 | -177.6 | 71.7 | 0 | 0 | 0 | 110.4 | T139 Q155 L161 F193 L194 | T139-L184 HydrophobicContact CG2-CD2 3.77Å; T139-L184 HydrophobicContact CG2-CG 3.86Å; Q155-L184 HydrophobicContact CB-CD2 4.16Å; L161-L184 HydrophobicContact CD2-CD1 4.05Å; L161-L184 HydrophobicContact CD2-CD2 3.98Å; L184-F193 HydrophobicContact CD1-CB 4.32Å; L184-L194 WeakPolarHBondContact CA-O 3.22Å |
| 185 | A | 96.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 157.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F193 L194 I248 I250 | A185-F193 CarbonylContact O-C 3.47Å; A185-F193 WeakPolarHBondContact O-CA 3.46Å; A185-L194 PolarHBondContact N-O 3.31Å; A185-L194 PolarHBondContact O-N 3.17Å; A185-I248 HydrophobicContact CB-CG1 4.36Å; A185-I248 HydrophobicContact CB-CG2 3.71Å; A185-I250 HydrophobicContact CB-CD1 3.46Å; A185-I250 VanDerWaalsContact CB-CD1 3.46Å; A185-I250 HydrophobicContact CB-CG1 3.87Å |
| 186 | Y | 95.5 | Very high | 93.3 | Very high | 21 Ų | 21 | 37 Ų | 37 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.2 | 176.8 | 174.2 | -102.4 | 0 | 0 | 0 | 112 | T139 S142 F143 D191 F193 I250 | T139-Y186 PolarHBondContact OG1-N 2.94Å; S142-Y186 PolarHBondContact O-OH 3.1Å; F143-Y186 WeakPolarHBondContact CA-OH 3.49Å; F143-Y186 AromaticContact CD1-CD1 3.84Å; F143-Y186 HydrophobicContact CD1-CD1 3.84Å; F143-Y186 AromaticContact CD1-CD2 3.57Å; F143-Y186 HydrophobicContact CD1-CD2 3.57Å; F143-Y186 AromaticContact CD1-CE1 3.82Å; F143-Y186 HydrophobicContact CD1-CE1 3.82Å; F143-Y186 AromaticContact CD1-CE2 3.57Å; F143-Y186 HydrophobicContact CD1-CE2 3.57Å; F143-Y186 AromaticContact CD1-CG 3.72Å; F143-Y186 HydrophobicContact CD1-CG 3.72Å; F143-Y186 AromaticContact CD1-CZ 3.71Å; F143-Y186 AromaticContact CE1-CD1 3.87Å; F143-Y186 HydrophobicContact CE1-CD1 3.87Å; F143-Y186 AromaticContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CD2 3.74Å; F143-Y186 HydrophobicContact CE1-CE1 4.33Å; F143-Y186 HydrophobicContact CE1-CE2 4.23Å; F143-Y186 AromaticContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CE1-CG 3.55Å; F143-Y186 HydrophobicContact CG-CE2 4.39Å; Y186-D191 PolarHBondContact OH-OD1 3.26Å; Y186-F193 AromaticContact CD2-CD1 3.99Å; Y186-F193 HydrophobicContact CD2-CD1 3.99Å; Y186-F193 AromaticContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CG 4.42Å; Y186-F193 HydrophobicContact CD2-CZ 4.16Å; Y186-F193 HydrophobicContact CG-CE1 4.4Å; Y186-I250 WeakPolarHBondContact O-CD1 3.33Å |
| 187 | S | 94.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 111.2 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | R189 T190 D191 S192 | S187-R189 VanDerWaalsContact C-N 3.28Å; S187-R189 PolarHBondContact O-N 2.92Å; S187-T190 VanDerWaalsContact CB-OG1 3.27Å; S187-T190 WeakPolarHBondContact CB-OG1 3.43Å; S187-T190 PolarHBondContact OG-N 3.29Å; S187-T190 PolarHBondContact OG-OG1 3.36Å; S187-D191 VanDerWaalsContact O-CA 3.25Å; S187-D191 WeakPolarHBondContact O-CA 3.36Å; S187-D191 PolarHBondContact O-N 2.91Å; S187-S192 PolarHBondContact N-O 3.36Å; S187-S192 PolarHBondContact O-N 3.4Å |
| 188 | S | 91.3 | Very high | 94 | Very high | 65 Ų | 65 | 32.5 Ų | 32.5 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -27.8 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | ||
| 189 | R | 90.7 | Very high | 94.2 | Very high | 141 Ų | 141 | 33.6 Ų | 33.6 | 53% | 0.532 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -44.3 | 179.8 | 176.6 | -176.3 | -91.3 | -165.9 | -9.3 | 112.2 | S187 D273 | S187-R189 VanDerWaalsContact C-N 3.28Å; S187-R189 PolarHBondContact O-N 2.92Å; R189-D273 WeakPolarHBondContact CD-OD2 2.84Å; R189-D273 IonicContact CZ-OD2 3.7Å; R189-D273 IonicContact NE-OD2 3.07Å; R189-D273 IonicContact NH1-OD2 2.83Å; R189-D273 PolarHBondContact NH1-OD2 3.31Å |
| 190 | T | 92.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 30.9 Ų | 30.9 | 25% | 0.252 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.7 | -178.3 | 55 | 0 | 0 | 0 | 0 | 112.8 | S187 S192 D273 | S187-T190 VanDerWaalsContact CB-OG1 3.27Å; S187-T190 WeakPolarHBondContact CB-OG1 3.43Å; S187-T190 PolarHBondContact OG-N 3.29Å; S187-T190 PolarHBondContact OG-OG1 3.36Å; T190-S192 VanDerWaalsContact C-N 3.3Å; T190-S192 PolarHBondContact O-N 2.8Å; T190-S192 PolarHBondContact O-OG 3.28Å; T190-D273 HydrophobicContact CG2-CB 3.85Å |
| 191 | D | 94.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 15% | 0.15 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 52.6 | -173.8 | -169.5 | 35.1 | 0 | 0 | 0 | 111.9 | G144 Y186 S187 Y207 | G144-D191 WeakPolarHBondContact CA-OD2 3.33Å; G144-D191 PolarHBondContact N-OD1 2.87Å; Y186-D191 PolarHBondContact OH-OD1 3.26Å; S187-D191 VanDerWaalsContact O-CA 3.25Å; S187-D191 WeakPolarHBondContact O-CA 3.36Å; S187-D191 PolarHBondContact O-N 2.91Å; D191-Y207 PolarHBondContact O-N 3.08Å |
| 192 | S | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.8 | -171.6 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | S187 T190 S204 Y205 K206 | S187-S192 PolarHBondContact N-O 3.36Å; S187-S192 PolarHBondContact O-N 3.4Å; T190-S192 VanDerWaalsContact C-N 3.3Å; T190-S192 PolarHBondContact O-N 2.8Å; T190-S192 PolarHBondContact O-OG 3.28Å; S192-S204 WeakPolarHBondContact CB-OG 3.47Å; S192-Y205 CarbonylContact C-O 3.59Å; S192-Y205 VanDerWaalsContact CA-O 3.28Å; S192-Y205 WeakPolarHBondContact CA-O 3.43Å; S192-K206 WeakPolarHBondContact OG-CG 3.46Å |
| 193 | F | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 138.8 | 166.5 | -60.7 | -83.9 | 0 | 0 | 0 | 109.9 | T139 F143 C153 L184 A185 Y186 S204 Y205 Y207 L210 | T139-F193 HydrophobicContact CG2-CD1 3.98Å; T139-F193 HydrophobicContact CG2-CE1 4.05Å; F143-F193 HydrophobicContact CD1-CE1 4.17Å; F143-F193 HydrophobicContact CD1-CZ 4.04Å; F143-F193 HydrophobicContact CD2-CE1 4.46Å; F143-F193 AromaticContact CD2-CZ 3.9Å; F143-F193 HydrophobicContact CD2-CZ 3.9Å; F143-F193 AromaticContact CE1-CE1 3.66Å; F143-F193 HydrophobicContact CE1-CE1 3.66Å; F143-F193 AromaticContact CE1-CZ 3.95Å; F143-F193 HydrophobicContact CE1-CZ 3.95Å; F143-F193 AromaticContact CE2-CE1 3.99Å; F143-F193 HydrophobicContact CE2-CE1 3.99Å; F143-F193 AromaticContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CE2-CZ 3.81Å; F143-F193 HydrophobicContact CG-CZ 4.03Å; F143-F193 AromaticContact CZ-CE1 3.57Å; F143-F193 HydrophobicContact CZ-CE1 3.57Å; F143-F193 AromaticContact CZ-CZ 3.85Å; F143-F193 HydrophobicContact CZ-CZ 3.85Å; C153-F193 HydrophobicContact CB-CD1 4.27Å; C153-F193 HydrophobicContact CB-CE1 3.48Å; C153-F193 VanDerWaalsContact CB-CE1 3.48Å; C153-F193 HydrophobicContact CB-CZ 3.94Å; L184-F193 HydrophobicContact CD1-CB 4.32Å; A185-F193 CarbonylContact O-C 3.47Å; A185-F193 WeakPolarHBondContact O-CA 3.46Å; Y186-F193 AromaticContact CD2-CD1 3.99Å; Y186-F193 HydrophobicContact CD2-CD1 3.99Å; Y186-F193 AromaticContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CE1 3.83Å; Y186-F193 HydrophobicContact CD2-CG 4.42Å; Y186-F193 HydrophobicContact CD2-CZ 4.16Å; Y186-F193 HydrophobicContact CG-CE1 4.4Å; F193-S204 CarbonylContact O-C 3.56Å; F193-S204 WeakPolarHBondContact O-CA 3.33Å; F193-Y205 PolarHBondContact N-O 2.84Å; F193-Y205 PolarHBondContact O-N 3.46Å; F193-Y207 AromaticContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CG 4.49Å; F193-Y207 HydrophobicContact CZ-CD2 4.14Å; F193-L210 HydrophobicContact CD2-CD1 3.33Å; F193-L210 HydrophobicContact CE2-CD1 3.8Å; F193-L210 HydrophobicContact CG-CD1 4.3Å |
| 194 | L | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.2 | 176.9 | -66.9 | 97.6 | 0 | 0 | 0 | 109.4 | L184 A185 E203 W237 I248 I250 V260 | L184-L194 WeakPolarHBondContact CA-O 3.22Å; A185-L194 PolarHBondContact N-O 3.31Å; A185-L194 PolarHBondContact O-N 3.17Å; L194-E203 WeakPolarHBondContact CA-O 3.43Å; L194-W237 HydrophobicContact CD2-CH2 3.5Å; L194-W237 HydrophobicContact CD2-CZ2 3.5Å; L194-W237 VanDerWaalsContact CD2-CZ2 3.5Å; L194-I248 HydrophobicContact CB-CD1 3.74Å; L194-I250 HydrophobicContact CD1-CD1 3.56Å; L194-V260 HydrophobicContact CD2-CB 4.36Å; L194-V260 HydrophobicContact CD2-CG1 3.82Å; L194-V260 HydrophobicContact CD2-CG2 3.74Å |
| 195 | T | 96.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 166.1 | 174.6 | -167.5 | 0 | 0 | 0 | 0 | 110.4 | L175 P183 V202 E203 Y205 | L175-T195 HydrophobicContact CD1-CG2 4.03Å; P183-T195 VanDerWaalsContact O-CA 3.24Å; P183-T195 WeakPolarHBondContact O-CA 3.5Å; P183-T195 WeakPolarHBondContact O-CB 3.5Å; P183-T195 PolarHBondContact O-OG1 3.39Å; T195-V202 CarbonylContact O-C 3.51Å; T195-V202 WeakPolarHBondContact O-CA 3.46Å; T195-E203 HydrophobicContact CG2-CB 4.47Å; T195-E203 PolarHBondContact N-O 3.5Å; T195-E203 PolarHBondContact O-N 3.22Å; T195-Y205 HydrophobicContact CG2-CE2 4.16Å |
| 196 | V | 96.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.6 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 109 | G182 P183 Q201 V202 I241 A245 V262 | G182-V196 WeakPolarHBondContact CA-O 3.26Å; P183-V196 HydrophobicContact CG-CB 4.49Å; P183-V196 HydrophobicContact CG-CG2 4.29Å; V196-Q201 CarbonylContact C-O 3.53Å; V196-Q201 VanDerWaalsContact CA-O 3.29Å; V196-Q201 WeakPolarHBondContact CA-O 3.4Å; V196-V202 HydrophobicContact CG2-CB 4.5Å; V196-V202 HydrophobicContact CG2-CG2 3.95Å; V196-I241 HydrophobicContact CG1-CD1 4.02Å; V196-A245 HydrophobicContact CB-CB 3.82Å; V196-A245 HydrophobicContact CG1-CB 3.93Å; V196-A245 HydrophobicContact CG2-CB 3.54Å; V196-V262 HydrophobicContact CG2-CG1 4.13Å |
| 197 | S | 93.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 30 Ų | 30 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | trans | -78.1 | 162.2 | -177.3 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | C199 Q200 Q201 E203 | S197-C199 PolarHBondContact O-N 2.9Å; S197-C199 PolarHBondContact OG-SG 3.41Å; S197-Q200 PolarHBondContact O-N 2.94Å; S197-Q201 PolarHBondContact N-O 2.77Å; S197-E203 WeakPolarHBondContact CB-OE1 3.38Å; S197-E203 PolarHBondContact OG-OE1 3.24Å | ||
| 198 | S | 92.9 | Very high | 94.4 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.5 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | Q200 | S198-Q200 PolarHBondContact O-N 3.38Š|
| 199 | C | 92.8 | Very high | 94.5 | Very high | 72 Ų | 72 | 35.3 Ų | 35.3 | 49% | 0.486 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 19.1 | 172.3 | 72.5 | 0 | 0 | 0 | 0 | 114 | S197 Q201 | S197-C199 PolarHBondContact O-N 2.9Å; S197-C199 PolarHBondContact OG-SG 3.41Å; C199-Q201 VanDerWaalsContact C-N 3.27Å; C199-Q201 PolarHBondContact O-N 3.02Å; C199-Q201 PolarHBondContact O-NE2 2.74Å; C199-Q201 VanDerWaalsContact SG-CG 3.52Å |
| 200 | Q | 94.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 28.7 Ų | 28.7 | 34% | 0.341 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 65.9 | 28.4 | 172.1 | -51.6 | 174.4 | -5.4 | 0 | 0 | 113.3 | S197 S198 N240 I241 G242 E243 | S197-Q200 PolarHBondContact O-N 2.94Å; S198-Q200 PolarHBondContact O-N 3.38Å; Q200-N240 WeakPolarHBondContact O-CA 3.22Å; Q200-N240 PolarHBondContact O-OD1 3.08Å; Q200-I241 WeakPolarHBondContact O-CG1 3.43Å; Q200-I241 PolarHBondContact O-N 2.79Å; Q200-G242 PolarHBondContact OE1-O 3.27Å; Q200-E243 WeakPolarHBondContact CA-O 3.3Å; Q200-E243 VanDerWaalsContact CB-O 3.29Å; Q200-E243 WeakPolarHBondContact CB-O 3.46Å |
| 201 | Q | 95 | Very high | 94.4 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 17% | 0.168 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.5 | 176.8 | -56.1 | -62.9 | -49.1 | 0 | 0 | 109.8 | V196 S197 C199 E203 L239 N240 | V196-Q201 CarbonylContact C-O 3.53Å; V196-Q201 VanDerWaalsContact CA-O 3.29Å; V196-Q201 WeakPolarHBondContact CA-O 3.4Å; S197-Q201 PolarHBondContact N-O 2.77Å; C199-Q201 VanDerWaalsContact C-N 3.27Å; C199-Q201 PolarHBondContact O-N 3.02Å; C199-Q201 PolarHBondContact O-NE2 2.74Å; C199-Q201 VanDerWaalsContact SG-CG 3.52Å; Q201-E203 HydrophobicContact CB-CG 3.9Å; Q201-L239 CarbonylContact C-O 3.5Å; Q201-L239 WeakPolarHBondContact CA-O 3.19Å; Q201-N240 PolarHBondContact NE2-ND2 2.88Å; Q201-N240 VanDerWaalsContact NE2-ND2 3.17Å; Q201-N240 VanDerWaalsContact OE1-CA 3.31Å |
| 202 | V | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 122 | 159.6 | -174.3 | 0 | 0 | 0 | 0 | 107.2 | T195 V196 W237 T238 L239 I241 V262 L271 | T195-V202 CarbonylContact O-C 3.51Å; T195-V202 WeakPolarHBondContact O-CA 3.46Å; V196-V202 HydrophobicContact CG2-CB 4.5Å; V196-V202 HydrophobicContact CG2-CG2 3.95Å; V202-W237 HydrophobicContact CB-CZ3 4.27Å; V202-W237 HydrophobicContact CG1-CH2 3.97Å; V202-W237 HydrophobicContact CG1-CZ3 3.86Å; V202-T238 CarbonylContact O-C 3.53Å; V202-T238 VanDerWaalsContact O-CA 3.23Å; V202-T238 WeakPolarHBondContact O-CA 3.36Å; V202-L239 HydrophobicContact CB-CB 4.37Å; V202-L239 PolarHBondContact N-O 2.94Å; V202-L239 PolarHBondContact O-N 3.16Å; V202-I241 HydrophobicContact CG2-CD1 4.09Å; V202-I241 HydrophobicContact CG2-CG1 4.24Å; V202-I241 HydrophobicContact CG2-CG2 3.61Å; V202-V262 HydrophobicContact CG2-CG2 4.24Å; V202-L271 HydrophobicContact CB-CD1 4.32Å; V202-L271 HydrophobicContact CG1-CD1 3.97Å; V202-L271 HydrophobicContact CG2-CD1 4.24Å |
| 203 | E | 95.8 | Very high | 93.6 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.5 | -173.5 | -61.8 | 172.6 | -176.6 | 0 | 0 | 109.6 | L194 T195 S197 Q201 Y205 V235 T238 | L194-E203 WeakPolarHBondContact CA-O 3.43Å; T195-E203 HydrophobicContact CG2-CB 4.47Å; T195-E203 PolarHBondContact N-O 3.5Å; T195-E203 PolarHBondContact O-N 3.22Å; S197-E203 WeakPolarHBondContact CB-OE1 3.38Å; S197-E203 PolarHBondContact OG-OE1 3.24Å; Q201-E203 HydrophobicContact CB-CG 3.9Å; E203-Y205 HydrophobicContact CB-CD2 4.31Å; E203-Y205 HydrophobicContact CB-CE2 3.49Å; E203-Y205 VanDerWaalsContact CB-CE2 3.49Å; E203-Y205 WeakPolarHBondContact OE2-CE2 3.34Å; E203-Y205 PolarHBondContact OE2-OH 3.28Å; E203-V235 HydrophobicContact CB-CG1 3.99Å; E203-T238 HydrophobicContact CG-CG2 4.08Å |
| 204 | S | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.4 | 176.7 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | S192 F193 V235 D236 W237 | S192-S204 WeakPolarHBondContact CB-OG 3.47Å; F193-S204 CarbonylContact O-C 3.56Å; F193-S204 WeakPolarHBondContact O-CA 3.33Å; S204-V235 WeakPolarHBondContact O-CG1 3.41Å; S204-D236 VanDerWaalsContact O-CB 3.3Å; S204-D236 WeakPolarHBondContact O-CB 3.41Å; S204-D236 PolarHBondContact O-N 3.07Å; S204-W237 PolarHBondContact N-O 3.25Å; S204-W237 PolarHBondContact OG-NE1 2.74Å |
| 205 | Y | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 112.2 | -179.6 | -63.5 | -88.4 | 0 | 0 | 0 | 110.1 | L175 P176 S192 F193 T195 E203 Y207 L233 V235 | L175-Y205 HydrophobicContact CD2-CD2 4.06Å; L175-Y205 HydrophobicContact CD2-CE1 4.17Å; L175-Y205 HydrophobicContact CD2-CE2 3.66Å; L175-Y205 HydrophobicContact CD2-CG 4.48Å; P176-Y205 WeakPolarHBondContact CD-OH 3.37Å; P176-Y205 HydrophobicContact CG-CE1 4.43Å; S192-Y205 CarbonylContact C-O 3.59Å; S192-Y205 VanDerWaalsContact CA-O 3.28Å; S192-Y205 WeakPolarHBondContact CA-O 3.43Å; F193-Y205 PolarHBondContact N-O 2.84Å; F193-Y205 PolarHBondContact O-N 3.46Å; T195-Y205 HydrophobicContact CG2-CE2 4.16Å; E203-Y205 HydrophobicContact CB-CD2 4.31Å; E203-Y205 HydrophobicContact CB-CE2 3.49Å; E203-Y205 VanDerWaalsContact CB-CE2 3.49Å; E203-Y205 WeakPolarHBondContact OE2-CE2 3.34Å; E203-Y205 PolarHBondContact OE2-OH 3.28Å; Y205-Y207 PolarHBondContact O-N 2.84Å; Y205-L233 HydrophobicContact CD1-CD1 4.42Å; Y205-L233 HydrophobicContact CD1-CD2 4.1Å; Y205-L233 HydrophobicContact CD1-CG 4.15Å; Y205-L233 HydrophobicContact CE1-CD2 3.97Å; Y205-L233 HydrophobicContact CE1-CG 4.16Å; Y205-V235 HydrophobicContact CD1-CG1 4.39Å; Y205-V235 HydrophobicContact CE1-CB 4.12Å; Y205-V235 HydrophobicContact CE1-CG1 4.06Å; Y205-V235 HydrophobicContact CE1-CG2 3.64Å; Y205-V235 HydrophobicContact CE2-CG1 4.35Å |
| 206 | K | 95.2 | Very high | 90.3 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 133.8 | 174.7 | -77.3 | 173.2 | 171.5 | 148.9 | 0 | 111 | S192 Q208 V209 L210 D236 | S192-K206 WeakPolarHBondContact OG-CG 3.46Å; K206-Q208 VanDerWaalsContact C-N 3.29Å; K206-Q208 PolarHBondContact O-N 3.45Å; K206-V209 HydrophobicContact CB-CB 4.24Å; K206-V209 HydrophobicContact CB-CG2 3.87Å; K206-V209 WeakPolarHBondContact O-CB 3.33Å; K206-V209 PolarHBondContact O-N 3.01Å; K206-L210 PolarHBondContact O-N 3.19Å; K206-L210 VanDerWaalsContact O-N 3.13Å; K206-D236 HydrophobicContact CD-CB 4.45Å; K206-D236 VanDerWaalsContact CE-CG 3.45Å; K206-D236 VanDerWaalsContact CE-OD1 3.3Å; K206-D236 WeakPolarHBondContact CE-OD1 3.37Å; K206-D236 VanDerWaalsContact CE-OD2 3.25Å; K206-D236 WeakPolarHBondContact CE-OD2 3.31Å; K206-D236 HydrophobicContact CG-CB 4.25Å; K206-D236 IonicContact NZ-OD1 3.74Å; K206-D236 PolarHBondContact NZ-OD1 2.82Å; K206-D236 IonicContact NZ-OD2 2.8Å; K206-D236 PolarHBondContact NZ-OD2 3.28Å |
| 207 | Y | 94.3 | Very high | 88.6 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 11% | 0.106 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.8 | -46.2 | -179.6 | 167.8 | -100 | 0 | 0 | 0 | 111.7 | F143 V163 F171 D191 F193 Y205 V209 L210 A211 | F143-Y207 HydrophobicContact CB-CD2 3.67Å; F143-Y207 HydrophobicContact CB-CE2 3.59Å; F143-Y207 HydrophobicContact CB-CG 4.21Å; F143-Y207 HydrophobicContact CD2-CD2 4.48Å; F143-Y207 HydrophobicContact CD2-CE2 4.25Å; F143-Y207 HydrophobicContact CG-CD2 4.27Å; F143-Y207 HydrophobicContact CG-CE2 4.3Å; V163-Y207 HydrophobicContact CG1-CE2 4.34Å; F171-Y207 HydrophobicContact CE1-CE2 4.28Å; F171-Y207 HydrophobicContact CZ-CE2 4.08Å; D191-Y207 PolarHBondContact O-N 3.08Å; F193-Y207 AromaticContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CD2 3.79Å; F193-Y207 HydrophobicContact CE2-CG 4.49Å; F193-Y207 HydrophobicContact CZ-CD2 4.14Å; Y205-Y207 PolarHBondContact O-N 2.84Å; Y207-V209 VanDerWaalsContact C-N 3.3Å; Y207-V209 PolarHBondContact O-N 3.24Å; Y207-L210 WeakPolarHBondContact O-CB 3.34Å; Y207-L210 PolarHBondContact O-N 2.77Å; Y207-A211 PolarHBondContact O-N 3.44Å |
| 208 | Q | 92.5 | Very high | 86.9 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.3 | -40.2 | 177.7 | -63.8 | -179.3 | -2 | 0 | 0 | 112.4 | K206 L210 A211 F212 | K206-Q208 VanDerWaalsContact C-N 3.29Å; K206-Q208 PolarHBondContact O-N 3.45Å; Q208-L210 VanDerWaalsContact C-N 3.35Å; Q208-L210 PolarHBondContact O-N 2.84Å; Q208-A211 PolarHBondContact O-N 3.32Å; Q208-F212 HydrophobicContact CB-CD2 4.42Å; Q208-F212 HydrophobicContact CB-CE2 4.47Å; Q208-F212 WeakPolarHBondContact O-CB 3.27Å; Q208-F212 WeakPolarHBondContact O-CD2 3.42Å; Q208-F212 PolarHBondContact O-N 3.5Å |
| 209 | V | 92.3 | Very high | 85 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | -179.8 | 177 | 0 | 0 | 0 | 0 | 110.8 | K206 Y207 A213 L233 | K206-V209 HydrophobicContact CB-CB 4.24Å; K206-V209 HydrophobicContact CB-CG2 3.87Å; K206-V209 WeakPolarHBondContact O-CB 3.33Å; K206-V209 PolarHBondContact O-N 3.01Å; Y207-V209 VanDerWaalsContact C-N 3.3Å; Y207-V209 PolarHBondContact O-N 3.24Å; V209-A213 WeakPolarHBondContact O-CB 3.36Å; V209-A213 PolarHBondContact O-N 3.5Å; V209-A213 VanDerWaalsContact O-N 3.16Å; V209-L233 HydrophobicContact CG1-CD1 4.09Å |
| 210 | L | 92 | Very high | 82.9 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 172.7 | -72.8 | 162 | 0 | 0 | 0 | 111.2 | L161 F171 R173 F193 K206 Y207 Q208 F212 A213 L233 | L161-L210 HydrophobicContact CD1-CD1 4.23Å; L161-L210 HydrophobicContact CD1-CD2 4.43Å; F171-L210 HydrophobicContact CE2-CB 4.16Å; R173-L210 HydrophobicContact CB-CD2 3.96Å; R173-L210 WeakPolarHBondContact CD-O 3.22Å; R173-L210 HydrophobicContact CG-CB 4.45Å; R173-L210 HydrophobicContact CG-CD2 4.23Å; R173-L210 WeakPolarHBondContact CG-O 3.5Å; R173-L210 PolarHBondContact NE-O 3.38Å; F193-L210 HydrophobicContact CD2-CD1 3.33Å; F193-L210 HydrophobicContact CE2-CD1 3.8Å; F193-L210 HydrophobicContact CG-CD1 4.3Å; K206-L210 PolarHBondContact O-N 3.19Å; K206-L210 VanDerWaalsContact O-N 3.13Å; Y207-L210 WeakPolarHBondContact O-CB 3.34Å; Y207-L210 PolarHBondContact O-N 2.77Å; Q208-L210 VanDerWaalsContact C-N 3.35Å; Q208-L210 PolarHBondContact O-N 2.84Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.32Å; L210-A213 PolarHBondContact O-N 3.34Å; L210-L233 HydrophobicContact CD2-CD1 3.6Å; L210-L233 HydrophobicContact CD2-CD2 3.72Å; L210-L233 HydrophobicContact CD2-CG 4.32Å; L210-L233 HydrophobicContact CG-CD1 4.16Å |
| 211 | A | 89.9 | Confident | 80.5 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F171 R173 Y207 Q208 | F171-A211 HydrophobicContact CD1-CB 4.44Å; F171-A211 HydrophobicContact CE1-CB 3.65Å; F171-A211 VanDerWaalsContact CZ-CA 3.5Å; F171-A211 HydrophobicContact CZ-CB 3.7Å; R173-A211 PolarHBondContact NH2-O 2.79Å; Y207-A211 PolarHBondContact O-N 3.44Å; Q208-A211 PolarHBondContact O-N 3.32Å |
| 212 | F | 87.6 | Confident | 78 | Confident | 159 Ų | 159 | 65.4 Ų | 65.4 | 70% | 0.697 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -79.1 | -13.9 | 179.7 | -76.6 | -65 | 0 | 0 | 0 | 115.3 | Q208 L210 | Q208-F212 HydrophobicContact CB-CD2 4.42Å; Q208-F212 HydrophobicContact CB-CE2 4.47Å; Q208-F212 WeakPolarHBondContact O-CB 3.27Å; Q208-F212 WeakPolarHBondContact O-CD2 3.42Å; Q208-F212 PolarHBondContact O-N 3.5Å; L210-F212 VanDerWaalsContact C-N 3.32Å; L210-F212 PolarHBondContact O-N 3.32Å |
| 213 | A | 84.6 | Confident | 75.4 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -67.4 | 161.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R173 V209 L210 D215 L233 | R173-A213 PolarHBondContact NE-O 3.16Å; R173-A213 PolarHBondContact NH2-O 2.88Å; V209-A213 WeakPolarHBondContact O-CB 3.36Å; V209-A213 PolarHBondContact O-N 3.5Å; V209-A213 VanDerWaalsContact O-N 3.16Å; L210-A213 PolarHBondContact O-N 3.34Å; A213-D215 PolarHBondContact O-N 2.8Å; A213-L233 HydrophobicContact CB-CD1 4.1Å |
| 214 | T | 77.4 | Confident | 72.6 | Confident | 52 Ų | 52 | 82.6 Ų | 82.6 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 134.3 | -179.5 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | R173 G230 K231 | R173-T214 WeakPolarHBondContact CD-O 3.32Å; T214-G230 WeakPolarHBondContact OG1-CA 3.5Å; T214-K231 PolarHBondContact OG1-N 3.34Å |
| 215 | D | 73.5 | Confident | 69.7 | Low | 33 Ų | 33 | 90 Ų | 90 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -63 | 140.2 | 178.7 | -138 | -46.1 | 0 | 0 | 0 | 113.7 | R173 A213 D217 K218 | R173-D215 IonicContact CZ-OD2 3.6Å; R173-D215 IonicContact NH1-OD1 2.77Å; R173-D215 PolarHBondContact NH1-OD1 2.83Å; R173-D215 VanDerWaalsContact NH1-OD1 3.11Å; R173-D215 IonicContact NH1-OD2 2.75Å; R173-D215 PolarHBondContact NH1-OD2 3.34Å; R173-D215 IonicContact NH2-OD2 2.78Å; A213-D215 PolarHBondContact O-N 2.8Å; D215-D217 VanDerWaalsContact C-N 3.31Å; D215-K218 HydrophobicContact CB-CD 4.44Å; D215-K218 HydrophobicContact CB-CG 4.31Å |
| 216 | A | 68.4 | Low | 66.7 | Low | 9 Ų | 9 | 99.4 Ų | 99.4 | 7% | 0.074 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -62.5 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | M160 G172 F174 K218 R219 | M160-A216 HydrophobicContact CE-CB 3.56Å; M160-A216 HydrophobicContact SD-CB 4.04Å; G172-A216 PolarHBondContact O-N 2.9Å; F174-A216 HydrophobicContact CD2-CB 3.66Å; F174-A216 HydrophobicContact CE2-CB 3.6Å; A216-K218 PolarHBondContact O-N 3.29Å; A216-R219 PolarHBondContact O-N 3.13Å; A216-R219 VanDerWaalsContact O-N 3.1Å |
| 217 | D | 61.7 | Low | 63.6 | Low | 56 Ų | 56 | 104.3 Ų | 104.3 | 30% | 0.299 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -25.8 | -173.6 | -62.1 | -23.8 | 0 | 0 | 0 | 112.3 | D215 R219 | D215-D217 VanDerWaalsContact C-N 3.31Å; D217-R219 PolarHBondContact O-N 3.29Å |
| 218 | K | 56.6 | Low | 60.6 | Low | 146 Ų | 146 | 107 Ų | 107 | 64% | 0.635 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.9 | -15.2 | 176.5 | -67.9 | -175.9 | 179.1 | 179.3 | 0 | 113.7 | D215 A216 T222 | D215-K218 HydrophobicContact CB-CD 4.44Å; D215-K218 HydrophobicContact CB-CG 4.31Å; A216-K218 PolarHBondContact O-N 3.29Å; K218-T222 PolarHBondContact O-OG1 3.45Å |
| 219 | R | 53.4 | Low | 58.1 | Low | 160 Ų | 160 | 107.1 Ų | 107.1 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -78.3 | -29.2 | 179.6 | -75 | -173.5 | 179.2 | 168.9 | 3.1 | 113.3 | A216 D217 E221 T222 | A216-R219 PolarHBondContact O-N 3.13Å; A216-R219 VanDerWaalsContact O-N 3.1Å; D217-R219 PolarHBondContact O-N 3.29Å; R219-E221 PolarHBondContact O-N 3.48Å; R219-T222 PolarHBondContact O-N 3.22Å |
| 220 | Q | 47.4 | Very low | 56.1 | Low | 151 Ų | 151 | 106.4 Ų | 106.4 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.8 | -23.7 | -177 | -76.2 | -173.8 | -11.8 | 0 | 0 | 113.7 | ||
| 221 | E | 44.4 | Very low | 54.5 | Low | 185 Ų | 185 | 113.8 Ų | 113.8 | 86% | 0.864 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -8.8 | 176.5 | -68.7 | -173.5 | 157.9 | 0 | 0 | 113.9 | R219 | R219-E221 PolarHBondContact O-N 3.48Š|
| 222 | T | 43.4 | Very low | 53.4 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 43% | 0.429 | 62% | 0.615 | S | S | . | * | trans | -123.4 | 32.7 | -164.6 | -26.8 | 0 | 0 | 0 | 0 | 114.5 | K218 R219 Q224 Q225 | K218-T222 PolarHBondContact O-OG1 3.45Å; R219-T222 PolarHBondContact O-N 3.22Å; T222-Q224 PolarHBondContact O-N 3.3Å; T222-Q224 VanDerWaalsContact O-N 3.13Å; T222-Q225 HydrophobicContact CG2-CB 4.08Å; T222-Q225 PolarHBondContact O-N 3.21Å | ||
| 223 | E | 41.4 | Very low | 53.2 | Low | 185 Ų | 185 | 117 Ų | 117 | 86% | 0.864 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -2.7 | 175.5 | -72.7 | -162.1 | 151.8 | 0 | 0 | 114.4 | ||
| 224 | Q | 38.4 | Very low | 53.2 | Low | 193 Ų | 193 | 121.1 Ų | 121.1 | 90% | 0.902 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 2.9 | 177.1 | -73.4 | -173.7 | -3.8 | 0 | 0 | 116 | T222 | T222-Q224 PolarHBondContact O-N 3.3Å; T222-Q224 VanDerWaalsContact O-N 3.13Å |
| 225 | Q | 34 | Very low | 53.9 | Low | 154 Ų | 154 | 120.6 Ų | 120.6 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -128.3 | 103.3 | 177.8 | -70.9 | -176.4 | 3.5 | 0 | 0 | 113.7 | T222 | T222-Q225 HydrophobicContact CG2-CB 4.08Å; T222-Q225 PolarHBondContact O-N 3.21Å |
| 226 | K | 31.9 | Very low | 54.8 | Low | 200 Ų | 200 | 122.1 Ų | 122.1 | 87% | 0.87 | 62% | 0.618 | S | S | * | * | trans | 45.2 | 115.1 | 142.4 | -67.9 | -177.5 | 176.9 | 178.8 | 0 | 118 | G228 | K226-G228 PolarHBondContact O-N 3.22Š| ||
| 227 | L | 29.7 | Very low | 56.1 | Low | 187 Ų | 187 | 123.3 Ų | 123.3 | 98% | 0.979 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -29.4 | 121.6 | 155 | -67.5 | 85.7 | 0 | 0 | 0 | 112.9 | ||
| 228 | G | 31.4 | Very low | 57.7 | Low | 82 Ų | 82 | 124.5 Ų | 124.5 | 85% | 0.845 | 63% | 0.63 | S | S | * | * | trans | 137.9 | 1.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | K226 | K226-G228 PolarHBondContact O-N 3.22Š| ||
| 229 | S | 41.7 | Very low | 59.6 | Low | 125 Ų | 125 | 119.1 Ų | 119.1 | 87% | 0.874 | 61% | 0.608 | S | S | * | * | trans | -117.8 | 10.1 | -171.4 | 76.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 230 | G | 49 | Very low | 61.7 | Low | 40 Ų | 40 | 116 Ų | 116 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -94.9 | 124.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T214 R232 | T214-G230 WeakPolarHBondContact OG1-CA 3.5Å; G230-R232 PolarHBondContact O-N 2.64Å |
| 231 | K | 58.8 | Low | 64 | Low | 158 Ų | 158 | 109.5 Ų | 109.5 | 69% | 0.687 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -62 | 118.3 | 170.4 | -78.2 | -176.2 | 179.4 | 177.9 | 0 | 108.3 | T214 | T214-K231 PolarHBondContact OG1-N 3.34Š|
| 232 | R | 67 | Low | 66.4 | Low | 228 Ų | 228 | 102.7 Ų | 102.7 | 86% | 0.86 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.9 | 173.9 | -76.5 | -176.4 | 176.1 | -176.4 | -1.9 | 109.2 | G230 V234 | G230-R232 PolarHBondContact O-N 2.64Å; R232-V234 PolarHBondContact O-N 3.02Å |
| 233 | L | 83.1 | Confident | 68.8 | Low | 32 Ų | 32 | 99.4 Ų | 99.4 | 17% | 0.168 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 127.8 | 171.2 | -176.5 | 62.5 | 0 | 0 | 0 | 108.5 | Y205 V209 L210 A213 | Y205-L233 HydrophobicContact CD1-CD1 4.42Å; Y205-L233 HydrophobicContact CD1-CD2 4.1Å; Y205-L233 HydrophobicContact CD1-CG 4.15Å; Y205-L233 HydrophobicContact CE1-CD2 3.97Å; Y205-L233 HydrophobicContact CE1-CG 4.16Å; V209-L233 HydrophobicContact CG1-CD1 4.09Å; L210-L233 HydrophobicContact CD2-CD1 3.6Å; L210-L233 HydrophobicContact CD2-CD2 3.72Å; L210-L233 HydrophobicContact CD2-CG 4.32Å; L210-L233 HydrophobicContact CG-CD1 4.16Å; A213-L233 HydrophobicContact CB-CD1 4.1Å |
| 234 | V | 84.3 | Confident | 71.3 | Confident | 97 Ų | 97 | 93.8 Ų | 93.8 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | trans | -112.3 | 129.3 | -179.4 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | R232 | R232-V234 PolarHBondContact O-N 3.02Š| ||
| 235 | V | 91.4 | Very high | 74.1 | Confident | 41 Ų | 41 | 85.1 Ų | 85.1 | 25% | 0.248 | 47% | 0.468 | C | S | . | . | trans | -74.5 | 138.5 | 173.8 | -159.5 | 0 | 0 | 0 | 0 | 109 | E203 S204 Y205 W237 T238 | E203-V235 HydrophobicContact CB-CG1 3.99Å; S204-V235 WeakPolarHBondContact O-CG1 3.41Å; Y205-V235 HydrophobicContact CD1-CG1 4.39Å; Y205-V235 HydrophobicContact CE1-CB 4.12Å; Y205-V235 HydrophobicContact CE1-CG1 4.06Å; Y205-V235 HydrophobicContact CE1-CG2 3.64Å; Y205-V235 HydrophobicContact CE2-CG1 4.35Å; V235-W237 WeakPolarHBondContact CG1-O 3.44Å; V235-T238 HydrophobicContact CB-CG2 4.15Å; V235-T238 HydrophobicContact CG1-CG2 3.7Å; V235-T238 HydrophobicContact CG2-CG2 4.45Å | ||
| 236 | D | 93.7 | Very high | 77 | Confident | 66 Ų | 66 | 80.7 Ų | 80.7 | 35% | 0.353 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -69.6 | -50.5 | 177.3 | -170.9 | 40.4 | 0 | 0 | 0 | 111 | S204 K206 | S204-D236 VanDerWaalsContact O-CB 3.3Å; S204-D236 WeakPolarHBondContact O-CB 3.41Å; S204-D236 PolarHBondContact O-N 3.07Å; K206-D236 HydrophobicContact CD-CB 4.45Å; K206-D236 VanDerWaalsContact CE-CG 3.45Å; K206-D236 VanDerWaalsContact CE-OD1 3.3Å; K206-D236 WeakPolarHBondContact CE-OD1 3.37Å; K206-D236 VanDerWaalsContact CE-OD2 3.25Å; K206-D236 WeakPolarHBondContact CE-OD2 3.31Å; K206-D236 HydrophobicContact CG-CB 4.25Å; K206-D236 IonicContact NZ-OD1 3.74Å; K206-D236 PolarHBondContact NZ-OD1 2.82Å; K206-D236 IonicContact NZ-OD2 2.8Å; K206-D236 PolarHBondContact NZ-OD2 3.28Å |
| 237 | W | 95.6 | Very high | 80.1 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 13% | 0.129 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 158 | 172.1 | 56.5 | -102.6 | 0 | 0 | 0 | 110.7 | L194 V202 S204 V235 L239 L271 D273 G275 | L194-W237 HydrophobicContact CD2-CH2 3.5Å; L194-W237 HydrophobicContact CD2-CZ2 3.5Å; L194-W237 VanDerWaalsContact CD2-CZ2 3.5Å; V202-W237 HydrophobicContact CB-CZ3 4.27Å; V202-W237 HydrophobicContact CG1-CH2 3.97Å; V202-W237 HydrophobicContact CG1-CZ3 3.86Å; S204-W237 PolarHBondContact N-O 3.25Å; S204-W237 PolarHBondContact OG-NE1 2.74Å; V235-W237 WeakPolarHBondContact CG1-O 3.44Å; W237-L239 HydrophobicContact CZ3-CB 4.35Å; W237-L271 HydrophobicContact CH2-CD1 4.22Å; W237-L271 HydrophobicContact CZ3-CD1 4.49Å; W237-D273 PolarHBondContact NE1-O 3.5Å; W237-G275 VanDerWaalsContact CD2-CA 3.48Å; W237-G275 VanDerWaalsContact CE3-CA 3.43Å |
| 238 | T | 95.4 | Very high | 83.3 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.4 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | V202 E203 V235 | V202-T238 CarbonylContact O-C 3.53Å; V202-T238 VanDerWaalsContact O-CA 3.23Å; V202-T238 WeakPolarHBondContact O-CA 3.36Å; E203-T238 HydrophobicContact CG-CG2 4.08Å; V235-T238 HydrophobicContact CB-CG2 4.15Å; V235-T238 HydrophobicContact CG1-CG2 3.7Å; V235-T238 HydrophobicContact CG2-CG2 4.45Å |
| 239 | L | 96.9 | Very high | 86.4 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 121.4 | 172.5 | 175.7 | 72.5 | 0 | 0 | 0 | 110.5 | Q201 V202 W237 I241 L271 I277 | Q201-L239 CarbonylContact C-O 3.5Å; Q201-L239 WeakPolarHBondContact CA-O 3.19Å; V202-L239 HydrophobicContact CB-CB 4.37Å; V202-L239 PolarHBondContact N-O 2.94Å; V202-L239 PolarHBondContact O-N 3.16Å; W237-L239 HydrophobicContact CZ3-CB 4.35Å; L239-I241 HydrophobicContact CD2-CG2 3.91Å; L239-I241 HydrophobicContact CG-CG2 4.16Å; L239-I241 PolarHBondContact O-N 3.33Å; L239-L271 HydrophobicContact CD2-CD1 3.77Å; L239-L271 HydrophobicContact CD2-CD2 3.37Å; L239-L271 HydrophobicContact CD2-CG 4.2Å; L239-I277 HydrophobicContact CD1-CG1 4.33Å; L239-I277 HydrophobicContact CD2-CD1 4.34Å; L239-I277 HydrophobicContact CD2-CG1 3.71Å |
| 240 | N | 96.4 | Very high | 88.8 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.1 | 171.6 | -167.3 | -19.5 | 0 | 0 | 0 | 110.2 | Q200 Q201 G242 | Q200-N240 WeakPolarHBondContact O-CA 3.22Å; Q200-N240 PolarHBondContact O-OD1 3.08Å; Q201-N240 PolarHBondContact NE2-ND2 2.88Å; Q201-N240 VanDerWaalsContact NE2-ND2 3.17Å; Q201-N240 VanDerWaalsContact OE1-CA 3.31Å; N240-G242 PolarHBondContact OD1-N 2.68Å |
| 241 | I | 96 | Very high | 90.6 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | trans | -97.2 | -9.2 | 178.7 | 56.4 | 163.1 | 0 | 0 | 0 | 113.2 | V196 Q200 V202 L239 E243 V262 F269 | V196-I241 HydrophobicContact CG1-CD1 4.02Å; Q200-I241 WeakPolarHBondContact O-CG1 3.43Å; Q200-I241 PolarHBondContact O-N 2.79Å; V202-I241 HydrophobicContact CG2-CD1 4.09Å; V202-I241 HydrophobicContact CG2-CG1 4.24Å; V202-I241 HydrophobicContact CG2-CG2 3.61Å; L239-I241 HydrophobicContact CD2-CG2 3.91Å; L239-I241 HydrophobicContact CG-CG2 4.16Å; L239-I241 PolarHBondContact O-N 3.33Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 HydrophobicContact CD1-CG 4.37Å; I241-E243 WeakPolarHBondContact CD1-O 3.42Å; I241-E243 WeakPolarHBondContact CG1-O 3.36Å; I241-V262 HydrophobicContact CD1-CG1 4.19Å; I241-F269 HydrophobicContact CB-CD2 4.45Å; I241-F269 HydrophobicContact CB-CE1 4.26Å; I241-F269 HydrophobicContact CB-CE2 3.88Å; I241-F269 HydrophobicContact CB-CZ 3.79Å; I241-F269 HydrophobicContact CD1-CE2 4.3Å; I241-F269 HydrophobicContact CG2-CD1 4.36Å; I241-F269 HydrophobicContact CG2-CD2 4.37Å; I241-F269 HydrophobicContact CG2-CE1 4.26Å; I241-F269 HydrophobicContact CG2-CE2 4.26Å; I241-F269 HydrophobicContact CG2-CG 4.41Å; I241-F269 HydrophobicContact CG2-CZ 4.22Å; I241-F269 WeakPolarHBondContact O-CZ 3.49Å | ||
| 242 | G | 94.1 | Very high | 91.6 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 78.3 | 10.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q200 N240 | Q200-G242 PolarHBondContact OE1-O 3.27Å; N240-G242 PolarHBondContact OD1-N 2.68Å |
| 243 | E | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -160.7 | 171.3 | 174.6 | 61.6 | -170 | 169.6 | 0 | 0 | 111.9 | Q200 I241 G264 R266 N267 | Q200-E243 WeakPolarHBondContact CA-O 3.3Å; Q200-E243 VanDerWaalsContact CB-O 3.29Å; Q200-E243 WeakPolarHBondContact CB-O 3.46Å; I241-E243 VanDerWaalsContact C-N 3.33Å; I241-E243 HydrophobicContact CD1-CG 4.37Å; I241-E243 WeakPolarHBondContact CD1-O 3.42Å; I241-E243 WeakPolarHBondContact CG1-O 3.36Å; E243-G264 WeakPolarHBondContact OE1-CA 3.5Å; E243-R266 WeakPolarHBondContact OE2-CA 3.46Å; E243-R266 VanDerWaalsContact OE2-CB 3.24Å; E243-R266 WeakPolarHBondContact OE2-CB 3.4Å; E243-R266 IonicContact OE2-CZ 3.41Å; E243-R266 PolarHBondContact OE2-N 3.46Å; E243-R266 IonicContact OE2-NE 3.47Å; E243-R266 IonicContact OE2-NH2 3.71Å; E243-N267 WeakPolarHBondContact OE1-CA 3.44Å; E243-N267 WeakPolarHBondContact OE1-CB 3.49Å; E243-N267 PolarHBondContact OE1-N 2.88Å; E243-N267 PolarHBondContact OE1-ND2 3.35Å; E243-N267 PolarHBondContact OE2-ND2 3.1Å |
| 244 | Q | 94.3 | Very high | 91.2 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | trans | -78.4 | 159.1 | 167.7 | -69.7 | -171.8 | 3.9 | 0 | 0 | 110.5 | G264 E265 | Q244-G264 WeakPolarHBondContact O-CA 3.45Å; Q244-E265 PolarHBondContact O-N 2.93Å | ||
| 245 | A | 96.6 | Very high | 90.1 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 138.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P183 V196 V262 L263 | P183-A245 VanDerWaalsContact CD-O 3.25Å; P183-A245 WeakPolarHBondContact CD-O 3.49Å; P183-A245 HydrophobicContact CG-CB 3.77Å; V196-A245 HydrophobicContact CB-CB 3.82Å; V196-A245 HydrophobicContact CG1-CB 3.93Å; V196-A245 HydrophobicContact CG2-CB 3.54Å; A245-V262 HydrophobicContact CB-CG1 3.49Å; A245-V262 VanDerWaalsContact CB-CG1 3.49Å; A245-L263 CarbonylContact C-O 3.56Å; A245-L263 VanDerWaalsContact CA-O 3.3Å; A245-L263 WeakPolarHBondContact CA-O 3.41Å |
| 246 | L | 95.7 | Very high | 88.9 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -46.1 | 170.6 | -61.6 | 176.2 | 0 | 0 | 0 | 110 | Q22 L263 E265 P287 | Q22-L246 PolarHBondContact OE1-O 2.92Å; L246-L263 HydrophobicContact CB-CD2 4.36Å; L246-L263 HydrophobicContact CD1-CD2 4.29Å; L246-L263 PolarHBondContact N-O 3.37Å; L246-E265 HydrophobicContact CD2-CG 4.43Å; L246-P287 HydrophobicContact CD1-CG 4.13Å; L246-P287 VanDerWaalsContact CD1-O 3.24Å; L246-P287 WeakPolarHBondContact CD1-O 3.24Å |
| 247 | D | 96.6 | Very high | 88.2 | Confident | 35 Ų | 35 | 51 Ų | 51 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.5 | -174 | -170.1 | 14.5 | 0 | 0 | 0 | 111.5 | L263 F290 | D247-L263 PolarHBondContact O-N 3.28Å; D247-F290 HydrophobicContact CB-CD1 3.88Å; D247-F290 HydrophobicContact CB-CE1 3.6Å; D247-F290 WeakPolarHBondContact OD2-CE1 3.06Å |
| 248 | I | 96.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 124.9 | 178.1 | -171.2 | 170.3 | 0 | 0 | 0 | 109.9 | P183 A185 L194 V260 F261 V262 | P183-I248 HydrophobicContact CB-CB 4.2Å; P183-I248 HydrophobicContact CB-CG2 3.62Å; P183-I248 HydrophobicContact CG-CB 4.16Å; P183-I248 HydrophobicContact CG-CG2 3.98Å; A185-I248 HydrophobicContact CB-CG1 4.36Å; A185-I248 HydrophobicContact CB-CG2 3.71Å; L194-I248 HydrophobicContact CB-CD1 3.74Å; I248-V260 HydrophobicContact CD1-CG1 3.84Å; I248-V260 HydrophobicContact CG1-CG1 3.97Å; I248-F261 WeakPolarHBondContact CA-O 3.35Å; I248-F261 WeakPolarHBondContact CG1-O 3.43Å; I248-V262 HydrophobicContact CD1-CG2 4.11Å; I248-V262 HydrophobicContact CG1-CG2 4.1Å |
| 249 | C | 95.2 | Very high | 87.5 | Confident | 32 Ų | 32 | 45.6 Ų | 45.6 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.6 | -177.4 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | F261 F290 P292 | C249-F261 PolarHBondContact N-O 2.88Å; C249-F261 PolarHBondContact O-N 3.09Å; C249-F290 HydrophobicContact CB-CE1 4.27Å; C249-F290 HydrophobicContact CB-CE2 4.08Å; C249-F290 HydrophobicContact CB-CZ 3.59Å; C249-P292 HydrophobicContact CB-CG 3.83Å; C249-P292 WeakPolarHBondContact SG-CG 3.23Å |
| 250 | I | 93.4 | Very high | 87.4 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.4 | -179.7 | -58.3 | 164.5 | 0 | 0 | 0 | 107.5 | A185 Y186 L194 V260 | A185-I250 HydrophobicContact CB-CD1 3.46Å; A185-I250 VanDerWaalsContact CB-CD1 3.46Å; A185-I250 HydrophobicContact CB-CG1 3.87Å; Y186-I250 WeakPolarHBondContact O-CD1 3.33Å; L194-I250 HydrophobicContact CD1-CD1 3.56Å; I250-V260 HydrophobicContact CG1-CG1 4.25Å; I250-V260 HydrophobicContact CG1-CG2 4.27Å |
| 251 | V | 86.5 | Confident | 87.4 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 137.2 | 179.8 | -69 | 0 | 0 | 0 | 0 | 111.4 | F253 S258 S259 F261 P292 I301 | V251-F253 HydrophobicContact CB-CD2 4.16Å; V251-F253 HydrophobicContact CB-CE1 4.5Å; V251-F253 HydrophobicContact CB-CE2 3.64Å; V251-F253 HydrophobicContact CB-CZ 3.83Å; V251-F253 HydrophobicContact CG1-CE1 4.46Å; V251-F253 HydrophobicContact CG1-CE2 3.88Å; V251-F253 HydrophobicContact CG1-CZ 3.67Å; V251-F253 HydrophobicContact CG2-CD2 4.39Å; V251-F253 HydrophobicContact CG2-CE2 3.93Å; V251-S258 WeakPolarHBondContact O-CA 3.29Å; V251-S259 PolarHBondContact N-O 3Å; V251-S259 PolarHBondContact O-N 3.18Å; V251-F261 HydrophobicContact CG2-CD2 3.74Å; V251-F261 HydrophobicContact CG2-CE2 3.46Å; V251-F261 VanDerWaalsContact CG2-CE2 3.46Å; V251-P292 HydrophobicContact CG1-CB 3.89Å; V251-P292 HydrophobicContact CG1-CG 3.49Å; V251-P292 VanDerWaalsContact CG1-CG 3.49Å; V251-P292 HydrophobicContact CG2-CB 4.28Å; V251-P292 HydrophobicContact CG2-CG 4.45Å; V251-I301 HydrophobicContact CG2-CD1 3.84Å; V251-I301 HydrophobicContact CG2-CG2 4.43Å |
| 252 | S | 80.2 | Confident | 87.5 | Confident | 74 Ų | 74 | 39 Ų | 39 | 52% | 0.517 | 23% | 0.227 | S | C | . | . | trans | -133.2 | 75.9 | 174.6 | 59.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 253 | F | 77.7 | Confident | 87.7 | Confident | 53 Ų | 53 | 37 Ų | 37 | 23% | 0.232 | 21% | 0.206 | C | C | . | . | trans | -79.1 | 145 | 173.2 | -54.7 | -56.3 | 0 | 0 | 0 | 110.1 | V251 Q255 S256 C294 I301 | V251-F253 HydrophobicContact CB-CD2 4.16Å; V251-F253 HydrophobicContact CB-CE1 4.5Å; V251-F253 HydrophobicContact CB-CE2 3.64Å; V251-F253 HydrophobicContact CB-CZ 3.83Å; V251-F253 HydrophobicContact CG1-CE1 4.46Å; V251-F253 HydrophobicContact CG1-CE2 3.88Å; V251-F253 HydrophobicContact CG1-CZ 3.67Å; V251-F253 HydrophobicContact CG2-CD2 4.39Å; V251-F253 HydrophobicContact CG2-CE2 3.93Å; F253-Q255 PolarHBondContact O-N 3.45Å; F253-S256 PolarHBondContact O-N 3.04Å; F253-S256 VanDerWaalsContact O-O 3.12Å; F253-C294 WeakPolarHBondContact CD1-SG 3.38Å; F253-C294 WeakPolarHBondContact CE1-SG 3.28Å; F253-I301 HydrophobicContact CE2-CG2 4.13Å | ||
| 254 | N | 63.4 | Low | 87.8 | Confident | 179 Ų | 179 | 37 Ų | 37 | 96% | 0.957 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -22.8 | -176.3 | -73.2 | -17 | 0 | 0 | 0 | 114.3 | ||
| 255 | Q | 61.6 | Low | 87.8 | Confident | 138 Ų | 138 | 37.3 Ų | 37.3 | 65% | 0.645 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.6 | -176 | -64.8 | -179.6 | -7 | 0 | 0 | 114.3 | F253 | F253-Q255 PolarHBondContact O-N 3.45Š|
| 256 | S | 66.5 | Low | 87.8 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -136.2 | 149.5 | -172.8 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | F253 S258 | F253-S256 PolarHBondContact O-N 3.04Å; F253-S256 VanDerWaalsContact O-O 3.12Å; S256-S258 PolarHBondContact O-N 2.9Å |
| 257 | A | 77.6 | Confident | 87.8 | Confident | 47 Ų | 47 | 40 Ų | 40 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | trans | -62.3 | 138.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | S259 | A257-S259 PolarHBondContact O-N 3.28Å; A257-S259 PolarHBondContact O-OG 2.9Å | ||
| 258 | S | 85.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | trans | -52.9 | 139.2 | 172.4 | -166.7 | 0 | 0 | 0 | 0 | 109.9 | V251 S256 R278 | V251-S258 WeakPolarHBondContact O-CA 3.29Å; S256-S258 PolarHBondContact O-N 2.9Å; S258-R278 PolarHBondContact O-NH2 3.07Å | ||
| 259 | S | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 137.1 | -173.8 | -49.8 | 0 | 0 | 0 | 0 | 108.7 | V251 A257 R278 | V251-S259 PolarHBondContact N-O 3Å; V251-S259 PolarHBondContact O-N 3.18Å; A257-S259 PolarHBondContact O-N 3.28Å; A257-S259 PolarHBondContact O-OG 2.9Å; S259-R278 PolarHBondContact OG-NH1 3.36Å; S259-R278 PolarHBondContact OG-NH2 2.86Å |
| 260 | V | 95 | Very high | 87.9 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 116.3 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 107 | L194 I248 I250 V262 C270 L271 | L194-V260 HydrophobicContact CD2-CB 4.36Å; L194-V260 HydrophobicContact CD2-CG1 3.82Å; L194-V260 HydrophobicContact CD2-CG2 3.74Å; I248-V260 HydrophobicContact CD1-CG1 3.84Å; I248-V260 HydrophobicContact CG1-CG1 3.97Å; I250-V260 HydrophobicContact CG1-CG1 4.25Å; I250-V260 HydrophobicContact CG1-CG2 4.27Å; V260-V262 HydrophobicContact CG1-CG2 4.2Å; V260-C270 CarbonylContact O-C 3.56Å; V260-C270 WeakPolarHBondContact O-CA 3.4Å; V260-L271 HydrophobicContact CB-CB 4.18Å; V260-L271 PolarHBondContact N-O 2.97Å; V260-L271 VanDerWaalsContact N-O 3.08Å; V260-L271 PolarHBondContact O-N 2.91Å |
| 261 | F | 96.3 | Very high | 88 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.7 | 173.9 | -69.5 | -92.4 | 0 | 0 | 0 | 110.4 | I248 C249 V251 F268 F269 C270 F279 F290 P292 I301 | I248-F261 WeakPolarHBondContact CA-O 3.35Å; I248-F261 WeakPolarHBondContact CG1-O 3.43Å; C249-F261 PolarHBondContact N-O 2.88Å; C249-F261 PolarHBondContact O-N 3.09Å; V251-F261 HydrophobicContact CG2-CD2 3.74Å; V251-F261 HydrophobicContact CG2-CE2 3.46Å; V251-F261 VanDerWaalsContact CG2-CE2 3.46Å; F261-F268 HydrophobicContact CB-CE2 4.31Å; F261-F268 HydrophobicContact CD1-CE1 4.28Å; F261-F268 AromaticContact CD1-CE2 3.67Å; F261-F268 HydrophobicContact CD1-CE2 3.67Å; F261-F268 AromaticContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CE1-CE1 4.39Å; F261-F268 HydrophobicContact CE1-CE2 4.49Å; F261-F268 AromaticContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CG-CE2 4.44Å; F261-F268 HydrophobicContact CG-CZ 4.41Å; F261-F269 CarbonylContact C-O 3.6Å; F261-F269 VanDerWaalsContact CA-O 3.31Å; F261-F269 WeakPolarHBondContact CA-O 3.49Å; F261-C270 HydrophobicContact CD1-CB 3.88Å; F261-C270 HydrophobicContact CE1-CB 3.68Å; F261-C270 HydrophobicContact CZ-CB 4.29Å; F261-F279 HydrophobicContact CE1-CE2 4.16Å; F261-F279 AromaticContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CZ-CZ 4.3Å; F261-F290 HydrophobicContact CB-CE2 3.53Å; F261-F290 HydrophobicContact CB-CZ 3.97Å; F261-F290 HydrophobicContact CG-CE2 4.48Å; F261-P292 HydrophobicContact CD2-CB 4.17Å; F261-P292 HydrophobicContact CD2-CG 4.28Å; F261-P292 HydrophobicContact CE2-CB 4.33Å; F261-I301 HydrophobicContact CE2-CB 4.36Å; F261-I301 HydrophobicContact CE2-CD1 3.62Å; F261-I301 HydrophobicContact CE2-CG2 3.96Å; F261-I301 HydrophobicContact CZ-CB 3.84Å; F261-I301 HydrophobicContact CZ-CD1 3.74Å; F261-I301 HydrophobicContact CZ-CG1 4.35Å; F261-I301 HydrophobicContact CZ-CG2 3.72Å |
| 262 | V | 97.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.2 | 179.4 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | V196 V202 I241 A245 I248 V260 F269 L271 | V196-V262 HydrophobicContact CG2-CG1 4.13Å; V202-V262 HydrophobicContact CG2-CG2 4.24Å; I241-V262 HydrophobicContact CD1-CG1 4.19Å; A245-V262 HydrophobicContact CB-CG1 3.49Å; A245-V262 VanDerWaalsContact CB-CG1 3.49Å; I248-V262 HydrophobicContact CD1-CG2 4.11Å; I248-V262 HydrophobicContact CG1-CG2 4.1Å; V260-V262 HydrophobicContact CG1-CG2 4.2Å; V262-F269 HydrophobicContact CB-CB 4.22Å; V262-F269 HydrophobicContact CB-CD2 4.5Å; V262-F269 PolarHBondContact N-O 3.38Å; V262-F269 PolarHBondContact O-N 3.36Å; V262-L271 HydrophobicContact CG2-CD1 4.06Å; V262-L271 HydrophobicContact CG2-CG 4.45Å |
| 263 | L | 97.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 102.6 | 171.8 | -173.4 | 71.9 | 0 | 0 | 0 | 108.5 | A245 L246 D247 F268 L283 P287 F290 I305 | A245-L263 CarbonylContact C-O 3.56Å; A245-L263 VanDerWaalsContact CA-O 3.3Å; A245-L263 WeakPolarHBondContact CA-O 3.41Å; L246-L263 HydrophobicContact CB-CD2 4.36Å; L246-L263 HydrophobicContact CD1-CD2 4.29Å; L246-L263 PolarHBondContact N-O 3.37Å; D247-L263 PolarHBondContact O-N 3.28Å; L263-F268 HydrophobicContact CD1-CD2 4.35Å; L263-L283 HydrophobicContact CD1-CD1 4.33Å; L263-P287 HydrophobicContact CD1-CB 3.67Å; L263-P287 HydrophobicContact CD1-CG 3.93Å; L263-P287 HydrophobicContact CD2-CB 4.01Å; L263-P287 HydrophobicContact CD2-CG 4.43Å; L263-P287 HydrophobicContact CG-CB 4.03Å; L263-P287 HydrophobicContact CG-CG 4.07Å; L263-F290 HydrophobicContact CB-CD1 3.44Å; L263-F290 VanDerWaalsContact CB-CD1 3.44Å; L263-F290 HydrophobicContact CB-CE1 3.63Å; L263-F290 HydrophobicContact CB-CG 3.93Å; L263-F290 HydrophobicContact CB-CZ 4.29Å; L263-F290 HydrophobicContact CD1-CB 4.22Å; L263-F290 HydrophobicContact CD1-CG 4.35Å; L263-F290 HydrophobicContact CD2-CB 3.9Å; L263-F290 HydrophobicContact CD2-CD1 3.67Å; L263-F290 HydrophobicContact CD2-CG 4.04Å; L263-F290 HydrophobicContact CG-CB 4.47Å; L263-F290 HydrophobicContact CG-CD1 4.1Å; L263-F290 HydrophobicContact CG-CG 4.35Å; L263-I305 HydrophobicContact CD1-CG2 3.89Å |
| 264 | G | 97.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 169.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | E243 Q244 R266 N267 P287 | E243-G264 WeakPolarHBondContact OE1-CA 3.5Å; Q244-G264 WeakPolarHBondContact O-CA 3.45Å; G264-R266 PolarHBondContact O-N 2.89Å; G264-N267 VanDerWaalsContact CA-O 3.26Å; G264-N267 WeakPolarHBondContact CA-O 3.37Å; G264-N267 PolarHBondContact N-O 3.14Å; G264-P287 WeakPolarHBondContact O-CG 3.33Å |
| 265 | E | 95.4 | Very high | 90.8 | Very high | 74 Ų | 74 | 30.5 Ų | 30.5 | 35% | 0.346 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -62 | -24.9 | 172.2 | -63.3 | 174.8 | 166.3 | 0 | 0 | 113.3 | Q244 L246 P287 | Q244-E265 PolarHBondContact O-N 2.93Å; L246-E265 HydrophobicContact CD2-CG 4.43Å; E265-P287 WeakPolarHBondContact O-CD 3.49Å |
| 266 | R | 95.5 | Very high | 92.3 | Very high | 107 Ų | 107 | 29.2 Ų | 29.2 | 40% | 0.404 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -136 | -13.1 | -178 | -59.1 | 171.8 | -73.4 | -77.3 | -1.7 | 114.2 | E243 G264 L283 | E243-R266 WeakPolarHBondContact OE2-CA 3.46Å; E243-R266 VanDerWaalsContact OE2-CB 3.24Å; E243-R266 WeakPolarHBondContact OE2-CB 3.4Å; E243-R266 IonicContact OE2-CZ 3.41Å; E243-R266 PolarHBondContact OE2-N 3.46Å; E243-R266 IonicContact OE2-NE 3.47Å; E243-R266 IonicContact OE2-NH2 3.71Å; G264-R266 PolarHBondContact O-N 2.89Å; R266-L283 WeakPolarHBondContact O-CB 3.17Å; R266-L283 PolarHBondContact O-N 2.87Å |
| 267 | N | 97 | Very high | 93.7 | Very high | 21 Ų | 21 | 31.2 Ų | 31.2 | 11% | 0.112 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 154.8 | 179.5 | -45.8 | -77.7 | 0 | 0 | 0 | 111.7 | E243 G264 F269 K281 K282 | E243-N267 WeakPolarHBondContact OE1-CA 3.44Å; E243-N267 WeakPolarHBondContact OE1-CB 3.49Å; E243-N267 PolarHBondContact OE1-N 2.88Å; E243-N267 PolarHBondContact OE1-ND2 3.35Å; E243-N267 PolarHBondContact OE2-ND2 3.1Å; G264-N267 VanDerWaalsContact CA-O 3.26Å; G264-N267 WeakPolarHBondContact CA-O 3.37Å; G264-N267 PolarHBondContact N-O 3.14Å; N267-F269 HydrophobicContact CB-CD2 4.32Å; N267-F269 HydrophobicContact CB-CE1 4.45Å; N267-F269 HydrophobicContact CB-CE2 3.56Å; N267-F269 HydrophobicContact CB-CZ 3.62Å; N267-K281 WeakPolarHBondContact CA-O 3.49Å; N267-K282 WeakPolarHBondContact OD1-CA 3.11Å; N267-K282 WeakPolarHBondContact OD1-CB 3.29Å; N267-K282 WeakPolarHBondContact OD1-CG 3.29Å |
| 268 | F | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.3 | 174.1 | 171.9 | -119.5 | 0 | 0 | 0 | 109.1 | F261 L263 F279 M280 K281 L283 F290 T303 I305 | F261-F268 HydrophobicContact CB-CE2 4.31Å; F261-F268 HydrophobicContact CD1-CE1 4.28Å; F261-F268 AromaticContact CD1-CE2 3.67Å; F261-F268 HydrophobicContact CD1-CE2 3.67Å; F261-F268 AromaticContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CD1-CZ 3.32Å; F261-F268 HydrophobicContact CE1-CE1 4.39Å; F261-F268 HydrophobicContact CE1-CE2 4.49Å; F261-F268 AromaticContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CE1-CZ 3.71Å; F261-F268 HydrophobicContact CG-CE2 4.44Å; F261-F268 HydrophobicContact CG-CZ 4.41Å; L263-F268 HydrophobicContact CD1-CD2 4.35Å; F268-F279 HydrophobicContact CE1-CE2 4.18Å; F268-M280 CarbonylContact O-C 3.56Å; F268-M280 VanDerWaalsContact O-CA 3.27Å; F268-M280 WeakPolarHBondContact O-CA 3.12Å; F268-K281 HydrophobicContact CD1-CB 4.5Å; F268-K281 PolarHBondContact N-O 3.33Å; F268-K281 PolarHBondContact O-N 3.24Å; F268-L283 HydrophobicContact CB-CD1 4.26Å; F268-L283 HydrophobicContact CB-CD2 4.28Å; F268-L283 HydrophobicContact CB-CG 4.37Å; F268-F290 HydrophobicContact CD2-CD2 4.5Å; F268-F290 AromaticContact CE2-CD2 3.85Å; F268-F290 HydrophobicContact CE2-CD2 3.85Å; F268-F290 AromaticContact CE2-CE2 3.99Å; F268-F290 HydrophobicContact CE2-CE2 3.99Å; F268-T303 HydrophobicContact CE2-CG2 3.96Å; F268-T303 HydrophobicContact CZ-CG2 3.68Å; F268-I305 HydrophobicContact CB-CD1 4.25Å; F268-I305 HydrophobicContact CD1-CD1 4.11Å; F268-I305 HydrophobicContact CD2-CD1 4.04Å; F268-I305 HydrophobicContact CE1-CD1 4.43Å; F268-I305 HydrophobicContact CE2-CD1 4.38Å; F268-I305 HydrophobicContact CG-CD1 3.88Å |
| 269 | F | 97.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.8 | -177 | -56.8 | -92.6 | 0 | 0 | 0 | 111.3 | I241 F261 V262 N267 L271 I277 M280 | I241-F269 HydrophobicContact CB-CD2 4.45Å; I241-F269 HydrophobicContact CB-CE1 4.26Å; I241-F269 HydrophobicContact CB-CE2 3.88Å; I241-F269 HydrophobicContact CB-CZ 3.79Å; I241-F269 HydrophobicContact CD1-CE2 4.3Å; I241-F269 HydrophobicContact CG2-CD1 4.36Å; I241-F269 HydrophobicContact CG2-CD2 4.37Å; I241-F269 HydrophobicContact CG2-CE1 4.26Å; I241-F269 HydrophobicContact CG2-CE2 4.26Å; I241-F269 HydrophobicContact CG2-CG 4.41Å; I241-F269 HydrophobicContact CG2-CZ 4.22Å; I241-F269 WeakPolarHBondContact O-CZ 3.49Å; F261-F269 CarbonylContact C-O 3.6Å; F261-F269 VanDerWaalsContact CA-O 3.31Å; F261-F269 WeakPolarHBondContact CA-O 3.49Å; V262-F269 HydrophobicContact CB-CB 4.22Å; V262-F269 HydrophobicContact CB-CD2 4.5Å; V262-F269 PolarHBondContact N-O 3.38Å; V262-F269 PolarHBondContact O-N 3.36Å; N267-F269 HydrophobicContact CB-CD2 4.32Å; N267-F269 HydrophobicContact CB-CE1 4.45Å; N267-F269 HydrophobicContact CB-CE2 3.56Å; N267-F269 HydrophobicContact CB-CZ 3.62Å; F269-L271 HydrophobicContact CB-CD2 4.06Å; F269-I277 HydrophobicContact CD1-CD1 4.22Å; F269-I277 HydrophobicContact CE1-CD1 4.37Å; F269-M280 HydrophobicContact CD1-CB 3.66Å; F269-M280 HydrophobicContact CD1-CE 4.35Å; F269-M280 HydrophobicContact CD1-SD 4.43Å; F269-M280 HydrophobicContact CE1-CB 4.06Å; F269-M280 HydrophobicContact CE1-CE 3.57Å; F269-M280 HydrophobicContact CE1-SD 3.99Å; F269-M280 HydrophobicContact CG-CB 4.46Å; F269-M280 HydrophobicContact CZ-CE 4.12Å |
| 270 | C | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.2 | 163.7 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | V260 F261 R278 F279 | V260-C270 CarbonylContact O-C 3.56Å; V260-C270 WeakPolarHBondContact O-CA 3.4Å; F261-C270 HydrophobicContact CD1-CB 3.88Å; F261-C270 HydrophobicContact CE1-CB 3.68Å; F261-C270 HydrophobicContact CZ-CB 4.29Å; C270-R278 WeakPolarHBondContact O-CA 3.41Å; C270-R278 WeakPolarHBondContact O-CB 3.48Å; C270-R278 PolarHBondContact O-N 2.68Å; C270-F279 HydrophobicContact CB-CD1 3.98Å; C270-F279 HydrophobicContact CB-CD2 3.55Å; C270-F279 HydrophobicContact CB-CE1 3.66Å; C270-F279 HydrophobicContact CB-CE2 3.21Å; C270-F279 HydrophobicContact CB-CG 3.93Å; C270-F279 HydrophobicContact CB-CZ 3.27Å; C270-F279 PolarHBondContact N-O 3.48Å; C270-F279 PolarHBondContact O-N 3.25Å |
| 271 | L | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 149.3 | -177.3 | -41.9 | -180 | 0 | 0 | 0 | 110.4 | V202 W237 L239 V260 V262 F269 Q276 I277 | V202-L271 HydrophobicContact CB-CD1 4.32Å; V202-L271 HydrophobicContact CG1-CD1 3.97Å; V202-L271 HydrophobicContact CG2-CD1 4.24Å; W237-L271 HydrophobicContact CH2-CD1 4.22Å; W237-L271 HydrophobicContact CZ3-CD1 4.49Å; L239-L271 HydrophobicContact CD2-CD1 3.77Å; L239-L271 HydrophobicContact CD2-CD2 3.37Å; L239-L271 HydrophobicContact CD2-CG 4.2Å; V260-L271 HydrophobicContact CB-CB 4.18Å; V260-L271 PolarHBondContact N-O 2.97Å; V260-L271 VanDerWaalsContact N-O 3.08Å; V260-L271 PolarHBondContact O-N 2.91Å; V262-L271 HydrophobicContact CG2-CD1 4.06Å; V262-L271 HydrophobicContact CG2-CG 4.45Å; F269-L271 HydrophobicContact CB-CD2 4.06Å; L271-Q276 WeakPolarHBondContact CA-O 3.48Å; L271-I277 HydrophobicContact CD2-CB 4.33Å; L271-I277 HydrophobicContact CD2-CG1 3.79Å |
| 272 | K | 93.4 | Very high | 95.2 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | trans | -78.2 | 162.4 | 168 | -61.6 | 178.5 | -173.9 | 173.5 | 0 | 109.7 | N274 G275 Q276 R278 | K272-N274 VanDerWaalsContact CB-OD1 3.25Å; K272-N274 WeakPolarHBondContact CB-OD1 3.33Å; K272-N274 PolarHBondContact O-N 2.93Å; K272-G275 PolarHBondContact O-N 3.16Å; K272-Q276 PolarHBondContact N-O 3.12Å; K272-R278 HydrophobicContact CG-CB 3.94Å; K272-R278 HydrophobicContact CG-CG 4.46Å | ||
| 273 | D | 90.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 22% | 0.219 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.5 | 176.8 | -61.6 | -28.7 | 0 | 0 | 0 | 113.9 | R189 T190 W237 | R189-D273 WeakPolarHBondContact CD-OD2 2.84Å; R189-D273 IonicContact CZ-OD2 3.7Å; R189-D273 IonicContact NE-OD2 3.07Å; R189-D273 IonicContact NH1-OD2 2.83Å; R189-D273 PolarHBondContact NH1-OD2 3.31Å; T190-D273 HydrophobicContact CG2-CB 3.85Å; W237-D273 PolarHBondContact NE1-O 3.5Å |
| 274 | N | 91.5 | Very high | 95 | Very high | 90 Ų | 90 | 54.2 Ų | 54.2 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.4 | 178.2 | 72.7 | -11.2 | 0 | 0 | 0 | 114.4 | K272 Q276 | K272-N274 VanDerWaalsContact CB-OD1 3.25Å; K272-N274 WeakPolarHBondContact CB-OD1 3.33Å; K272-N274 PolarHBondContact O-N 2.93Å; N274-Q276 VanDerWaalsContact C-N 3.33Å; N274-Q276 PolarHBondContact ND2-OE1 2.9Å; N274-Q276 PolarHBondContact O-N 3.45Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.45Å; N274-Q276 PolarHBondContact OD1-N 3.12Å |
| 275 | G | 91.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 83.4 | -3.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | W237 K272 | W237-G275 VanDerWaalsContact CD2-CA 3.48Å; W237-G275 VanDerWaalsContact CE3-CA 3.43Å; K272-G275 PolarHBondContact O-N 3.16Å |
| 276 | Q | 94.3 | Very high | 94.9 | Very high | 112 Ų | 112 | 56.2 Ų | 56.2 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | trans | -81.2 | 144 | 175.7 | -65.3 | 179.2 | -21.6 | 0 | 0 | 111.4 | L271 K272 N274 R278 | L271-Q276 WeakPolarHBondContact CA-O 3.48Å; K272-Q276 PolarHBondContact N-O 3.12Å; N274-Q276 VanDerWaalsContact C-N 3.33Å; N274-Q276 PolarHBondContact ND2-OE1 2.9Å; N274-Q276 PolarHBondContact O-N 3.45Å; N274-Q276 WeakPolarHBondContact OD1-CB 3.45Å; N274-Q276 PolarHBondContact OD1-N 3.12Å; Q276-R278 PolarHBondContact O-N 2.94Å | ||
| 277 | I | 95.7 | Very high | 94.9 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 32% | 0.323 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 123 | 173.5 | -59.7 | 173.9 | 0 | 0 | 0 | 109.3 | L239 F269 L271 F279 M280 | L239-I277 HydrophobicContact CD1-CG1 4.33Å; L239-I277 HydrophobicContact CD2-CD1 4.34Å; L239-I277 HydrophobicContact CD2-CG1 3.71Å; F269-I277 HydrophobicContact CD1-CD1 4.22Å; F269-I277 HydrophobicContact CE1-CD1 4.37Å; L271-I277 HydrophobicContact CD2-CB 4.33Å; L271-I277 HydrophobicContact CD2-CG1 3.79Å; I277-F279 VanDerWaalsContact CG2-C 3.48Å; I277-F279 WeakPolarHBondContact CG2-O 3.38Å; I277-M280 HydrophobicContact CD1-SD 4.27Å; I277-M280 HydrophobicContact CG2-CB 4.07Å; I277-M280 HydrophobicContact CG2-CG 4.35Å |
| 278 | R | 93.2 | Very high | 94.9 | Very high | 85 Ų | 85 | 51 Ų | 51 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -49.8 | 168.7 | -173.5 | 178.6 | -67 | 177.6 | 10.7 | 110.1 | S258 S259 C270 K272 Q276 | S258-R278 PolarHBondContact O-NH2 3.07Å; S259-R278 PolarHBondContact OG-NH1 3.36Å; S259-R278 PolarHBondContact OG-NH2 2.86Å; C270-R278 WeakPolarHBondContact O-CA 3.41Å; C270-R278 WeakPolarHBondContact O-CB 3.48Å; C270-R278 PolarHBondContact O-N 2.68Å; K272-R278 HydrophobicContact CG-CB 3.94Å; K272-R278 HydrophobicContact CG-CG 4.46Å; Q276-R278 PolarHBondContact O-N 2.94Å |
| 279 | F | 94.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.167 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 160.4 | 169.8 | 55.7 | -104 | 0 | 0 | 0 | 109.3 | F261 F268 C270 I277 D317 V318 | F261-F279 HydrophobicContact CE1-CE2 4.16Å; F261-F279 AromaticContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CE1-CZ 3.83Å; F261-F279 HydrophobicContact CZ-CZ 4.3Å; F268-F279 HydrophobicContact CE1-CE2 4.18Å; C270-F279 HydrophobicContact CB-CD1 3.98Å; C270-F279 HydrophobicContact CB-CD2 3.55Å; C270-F279 HydrophobicContact CB-CE1 3.66Å; C270-F279 HydrophobicContact CB-CE2 3.21Å; C270-F279 HydrophobicContact CB-CG 3.93Å; C270-F279 HydrophobicContact CB-CZ 3.27Å; C270-F279 PolarHBondContact N-O 3.48Å; C270-F279 PolarHBondContact O-N 3.25Å; I277-F279 VanDerWaalsContact CG2-C 3.48Å; I277-F279 WeakPolarHBondContact CG2-O 3.38Å; F279-D317 HydrophobicContact CD1-CB 4.39Å; F279-D317 HydrophobicContact CE1-CB 3.87Å; F279-D317 HydrophobicContact CE2-CB 4.23Å; F279-D317 HydrophobicContact CZ-CB 3.77Å; F279-V318 HydrophobicContact CB-CG1 4.19Å; F279-V318 HydrophobicContact CD2-CG1 3.48Å; F279-V318 VanDerWaalsContact CD2-CG1 3.48Å; F279-V318 HydrophobicContact CE2-CG1 4.12Å; F279-V318 HydrophobicContact CG-CG1 4.08Å |
| 280 | M | 96.1 | Very high | 94.9 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.5 | 172.5 | 64.7 | 175.7 | -68.8 | 0 | 0 | 109.9 | F268 F269 I277 | F268-M280 CarbonylContact O-C 3.56Å; F268-M280 VanDerWaalsContact O-CA 3.27Å; F268-M280 WeakPolarHBondContact O-CA 3.12Å; F269-M280 HydrophobicContact CD1-CB 3.66Å; F269-M280 HydrophobicContact CD1-CE 4.35Å; F269-M280 HydrophobicContact CD1-SD 4.43Å; F269-M280 HydrophobicContact CE1-CB 4.06Å; F269-M280 HydrophobicContact CE1-CE 3.57Å; F269-M280 HydrophobicContact CE1-SD 3.99Å; F269-M280 HydrophobicContact CG-CB 4.46Å; F269-M280 HydrophobicContact CZ-CE 4.12Å; I277-M280 HydrophobicContact CD1-SD 4.27Å; I277-M280 HydrophobicContact CG2-CB 4.07Å; I277-M280 HydrophobicContact CG2-CG 4.35Å |
| 281 | K | 96.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.6 | 172.9 | 176.1 | 171.1 | 170.4 | 48.9 | 0 | 109.2 | N267 F268 L283 Y315 V318 | N267-K281 WeakPolarHBondContact CA-O 3.49Å; F268-K281 HydrophobicContact CD1-CB 4.5Å; F268-K281 PolarHBondContact N-O 3.33Å; F268-K281 PolarHBondContact O-N 3.24Å; K281-L283 HydrophobicContact CD-CD2 4.1Å; K281-L283 HydrophobicContact CG-CD2 4.04Å; K281-Y315 HydrophobicContact CD-CD1 4.2Å; K281-Y315 HydrophobicContact CD-CE1 3.66Å; K281-Y315 WeakPolarHBondContact CE-OH 3.35Å; K281-V318 HydrophobicContact CB-CB 4.34Å; K281-V318 HydrophobicContact CB-CG1 4.02Å |
| 282 | K | 96.9 | Very high | 94.9 | Very high | 125 Ų | 125 | 52.7 Ų | 52.7 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127 | 163.8 | -178.3 | 172 | 175.5 | 61.9 | 0 | 109 | N267 | N267-K282 WeakPolarHBondContact OD1-CA 3.11Å; N267-K282 WeakPolarHBondContact OD1-CB 3.29Å; N267-K282 WeakPolarHBondContact OD1-CG 3.29Å |
| 283 | L | 95.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | trans | -94.5 | 132.9 | 176.8 | -52.7 | 175.3 | 0 | 0 | 0 | 107.9 | L263 R266 F268 K281 W285 P287 | L263-L283 HydrophobicContact CD1-CD1 4.33Å; R266-L283 WeakPolarHBondContact O-CB 3.17Å; R266-L283 PolarHBondContact O-N 2.87Å; F268-L283 HydrophobicContact CB-CD1 4.26Å; F268-L283 HydrophobicContact CB-CD2 4.28Å; F268-L283 HydrophobicContact CB-CG 4.37Å; K281-L283 HydrophobicContact CD-CD2 4.1Å; K281-L283 HydrophobicContact CG-CD2 4.04Å; L283-W285 HydrophobicContact CB-CD2 4.27Å; L283-W285 HydrophobicContact CB-CE3 4.42Å; L283-W285 WeakPolarHBondContact CB-O 3.07Å; L283-W285 HydrophobicContact CD1-CE3 4.35Å; L283-W285 HydrophobicContact CD1-CH2 3.92Å; L283-W285 HydrophobicContact CD1-CZ2 4.48Å; L283-W285 HydrophobicContact CD1-CZ3 3.87Å; L283-W285 HydrophobicContact CD2-CH2 3.91Å; L283-W285 HydrophobicContact CD2-CZ2 3.74Å; L283-W285 HydrophobicContact CG-CH2 4.39Å; L283-W285 HydrophobicContact CG-CZ2 4.48Å; L283-W285 PolarHBondContact O-N 3.4Å; L283-P287 HydrophobicContact CD1-CB 3.91Å; L283-P287 HydrophobicContact CD1-CG 3.79Å | ||
| 284 | D | 94 | Very high | 94.2 | Very high | 142 Ų | 142 | 53.1 Ų | 53.1 | 76% | 0.759 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -88.7 | 14 | 176.8 | -58.5 | -49.7 | 0 | 0 | 0 | 111.8 | ||
| 285 | W | 94 | Very high | 93.6 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 16% | 0.163 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -147.7 | 156.8 | -177.1 | 42.5 | -98.7 | 0 | 0 | 0 | 109.1 | L283 P287 I305 N307 H313 Y315 | L283-W285 HydrophobicContact CB-CD2 4.27Å; L283-W285 HydrophobicContact CB-CE3 4.42Å; L283-W285 WeakPolarHBondContact CB-O 3.07Å; L283-W285 HydrophobicContact CD1-CE3 4.35Å; L283-W285 HydrophobicContact CD1-CH2 3.92Å; L283-W285 HydrophobicContact CD1-CZ2 4.48Å; L283-W285 HydrophobicContact CD1-CZ3 3.87Å; L283-W285 HydrophobicContact CD2-CH2 3.91Å; L283-W285 HydrophobicContact CD2-CZ2 3.74Å; L283-W285 HydrophobicContact CG-CH2 4.39Å; L283-W285 HydrophobicContact CG-CZ2 4.48Å; L283-W285 PolarHBondContact O-N 3.4Å; W285-P287 HydrophobicContact CE3-CB 4.25Å; W285-P287 HydrophobicContact CZ3-CB 3.69Å; W285-P287 WeakPolarHBondContact O-CD 3.48Å; W285-I305 HydrophobicContact CH2-CB 3.79Å; W285-I305 HydrophobicContact CH2-CD1 4.42Å; W285-I305 HydrophobicContact CH2-CG2 3.42Å; W285-I305 VanDerWaalsContact CH2-CG2 3.42Å; W285-I305 HydrophobicContact CZ3-CB 4.4Å; W285-I305 HydrophobicContact CZ3-CG2 3.6Å; W285-N307 HydrophobicContact CD2-CB 4.14Å; W285-N307 HydrophobicContact CE3-CB 3.42Å; W285-N307 VanDerWaalsContact CE3-CB 3.42Å; W285-N307 HydrophobicContact CZ3-CB 3.77Å; W285-H313 AromaticContact CE2-CE1 3.8Å; W285-H313 AromaticContact CE2-ND1 3.87Å; W285-H313 AromaticContact CH2-ND1 3.85Å; W285-H313 HydrophobicContact CZ2-CB 4.28Å; W285-H313 AromaticContact CZ2-CE1 3.92Å; W285-H313 AromaticContact CZ2-CG 3.82Å; W285-H313 AromaticContact CZ2-ND1 3.51Å; W285-H313 AromaticContact NE1-CE1 3.9Å; W285-Y315 HydrophobicContact CZ2-CE2 4.07Å |
| 286 | S | 96.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 51% | 0.51 | 29% | 0.29 | S | S | . | . | trans | -80.1 | 112.1 | 179.5 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | N307 H308 | S286-N307 WeakPolarHBondContact O-CA 3.38Å; S286-N307 WeakPolarHBondContact O-CB 3.44Å; S286-H308 PolarHBondContact O-CD2 2.66Å; S286-H308 PolarHBondContact O-N 2.98Å; S286-H308 VanDerWaalsContact O-N 3.14Å | ||
| 287 | P | 97.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 154.2 | 173.1 | 33.8 | -35.3 | 0 | 0 | 0 | 110.4 | L246 L263 G264 E265 L283 W285 I305 G306 | L246-P287 HydrophobicContact CD1-CG 4.13Å; L246-P287 VanDerWaalsContact CD1-O 3.24Å; L246-P287 WeakPolarHBondContact CD1-O 3.24Å; L263-P287 HydrophobicContact CD1-CB 3.67Å; L263-P287 HydrophobicContact CD1-CG 3.93Å; L263-P287 HydrophobicContact CD2-CB 4.01Å; L263-P287 HydrophobicContact CD2-CG 4.43Å; L263-P287 HydrophobicContact CG-CB 4.03Å; L263-P287 HydrophobicContact CG-CG 4.07Å; G264-P287 WeakPolarHBondContact O-CG 3.33Å; E265-P287 WeakPolarHBondContact O-CD 3.49Å; L283-P287 HydrophobicContact CD1-CB 3.91Å; L283-P287 HydrophobicContact CD1-CG 3.79Å; W285-P287 HydrophobicContact CE3-CB 4.25Å; W285-P287 HydrophobicContact CZ3-CB 3.69Å; W285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-I305 HydrophobicContact CB-CG2 3.91Å; P287-G306 WeakPolarHBondContact CA-O 3.47Å |
| 288 | S | 96.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 12% | 0.119 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | -41.8 | 177.8 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | G306 P330 | S288-G306 PolarHBondContact N-O 3.35Å; S288-G306 PolarHBondContact OG-O 3.48Å; S288-P330 WeakPolarHBondContact CB-O 3.18Å; S288-P330 PolarHBondContact OG-O 2.78Å |
| 289 | C | 96.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 163.4 | 174.8 | 60 | 0 | 0 | 0 | 0 | 110.7 | I305 G306 V331 | C289-I305 WeakPolarHBondContact O-CA 3.31Å; C289-G306 PolarHBondContact O-N 2.76Å; C289-V331 WeakPolarHBondContact CB-O 3.18Å |
| 290 | F | 97.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 161 | 172.2 | 84.3 | -58.1 | 0 | 0 | 0 | 113.2 | D247 C249 F261 L263 F268 P292 T303 L304 I305 | D247-F290 HydrophobicContact CB-CD1 3.88Å; D247-F290 HydrophobicContact CB-CE1 3.6Å; D247-F290 WeakPolarHBondContact OD2-CE1 3.06Å; C249-F290 HydrophobicContact CB-CE1 4.27Å; C249-F290 HydrophobicContact CB-CE2 4.08Å; C249-F290 HydrophobicContact CB-CZ 3.59Å; F261-F290 HydrophobicContact CB-CE2 3.53Å; F261-F290 HydrophobicContact CB-CZ 3.97Å; F261-F290 HydrophobicContact CG-CE2 4.48Å; L263-F290 HydrophobicContact CB-CD1 3.44Å; L263-F290 VanDerWaalsContact CB-CD1 3.44Å; L263-F290 HydrophobicContact CB-CE1 3.63Å; L263-F290 HydrophobicContact CB-CG 3.93Å; L263-F290 HydrophobicContact CB-CZ 4.29Å; L263-F290 HydrophobicContact CD1-CB 4.22Å; L263-F290 HydrophobicContact CD1-CG 4.35Å; L263-F290 HydrophobicContact CD2-CB 3.9Å; L263-F290 HydrophobicContact CD2-CD1 3.67Å; L263-F290 HydrophobicContact CD2-CG 4.04Å; L263-F290 HydrophobicContact CG-CB 4.47Å; L263-F290 HydrophobicContact CG-CD1 4.1Å; L263-F290 HydrophobicContact CG-CG 4.35Å; F268-F290 HydrophobicContact CD2-CD2 4.5Å; F268-F290 AromaticContact CE2-CD2 3.85Å; F268-F290 HydrophobicContact CE2-CD2 3.85Å; F268-F290 AromaticContact CE2-CE2 3.99Å; F268-F290 HydrophobicContact CE2-CE2 3.99Å; F290-P292 HydrophobicContact CE2-CG 4.35Å; F290-T303 HydrophobicContact CD2-CG2 3.79Å; F290-L304 CarbonylContact C-O 3.52Å; F290-L304 WeakPolarHBondContact CA-O 3Å; F290-L304 VanDerWaalsContact CB-O 3.32Å; F290-L304 WeakPolarHBondContact CB-O 3.47Å; F290-I305 HydrophobicContact CB-CB 4.39Å; F290-I305 HydrophobicContact CB-CG1 4.07Å; F290-I305 HydrophobicContact CB-CG2 4.24Å |
| 291 | L | 95.8 | Very high | 89.9 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 113.4 | 174 | -175.8 | 77.4 | 0 | 0 | 0 | 110.9 | T303 L304 V333 V335 | L291-T303 WeakPolarHBondContact O-CA 3.34Å; L291-L304 HydrophobicContact CD2-CD1 4.49Å; L291-L304 PolarHBondContact N-O 3.49Å; L291-L304 PolarHBondContact O-N 2.86Å; L291-V333 HydrophobicContact CB-CG1 3.91Å; L291-V335 HydrophobicContact CD2-CB 4.16Å; L291-V335 HydrophobicContact CD2-CG2 3.95Å |
| 292 | P | 94.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.3 | 165.2 | 29.3 | -32.1 | 0 | 0 | 0 | 110.6 | C249 V251 F261 F290 I301 N302 | C249-P292 HydrophobicContact CB-CG 3.83Å; C249-P292 WeakPolarHBondContact SG-CG 3.23Å; V251-P292 HydrophobicContact CG1-CB 3.89Å; V251-P292 HydrophobicContact CG1-CG 3.49Å; V251-P292 VanDerWaalsContact CG1-CG 3.49Å; V251-P292 HydrophobicContact CG2-CB 4.28Å; V251-P292 HydrophobicContact CG2-CG 4.45Å; F261-P292 HydrophobicContact CD2-CB 4.17Å; F261-P292 HydrophobicContact CD2-CG 4.28Å; F261-P292 HydrophobicContact CE2-CB 4.33Å; F290-P292 HydrophobicContact CE2-CG 4.35Å; P292-I301 HydrophobicContact CB-CG2 4.02Å; P292-N302 CarbonylContact C-O 3.52Å; P292-N302 WeakPolarHBondContact CA-O 3.27Å |
| 293 | Y | 89.3 | Confident | 89.6 | Confident | 55 Ų | 55 | 45 Ų | 45 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 167.1 | 179.6 | 70.4 | -77.2 | 0 | 0 | 0 | 110.8 | S295 N302 L304 I314 | Y293-S295 PolarHBondContact O-N 3.28Å; Y293-N302 HydrophobicContact CD1-CB 3.86Å; Y293-N302 HydrophobicContact CD2-CB 4.2Å; Y293-N302 HydrophobicContact CE1-CB 3.38Å; Y293-N302 HydrophobicContact CE2-CB 3.75Å; Y293-N302 HydrophobicContact CG-CB 4.26Å; Y293-N302 PolarHBondContact N-O 2.79Å; Y293-N302 PolarHBondContact O-N 2.86Å; Y293-N302 VanDerWaalsContact O-O 3.11Å; Y293-N302 PolarHBondContact OH-ND2 3.26Å; Y293-L304 HydrophobicContact CD1-CD1 3.22Å; Y293-L304 HydrophobicContact CD1-CG 4Å; Y293-L304 HydrophobicContact CE1-CD1 3.32Å; Y293-L304 HydrophobicContact CE1-CG 3.63Å; Y293-L304 HydrophobicContact CG-CD1 4.02Å; Y293-I314 HydrophobicContact CE1-CG2 4.4Å; Y293-I314 WeakPolarHBondContact OH-CG2 3.36Å |
| 294 | C | 81 | Confident | 89.6 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 54% | 0.541 | 26% | 0.263 | S | S | . | . | trans | -57.7 | 127.8 | -176.5 | -72.7 | 0 | 0 | 0 | 0 | 111.4 | F253 | F253-C294 WeakPolarHBondContact CD1-SG 3.38Å; F253-C294 WeakPolarHBondContact CE1-SG 3.28Å | ||
| 295 | S | 79.4 | Confident | 89.8 | Confident | 15 Ų | 15 | 38 Ų | 38 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | trans | -84.2 | 152.6 | 169.1 | -164.8 | 0 | 0 | 0 | 0 | 110.6 | Y293 S297 T300 N302 | Y293-S295 PolarHBondContact O-N 3.28Å; S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact OG-N 3.4Å; S295-T300 VanDerWaalsContact CB-O 3.22Å; S295-T300 WeakPolarHBondContact CB-O 3.45Å; S295-T300 PolarHBondContact OG-OG1 3.46Å; S295-T300 VanDerWaalsContact OG-OG1 3.09Å; S295-N302 WeakPolarHBondContact CB-OD1 3.43Å; S295-N302 PolarHBondContact OG-OD1 3.33Å | ||
| 296 | V | 75.9 | Confident | 89.9 | Confident | 147 Ų | 147 | 36 Ų | 36 | 89% | 0.891 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -81.3 | -15.4 | 168.6 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 297 | S | 79.8 | Confident | 89.8 | Confident | 51 Ų | 51 | 32.6 Ų | 32.6 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -100.9 | 129.7 | -176.7 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | S295 G299 T300 Q316 | S295-S297 VanDerWaalsContact C-N 3.32Å; S295-S297 PolarHBondContact OG-N 3.4Å; S297-G299 PolarHBondContact O-N 3.03Å; S297-T300 WeakPolarHBondContact CB-OG1 3.38Å; S297-T300 PolarHBondContact O-N 3.48Å; S297-T300 PolarHBondContact O-OG1 3.34Å; S297-Q316 PolarHBondContact OG-NE2 2.99Å |
| 298 | E | 76.2 | Confident | 89.8 | Confident | 173 Ų | 173 | 37.2 Ų | 37.2 | 81% | 0.808 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 134.5 | -179.1 | -65.8 | -176.1 | 176.7 | 0 | 0 | 112 | T300 | E298-T300 PolarHBondContact O-N 3.13Š|
| 299 | G | 79.4 | Confident | 89.7 | Confident | 53 Ų | 53 | 42.2 Ų | 42.2 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | -7.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S297 | S297-G299 PolarHBondContact O-N 3.03Š|
| 300 | T | 86.5 | Confident | 89.5 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | trans | -105.7 | 162.6 | 179.2 | 65.9 | 0 | 0 | 0 | 0 | 111.7 | S295 S297 E298 Q316 | S295-T300 VanDerWaalsContact CB-O 3.22Å; S295-T300 WeakPolarHBondContact CB-O 3.45Å; S295-T300 PolarHBondContact OG-OG1 3.46Å; S295-T300 VanDerWaalsContact OG-OG1 3.09Å; S297-T300 WeakPolarHBondContact CB-OG1 3.38Å; S297-T300 PolarHBondContact O-N 3.48Å; S297-T300 PolarHBondContact O-OG1 3.34Å; E298-T300 PolarHBondContact O-N 3.13Å; T300-Q316 HydrophobicContact CG2-CG 4.33Å; T300-Q316 PolarHBondContact OG1-NE2 3.47Å | ||
| 301 | I | 88.9 | Confident | 89.5 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | trans | -126.7 | 132.1 | 176.5 | -62.2 | 173.8 | 0 | 0 | 0 | 108.1 | V251 F253 F261 P292 D317 | V251-I301 HydrophobicContact CG2-CD1 3.84Å; V251-I301 HydrophobicContact CG2-CG2 4.43Å; F253-I301 HydrophobicContact CE2-CG2 4.13Å; F261-I301 HydrophobicContact CE2-CB 4.36Å; F261-I301 HydrophobicContact CE2-CD1 3.62Å; F261-I301 HydrophobicContact CE2-CG2 3.96Å; F261-I301 HydrophobicContact CZ-CB 3.84Å; F261-I301 HydrophobicContact CZ-CD1 3.74Å; F261-I301 HydrophobicContact CZ-CG1 4.35Å; F261-I301 HydrophobicContact CZ-CG2 3.72Å; P292-I301 HydrophobicContact CB-CG2 4.02Å; I301-D317 PolarHBondContact N-OD1 3.11Å; I301-D317 PolarHBondContact O-N 3.41Å | ||
| 302 | N | 92.7 | Very high | 89.6 | Confident | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 146.7 | 172.1 | -72.9 | 6.1 | 0 | 0 | 0 | 109.2 | P292 Y293 S295 Y315 | P292-N302 CarbonylContact C-O 3.52Å; P292-N302 WeakPolarHBondContact CA-O 3.27Å; Y293-N302 HydrophobicContact CD1-CB 3.86Å; Y293-N302 HydrophobicContact CD2-CB 4.2Å; Y293-N302 HydrophobicContact CE1-CB 3.38Å; Y293-N302 HydrophobicContact CE2-CB 3.75Å; Y293-N302 HydrophobicContact CG-CB 4.26Å; Y293-N302 PolarHBondContact N-O 2.79Å; Y293-N302 PolarHBondContact O-N 2.86Å; Y293-N302 VanDerWaalsContact O-O 3.11Å; Y293-N302 PolarHBondContact OH-ND2 3.26Å; S295-N302 WeakPolarHBondContact CB-OD1 3.43Å; S295-N302 PolarHBondContact OG-OD1 3.33Å; N302-Y315 CarbonylContact C-O 3.48Å; N302-Y315 WeakPolarHBondContact CA-O 3.3Å |
| 303 | T | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 129.9 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | F268 F290 L291 I305 I314 Y315 | F268-T303 HydrophobicContact CE2-CG2 3.96Å; F268-T303 HydrophobicContact CZ-CG2 3.68Å; F290-T303 HydrophobicContact CD2-CG2 3.79Å; L291-T303 WeakPolarHBondContact O-CA 3.34Å; T303-I305 HydrophobicContact CG2-CD1 4.45Å; T303-I305 HydrophobicContact CG2-CG1 3.9Å; T303-I314 CarbonylContact O-C 3.52Å; T303-I314 WeakPolarHBondContact O-CA 3.35Å; T303-Y315 PolarHBondContact N-O 2.87Å; T303-Y315 PolarHBondContact O-N 3.47Å |
| 304 | L | 96 | Very high | 90 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 133.3 | 166.7 | -64 | 118.3 | 0 | 0 | 0 | 108.6 | F290 L291 Y293 L312 H313 I314 V335 I345 | F290-L304 CarbonylContact C-O 3.52Å; F290-L304 WeakPolarHBondContact CA-O 3Å; F290-L304 VanDerWaalsContact CB-O 3.32Å; F290-L304 WeakPolarHBondContact CB-O 3.47Å; L291-L304 HydrophobicContact CD2-CD1 4.49Å; L291-L304 PolarHBondContact N-O 3.49Å; L291-L304 PolarHBondContact O-N 2.86Å; Y293-L304 HydrophobicContact CD1-CD1 3.22Å; Y293-L304 HydrophobicContact CD1-CG 4Å; Y293-L304 HydrophobicContact CE1-CD1 3.32Å; Y293-L304 HydrophobicContact CE1-CG 3.63Å; Y293-L304 HydrophobicContact CG-CD1 4.02Å; L304-L312 HydrophobicContact CB-CD1 4.15Å; L304-L312 HydrophobicContact CD2-CD1 4.35Å; L304-L312 HydrophobicContact CD2-CD2 3.53Å; L304-L312 HydrophobicContact CD2-CG 3.95Å; L304-H313 CarbonylContact C-O 3.59Å; L304-H313 WeakPolarHBondContact CA-O 3.38Å; L304-I314 HydrophobicContact CD2-CD1 4.18Å; L304-I314 HydrophobicContact CD2-CG1 3.82Å; L304-I314 HydrophobicContact CG-CG1 4.18Å; L304-V335 HydrophobicContact CD1-CG2 3.45Å; L304-V335 VanDerWaalsContact CD1-CG2 3.45Å; L304-I345 HydrophobicContact CD2-CD1 3.93Å; L304-I345 HydrophobicContact CD2-CG1 4.36Å |
| 305 | I | 97.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 116.7 | 173.7 | -47.7 | 179.2 | 0 | 0 | 0 | 108.4 | L263 F268 W285 P287 C289 F290 T303 H313 Y315 | L263-I305 HydrophobicContact CD1-CG2 3.89Å; F268-I305 HydrophobicContact CB-CD1 4.25Å; F268-I305 HydrophobicContact CD1-CD1 4.11Å; F268-I305 HydrophobicContact CD2-CD1 4.04Å; F268-I305 HydrophobicContact CE1-CD1 4.43Å; F268-I305 HydrophobicContact CE2-CD1 4.38Å; F268-I305 HydrophobicContact CG-CD1 3.88Å; W285-I305 HydrophobicContact CH2-CB 3.79Å; W285-I305 HydrophobicContact CH2-CD1 4.42Å; W285-I305 HydrophobicContact CH2-CG2 3.42Å; W285-I305 VanDerWaalsContact CH2-CG2 3.42Å; W285-I305 HydrophobicContact CZ3-CB 4.4Å; W285-I305 HydrophobicContact CZ3-CG2 3.6Å; P287-I305 HydrophobicContact CB-CG2 3.91Å; C289-I305 WeakPolarHBondContact O-CA 3.31Å; F290-I305 HydrophobicContact CB-CB 4.39Å; F290-I305 HydrophobicContact CB-CG1 4.07Å; F290-I305 HydrophobicContact CB-CG2 4.24Å; T303-I305 HydrophobicContact CG2-CD1 4.45Å; T303-I305 HydrophobicContact CG2-CG1 3.9Å; I305-H313 PolarHBondContact N-O 2.84Å; I305-H313 PolarHBondContact O-N 3.27Å; I305-Y315 HydrophobicContact CD1-CD2 3.82Å; I305-Y315 HydrophobicContact CD1-CE2 4.14Å; I305-Y315 HydrophobicContact CG1-CD2 4.26Å |
| 306 | G | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 152.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P287 S288 C289 M311 | P287-G306 WeakPolarHBondContact CA-O 3.47Å; S288-G306 PolarHBondContact N-O 3.35Å; S288-G306 PolarHBondContact OG-O 3.48Å; C289-G306 PolarHBondContact O-N 2.76Å; G306-M311 WeakPolarHBondContact CA-O 3.25Å |
| 307 | N | 95 | Very high | 92 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 166.7 | 176.9 | 74.5 | 7.4 | 0 | 0 | 0 | 112.3 | W285 S286 N309 N310 M311 H313 | W285-N307 HydrophobicContact CD2-CB 4.14Å; W285-N307 HydrophobicContact CE3-CB 3.42Å; W285-N307 VanDerWaalsContact CE3-CB 3.42Å; W285-N307 HydrophobicContact CZ3-CB 3.77Å; S286-N307 WeakPolarHBondContact O-CA 3.38Å; S286-N307 WeakPolarHBondContact O-CB 3.44Å; N307-N309 PolarHBondContact O-N 3.48Å; N307-N309 VanDerWaalsContact O-N 3.13Å; N307-N309 VanDerWaalsContact OD1-C 3.32Å; N307-N309 WeakPolarHBondContact OD1-CA 3.45Å; N307-N309 PolarHBondContact OD1-N 3.1Å; N307-N310 PolarHBondContact O-N 2.97Å; N307-N310 PolarHBondContact OD1-N 3.43Å; N307-M311 PolarHBondContact N-O 2.79Å; N307-M311 WeakPolarHBondContact OD1-CA 3.45Å; N307-M311 WeakPolarHBondContact OD1-CB 3.49Å; N307-M311 PolarHBondContact OD1-N 3.43Å; N307-M311 PolarHBondContact OD1-O 2.79Å; N307-H313 PolarHBondContact ND2-CE1 3.37Å |
| 308 | H | 95.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 37 Ų | 37 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 1.6 | 176.2 | -72.1 | -88.8 | 0 | 0 | 0 | 114.7 | S286 I329 | S286-H308 PolarHBondContact O-CD2 2.66Å; S286-H308 PolarHBondContact O-N 2.98Å; S286-H308 VanDerWaalsContact O-N 3.14Å; H308-I329 WeakPolarHBondContact O-CD1 3.45Å |
| 309 | N | 94.3 | Very high | 93.5 | Very high | 121 Ų | 121 | 32.6 Ų | 32.6 | 65% | 0.647 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 23.1 | 174.2 | -69.3 | -7.6 | 0 | 0 | 0 | 111.7 | N307 M311 | N307-N309 PolarHBondContact O-N 3.48Å; N307-N309 VanDerWaalsContact O-N 3.13Å; N307-N309 VanDerWaalsContact OD1-C 3.32Å; N307-N309 WeakPolarHBondContact OD1-CA 3.45Å; N307-N309 PolarHBondContact OD1-N 3.1Å; N309-M311 VanDerWaalsContact C-N 3.28Å; N309-M311 PolarHBondContact O-N 2.93Å |
| 310 | N | 93.9 | Very high | 94.3 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 55.2 | 41.7 | 179.4 | -47.7 | 19.8 | 0 | 0 | 0 | 111.8 | N307 L326 H328 I329 | N307-N310 PolarHBondContact O-N 2.97Å; N307-N310 PolarHBondContact OD1-N 3.43Å; N310-L326 WeakPolarHBondContact CB-O 3.18Å; N310-L326 WeakPolarHBondContact O-CA 3.35Å; N310-L326 WeakPolarHBondContact O-CB 3.48Å; N310-L326 PolarHBondContact O-N 3.44Å; N310-H328 WeakPolarHBondContact CA-O 3.39Å; N310-H328 WeakPolarHBondContact CB-O 3.27Å; N310-I329 WeakPolarHBondContact OD1-CG1 3.33Å |
| 311 | M | 96.5 | Very high | 94.7 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 143.9 | 175.1 | -65.9 | -149.2 | -62 | 0 | 0 | 112 | G306 N307 N309 T324 Q325 | G306-M311 WeakPolarHBondContact CA-O 3.25Å; N307-M311 PolarHBondContact N-O 2.79Å; N307-M311 WeakPolarHBondContact OD1-CA 3.45Å; N307-M311 WeakPolarHBondContact OD1-CB 3.49Å; N307-M311 PolarHBondContact OD1-N 3.43Å; N307-M311 PolarHBondContact OD1-O 2.79Å; N309-M311 VanDerWaalsContact C-N 3.28Å; N309-M311 PolarHBondContact O-N 2.93Å; M311-T324 WeakPolarHBondContact CA-O 3.35Å; M311-Q325 HydrophobicContact CG-CG 4.46Å; M311-Q325 HydrophobicContact SD-CG 4.32Å |
| 312 | L | 97 | Very high | 95 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.6 | 174.6 | -166.1 | 67.5 | 0 | 0 | 0 | 109.6 | L304 A323 T324 L326 V333 I345 | L304-L312 HydrophobicContact CB-CD1 4.15Å; L304-L312 HydrophobicContact CD2-CD1 4.35Å; L304-L312 HydrophobicContact CD2-CD2 3.53Å; L304-L312 HydrophobicContact CD2-CG 3.95Å; L312-A323 WeakPolarHBondContact O-CA 3.33Å; L312-T324 HydrophobicContact CB-CG2 3.78Å; L312-T324 HydrophobicContact CD2-CG2 4.36Å; L312-T324 PolarHBondContact N-O 2.88Å; L312-T324 PolarHBondContact O-N 2.77Å; L312-L326 HydrophobicContact CB-CD1 3.8Å; L312-L326 HydrophobicContact CB-CD2 4.21Å; L312-L326 HydrophobicContact CB-CG 3.97Å; L312-L326 HydrophobicContact CD1-CD1 4.47Å; L312-L326 HydrophobicContact CD2-CD2 4.41Å; L312-V333 HydrophobicContact CD1-CG2 4.41Å; L312-I345 HydrophobicContact CD2-CD1 3.93Å; L312-I345 HydrophobicContact CD2-CG2 3.74Å |
| 313 | H | 96.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.2 | 178.2 | -63.2 | 87.7 | 0 | 0 | 0 | 110.1 | W285 L304 I305 N307 Y315 L320 | W285-H313 AromaticContact CE2-CE1 3.8Å; W285-H313 AromaticContact CE2-ND1 3.87Å; W285-H313 AromaticContact CH2-ND1 3.85Å; W285-H313 HydrophobicContact CZ2-CB 4.28Å; W285-H313 AromaticContact CZ2-CE1 3.92Å; W285-H313 AromaticContact CZ2-CG 3.82Å; W285-H313 AromaticContact CZ2-ND1 3.51Å; W285-H313 AromaticContact NE1-CE1 3.9Å; L304-H313 CarbonylContact C-O 3.59Å; L304-H313 WeakPolarHBondContact CA-O 3.38Å; I305-H313 PolarHBondContact N-O 2.84Å; I305-H313 PolarHBondContact O-N 3.27Å; N307-H313 PolarHBondContact ND2-CE1 3.37Å; H313-Y315 HydrophobicContact CB-CD2 4.04Å; H313-Y315 HydrophobicContact CB-CE2 3.5Å; H313-Y315 VanDerWaalsContact CB-CE2 3.5Å; H313-L320 HydrophobicContact CB-CD1 3.78Å |
| 314 | I | 96 | Very high | 95.2 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 110.8 | 173.6 | -63.9 | 169.4 | 0 | 0 | 0 | 108 | Y293 T303 L304 K321 W322 L359 | Y293-I314 HydrophobicContact CE1-CG2 4.4Å; Y293-I314 WeakPolarHBondContact OH-CG2 3.36Å; T303-I314 CarbonylContact O-C 3.52Å; T303-I314 WeakPolarHBondContact O-CA 3.35Å; L304-I314 HydrophobicContact CD2-CD1 4.18Å; L304-I314 HydrophobicContact CD2-CG1 3.82Å; L304-I314 HydrophobicContact CG-CG1 4.18Å; I314-K321 HydrophobicContact CG2-CB 4.42Å; I314-K321 PolarHBondContact O-N 2.78Å; I314-W322 HydrophobicContact CB-CB 4.01Å; I314-W322 HydrophobicContact CD1-CB 4.04Å; I314-W322 HydrophobicContact CG1-CB 4.42Å; I314-W322 PolarHBondContact N-O 3.41Å; I314-W322 PolarHBondContact O-N 2.84Å; I314-L359 HydrophobicContact CD1-CD1 3.5Å; I314-L359 HydrophobicContact CD1-CD2 4.14Å; I314-L359 HydrophobicContact CD1-CG 4.43Å |
| 315 | Y | 95.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 144.2 | 174.4 | -73.8 | -79.6 | 0 | 0 | 0 | 110.9 | K281 W285 N302 T303 I305 H313 V318 T319 L320 | K281-Y315 HydrophobicContact CD-CD1 4.2Å; K281-Y315 HydrophobicContact CD-CE1 3.66Å; K281-Y315 WeakPolarHBondContact CE-OH 3.35Å; W285-Y315 HydrophobicContact CZ2-CE2 4.07Å; N302-Y315 CarbonylContact C-O 3.48Å; N302-Y315 WeakPolarHBondContact CA-O 3.3Å; T303-Y315 PolarHBondContact N-O 2.87Å; T303-Y315 PolarHBondContact O-N 3.47Å; I305-Y315 HydrophobicContact CD1-CD2 3.82Å; I305-Y315 HydrophobicContact CD1-CE2 4.14Å; I305-Y315 HydrophobicContact CG1-CD2 4.26Å; H313-Y315 HydrophobicContact CB-CD2 4.04Å; H313-Y315 HydrophobicContact CB-CE2 3.5Å; H313-Y315 VanDerWaalsContact CB-CE2 3.5Å; Y315-V318 WeakPolarHBondContact CD1-O 3.45Å; Y315-T319 CarbonylContact C-O 3.58Å; Y315-T319 WeakPolarHBondContact CA-O 3.36Å; Y315-T319 VanDerWaalsContact CD1-C 3.47Å; Y315-L320 HydrophobicContact CD1-CB 4.11Å; Y315-L320 HydrophobicContact CD1-CD1 4.37Å; Y315-L320 HydrophobicContact CE1-CB 3.6Å; Y315-L320 HydrophobicContact CE1-CD1 3.91Å; Y315-L320 HydrophobicContact CE1-CG 4.35Å; Y315-L320 HydrophobicContact CE2-CD1 4.09Å |
| 316 | Q | 92.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.3 | 157.6 | -175 | -177 | 19.7 | 0 | 0 | 106.3 | S297 T300 V318 T319 K321 | S297-Q316 PolarHBondContact OG-NE2 2.99Å; T300-Q316 HydrophobicContact CG2-CG 4.33Å; T300-Q316 PolarHBondContact OG1-NE2 3.47Å; Q316-V318 PolarHBondContact O-N 2.89Å; Q316-T319 PolarHBondContact N-O 2.73Å; Q316-T319 PolarHBondContact O-N 2.8Å; Q316-K321 HydrophobicContact CB-CD 4.35Å; Q316-K321 HydrophobicContact CB-CG 3.73Å |
| 317 | D | 90 | Very high | 94.9 | Very high | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -99.4 | -163.3 | -55.8 | -27.6 | 0 | 0 | 0 | 111.8 | F279 I301 | F279-D317 HydrophobicContact CD1-CB 4.39Å; F279-D317 HydrophobicContact CE1-CB 3.87Å; F279-D317 HydrophobicContact CE2-CB 4.23Å; F279-D317 HydrophobicContact CZ-CB 3.77Å; I301-D317 PolarHBondContact N-OD1 3.11Å; I301-D317 PolarHBondContact O-N 3.41Å |
| 318 | V | 93.3 | Very high | 94.9 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 35% | 0.352 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -4.7 | 176.5 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | F279 K281 Y315 Q316 | F279-V318 HydrophobicContact CB-CG1 4.19Å; F279-V318 HydrophobicContact CD2-CG1 3.48Å; F279-V318 VanDerWaalsContact CD2-CG1 3.48Å; F279-V318 HydrophobicContact CE2-CG1 4.12Å; F279-V318 HydrophobicContact CG-CG1 4.08Å; K281-V318 HydrophobicContact CB-CB 4.34Å; K281-V318 HydrophobicContact CB-CG1 4.02Å; Y315-V318 WeakPolarHBondContact CD1-O 3.45Å; Q316-V318 PolarHBondContact O-N 2.89Å |
| 319 | T | 94.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.8 | -176.9 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | Y315 Q316 K321 | Y315-T319 CarbonylContact C-O 3.58Å; Y315-T319 WeakPolarHBondContact CA-O 3.36Å; Y315-T319 VanDerWaalsContact CD1-C 3.47Å; Q316-T319 PolarHBondContact N-O 2.73Å; Q316-T319 PolarHBondContact O-N 2.8Å; T319-K321 HydrophobicContact CG2-CD 4.48Å; T319-K321 PolarHBondContact O-N 2.99Å |
| 320 | L | 95.6 | Very high | 95 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 44% | 0.44 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 119 | 175.7 | -175.5 | 65.3 | 0 | 0 | 0 | 109.7 | H313 Y315 W322 A323 | H313-L320 HydrophobicContact CB-CD1 3.78Å; Y315-L320 HydrophobicContact CD1-CB 4.11Å; Y315-L320 HydrophobicContact CD1-CD1 4.37Å; Y315-L320 HydrophobicContact CE1-CB 3.6Å; Y315-L320 HydrophobicContact CE1-CD1 3.91Å; Y315-L320 HydrophobicContact CE1-CG 4.35Å; Y315-L320 HydrophobicContact CE2-CD1 4.09Å; L320-W322 VanDerWaalsContact CD1-O 3.25Å; L320-W322 WeakPolarHBondContact CD1-O 3.36Å; L320-A323 HydrophobicContact CD2-CB 4.43Å |
| 321 | K | 94.6 | Very high | 95.2 | Very high | 111 Ų | 111 | 41.9 Ų | 41.9 | 48% | 0.483 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -34 | 177.7 | -66.3 | -57.6 | -171.3 | 169.6 | 0 | 113.1 | I314 Q316 T319 | I314-K321 HydrophobicContact CG2-CB 4.42Å; I314-K321 PolarHBondContact O-N 2.78Å; Q316-K321 HydrophobicContact CB-CD 4.35Å; Q316-K321 HydrophobicContact CB-CG 3.73Å; T319-K321 HydrophobicContact CG2-CD 4.48Å; T319-K321 PolarHBondContact O-N 2.99Å |
| 322 | W | 95.4 | Very high | 95.2 | Very high | 69 Ų | 69 | 39.1 Ų | 39.1 | 26% | 0.261 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 150.1 | 178.5 | -156.8 | -99.3 | 0 | 0 | 0 | 110 | L3 F4 I314 L320 L359 T361 | L3-W322 HydrophobicContact CD1-CH2 4.07Å; L3-W322 HydrophobicContact CD1-CZ2 4.19Å; F4-W322 HydrophobicContact CD1-CZ2 4.03Å; F4-W322 HydrophobicContact CE1-CH2 4.16Å; F4-W322 HydrophobicContact CE1-CZ2 4.08Å; F4-W322 HydrophobicContact CE1-CZ3 4.41Å; I314-W322 HydrophobicContact CB-CB 4.01Å; I314-W322 HydrophobicContact CD1-CB 4.04Å; I314-W322 HydrophobicContact CG1-CB 4.42Å; I314-W322 PolarHBondContact N-O 3.41Å; I314-W322 PolarHBondContact O-N 2.84Å; L320-W322 VanDerWaalsContact CD1-O 3.25Å; L320-W322 WeakPolarHBondContact CD1-O 3.36Å; W322-L359 HydrophobicContact CG-CD1 4.26Å; W322-T361 HydrophobicContact CH2-CG2 4.05Å; W322-T361 HydrophobicContact CZ2-CG2 3.98Å |
| 323 | A | 95.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 39.1 Ų | 39.1 | 21% | 0.207 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | F4 L312 L320 | F4-A323 VanDerWaalsContact CD1-O 3.3Å; F4-A323 WeakPolarHBondContact CD1-O 3.35Å; L312-A323 WeakPolarHBondContact O-CA 3.33Å; L320-A323 HydrophobicContact CD2-CB 4.43Å |
| 324 | T | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138 | -177.2 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | F4 K5 A6 M311 L312 L359 | F4-T324 CarbonylContact O-C 3.55Å; F4-T324 WeakPolarHBondContact O-CA 3.49Å; K5-T324 WeakPolarHBondContact CA-OG1 3.49Å; K5-T324 PolarHBondContact N-OG1 2.73Å; A6-T324 HydrophobicContact CB-CG2 4.5Å; A6-T324 PolarHBondContact N-OG1 2.71Å; M311-T324 WeakPolarHBondContact CA-O 3.35Å; L312-T324 HydrophobicContact CB-CG2 3.78Å; L312-T324 HydrophobicContact CD2-CG2 4.36Å; L312-T324 PolarHBondContact N-O 2.88Å; L312-T324 PolarHBondContact O-N 2.77Å; T324-L359 HydrophobicContact CG2-CD2 3.65Å |
| 325 | Q | 96 | Very high | 95.1 | Very high | 103 Ų | 103 | 43.1 Ų | 43.1 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 130.5 | 173.9 | -64.7 | 173.6 | -3.4 | 0 | 0 | 109.5 | F4 A6 M311 | F4-Q325 PolarHBondContact O-N 3.38Å; A6-Q325 WeakPolarHBondContact CB-O 3.2Å; A6-Q325 PolarHBondContact N-O 3.19Å; M311-Q325 HydrophobicContact CG-CG 4.46Å; M311-Q325 HydrophobicContact SD-CG 4.32Å |
| 326 | L | 95.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | trans | -100.1 | 157.1 | 171.7 | -63 | 171.6 | 0 | 0 | 0 | 109.5 | A6 N310 L312 H328 P330 T347 | A6-L326 HydrophobicContact CB-CD2 3.72Å; N310-L326 WeakPolarHBondContact CB-O 3.18Å; N310-L326 WeakPolarHBondContact O-CA 3.35Å; N310-L326 WeakPolarHBondContact O-CB 3.48Å; N310-L326 PolarHBondContact O-N 3.44Å; L312-L326 HydrophobicContact CB-CD1 3.8Å; L312-L326 HydrophobicContact CB-CD2 4.21Å; L312-L326 HydrophobicContact CB-CG 3.97Å; L312-L326 HydrophobicContact CD1-CD1 4.47Å; L312-L326 HydrophobicContact CD2-CD2 4.41Å; L326-H328 VanDerWaalsContact C-N 3.33Å; L326-P330 HydrophobicContact CD1-CG 3.24Å; L326-T347 HydrophobicContact CD2-CG2 4.34Å | ||
| 327 | P | 92.9 | Very high | 94.8 | Very high | 83 Ų | 83 | 43 Ų | 43 | 54% | 0.539 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -77.1 | -17.2 | 176.5 | 23.5 | -24.2 | 0 | 0 | 0 | 114 | ||
| 328 | H | 94.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.046 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -144.3 | 176.1 | -172.2 | 57.1 | -52.4 | 0 | 0 | 0 | 109.9 | N310 L326 P330 T347 H353 | N310-H328 WeakPolarHBondContact CA-O 3.39Å; N310-H328 WeakPolarHBondContact CB-O 3.27Å; L326-H328 VanDerWaalsContact C-N 3.33Å; H328-P330 VanDerWaalsContact O-CD 3.24Å; H328-P330 WeakPolarHBondContact O-CD 3.43Å; H328-T347 PolarHBondContact CE1-OG1 3.32Å; H328-T347 PolarHBondContact NE2-OG1 2.9Å; H328-T347 VanDerWaalsContact NE2-OG1 3.08Å; H328-H353 HydrophobicContact CB-CB 4.32Å |
| 329 | I | 97.1 | Very high | 94.4 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 26% | 0.262 | 22% | 0.223 | S | C | . | . | trans | -90.3 | 122.9 | 177 | -62.5 | 174.2 | 0 | 0 | 0 | 110.2 | H308 N310 V331 | H308-I329 WeakPolarHBondContact O-CD1 3.45Å; N310-I329 WeakPolarHBondContact OD1-CG1 3.33Å; I329-V331 PolarHBondContact O-N 2.89Å | ||
| 330 | P | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -38.9 | 102.7 | 162.4 | 48.1 | -34.3 | 0 | 0 | 0 | 120.7 | S288 L326 H328 T347 | S288-P330 WeakPolarHBondContact CB-O 3.18Å; S288-P330 PolarHBondContact OG-O 2.78Å; L326-P330 HydrophobicContact CD1-CG 3.24Å; H328-P330 VanDerWaalsContact O-CD 3.24Å; H328-P330 WeakPolarHBondContact O-CD 3.43Å; P330-T347 HydrophobicContact CB-CG2 4.3Å; P330-T347 HydrophobicContact CG-CG2 4.05Å | ||
| 331 | V | 96.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -94.2 | -36.8 | 160 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | C289 I329 L348 D350 | C289-V331 WeakPolarHBondContact CB-O 3.18Å; I329-V331 PolarHBondContact O-N 2.89Å; V331-L348 PolarHBondContact N-O 2.75Å; V331-D350 HydrophobicContact CG2-CB 3.8Å; V331-D350 VanDerWaalsContact CG2-N 3.28Å |
| 332 | A | 97 | Very high | 93.4 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L25 T347 L348 | L25-A332 HydrophobicContact CB-CB 3.6Å; L25-A332 HydrophobicContact CD2-CB 3.83Å; L25-A332 HydrophobicContact CG-CB 4.33Å; A332-T347 WeakPolarHBondContact O-CA 3.44Å; A332-L348 HydrophobicContact CB-CB 4.47Å; A332-L348 PolarHBondContact N-O 2.94Å; A332-L348 PolarHBondContact O-N 3.29Å |
| 333 | V | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 135.2 | 172.7 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | L291 L312 I345 V346 T347 | L291-V333 HydrophobicContact CB-CG1 3.91Å; L312-V333 HydrophobicContact CD1-CG2 4.41Å; V333-I345 HydrophobicContact CG2-CG2 3.83Å; V333-V346 CarbonylContact C-O 3.53Å; V333-V346 WeakPolarHBondContact CA-O 3.47Å; V333-T347 HydrophobicContact CB-CG2 4.45Å; V333-T347 HydrophobicContact CG2-CG2 4.08Å |
| 334 | R | 95.9 | Very high | 93 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.5 | 175 | -63.8 | -65.2 | 179 | -100.4 | 0.7 | 110.1 | L25 L27 V346 | L25-R334 HydrophobicContact CD2-CB 4.38Å; L25-R334 HydrophobicContact CD2-CG 3.93Å; L25-R334 HydrophobicContact CG-CG 4.02Å; L25-R334 PolarHBondContact O-NE 3.36Å; L25-R334 PolarHBondContact O-NH2 3.48Å; L27-R334 HydrophobicContact CB-CB 4.4Å; L27-R334 HydrophobicContact CD1-CB 3.44Å; L27-R334 VanDerWaalsContact CD1-CB 3.44Å; L27-R334 HydrophobicContact CD1-CG 4.5Å; L27-R334 HydrophobicContact CG-CB 3.66Å; L27-R334 HydrophobicContact CG-CG 4.22Å; R334-V346 PolarHBondContact N-O 2.87Å; R334-V346 PolarHBondContact O-N 3.39Å |
| 335 | V | 94.6 | Very high | 93 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.5 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | L291 L304 V344 I345 | L291-V335 HydrophobicContact CD2-CB 4.16Å; L291-V335 HydrophobicContact CD2-CG2 3.95Å; L304-V335 HydrophobicContact CD1-CG2 3.45Å; L304-V335 VanDerWaalsContact CD1-CG2 3.45Å; V335-V344 WeakPolarHBondContact CA-O 3.43Å; V335-I345 HydrophobicContact CG2-CG1 4.45Å |
| 336 | G | 90.2 | Very high | 93 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | -177.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D38 G343 V344 | D38-G336 WeakPolarHBondContact OD2-CA 3.37Å; G336-G343 PolarHBondContact O-N 3.46Å; G336-V344 PolarHBondContact N-O 2.8Å; G336-V344 VanDerWaalsContact N-O 3.17Å; G336-V344 PolarHBondContact O-N 2.84Å |
| 337 | C | 91.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 20% | 0.203 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 102.5 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | D38 L341 K342 | D38-C337 PolarHBondContact N-O 3.22Å; D38-C337 PolarHBondContact OD2-N 2.89Å; C337-L341 WeakPolarHBondContact CA-O 3.31Å; C337-K342 HydrophobicContact CB-CG 4.26Å |
| 338 | L | 89.8 | Confident | 93.3 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.1 | -178.3 | -59.5 | 177.5 | 0 | 0 | 0 | 109.4 | W9 D38 I40 D340 L341 V344 V346 C356 | W9-L338 HydrophobicContact CH2-CB 3.84Å; W9-L338 WeakPolarHBondContact CH2-O 3.47Å; W9-L338 HydrophobicContact CZ3-CB 3.67Å; W9-L338 HydrophobicContact CZ3-CD1 4.08Å; D38-L338 HydrophobicContact CB-CD2 4Å; D38-L338 VanDerWaalsContact O-CD2 3.23Å; D38-L338 WeakPolarHBondContact O-CD2 3.46Å; I40-L338 HydrophobicContact CD1-CD1 4.16Å; I40-L338 HydrophobicContact CG1-CD1 4.44Å; I40-L338 HydrophobicContact CG1-CD2 4.35Å; L338-D340 PolarHBondContact O-N 3.43Å; L338-L341 PolarHBondContact N-O 3.44Å; L338-L341 WeakPolarHBondContact O-CB 3.32Å; L338-L341 PolarHBondContact O-N 2.92Å; L338-V344 HydrophobicContact CB-CG2 4.49Å; L338-V344 HydrophobicContact CD1-CB 4.31Å; L338-V344 HydrophobicContact CD1-CG1 4.04Å; L338-V346 HydrophobicContact CD1-CG2 3.85Å; L338-C356 HydrophobicContact CD1-CB 4.42Å; L338-C356 VanDerWaalsContact CD1-SG 3.52Å |
| 339 | H | 86 | Confident | 93.4 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 43% | 0.426 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 55.8 | 177.8 | -159.7 | 65.3 | 0 | 0 | 0 | 114.1 | W9 H55 L341 | W9-H339 HydrophobicContact CH2-CB 3.88Å; W9-H339 HydrophobicContact CZ2-CB 4.31Å; H55-H339 AromaticContact CD2-CE1 3.68Å; H55-H339 AromaticContact CD2-ND1 3.26Å; H55-H339 PolarHBondContact CD2-ND1 2.72Å; H55-H339 VanDerWaalsContact CD2-ND1 3.26Å; H339-L341 PolarHBondContact O-N 3.3Å |
| 340 | D | 82.5 | Confident | 93.3 | Very high | 135 Ų | 135 | 37.5 Ų | 37.5 | 72% | 0.722 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 3.2 | -177.3 | -61.2 | -23.6 | 0 | 0 | 0 | 116.5 | Q37 L338 | Q37-D340 PolarHBondContact NE2-OD1 2.95Å; L338-D340 PolarHBondContact O-N 3.43Å |
| 341 | L | 89.5 | Confident | 93.1 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.2 | 170.9 | -173.3 | 60.3 | 0 | 0 | 0 | 110.3 | W9 C337 L338 H339 V344 | W9-L341 HydrophobicContact CD2-CD2 4.33Å; W9-L341 HydrophobicContact CZ2-CB 4.35Å; W9-L341 HydrophobicContact CZ2-CD2 4.2Å; C337-L341 WeakPolarHBondContact CA-O 3.31Å; L338-L341 PolarHBondContact N-O 3.44Å; L338-L341 WeakPolarHBondContact O-CB 3.32Å; L338-L341 PolarHBondContact O-N 2.92Å; H339-L341 PolarHBondContact O-N 3.3Å; L341-V344 HydrophobicContact CB-CG2 3.9Å; L341-V344 HydrophobicContact CD2-CG2 3.58Å; L341-V344 HydrophobicContact CG-CG2 3.54Å; L341-V344 WeakPolarHBondContact O-CG2 3.11Å |
| 342 | K | 90.4 | Very high | 93 | Very high | 173 Ų | 173 | 40 Ų | 40 | 75% | 0.752 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 145.4 | 175.7 | -69.1 | -178.1 | 178.7 | -177.7 | 0 | 111.4 | C337 | C337-K342 HydrophobicContact CB-CG 4.26Å |
| 343 | G | 89.8 | Confident | 92.9 | Very high | 46 Ų | 46 | 43.1 Ų | 43.1 | 47% | 0.474 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.3 | 24.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G336 | G336-G343 PolarHBondContact O-N 3.46Å |
| 344 | V | 94.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130 | 174.4 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | W9 V335 G336 L338 L341 V346 C356 | W9-V344 HydrophobicContact CE3-CG1 4.19Å; V335-V344 WeakPolarHBondContact CA-O 3.43Å; G336-V344 PolarHBondContact N-O 2.8Å; G336-V344 VanDerWaalsContact N-O 3.17Å; G336-V344 PolarHBondContact O-N 2.84Å; L338-V344 HydrophobicContact CB-CG2 4.49Å; L338-V344 HydrophobicContact CD1-CB 4.31Å; L338-V344 HydrophobicContact CD1-CG1 4.04Å; L341-V344 HydrophobicContact CB-CG2 3.9Å; L341-V344 HydrophobicContact CD2-CG2 3.58Å; L341-V344 HydrophobicContact CG-CG2 3.54Å; L341-V344 WeakPolarHBondContact O-CG2 3.11Å; V344-V346 HydrophobicContact CG1-CG2 4.5Å; V344-C356 HydrophobicContact CG1-CB 3.77Å |
| 345 | I | 95.9 | Very high | 92.8 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 117.9 | 178.2 | -55.3 | 173.9 | 0 | 0 | 0 | 107.6 | L304 L312 V333 V335 T347 C356 S357 L359 | L304-I345 HydrophobicContact CD2-CD1 3.93Å; L304-I345 HydrophobicContact CD2-CG1 4.36Å; L312-I345 HydrophobicContact CD2-CD1 3.93Å; L312-I345 HydrophobicContact CD2-CG2 3.74Å; V333-I345 HydrophobicContact CG2-CG2 3.83Å; V335-I345 HydrophobicContact CG2-CG1 4.45Å; I345-T347 HydrophobicContact CG2-CG2 4.07Å; I345-C356 CarbonylContact O-C 3.59Å; I345-C356 WeakPolarHBondContact O-CA 3.19Å; I345-S357 PolarHBondContact N-O 3.11Å; I345-S357 PolarHBondContact O-N 3.45Å; I345-S357 PolarHBondContact O-OG 3.38Å; I345-L359 HydrophobicContact CD1-CD2 3.73Å; I345-L359 HydrophobicContact CD1-CG 4.23Å |
| 346 | V | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.6 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | L25 L27 I40 V333 R334 L338 V344 L354 Q355 | L25-V346 HydrophobicContact CD1-CG1 4.19Å; L25-V346 HydrophobicContact CD2-CG1 4.28Å; L27-V346 HydrophobicContact CD1-CB 4.1Å; L27-V346 HydrophobicContact CD1-CG2 3.7Å; L27-V346 HydrophobicContact CD2-CG2 4.25Å; I40-V346 HydrophobicContact CD1-CG1 4.08Å; I40-V346 HydrophobicContact CG2-CG1 4.19Å; V333-V346 CarbonylContact C-O 3.53Å; V333-V346 WeakPolarHBondContact CA-O 3.47Å; R334-V346 PolarHBondContact N-O 2.87Å; R334-V346 PolarHBondContact O-N 3.39Å; L338-V346 HydrophobicContact CD1-CG2 3.85Å; V344-V346 HydrophobicContact CG1-CG2 4.5Å; V346-L354 HydrophobicContact CG1-CD1 4Å; V346-Q355 CarbonylContact C-O 3.57Å; V346-Q355 VanDerWaalsContact CA-O 3.29Å; V346-Q355 WeakPolarHBondContact CA-O 3.33Å |
| 347 | T | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.6 | 179 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | L326 H328 P330 A332 V333 I345 Q355 | L326-T347 HydrophobicContact CD2-CG2 4.34Å; H328-T347 PolarHBondContact CE1-OG1 3.32Å; H328-T347 PolarHBondContact NE2-OG1 2.9Å; H328-T347 VanDerWaalsContact NE2-OG1 3.08Å; P330-T347 HydrophobicContact CB-CG2 4.3Å; P330-T347 HydrophobicContact CG-CG2 4.05Å; A332-T347 WeakPolarHBondContact O-CA 3.44Å; V333-T347 HydrophobicContact CB-CG2 4.45Å; V333-T347 HydrophobicContact CG2-CG2 4.08Å; I345-T347 HydrophobicContact CG2-CG2 4.07Å; T347-Q355 PolarHBondContact N-O 3.08Å; T347-Q355 PolarHBondContact O-N 2.89Å |
| 348 | L | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.9 | 173.5 | 176.8 | 65.5 | 0 | 0 | 0 | 109.3 | L14 F20 C24 L25 V42 V331 A332 H353 L354 | L14-L348 HydrophobicContact CD1-CD1 3.85Å; F20-L348 HydrophobicContact CB-CD2 3.92Å; F20-L348 HydrophobicContact CB-CG 4.27Å; F20-L348 HydrophobicContact CD1-CD2 4.15Å; F20-L348 HydrophobicContact CD2-CD1 4.48Å; F20-L348 HydrophobicContact CG-CD1 4.3Å; F20-L348 HydrophobicContact CG-CD2 4.15Å; F20-L348 HydrophobicContact CG-CG 4.44Å; C24-L348 HydrophobicContact CB-CD2 4.05Å; L25-L348 HydrophobicContact CB-CB 4.25Å; L25-L348 HydrophobicContact CB-CD2 3.93Å; L25-L348 HydrophobicContact CD2-CB 3.97Å; L25-L348 HydrophobicContact CG-CB 4.48Å; V42-L348 HydrophobicContact CG1-CD1 4.27Å; V42-L348 HydrophobicContact CG1-CD2 3.71Å; V331-L348 PolarHBondContact N-O 2.75Å; A332-L348 HydrophobicContact CB-CB 4.47Å; A332-L348 PolarHBondContact N-O 2.94Å; A332-L348 PolarHBondContact O-N 3.29Å; L348-H353 WeakPolarHBondContact CA-O 3.35Å; L348-L354 HydrophobicContact CB-CD1 4.38Å; L348-L354 HydrophobicContact CD1-CB 4.31Å; L348-L354 HydrophobicContact CD1-CD1 4.33Å |
| 349 | S | 96.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | trans | -90.8 | 163.3 | 171.2 | -147.4 | 0 | 0 | 0 | 0 | 112.6 | D351 G352 H353 | S349-D351 VanDerWaalsContact C-N 3.32Å; S349-D351 WeakPolarHBondContact CB-OD1 3.14Å; S349-D351 PolarHBondContact OG-OD1 3.34Å; S349-G352 PolarHBondContact O-N 3.43Å; S349-H353 PolarHBondContact N-O 3.36Å | ||
| 350 | D | 94.2 | Very high | 93.6 | Very high | 86 Ų | 86 | 39.4 Ų | 39.4 | 46% | 0.46 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -35.1 | 165.9 | 51 | -5.4 | 0 | 0 | 0 | 112.4 | E19 F20 V331 G352 | E19-D350 WeakPolarHBondContact CA-O 3.42Å; F20-D350 WeakPolarHBondContact CD2-O 3.03Å; F20-D350 PolarHBondContact N-O 3.04Å; V331-D350 HydrophobicContact CG2-CB 3.8Å; V331-D350 VanDerWaalsContact CG2-N 3.28Å; D350-G352 VanDerWaalsContact C-N 3.28Å; D350-G352 PolarHBondContact O-N 2.93Å |
| 351 | D | 93.4 | Very high | 94 | Very high | 75 Ų | 75 | 37.6 Ų | 37.6 | 40% | 0.401 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 2.2 | 179.8 | 73.3 | -13.4 | 0 | 0 | 0 | 114.7 | S349 H353 | S349-D351 VanDerWaalsContact C-N 3.32Å; S349-D351 WeakPolarHBondContact CB-OD1 3.14Å; S349-D351 PolarHBondContact OG-OD1 3.34Å; D351-H353 IonicContact OD1-CE1 3.48Å; D351-H353 IonicContact OD1-CG 3.4Å; D351-H353 PolarHBondContact OD1-N 3.07Å; D351-H353 IonicContact OD1-ND1 2.7Å; D351-H353 PolarHBondContact OD1-ND1 3.13Å; D351-H353 IonicContact OD2-CE1 2.79Å; D351-H353 PolarHBondContact OD2-CE1 3.45Å; D351-H353 IonicContact OD2-ND1 3.74Å; D351-H353 PolarHBondContact OD2-ND1 2.87Å |
| 352 | G | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | 93.3 | 6.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L14 S349 D350 L354 | L14-G352 WeakPolarHBondContact CB-O 3.25Å; L14-G352 WeakPolarHBondContact CG-O 3.37Å; L14-G352 PolarHBondContact N-O 3.24Å; S349-G352 PolarHBondContact O-N 3.43Å; D350-G352 VanDerWaalsContact C-N 3.28Å; D350-G352 PolarHBondContact O-N 2.93Å; G352-L354 PolarHBondContact O-N 2.94Å; G352-L354 VanDerWaalsContact O-N 3.11Å | ||
| 353 | H | 94.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 34.9 Ų | 34.9 | 31% | 0.31 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 114.8 | 167.9 | -67.6 | 82 | 0 | 0 | 0 | 110.2 | H328 L348 S349 D351 | H328-H353 HydrophobicContact CB-CB 4.32Å; L348-H353 WeakPolarHBondContact CA-O 3.35Å; S349-H353 PolarHBondContact N-O 3.36Å; D351-H353 IonicContact OD1-CE1 3.48Å; D351-H353 IonicContact OD1-CG 3.4Å; D351-H353 PolarHBondContact OD1-N 3.07Å; D351-H353 IonicContact OD1-ND1 2.7Å; D351-H353 PolarHBondContact OD1-ND1 3.13Å; D351-H353 IonicContact OD2-CE1 2.79Å; D351-H353 PolarHBondContact OD2-CE1 3.45Å; D351-H353 IonicContact OD2-ND1 3.74Å; D351-H353 PolarHBondContact OD2-ND1 2.87Å |
| 354 | L | 95.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.7 | 174.4 | 177.7 | 67.3 | 0 | 0 | 0 | 109 | W10 S11 T12 L14 L25 I40 V42 F52 V346 L348 G352 | W10-L354 HydrophobicContact CH2-CD2 3.85Å; W10-L354 HydrophobicContact CZ3-CD2 3.67Å; W10-L354 HydrophobicContact CZ3-CG 3.97Å; S11-L354 WeakPolarHBondContact CA-O 3.28Å; T12-L354 HydrophobicContact CG2-CB 4.18Å; T12-L354 HydrophobicContact CG2-CD2 4.2Å; T12-L354 PolarHBondContact N-O 3.42Å; T12-L354 PolarHBondContact O-N 2.91Å; T12-L354 VanDerWaalsContact O-O 3.09Å; L14-L354 HydrophobicContact CD1-CB 3.91Å; L14-L354 HydrophobicContact CD1-CD2 4.18Å; L14-L354 HydrophobicContact CD2-CB 4.45Å; L14-L354 HydrophobicContact CD2-CD2 4.24Å; L14-L354 HydrophobicContact CG-CB 3.99Å; L25-L354 HydrophobicContact CD1-CD1 4.1Å; I40-L354 HydrophobicContact CG2-CD1 4.04Å; I40-L354 HydrophobicContact CG2-CD2 4.05Å; V42-L354 HydrophobicContact CG2-CD1 4.23Å; V42-L354 HydrophobicContact CG2-CD2 4.06Å; F52-L354 HydrophobicContact CD2-CD2 4Å; F52-L354 HydrophobicContact CE2-CD2 4.01Å; V346-L354 HydrophobicContact CG1-CD1 4Å; L348-L354 HydrophobicContact CB-CD1 4.38Å; L348-L354 HydrophobicContact CD1-CB 4.31Å; L348-L354 HydrophobicContact CD1-CD1 4.33Å; G352-L354 PolarHBondContact O-N 2.94Å; G352-L354 VanDerWaalsContact O-N 3.11Å |
| 355 | Q | 94.4 | Very high | 92 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 132.1 | -174.4 | 179.5 | 174.2 | 41.2 | 0 | 0 | 112.7 | D8 V346 T347 | D8-Q355 WeakPolarHBondContact OD1-CG 3.35Å; D8-Q355 PolarHBondContact OD1-NE2 2.81Å; V346-Q355 CarbonylContact C-O 3.57Å; V346-Q355 VanDerWaalsContact CA-O 3.29Å; V346-Q355 WeakPolarHBondContact CA-O 3.33Å; T347-Q355 PolarHBondContact N-O 3.08Å; T347-Q355 PolarHBondContact O-N 2.89Å |
| 356 | C | 95 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.9 | 162.4 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | W9 W10 I40 L338 V344 I345 | W9-C356 WeakPolarHBondContact CA-O 3.36Å; W9-C356 HydrophobicContact CB-CB 4.43Å; W9-C356 VanDerWaalsContact CB-O 3.3Å; W9-C356 WeakPolarHBondContact CB-O 3.4Å; W9-C356 HydrophobicContact CE3-CB 3.74Å; W9-C356 HydrophobicContact CZ3-CB 4.49Å; W9-C356 PolarHBondContact N-O 2.62Å; W10-C356 HydrophobicContact CB-CB 4.2Å; W10-C356 HydrophobicContact CE3-CB 4.47Å; W10-C356 PolarHBondContact N-O 3.48Å; W10-C356 WeakPolarHBondContact O-CA 3.49Å; W10-C356 WeakPolarHBondContact O-CB 3.43Å; W10-C356 PolarHBondContact O-N 2.93Å; I40-C356 WeakPolarHBondContact CD1-SG 3.46Å; L338-C356 HydrophobicContact CD1-CB 4.42Å; L338-C356 VanDerWaalsContact CD1-SG 3.52Å; V344-C356 HydrophobicContact CG1-CB 3.77Å; I345-C356 CarbonylContact O-C 3.59Å; I345-C356 WeakPolarHBondContact O-CA 3.19Å |
| 357 | S | 94.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 160.4 | -174.7 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | R7 I345 | R7-S357 WeakPolarHBondContact O-CA 3.42Å; R7-S357 VanDerWaalsContact O-CB 3.22Å; R7-S357 WeakPolarHBondContact O-CB 3.4Å; I345-S357 PolarHBondContact N-O 3.11Å; I345-S357 PolarHBondContact O-N 3.45Å; I345-S357 PolarHBondContact O-OG 3.38Å |
| 358 | Y | 93.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 62.3 Ų | 62.3 | 35% | 0.349 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 163.7 | 168.9 | 57.8 | -86.7 | 0 | 0 | 0 | 110.5 | R7 W9 G360 | R7-Y358 HydrophobicContact CB-CD1 4.3Å; R7-Y358 HydrophobicContact CB-CD2 3.78Å; R7-Y358 HydrophobicContact CB-CE1 3.89Å; R7-Y358 HydrophobicContact CB-CE2 3.32Å; R7-Y358 HydrophobicContact CB-CG 4.24Å; R7-Y358 HydrophobicContact CG-CD2 4.36Å; R7-Y358 HydrophobicContact CG-CE2 3.8Å; R7-Y358 PolarHBondContact N-O 3.21Å; R7-Y358 PolarHBondContact O-N 2.99Å; W9-Y358 HydrophobicContact CB-CD1 3.99Å; W9-Y358 HydrophobicContact CB-CE1 4.14Å; W9-Y358 HydrophobicContact CG-CD1 4.44Å; Y358-G360 PolarHBondContact O-N 3.29Å |
| 359 | L | 94.6 | Very high | 88.3 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 121.6 | -176 | -56.8 | 177.3 | 0 | 0 | 0 | 110.9 | I314 W322 T324 I345 T361 | I314-L359 HydrophobicContact CD1-CD1 3.5Å; I314-L359 HydrophobicContact CD1-CD2 4.14Å; I314-L359 HydrophobicContact CD1-CG 4.43Å; W322-L359 HydrophobicContact CG-CD1 4.26Å; T324-L359 HydrophobicContact CG2-CD2 3.65Å; I345-L359 HydrophobicContact CD1-CD2 3.73Å; I345-L359 HydrophobicContact CD1-CG 4.23Å; L359-T361 PolarHBondContact O-N 3.11Å |
| 360 | G | 92.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | trans | -73 | 120.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S2 L3 F4 K5 Y358 | S2-G360 CarbonylContact O-C 3.59Å; S2-G360 WeakPolarHBondContact O-CA 3.48Å; L3-G360 WeakPolarHBondContact CA-O 3.47Å; F4-G360 PolarHBondContact N-O 2.84Å; F4-G360 VanDerWaalsContact N-O 3.14Å; K5-G360 WeakPolarHBondContact O-CA 3.18Å; K5-G360 PolarHBondContact O-N 2.78Å; Y358-G360 PolarHBondContact O-N 3.29Å | ||
| 361 | T | 92.2 | Very high | 86.5 | Confident | 97 Ų | 97 | 74 Ų | 74 | 60% | 0.595 | 41% | 0.405 | S | S | * | . | trans | -114 | 3.6 | -173.6 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | W322 L359 P363 | W322-T361 HydrophobicContact CH2-CG2 4.05Å; W322-T361 HydrophobicContact CZ2-CG2 3.98Å; L359-T361 PolarHBondContact O-N 3.11Å; T361-P363 VanDerWaalsContact O-CD 3.29Å; T361-P363 WeakPolarHBondContact O-CD 3.42Å | ||
| 362 | D | 88 | Confident | 85.4 | Confident | 103 Ų | 103 | 78.5 Ų | 78.5 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | trans | -96.3 | 106.6 | -172 | -161.7 | 12.2 | 0 | 0 | 0 | 111.9 | S2 L3 | S2-D362 PolarHBondContact N-O 2.94Å; S2-D362 WeakPolarHBondContact OG-CB 3.14Å; S2-D362 PolarHBondContact OG-N 2.95Å; L3-D362 WeakPolarHBondContact CB-O 3.26Å; L3-D362 PolarHBondContact N-O 3.21Å | ||
| 363 | P | 84.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 53% | 0.532 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 133.7 | -179.2 | 27.7 | -34.1 | 0 | 0 | 0 | 111.7 | L3 T361 | L3-P363 HydrophobicContact CD2-CB 4.1Å; T361-P363 VanDerWaalsContact O-CD 3.29Å; T361-P363 WeakPolarHBondContact O-CD 3.42Å |
| 364 | S | 73.4 | Confident | 83 | Confident | 46 Ų | 46 | 90.4 Ų | 90.4 | 32% | 0.322 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 138.4 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | F366 | S364-F366 PolarHBondContact O-N 3.35Š|
| 365 | L | 74.8 | Confident | 81.9 | Confident | 142 Ų | 142 | 98.2 Ų | 98.2 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 116.9 | 158.8 | -62.1 | 171.5 | 0 | 0 | 0 | 108 | Q367 | L365-Q367 HydrophobicContact CB-CG 4.44Å; L365-Q367 PolarHBondContact O-N 3.07Å |
| 366 | F | 74.7 | Confident | 81 | Confident | 202 Ų | 202 | 102.8 Ų | 102.8 | 89% | 0.886 | 54% | 0.543 | S | S | * | . | trans | -74.8 | 70.8 | 177.7 | -67.9 | -88.1 | 0 | 0 | 0 | 110.8 | S364 | S364-F366 PolarHBondContact O-N 3.35Š| ||
| 367 | Q | 80 | Confident | 80.5 | Confident | 151 Ų | 151 | 106.9 Ų | 106.9 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | trans | -120.4 | 139.1 | 179.5 | -67.2 | -179.9 | -4.4 | 0 | 0 | 110.2 | L365 | L365-Q367 HydrophobicContact CB-CG 4.44Å; L365-Q367 PolarHBondContact O-N 3.07Å | ||
| 368 | A | 77.6 | Confident | 80.2 | Confident | 93 Ų | 93 | 114.8 Ų | 114.8 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -59.3 | 133.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | N370 | A368-N370 PolarHBondContact O-N 3.39Š| ||
| 369 | P | 76.4 | Confident | 80 | Confident | 107 Ų | 107 | 116.8 Ų | 116.8 | 70% | 0.695 | 61% | 0.613 | S | S | * | * | trans | -64.1 | 130.1 | -177.6 | 26.4 | -33 | 0 | 0 | 0 | 109.4 | V371 | P369-V371 VanDerWaalsContact C-N 3.3Å; P369-V371 HydrophobicContact CB-CG2 3.81Å; P369-V371 HydrophobicContact CG-CG2 3.94Å; P369-V371 WeakPolarHBondContact O-CG2 3.39Å; P369-V371 PolarHBondContact O-N 2.93Å | ||
| 370 | N | 76.7 | Confident | 79.6 | Confident | 159 Ų | 159 | 120.5 Ų | 120.5 | 85% | 0.85 | 63% | 0.628 | S | S | * | * | trans | -79.5 | 81.1 | 177.4 | -166.5 | -3.1 | 0 | 0 | 0 | 109.1 | A368 | A368-N370 PolarHBondContact O-N 3.39Š| ||
| 371 | V | 76.5 | Confident | 79.4 | Confident | 68 Ų | 68 | 124.3 Ų | 124.3 | 41% | 0.412 | 65% | 0.648 | S | S | . | * | trans | -99.4 | 106 | -176.5 | -142.1 | 0 | 0 | 0 | 0 | 109.6 | P369 S373 | P369-V371 VanDerWaalsContact C-N 3.3Å; P369-V371 HydrophobicContact CB-CG2 3.81Å; P369-V371 HydrophobicContact CG-CG2 3.94Å; P369-V371 WeakPolarHBondContact O-CG2 3.39Å; P369-V371 PolarHBondContact O-N 2.93Å; V371-S373 WeakPolarHBondContact CG1-OG 3.4Å; V371-S373 PolarHBondContact O-N 2.89Å | ||
| 372 | Q | 70.4 | Confident | 79.4 | Confident | 170 Ų | 170 | 123.1 Ų | 123.1 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -18 | 174.2 | -71.5 | -179.5 | -17.2 | 0 | 0 | 113.1 | ||
| 373 | S | 72.4 | Confident | 79.5 | Confident | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -4.8 | -175.9 | 58 | 0 | 0 | 0 | 0 | 114.9 | V371 | V371-S373 WeakPolarHBondContact CG1-OG 3.4Å; V371-S373 PolarHBondContact O-N 2.89Å |
| 374 | R | 66.2 | Low | 79.8 | Confident | 211 Ų | 211 | 124.3 Ų | 124.3 | 80% | 0.796 | 64% | 0.64 | S | S | * | * | trans | -117.3 | 57.4 | 177.6 | -69.9 | -163.8 | 176.9 | -163.9 | -0.2 | 110.8 | ||||
| 375 | E | 72 | Confident | 80.7 | Confident | 166 Ų | 166 | 126.9 Ų | 126.9 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -66.8 | 143.4 | 166.7 | -63.3 | -173.5 | 172.7 | 0 | 0 | 109.4 | ||||
| 376 | L | 76.8 | Confident | 81.5 | Confident | 110 Ų | 110 | 126 Ų | 126 | 58% | 0.576 | 64% | 0.638 | S | S | * | * | trans | -63.8 | 141.5 | 174.6 | -89.8 | 72.9 | 0 | 0 | 0 | 109.4 | Y378 L381 | L376-Y378 VanDerWaalsContact C-N 3.26Å; L376-Y378 HydrophobicContact CB-CD2 4.35Å; L376-Y378 HydrophobicContact CB-CE2 4.07Å; L376-Y378 WeakPolarHBondContact O-CD2 3.37Å; L376-Y378 PolarHBondContact O-N 3.27Å; L376-L381 HydrophobicContact CB-CD1 4.31Å; L376-L381 HydrophobicContact CD2-CD1 4.09Å | ||
| 377 | N | 83.5 | Confident | 82.3 | Confident | 85 Ų | 85 | 121.5 Ų | 121.5 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | trans | -74.9 | 79 | 173.6 | -170.9 | 3.1 | 0 | 0 | 0 | 110.4 | D379 E380 L381 | N377-D379 PolarHBondContact O-N 2.93Å; N377-E380 HydrophobicContact CB-CB 4.44Å; N377-E380 WeakPolarHBondContact ND2-CB 3.37Å; N377-E380 PolarHBondContact ND2-OE2 2.68Å; N377-E380 PolarHBondContact O-N 3.15Å; N377-L381 WeakPolarHBondContact O-CD1 3.44Å; N377-L381 PolarHBondContact O-N 2.9Å | ||
| 378 | Y | 88.1 | Confident | 82.8 | Confident | 167 Ų | 167 | 118 Ų | 118 | 66% | 0.655 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.3 | -32.6 | -176.7 | -74.9 | -81.6 | 0 | 0 | 0 | 113.1 | L376 D382 | L376-Y378 VanDerWaalsContact C-N 3.26Å; L376-Y378 HydrophobicContact CB-CD2 4.35Å; L376-Y378 HydrophobicContact CB-CE2 4.07Å; L376-Y378 WeakPolarHBondContact O-CD2 3.37Å; L376-Y378 PolarHBondContact O-N 3.27Å; Y378-D382 VanDerWaalsContact O-CB 3.23Å; Y378-D382 WeakPolarHBondContact O-CB 3.39Å; Y378-D382 PolarHBondContact O-N 3.16Å |
| 379 | D | 88 | Confident | 83.4 | Confident | 132 Ų | 132 | 118 Ų | 118 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -45.9 | -177.2 | -68.1 | -28.8 | 0 | 0 | 0 | 111.6 | N377 V383 | N377-D379 PolarHBondContact O-N 2.93Å; D379-V383 VanDerWaalsContact O-CG2 3.31Å; D379-V383 WeakPolarHBondContact O-CG2 3.31Å; D379-V383 PolarHBondContact O-N 3.41Å; D379-V383 VanDerWaalsContact O-N 3.15Å |
| 380 | E | 86.8 | Confident | 84.1 | Confident | 130 Ų | 130 | 119.5 Ų | 119.5 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -44.5 | 177.4 | -175.4 | 174.7 | -167 | 0 | 0 | 111.5 | N377 D382 V383 E384 | N377-E380 HydrophobicContact CB-CB 4.44Å; N377-E380 WeakPolarHBondContact ND2-CB 3.37Å; N377-E380 PolarHBondContact ND2-OE2 2.68Å; N377-E380 PolarHBondContact O-N 3.15Å; E380-D382 VanDerWaalsContact C-N 3.35Å; E380-D382 PolarHBondContact O-N 2.92Å; E380-V383 PolarHBondContact O-N 3.12Å; E380-E384 PolarHBondContact O-N 2.88Å |
| 381 | L | 88.6 | Confident | 84.6 | Confident | 83 Ų | 83 | 114.2 Ų | 114.2 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.2 | -39.3 | 177.5 | -76.9 | 160.6 | 0 | 0 | 0 | 112.4 | L376 N377 M385 | L376-L381 HydrophobicContact CB-CD1 4.31Å; L376-L381 HydrophobicContact CD2-CD1 4.09Å; N377-L381 WeakPolarHBondContact O-CD1 3.44Å; N377-L381 PolarHBondContact O-N 2.9Å; L381-M385 WeakPolarHBondContact O-CB 3.23Å; L381-M385 PolarHBondContact O-N 3.02Å |
| 382 | D | 91.5 | Very high | 85 | Confident | 72 Ų | 72 | 116 Ų | 116 | 39% | 0.385 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71 | -37.1 | 179.1 | -176.2 | 63.5 | 0 | 0 | 0 | 111.9 | Y378 E380 M385 K386 | Y378-D382 VanDerWaalsContact O-CB 3.23Å; Y378-D382 WeakPolarHBondContact O-CB 3.39Å; Y378-D382 PolarHBondContact O-N 3.16Å; E380-D382 VanDerWaalsContact C-N 3.35Å; E380-D382 PolarHBondContact O-N 2.92Å; D382-M385 PolarHBondContact O-N 3.17Å; D382-K386 WeakPolarHBondContact O-CB 3.48Å; D382-K386 VanDerWaalsContact O-CG 3.29Å; D382-K386 WeakPolarHBondContact O-CG 3.43Å; D382-K386 PolarHBondContact O-N 2.92Å; D382-K386 IonicContact OD1-NZ 2.9Å; D382-K386 WeakPolarHBondContact OD2-CE 3.44Å; D382-K386 IonicContact OD2-NZ 3.11Å; D382-K386 PolarHBondContact OD2-NZ 3.23Å |
| 383 | V | 91.6 | Very high | 85.9 | Confident | 101 Ų | 101 | 114.1 Ų | 114.1 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62 | -49.6 | 173.6 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | D379 E380 K386 E387 | D379-V383 VanDerWaalsContact O-CG2 3.31Å; D379-V383 WeakPolarHBondContact O-CG2 3.31Å; D379-V383 PolarHBondContact O-N 3.41Å; D379-V383 VanDerWaalsContact O-N 3.15Å; E380-V383 PolarHBondContact O-N 3.12Å; V383-K386 PolarHBondContact O-N 3.3Å; V383-E387 PolarHBondContact O-N 2.99Å |
| 384 | E | 90 | Very high | 86.4 | Confident | 109 Ų | 109 | 112.5 Ų | 112.5 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.6 | -172.8 | -177.9 | -178.4 | 0 | 0 | 111.3 | E380 K386 E387 L388 | E380-E384 PolarHBondContact O-N 2.88Å; E384-K386 VanDerWaalsContact C-N 3.34Å; E384-K386 PolarHBondContact O-N 3.05Å; E384-E387 WeakPolarHBondContact O-CB 3.5Å; E384-E387 PolarHBondContact O-N 3Å; E384-L388 HydrophobicContact CG-CD1 4.33Å; E384-L388 PolarHBondContact O-N 2.87Å |
| 385 | M | 91.1 | Very high | 86.9 | Confident | 100 Ų | 100 | 106.3 Ų | 106.3 | 49% | 0.493 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 178.1 | -177.7 | 61.7 | 66.2 | 0 | 0 | 112.2 | L381 D382 L388 Q389 | L381-M385 WeakPolarHBondContact O-CB 3.23Å; L381-M385 PolarHBondContact O-N 3.02Å; D382-M385 PolarHBondContact O-N 3.17Å; M385-L388 CarbonylContact O-C 3.57Å; M385-L388 VanDerWaalsContact O-CA 3.31Å; M385-L388 WeakPolarHBondContact O-CA 3.4Å; M385-L388 PolarHBondContact O-N 3.1Å; M385-Q389 WeakPolarHBondContact O-CG 3.07Å; M385-Q389 PolarHBondContact O-N 3.37Å; M385-Q389 HydrophobicContact SD-CG 4.47Å |
| 386 | K | 93.3 | Very high | 87 | Confident | 124 Ų | 124 | 103.8 Ų | 103.8 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 176.2 | -78.9 | 170.8 | 176.8 | 162.5 | 0 | 112 | D382 V383 E384 Q389 K390 | D382-K386 WeakPolarHBondContact O-CB 3.48Å; D382-K386 VanDerWaalsContact O-CG 3.29Å; D382-K386 WeakPolarHBondContact O-CG 3.43Å; D382-K386 PolarHBondContact O-N 2.92Å; D382-K386 IonicContact OD1-NZ 2.9Å; D382-K386 WeakPolarHBondContact OD2-CE 3.44Å; D382-K386 IonicContact OD2-NZ 3.11Å; D382-K386 PolarHBondContact OD2-NZ 3.23Å; V383-K386 PolarHBondContact O-N 3.3Å; E384-K386 VanDerWaalsContact C-N 3.34Å; E384-K386 PolarHBondContact O-N 3.05Å; K386-Q389 PolarHBondContact O-N 2.99Å; K386-K390 WeakPolarHBondContact O-CB 3.26Å; K386-K390 PolarHBondContact O-N 3.31Å |
| 387 | E | 90.8 | Very high | 86.7 | Confident | 106 Ų | 106 | 106.3 Ų | 106.3 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -51.7 | 171.9 | -163.3 | -166.8 | 145.4 | 0 | 0 | 110.3 | V383 E384 Q389 K390 I391 R514 | V383-E387 PolarHBondContact O-N 2.99Å; E384-E387 WeakPolarHBondContact O-CB 3.5Å; E384-E387 PolarHBondContact O-N 3Å; E387-Q389 PolarHBondContact O-N 2.91Å; E387-K390 WeakPolarHBondContact O-CB 3.36Å; E387-K390 PolarHBondContact O-N 3.01Å; E387-K390 VanDerWaalsContact O-N 3.12Å; E387-I391 HydrophobicContact CG-CD1 4.29Å; E387-I391 WeakPolarHBondContact O-CD1 3.32Å; E387-I391 WeakPolarHBondContact O-CG1 3.37Å; E387-I391 PolarHBondContact O-N 3.18Å; E387-I391 VanDerWaalsContact O-N 3.12Å; E387-R514 IonicContact OE1-NH2 3.7Å; E387-R514 PolarHBondContact OE1-NH2 2.86Å |
| 388 | L | 90 | Very high | 85.5 | Confident | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -23.7 | -73.7 | 159.1 | 52 | 85.9 | 0 | 0 | 0 | 113.8 | E384 M385 K390 I391 I392 | E384-L388 HydrophobicContact CG-CD1 4.33Å; E384-L388 PolarHBondContact O-N 2.87Å; M385-L388 CarbonylContact O-C 3.57Å; M385-L388 VanDerWaalsContact O-CA 3.31Å; M385-L388 WeakPolarHBondContact O-CA 3.4Å; M385-L388 PolarHBondContact O-N 3.1Å; L388-K390 VanDerWaalsContact C-N 3.33Å; L388-K390 PolarHBondContact O-N 2.88Å; L388-I391 HydrophobicContact CB-CD1 3.82Å; L388-I391 HydrophobicContact CD2-CD1 4.41Å; L388-I391 PolarHBondContact O-N 3.25Å; L388-I392 WeakPolarHBondContact O-CG1 3.19Å; L388-I392 PolarHBondContact O-N 2.99Å |
| 389 | Q | 90.6 | Very high | 83.5 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -32.9 | -174.8 | -72 | 179.8 | 1.9 | 0 | 0 | 113 | M385 K386 E387 I392 K393 | M385-Q389 WeakPolarHBondContact O-CG 3.07Å; M385-Q389 PolarHBondContact O-N 3.37Å; M385-Q389 HydrophobicContact SD-CG 4.47Å; K386-Q389 PolarHBondContact O-N 2.99Å; E387-Q389 PolarHBondContact O-N 2.91Å; Q389-I392 PolarHBondContact O-N 2.92Å; Q389-K393 WeakPolarHBondContact O-CB 3.41Å; Q389-K393 WeakPolarHBondContact O-CG 3.44Å; Q389-K393 PolarHBondContact O-N 3.45Å |
| 390 | K | 91.4 | Very high | 81.6 | Confident | 138 Ų | 138 | 103 Ų | 103 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -47 | 175.9 | -173.4 | -174.2 | 174.5 | -171.7 | 0 | 110.4 | K386 E387 L388 I392 K393 D394 | K386-K390 WeakPolarHBondContact O-CB 3.26Å; K386-K390 PolarHBondContact O-N 3.31Å; E387-K390 WeakPolarHBondContact O-CB 3.36Å; E387-K390 PolarHBondContact O-N 3.01Å; E387-K390 VanDerWaalsContact O-N 3.12Å; L388-K390 VanDerWaalsContact C-N 3.33Å; L388-K390 PolarHBondContact O-N 2.88Å; K390-I392 PolarHBondContact O-N 2.99Å; K390-K393 PolarHBondContact O-N 3.08Å; K390-D394 WeakPolarHBondContact O-CB 3.18Å; K390-D394 VanDerWaalsContact O-CG 3.27Å; K390-D394 PolarHBondContact O-N 3.43Å |
| 391 | I | 86.8 | Confident | 79.4 | Confident | 48 Ų | 48 | 101.4 Ų | 101.4 | 25% | 0.246 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 177.5 | -58.7 | 138.1 | 0 | 0 | 0 | 110.6 | E387 L388 K393 D394 V395 R514 | E387-I391 HydrophobicContact CG-CD1 4.29Å; E387-I391 WeakPolarHBondContact O-CD1 3.32Å; E387-I391 WeakPolarHBondContact O-CG1 3.37Å; E387-I391 PolarHBondContact O-N 3.18Å; E387-I391 VanDerWaalsContact O-N 3.12Å; L388-I391 HydrophobicContact CB-CD1 3.82Å; L388-I391 HydrophobicContact CD2-CD1 4.41Å; L388-I391 PolarHBondContact O-N 3.25Å; I391-K393 VanDerWaalsContact C-N 3.34Å; I391-K393 PolarHBondContact O-N 3.04Å; I391-D394 PolarHBondContact O-N 2.92Å; I391-V395 VanDerWaalsContact O-CG2 3.3Å; I391-V395 WeakPolarHBondContact O-CG2 3.26Å; I391-V395 PolarHBondContact O-N 3.27Å; I391-R514 VanDerWaalsContact CD1-NH1 3.29Å |
| 392 | I | 85.5 | Confident | 77.1 | Confident | 105 Ų | 105 | 107.5 Ų | 107.5 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 178.9 | -65.5 | 169.4 | 0 | 0 | 0 | 111.3 | L388 Q389 K390 V395 N396 | L388-I392 WeakPolarHBondContact O-CG1 3.19Å; L388-I392 PolarHBondContact O-N 2.99Å; Q389-I392 PolarHBondContact O-N 2.92Å; K390-I392 PolarHBondContact O-N 2.99Å; I392-V395 PolarHBondContact O-N 3.37Å; I392-N396 PolarHBondContact O-N 3.02Å |
| 393 | K | 88 | Confident | 74.6 | Confident | 131 Ų | 131 | 107.1 Ų | 107.1 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66 | -40 | 178.1 | -74.8 | 177.9 | -177.7 | 176 | 0 | 112.2 | Q389 K390 I391 N396 K397 | Q389-K393 WeakPolarHBondContact O-CB 3.41Å; Q389-K393 WeakPolarHBondContact O-CG 3.44Å; Q389-K393 PolarHBondContact O-N 3.45Å; K390-K393 PolarHBondContact O-N 3.08Å; I391-K393 VanDerWaalsContact C-N 3.34Å; I391-K393 PolarHBondContact O-N 3.04Å; K393-N396 PolarHBondContact O-N 3.28Å; K393-K397 WeakPolarHBondContact O-CG 3.43Å; K393-K397 PolarHBondContact O-N 3.32Å; K393-K397 VanDerWaalsContact O-N 3.11Å |
| 394 | D | 83.9 | Confident | 72 | Confident | 72 Ų | 72 | 108.9 Ų | 108.9 | 39% | 0.385 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.1 | -35.4 | 180 | -69 | -18.3 | 0 | 0 | 0 | 111.8 | K390 I391 K397 S398 | K390-D394 WeakPolarHBondContact O-CB 3.18Å; K390-D394 VanDerWaalsContact O-CG 3.27Å; K390-D394 PolarHBondContact O-N 3.43Å; I391-D394 PolarHBondContact O-N 2.92Å; D394-K397 IonicContact OD1-NZ 3.4Å; D394-S398 PolarHBondContact O-OG 3.07Å; D394-S398 VanDerWaalsContact O-OG 3.08Å |
| 395 | V | 76.7 | Confident | 69.4 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.3 | -43 | 171 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I391 I392 S398 | I391-V395 VanDerWaalsContact O-CG2 3.3Å; I391-V395 WeakPolarHBondContact O-CG2 3.26Å; I391-V395 PolarHBondContact O-N 3.27Å; I392-V395 PolarHBondContact O-N 3.37Å; V395-S398 PolarHBondContact O-N 2.74Å |
| 396 | N | 73.8 | Confident | 67.1 | Low | 113 Ų | 113 | 110 Ų | 110 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -75.3 | -28.4 | -177.6 | -81.6 | -18 | 0 | 0 | 0 | 114.9 | I392 K393 S398 Q399 | I392-N396 PolarHBondContact O-N 3.02Å; K393-N396 PolarHBondContact O-N 3.28Å; N396-S398 PolarHBondContact O-N 2.84Å; N396-Q399 WeakPolarHBondContact O-CG 3.35Å |
| 397 | K | 71 | Confident | 64.8 | Low | 162 Ų | 162 | 114.7 Ų | 114.7 | 70% | 0.704 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.5 | -24.9 | 174 | -73.8 | 175.4 | -174.3 | 168.8 | 0 | 112.3 | K393 D394 Q399 | K393-K397 WeakPolarHBondContact O-CG 3.43Å; K393-K397 PolarHBondContact O-N 3.32Å; K393-K397 VanDerWaalsContact O-N 3.11Å; D394-K397 IonicContact OD1-NZ 3.4Å; K397-Q399 PolarHBondContact O-N 3.5Å |
| 398 | S | 57.5 | Low | 63 | Low | 50 Ų | 50 | 113.7 Ų | 113.7 | 35% | 0.35 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -84.2 | 56.1 | 176.6 | -47.6 | 0 | 0 | 0 | 0 | 109.8 | D394 V395 N396 G400 | D394-S398 PolarHBondContact O-OG 3.07Å; D394-S398 VanDerWaalsContact O-OG 3.08Å; V395-S398 PolarHBondContact O-N 2.74Å; N396-S398 PolarHBondContact O-N 2.84Å; S398-G400 PolarHBondContact O-N 2.87Å |
| 399 | Q | 47 | Very low | 61.7 | Low | 185 Ų | 185 | 114.2 Ų | 114.2 | 86% | 0.864 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 108.3 | 176.8 | -73.8 | -169.9 | -8.2 | 0 | 0 | 109.8 | N396 K397 | N396-Q399 WeakPolarHBondContact O-CG 3.35Å; K397-Q399 PolarHBondContact O-N 3.5Å |
| 400 | G | 47.5 | Very low | 61.3 | Low | 81 Ų | 81 | 110.2 Ų | 110.2 | 84% | 0.835 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.6 | -10.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | S398 | S398-G400 PolarHBondContact O-N 2.87Š|
| 401 | V | 39.9 | Very low | 61.1 | Low | 96 Ų | 96 | 103.8 Ų | 103.8 | 58% | 0.582 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -136.5 | 117.3 | 175.1 | -171.6 | 0 | 0 | 0 | 0 | 106.9 | M404 | V401-M404 HydrophobicContact CG1-CG 4.29Š|
| 402 | W | 42.1 | Very low | 61.3 | Low | 210 Ų | 210 | 105.3 Ų | 105.3 | 80% | 0.795 | 54% | 0.538 | S | S | * | . | trans | -41.7 | 143.3 | 169 | -81.9 | 58.2 | 0 | 0 | 0 | 109.5 | M404 | W402-M404 PolarHBondContact O-N 2.79Š| ||
| 403 | P | 37.8 | Very low | 61.6 | Low | 64 Ų | 64 | 100.8 Ų | 100.8 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | trans | -54.6 | 110.1 | -173.1 | -20.7 | 31.2 | 0 | 0 | 0 | 110.1 | T405 | P403-T405 WeakPolarHBondContact CB-OG1 3.39Å; P403-T405 PolarHBondContact O-N 3.44Å | ||
| 404 | M | 37.6 | Very low | 61.8 | Low | 139 Ų | 139 | 96.7 Ų | 96.7 | 69% | 0.685 | 50% | 0.503 | S | S | * | . | trans | -68.2 | 26.1 | 163.6 | -86.2 | -84.1 | -174.6 | 0 | 0 | 110.9 | V401 W402 E406 R407 | V401-M404 HydrophobicContact CG1-CG 4.29Å; W402-M404 PolarHBondContact O-N 2.79Å; M404-E406 VanDerWaalsContact C-N 3.33Å; M404-E406 PolarHBondContact O-N 2.77Å; M404-R407 HydrophobicContact SD-CG 4.25Å | ||
| 405 | T | 35.7 | Very low | 62.3 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 72% | 0.724 | 49% | 0.493 | S | S | * | . | trans | -67.2 | 102.7 | 163.3 | 25.3 | 0 | 0 | 0 | 0 | 106.4 | P403 | P403-T405 WeakPolarHBondContact CB-OG1 3.39Å; P403-T405 PolarHBondContact O-N 3.44Å | ||
| 406 | E | 42.8 | Very low | 63.2 | Low | 114 Ų | 114 | 95 Ų | 95 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | trans | 81 | 90.2 | -176.9 | -65.8 | 171.3 | -171.6 | 0 | 0 | 114.6 | M404 E408 R510 | M404-E406 VanDerWaalsContact C-N 3.33Å; M404-E406 PolarHBondContact O-N 2.77Å; E406-E408 HydrophobicContact CB-CB 3.81Å; E406-E408 HydrophobicContact CB-CG 3.67Å; E406-E408 HydrophobicContact CG-CB 4.46Å; E406-E408 HydrophobicContact CG-CG 3.76Å; E406-E408 PolarHBondContact O-N 3.4Å; E406-R510 IonicContact OE2-NH1 3.79Å; E406-R510 IonicContact OE2-NH2 2.78Å; E406-R510 PolarHBondContact OE2-NH2 2.8Å | ||
| 407 | R | 44.5 | Very low | 64.2 | Low | 222 Ų | 222 | 91.2 Ų | 91.2 | 84% | 0.838 | 48% | 0.476 | S | S | * | . | trans | -60.6 | 53.7 | 132.4 | -77.5 | -173.9 | 178 | 178.4 | -1.3 | 109.2 | M404 D409 | M404-R407 HydrophobicContact SD-CG 4.25Å; R407-D409 PolarHBondContact O-N 3.48Å | ||
| 408 | E | 52.5 | Low | 65.2 | Low | 86 Ų | 86 | 84.9 Ų | 84.9 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | trans | -76.8 | 117.3 | 161.2 | -85.3 | -173.7 | 164.1 | 0 | 0 | 105.1 | E406 D410 R510 | E406-E408 HydrophobicContact CB-CB 3.81Å; E406-E408 HydrophobicContact CB-CG 3.67Å; E406-E408 HydrophobicContact CG-CB 4.46Å; E406-E408 HydrophobicContact CG-CG 3.76Å; E406-E408 PolarHBondContact O-N 3.4Å; E408-D410 PolarHBondContact O-N 3.49Å; E408-R510 IonicContact OE2-CZ 2.68Å; E408-R510 IonicContact OE2-NH1 3.26Å; E408-R510 PolarHBondContact OE2-NH1 2.97Å; E408-R510 IonicContact OE2-NH2 3.73Å; E408-R510 PolarHBondContact OE2-NH2 3.04Å | ||
| 409 | D | 63 | Low | 66.5 | Low | 88 Ų | 88 | 88.6 Ų | 88.6 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | trans | -64.3 | 66 | 167.1 | -58.5 | -45.8 | 0 | 0 | 0 | 108.8 | R407 L411 R449 | R407-D409 PolarHBondContact O-N 3.48Å; D409-L411 PolarHBondContact O-N 3.35Å; D409-R449 WeakPolarHBondContact O-CD 3.49Å; D409-R449 IonicContact OD2-CZ 3.53Å; D409-R449 IonicContact OD2-NH1 3.83Å; D409-R449 IonicContact OD2-NH2 2.63Å; D409-R449 PolarHBondContact OD2-NH2 3.43Å | ||
| 410 | D | 81.5 | Confident | 68.4 | Low | 10 Ų | 10 | 85.8 Ų | 85.8 | 5% | 0.053 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -54.8 | -39.8 | 179.1 | -77.1 | -19.7 | 0 | 0 | 0 | 110.2 | E408 N448 R449 V450 Y508 R510 | E408-D410 PolarHBondContact O-N 3.49Å; D410-N448 CarbonylContact O-C 3.57Å; D410-N448 WeakPolarHBondContact O-CA 3.43Å; D410-N448 WeakPolarHBondContact O-CB 3.22Å; D410-R449 PolarHBondContact O-N 3Å; D410-V450 HydrophobicContact CB-CG2 4.05Å; D410-Y508 HydrophobicContact CB-CE2 4.36Å; D410-R510 VanDerWaalsContact CG-NH1 3.26Å; D410-R510 IonicContact OD1-CZ 3.77Å; D410-R510 IonicContact OD1-NH1 3.87Å; D410-R510 PolarHBondContact OD1-NH1 3.03Å; D410-R510 WeakPolarHBondContact OD2-CD 3.44Å; D410-R510 IonicContact OD2-CZ 3.13Å; D410-R510 IonicContact OD2-NE 2.94Å; D410-R510 IonicContact OD2-NH1 2.87Å; D410-R510 PolarHBondContact OD2-NH1 2.56Å |
| 411 | L | 88.2 | Confident | 70.3 | Confident | 3 Ų | 3 | 86 Ų | 86 | 2% | 0.016 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 122.9 | 178.3 | -176.1 | 68.3 | 0 | 0 | 0 | 109 | D409 V413 L446 Q447 N448 L452 M477 V506 Y508 I523 | D409-L411 PolarHBondContact O-N 3.35Å; L411-V413 HydrophobicContact CD2-CG2 4.15Å; L411-V413 HydrophobicContact CG-CG2 4.16Å; L411-L446 HydrophobicContact CD1-CB 4.15Å; L411-Q447 CarbonylContact C-O 3.46Å; L411-Q447 WeakPolarHBondContact CA-O 3.16Å; L411-N448 HydrophobicContact CD1-CB 3.87Å; L411-L452 HydrophobicContact CB-CD1 3.93Å; L411-L452 HydrophobicContact CD1-CD1 4.09Å; L411-L452 HydrophobicContact CD2-CD1 4.49Å; L411-L452 HydrophobicContact CG-CD1 4.4Å; L411-M477 HydrophobicContact CD1-CE 4.21Å; L411-V506 HydrophobicContact CD2-CB 4.01Å; L411-V506 HydrophobicContact CD2-CG1 3.61Å; L411-Y508 HydrophobicContact CB-CE1 3.93Å; L411-Y508 HydrophobicContact CD2-CD1 3.6Å; L411-Y508 HydrophobicContact CD2-CE1 3.66Å; L411-Y508 HydrophobicContact CD2-CG 4.46Å; L411-Y508 HydrophobicContact CG-CE1 4.44Å; L411-I523 HydrophobicContact CD2-CG2 3.87Å; L411-I523 HydrophobicContact CG-CG2 4.46Å; L411-I523 WeakPolarHBondContact O-CD1 3.47Å |
| 412 | N | 90.7 | Very high | 72.4 | Confident | 81 Ų | 81 | 83 Ų | 83 | 43% | 0.433 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.9 | 168 | -170.7 | 5.7 | 0 | 0 | 0 | 109.6 | L446 Q447 | N412-L446 WeakPolarHBondContact O-CA 3.47Å; N412-Q447 HydrophobicContact CB-CB 4.42Å; N412-Q447 PolarHBondContact N-O 3.43Å; N412-Q447 PolarHBondContact O-N 2.7Å |
| 413 | V | 92.1 | Very high | 74.4 | Confident | 9 Ų | 9 | 79.1 Ų | 79.1 | 6% | 0.055 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.7 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | L411 V444 L446 V506 I523 C525 | L411-V413 HydrophobicContact CD2-CG2 4.15Å; L411-V413 HydrophobicContact CG-CG2 4.16Å; V413-V444 HydrophobicContact CG1-CG1 3.86Å; V413-L446 HydrophobicContact CB-CD2 4.21Å; V413-L446 HydrophobicContact CG1-CD2 3.87Å; V413-L446 HydrophobicContact CG2-CD2 3.66Å; V413-V506 HydrophobicContact CG1-CG2 4.37Å; V413-V506 HydrophobicContact CG2-CB 4.43Å; V413-V506 HydrophobicContact CG2-CG2 3.81Å; V413-I523 HydrophobicContact CG2-CD1 4.4Å; V413-I523 HydrophobicContact CG2-CG2 3.53Å; V413-C525 HydrophobicContact CB-CB 4.1Å; V413-C525 HydrophobicContact CG1-CB 3.75Å; V413-C525 PolarHBondContact O-SG 3.43Å |
| 414 | S | 93.2 | Very high | 76.6 | Confident | 46 Ų | 46 | 80.9 Ų | 80.9 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.3 | 175.3 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | V444 T445 | S414-V444 WeakPolarHBondContact O-CA 3.35Å; S414-T445 PolarHBondContact N-O 3.48Å; S414-T445 PolarHBondContact O-N 3.4Å; S414-T445 PolarHBondContact OG-O 2.89Å |
| 415 | V | 94.4 | Very high | 78.9 | Confident | 29 Ų | 29 | 76.3 Ų | 76.3 | 18% | 0.176 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.4 | -179.5 | -171.7 | 0 | 0 | 0 | 0 | 109.3 | V442 K443 V444 A504 C525 F527 | V415-V442 HydrophobicContact CG1-CG1 3.34Å; V415-K443 CarbonylContact C-O 3.57Å; V415-K443 WeakPolarHBondContact CA-O 3.36Å; V415-V444 HydrophobicContact CB-CG2 4.48Å; V415-V444 HydrophobicContact CG1-CG2 4Å; V415-V444 HydrophobicContact CG2-CG1 4.27Å; V415-V444 HydrophobicContact CG2-CG2 3.94Å; V415-A504 HydrophobicContact CG2-CB 4.11Å; V415-C525 HydrophobicContact CG2-CB 4.15Å; V415-F527 HydrophobicContact CB-CB 3.95Å; V415-F527 HydrophobicContact CB-CD1 4.22Å; V415-F527 HydrophobicContact CB-CG 4.34Å; V415-F527 HydrophobicContact CG1-CB 3.63Å; V415-F527 HydrophobicContact CG1-CD1 3.66Å; V415-F527 HydrophobicContact CG1-CD2 4.36Å; V415-F527 HydrophobicContact CG1-CE1 4.38Å; V415-F527 HydrophobicContact CG1-CG 3.63Å; V415-F527 HydrophobicContact CG2-CD1 4.14Å |
| 416 | V | 94.9 | Very high | 81.3 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 53% | 0.533 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114.9 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | K443 | V416-K443 PolarHBondContact N-O 3Å; V416-K443 PolarHBondContact O-N 2.98Å |
| 417 | V | 94.7 | Very high | 83.2 | Confident | 35 Ų | 35 | 70.9 Ų | 70.9 | 21% | 0.212 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.5 | 174 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | V440 V442 F527 L529 | V417-V440 HydrophobicContact CG1-CG2 3.88Å; V417-V442 HydrophobicContact CG1-CG2 4.22Å; V417-V442 HydrophobicContact CG2-CG1 4.24Å; V417-V442 HydrophobicContact CG2-CG2 4.11Å; V417-F527 HydrophobicContact CG2-CB 4.12Å; V417-F527 HydrophobicContact CG2-CD2 3.92Å; V417-F527 HydrophobicContact CG2-CG 4.41Å; V417-L529 HydrophobicContact CG1-CD2 4.47Å |
| 418 | S | 92.1 | Very high | 84.9 | Confident | 29 Ų | 29 | 64.1 Ų | 64.1 | 20% | 0.203 | 38% | 0.375 | C | S | . | . | trans | -64.3 | 134.1 | -179.2 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | N420 V440 T441 | S418-N420 PolarHBondContact O-N 2.95Å; S418-V440 WeakPolarHBondContact O-CG2 3.4Å; S418-T441 WeakPolarHBondContact CB-O 3.31Å; S418-T441 PolarHBondContact N-O 3.34Å; S418-T441 PolarHBondContact OG-O 2.81Å | ||
| 419 | P | 85.2 | Confident | 85.9 | Confident | 128 Ų | 128 | 66.5 Ų | 66.5 | 83% | 0.831 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -72.1 | -19.1 | 179.9 | 27.7 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 420 | N | 86.2 | Confident | 86.5 | Confident | 126 Ų | 126 | 64.5 Ų | 64.5 | 67% | 0.674 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -108.9 | 149.8 | 178.2 | -62.3 | -34.7 | 0 | 0 | 0 | 109.9 | S418 | S418-N420 PolarHBondContact O-N 2.95Š|
| 421 | F | 86.8 | Confident | 86.1 | Confident | 86 Ų | 86 | 70 Ų | 70 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | trans | -69.4 | 158.6 | 169.5 | -60.7 | -52.3 | 0 | 0 | 0 | 111.7 | P438 S439 V440 K532 L533 | F421-P438 HydrophobicContact CD1-CB 4.11Å; F421-P438 HydrophobicContact CD2-CB 4.31Å; F421-P438 HydrophobicContact CE1-CB 4.25Å; F421-P438 HydrophobicContact CE2-CB 4.43Å; F421-P438 HydrophobicContact CG-CB 4.14Å; F421-P438 HydrophobicContact CZ-CB 4.39Å; F421-S439 WeakPolarHBondContact CA-O 3.39Å; F421-V440 HydrophobicContact CD1-CB 4.35Å; F421-K532 HydrophobicContact CE1-CB 4.5Å; F421-K532 HydrophobicContact CE2-CB 4.13Å; F421-K532 HydrophobicContact CZ-CB 3.5Å; F421-K532 WeakPolarHBondContact CZ-O 3.35Å; F421-L533 HydrophobicContact CE1-CB 4.4Å; F421-L533 HydrophobicContact CE1-CD1 4.16Å | ||
| 422 | D | 85.5 | Confident | 85 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 17% | 0.166 | 41% | 0.409 | C | S | . | . | trans | -64.1 | 134.9 | 176.1 | -55.9 | -27.8 | 0 | 0 | 0 | 109.3 | V424 S439 T441 S488 | D422-V424 WeakPolarHBondContact CB-O 3.19Å; D422-V424 PolarHBondContact O-N 3.43Å; D422-S439 WeakPolarHBondContact CB-OG 3.46Å; D422-S439 PolarHBondContact N-O 2.87Å; D422-S439 WeakPolarHBondContact OD2-CB 3.46Å; D422-S439 PolarHBondContact OD2-OG 3.22Å; D422-T441 VanDerWaalsContact CG-OG1 3.32Å; D422-T441 WeakPolarHBondContact OD1-CB 3.23Å; D422-T441 PolarHBondContact OD1-N 3Å; D422-T441 PolarHBondContact OD1-OG1 3.44Å; D422-S488 WeakPolarHBondContact OD2-CB 3.48Å; D422-S488 PolarHBondContact OD2-OG 2.81Å | ||
| 423 | S | 83.3 | Confident | 83.6 | Confident | 130 Ų | 130 | 70.7 Ų | 70.7 | 91% | 0.909 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -61.7 | -26.8 | -179.2 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 424 | V | 83.5 | Confident | 82.3 | Confident | 100 Ų | 100 | 73 Ų | 73 | 61% | 0.606 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -126 | 119.6 | 170.6 | -179.9 | 0 | 0 | 0 | 0 | 106.2 | D422 Q426 | D422-V424 WeakPolarHBondContact CB-O 3.19Å; D422-V424 PolarHBondContact O-N 3.43Å; V424-Q426 PolarHBondContact O-N 2.85Å; V424-Q426 PolarHBondContact O-NE2 2.93Å |
| 425 | S | 86 | Confident | 80.5 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 30% | 0.301 | 47% | 0.473 | S | S | . | . | trans | -58.6 | 134.8 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | A427 V437 | S425-A427 VanDerWaalsContact C-N 3.32Å; S425-A427 WeakPolarHBondContact OG-CB 3.22Å; S425-A427 PolarHBondContact OG-N 3.38Å; S425-V437 VanDerWaalsContact CB-O 3.23Å; S425-V437 WeakPolarHBondContact CB-O 3.13Å; S425-V437 PolarHBondContact OG-O 3.19Å | ||
| 426 | Q | 86 | Confident | 79.5 | Confident | 93 Ų | 93 | 84.6 Ų | 84.6 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | trans | -93.8 | 9.9 | 175.3 | -56.4 | -59.2 | -60.6 | 0 | 0 | 112.4 | V424 S439 T468 | V424-Q426 PolarHBondContact O-N 2.85Å; V424-Q426 PolarHBondContact O-NE2 2.93Å; Q426-S439 PolarHBondContact N-OG 3.32Å; Q426-T468 HydrophobicContact CB-CG2 3.71Å | ||
| 427 | A | 83.5 | Confident | 79 | Confident | 25 Ų | 25 | 80.9 Ų | 80.9 | 21% | 0.207 | 48% | 0.48 | C | S | . | . | trans | -72.1 | 131.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S425 V430 V437 Y490 | S425-A427 VanDerWaalsContact C-N 3.32Å; S425-A427 WeakPolarHBondContact OG-CB 3.22Å; S425-A427 PolarHBondContact OG-N 3.38Å; A427-V430 HydrophobicContact CB-CG2 3.64Å; A427-V437 HydrophobicContact CB-CB 4.27Å; A427-V437 HydrophobicContact CB-CG1 4.26Å; A427-Y490 HydrophobicContact CB-CD1 4.24Å; A427-Y490 HydrophobicContact CB-CD2 3.42Å; A427-Y490 VanDerWaalsContact CB-CD2 3.42Å; A427-Y490 HydrophobicContact CB-CE2 3.89Å; A427-Y490 HydrophobicContact CB-CG 3.61Å | ||
| 428 | T | 80 | Confident | 78.6 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | trans | -124.4 | 146.4 | 179.8 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | V430 Y490 | T428-V430 PolarHBondContact O-N 3.34Å; T428-Y490 PolarHBondContact OG1-OH 2.96Å | ||
| 429 | D | 73.9 | Confident | 78.6 | Confident | 136 Ų | 136 | 79.2 Ų | 79.2 | 73% | 0.727 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 50.5 | 49.4 | 176.4 | -57 | -33 | 0 | 0 | 0 | 114.3 | K492 | D429-K492 WeakPolarHBondContact O-CE 3.38Š|
| 430 | V | 75 | Confident | 79 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 29% | 0.285 | 43% | 0.429 | S | S | . | . | trans | -86.6 | 128.3 | -174.2 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | A427 T428 V432 V437 Y490 | A427-V430 HydrophobicContact CB-CG2 3.64Å; T428-V430 PolarHBondContact O-N 3.34Å; V430-V432 VanDerWaalsContact C-N 3.34Å; V430-V432 HydrophobicContact CG1-CB 3.67Å; V430-V432 HydrophobicContact CG1-CG2 3.66Å; V430-V437 HydrophobicContact CB-CG2 4.38Å; V430-V437 HydrophobicContact CG1-CB 4.22Å; V430-V437 HydrophobicContact CG1-CG2 3.41Å; V430-V437 VanDerWaalsContact CG1-CG2 3.41Å; V430-Y490 HydrophobicContact CG2-CE2 4.48Å | ||
| 431 | E | 72.7 | Confident | 79.4 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 59% | 0.589 | 41% | 0.406 | S | S | * | . | trans | -87.8 | -4.7 | 176.9 | -66.6 | 174.4 | -177.6 | 0 | 0 | 112.9 | G433 K492 | E431-G433 PolarHBondContact O-N 2.95Å; E431-K492 PolarHBondContact N-O 3.47Å | ||
| 432 | V | 66.2 | Low | 79.8 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -73.3 | 119.6 | -179.7 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | V430 T434 V437 L491 L583 | V430-V432 VanDerWaalsContact C-N 3.34Å; V430-V432 HydrophobicContact CG1-CB 3.67Å; V430-V432 HydrophobicContact CG1-CG2 3.66Å; V432-T434 WeakPolarHBondContact CG1-OG1 3.4Å; V432-T434 PolarHBondContact O-N 2.87Å; V432-V437 HydrophobicContact CB-CG2 3.94Å; V432-V437 HydrophobicContact CG1-CG2 4.35Å; V432-V437 HydrophobicContact CG2-CG2 4.35Å; V432-L491 HydrophobicContact CG2-CD2 4.38Å; V432-L583 HydrophobicContact CG1-CB 4.18Å; V432-L583 HydrophobicContact CG1-CD2 4.3Å; V432-L583 WeakPolarHBondContact CG1-O 2.96Å |
| 433 | G | 61.1 | Low | 80.3 | Confident | 86 Ų | 86 | 67.6 Ų | 67.6 | 89% | 0.887 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -67.5 | 25.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | E431 | E431-G433 PolarHBondContact O-N 2.95Š|
| 434 | T | 63.5 | Low | 80.9 | Confident | 57 Ų | 57 | 61.4 Ų | 61.4 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -116.8 | 128.9 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | V432 L436 L583 | V432-T434 WeakPolarHBondContact CG1-OG1 3.4Å; V432-T434 PolarHBondContact O-N 2.87Å; T434-L436 PolarHBondContact O-N 3.13Å; T434-L583 HydrophobicContact CG2-CD2 4.48Å |
| 435 | D | 56.9 | Low | 81.4 | Confident | 171 Ų | 171 | 57.8 Ų | 57.8 | 91% | 0.914 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -61.7 | -9.7 | -171.9 | -67.6 | -28.6 | 0 | 0 | 0 | 115.6 | ||
| 436 | L | 72.7 | Confident | 81.8 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 78% | 0.78 | 32% | 0.321 | S | S | * | . | trans | -141.4 | 93.2 | -178.3 | -79.7 | 137 | 0 | 0 | 0 | 111.4 | T434 | T434-L436 PolarHBondContact O-N 3.13Š| ||
| 437 | V | 83.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | trans | -82.3 | 125.1 | 168 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | S425 A427 V430 V432 L491 | S425-V437 VanDerWaalsContact CB-O 3.23Å; S425-V437 WeakPolarHBondContact CB-O 3.13Å; S425-V437 PolarHBondContact OG-O 3.19Å; A427-V437 HydrophobicContact CB-CB 4.27Å; A427-V437 HydrophobicContact CB-CG1 4.26Å; V430-V437 HydrophobicContact CB-CG2 4.38Å; V430-V437 HydrophobicContact CG1-CB 4.22Å; V430-V437 HydrophobicContact CG1-CG2 3.41Å; V430-V437 VanDerWaalsContact CG1-CG2 3.41Å; V432-V437 HydrophobicContact CB-CG2 3.94Å; V432-V437 HydrophobicContact CG1-CG2 4.35Å; V432-V437 HydrophobicContact CG2-CG2 4.35Å; V437-L491 HydrophobicContact CG1-CB 4.31Å; V437-L491 WeakPolarHBondContact CG1-O 3.47Å | ||
| 438 | P | 87.9 | Confident | 82.4 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -73.3 | 148.6 | 179.3 | 30.7 | -34.4 | 0 | 0 | 0 | 111.5 | F421 L533 L583 | F421-P438 HydrophobicContact CD1-CB 4.11Å; F421-P438 HydrophobicContact CD2-CB 4.31Å; F421-P438 HydrophobicContact CE1-CB 4.25Å; F421-P438 HydrophobicContact CE2-CB 4.43Å; F421-P438 HydrophobicContact CG-CB 4.14Å; F421-P438 HydrophobicContact CZ-CB 4.39Å; P438-L533 WeakPolarHBondContact CG-O 3.16Å; P438-L533 WeakPolarHBondContact O-CD1 3.5Å; P438-L583 HydrophobicContact CG-CD1 4.3Å | ||
| 439 | S | 91.9 | Very high | 82.7 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 149.5 | 169.6 | 66.5 | 0 | 0 | 0 | 0 | 111 | F421 D422 Q426 V489 | F421-S439 WeakPolarHBondContact CA-O 3.39Å; D422-S439 WeakPolarHBondContact CB-OG 3.46Å; D422-S439 PolarHBondContact N-O 2.87Å; D422-S439 WeakPolarHBondContact OD2-CB 3.46Å; D422-S439 PolarHBondContact OD2-OG 3.22Å; Q426-S439 PolarHBondContact N-OG 3.32Å; S439-V489 WeakPolarHBondContact CA-O 3.19Å |
| 440 | V | 93.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.8 | 176.4 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | V417 S418 F421 V442 S488 V489 L529 P530 L533 | V417-V440 HydrophobicContact CG1-CG2 3.88Å; S418-V440 WeakPolarHBondContact O-CG2 3.4Å; F421-V440 HydrophobicContact CD1-CB 4.35Å; V440-V442 PolarHBondContact O-N 3.5Å; V440-S488 WeakPolarHBondContact O-CA 3.46Å; V440-V489 HydrophobicContact CG1-CB 4.24Å; V440-V489 PolarHBondContact N-O 3.39Å; V440-V489 PolarHBondContact O-N 2.97Å; V440-L529 HydrophobicContact CG1-CD2 4.05Å; V440-P530 HydrophobicContact CG2-CG 4.35Å; V440-L533 HydrophobicContact CB-CD1 4.14Å; V440-L533 HydrophobicContact CG1-CD1 3.82Å; V440-L533 HydrophobicContact CG1-CD2 3.85Å; V440-L533 HydrophobicContact CG1-CG 4.4Å |
| 441 | T | 94.8 | Very high | 83.9 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 18% | 0.184 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.6 | 172.6 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | S418 D422 K443 F487 S488 | S418-T441 WeakPolarHBondContact CB-O 3.31Å; S418-T441 PolarHBondContact N-O 3.34Å; S418-T441 PolarHBondContact OG-O 2.81Å; D422-T441 VanDerWaalsContact CG-OG1 3.32Å; D422-T441 WeakPolarHBondContact OD1-CB 3.23Å; D422-T441 PolarHBondContact OD1-N 3Å; D422-T441 PolarHBondContact OD1-OG1 3.44Å; T441-K443 HydrophobicContact CG2-CG 4.26Å; T441-F487 WeakPolarHBondContact CA-O 3.41Å; T441-S488 PolarHBondContact OG1-OG 3.09Å |
| 442 | V | 95.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.8 | 170.4 | -178.7 | 0 | 0 | 0 | 0 | 109 | V415 V417 V440 S486 F487 V489 F527 L529 | V415-V442 HydrophobicContact CG1-CG1 3.34Å; V417-V442 HydrophobicContact CG1-CG2 4.22Å; V417-V442 HydrophobicContact CG2-CG1 4.24Å; V417-V442 HydrophobicContact CG2-CG2 4.11Å; V440-V442 PolarHBondContact O-N 3.5Å; V442-S486 WeakPolarHBondContact O-CA 3.42Å; V442-F487 HydrophobicContact CB-CD2 4.09Å; V442-F487 HydrophobicContact CB-CE1 4.46Å; V442-F487 HydrophobicContact CB-CE2 3.52Å; V442-F487 HydrophobicContact CB-CZ 3.73Å; V442-F487 HydrophobicContact CG1-CE1 4.35Å; V442-F487 HydrophobicContact CG1-CE2 3.85Å; V442-F487 HydrophobicContact CG1-CZ 3.57Å; V442-F487 HydrophobicContact CG2-CE2 4.08Å; V442-F487 PolarHBondContact N-O 2.8Å; V442-F487 PolarHBondContact O-N 2.83Å; V442-F487 VanDerWaalsContact O-N 3.1Å; V442-V489 HydrophobicContact CG2-CG2 3.83Å; V442-F527 HydrophobicContact CG1-CD2 4.18Å; V442-F527 HydrophobicContact CG1-CE2 4.1Å; V442-F527 HydrophobicContact CG1-CZ 4.38Å; V442-F527 HydrophobicContact CG2-CD2 4.48Å; V442-F527 HydrophobicContact CG2-CE2 4.16Å; V442-L529 HydrophobicContact CG2-CD2 4.07Å |
| 443 | K | 95.6 | Very high | 85.7 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.7 | 177.9 | -57.5 | -166.8 | 176.1 | 175.8 | 0 | 110.2 | V415 V416 T441 T484 V485 S486 | V415-K443 CarbonylContact C-O 3.57Å; V415-K443 WeakPolarHBondContact CA-O 3.36Å; V416-K443 PolarHBondContact N-O 3Å; V416-K443 PolarHBondContact O-N 2.98Å; T441-K443 HydrophobicContact CG2-CG 4.26Å; K443-T484 HydrophobicContact CB-CG2 4.35Å; K443-V485 WeakPolarHBondContact CA-O 3.28Å; K443-S486 WeakPolarHBondContact CG-OG 3.3Å |
| 444 | V | 95.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.4 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | V413 S414 V415 L446 L457 T484 V485 F487 A504 | V413-V444 HydrophobicContact CG1-CG1 3.86Å; S414-V444 WeakPolarHBondContact O-CA 3.35Å; V415-V444 HydrophobicContact CB-CG2 4.48Å; V415-V444 HydrophobicContact CG1-CG2 4Å; V415-V444 HydrophobicContact CG2-CG1 4.27Å; V415-V444 HydrophobicContact CG2-CG2 3.94Å; V444-L446 HydrophobicContact CG1-CD2 4.02Å; V444-L457 HydrophobicContact CB-CD2 4.02Å; V444-L457 HydrophobicContact CG1-CD1 4.22Å; V444-L457 HydrophobicContact CG1-CD2 3.78Å; V444-T484 CarbonylContact O-C 3.38Å; V444-T484 VanDerWaalsContact O-CA 3.3Å; V444-T484 WeakPolarHBondContact O-CA 3.47Å; V444-V485 HydrophobicContact CB-CG2 3.85Å; V444-V485 PolarHBondContact N-O 2.85Å; V444-V485 PolarHBondContact O-N 2.98Å; V444-F487 HydrophobicContact CG2-CE1 3.52Å; V444-F487 HydrophobicContact CG2-CZ 3.91Å; V444-A504 HydrophobicContact CG1-CB 4.47Å; V444-A504 HydrophobicContact CG2-CB 4.29Å |
| 445 | T | 94.9 | Very high | 88.5 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.4 | 179.3 | -56 | 0 | 0 | 0 | 0 | 109.6 | S414 Q447 T482 R483 T484 | S414-T445 PolarHBondContact N-O 3.48Å; S414-T445 PolarHBondContact O-N 3.4Å; S414-T445 PolarHBondContact OG-O 2.89Å; T445-Q447 HydrophobicContact CG2-CG 4.2Å; T445-T482 HydrophobicContact CG2-CG2 3.41Å; T445-T482 VanDerWaalsContact CG2-CG2 3.41Å; T445-R483 WeakPolarHBondContact CA-O 3.21Å; T445-T484 PolarHBondContact OG1-OG1 2.84Å |
| 446 | L | 92.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.5 | 178 | -55.7 | -176.1 | 0 | 0 | 0 | 108.6 | L411 N412 V413 V444 L457 F474 T482 R483 V506 | L411-L446 HydrophobicContact CD1-CB 4.15Å; N412-L446 WeakPolarHBondContact O-CA 3.47Å; V413-L446 HydrophobicContact CB-CD2 4.21Å; V413-L446 HydrophobicContact CG1-CD2 3.87Å; V413-L446 HydrophobicContact CG2-CD2 3.66Å; V444-L446 HydrophobicContact CG1-CD2 4.02Å; L446-L457 HydrophobicContact CD1-CB 4.44Å; L446-L457 HydrophobicContact CD1-CD2 4.4Å; L446-F474 HydrophobicContact CD1-CD2 4.01Å; L446-F474 HydrophobicContact CD1-CE2 3.44Å; L446-F474 VanDerWaalsContact CD1-CE2 3.44Å; L446-F474 HydrophobicContact CD1-CZ 4.14Å; L446-T482 CarbonylContact O-C 3.55Å; L446-T482 WeakPolarHBondContact O-CA 3.12Å; L446-R483 HydrophobicContact CB-CB 4.37Å; L446-R483 PolarHBondContact N-O 2.81Å; L446-R483 PolarHBondContact O-N 3.3Å; L446-V506 HydrophobicContact CD2-CG2 3.67Å |
| 447 | Q | 92 | Very high | 91.4 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 42% | 0.416 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 112.5 | 178 | -67.1 | -176.8 | -20.9 | 0 | 0 | 109.5 | L411 N412 T445 T482 | L411-Q447 CarbonylContact C-O 3.46Å; L411-Q447 WeakPolarHBondContact CA-O 3.16Å; N412-Q447 HydrophobicContact CB-CB 4.42Å; N412-Q447 PolarHBondContact N-O 3.43Å; N412-Q447 PolarHBondContact O-N 2.7Å; T445-Q447 HydrophobicContact CG2-CG 4.2Å; Q447-T482 HydrophobicContact CG-CG2 3.92Å |
| 448 | N | 90.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.1 | -179.3 | 64.7 | -62.4 | 0 | 0 | 0 | 112.2 | D410 L411 V450 L452 M477 T478 D480 L481 | D410-N448 CarbonylContact O-C 3.57Å; D410-N448 WeakPolarHBondContact O-CA 3.43Å; D410-N448 WeakPolarHBondContact O-CB 3.22Å; L411-N448 HydrophobicContact CD1-CB 3.87Å; N448-V450 PolarHBondContact ND2-O 3.02Å; N448-L452 HydrophobicContact CB-CD1 3.62Å; N448-L452 HydrophobicContact CB-CG 4.16Å; N448-M477 PolarHBondContact ND2-O 2.93Å; N448-T478 PolarHBondContact ND2-O 3.1Å; N448-T478 PolarHBondContact OD1-O 3.02Å; N448-D480 VanDerWaalsContact O-CA 3.24Å; N448-D480 WeakPolarHBondContact O-CA 3.39Å; N448-D480 PolarHBondContact O-N 2.87Å; N448-L481 PolarHBondContact N-O 3.25Å; N448-L481 PolarHBondContact OD1-O 2.89Å |
| 449 | R | 86.9 | Confident | 92.4 | Very high | 146 Ų | 146 | 36 Ų | 36 | 55% | 0.551 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -95.1 | -24.1 | 176 | -66.4 | -174.1 | -177.2 | 161.5 | 13.2 | 113.2 | D409 D410 | D409-R449 WeakPolarHBondContact O-CD 3.49Å; D409-R449 IonicContact OD2-CZ 3.53Å; D409-R449 IonicContact OD2-NH1 3.83Å; D409-R449 IonicContact OD2-NH2 2.63Å; D409-R449 PolarHBondContact OD2-NH2 3.43Å; D410-R449 PolarHBondContact O-N 3Å |
| 450 | V | 86.7 | Confident | 92.5 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -118.5 | 166.2 | -177.3 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | D410 N448 L452 | D410-V450 HydrophobicContact CB-CG2 4.05Å; N448-V450 PolarHBondContact ND2-O 3.02Å; V450-L452 HydrophobicContact CG2-CD2 3.66Å; V450-L452 HydrophobicContact CG2-CG 4.18Å; V450-L452 PolarHBondContact O-N 2.89Å |
| 451 | I | 85.9 | Confident | 92.4 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 41% | 0.405 | 20% | 0.197 | S | C | . | . | trans | -63.4 | 123 | 170.7 | -65.5 | 164.4 | 0 | 0 | 0 | 108.3 | F476 M477 P479 P511 | I451-F476 HydrophobicContact CG1-CZ 4.47Å; I451-F476 HydrophobicContact CG2-CD2 4.4Å; I451-F476 HydrophobicContact CG2-CE1 4.18Å; I451-F476 HydrophobicContact CG2-CE2 3.46Å; I451-F476 VanDerWaalsContact CG2-CE2 3.46Å; I451-F476 HydrophobicContact CG2-CZ 3.33Å; I451-M477 WeakPolarHBondContact CA-O 3.44Å; I451-P479 HydrophobicContact CG1-CG 3.7Å; I451-P511 WeakPolarHBondContact O-CD 3.43Å | ||
| 452 | L | 88.9 | Confident | 92.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.2 | 175.1 | -62 | -177.6 | 0 | 0 | 0 | 110 | L411 N448 V450 M477 Y508 R510 | L411-L452 HydrophobicContact CB-CD1 3.93Å; L411-L452 HydrophobicContact CD1-CD1 4.09Å; L411-L452 HydrophobicContact CD2-CD1 4.49Å; L411-L452 HydrophobicContact CG-CD1 4.4Å; N448-L452 HydrophobicContact CB-CD1 3.62Å; N448-L452 HydrophobicContact CB-CG 4.16Å; V450-L452 HydrophobicContact CG2-CD2 3.66Å; V450-L452 HydrophobicContact CG2-CG 4.18Å; V450-L452 PolarHBondContact O-N 2.89Å; L452-M477 HydrophobicContact CB-CB 4.41Å; L452-M477 HydrophobicContact CB-CE 3.77Å; L452-M477 HydrophobicContact CD1-CE 3.77Å; L452-M477 HydrophobicContact CG-CE 4.37Å; L452-M477 PolarHBondContact N-O 2.71Å; L452-M477 PolarHBondContact O-N 3.32Å; L452-Y508 HydrophobicContact CD1-CD2 3.9Å; L452-Y508 HydrophobicContact CD1-CE2 4.16Å; L452-Y508 HydrophobicContact CD1-CG 4.15Å; L452-Y508 HydrophobicContact CD2-CD2 3.55Å; L452-Y508 HydrophobicContact CD2-CE2 3.81Å; L452-Y508 HydrophobicContact CD2-CG 4.48Å; L452-Y508 HydrophobicContact CG-CD2 4.24Å; L452-R510 HydrophobicContact CD2-CB 4.4Å |
| 453 | Q | 89.7 | Confident | 91.8 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 23% | 0.229 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 153 | 178.3 | -62.6 | -177.3 | -8.4 | 0 | 0 | 110.4 | A455 E475 F476 S509 P511 | Q453-A455 PolarHBondContact O-N 3.42Å; Q453-E475 CarbonylContact C-O 3.54Å; Q453-E475 WeakPolarHBondContact CA-O 3.44Å; Q453-F476 HydrophobicContact CG-CD2 3.88Å; Q453-F476 HydrophobicContact CG-CE2 4.06Å; Q453-S509 PolarHBondContact N-O 2.76Å; Q453-S509 PolarHBondContact O-N 2.8Å; Q453-P511 HydrophobicContact CG-CG 3.78Å |
| 454 | K | 90.9 | Very high | 91.4 | Very high | 111 Ų | 111 | 41.3 Ų | 41.3 | 48% | 0.483 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 42.3 | 173.7 | -58.3 | 174.6 | -178.7 | 167.5 | 0 | 112.5 | K456 E475 | K454-K456 PolarHBondContact O-N 3.34Å; K454-E475 PolarHBondContact N-O 2.86Å |
| 455 | A | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 117.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q453 F474 M477 S507 | Q453-A455 PolarHBondContact O-N 3.42Å; A455-F474 HydrophobicContact CB-CB 4.29Å; A455-F474 HydrophobicContact CB-CD2 4.42Å; A455-F474 PolarHBondContact N-O 3.42Å; A455-F474 WeakPolarHBondContact O-CD2 3.29Å; A455-F474 PolarHBondContact O-N 2.59Å; A455-M477 HydrophobicContact CB-CE 3.32Å; A455-M477 HydrophobicContact CB-SD 4.06Å; A455-S507 CarbonylContact C-O 3.56Å; A455-S507 VanDerWaalsContact CA-O 3.28Å; A455-S507 WeakPolarHBondContact CA-O 3.47Å |
| 456 | K | 95.2 | Very high | 91.1 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 113.3 | 179.6 | -178.4 | -179.2 | -179.5 | 176.5 | 0 | 109.1 | K454 F472 V506 S507 | K454-K456 PolarHBondContact O-N 3.34Å; K456-F472 WeakPolarHBondContact CA-O 3.29Å; K456-V506 CarbonylContact O-C 3.59Å; K456-V506 VanDerWaalsContact O-CA 3.31Å; K456-V506 WeakPolarHBondContact O-CA 3.16Å; K456-S507 PolarHBondContact N-O 3.39Å; K456-S507 PolarHBondContact O-N 3.01Å; K456-S507 PolarHBondContact O-OG 2.77Å |
| 457 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.4 | 170.2 | 166.8 | 63.1 | 0 | 0 | 0 | 108.5 | V444 L446 V459 Q471 F472 F474 V485 A504 V505 V506 | V444-L457 HydrophobicContact CB-CD2 4.02Å; V444-L457 HydrophobicContact CG1-CD1 4.22Å; V444-L457 HydrophobicContact CG1-CD2 3.78Å; L446-L457 HydrophobicContact CD1-CB 4.44Å; L446-L457 HydrophobicContact CD1-CD2 4.4Å; L457-V459 HydrophobicContact CD1-CG2 4.13Å; L457-V459 HydrophobicContact CG-CG2 4.3Å; L457-Q471 CarbonylContact O-C 3.58Å; L457-Q471 WeakPolarHBondContact O-CA 3.42Å; L457-F472 HydrophobicContact CB-CB 4.28Å; L457-F472 HydrophobicContact CD2-CD2 3.99Å; L457-F472 HydrophobicContact CG-CD2 4.17Å; L457-F472 PolarHBondContact N-O 3.23Å; L457-F472 PolarHBondContact O-N 2.98Å; L457-F474 HydrophobicContact CB-CE2 4.34Å; L457-V485 HydrophobicContact CD2-CG2 3.34Å; L457-A504 HydrophobicContact CD1-CB 3.89Å; L457-V505 CarbonylContact C-O 3.59Å; L457-V505 WeakPolarHBondContact CA-O 3.31Å; L457-V506 HydrophobicContact CB-CG2 4.07Å; L457-V506 HydrophobicContact CD1-CG2 3.58Å; L457-V506 HydrophobicContact CG-CG2 4.36Å |
| 458 | S | 96.2 | Very high | 91.2 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.8 | 173.8 | -49.6 | 0 | 0 | 0 | 0 | 108.7 | Y460 D470 V505 | S458-Y460 WeakPolarHBondContact CB-OH 3.34Å; S458-D470 CarbonylContact C-O 3.46Å; S458-D470 WeakPolarHBondContact CA-O 3.4Å; S458-V505 PolarHBondContact N-O 2.8Å; S458-V505 PolarHBondContact O-N 2.86Å |
| 459 | V | 95.4 | Very high | 91.3 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132 | -176.8 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | L457 L467 D470 F487 N503 A504 F527 | L457-V459 HydrophobicContact CD1-CG2 4.13Å; L457-V459 HydrophobicContact CG-CG2 4.3Å; V459-L467 HydrophobicContact CB-CD1 3.77Å; V459-L467 HydrophobicContact CG1-CD1 3.67Å; V459-L467 HydrophobicContact CG1-CD2 4.32Å; V459-L467 WeakPolarHBondContact O-CD1 3.35Å; V459-D470 PolarHBondContact N-O 3.13Å; V459-F487 HydrophobicContact CB-CE1 4.38Å; V459-F487 HydrophobicContact CB-CZ 4.16Å; V459-F487 HydrophobicContact CG1-CE1 4.21Å; V459-F487 HydrophobicContact CG1-CE2 3.69Å; V459-F487 HydrophobicContact CG1-CZ 3.5Å; V459-F487 HydrophobicContact CG2-CD1 4.28Å; V459-F487 HydrophobicContact CG2-CE1 3.59Å; V459-F487 HydrophobicContact CG2-CZ 3.75Å; V459-N503 WeakPolarHBondContact CA-O 3.39Å; V459-A504 HydrophobicContact CG2-CB 4.43Å; V459-F527 HydrophobicContact CG1-CE1 4.03Å; V459-F527 HydrophobicContact CG1-CZ 3.79Å |
| 460 | Y | 93.3 | Very high | 91.5 | Very high | 133 Ų | 133 | 42.6 Ų | 42.6 | 52% | 0.522 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.5 | -179.6 | -54.2 | -84.8 | 0 | 0 | 0 | 109.4 | S458 G502 N503 V505 | S458-Y460 WeakPolarHBondContact CB-OH 3.34Å; Y460-G502 CarbonylContact O-C 3.57Å; Y460-G502 WeakPolarHBondContact O-CA 3.32Å; Y460-N503 PolarHBondContact N-O 3.33Å; Y460-N503 PolarHBondContact O-N 3.2Å; Y460-V505 HydrophobicContact CD2-CG2 3.96Å; Y460-V505 HydrophobicContact CE2-CB 4.06Å; Y460-V505 HydrophobicContact CE2-CG2 3.84Å |
| 461 | V | 92.7 | Very high | 91.9 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.7 | 171.6 | -69.9 | 0 | 0 | 0 | 0 | 108.6 | L465 L467 V489 F527 L529 | V461-L465 HydrophobicContact CB-CB 4.06Å; V461-L465 HydrophobicContact CB-CD1 4.46Å; V461-L465 HydrophobicContact CG2-CB 3.78Å; V461-L467 HydrophobicContact CB-CD2 4.46Å; V461-L467 HydrophobicContact CG1-CD2 3.75Å; V461-L467 HydrophobicContact CG1-CG 4.45Å; V461-L467 HydrophobicContact CG2-CD1 4.3Å; V461-L467 HydrophobicContact CG2-CD2 3.85Å; V461-L467 HydrophobicContact CG2-CG 3.79Å; V461-V489 HydrophobicContact CG1-CG1 4.15Å; V461-V489 HydrophobicContact CG2-CG1 4.5Å; V461-F527 HydrophobicContact CG1-CZ 4.41Å; V461-L529 HydrophobicContact CG1-CD1 4.33Å |
| 462 | Q | 89 | Confident | 92.4 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -74 | 131.4 | 179.1 | -65.8 | -57.9 | -50.9 | 0 | 0 | 110.9 | L465 P497 E499 | Q462-L465 WeakPolarHBondContact O-CB 3.43Å; Q462-L465 PolarHBondContact O-N 3.12Å; Q462-P497 HydrophobicContact CB-CB 4.44Å; Q462-E499 HydrophobicContact CG-CB 4.19Å | ||
| 463 | P | 87.1 | Confident | 92.6 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 140.3 | 168.8 | -24.7 | 33.9 | 0 | 0 | 0 | 110.8 | P497 F721 | P463-P497 WeakPolarHBondContact O-CA 3.47Å; P463-F721 HydrophobicContact CB-CE1 3.6Å; P463-F721 HydrophobicContact CB-CZ 3.54Å; P463-F721 HydrophobicContact CG-CE1 4.09Å; P463-F721 HydrophobicContact CG-CE2 4.47Å; P463-F721 HydrophobicContact CG-CZ 3.5Å; P463-F721 VanDerWaalsContact CG-CZ 3.5Å |
| 464 | P | 88.6 | Confident | 92.8 | Very high | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.9 | 25.9 | 7.6 | 33.3 | -25.7 | 0 | 0 | 0 | 114.8 | L491 K492 R493 Y495 | P464-L491 HydrophobicContact CB-CD1 4.5Å; P464-L491 HydrophobicContact CG-CD1 3.76Å; P464-K492 PolarHBondContact O-N 2.94Å; P464-R493 HydrophobicContact CB-CB 3.63Å; P464-R493 HydrophobicContact CB-CG 4.13Å; P464-R493 HydrophobicContact CG-CB 4.39Å; P464-Y495 HydrophobicContact CB-CD1 4.45Å; P464-Y495 HydrophobicContact CB-CD2 4.26Å; P464-Y495 HydrophobicContact CB-CE1 3.94Å; P464-Y495 HydrophobicContact CB-CE2 3.73Å; P464-Y495 HydrophobicContact CG-CD1 4.26Å; P464-Y495 HydrophobicContact CG-CD2 3.59Å; P464-Y495 HydrophobicContact CG-CE1 4.2Å; P464-Y495 HydrophobicContact CG-CE2 3.52Å; P464-Y495 HydrophobicContact CG-CG 3.97Å; P464-Y495 WeakPolarHBondContact CG-O 3.49Å |
| 465 | L | 92.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142.9 | 168.4 | -61.4 | 166.7 | 0 | 0 | 0 | 109.6 | V461 Q462 V489 Y490 L491 P497 L500 L529 L533 I534 | V461-L465 HydrophobicContact CB-CB 4.06Å; V461-L465 HydrophobicContact CB-CD1 4.46Å; V461-L465 HydrophobicContact CG2-CB 3.78Å; Q462-L465 WeakPolarHBondContact O-CB 3.43Å; Q462-L465 PolarHBondContact O-N 3.12Å; L465-V489 HydrophobicContact CB-CG1 4.15Å; L465-V489 HydrophobicContact CD2-CG1 4.42Å; L465-Y490 WeakPolarHBondContact CA-O 3.34Å; L465-L491 HydrophobicContact CD2-CD1 4.22Å; L465-P497 HydrophobicContact CD1-CB 4.15Å; L465-P497 HydrophobicContact CD1-CG 4.19Å; L465-P497 HydrophobicContact CG-CB 4.14Å; L465-P497 HydrophobicContact CG-CG 4.16Å; L465-L500 HydrophobicContact CD1-CD2 4.4Å; L465-L529 HydrophobicContact CD1-CD1 3.64Å; L465-L533 HydrophobicContact CD2-CD2 4.02Å; L465-I534 HydrophobicContact CD2-CG2 3.96Å |
| 466 | E | 92.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.9 | 177.7 | -167.1 | 167.6 | -152.6 | 0 | 0 | 110.5 | V489 Y490 K492 | E466-V489 WeakPolarHBondContact O-CA 3.41Å; E466-Y490 HydrophobicContact CB-CE2 4.15Å; E466-Y490 PolarHBondContact N-O 3.01Å; E466-Y490 PolarHBondContact O-N 3.14Å; E466-Y490 VanDerWaalsContact O-N 3.09Å; E466-Y490 PolarHBondContact OE2-OH 3.36Å; E466-K492 HydrophobicContact CB-CB 4.17Å; E466-K492 IonicContact OE1-NZ 3.81Å; E466-K492 PolarHBondContact OE1-NZ 2.98Å; E466-K492 WeakPolarHBondContact OE2-CB 3.3Å; E466-K492 WeakPolarHBondContact OE2-CD 3.34Å; E466-K492 VanDerWaalsContact OE2-CE 3.22Å; E466-K492 WeakPolarHBondContact OE2-CE 3.43Å; E466-K492 WeakPolarHBondContact OE2-CG 3.42Å; E466-K492 IonicContact OE2-NZ 3.58Å; E466-K492 PolarHBondContact OE2-NZ 3.37Å |
| 467 | L | 93.5 | Very high | 92 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.3 | -179.3 | -57.2 | 174.9 | 0 | 0 | 0 | 109.1 | V459 V461 C469 D470 F487 V489 | V459-L467 HydrophobicContact CB-CD1 3.77Å; V459-L467 HydrophobicContact CG1-CD1 3.67Å; V459-L467 HydrophobicContact CG1-CD2 4.32Å; V459-L467 WeakPolarHBondContact O-CD1 3.35Å; V461-L467 HydrophobicContact CB-CD2 4.46Å; V461-L467 HydrophobicContact CG1-CD2 3.75Å; V461-L467 HydrophobicContact CG1-CG 4.45Å; V461-L467 HydrophobicContact CG2-CD1 4.3Å; V461-L467 HydrophobicContact CG2-CD2 3.85Å; V461-L467 HydrophobicContact CG2-CG 3.79Å; L467-C469 PolarHBondContact O-N 2.91Å; L467-D470 HydrophobicContact CD1-CB 4.24Å; L467-F487 HydrophobicContact CD2-CD2 3.85Å; L467-F487 HydrophobicContact CD2-CE2 4Å; L467-V489 HydrophobicContact CD2-CB 4.23Å; L467-V489 HydrophobicContact CD2-CG1 4.09Å; L467-V489 HydrophobicContact CD2-CG2 3.52Å |
| 468 | T | 92.9 | Very high | 91.5 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -66.2 | -27.1 | 169.1 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | Q426 S488 Y490 | Q426-T468 HydrophobicContact CB-CG2 3.71Å; T468-S488 PolarHBondContact N-O 2.63Å; T468-S488 PolarHBondContact OG1-N 3.49Å; T468-Y490 HydrophobicContact CG2-CD1 4.45Å; T468-Y490 HydrophobicContact CG2-CE1 4.01Å |
| 469 | C | 92.1 | Very high | 91 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | trans | -153.6 | 124.4 | 176.4 | -170.7 | 0 | 0 | 0 | 0 | 108.7 | L467 Q471 F472 | L467-C469 PolarHBondContact O-N 2.91Å; C469-Q471 PolarHBondContact SG-O 3.38Å; C469-Q471 VanDerWaalsContact SG-O 3.34Å; C469-F472 HydrophobicContact CB-CE1 4.21Å; C469-F472 HydrophobicContact CB-CE2 4.43Å; C469-F472 HydrophobicContact CB-CZ 3.74Å | ||
| 470 | D | 92.1 | Very high | 90.4 | Very high | 81 Ų | 81 | 60 Ų | 60 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | trans | -94.3 | -27.4 | -176.7 | 67.3 | -35.4 | 0 | 0 | 0 | 112.5 | S458 V459 L467 | S458-D470 CarbonylContact C-O 3.46Å; S458-D470 WeakPolarHBondContact CA-O 3.4Å; V459-D470 PolarHBondContact N-O 3.13Å; L467-D470 HydrophobicContact CD1-CB 4.24Å | ||
| 471 | Q | 94.6 | Very high | 90.1 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.1 | -172.3 | -70 | 172 | 50.5 | 0 | 0 | 113.4 | L457 C469 | L457-Q471 CarbonylContact O-C 3.58Å; L457-Q471 WeakPolarHBondContact O-CA 3.42Å; C469-Q471 PolarHBondContact SG-O 3.38Å; C469-Q471 VanDerWaalsContact SG-O 3.34Å |
| 472 | F | 95.6 | Very high | 90 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126.9 | 174.9 | -55 | -91 | 0 | 0 | 0 | 109.5 | K456 L457 C469 F474 V485 F487 | K456-F472 WeakPolarHBondContact CA-O 3.29Å; L457-F472 HydrophobicContact CB-CB 4.28Å; L457-F472 HydrophobicContact CD2-CD2 3.99Å; L457-F472 HydrophobicContact CG-CD2 4.17Å; L457-F472 PolarHBondContact N-O 3.23Å; L457-F472 PolarHBondContact O-N 2.98Å; C469-F472 HydrophobicContact CB-CE1 4.21Å; C469-F472 HydrophobicContact CB-CE2 4.43Å; C469-F472 HydrophobicContact CB-CZ 3.74Å; F472-F474 HydrophobicContact CB-CE2 4.15Å; F472-F474 HydrophobicContact CB-CZ 4.04Å; F472-V485 HydrophobicContact CB-CG1 4.1Å; F472-V485 HydrophobicContact CD1-CB 3.88Å; F472-V485 HydrophobicContact CD1-CG1 3.63Å; F472-V485 HydrophobicContact CD1-CG2 4.43Å; F472-V485 HydrophobicContact CD2-CB 4.31Å; F472-V485 HydrophobicContact CD2-CG1 4.45Å; F472-V485 HydrophobicContact CD2-CG2 3.97Å; F472-V485 HydrophobicContact CE1-CB 3.89Å; F472-V485 HydrophobicContact CE1-CG1 4.14Å; F472-V485 HydrophobicContact CE1-CG2 4.48Å; F472-V485 HydrophobicContact CE2-CB 4.33Å; F472-V485 HydrophobicContact CE2-CG2 4.04Å; F472-V485 HydrophobicContact CG-CB 4.08Å; F472-V485 HydrophobicContact CG-CG1 3.8Å; F472-V485 HydrophobicContact CG-CG2 4.17Å; F472-V485 HydrophobicContact CZ-CB 4.12Å; F472-V485 HydrophobicContact CZ-CG2 4.29Å; F472-F487 AromaticContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CE1 4.5Å; F472-F487 HydrophobicContact CZ-CB 4.16Å; F472-F487 HydrophobicContact CZ-CD1 4.01Å |
| 473 | T | 94.4 | Very high | 90.2 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 52% | 0.521 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.8 | -177 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 474 | F | 92 | Very high | 90.5 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 104.7 | 175.6 | -45.5 | -79.8 | 0 | 0 | 0 | 108.8 | L446 A455 L457 F472 F476 M477 R483 V485 | L446-F474 HydrophobicContact CD1-CD2 4.01Å; L446-F474 HydrophobicContact CD1-CE2 3.44Å; L446-F474 VanDerWaalsContact CD1-CE2 3.44Å; L446-F474 HydrophobicContact CD1-CZ 4.14Å; A455-F474 HydrophobicContact CB-CB 4.29Å; A455-F474 HydrophobicContact CB-CD2 4.42Å; A455-F474 PolarHBondContact N-O 3.42Å; A455-F474 WeakPolarHBondContact O-CD2 3.29Å; A455-F474 PolarHBondContact O-N 2.59Å; L457-F474 HydrophobicContact CB-CE2 4.34Å; F472-F474 HydrophobicContact CB-CE2 4.15Å; F472-F474 HydrophobicContact CB-CZ 4.04Å; F474-F476 VanDerWaalsContact C-N 3.3Å; F474-F476 PolarHBondContact O-N 3.44Å; F474-M477 HydrophobicContact CB-CG 3.95Å; F474-M477 HydrophobicContact CB-SD 4.05Å; F474-M477 HydrophobicContact CD2-SD 4.32Å; F474-M477 HydrophobicContact CG-SD 4.24Å; F474-R483 HydrophobicContact CD1-CG 4.33Å; F474-R483 HydrophobicContact CE1-CB 4.22Å; F474-R483 HydrophobicContact CE1-CG 4.33Å; F474-R483 HydrophobicContact CZ-CB 4.42Å; F474-V485 HydrophobicContact CE1-CG1 4.24Å; F474-V485 HydrophobicContact CZ-CG1 3.59Å |
| 475 | E | 89.8 | Confident | 90.7 | Very high | 129 Ų | 129 | 64 Ų | 64 | 60% | 0.603 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | -40.1 | -178.1 | -68.7 | -57.2 | 145.7 | 0 | 0 | 112.6 | Q453 K454 | Q453-E475 CarbonylContact C-O 3.54Å; Q453-E475 WeakPolarHBondContact CA-O 3.44Å; K454-E475 PolarHBondContact N-O 2.86Å |
| 476 | F | 86.5 | Confident | 90.8 | Very high | 100 Ų | 100 | 66.3 Ų | 66.3 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 128.6 | -176.7 | -163.4 | -94.9 | 0 | 0 | 0 | 110.9 | I451 Q453 F474 T478 | I451-F476 HydrophobicContact CG1-CZ 4.47Å; I451-F476 HydrophobicContact CG2-CD2 4.4Å; I451-F476 HydrophobicContact CG2-CE1 4.18Å; I451-F476 HydrophobicContact CG2-CE2 3.46Å; I451-F476 VanDerWaalsContact CG2-CE2 3.46Å; I451-F476 HydrophobicContact CG2-CZ 3.33Å; Q453-F476 HydrophobicContact CG-CD2 3.88Å; Q453-F476 HydrophobicContact CG-CE2 4.06Å; F474-F476 VanDerWaalsContact C-N 3.3Å; F474-F476 PolarHBondContact O-N 3.44Å; F476-T478 HydrophobicContact CD1-CG2 4.17Å; F476-T478 HydrophobicContact CE1-CG2 3.84Å |
| 477 | M | 85.2 | Confident | 90.9 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 115.7 | 173.5 | -59.5 | -171.5 | -58.3 | 0 | 0 | 108.8 | L411 N448 I451 L452 A455 F474 L481 R483 | L411-M477 HydrophobicContact CD1-CE 4.21Å; N448-M477 PolarHBondContact ND2-O 2.93Å; I451-M477 WeakPolarHBondContact CA-O 3.44Å; L452-M477 HydrophobicContact CB-CB 4.41Å; L452-M477 HydrophobicContact CB-CE 3.77Å; L452-M477 HydrophobicContact CD1-CE 3.77Å; L452-M477 HydrophobicContact CG-CE 4.37Å; L452-M477 PolarHBondContact N-O 2.71Å; L452-M477 PolarHBondContact O-N 3.32Å; A455-M477 HydrophobicContact CB-CE 3.32Å; A455-M477 HydrophobicContact CB-SD 4.06Å; F474-M477 HydrophobicContact CB-CG 3.95Å; F474-M477 HydrophobicContact CB-SD 4.05Å; F474-M477 HydrophobicContact CD2-SD 4.32Å; F474-M477 HydrophobicContact CG-SD 4.24Å; M477-L481 HydrophobicContact CB-CD2 4.48Å; M477-R483 HydrophobicContact SD-CG 4.43Å |
| 478 | T | 86.2 | Confident | 91 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -68.4 | 155.7 | 174.4 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | N448 F476 L481 | N448-T478 PolarHBondContact ND2-O 3.1Å; N448-T478 PolarHBondContact OD1-O 3.02Å; F476-T478 HydrophobicContact CD1-CG2 4.17Å; F476-T478 HydrophobicContact CE1-CG2 3.84Å; T478-L481 WeakPolarHBondContact O-CB 3.34Å; T478-L481 PolarHBondContact O-N 3.39Å | ||
| 479 | P | 85.1 | Confident | 91 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 146.6 | 175.2 | -25.8 | 37.1 | 0 | 0 | 0 | 112.2 | I451 L481 | I451-P479 HydrophobicContact CG1-CG 3.7Å; P479-L481 PolarHBondContact O-N 2.99Å; P479-L481 VanDerWaalsContact O-N 3.08Å |
| 480 | D | 83.9 | Confident | 91 | Very high | 135 Ų | 135 | 57.6 Ų | 57.6 | 72% | 0.722 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 18 | 179.2 | -55.6 | -44.8 | 0 | 0 | 0 | 114.7 | N448 | N448-D480 VanDerWaalsContact O-CA 3.24Å; N448-D480 WeakPolarHBondContact O-CA 3.39Å; N448-D480 PolarHBondContact O-N 2.87Å |
| 481 | L | 87.2 | Confident | 91 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | trans | -78.9 | 137.2 | 174.9 | -171.5 | 62.3 | 0 | 0 | 0 | 109.9 | N448 M477 T478 P479 R483 | N448-L481 PolarHBondContact N-O 3.25Å; N448-L481 PolarHBondContact OD1-O 2.89Å; M477-L481 HydrophobicContact CB-CD2 4.48Å; T478-L481 WeakPolarHBondContact O-CB 3.34Å; T478-L481 PolarHBondContact O-N 3.39Å; P479-L481 PolarHBondContact O-N 2.99Å; P479-L481 VanDerWaalsContact O-N 3.08Å; L481-R483 HydrophobicContact CD2-CG 4.29Å; L481-R483 HydrophobicContact CG-CG 4.37Å | ||
| 482 | T | 90.6 | Very high | 90.7 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.9 | 169.1 | -59 | 0 | 0 | 0 | 0 | 109 | T445 L446 Q447 | T445-T482 HydrophobicContact CG2-CG2 3.41Å; T445-T482 VanDerWaalsContact CG2-CG2 3.41Å; L446-T482 CarbonylContact O-C 3.55Å; L446-T482 WeakPolarHBondContact O-CA 3.12Å; Q447-T482 HydrophobicContact CG-CG2 3.92Å |
| 483 | R | 92 | Very high | 90.1 | Very high | 114 Ų | 114 | 54.4 Ų | 54.4 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127.4 | 171.6 | -69 | -63.8 | -171.6 | -178 | -1.4 | 109.2 | T445 L446 F474 M477 L481 | T445-R483 WeakPolarHBondContact CA-O 3.21Å; L446-R483 HydrophobicContact CB-CB 4.37Å; L446-R483 PolarHBondContact N-O 2.81Å; L446-R483 PolarHBondContact O-N 3.3Å; F474-R483 HydrophobicContact CD1-CG 4.33Å; F474-R483 HydrophobicContact CE1-CB 4.22Å; F474-R483 HydrophobicContact CE1-CG 4.33Å; F474-R483 HydrophobicContact CZ-CB 4.42Å; M477-R483 HydrophobicContact SD-CG 4.43Å; L481-R483 HydrophobicContact CD2-CG 4.29Å; L481-R483 HydrophobicContact CG-CG 4.37Å |
| 484 | T | 93.2 | Very high | 89.5 | Confident | 80 Ų | 80 | 53 Ų | 53 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127 | 174.7 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | K443 V444 T445 | K443-T484 HydrophobicContact CB-CG2 4.35Å; V444-T484 CarbonylContact O-C 3.38Å; V444-T484 VanDerWaalsContact O-CA 3.3Å; V444-T484 WeakPolarHBondContact O-CA 3.47Å; T445-T484 PolarHBondContact OG1-OG1 2.84Å |
| 485 | V | 94.5 | Very high | 89 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 157.7 | 169.4 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | K443 V444 L457 F472 F474 | K443-V485 WeakPolarHBondContact CA-O 3.28Å; V444-V485 HydrophobicContact CB-CG2 3.85Å; V444-V485 PolarHBondContact N-O 2.85Å; V444-V485 PolarHBondContact O-N 2.98Å; L457-V485 HydrophobicContact CD2-CG2 3.34Å; F472-V485 HydrophobicContact CB-CG1 4.1Å; F472-V485 HydrophobicContact CD1-CB 3.88Å; F472-V485 HydrophobicContact CD1-CG1 3.63Å; F472-V485 HydrophobicContact CD1-CG2 4.43Å; F472-V485 HydrophobicContact CD2-CB 4.31Å; F472-V485 HydrophobicContact CD2-CG1 4.45Å; F472-V485 HydrophobicContact CD2-CG2 3.97Å; F472-V485 HydrophobicContact CE1-CB 3.89Å; F472-V485 HydrophobicContact CE1-CG1 4.14Å; F472-V485 HydrophobicContact CE1-CG2 4.48Å; F472-V485 HydrophobicContact CE2-CB 4.33Å; F472-V485 HydrophobicContact CE2-CG2 4.04Å; F472-V485 HydrophobicContact CG-CB 4.08Å; F472-V485 HydrophobicContact CG-CG1 3.8Å; F472-V485 HydrophobicContact CG-CG2 4.17Å; F472-V485 HydrophobicContact CZ-CB 4.12Å; F472-V485 HydrophobicContact CZ-CG2 4.29Å; F474-V485 HydrophobicContact CE1-CG1 4.24Å; F474-V485 HydrophobicContact CZ-CG1 3.59Å |
| 486 | S | 93.7 | Very high | 88.8 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 43% | 0.427 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 135.2 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | V442 K443 | V442-S486 WeakPolarHBondContact O-CA 3.42Å; K443-S486 WeakPolarHBondContact CG-OG 3.3Å |
| 487 | F | 94.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 156.9 | 172.7 | 51.3 | -89.5 | 0 | 0 | 0 | 108.1 | T441 V442 V444 V459 L467 F472 V489 F527 | T441-F487 WeakPolarHBondContact CA-O 3.41Å; V442-F487 HydrophobicContact CB-CD2 4.09Å; V442-F487 HydrophobicContact CB-CE1 4.46Å; V442-F487 HydrophobicContact CB-CE2 3.52Å; V442-F487 HydrophobicContact CB-CZ 3.73Å; V442-F487 HydrophobicContact CG1-CE1 4.35Å; V442-F487 HydrophobicContact CG1-CE2 3.85Å; V442-F487 HydrophobicContact CG1-CZ 3.57Å; V442-F487 HydrophobicContact CG2-CE2 4.08Å; V442-F487 PolarHBondContact N-O 2.8Å; V442-F487 PolarHBondContact O-N 2.83Å; V442-F487 VanDerWaalsContact O-N 3.1Å; V444-F487 HydrophobicContact CG2-CE1 3.52Å; V444-F487 HydrophobicContact CG2-CZ 3.91Å; V459-F487 HydrophobicContact CB-CE1 4.38Å; V459-F487 HydrophobicContact CB-CZ 4.16Å; V459-F487 HydrophobicContact CG1-CE1 4.21Å; V459-F487 HydrophobicContact CG1-CE2 3.69Å; V459-F487 HydrophobicContact CG1-CZ 3.5Å; V459-F487 HydrophobicContact CG2-CD1 4.28Å; V459-F487 HydrophobicContact CG2-CE1 3.59Å; V459-F487 HydrophobicContact CG2-CZ 3.75Å; L467-F487 HydrophobicContact CD2-CD2 3.85Å; L467-F487 HydrophobicContact CD2-CE2 4Å; F472-F487 AromaticContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CD1 3.78Å; F472-F487 HydrophobicContact CE2-CE1 4.5Å; F472-F487 HydrophobicContact CZ-CB 4.16Å; F472-F487 HydrophobicContact CZ-CD1 4.01Å; F487-V489 HydrophobicContact CD2-CG2 4.04Å; F487-V489 HydrophobicContact CE2-CG2 3.96Å; F487-F527 HydrophobicContact CE2-CZ 4.14Å; F487-F527 HydrophobicContact CZ-CE1 4.48Å; F487-F527 HydrophobicContact CZ-CZ 4.09Å |
| 488 | S | 94 | Very high | 89.3 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141.4 | 174.9 | -65.4 | 0 | 0 | 0 | 0 | 109.8 | D422 V440 T441 T468 | D422-S488 WeakPolarHBondContact OD2-CB 3.48Å; D422-S488 PolarHBondContact OD2-OG 2.81Å; V440-S488 WeakPolarHBondContact O-CA 3.46Å; T441-S488 PolarHBondContact OG1-OG 3.09Å; T468-S488 PolarHBondContact N-O 2.63Å; T468-S488 PolarHBondContact OG1-N 3.49Å |
| 489 | V | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135.4 | 173.7 | -166.6 | 0 | 0 | 0 | 0 | 108.8 | S439 V440 V442 V461 L465 E466 L467 F487 L529 L533 | S439-V489 WeakPolarHBondContact CA-O 3.19Å; V440-V489 HydrophobicContact CG1-CB 4.24Å; V440-V489 PolarHBondContact N-O 3.39Å; V440-V489 PolarHBondContact O-N 2.97Å; V442-V489 HydrophobicContact CG2-CG2 3.83Å; V461-V489 HydrophobicContact CG1-CG1 4.15Å; V461-V489 HydrophobicContact CG2-CG1 4.5Å; L465-V489 HydrophobicContact CB-CG1 4.15Å; L465-V489 HydrophobicContact CD2-CG1 4.42Å; E466-V489 WeakPolarHBondContact O-CA 3.41Å; L467-V489 HydrophobicContact CD2-CB 4.23Å; L467-V489 HydrophobicContact CD2-CG1 4.09Å; L467-V489 HydrophobicContact CD2-CG2 3.52Å; F487-V489 HydrophobicContact CD2-CG2 4.04Å; F487-V489 HydrophobicContact CE2-CG2 3.96Å; V489-L529 HydrophobicContact CB-CD1 4.46Å; V489-L529 HydrophobicContact CB-CD2 4.2Å; V489-L529 HydrophobicContact CG1-CD1 3.82Å; V489-L529 HydrophobicContact CG1-CD2 4.44Å; V489-L529 HydrophobicContact CG2-CD2 4.03Å; V489-L533 HydrophobicContact CB-CD2 4.48Å; V489-L533 HydrophobicContact CG1-CD2 4.34Å |
| 490 | Y | 92.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 168.6 | 177.9 | 60.7 | -89.1 | 0 | 0 | 0 | 111.1 | A427 T428 V430 L465 E466 T468 K492 | A427-Y490 HydrophobicContact CB-CD1 4.24Å; A427-Y490 HydrophobicContact CB-CD2 3.42Å; A427-Y490 VanDerWaalsContact CB-CD2 3.42Å; A427-Y490 HydrophobicContact CB-CE2 3.89Å; A427-Y490 HydrophobicContact CB-CG 3.61Å; T428-Y490 PolarHBondContact OG1-OH 2.96Å; V430-Y490 HydrophobicContact CG2-CE2 4.48Å; L465-Y490 WeakPolarHBondContact CA-O 3.34Å; E466-Y490 HydrophobicContact CB-CE2 4.15Å; E466-Y490 PolarHBondContact N-O 3.01Å; E466-Y490 PolarHBondContact O-N 3.14Å; E466-Y490 VanDerWaalsContact O-N 3.09Å; E466-Y490 PolarHBondContact OE2-OH 3.36Å; T468-Y490 HydrophobicContact CG2-CD1 4.45Å; T468-Y490 HydrophobicContact CG2-CE1 4.01Å; Y490-K492 HydrophobicContact CE2-CB 4.42Å |
| 491 | L | 91.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118 | 178.9 | -174.3 | 71.5 | 0 | 0 | 0 | 110.2 | V432 V437 P464 L465 I534 L583 | V432-L491 HydrophobicContact CG2-CD2 4.38Å; V437-L491 HydrophobicContact CG1-CB 4.31Å; V437-L491 WeakPolarHBondContact CG1-O 3.47Å; P464-L491 HydrophobicContact CB-CD1 4.5Å; P464-L491 HydrophobicContact CG-CD1 3.76Å; L465-L491 HydrophobicContact CD2-CD1 4.22Å; L491-I534 HydrophobicContact CB-CG2 4.36Å; L491-I534 HydrophobicContact CD1-CG2 4.01Å; L491-I534 HydrophobicContact CD2-CB 4.5Å; L491-I534 HydrophobicContact CD2-CG2 4.31Å; L491-I534 HydrophobicContact CG-CG2 4.47Å; L491-L583 HydrophobicContact CD2-CB 3.62Å; L491-L583 HydrophobicContact CD2-CD1 4.19Å |
| 492 | K | 88.7 | Confident | 90.4 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 19% | 0.191 | 17% | 0.17 | C | C | . | . | trans | -89.6 | -44.7 | -177.6 | -162.1 | -153.8 | -161.4 | 114.5 | 0 | 113.5 | D429 E431 P464 E466 Y490 | D429-K492 WeakPolarHBondContact O-CE 3.38Å; E431-K492 PolarHBondContact N-O 3.47Å; P464-K492 PolarHBondContact O-N 2.94Å; E466-K492 HydrophobicContact CB-CB 4.17Å; E466-K492 IonicContact OE1-NZ 3.81Å; E466-K492 PolarHBondContact OE1-NZ 2.98Å; E466-K492 WeakPolarHBondContact OE2-CB 3.3Å; E466-K492 WeakPolarHBondContact OE2-CD 3.34Å; E466-K492 VanDerWaalsContact OE2-CE 3.22Å; E466-K492 WeakPolarHBondContact OE2-CE 3.43Å; E466-K492 WeakPolarHBondContact OE2-CG 3.42Å; E466-K492 IonicContact OE2-NZ 3.58Å; E466-K492 PolarHBondContact OE2-NZ 3.37Å; Y490-K492 HydrophobicContact CE2-CB 4.42Å | ||
| 493 | R | 83.9 | Confident | 90.5 | Very high | 88 Ų | 88 | 30.9 Ų | 30.9 | 33% | 0.332 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -108.1 | 167 | -173.9 | -53.3 | -178.8 | 174.5 | 173.3 | -4.9 | 112 | P464 Y495 | P464-R493 HydrophobicContact CB-CB 3.63Å; P464-R493 HydrophobicContact CB-CG 4.13Å; P464-R493 HydrophobicContact CG-CB 4.39Å; R493-Y495 VanDerWaalsContact C-N 3.34Å; R493-Y495 HydrophobicContact CB-CD1 3.94Å; R493-Y495 HydrophobicContact CB-CE1 3.58Å; R493-Y495 HydrophobicContact CG-CE1 4.22Å; R493-Y495 PolarHBondContact O-N 3.41Å |
| 494 | S | 80.6 | Confident | 90.7 | Very high | 56 Ų | 56 | 25.5 Ų | 25.5 | 39% | 0.392 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -81.2 | 3.4 | -170.6 | 58 | 0 | 0 | 0 | 0 | 116 | G584 | S494-G584 CarbonylContact O-C 3.55Å; S494-G584 WeakPolarHBondContact O-CA 3.41Å |
| 495 | Y | 83.1 | Confident | 90.8 | Very high | 9 Ų | 9 | 23 Ų | 23 | 4% | 0.035 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -105.3 | 167 | 175.8 | 58 | -84 | 0 | 0 | 0 | 111.6 | P464 R493 F721 Q722 T725 | P464-Y495 HydrophobicContact CB-CD1 4.45Å; P464-Y495 HydrophobicContact CB-CD2 4.26Å; P464-Y495 HydrophobicContact CB-CE1 3.94Å; P464-Y495 HydrophobicContact CB-CE2 3.73Å; P464-Y495 HydrophobicContact CG-CD1 4.26Å; P464-Y495 HydrophobicContact CG-CD2 3.59Å; P464-Y495 HydrophobicContact CG-CE1 4.2Å; P464-Y495 HydrophobicContact CG-CE2 3.52Å; P464-Y495 HydrophobicContact CG-CG 3.97Å; P464-Y495 WeakPolarHBondContact CG-O 3.49Å; R493-Y495 VanDerWaalsContact C-N 3.34Å; R493-Y495 HydrophobicContact CB-CD1 3.94Å; R493-Y495 HydrophobicContact CB-CE1 3.58Å; R493-Y495 HydrophobicContact CG-CE1 4.22Å; R493-Y495 PolarHBondContact O-N 3.41Å; Y495-F721 WeakPolarHBondContact OH-CD1 3.47Å; Y495-F721 WeakPolarHBondContact OH-CE1 3.33Å; Y495-Q722 HydrophobicContact CD1-CG 3.67Å; Y495-Q722 HydrophobicContact CE1-CG 3.56Å; Y495-Q722 HydrophobicContact CG-CG 4.23Å; Y495-T725 WeakPolarHBondContact CD2-OG1 3.42Å; Y495-T725 HydrophobicContact CE2-CG2 3.94Å; Y495-T725 WeakPolarHBondContact CE2-OG1 3.36Å |
| 496 | T | 85.5 | Confident | 90.8 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | trans | -85.6 | 139.2 | -178.3 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | F582 | T496-F582 HydrophobicContact CG2-CB 3.94Å; T496-F582 HydrophobicContact CG2-CD2 3.37Å; T496-F582 HydrophobicContact CG2-CE2 3.94Å; T496-F582 HydrophobicContact CG2-CG 3.72Å | ||
| 497 | P | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -67.6 | 151.7 | 171.8 | 29.4 | -34.2 | 0 | 0 | 0 | 110.9 | Q462 P463 L465 E499 L500 I534 L611 | Q462-P497 HydrophobicContact CB-CB 4.44Å; P463-P497 WeakPolarHBondContact O-CA 3.47Å; L465-P497 HydrophobicContact CD1-CB 4.15Å; L465-P497 HydrophobicContact CD1-CG 4.19Å; L465-P497 HydrophobicContact CG-CB 4.14Å; L465-P497 HydrophobicContact CG-CG 4.16Å; P497-E499 VanDerWaalsContact C-N 3.29Å; P497-E499 PolarHBondContact O-N 2.63Å; P497-L500 HydrophobicContact CG-CD2 4.21Å; P497-I534 HydrophobicContact CG-CD1 3.88Å; P497-I534 HydrophobicContact CG-CG2 4.31Å; P497-L611 WeakPolarHBondContact O-CD1 3.34Å | ||
| 498 | S | 89.8 | Confident | 90.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -68.5 | -29.7 | 178.1 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | W610 K728 S729 | S498-W610 PolarHBondContact O-NE1 2.99Å; S498-K728 WeakPolarHBondContact OG-CD 3.31Å; S498-S729 WeakPolarHBondContact CA-OG 3.31Å |
| 499 | E | 90.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | trans | -146.2 | 151.9 | 179.5 | -58.9 | -177.8 | 126.3 | 0 | 0 | 110.1 | Q462 P497 E501 H732 | Q462-E499 HydrophobicContact CG-CB 4.19Å; P497-E499 VanDerWaalsContact C-N 3.29Å; P497-E499 PolarHBondContact O-N 2.63Å; E499-E501 VanDerWaalsContact C-N 3.29Å; E499-E501 PolarHBondContact O-N 2.96Å; E499-H732 IonicContact OE1-CE1 2.72Å; E499-H732 PolarHBondContact OE1-CE1 3.44Å; E499-H732 IonicContact OE1-ND1 3.74Å; E499-H732 PolarHBondContact OE1-ND1 3.49Å; E499-H732 IonicContact OE1-NE2 3.51Å; E499-H732 PolarHBondContact OE1-NE2 2.95Å | ||
| 500 | L | 92.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -98.8 | 44.3 | 171.9 | -72.6 | 170.6 | 0 | 0 | 0 | 110.7 | L465 P497 R528 L529 L531 I534 L611 | L465-L500 HydrophobicContact CD1-CD2 4.4Å; P497-L500 HydrophobicContact CG-CD2 4.21Å; L500-R528 CarbonylContact O-C 3.54Å; L500-R528 WeakPolarHBondContact O-CA 3.46Å; L500-L529 HydrophobicContact CB-CB 4.34Å; L500-L529 HydrophobicContact CD2-CB 4.36Å; L500-L529 PolarHBondContact O-N 2.95Å; L500-L531 HydrophobicContact CD1-CB 4.25Å; L500-L531 HydrophobicContact CD1-CD1 3.87Å; L500-I534 HydrophobicContact CD1-CD1 4.02Å; L500-I534 HydrophobicContact CD1-CG1 4.3Å; L500-I534 HydrophobicContact CD2-CD1 3.78Å; L500-I534 HydrophobicContact CD2-CG1 4.04Å; L500-I534 HydrophobicContact CD2-CG2 4.21Å; L500-I534 HydrophobicContact CG-CD1 4.11Å; L500-L611 HydrophobicContact CG-CD2 4.32Å |
| 501 | E | 91.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 27.7 Ų | 27.7 | 32% | 0.322 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.7 | 174.1 | -65.6 | -166.4 | 172.3 | 0 | 0 | 110.2 | E499 K526 F527 | E499-E501 VanDerWaalsContact C-N 3.29Å; E499-E501 PolarHBondContact O-N 2.96Å; E501-K526 IonicContact OE2-NZ 2.71Å; E501-K526 PolarHBondContact OE2-NZ 2.83Å; E501-F527 CarbonylContact C-O 3.58Å; E501-F527 WeakPolarHBondContact CA-O 3.35Å |
| 502 | G | 92.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y460 K526 F527 | Y460-G502 CarbonylContact O-C 3.57Å; Y460-G502 WeakPolarHBondContact O-CA 3.32Å; G502-K526 CarbonylContact O-C 3.59Å; G502-K526 WeakPolarHBondContact O-CA 3.15Å; G502-F527 PolarHBondContact N-O 3.19Å; G502-F527 VanDerWaalsContact O-CD1 3.3Å; G502-F527 WeakPolarHBondContact O-CD1 3.06Å; G502-F527 PolarHBondContact O-N 2.98Å |
| 503 | N | 93.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.6 | 179 | -164.7 | 11.2 | 0 | 0 | 0 | 109.9 | V459 Y460 Q524 C525 | V459-N503 WeakPolarHBondContact CA-O 3.39Å; Y460-N503 PolarHBondContact N-O 3.33Å; Y460-N503 PolarHBondContact O-N 3.2Å; N503-Q524 PolarHBondContact ND2-OE1 2.91Å; N503-C525 PolarHBondContact OD1-O 3.36Å |
| 504 | A | 94.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 111.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | V415 V444 L457 V459 Q524 C525 F527 | V415-A504 HydrophobicContact CG2-CB 4.11Å; V444-A504 HydrophobicContact CG1-CB 4.47Å; V444-A504 HydrophobicContact CG2-CB 4.29Å; L457-A504 HydrophobicContact CD1-CB 3.89Å; V459-A504 HydrophobicContact CG2-CB 4.43Å; A504-Q524 CarbonylContact O-C 3.5Å; A504-Q524 VanDerWaalsContact O-CA 3.3Å; A504-Q524 WeakPolarHBondContact O-CA 3.3Å; A504-C525 PolarHBondContact N-O 2.78Å; A504-C525 PolarHBondContact O-N 2.91Å; A504-F527 HydrophobicContact CB-CE1 4.28Å |
| 505 | V | 95.3 | Very high | 89.7 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 18% | 0.176 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.3 | -178.6 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | L457 S458 Y460 V522 I523 Q524 | L457-V505 CarbonylContact C-O 3.59Å; L457-V505 WeakPolarHBondContact CA-O 3.31Å; S458-V505 PolarHBondContact N-O 2.8Å; S458-V505 PolarHBondContact O-N 2.86Å; Y460-V505 HydrophobicContact CD2-CG2 3.96Å; Y460-V505 HydrophobicContact CE2-CB 4.06Å; Y460-V505 HydrophobicContact CE2-CG2 3.84Å; V505-V522 HydrophobicContact CG1-CG1 3.47Å; V505-V522 VanDerWaalsContact CG1-CG1 3.47Å; V505-I523 CarbonylContact C-O 3.59Å; V505-Q524 HydrophobicContact CG2-CB 4.13Å |
| 506 | V | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 115.8 | 177 | -168.6 | 0 | 0 | 0 | 0 | 109.6 | L411 V413 L446 K456 L457 Y508 V522 I523 | L411-V506 HydrophobicContact CD2-CB 4.01Å; L411-V506 HydrophobicContact CD2-CG1 3.61Å; V413-V506 HydrophobicContact CG1-CG2 4.37Å; V413-V506 HydrophobicContact CG2-CB 4.43Å; V413-V506 HydrophobicContact CG2-CG2 3.81Å; L446-V506 HydrophobicContact CD2-CG2 3.67Å; K456-V506 CarbonylContact O-C 3.59Å; K456-V506 VanDerWaalsContact O-CA 3.31Å; K456-V506 WeakPolarHBondContact O-CA 3.16Å; L457-V506 HydrophobicContact CB-CG2 4.07Å; L457-V506 HydrophobicContact CD1-CG2 3.58Å; L457-V506 HydrophobicContact CG-CG2 4.36Å; V506-Y508 HydrophobicContact CG1-CD1 4.33Å; V506-V522 CarbonylContact O-C 3.59Å; V506-V522 VanDerWaalsContact O-CA 3.32Å; V506-V522 WeakPolarHBondContact O-CA 3.35Å; V506-I523 HydrophobicContact CB-CG2 3.87Å; V506-I523 HydrophobicContact CG2-CG2 4.46Å; V506-I523 PolarHBondContact N-O 2.86Å; V506-I523 PolarHBondContact O-N 2.84Å |
| 507 | S | 94.2 | Very high | 89.6 | Confident | 46 Ų | 46 | 48 Ų | 48 | 32% | 0.322 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.5 | 169.2 | 60 | 0 | 0 | 0 | 0 | 109.9 | A455 K456 R521 | A455-S507 CarbonylContact C-O 3.56Å; A455-S507 VanDerWaalsContact CA-O 3.28Å; A455-S507 WeakPolarHBondContact CA-O 3.47Å; K456-S507 PolarHBondContact N-O 3.39Å; K456-S507 PolarHBondContact O-N 3.01Å; K456-S507 PolarHBondContact O-OG 2.77Å; S507-R521 CarbonylContact C-O 3.58Å; S507-R521 VanDerWaalsContact CA-O 3.31Å; S507-R521 WeakPolarHBondContact CA-O 3.49Å |
| 508 | Y | 92.4 | Very high | 89.2 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 161.8 | -179.9 | 57.5 | -91 | 0 | 0 | 0 | 111.1 | D410 L411 L452 V506 P520 R521 I523 | D410-Y508 HydrophobicContact CB-CE2 4.36Å; L411-Y508 HydrophobicContact CB-CE1 3.93Å; L411-Y508 HydrophobicContact CD2-CD1 3.6Å; L411-Y508 HydrophobicContact CD2-CE1 3.66Å; L411-Y508 HydrophobicContact CD2-CG 4.46Å; L411-Y508 HydrophobicContact CG-CE1 4.44Å; L452-Y508 HydrophobicContact CD1-CD2 3.9Å; L452-Y508 HydrophobicContact CD1-CE2 4.16Å; L452-Y508 HydrophobicContact CD1-CG 4.15Å; L452-Y508 HydrophobicContact CD2-CD2 3.55Å; L452-Y508 HydrophobicContact CD2-CE2 3.81Å; L452-Y508 HydrophobicContact CD2-CG 4.48Å; L452-Y508 HydrophobicContact CG-CD2 4.24Å; V506-Y508 HydrophobicContact CG1-CD1 4.33Å; Y508-P520 CarbonylContact O-C 3.51Å; Y508-P520 WeakPolarHBondContact O-CA 3.5Å; Y508-R521 HydrophobicContact CD2-CB 3.92Å; Y508-R521 HydrophobicContact CE1-CB 4.08Å; Y508-R521 HydrophobicContact CE2-CB 3.46Å; Y508-R521 VanDerWaalsContact CE2-CB 3.46Å; Y508-R521 HydrophobicContact CE2-CG 4.04Å; Y508-R521 HydrophobicContact CG-CB 4.45Å; Y508-R521 PolarHBondContact N-O 3.45Å; Y508-R521 PolarHBondContact O-N 3.1Å; Y508-I523 HydrophobicContact CE1-CB 4.46Å; Y508-I523 HydrophobicContact CE1-CG2 3.97Å |
| 509 | S | 91.3 | Very high | 89.1 | Confident | 19 Ų | 19 | 51 Ų | 51 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.3 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | Q453 P511 I519 | Q453-S509 PolarHBondContact N-O 2.76Å; Q453-S509 PolarHBondContact O-N 2.8Å; S509-P511 WeakPolarHBondContact O-CD 3.3Å; S509-I519 WeakPolarHBondContact CA-O 3.39Å |
| 510 | R | 88.6 | Confident | 89.1 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 108.1 | 172.5 | -179.8 | 173.8 | 178.8 | 172 | -1.8 | 108.5 | E406 E408 D410 L452 G518 I519 | E406-R510 IonicContact OE2-NH1 3.79Å; E406-R510 IonicContact OE2-NH2 2.78Å; E406-R510 PolarHBondContact OE2-NH2 2.8Å; E408-R510 IonicContact OE2-CZ 2.68Å; E408-R510 IonicContact OE2-NH1 3.26Å; E408-R510 PolarHBondContact OE2-NH1 2.97Å; E408-R510 IonicContact OE2-NH2 3.73Å; E408-R510 PolarHBondContact OE2-NH2 3.04Å; D410-R510 VanDerWaalsContact CG-NH1 3.26Å; D410-R510 IonicContact OD1-CZ 3.77Å; D410-R510 IonicContact OD1-NH1 3.87Å; D410-R510 PolarHBondContact OD1-NH1 3.03Å; D410-R510 WeakPolarHBondContact OD2-CD 3.44Å; D410-R510 IonicContact OD2-CZ 3.13Å; D410-R510 IonicContact OD2-NE 2.94Å; D410-R510 IonicContact OD2-NH1 2.87Å; D410-R510 PolarHBondContact OD2-NH1 2.56Å; L452-R510 HydrophobicContact CD2-CB 4.4Å; R510-G518 CarbonylContact O-C 3.58Å; R510-G518 WeakPolarHBondContact O-CA 3.31Å; R510-I519 PolarHBondContact N-O 2.82Å; R510-I519 PolarHBondContact O-N 2.97Å |
| 511 | P | 88 | Confident | 89 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 137.6 | 176.3 | -23.5 | 35.6 | 0 | 0 | 0 | 110.8 | I451 Q453 S509 | I451-P511 WeakPolarHBondContact O-CD 3.43Å; Q453-P511 HydrophobicContact CG-CG 3.78Å; S509-P511 WeakPolarHBondContact O-CD 3.3Å |
| 512 | T | 85.8 | Confident | 89.1 | Confident | 40 Ų | 40 | 59 Ų | 59 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 158.6 | 177.4 | 62.8 | 0 | 0 | 0 | 0 | 109.8 | R514 N515 I519 | T512-R514 PolarHBondContact O-N 3.45Å; T512-R514 VanDerWaalsContact O-N 3.14Å; T512-N515 PolarHBondContact N-O 3.31Å; T512-N515 VanDerWaalsContact N-O 3.13Å; T512-N515 CarbonylContact O-C 3.51Å; T512-N515 PolarHBondContact O-N 2.85Å; T512-N515 VanDerWaalsContact O-N 3.08Å; T512-N515 PolarHBondContact OG1-N 2.79Å; T512-N515 PolarHBondContact OG1-O 2.77Å; T512-I519 HydrophobicContact CG2-CD1 3.7Å; T512-I519 HydrophobicContact CG2-CG1 3.93Å |
| 513 | D | 82.5 | Confident | 89 | Confident | 176 Ų | 176 | 61.4 Ų | 61.4 | 94% | 0.941 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.8 | 179.1 | -60.8 | -29.4 | 0 | 0 | 0 | 113 | ||
| 514 | R | 81.7 | Confident | 89 | Confident | 157 Ų | 157 | 65.9 Ų | 65.9 | 59% | 0.592 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -28 | 177.9 | -66.8 | -174.5 | 180 | 165.8 | 5.2 | 114 | E387 I391 T512 | E387-R514 IonicContact OE1-NH2 3.7Å; E387-R514 PolarHBondContact OE1-NH2 2.86Å; I391-R514 VanDerWaalsContact CD1-NH1 3.29Å; T512-R514 PolarHBondContact O-N 3.45Å; T512-R514 VanDerWaalsContact O-N 3.14Å |
| 515 | N | 85.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 95.7 | 178.3 | -172.6 | 6.5 | 0 | 0 | 0 | 108.7 | T512 D517 G518 | T512-N515 PolarHBondContact N-O 3.31Å; T512-N515 VanDerWaalsContact N-O 3.13Å; T512-N515 CarbonylContact O-C 3.51Å; T512-N515 PolarHBondContact O-N 2.85Å; T512-N515 VanDerWaalsContact O-N 3.08Å; T512-N515 PolarHBondContact OG1-N 2.79Å; T512-N515 PolarHBondContact OG1-O 2.77Å; N515-D517 PolarHBondContact O-N 2.82Å; N515-D517 WeakPolarHBondContact OD1-CB 3.44Å; N515-D517 PolarHBondContact OD1-N 2.8Å; N515-G518 PolarHBondContact ND2-O 3.34Å; N515-G518 WeakPolarHBondContact O-CA 3.28Å; N515-G518 PolarHBondContact O-N 2.8Å |
| 516 | P | 85.3 | Confident | 88.8 | Confident | 97 Ų | 97 | 72.7 Ų | 72.7 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | -23.9 | 179.4 | 24.3 | -32.5 | 0 | 0 | 0 | 112.4 | G518 | P516-G518 PolarHBondContact O-N 3.36Å |
| 517 | D | 82.3 | Confident | 88.8 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -13.7 | 172 | -66.3 | -43.3 | 0 | 0 | 0 | 113 | N515 | N515-D517 PolarHBondContact O-N 2.82Å; N515-D517 WeakPolarHBondContact OD1-CB 3.44Å; N515-D517 PolarHBondContact OD1-N 2.8Å |
| 518 | G | 82.8 | Confident | 88.8 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.9 | 160.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R510 N515 P516 | R510-G518 CarbonylContact O-C 3.58Å; R510-G518 WeakPolarHBondContact O-CA 3.31Å; N515-G518 PolarHBondContact ND2-O 3.34Å; N515-G518 WeakPolarHBondContact O-CA 3.28Å; N515-G518 PolarHBondContact O-N 2.8Å; P516-G518 PolarHBondContact O-N 3.36Å |
| 519 | I | 87.3 | Confident | 88.8 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 30% | 0.297 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.1 | 176.8 | -50.2 | 176.1 | 0 | 0 | 0 | 108.5 | S509 R510 T512 R521 | S509-I519 WeakPolarHBondContact CA-O 3.39Å; R510-I519 PolarHBondContact N-O 2.82Å; R510-I519 PolarHBondContact O-N 2.97Å; T512-I519 HydrophobicContact CG2-CD1 3.7Å; T512-I519 HydrophobicContact CG2-CG1 3.93Å; I519-R521 PolarHBondContact O-N 2.96Å |
| 520 | P | 90.7 | Very high | 88.9 | Confident | 96 Ų | 96 | 76 Ų | 76 | 62% | 0.623 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 135.8 | 177.7 | 27.8 | -34 | 0 | 0 | 0 | 110.7 | Y508 | Y508-P520 CarbonylContact O-C 3.51Å; Y508-P520 WeakPolarHBondContact O-CA 3.5Å |
| 521 | R | 90.6 | Very high | 89.1 | Confident | 90 Ų | 90 | 73.1 Ų | 73.1 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.2 | 176.4 | -68.7 | -69.9 | -179.4 | -98.1 | 2.1 | 108.6 | S507 Y508 I519 | S507-R521 CarbonylContact C-O 3.58Å; S507-R521 VanDerWaalsContact CA-O 3.31Å; S507-R521 WeakPolarHBondContact CA-O 3.49Å; Y508-R521 HydrophobicContact CD2-CB 3.92Å; Y508-R521 HydrophobicContact CE1-CB 4.08Å; Y508-R521 HydrophobicContact CE2-CB 3.46Å; Y508-R521 VanDerWaalsContact CE2-CB 3.46Å; Y508-R521 HydrophobicContact CE2-CG 4.04Å; Y508-R521 HydrophobicContact CG-CB 4.45Å; Y508-R521 PolarHBondContact N-O 3.45Å; Y508-R521 PolarHBondContact O-N 3.1Å; I519-R521 PolarHBondContact O-N 2.96Å |
| 522 | V | 91.9 | Very high | 89.1 | Confident | 101 Ų | 101 | 75.2 Ų | 75.2 | 61% | 0.612 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.4 | 178.6 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | V505 V506 | V505-V522 HydrophobicContact CG1-CG1 3.47Å; V505-V522 VanDerWaalsContact CG1-CG1 3.47Å; V506-V522 CarbonylContact O-C 3.59Å; V506-V522 VanDerWaalsContact O-CA 3.32Å; V506-V522 WeakPolarHBondContact O-CA 3.35Å |
| 523 | I | 91.5 | Very high | 89.3 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.2 | 170.4 | -170 | 169.2 | 0 | 0 | 0 | 108.7 | L411 V413 V505 V506 Y508 | L411-I523 HydrophobicContact CD2-CG2 3.87Å; L411-I523 HydrophobicContact CG-CG2 4.46Å; L411-I523 WeakPolarHBondContact O-CD1 3.47Å; V413-I523 HydrophobicContact CG2-CD1 4.4Å; V413-I523 HydrophobicContact CG2-CG2 3.53Å; V505-I523 CarbonylContact C-O 3.59Å; V506-I523 HydrophobicContact CB-CG2 3.87Å; V506-I523 HydrophobicContact CG2-CG2 4.46Å; V506-I523 PolarHBondContact N-O 2.86Å; V506-I523 PolarHBondContact O-N 2.84Å; Y508-I523 HydrophobicContact CE1-CB 4.46Å; Y508-I523 HydrophobicContact CE1-CG2 3.97Å |
| 524 | Q | 91.9 | Very high | 89.7 | Confident | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.3 | 179.2 | 62.3 | 177.6 | -18.9 | 0 | 0 | 111.1 | N503 A504 V505 | N503-Q524 PolarHBondContact ND2-OE1 2.91Å; A504-Q524 CarbonylContact O-C 3.5Å; A504-Q524 VanDerWaalsContact O-CA 3.3Å; A504-Q524 WeakPolarHBondContact O-CA 3.3Å; V505-Q524 HydrophobicContact CG2-CB 4.13Å |
| 525 | C | 92.8 | Very high | 90.1 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 120.1 | 178.6 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | V413 V415 N503 A504 | V413-C525 HydrophobicContact CB-CB 4.1Å; V413-C525 HydrophobicContact CG1-CB 3.75Å; V413-C525 PolarHBondContact O-SG 3.43Å; V415-C525 HydrophobicContact CG2-CB 4.15Å; N503-C525 PolarHBondContact OD1-O 3.36Å; A504-C525 PolarHBondContact N-O 2.78Å; A504-C525 PolarHBondContact O-N 2.91Å |
| 526 | K | 93.7 | Very high | 90.2 | Very high | 140 Ų | 140 | 58.4 Ų | 58.4 | 61% | 0.609 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 145.9 | 176.6 | -67.7 | -172.7 | 169.3 | -158.7 | 0 | 111 | E501 G502 | E501-K526 IonicContact OE2-NZ 2.71Å; E501-K526 PolarHBondContact OE2-NZ 2.83Å; G502-K526 CarbonylContact O-C 3.59Å; G502-K526 WeakPolarHBondContact O-CA 3.15Å |
| 527 | F | 94 | Very high | 90.4 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.4 | 174.1 | 57.9 | -87.9 | 0 | 0 | 0 | 110.6 | V415 V417 V442 V459 V461 F487 E501 G502 A504 L529 | V415-F527 HydrophobicContact CB-CB 3.95Å; V415-F527 HydrophobicContact CB-CD1 4.22Å; V415-F527 HydrophobicContact CB-CG 4.34Å; V415-F527 HydrophobicContact CG1-CB 3.63Å; V415-F527 HydrophobicContact CG1-CD1 3.66Å; V415-F527 HydrophobicContact CG1-CD2 4.36Å; V415-F527 HydrophobicContact CG1-CE1 4.38Å; V415-F527 HydrophobicContact CG1-CG 3.63Å; V415-F527 HydrophobicContact CG2-CD1 4.14Å; V417-F527 HydrophobicContact CG2-CB 4.12Å; V417-F527 HydrophobicContact CG2-CD2 3.92Å; V417-F527 HydrophobicContact CG2-CG 4.41Å; V442-F527 HydrophobicContact CG1-CD2 4.18Å; V442-F527 HydrophobicContact CG1-CE2 4.1Å; V442-F527 HydrophobicContact CG1-CZ 4.38Å; V442-F527 HydrophobicContact CG2-CD2 4.48Å; V442-F527 HydrophobicContact CG2-CE2 4.16Å; V459-F527 HydrophobicContact CG1-CE1 4.03Å; V459-F527 HydrophobicContact CG1-CZ 3.79Å; V461-F527 HydrophobicContact CG1-CZ 4.41Å; F487-F527 HydrophobicContact CE2-CZ 4.14Å; F487-F527 HydrophobicContact CZ-CE1 4.48Å; F487-F527 HydrophobicContact CZ-CZ 4.09Å; E501-F527 CarbonylContact C-O 3.58Å; E501-F527 WeakPolarHBondContact CA-O 3.35Å; G502-F527 PolarHBondContact N-O 3.19Å; G502-F527 VanDerWaalsContact O-CD1 3.3Å; G502-F527 WeakPolarHBondContact O-CD1 3.06Å; G502-F527 PolarHBondContact O-N 2.98Å; A504-F527 HydrophobicContact CB-CE1 4.28Å; F527-L529 HydrophobicContact CD2-CD2 4.18Å; F527-L529 HydrophobicContact CD2-CG 4.46Å; F527-L529 HydrophobicContact CE2-CD2 3.96Å; F527-L529 HydrophobicContact CE2-CG 4.33Å |
| 528 | R | 94.1 | Very high | 90.5 | Very high | 97 Ų | 97 | 53 Ų | 53 | 37% | 0.366 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.8 | -179.3 | -179.9 | 174 | 163.1 | -148.7 | 0.8 | 110.7 | L500 E615 | L500-R528 CarbonylContact O-C 3.54Å; L500-R528 WeakPolarHBondContact O-CA 3.46Å; R528-E615 IonicContact CZ-OE1 3.75Å; R528-E615 IonicContact NE-OE1 3.84Å; R528-E615 PolarHBondContact NE-OE1 3.14Å; R528-E615 IonicContact NH2-OE1 2.83Å; R528-E615 PolarHBondContact NH2-OE1 2.9Å; R528-E615 IonicContact NH2-OE2 3.94Å; R528-E615 PolarHBondContact NH2-OE2 3.24Å |
| 529 | L | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 147.5 | 176.7 | -64.7 | 170.5 | 0 | 0 | 0 | 110.7 | V417 V440 V442 V461 L465 V489 L500 F527 L533 | V417-L529 HydrophobicContact CG1-CD2 4.47Å; V440-L529 HydrophobicContact CG1-CD2 4.05Å; V442-L529 HydrophobicContact CG2-CD2 4.07Å; V461-L529 HydrophobicContact CG1-CD1 4.33Å; L465-L529 HydrophobicContact CD1-CD1 3.64Å; V489-L529 HydrophobicContact CB-CD1 4.46Å; V489-L529 HydrophobicContact CB-CD2 4.2Å; V489-L529 HydrophobicContact CG1-CD1 3.82Å; V489-L529 HydrophobicContact CG1-CD2 4.44Å; V489-L529 HydrophobicContact CG2-CD2 4.03Å; L500-L529 HydrophobicContact CB-CB 4.34Å; L500-L529 HydrophobicContact CD2-CB 4.36Å; L500-L529 PolarHBondContact O-N 2.95Å; F527-L529 HydrophobicContact CD2-CD2 4.18Å; F527-L529 HydrophobicContact CD2-CG 4.46Å; F527-L529 HydrophobicContact CE2-CD2 3.96Å; F527-L529 HydrophobicContact CE2-CG 4.33Å; L529-L533 HydrophobicContact CB-CD2 4.48Å; L529-L533 HydrophobicContact CD1-CD2 4.38Å |
| 530 | P | 92.4 | Very high | 90.7 | Very high | 43 Ų | 43 | 60 Ų | 60 | 28% | 0.279 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 133.5 | -178.7 | 28 | -33.3 | 0 | 0 | 0 | 111.3 | V440 K532 L533 | V440-P530 HydrophobicContact CG2-CG 4.35Å; P530-K532 PolarHBondContact O-N 2.79Å; P530-L533 HydrophobicContact CG-CB 4.41Å; P530-L533 WeakPolarHBondContact O-CB 3.38Å; P530-L533 PolarHBondContact O-N 3.46Å |
| 531 | L | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -49.2 | -34.6 | 175 | 179.1 | 63.3 | 0 | 0 | 0 | 113.9 | L500 L533 I534 C535 F563 F566 F580 F582 I612 E615 | L500-L531 HydrophobicContact CD1-CB 4.25Å; L500-L531 HydrophobicContact CD1-CD1 3.87Å; L531-L533 PolarHBondContact O-N 2.91Å; L531-L533 VanDerWaalsContact O-N 3.12Å; L531-I534 PolarHBondContact O-N 3.4Å; L531-C535 HydrophobicContact CD1-CB 4.13Å; L531-C535 HydrophobicContact CG-CB 4.09Å; L531-C535 VanDerWaalsContact O-CB 3.25Å; L531-C535 WeakPolarHBondContact O-CB 3.48Å; L531-C535 PolarHBondContact O-N 3.4Å; L531-F563 HydrophobicContact CD2-CD1 4.37Å; L531-F563 HydrophobicContact CD2-CE1 4.01Å; L531-F566 HydrophobicContact CD2-CE2 4.04Å; L531-F566 HydrophobicContact CD2-CZ 3.99Å; L531-F566 HydrophobicContact CG-CE2 4.38Å; L531-F566 HydrophobicContact CG-CZ 3.98Å; L531-F580 HydrophobicContact CD2-CE1 4.45Å; L531-F582 HydrophobicContact CD1-CE1 4.07Å; L531-I612 HydrophobicContact CD1-CD1 4.11Å; L531-I612 HydrophobicContact CD2-CD1 3.9Å; L531-E615 HydrophobicContact CB-CG 4.16Å; L531-E615 HydrophobicContact CD1-CG 4.19Å; L531-E615 HydrophobicContact CD2-CB 4.22Å; L531-E615 HydrophobicContact CD2-CG 3.96Å; L531-E615 HydrophobicContact CG-CG 4.31Å |
| 532 | K | 90.1 | Very high | 90.3 | Very high | 87 Ų | 87 | 62.4 Ų | 62.4 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -61.5 | -18.8 | 178.9 | -62.8 | -178.7 | -179.1 | -178.1 | 0 | 113.6 | F421 P530 I534 C535 F566 | F421-K532 HydrophobicContact CE1-CB 4.5Å; F421-K532 HydrophobicContact CE2-CB 4.13Å; F421-K532 HydrophobicContact CZ-CB 3.5Å; F421-K532 WeakPolarHBondContact CZ-O 3.35Å; P530-K532 PolarHBondContact O-N 2.79Å; K532-I534 PolarHBondContact O-N 3.06Å; K532-C535 WeakPolarHBondContact CA-O 3.36Å; K532-F566 HydrophobicContact CB-CZ 4.34Å; K532-F566 HydrophobicContact CG-CE2 3.65Å; K532-F566 HydrophobicContact CG-CZ 3.67Å |
| 533 | L | 89.5 | Confident | 90 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -62.3 | -34.5 | 178.4 | -174.3 | 66.9 | 0 | 0 | 0 | 111.6 | F421 P438 V440 L465 V489 L529 P530 L531 L583 | F421-L533 HydrophobicContact CE1-CB 4.4Å; F421-L533 HydrophobicContact CE1-CD1 4.16Å; P438-L533 WeakPolarHBondContact CG-O 3.16Å; P438-L533 WeakPolarHBondContact O-CD1 3.5Å; V440-L533 HydrophobicContact CB-CD1 4.14Å; V440-L533 HydrophobicContact CG1-CD1 3.82Å; V440-L533 HydrophobicContact CG1-CD2 3.85Å; V440-L533 HydrophobicContact CG1-CG 4.4Å; L465-L533 HydrophobicContact CD2-CD2 4.02Å; V489-L533 HydrophobicContact CB-CD2 4.48Å; V489-L533 HydrophobicContact CG1-CD2 4.34Å; L529-L533 HydrophobicContact CB-CD2 4.48Å; L529-L533 HydrophobicContact CD1-CD2 4.38Å; P530-L533 HydrophobicContact CG-CB 4.41Å; P530-L533 WeakPolarHBondContact O-CB 3.38Å; P530-L533 PolarHBondContact O-N 3.46Å; L531-L533 PolarHBondContact O-N 2.91Å; L531-L533 VanDerWaalsContact O-N 3.12Å; L533-L583 WeakPolarHBondContact O-CD1 3.44Å |
| 534 | I | 89.7 | Confident | 89.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -5.4 | -176.8 | 63 | 164.4 | 0 | 0 | 0 | 113.1 | L465 L491 P497 L500 L531 K532 F582 L583 L611 | L465-I534 HydrophobicContact CD2-CG2 3.96Å; L491-I534 HydrophobicContact CB-CG2 4.36Å; L491-I534 HydrophobicContact CD1-CG2 4.01Å; L491-I534 HydrophobicContact CD2-CB 4.5Å; L491-I534 HydrophobicContact CD2-CG2 4.31Å; L491-I534 HydrophobicContact CG-CG2 4.47Å; P497-I534 HydrophobicContact CG-CD1 3.88Å; P497-I534 HydrophobicContact CG-CG2 4.31Å; L500-I534 HydrophobicContact CD1-CD1 4.02Å; L500-I534 HydrophobicContact CD1-CG1 4.3Å; L500-I534 HydrophobicContact CD2-CD1 3.78Å; L500-I534 HydrophobicContact CD2-CG1 4.04Å; L500-I534 HydrophobicContact CD2-CG2 4.21Å; L500-I534 HydrophobicContact CG-CD1 4.11Å; L531-I534 PolarHBondContact O-N 3.4Å; K532-I534 PolarHBondContact O-N 3.06Å; I534-F582 HydrophobicContact CD1-CD1 4.21Å; I534-F582 HydrophobicContact CD1-CE1 4.01Å; I534-F582 HydrophobicContact CG1-CD1 4.23Å; I534-F582 HydrophobicContact CG1-CE1 4.26Å; I534-F582 WeakPolarHBondContact O-CA 3.37Å; I534-L583 PolarHBondContact O-N 3.38Å; I534-L611 HydrophobicContact CD1-CD1 3.61Å |
| 535 | C | 90 | Very high | 89.9 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.6 | -168.1 | -166 | 0 | 0 | 0 | 0 | 112.6 | L531 K532 F566 F582 | L531-C535 HydrophobicContact CD1-CB 4.13Å; L531-C535 HydrophobicContact CG-CB 4.09Å; L531-C535 VanDerWaalsContact O-CB 3.25Å; L531-C535 WeakPolarHBondContact O-CB 3.48Å; L531-C535 PolarHBondContact O-N 3.4Å; K532-C535 WeakPolarHBondContact CA-O 3.36Å; C535-F566 HydrophobicContact CB-CE1 3.85Å; C535-F566 HydrophobicContact CB-CZ 4.01Å; C535-F566 WeakPolarHBondContact O-CE1 3.45Å; C535-F582 HydrophobicContact CB-CD1 3.65Å; C535-F582 HydrophobicContact CB-CE1 3.8Å |
| 536 | L | 88.5 | Confident | 90 | Very high | 75 Ų | 75 | 60 Ų | 60 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 158.5 | 173.6 | -61.4 | 175.9 | 0 | 0 | 0 | 110.5 | G538 H581 L583 | L536-G538 PolarHBondContact O-N 2.95Å; L536-H581 PolarHBondContact N-O 2.88Å; L536-H581 PolarHBondContact O-N 2.93Å; L536-L583 HydrophobicContact CD1-CD2 4.38Å |
| 537 | P | 88.4 | Confident | 90 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 133.8 | 168.4 | 26.9 | -33.8 | 0 | 0 | 0 | 110.4 | F566 | P537-F566 HydrophobicContact CB-CB 4.5Å; P537-F566 HydrophobicContact CB-CD1 4.44Å; P537-F566 WeakPolarHBondContact CB-O 3.48Å |
| 538 | G | 85.6 | Confident | 90 | Very high | 21 Ų | 21 | 60 Ų | 60 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 163.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L536 G579 | L536-G538 PolarHBondContact O-N 2.95Å; G538-G579 PolarHBondContact N-O 3.17Å; G538-G579 CarbonylContact O-C 3.57Å; G538-G579 VanDerWaalsContact O-CA 3.27Å; G538-G579 WeakPolarHBondContact O-CA 3.12Å |
| 539 | Q | 86.6 | Confident | 90 | Very high | 162 Ų | 162 | 56.9 Ų | 56.9 | 76% | 0.757 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 125.7 | 172 | -73.9 | -68.2 | -24.7 | 0 | 0 | 109.8 | ||
| 540 | P | 87.6 | Confident | 90 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 31% | 0.312 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 133.6 | -179.5 | 27.1 | -33.2 | 0 | 0 | 0 | 111.5 | V577 T589 | P540-V577 HydrophobicContact CB-CG1 3.56Å; P540-V577 HydrophobicContact CG-CG1 3.93Å; P540-T589 HydrophobicContact CB-CG2 3.59Å |
| 541 | S | 87.9 | Confident | 90.1 | Very high | 38 Ų | 38 | 56.2 Ų | 56.2 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -83 | 140.2 | 173.1 | 74.7 | 0 | 0 | 0 | 0 | 110.3 | T589 Q602 | S541-T589 PolarHBondContact N-OG1 2.86Å; S541-T589 PolarHBondContact OG-OG1 2.82Å; S541-Q602 PolarHBondContact O-NE2 3.4Å |
| 542 | K | 83.4 | Confident | 90.1 | Very high | 198 Ų | 198 | 56.6 Ų | 56.6 | 86% | 0.861 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -75.8 | -34 | 177.4 | -70.8 | -170.6 | 177.9 | 179.9 | 0 | 112.3 | Q602 | K542-Q602 PolarHBondContact O-NE2 2.86Š|
| 543 | T | 86.8 | Confident | 90.2 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 72% | 0.718 | 30% | 0.304 | S | S | * | . | trans | -137.4 | 137.1 | -177.9 | 46.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 544 | A | 89.9 | Confident | 90.2 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | trans | -140.9 | 159.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q602 S603 E604 | A544-Q602 HydrophobicContact CB-CB 4.07Å; A544-Q602 HydrophobicContact CB-CG 4.15Å; A544-S603 WeakPolarHBondContact CB-O 3.12Å; A544-E604 WeakPolarHBondContact CA-OE1 3.15Å | ||
| 545 | S | 92 | Very high | 90 | Very high | 87 Ų | 87 | 61.7 Ų | 61.7 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -62.6 | -42.9 | -175.5 | -60.2 | 0 | 0 | 0 | 0 | 113 | E604 | S545-E604 WeakPolarHBondContact CB-OE2 3.24Å; S545-E604 PolarHBondContact N-OE2 3.49Å; S545-E604 PolarHBondContact OG-OE2 2.8Å |
| 546 | H | 93.6 | Very high | 89.9 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 18% | 0.181 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137 | -176.3 | -59 | 104 | 0 | 0 | 0 | 111.4 | Q602 S603 E604 L609 | H546-Q602 WeakPolarHBondContact O-CA 3.37Å; H546-Q602 WeakPolarHBondContact O-CB 3.49Å; H546-S603 PolarHBondContact N-O 3.13Å; H546-S603 PolarHBondContact O-N 2.72Å; H546-E604 PolarHBondContact CE1-O 2.76Å; H546-E604 VanDerWaalsContact CE1-O 3.3Å; H546-E604 PolarHBondContact ND1-O 3.39Å; H546-L609 HydrophobicContact CB-CD1 4Å |
| 547 | K | 93.6 | Very high | 89.9 | Confident | 146 Ų | 146 | 60.6 Ų | 60.6 | 64% | 0.635 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 136.7 | -179.7 | 66.2 | -169 | 174.7 | -166.9 | 0 | 112.5 | I601 Q602 | K547-I601 CarbonylContact C-O 3.48Å; K547-I601 WeakPolarHBondContact CA-O 3.5Å; K547-Q602 HydrophobicContact CB-CB 4.05Å |
| 548 | I | 94.2 | Very high | 90 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.7 | 174.3 | -69 | 169.7 | 0 | 0 | 0 | 108.2 | I550 R600 I601 F606 L609 F636 L733 L737 | I548-I550 HydrophobicContact CG2-CD1 3.83Å; I548-I550 HydrophobicContact CG2-CG1 4.32Å; I548-R600 CarbonylContact O-C 3.59Å; I548-R600 VanDerWaalsContact O-CA 3.32Å; I548-R600 WeakPolarHBondContact O-CA 3.41Å; I548-I601 PolarHBondContact N-O 2.84Å; I548-I601 PolarHBondContact O-N 2.88Å; I548-F606 HydrophobicContact CD1-CE2 4.13Å; I548-L609 HydrophobicContact CD1-CB 4.28Å; I548-L609 HydrophobicContact CD1-CD1 3.67Å; I548-L609 HydrophobicContact CG1-CD1 3.98Å; I548-F636 HydrophobicContact CG2-CD2 4.39Å; I548-F636 HydrophobicContact CG2-CE2 4.01Å; I548-L733 HydrophobicContact CD1-CD1 3.87Å; I548-L733 HydrophobicContact CD1-CD2 3.6Å; I548-L733 HydrophobicContact CD1-CG 3.99Å; I548-L737 HydrophobicContact CD1-CD1 3.97Å; I548-L737 HydrophobicContact CG2-CD2 3.85Å |
| 549 | T | 94.5 | Very high | 90.2 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 115.9 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | R598 Y599 R600 F636 | T549-R598 HydrophobicContact CG2-CB 4Å; T549-R598 HydrophobicContact CG2-CG 4.05Å; T549-Y599 CarbonylContact C-O 3.56Å; T549-Y599 WeakPolarHBondContact CA-O 3.49Å; T549-R600 PolarHBondContact OG1-NE 2.75Å; T549-F636 WeakPolarHBondContact O-CD2 3.44Å |
| 550 | I | 94.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121 | 175.8 | -55.7 | -58 | 0 | 0 | 0 | 108.1 | I548 R598 Y599 I601 T613 C634 F636 L737 L740 | I548-I550 HydrophobicContact CG2-CD1 3.83Å; I548-I550 HydrophobicContact CG2-CG1 4.32Å; I550-R598 CarbonylContact O-C 3.58Å; I550-R598 VanDerWaalsContact O-CA 3.3Å; I550-R598 WeakPolarHBondContact O-CA 3.46Å; I550-Y599 PolarHBondContact N-O 2.81Å; I550-Y599 PolarHBondContact O-N 3.26Å; I550-I601 HydrophobicContact CG1-CD1 4.1Å; I550-T613 HydrophobicContact CD1-CG2 4.34Å; I550-T613 HydrophobicContact CG1-CG2 4.16Å; I550-C634 HydrophobicContact CG2-CB 3.98Å; I550-F636 HydrophobicContact CD1-CD2 4.22Å; I550-L737 HydrophobicContact CD1-CD2 3.97Å; I550-L740 HydrophobicContact CD1-CD1 3.99Å |
| 551 | D | 93.5 | Very high | 90.3 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 144.5 | 174.7 | -57.8 | -55.3 | 0 | 0 | 0 | 109.4 | R598 C634 S635 S637 | D551-R598 VanDerWaalsContact OD1-CB 3.31Å; D551-R598 WeakPolarHBondContact OD1-CB 3.23Å; D551-C634 CarbonylContact O-C 3.5Å; D551-C634 WeakPolarHBondContact O-CA 3.44Å; D551-S635 WeakPolarHBondContact CA-O 3.41Å; D551-S635 WeakPolarHBondContact CB-O 3.34Å; D551-S635 PolarHBondContact N-O 3.21Å; D551-S635 PolarHBondContact O-N 2.86Å; D551-S637 WeakPolarHBondContact OD2-CB 3.42Å; D551-S637 PolarHBondContact OD2-OG 3.04Å |
| 552 | T | 92.7 | Very high | 90.5 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 159.7 | 176.7 | 64.7 | 0 | 0 | 0 | 0 | 109 | K554 Q597 Y599 L620 F632 A633 | T552-K554 PolarHBondContact OG1-O 3.21Å; T552-Q597 WeakPolarHBondContact CA-O 3.46Å; T552-Q597 PolarHBondContact N-O 3.25Å; T552-Q597 WeakPolarHBondContact O-CB 3.42Å; T552-Q597 PolarHBondContact O-OE1 3.22Å; T552-Q597 PolarHBondContact OG1-O 3.4Å; T552-Y599 HydrophobicContact CG2-CD2 3.99Å; T552-Y599 HydrophobicContact CG2-CE2 3.94Å; T552-L620 HydrophobicContact CG2-CD1 4.45Å; T552-F632 HydrophobicContact CG2-CE2 3.95Å; T552-F632 HydrophobicContact CG2-CZ 4.04Å; T552-A633 WeakPolarHBondContact CA-O 3.45Å |
| 553 | N | 91.8 | Very high | 90.8 | Very high | 65 Ų | 65 | 42.3 Ų | 42.3 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -95.2 | 12.9 | 175.6 | 68.9 | -23.7 | 0 | 0 | 0 | 113.7 | Q597 D631 A633 | N553-Q597 PolarHBondContact O-OE1 3.3Å; N553-D631 PolarHBondContact ND2-O 2.86Å; N553-A633 PolarHBondContact N-O 3.38Å; N553-A633 PolarHBondContact OD1-N 3.35Å; N553-A633 PolarHBondContact OD1-O 3.44Å |
| 554 | K | 89.5 | Confident | 90.8 | Very high | 46 Ų | 46 | 41 Ų | 41 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -128.2 | 162 | -178.2 | -63 | -63.3 | 175.3 | 177.6 | 0 | 110.9 | T552 Q597 F624 V629 D631 F632 | T552-K554 PolarHBondContact OG1-O 3.21Å; K554-Q597 VanDerWaalsContact O-CB 3.23Å; K554-Q597 WeakPolarHBondContact O-CB 3.24Å; K554-Q597 VanDerWaalsContact O-CG 3.24Å; K554-Q597 WeakPolarHBondContact O-CG 3.36Å; K554-F624 HydrophobicContact CB-CE1 3.91Å; K554-F624 HydrophobicContact CB-CE2 4.09Å; K554-F624 HydrophobicContact CB-CZ 3.49Å; K554-F624 VanDerWaalsContact CB-CZ 3.49Å; K554-F624 HydrophobicContact CG-CE1 4.09Å; K554-F624 HydrophobicContact CG-CE2 4.44Å; K554-F624 HydrophobicContact CG-CZ 4.03Å; K554-V629 HydrophobicContact CD-CG1 4.26Å; K554-V629 VanDerWaalsContact CE-CG1 3.47Å; K554-D631 WeakPolarHBondContact CE-OD1 3.37Å; K554-D631 IonicContact NZ-OD1 3.55Å; K554-D631 PolarHBondContact NZ-OD1 3.37Å; K554-D631 IonicContact NZ-OD2 3.01Å; K554-D631 PolarHBondContact NZ-OD2 3.4Å; K554-F632 HydrophobicContact CB-CD2 4.29Å; K554-F632 HydrophobicContact CG-CD2 3.85Å |
| 555 | S | 85.8 | Confident | 90.5 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 59% | 0.587 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -60.6 | 140.1 | 175.9 | 52.3 | 0 | 0 | 0 | 0 | 111 | V557 | S555-V557 PolarHBondContact O-N 2.75Å; S555-V557 VanDerWaalsContact O-N 3.16Å |
| 556 | P | 87.3 | Confident | 90.3 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 29% | 0.286 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -55.4 | 119.6 | 176.7 | -24.5 | 33.1 | 0 | 0 | 0 | 112.2 | S593 S596 Y599 | P556-S593 VanDerWaalsContact CG-O 3.31Å; P556-S593 WeakPolarHBondContact CG-O 3.46Å; P556-S596 WeakPolarHBondContact CG-O 3.33Å; P556-Y599 WeakPolarHBondContact CA-OH 3.42Å |
| 557 | V | 89.3 | Confident | 89.5 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 141.2 | 169.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | S555 L559 S561 L562 Y599 L620 Y623 F624 | S555-V557 PolarHBondContact O-N 2.75Å; S555-V557 VanDerWaalsContact O-N 3.16Å; V557-L559 PolarHBondContact O-N 2.92Å; V557-S561 WeakPolarHBondContact CG1-OG 3.5Å; V557-L562 HydrophobicContact CB-CD1 4.34Å; V557-L562 HydrophobicContact CB-CG 4.47Å; V557-L562 HydrophobicContact CG1-CD1 4.37Å; V557-L562 HydrophobicContact CG1-CD2 3.93Å; V557-L562 HydrophobicContact CG1-CG 3.97Å; V557-Y599 WeakPolarHBondContact CA-OH 3.29Å; V557-Y599 PolarHBondContact N-OH 3.08Å; V557-Y599 PolarHBondContact O-OH 3.22Å; V557-L620 HydrophobicContact CB-CD2 4.18Å; V557-L620 HydrophobicContact CG2-CD2 4.05Å; V557-Y623 HydrophobicContact CB-CE1 4.42Å; V557-Y623 HydrophobicContact CG1-CD1 4.02Å; V557-Y623 HydrophobicContact CG1-CD2 4.23Å; V557-Y623 HydrophobicContact CG1-CE1 3.79Å; V557-Y623 HydrophobicContact CG1-CE2 4Å; V557-Y623 HydrophobicContact CG1-CG 4.24Å; V557-Y623 HydrophobicContact CG2-CD1 3.79Å; V557-Y623 HydrophobicContact CG2-CE1 3.68Å; V557-F624 HydrophobicContact CG2-CE1 4.21Å; V557-F624 HydrophobicContact CG2-CE2 3.85Å; V557-F624 HydrophobicContact CG2-CZ 3.47Å; V557-F624 VanDerWaalsContact CG2-CZ 3.47Å |
| 558 | S | 89.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 33 Ų | 33 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -59.2 | 129.5 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | L560 S561 L562 | S558-L560 PolarHBondContact O-N 2.97Å; S558-L560 PolarHBondContact OG-N 3.08Å; S558-S561 PolarHBondContact O-N 2.89Å; S558-S561 PolarHBondContact O-OG 3.33Å; S558-L562 PolarHBondContact O-N 3.21Å |
| 559 | L | 90.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -30.2 | -179.5 | -65.6 | -179.5 | 0 | 0 | 0 | 112.2 | V557 S561 L562 F563 V575 N576 M578 V590 A592 Y599 | V557-L559 PolarHBondContact O-N 2.92Å; L559-S561 PolarHBondContact O-N 3.31Å; L559-L562 HydrophobicContact CD2-CD1 4.39Å; L559-L562 PolarHBondContact O-N 3.49Å; L559-F563 PolarHBondContact O-N 3.11Å; L559-V575 PolarHBondContact N-O 3.45Å; L559-N576 WeakPolarHBondContact CD1-O 3.13Å; L559-M578 HydrophobicContact CB-CB 4.33Å; L559-M578 HydrophobicContact CB-CE 4.19Å; L559-M578 HydrophobicContact CD1-CB 3.87Å; L559-V590 HydrophobicContact CD1-CB 4.31Å; L559-V590 HydrophobicContact CD1-CG1 4.06Å; L559-V590 WeakPolarHBondContact CD1-O 3.48Å; L559-V590 HydrophobicContact CD2-CG1 3.8Å; L559-A592 HydrophobicContact CD1-CB 4.35Å; L559-A592 HydrophobicContact CD2-CB 4.28Å; L559-A592 HydrophobicContact CG-CB 4.07Å; L559-Y599 HydrophobicContact CD2-CD1 4.15Å; L559-Y599 HydrophobicContact CD2-CE1 4.02Å |
| 560 | L | 88.2 | Confident | 84.2 | Confident | 52 Ų | 52 | 45.9 Ų | 45.9 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 173.5 | -69.5 | 164.4 | 0 | 0 | 0 | 112.5 | S558 P564 A567 Q574 V575 M578 | S558-L560 PolarHBondContact O-N 2.97Å; S558-L560 PolarHBondContact OG-N 3.08Å; L560-P564 VanDerWaalsContact O-CA 3.28Å; L560-P564 WeakPolarHBondContact O-CA 3.5Å; L560-A567 HydrophobicContact CD2-CB 3.58Å; L560-Q574 HydrophobicContact CD2-CB 3.87Å; L560-Q574 HydrophobicContact CG-CB 4.26Å; L560-V575 HydrophobicContact CD1-CB 4.37Å; L560-V575 HydrophobicContact CD1-CG2 3.7Å; L560-M578 HydrophobicContact CD2-CE 4.27Å |
| 561 | S | 88.5 | Confident | 82.4 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 37% | 0.371 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -78.3 | -30.9 | 178.6 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | V557 S558 L559 | V557-S561 WeakPolarHBondContact CG1-OG 3.5Å; S558-S561 PolarHBondContact O-N 2.89Å; S558-S561 PolarHBondContact O-OG 3.33Å; L559-S561 PolarHBondContact O-N 3.31Å |
| 562 | L | 90.8 | Very high | 80.7 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.7 | -37.5 | 176.9 | -60.2 | 175.1 | 0 | 0 | 0 | 111.2 | V557 S558 L559 P564 L616 R619 L620 Y623 | V557-L562 HydrophobicContact CB-CD1 4.34Å; V557-L562 HydrophobicContact CB-CG 4.47Å; V557-L562 HydrophobicContact CG1-CD1 4.37Å; V557-L562 HydrophobicContact CG1-CD2 3.93Å; V557-L562 HydrophobicContact CG1-CG 3.97Å; S558-L562 PolarHBondContact O-N 3.21Å; L559-L562 HydrophobicContact CD2-CD1 4.39Å; L559-L562 PolarHBondContact O-N 3.49Å; L562-P564 VanDerWaalsContact C-CD 3.41Å; L562-P564 WeakPolarHBondContact O-CD 3.29Å; L562-L616 HydrophobicContact CD1-CD1 3.89Å; L562-R619 HydrophobicContact CD2-CB 4.35Å; L562-R619 WeakPolarHBondContact O-CD 3.3Å; L562-R619 PolarHBondContact O-NH1 2.78Å; L562-L620 HydrophobicContact CD1-CD2 3.66Å; L562-L620 HydrophobicContact CD1-CG 4.05Å; L562-L620 HydrophobicContact CD2-CD2 4.05Å; L562-L620 HydrophobicContact CD2-CG 4.45Å; L562-Y623 HydrophobicContact CD2-CD2 4.48Å; L562-Y623 HydrophobicContact CD2-CG 4.29Å |
| 563 | F | 91.2 | Very high | 79.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -124.9 | 61.4 | -174.7 | -61.8 | -81.2 | 0 | 0 | 0 | 112 | L531 L559 G565 F566 M578 F580 E615 L616 R619 | L531-F563 HydrophobicContact CD2-CD1 4.37Å; L531-F563 HydrophobicContact CD2-CE1 4.01Å; L559-F563 PolarHBondContact O-N 3.11Å; F563-G565 PolarHBondContact O-N 2.98Å; F563-G565 VanDerWaalsContact O-N 3.1Å; F563-F566 HydrophobicContact CB-CB 4.24Å; F563-F566 HydrophobicContact CB-CD2 4.01Å; F563-F566 HydrophobicContact CD1-CD2 4.2Å; F563-F566 HydrophobicContact CD1-CE2 4.46Å; F563-F566 PolarHBondContact O-N 2.84Å; F563-M578 HydrophobicContact CB-CE 4.13Å; F563-M578 HydrophobicContact CB-SD 3.45Å; F563-M578 WeakPolarHBondContact CB-SD 3.41Å; F563-M578 HydrophobicContact CD2-SD 4.23Å; F563-M578 HydrophobicContact CG-SD 4.08Å; F563-F580 HydrophobicContact CB-CZ 4.44Å; F563-F580 AromaticContact CD1-CE1 3.94Å; F563-F580 HydrophobicContact CD1-CE1 3.94Å; F563-F580 AromaticContact CD1-CZ 3.96Å; F563-F580 HydrophobicContact CD1-CZ 3.96Å; F563-F580 AromaticContact CD2-CZ 4Å; F563-F580 HydrophobicContact CD2-CZ 4Å; F563-F580 HydrophobicContact CE1-CE1 4.31Å; F563-F580 HydrophobicContact CE1-CZ 4.18Å; F563-F580 HydrophobicContact CE2-CZ 4.21Å; F563-F580 HydrophobicContact CG-CE1 4.18Å; F563-F580 AromaticContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CZ-CZ 4.3Å; F563-E615 HydrophobicContact CE1-CB 4.24Å; F563-E615 HydrophobicContact CZ-CB 4.47Å; F563-L616 HydrophobicContact CE2-CD1 4.03Å; F563-L616 HydrophobicContact CZ-CB 4.41Å; F563-R619 VanDerWaalsContact CD1-NH1 3.26Å | ||
| 564 | P | 86.6 | Confident | 77.9 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 58% | 0.584 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -61.3 | -28.8 | -171.2 | 23.6 | -34.8 | 0 | 0 | 0 | 113.9 | L560 L562 | L560-P564 VanDerWaalsContact O-CA 3.28Å; L560-P564 WeakPolarHBondContact O-CA 3.5Å; L562-P564 VanDerWaalsContact C-CD 3.41Å; L562-P564 WeakPolarHBondContact O-CD 3.29Å |
| 565 | G | 83.6 | Confident | 77.1 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -90.6 | 8.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | F563 | F563-G565 PolarHBondContact O-N 2.98Å; F563-G565 VanDerWaalsContact O-N 3.1Å |
| 566 | F | 86.4 | Confident | 77 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -109.4 | 8.5 | 171.8 | -67.9 | -89.5 | 0 | 0 | 0 | 111.7 | L531 K532 C535 P537 F563 M578 F580 | L531-F566 HydrophobicContact CD2-CE2 4.04Å; L531-F566 HydrophobicContact CD2-CZ 3.99Å; L531-F566 HydrophobicContact CG-CE2 4.38Å; L531-F566 HydrophobicContact CG-CZ 3.98Å; K532-F566 HydrophobicContact CB-CZ 4.34Å; K532-F566 HydrophobicContact CG-CE2 3.65Å; K532-F566 HydrophobicContact CG-CZ 3.67Å; C535-F566 HydrophobicContact CB-CE1 3.85Å; C535-F566 HydrophobicContact CB-CZ 4.01Å; C535-F566 WeakPolarHBondContact O-CE1 3.45Å; P537-F566 HydrophobicContact CB-CB 4.5Å; P537-F566 HydrophobicContact CB-CD1 4.44Å; P537-F566 WeakPolarHBondContact CB-O 3.48Å; F563-F566 HydrophobicContact CB-CB 4.24Å; F563-F566 HydrophobicContact CB-CD2 4.01Å; F563-F566 HydrophobicContact CD1-CD2 4.2Å; F563-F566 HydrophobicContact CD1-CE2 4.46Å; F563-F566 PolarHBondContact O-N 2.84Å; F566-M578 HydrophobicContact CB-SD 3.73Å; F566-F580 HydrophobicContact CB-CE1 4.18Å; F566-F580 AromaticContact CD1-CD1 3.76Å; F566-F580 HydrophobicContact CD1-CD1 3.76Å; F566-F580 AromaticContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD2-CE1 4.04Å; F566-F580 AromaticContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CE1 4.27Å; F566-F580 HydrophobicContact CE2-CE1 4.39Å; F566-F580 HydrophobicContact CG-CD1 4.13Å; F566-F580 AromaticContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CZ-CD1 4.46Å; F566-F580 HydrophobicContact CZ-CE1 4.5Å |
| 567 | A | 77 | Confident | 77.1 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | trans | -73.2 | 129.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L560 | L560-A567 HydrophobicContact CD2-CB 3.58Š| ||
| 568 | S | 65.1 | Low | 77.2 | Confident | 43 Ų | 43 | 56.8 Ų | 56.8 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | trans | -84.5 | 144 | 166.5 | 77.5 | 0 | 0 | 0 | 0 | 109.3 | S570 Q574 | S568-S570 PolarHBondContact O-N 2.86Å; S568-Q574 PolarHBondContact OG-NE2 2.91Å | ||
| 569 | Q | 54.7 | Low | 77.3 | Confident | 210 Ų | 210 | 55.1 Ų | 55.1 | 98% | 0.981 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 7.5 | -165.8 | -72 | -176.8 | -7.5 | 0 | 0 | 116 | ||
| 570 | S | 52.5 | Low | 77.5 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 70% | 0.699 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.6 | 9.4 | -166.6 | 59.2 | 0 | 0 | 0 | 0 | 118.9 | S568 | S568-S570 PolarHBondContact O-N 2.86Š|
| 571 | D | 56.1 | Low | 77.6 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | trans | -129.7 | 111.3 | -176.4 | -78 | -28.6 | 0 | 0 | 0 | 114.6 | D573 Q574 | D571-D573 HydrophobicContact CB-CB 4.42Å; D571-D573 PolarHBondContact O-N 3.07Å; D571-D573 VanDerWaalsContact O-N 3.13Å; D571-Q574 HydrophobicContact CB-CG 4.1Å; D571-Q574 PolarHBondContact O-N 3.04Å | ||
| 572 | D | 58.5 | Low | 77.7 | Confident | 153 Ų | 153 | 53 Ų | 53 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -59.1 | -15.9 | 165.7 | -121.8 | -2 | 0 | 0 | 0 | 112 | Q574 V575 | D572-Q574 PolarHBondContact O-N 2.87Å; D572-V575 VanDerWaalsContact O-CG2 3.27Å; D572-V575 WeakPolarHBondContact O-CG2 3.37Å |
| 573 | D | 61 | Low | 77.5 | Confident | 134 Ų | 134 | 53.2 Ų | 53.2 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -69.3 | -18.6 | 176.6 | -80.2 | -21.2 | 0 | 0 | 0 | 113.4 | D571 V575 | D571-D573 HydrophobicContact CB-CB 4.42Å; D571-D573 PolarHBondContact O-N 3.07Å; D571-D573 VanDerWaalsContact O-N 3.13Å; D573-V575 PolarHBondContact O-N 3.36Å |
| 574 | Q | 64.2 | Low | 76.9 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -75.7 | -4.3 | -177.1 | -65.4 | -164.4 | -8.4 | 0 | 0 | 114.9 | L560 S568 D571 D572 N576 V577 | L560-Q574 HydrophobicContact CD2-CB 3.87Å; L560-Q574 HydrophobicContact CG-CB 4.26Å; S568-Q574 PolarHBondContact OG-NE2 2.91Å; D571-Q574 HydrophobicContact CB-CG 4.1Å; D571-Q574 PolarHBondContact O-N 3.04Å; D572-Q574 PolarHBondContact O-N 2.87Å; Q574-N576 PolarHBondContact O-N 2.97Å; Q574-V577 WeakPolarHBondContact CA-O 3.31Å |
| 575 | V | 71.9 | Confident | 76.8 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -58.5 | -35.9 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | L559 L560 D572 D573 | L559-V575 PolarHBondContact N-O 3.45Å; L560-V575 HydrophobicContact CD1-CB 4.37Å; L560-V575 HydrophobicContact CD1-CG2 3.7Å; D572-V575 VanDerWaalsContact O-CG2 3.27Å; D572-V575 WeakPolarHBondContact O-CG2 3.37Å; D573-V575 PolarHBondContact O-N 3.36Å |
| 576 | N | 84.6 | Confident | 77 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | -10.3 | -173.3 | -61.8 | -75.2 | 0 | 0 | 0 | 114.5 | L559 Q574 L591 A592 K594 | L559-N576 WeakPolarHBondContact CD1-O 3.13Å; Q574-N576 PolarHBondContact O-N 2.97Å; N576-L591 CarbonylContact O-C 3.52Å; N576-L591 WeakPolarHBondContact O-CA 3.26Å; N576-A592 PolarHBondContact O-N 3.08Å; N576-K594 HydrophobicContact CB-CG 4.45Å; N576-K594 WeakPolarHBondContact ND2-CE 3.32Å |
| 577 | V | 90.2 | Very high | 77.3 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 128.5 | -179.5 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | P540 Q574 T589 V590 L591 | P540-V577 HydrophobicContact CB-CG1 3.56Å; P540-V577 HydrophobicContact CG-CG1 3.93Å; Q574-V577 WeakPolarHBondContact CA-O 3.31Å; V577-T589 HydrophobicContact CG1-CG2 4.04Å; V577-V590 WeakPolarHBondContact CA-O 3.41Å; V577-L591 HydrophobicContact CG1-CD2 4.46Å; V577-L591 HydrophobicContact CG1-CG 4.36Å; V577-L591 HydrophobicContact CG2-CD2 4.11Å; V577-L591 HydrophobicContact CG2-CG 4.37Å |
| 578 | M | 91 | Very high | 78.1 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.8 | 179.6 | -169.6 | 169.1 | -77.2 | 0 | 0 | 110.8 | L559 L560 F563 F566 F580 T589 V590 | L559-M578 HydrophobicContact CB-CB 4.33Å; L559-M578 HydrophobicContact CB-CE 4.19Å; L559-M578 HydrophobicContact CD1-CB 3.87Å; L560-M578 HydrophobicContact CD2-CE 4.27Å; F563-M578 HydrophobicContact CB-CE 4.13Å; F563-M578 HydrophobicContact CB-SD 3.45Å; F563-M578 WeakPolarHBondContact CB-SD 3.41Å; F563-M578 HydrophobicContact CD2-SD 4.23Å; F563-M578 HydrophobicContact CG-SD 4.08Å; F566-M578 HydrophobicContact CB-SD 3.73Å; M578-F580 HydrophobicContact CB-CE2 4.14Å; M578-F580 HydrophobicContact CB-CZ 4.41Å; M578-F580 HydrophobicContact CG-CE1 4.47Å; M578-F580 HydrophobicContact CG-CE2 3.94Å; M578-F580 HydrophobicContact CG-CZ 3.86Å; M578-F580 HydrophobicContact SD-CE1 4.15Å; M578-F580 HydrophobicContact SD-CE2 4.31Å; M578-F580 HydrophobicContact SD-CZ 3.64Å; M578-T589 WeakPolarHBondContact O-CA 3.37Å; M578-V590 PolarHBondContact N-O 3.17Å; M578-V590 PolarHBondContact O-N 3.39Å |
| 579 | G | 91.8 | Very high | 79.5 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 141.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G538 I588 | G538-G579 PolarHBondContact N-O 3.17Å; G538-G579 CarbonylContact O-C 3.57Å; G538-G579 VanDerWaalsContact O-CA 3.27Å; G538-G579 WeakPolarHBondContact O-CA 3.12Å; G579-I588 CarbonylContact C-O 3.58Å; G579-I588 WeakPolarHBondContact CA-O 3.47Å |
| 580 | F | 92.8 | Very high | 81.4 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.7 | 179.7 | -63 | -86.7 | 0 | 0 | 0 | 108.6 | L531 F563 F566 M578 R587 I588 V590 I612 | L531-F580 HydrophobicContact CD2-CE1 4.45Å; F563-F580 HydrophobicContact CB-CZ 4.44Å; F563-F580 AromaticContact CD1-CE1 3.94Å; F563-F580 HydrophobicContact CD1-CE1 3.94Å; F563-F580 AromaticContact CD1-CZ 3.96Å; F563-F580 HydrophobicContact CD1-CZ 3.96Å; F563-F580 AromaticContact CD2-CZ 4Å; F563-F580 HydrophobicContact CD2-CZ 4Å; F563-F580 HydrophobicContact CE1-CE1 4.31Å; F563-F580 HydrophobicContact CE1-CZ 4.18Å; F563-F580 HydrophobicContact CE2-CZ 4.21Å; F563-F580 HydrophobicContact CG-CE1 4.18Å; F563-F580 AromaticContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CG-CZ 3.88Å; F563-F580 HydrophobicContact CZ-CZ 4.3Å; F566-F580 HydrophobicContact CB-CE1 4.18Å; F566-F580 AromaticContact CD1-CD1 3.76Å; F566-F580 HydrophobicContact CD1-CD1 3.76Å; F566-F580 AromaticContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD1-CE1 3.89Å; F566-F580 HydrophobicContact CD2-CE1 4.04Å; F566-F580 AromaticContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CD1 3.95Å; F566-F580 HydrophobicContact CE1-CE1 4.27Å; F566-F580 HydrophobicContact CE2-CE1 4.39Å; F566-F580 HydrophobicContact CG-CD1 4.13Å; F566-F580 AromaticContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CG-CE1 3.77Å; F566-F580 HydrophobicContact CZ-CD1 4.46Å; F566-F580 HydrophobicContact CZ-CE1 4.5Å; M578-F580 HydrophobicContact CB-CE2 4.14Å; M578-F580 HydrophobicContact CB-CZ 4.41Å; M578-F580 HydrophobicContact CG-CE1 4.47Å; M578-F580 HydrophobicContact CG-CE2 3.94Å; M578-F580 HydrophobicContact CG-CZ 3.86Å; M578-F580 HydrophobicContact SD-CE1 4.15Å; M578-F580 HydrophobicContact SD-CE2 4.31Å; M578-F580 HydrophobicContact SD-CZ 3.64Å; F580-R587 WeakPolarHBondContact O-CA 3.25Å; F580-I588 HydrophobicContact CB-CB 4.3Å; F580-I588 PolarHBondContact N-O 2.76Å; F580-I588 PolarHBondContact O-N 2.91Å; F580-V590 HydrophobicContact CD2-CG2 4.09Å; F580-V590 HydrophobicContact CE2-CB 4.09Å; F580-V590 HydrophobicContact CE2-CG2 3.55Å; F580-I612 HydrophobicContact CB-CD1 4.13Å; F580-I612 HydrophobicContact CD1-CD1 3.92Å; F580-I612 HydrophobicContact CD2-CD1 4.25Å; F580-I612 HydrophobicContact CD2-CG2 4.18Å; F580-I612 HydrophobicContact CE1-CD1 4.41Å; F580-I612 HydrophobicContact CE2-CG2 4.13Å; F580-I612 HydrophobicContact CG-CD1 3.83Å; F580-I612 HydrophobicContact CG-CG1 4.46Å |
| 581 | H | 91.1 | Very high | 83.3 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 111.2 | 175.9 | -176.9 | 54 | 0 | 0 | 0 | 109.1 | L536 G585 A586 | L536-H581 PolarHBondContact N-O 2.88Å; L536-H581 PolarHBondContact O-N 2.93Å; H581-G585 PolarHBondContact CE1-O 3.32Å; H581-A586 WeakPolarHBondContact CA-O 3.27Å; H581-A586 PolarHBondContact ND1-O 2.76Å |
| 582 | F | 90.8 | Very high | 85 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 147.2 | 172.6 | -69.2 | -46.3 | 0 | 0 | 0 | 110.1 | T496 L531 I534 C535 G584 G585 A586 I588 L611 I612 | T496-F582 HydrophobicContact CG2-CB 3.94Å; T496-F582 HydrophobicContact CG2-CD2 3.37Å; T496-F582 HydrophobicContact CG2-CE2 3.94Å; T496-F582 HydrophobicContact CG2-CG 3.72Å; L531-F582 HydrophobicContact CD1-CE1 4.07Å; I534-F582 HydrophobicContact CD1-CD1 4.21Å; I534-F582 HydrophobicContact CD1-CE1 4.01Å; I534-F582 HydrophobicContact CG1-CD1 4.23Å; I534-F582 HydrophobicContact CG1-CE1 4.26Å; I534-F582 WeakPolarHBondContact O-CA 3.37Å; C535-F582 HydrophobicContact CB-CD1 3.65Å; C535-F582 HydrophobicContact CB-CE1 3.8Å; F582-G584 PolarHBondContact O-N 2.86Å; F582-G584 VanDerWaalsContact O-N 3.07Å; F582-G585 PolarHBondContact O-N 3.06Å; F582-A586 HydrophobicContact CB-CB 4.22Å; F582-A586 HydrophobicContact CD2-CB 3.86Å; F582-A586 PolarHBondContact N-O 3.43Å; F582-I588 HydrophobicContact CD2-CD1 3.34Å; F582-I588 HydrophobicContact CE2-CD1 3.22Å; F582-I588 HydrophobicContact CE2-CG1 4.22Å; F582-I588 HydrophobicContact CG-CD1 4.19Å; F582-I588 HydrophobicContact CZ-CD1 3.97Å; F582-L611 HydrophobicContact CE1-CD1 4.29Å; F582-L611 HydrophobicContact CE2-CD1 4.29Å; F582-L611 HydrophobicContact CZ-CB 3.94Å; F582-L611 HydrophobicContact CZ-CD1 3.84Å; F582-I612 HydrophobicContact CE1-CD1 4.19Å; F582-I612 HydrophobicContact CZ-CD1 3.93Å; F582-I612 HydrophobicContact CZ-CG1 3.94Å |
| 583 | L | 86.3 | Confident | 86.5 | Confident | 14 Ų | 14 | 33.5 Ų | 33.5 | 7% | 0.073 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.1 | 176.3 | -84.7 | 154.9 | 0 | 0 | 0 | 112.5 | V432 T434 P438 L491 L533 I534 L536 G585 | V432-L583 HydrophobicContact CG1-CB 4.18Å; V432-L583 HydrophobicContact CG1-CD2 4.3Å; V432-L583 WeakPolarHBondContact CG1-O 2.96Å; T434-L583 HydrophobicContact CG2-CD2 4.48Å; P438-L583 HydrophobicContact CG-CD1 4.3Å; L491-L583 HydrophobicContact CD2-CB 3.62Å; L491-L583 HydrophobicContact CD2-CD1 4.19Å; L533-L583 WeakPolarHBondContact O-CD1 3.44Å; I534-L583 PolarHBondContact O-N 3.38Å; L536-L583 HydrophobicContact CD1-CD2 4.38Å; L583-G585 VanDerWaalsContact C-N 3.28Å; L583-G585 PolarHBondContact O-N 3.25Å |
| 584 | G | 78.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 35.2 Ų | 35.2 | 34% | 0.34 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.1 | 173 | 0 | 0 | 0 | 0 | 0 | 116.8 | S494 F582 | S494-G584 CarbonylContact O-C 3.55Å; S494-G584 WeakPolarHBondContact O-CA 3.41Å; F582-G584 PolarHBondContact O-N 2.86Å; F582-G584 VanDerWaalsContact O-N 3.07Å |
| 585 | G | 84.3 | Confident | 88.5 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 106.5 | -20.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | H581 F582 L583 | H581-G585 PolarHBondContact CE1-O 3.32Å; F582-G585 PolarHBondContact O-N 3.06Å; L583-G585 VanDerWaalsContact C-N 3.28Å; L583-G585 PolarHBondContact O-N 3.25Å |
| 586 | A | 88.4 | Confident | 89.2 | Confident | 20 Ų | 20 | 40.3 Ų | 40.3 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | trans | -60 | 145.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H581 F582 I588 D608 | H581-A586 WeakPolarHBondContact CA-O 3.27Å; H581-A586 PolarHBondContact ND1-O 2.76Å; F582-A586 HydrophobicContact CB-CB 4.22Å; F582-A586 HydrophobicContact CD2-CB 3.86Å; F582-A586 PolarHBondContact N-O 3.43Å; A586-I588 HydrophobicContact CB-CD1 4.37Å; A586-D608 VanDerWaalsContact CB-CG 3.47Å; A586-D608 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 587 | R | 91.9 | Very high | 89.5 | Confident | 171 Ų | 171 | 43 Ų | 43 | 65% | 0.645 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.7 | -175.9 | -68.1 | -177.9 | 179.5 | 174.7 | 0.7 | 111 | F580 S603 | F580-R587 WeakPolarHBondContact O-CA 3.25Å; R587-S603 PolarHBondContact O-OG 2.85Å; R587-S603 VanDerWaalsContact O-OG 3.13Å |
| 588 | I | 94.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.5 | -175.1 | -52.8 | 88.8 | 0 | 0 | 0 | 108.8 | G579 F580 F582 A586 I601 Q602 D608 I612 | G579-I588 CarbonylContact C-O 3.58Å; G579-I588 WeakPolarHBondContact CA-O 3.47Å; F580-I588 HydrophobicContact CB-CB 4.3Å; F580-I588 PolarHBondContact N-O 2.76Å; F580-I588 PolarHBondContact O-N 2.91Å; F582-I588 HydrophobicContact CD2-CD1 3.34Å; F582-I588 HydrophobicContact CE2-CD1 3.22Å; F582-I588 HydrophobicContact CE2-CG1 4.22Å; F582-I588 HydrophobicContact CG-CD1 4.19Å; F582-I588 HydrophobicContact CZ-CD1 3.97Å; A586-I588 HydrophobicContact CB-CD1 4.37Å; I588-I601 HydrophobicContact CG2-CG2 3.59Å; I588-Q602 WeakPolarHBondContact CA-O 3.47Å; I588-D608 HydrophobicContact CD1-CB 4.19Å; I588-D608 HydrophobicContact CG1-CB 3.97Å; I588-I612 HydrophobicContact CB-CG1 4.07Å; I588-I612 HydrophobicContact CD1-CG1 4.5Å; I588-I612 HydrophobicContact CG1-CG1 4.29Å; I588-I612 HydrophobicContact CG2-CB 4.09Å; I588-I612 HydrophobicContact CG2-CG1 3.9Å; I588-I612 HydrophobicContact CG2-CG2 4.18Å |
| 589 | T | 94.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.9 | 177.6 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | P540 S541 V577 M578 L591 I601 Q602 | P540-T589 HydrophobicContact CB-CG2 3.59Å; S541-T589 PolarHBondContact N-OG1 2.86Å; S541-T589 PolarHBondContact OG-OG1 2.82Å; V577-T589 HydrophobicContact CG1-CG2 4.04Å; M578-T589 WeakPolarHBondContact O-CA 3.37Å; T589-L591 HydrophobicContact CG2-CD1 3.97Å; T589-L591 HydrophobicContact CG2-CG 4.24Å; T589-I601 CarbonylContact O-C 3.59Å; T589-I601 WeakPolarHBondContact O-CA 3.48Å; T589-Q602 PolarHBondContact N-O 3.26Å; T589-Q602 PolarHBondContact O-N 3.37Å |
| 590 | V | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.5 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | L559 V577 M578 F580 R600 I601 I612 L616 | L559-V590 HydrophobicContact CD1-CB 4.31Å; L559-V590 HydrophobicContact CD1-CG1 4.06Å; L559-V590 WeakPolarHBondContact CD1-O 3.48Å; L559-V590 HydrophobicContact CD2-CG1 3.8Å; V577-V590 WeakPolarHBondContact CA-O 3.41Å; M578-V590 PolarHBondContact N-O 3.17Å; M578-V590 PolarHBondContact O-N 3.39Å; F580-V590 HydrophobicContact CD2-CG2 4.09Å; F580-V590 HydrophobicContact CE2-CB 4.09Å; F580-V590 HydrophobicContact CE2-CG2 3.55Å; V590-R600 CarbonylContact C-O 3.52Å; V590-R600 WeakPolarHBondContact CA-O 3.2Å; V590-I601 HydrophobicContact CG2-CG1 4.22Å; V590-I601 HydrophobicContact CG2-CG2 4.32Å; V590-I612 HydrophobicContact CG2-CG2 3.35Å; V590-L616 HydrophobicContact CG1-CD2 4.43Å |
| 591 | L | 93 | Very high | 90 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 117.2 | 176.4 | -55 | 99.6 | 0 | 0 | 0 | 109.8 | N576 V577 T589 Y599 R600 Q602 | N576-L591 CarbonylContact O-C 3.52Å; N576-L591 WeakPolarHBondContact O-CA 3.26Å; V577-L591 HydrophobicContact CG1-CD2 4.46Å; V577-L591 HydrophobicContact CG1-CG 4.36Å; V577-L591 HydrophobicContact CG2-CD2 4.11Å; V577-L591 HydrophobicContact CG2-CG 4.37Å; T589-L591 HydrophobicContact CG2-CD1 3.97Å; T589-L591 HydrophobicContact CG2-CG 4.24Å; L591-Y599 CarbonylContact O-C 3.46Å; L591-Y599 WeakPolarHBondContact O-CA 3.35Å; L591-R600 HydrophobicContact CB-CB 4.41Å; L591-R600 HydrophobicContact CD1-CB 4.38Å; L591-R600 HydrophobicContact CD1-CG 4.46Å; L591-R600 PolarHBondContact N-O 3.23Å; L591-R600 PolarHBondContact O-N 3.45Å; L591-Q602 HydrophobicContact CD1-CG 4.1Å |
| 592 | A | 92.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L559 N576 K594 Y599 | L559-A592 HydrophobicContact CD1-CB 4.35Å; L559-A592 HydrophobicContact CD2-CB 4.28Å; L559-A592 HydrophobicContact CG-CB 4.07Å; N576-A592 PolarHBondContact O-N 3.08Å; A592-K594 PolarHBondContact O-N 2.95Å; A592-Y599 HydrophobicContact CB-CD1 3.85Å; A592-Y599 HydrophobicContact CB-CE1 3.68Å |
| 593 | S | 89.4 | Confident | 90.4 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | trans | -76.1 | 116.3 | -176.5 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | P556 T595 S596 R598 | P556-S593 VanDerWaalsContact CG-O 3.31Å; P556-S593 WeakPolarHBondContact CG-O 3.46Å; S593-T595 PolarHBondContact O-N 2.96Å; S593-T595 VanDerWaalsContact O-N 3.14Å; S593-S596 WeakPolarHBondContact CB-O 3.14Å; S593-S596 PolarHBondContact O-N 3.41Å; S593-S596 WeakPolarHBondContact OG-CB 3.35Å; S593-S596 PolarHBondContact OG-N 3.27Å; S593-R598 VanDerWaalsContact CB-O 3.23Å; S593-R598 WeakPolarHBondContact CB-O 3.37Å; S593-R598 PolarHBondContact N-O 3.12Å | ||
| 594 | K | 83.8 | Confident | 90.8 | Very high | 170 Ų | 170 | 50.2 Ų | 50.2 | 74% | 0.739 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.9 | 178.1 | -64.1 | -178.9 | 178.3 | -179.1 | 0 | 114.3 | N576 A592 | N576-K594 HydrophobicContact CB-CG 4.45Å; N576-K594 WeakPolarHBondContact ND2-CE 3.32Å; A592-K594 PolarHBondContact O-N 2.95Å |
| 595 | T | 83.7 | Confident | 91.4 | Very high | 133 Ų | 133 | 53.2 Ų | 53.2 | 82% | 0.816 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -2.9 | -171.8 | 56 | 0 | 0 | 0 | 0 | 114.3 | S593 | S593-T595 PolarHBondContact O-N 2.96Å; S593-T595 VanDerWaalsContact O-N 3.14Å |
| 596 | S | 86.8 | Confident | 91.9 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -148.6 | 153.2 | -172.4 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | P556 S593 R598 | P556-S596 WeakPolarHBondContact CG-O 3.33Å; S593-S596 WeakPolarHBondContact CB-O 3.14Å; S593-S596 PolarHBondContact O-N 3.41Å; S593-S596 WeakPolarHBondContact OG-CB 3.35Å; S593-S596 PolarHBondContact OG-N 3.27Å; S596-R598 PolarHBondContact O-N 3.44Å; S596-R598 WeakPolarHBondContact OG-CD 3.35Å |
| 597 | Q | 91.2 | Very high | 92.2 | Very high | 92 Ų | 92 | 51 Ų | 51 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -78.7 | 49.2 | -179 | -61.3 | 179.5 | -3.5 | 0 | 0 | 112.2 | T552 N553 K554 | T552-Q597 WeakPolarHBondContact CA-O 3.46Å; T552-Q597 PolarHBondContact N-O 3.25Å; T552-Q597 WeakPolarHBondContact O-CB 3.42Å; T552-Q597 PolarHBondContact O-OE1 3.22Å; T552-Q597 PolarHBondContact OG1-O 3.4Å; N553-Q597 PolarHBondContact O-OE1 3.3Å; K554-Q597 VanDerWaalsContact O-CB 3.23Å; K554-Q597 WeakPolarHBondContact O-CB 3.24Å; K554-Q597 VanDerWaalsContact O-CG 3.24Å; K554-Q597 WeakPolarHBondContact O-CG 3.36Å |
| 598 | R | 92.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 33% | 0.332 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.5 | -171 | 70.4 | -170.3 | 178.2 | 177.4 | -4.7 | 113.2 | T549 I550 D551 S593 S596 | T549-R598 HydrophobicContact CG2-CB 4Å; T549-R598 HydrophobicContact CG2-CG 4.05Å; I550-R598 CarbonylContact O-C 3.58Å; I550-R598 VanDerWaalsContact O-CA 3.3Å; I550-R598 WeakPolarHBondContact O-CA 3.46Å; D551-R598 VanDerWaalsContact OD1-CB 3.31Å; D551-R598 WeakPolarHBondContact OD1-CB 3.23Å; S593-R598 VanDerWaalsContact CB-O 3.23Å; S593-R598 WeakPolarHBondContact CB-O 3.37Å; S593-R598 PolarHBondContact N-O 3.12Å; S596-R598 PolarHBondContact O-N 3.44Å; S596-R598 WeakPolarHBondContact OG-CD 3.35Å |
| 599 | Y | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.8 | 175.3 | -62.9 | -90.9 | 0 | 0 | 0 | 109.4 | T549 I550 T552 P556 V557 L559 L591 A592 L616 L620 | T549-Y599 CarbonylContact C-O 3.56Å; T549-Y599 WeakPolarHBondContact CA-O 3.49Å; I550-Y599 PolarHBondContact N-O 2.81Å; I550-Y599 PolarHBondContact O-N 3.26Å; T552-Y599 HydrophobicContact CG2-CD2 3.99Å; T552-Y599 HydrophobicContact CG2-CE2 3.94Å; P556-Y599 WeakPolarHBondContact CA-OH 3.42Å; V557-Y599 WeakPolarHBondContact CA-OH 3.29Å; V557-Y599 PolarHBondContact N-OH 3.08Å; V557-Y599 PolarHBondContact O-OH 3.22Å; L559-Y599 HydrophobicContact CD2-CD1 4.15Å; L559-Y599 HydrophobicContact CD2-CE1 4.02Å; L591-Y599 CarbonylContact O-C 3.46Å; L591-Y599 WeakPolarHBondContact O-CA 3.35Å; A592-Y599 HydrophobicContact CB-CD1 3.85Å; A592-Y599 HydrophobicContact CB-CE1 3.68Å; Y599-L616 HydrophobicContact CD1-CD1 4.27Å; Y599-L616 HydrophobicContact CD1-CD2 4.38Å; Y599-L616 HydrophobicContact CG-CD2 3.99Å; Y599-L620 HydrophobicContact CD2-CD1 4.08Å; Y599-L620 HydrophobicContact CE2-CD1 3.77Å; Y599-L620 HydrophobicContact CE2-CD2 4.12Å |
| 600 | R | 94.2 | Very high | 92.3 | Very high | 81 Ų | 81 | 44 Ų | 44 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.6 | 174.7 | -176.5 | 175 | -62.3 | 123.7 | 2 | 109.6 | I548 T549 V590 L591 | I548-R600 CarbonylContact O-C 3.59Å; I548-R600 VanDerWaalsContact O-CA 3.32Å; I548-R600 WeakPolarHBondContact O-CA 3.41Å; T549-R600 PolarHBondContact OG1-NE 2.75Å; V590-R600 CarbonylContact C-O 3.52Å; V590-R600 WeakPolarHBondContact CA-O 3.2Å; L591-R600 HydrophobicContact CB-CB 4.41Å; L591-R600 HydrophobicContact CD1-CB 4.38Å; L591-R600 HydrophobicContact CD1-CG 4.46Å; L591-R600 PolarHBondContact N-O 3.23Å; L591-R600 PolarHBondContact O-N 3.45Å |
| 601 | I | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.6 | 174 | -51.7 | 85.3 | 0 | 0 | 0 | 107 | K547 I548 I550 I588 T589 V590 L609 I612 T613 L616 | K547-I601 CarbonylContact C-O 3.48Å; K547-I601 WeakPolarHBondContact CA-O 3.5Å; I548-I601 PolarHBondContact N-O 2.84Å; I548-I601 PolarHBondContact O-N 2.88Å; I550-I601 HydrophobicContact CG1-CD1 4.1Å; I588-I601 HydrophobicContact CG2-CG2 3.59Å; T589-I601 CarbonylContact O-C 3.59Å; T589-I601 WeakPolarHBondContact O-CA 3.48Å; V590-I601 HydrophobicContact CG2-CG1 4.22Å; V590-I601 HydrophobicContact CG2-CG2 4.32Å; I601-L609 HydrophobicContact CB-CD2 4.42Å; I601-L609 HydrophobicContact CG2-CD2 3.79Å; I601-I612 HydrophobicContact CG2-CB 4.48Å; I601-I612 HydrophobicContact CG2-CG2 4.22Å; I601-T613 HydrophobicContact CD1-CG2 4.49Å; I601-L616 HydrophobicContact CD1-CD2 3.91Å; I601-L616 HydrophobicContact CG1-CD2 4.27Å |
| 602 | Q | 95 | Very high | 92.3 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 142.7 | -179 | 67.8 | -173.8 | 16.7 | 0 | 0 | 112.2 | S541 K542 A544 H546 K547 I588 T589 L591 | S541-Q602 PolarHBondContact O-NE2 3.4Å; K542-Q602 PolarHBondContact O-NE2 2.86Å; A544-Q602 HydrophobicContact CB-CB 4.07Å; A544-Q602 HydrophobicContact CB-CG 4.15Å; H546-Q602 WeakPolarHBondContact O-CA 3.37Å; H546-Q602 WeakPolarHBondContact O-CB 3.49Å; K547-Q602 HydrophobicContact CB-CB 4.05Å; I588-Q602 WeakPolarHBondContact CA-O 3.47Å; T589-Q602 PolarHBondContact N-O 3.26Å; T589-Q602 PolarHBondContact O-N 3.37Å; L591-Q602 HydrophobicContact CD1-CG 4.1Å |
| 603 | S | 94.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 164.8 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | A544 H546 R587 Q605 D608 | A544-S603 WeakPolarHBondContact CB-O 3.12Å; H546-S603 PolarHBondContact N-O 3.13Å; H546-S603 PolarHBondContact O-N 2.72Å; R587-S603 PolarHBondContact O-OG 2.85Å; R587-S603 VanDerWaalsContact O-OG 3.13Å; S603-Q605 WeakPolarHBondContact CB-O 3.29Å; S603-Q605 PolarHBondContact OG-N 3.37Å; S603-Q605 PolarHBondContact OG-O 2.98Å; S603-D608 PolarHBondContact OG-OD2 3.32Å |
| 604 | E | 93.7 | Very high | 92.8 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -74.9 | -30.8 | 172.5 | -64 | -55.7 | 157.5 | 0 | 0 | 112.2 | A544 S545 H546 | A544-E604 WeakPolarHBondContact CA-OE1 3.15Å; S545-E604 WeakPolarHBondContact CB-OE2 3.24Å; S545-E604 PolarHBondContact N-OE2 3.49Å; S545-E604 PolarHBondContact OG-OE2 2.8Å; H546-E604 PolarHBondContact CE1-O 2.76Å; H546-E604 VanDerWaalsContact CE1-O 3.3Å; H546-E604 PolarHBondContact ND1-O 3.39Å |
| 605 | Q | 92.8 | Very high | 93.2 | Very high | 97 Ų | 97 | 35 Ų | 35 | 45% | 0.453 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -107.2 | 150.1 | 176.1 | -55.6 | -60.8 | -32.6 | 0 | 0 | 110.9 | S603 E607 D608 | S603-Q605 WeakPolarHBondContact CB-O 3.29Å; S603-Q605 PolarHBondContact OG-N 3.37Å; S603-Q605 PolarHBondContact OG-O 2.98Å; Q605-E607 HydrophobicContact CB-CG 4.42Å; Q605-D608 WeakPolarHBondContact CB-OD2 3.35Å |
| 606 | F | 94.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -76.5 | -42.8 | -174.9 | 177.2 | -108.4 | 0 | 0 | 0 | 111.9 | I548 D608 L609 P641 E644 L648 A730 L733 V734 | I548-F606 HydrophobicContact CD1-CE2 4.13Å; F606-D608 VanDerWaalsContact C-N 3.29Å; F606-D608 PolarHBondContact O-N 2.98Å; F606-L609 HydrophobicContact CD2-CD1 4.13Å; F606-L609 WeakPolarHBondContact O-CB 3.38Å; F606-L609 WeakPolarHBondContact O-CG 3.05Å; F606-L609 PolarHBondContact O-N 3.16Å; F606-P641 HydrophobicContact CE2-CB 3.77Å; F606-P641 HydrophobicContact CE2-CG 3.36Å; F606-P641 HydrophobicContact CZ-CB 4.14Å; F606-P641 HydrophobicContact CZ-CG 3.48Å; F606-P641 VanDerWaalsContact CZ-CG 3.48Å; F606-E644 HydrophobicContact CB-CB 4.24Å; F606-E644 HydrophobicContact CD1-CB 4.41Å; F606-E644 HydrophobicContact CD2-CB 4.08Å; F606-E644 HydrophobicContact CG-CB 3.97Å; F606-L648 HydrophobicContact CD1-CD1 4.15Å; F606-A730 HydrophobicContact CD1-CB 3.81Å; F606-A730 HydrophobicContact CE1-CB 3.83Å; F606-L733 HydrophobicContact CE1-CD2 4.2Å; F606-L733 HydrophobicContact CE2-CD2 3.9Å; F606-L733 HydrophobicContact CZ-CD2 3.72Å; F606-L733 HydrophobicContact CZ-CG 4.27Å; F606-V734 HydrophobicContact CE1-CG2 4.28Å; F606-V734 HydrophobicContact CZ-CG2 4.23Å |
| 607 | E | 93.2 | Very high | 94.1 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.028 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -34.1 | -179.6 | 59.6 | -90.9 | -144 | 0 | 0 | 113.3 | Q605 L609 W610 L648 R726 A730 | Q605-E607 HydrophobicContact CB-CG 4.42Å; E607-L609 PolarHBondContact O-N 3.32Å; E607-W610 WeakPolarHBondContact O-CB 3.35Å; E607-W610 PolarHBondContact O-N 3.46Å; E607-L648 HydrophobicContact CB-CD1 4.41Å; E607-R726 HydrophobicContact CB-CB 4.21Å; E607-R726 WeakPolarHBondContact CB-O 3.37Å; E607-R726 HydrophobicContact CG-CB 3.94Å; E607-R726 HydrophobicContact CG-CG 4.06Å; E607-R726 WeakPolarHBondContact OE1-CD 3.1Å; E607-A730 HydrophobicContact CB-CB 4.45Å |
| 608 | D | 92.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 25.2 Ų | 25.2 | 6% | 0.064 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -22.6 | -179.4 | -70.8 | -27.7 | 0 | 0 | 0 | 112.9 | A586 I588 S603 Q605 F606 W610 | A586-D608 VanDerWaalsContact CB-CG 3.47Å; A586-D608 WeakPolarHBondContact CB-OD2 3.48Å; I588-D608 HydrophobicContact CD1-CB 4.19Å; I588-D608 HydrophobicContact CG1-CB 3.97Å; S603-D608 PolarHBondContact OG-OD2 3.32Å; Q605-D608 WeakPolarHBondContact CB-OD2 3.35Å; F606-D608 VanDerWaalsContact C-N 3.29Å; F606-D608 PolarHBondContact O-N 2.98Å; D608-W610 PolarHBondContact O-N 2.9Å |
| 609 | L | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -26.9 | 179.5 | -61.2 | 175.9 | 0 | 0 | 0 | 111.5 | H546 I548 I601 F606 E607 T613 L733 | H546-L609 HydrophobicContact CB-CD1 4Å; I548-L609 HydrophobicContact CD1-CB 4.28Å; I548-L609 HydrophobicContact CD1-CD1 3.67Å; I548-L609 HydrophobicContact CG1-CD1 3.98Å; I601-L609 HydrophobicContact CB-CD2 4.42Å; I601-L609 HydrophobicContact CG2-CD2 3.79Å; F606-L609 HydrophobicContact CD2-CD1 4.13Å; F606-L609 WeakPolarHBondContact O-CB 3.38Å; F606-L609 WeakPolarHBondContact O-CG 3.05Å; F606-L609 PolarHBondContact O-N 3.16Å; E607-L609 PolarHBondContact O-N 3.32Å; L609-T613 WeakPolarHBondContact O-CB 3.25Å; L609-T613 PolarHBondContact O-N 3.11Å; L609-T613 PolarHBondContact O-OG1 3.45Å; L609-L733 HydrophobicContact CB-CD2 3.74Å |
| 610 | W | 95.2 | Very high | 94.2 | Very high | 14 Ų | 14 | 23 Ų | 23 | 5% | 0.053 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.6 | -62.8 | -172.8 | 168.4 | -128.1 | 0 | 0 | 0 | 113 | S498 E607 D608 I612 T613 N614 S729 H732 L733 L736 | S498-W610 PolarHBondContact O-NE1 2.99Å; E607-W610 WeakPolarHBondContact O-CB 3.35Å; E607-W610 PolarHBondContact O-N 3.46Å; D608-W610 PolarHBondContact O-N 2.9Å; W610-I612 VanDerWaalsContact C-N 3.32Å; W610-I612 PolarHBondContact O-N 2.86Å; W610-T613 PolarHBondContact O-N 3.49Å; W610-N614 HydrophobicContact CD2-CB 4.41Å; W610-N614 HydrophobicContact CE3-CB 4.28Å; W610-N614 HydrophobicContact CH2-CB 3.93Å; W610-N614 HydrophobicContact CZ2-CB 4.02Å; W610-N614 HydrophobicContact CZ3-CB 4.06Å; W610-N614 WeakPolarHBondContact O-CB 3.32Å; W610-N614 PolarHBondContact O-N 3.41Å; W610-S729 WeakPolarHBondContact CB-O 3.07Å; W610-H732 HydrophobicContact CD2-CB 3.61Å; W610-H732 AromaticContact CE2-CG 3.92Å; W610-H732 HydrophobicContact CE3-CB 4Å; W610-H732 HydrophobicContact CG-CB 4.19Å; W610-H732 HydrophobicContact CH2-CB 3.84Å; W610-H732 HydrophobicContact CZ2-CB 3.47Å; W610-H732 VanDerWaalsContact CZ2-CB 3.47Å; W610-H732 AromaticContact CZ2-CG 3.9Å; W610-H732 HydrophobicContact CZ3-CB 4.08Å; W610-H732 WeakPolarHBondContact CZ3-O 3.32Å; W610-H732 AromaticContact NE1-CG 3.97Å; W610-L733 HydrophobicContact CB-CB 4.04Å; W610-L733 HydrophobicContact CD2-CB 4.43Å; W610-L733 VanDerWaalsContact CE3-CA 3.47Å; W610-L733 HydrophobicContact CE3-CB 3.9Å; W610-L733 HydrophobicContact CE3-CD1 4.27Å; W610-L736 HydrophobicContact CE3-CD2 4.26Å; W610-L736 HydrophobicContact CH2-CB 4.45Å; W610-L736 HydrophobicContact CH2-CD2 4.49Å; W610-L736 HydrophobicContact CZ3-CB 3.72Å; W610-L736 HydrophobicContact CZ3-CD2 3.56Å; W610-L736 HydrophobicContact CZ3-CG 4.2Å |
| 611 | L | 94 | Very high | 94.2 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | -170.7 | -71.5 | 173.1 | 0 | 0 | 0 | 112.2 | P497 L500 I534 F582 E615 | P497-L611 WeakPolarHBondContact O-CD1 3.34Å; L500-L611 HydrophobicContact CG-CD2 4.32Å; I534-L611 HydrophobicContact CD1-CD1 3.61Å; F582-L611 HydrophobicContact CE1-CD1 4.29Å; F582-L611 HydrophobicContact CE2-CD1 4.29Å; F582-L611 HydrophobicContact CZ-CB 3.94Å; F582-L611 HydrophobicContact CZ-CD1 3.84Å; L611-E615 VanDerWaalsContact O-CB 3.31Å; L611-E615 WeakPolarHBondContact O-CB 3.44Å; L611-E615 WeakPolarHBondContact O-CG 3.21Å; L611-E615 PolarHBondContact O-N 3.01Å |
| 612 | I | 95 | Very high | 94 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.5 | -37.5 | 178.5 | -59.4 | -57.7 | 0 | 0 | 0 | 111.2 | L531 F580 F582 I588 V590 I601 W610 L616 | L531-I612 HydrophobicContact CD1-CD1 4.11Å; L531-I612 HydrophobicContact CD2-CD1 3.9Å; F580-I612 HydrophobicContact CB-CD1 4.13Å; F580-I612 HydrophobicContact CD1-CD1 3.92Å; F580-I612 HydrophobicContact CD2-CD1 4.25Å; F580-I612 HydrophobicContact CD2-CG2 4.18Å; F580-I612 HydrophobicContact CE1-CD1 4.41Å; F580-I612 HydrophobicContact CE2-CG2 4.13Å; F580-I612 HydrophobicContact CG-CD1 3.83Å; F580-I612 HydrophobicContact CG-CG1 4.46Å; F582-I612 HydrophobicContact CE1-CD1 4.19Å; F582-I612 HydrophobicContact CZ-CD1 3.93Å; F582-I612 HydrophobicContact CZ-CG1 3.94Å; I588-I612 HydrophobicContact CB-CG1 4.07Å; I588-I612 HydrophobicContact CD1-CG1 4.5Å; I588-I612 HydrophobicContact CG1-CG1 4.29Å; I588-I612 HydrophobicContact CG2-CB 4.09Å; I588-I612 HydrophobicContact CG2-CG1 3.9Å; I588-I612 HydrophobicContact CG2-CG2 4.18Å; V590-I612 HydrophobicContact CG2-CG2 3.35Å; I601-I612 HydrophobicContact CG2-CB 4.48Å; I601-I612 HydrophobicContact CG2-CG2 4.22Å; W610-I612 VanDerWaalsContact C-N 3.32Å; W610-I612 PolarHBondContact O-N 2.86Å; I612-L616 WeakPolarHBondContact O-CB 3.21Å; I612-L616 PolarHBondContact O-N 3.43Å |
| 613 | T | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | I550 I601 L609 W610 L616 I617 L733 L736 | I550-T613 HydrophobicContact CD1-CG2 4.34Å; I550-T613 HydrophobicContact CG1-CG2 4.16Å; I601-T613 HydrophobicContact CD1-CG2 4.49Å; L609-T613 WeakPolarHBondContact O-CB 3.25Å; L609-T613 PolarHBondContact O-N 3.11Å; L609-T613 PolarHBondContact O-OG1 3.45Å; W610-T613 PolarHBondContact O-N 3.49Å; T613-L616 PolarHBondContact O-N 3.4Å; T613-I617 HydrophobicContact CG2-CD1 4.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.01Å; T613-I617 VanDerWaalsContact O-N 3.07Å; T613-L733 HydrophobicContact CG2-CD1 4.31Å; T613-L736 HydrophobicContact CG2-CD2 3.89Å |
| 614 | N | 95 | Very high | 93.8 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 22% | 0.219 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -50.3 | 176.3 | -172.7 | 24.5 | 0 | 0 | 0 | 111.2 | W610 L616 I617 L618 | W610-N614 HydrophobicContact CD2-CB 4.41Å; W610-N614 HydrophobicContact CE3-CB 4.28Å; W610-N614 HydrophobicContact CH2-CB 3.93Å; W610-N614 HydrophobicContact CZ2-CB 4.02Å; W610-N614 HydrophobicContact CZ3-CB 4.06Å; W610-N614 WeakPolarHBondContact O-CB 3.32Å; W610-N614 PolarHBondContact O-N 3.41Å; N614-L616 VanDerWaalsContact C-N 3.32Å; N614-L616 PolarHBondContact O-N 3.12Å; N614-I617 PolarHBondContact O-N 3.42Å; N614-L618 WeakPolarHBondContact O-CB 3.5Å; N614-L618 WeakPolarHBondContact O-CG 3.44Å; N614-L618 PolarHBondContact O-N 2.82Å |
| 615 | E | 93.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.3 | -40 | 176.5 | -81.1 | -78.9 | 151.5 | 0 | 0 | 112.9 | R528 L531 F563 L611 R619 | R528-E615 IonicContact CZ-OE1 3.75Å; R528-E615 IonicContact NE-OE1 3.84Å; R528-E615 PolarHBondContact NE-OE1 3.14Å; R528-E615 IonicContact NH2-OE1 2.83Å; R528-E615 PolarHBondContact NH2-OE1 2.9Å; R528-E615 IonicContact NH2-OE2 3.94Å; R528-E615 PolarHBondContact NH2-OE2 3.24Å; L531-E615 HydrophobicContact CB-CG 4.16Å; L531-E615 HydrophobicContact CD1-CG 4.19Å; L531-E615 HydrophobicContact CD2-CB 4.22Å; L531-E615 HydrophobicContact CD2-CG 3.96Å; L531-E615 HydrophobicContact CG-CG 4.31Å; F563-E615 HydrophobicContact CE1-CB 4.24Å; F563-E615 HydrophobicContact CZ-CB 4.47Å; L611-E615 VanDerWaalsContact O-CB 3.31Å; L611-E615 WeakPolarHBondContact O-CB 3.44Å; L611-E615 WeakPolarHBondContact O-CG 3.21Å; L611-E615 PolarHBondContact O-N 3.01Å; E615-R619 WeakPolarHBondContact O-CB 3.48Å; E615-R619 WeakPolarHBondContact O-CG 3.31Å; E615-R619 PolarHBondContact O-N 2.84Å; E615-R619 IonicContact OE2-CZ 2.7Å; E615-R619 VanDerWaalsContact OE2-CZ 3.27Å; E615-R619 IonicContact OE2-NE 2.63Å; E615-R619 PolarHBondContact OE2-NE 2.8Å; E615-R619 IonicContact OE2-NH2 3.41Å; E615-R619 PolarHBondContact OE2-NH2 2.9Å |
| 616 | L | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -48.4 | 176 | 177.7 | 68.8 | 0 | 0 | 0 | 111.1 | L562 F563 V590 Y599 I601 I612 T613 N614 L620 | L562-L616 HydrophobicContact CD1-CD1 3.89Å; F563-L616 HydrophobicContact CE2-CD1 4.03Å; F563-L616 HydrophobicContact CZ-CB 4.41Å; V590-L616 HydrophobicContact CG1-CD2 4.43Å; Y599-L616 HydrophobicContact CD1-CD1 4.27Å; Y599-L616 HydrophobicContact CD1-CD2 4.38Å; Y599-L616 HydrophobicContact CG-CD2 3.99Å; I601-L616 HydrophobicContact CD1-CD2 3.91Å; I601-L616 HydrophobicContact CG1-CD2 4.27Å; I612-L616 WeakPolarHBondContact O-CB 3.21Å; I612-L616 PolarHBondContact O-N 3.43Å; T613-L616 PolarHBondContact O-N 3.4Å; N614-L616 VanDerWaalsContact C-N 3.32Å; N614-L616 PolarHBondContact O-N 3.12Å; L616-L620 HydrophobicContact CD1-CD1 4.03Å; L616-L620 HydrophobicContact CD1-CG 4.3Å; L616-L620 HydrophobicContact CG-CD1 3.9Å; L616-L620 WeakPolarHBondContact O-CB 3.36Å; L616-L620 WeakPolarHBondContact O-CG 3.33Å; L616-L620 PolarHBondContact O-N 3.33Å |
| 617 | I | 94.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | -179.4 | -68.2 | 173 | 0 | 0 | 0 | 110.8 | T613 N614 R619 L620 Q621 L736 L740 | T613-I617 HydrophobicContact CG2-CD1 4.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.01Å; T613-I617 VanDerWaalsContact O-N 3.07Å; N614-I617 PolarHBondContact O-N 3.42Å; I617-R619 VanDerWaalsContact C-N 3.34Å; I617-R619 PolarHBondContact O-N 2.82Å; I617-L620 PolarHBondContact O-N 2.81Å; I617-Q621 HydrophobicContact CG2-CG 4.46Å; I617-Q621 WeakPolarHBondContact O-CG 3.25Å; I617-Q621 PolarHBondContact O-N 3.17Å; I617-L736 HydrophobicContact CD1-CD1 4Å; I617-L736 HydrophobicContact CD1-CD2 3.66Å; I617-L736 HydrophobicContact CD1-CG 4.24Å; I617-L740 HydrophobicContact CD1-CD1 3.82Å |
| 618 | L | 92.9 | Very high | 93.1 | Very high | 53 Ų | 53 | 45 Ų | 45 | 28% | 0.277 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 179.1 | -72.2 | 172.2 | 0 | 0 | 0 | 111.7 | N614 Q621 E622 | N614-L618 WeakPolarHBondContact O-CB 3.5Å; N614-L618 WeakPolarHBondContact O-CG 3.44Å; N614-L618 PolarHBondContact O-N 2.82Å; L618-Q621 PolarHBondContact O-N 3.26Å; L618-E622 WeakPolarHBondContact O-CB 3.39Å; L618-E622 PolarHBondContact O-N 2.75Å |
| 619 | R | 93.9 | Very high | 92.9 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.1 | -31.7 | -179.8 | -66.9 | -175.1 | -163.6 | -151 | 0.8 | 113.1 | L562 F563 E615 I617 Y623 | L562-R619 HydrophobicContact CD2-CB 4.35Å; L562-R619 WeakPolarHBondContact O-CD 3.3Å; L562-R619 PolarHBondContact O-NH1 2.78Å; F563-R619 VanDerWaalsContact CD1-NH1 3.26Å; E615-R619 WeakPolarHBondContact O-CB 3.48Å; E615-R619 WeakPolarHBondContact O-CG 3.31Å; E615-R619 PolarHBondContact O-N 2.84Å; E615-R619 IonicContact OE2-CZ 2.7Å; E615-R619 VanDerWaalsContact OE2-CZ 3.27Å; E615-R619 IonicContact OE2-NE 2.63Å; E615-R619 PolarHBondContact OE2-NE 2.8Å; E615-R619 IonicContact OE2-NH2 3.41Å; E615-R619 PolarHBondContact OE2-NH2 2.9Å; I617-R619 VanDerWaalsContact C-N 3.34Å; I617-R619 PolarHBondContact O-N 2.82Å; R619-Y623 WeakPolarHBondContact O-CB 3.46Å; R619-Y623 PolarHBondContact O-N 2.85Å |
| 620 | L | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 171.7 | -77.9 | 169.6 | 0 | 0 | 0 | 110.9 | T552 V557 L562 Y599 L616 I617 Y623 F624 F632 | T552-L620 HydrophobicContact CG2-CD1 4.45Å; V557-L620 HydrophobicContact CB-CD2 4.18Å; V557-L620 HydrophobicContact CG2-CD2 4.05Å; L562-L620 HydrophobicContact CD1-CD2 3.66Å; L562-L620 HydrophobicContact CD1-CG 4.05Å; L562-L620 HydrophobicContact CD2-CD2 4.05Å; L562-L620 HydrophobicContact CD2-CG 4.45Å; Y599-L620 HydrophobicContact CD2-CD1 4.08Å; Y599-L620 HydrophobicContact CE2-CD1 3.77Å; Y599-L620 HydrophobicContact CE2-CD2 4.12Å; L616-L620 HydrophobicContact CD1-CD1 4.03Å; L616-L620 HydrophobicContact CD1-CG 4.3Å; L616-L620 HydrophobicContact CG-CD1 3.9Å; L616-L620 WeakPolarHBondContact O-CB 3.36Å; L616-L620 WeakPolarHBondContact O-CG 3.33Å; L616-L620 PolarHBondContact O-N 3.33Å; I617-L620 PolarHBondContact O-N 2.81Å; L620-Y623 PolarHBondContact O-N 3.42Å; L620-F624 HydrophobicContact CD2-CE2 4.14Å; L620-F624 WeakPolarHBondContact O-CD2 3.41Å; L620-F624 PolarHBondContact O-N 2.95Å; L620-F632 HydrophobicContact CB-CE1 3.8Å; L620-F632 HydrophobicContact CB-CZ 3.61Å; L620-F632 HydrophobicContact CD1-CZ 4.11Å; L620-F632 HydrophobicContact CG-CZ 4.34Å |
| 621 | Q | 92.8 | Very high | 92.2 | Very high | 94 Ų | 94 | 60.3 Ų | 60.3 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.5 | -50.9 | 174.8 | -72.1 | 171.5 | -16.5 | 0 | 0 | 111 | I617 L618 Y623 F624 E625 F632 | I617-Q621 HydrophobicContact CG2-CG 4.46Å; I617-Q621 WeakPolarHBondContact O-CG 3.25Å; I617-Q621 PolarHBondContact O-N 3.17Å; L618-Q621 PolarHBondContact O-N 3.26Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 PolarHBondContact O-N 2.91Å; Q621-F624 PolarHBondContact O-N 3.28Å; Q621-E625 VanDerWaalsContact O-CB 3.26Å; Q621-E625 WeakPolarHBondContact O-CB 3.24Å; Q621-E625 PolarHBondContact O-N 3.22Å; Q621-F632 HydrophobicContact CG-CD1 4Å; Q621-F632 HydrophobicContact CG-CE1 3.93Å |
| 622 | E | 91.5 | Very high | 92 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 177.8 | -172.6 | -173.3 | 168.5 | 0 | 0 | 112.2 | L618 K626 | L618-E622 WeakPolarHBondContact O-CB 3.39Å; L618-E622 PolarHBondContact O-N 2.75Å; E622-K626 HydrophobicContact CG-CD 4.39Å; E622-K626 WeakPolarHBondContact O-CB 3.3Å; E622-K626 VanDerWaalsContact O-CG 3.29Å; E622-K626 WeakPolarHBondContact O-CG 3.3Å; E622-K626 PolarHBondContact O-N 2.65Å; E622-K626 VanDerWaalsContact OE1-CE 3.29Å; E622-K626 WeakPolarHBondContact OE1-CE 3.35Å; E622-K626 IonicContact OE1-NZ 3.77Å; E622-K626 PolarHBondContact OE1-NZ 3.33Å |
| 623 | Y | 93 | Very high | 91.8 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 30% | 0.302 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -49.1 | 177.9 | 179.5 | -88.9 | 0 | 0 | 0 | 111.7 | V557 L562 R619 L620 Q621 K626 Q627 | V557-Y623 HydrophobicContact CB-CE1 4.42Å; V557-Y623 HydrophobicContact CG1-CD1 4.02Å; V557-Y623 HydrophobicContact CG1-CD2 4.23Å; V557-Y623 HydrophobicContact CG1-CE1 3.79Å; V557-Y623 HydrophobicContact CG1-CE2 4Å; V557-Y623 HydrophobicContact CG1-CG 4.24Å; V557-Y623 HydrophobicContact CG2-CD1 3.79Å; V557-Y623 HydrophobicContact CG2-CE1 3.68Å; L562-Y623 HydrophobicContact CD2-CD2 4.48Å; L562-Y623 HydrophobicContact CD2-CG 4.29Å; R619-Y623 WeakPolarHBondContact O-CB 3.46Å; R619-Y623 PolarHBondContact O-N 2.85Å; L620-Y623 PolarHBondContact O-N 3.42Å; Q621-Y623 VanDerWaalsContact C-N 3.32Å; Q621-Y623 PolarHBondContact O-N 2.91Å; Y623-K626 PolarHBondContact O-N 3.06Å; Y623-Q627 HydrophobicContact CD1-CG 4.38Å; Y623-Q627 HydrophobicContact CE1-CG 4.02Å; Y623-Q627 WeakPolarHBondContact O-CG 3.24Å; Y623-Q627 PolarHBondContact O-N 2.98Å; Y623-Q627 VanDerWaalsContact O-N 3.1Å |
| 624 | F | 92.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 64.9 Ų | 64.9 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.6 | -33.9 | -179.5 | -78 | -60.5 | 0 | 0 | 0 | 112.5 | K554 V557 L620 Q621 Q627 G628 V629 F632 | K554-F624 HydrophobicContact CB-CE1 3.91Å; K554-F624 HydrophobicContact CB-CE2 4.09Å; K554-F624 HydrophobicContact CB-CZ 3.49Å; K554-F624 VanDerWaalsContact CB-CZ 3.49Å; K554-F624 HydrophobicContact CG-CE1 4.09Å; K554-F624 HydrophobicContact CG-CE2 4.44Å; K554-F624 HydrophobicContact CG-CZ 4.03Å; V557-F624 HydrophobicContact CG2-CE1 4.21Å; V557-F624 HydrophobicContact CG2-CE2 3.85Å; V557-F624 HydrophobicContact CG2-CZ 3.47Å; V557-F624 VanDerWaalsContact CG2-CZ 3.47Å; L620-F624 HydrophobicContact CD2-CE2 4.14Å; L620-F624 WeakPolarHBondContact O-CD2 3.41Å; L620-F624 PolarHBondContact O-N 2.95Å; Q621-F624 PolarHBondContact O-N 3.28Å; F624-Q627 CarbonylContact O-C 3.54Å; F624-Q627 PolarHBondContact O-N 2.8Å; F624-G628 PolarHBondContact O-N 2.88Å; F624-G628 VanDerWaalsContact O-N 3.13Å; F624-V629 HydrophobicContact CB-CB 4.11Å; F624-V629 HydrophobicContact CB-CG1 4.49Å; F624-V629 HydrophobicContact CD1-CB 4.11Å; F624-V629 HydrophobicContact CD1-CG1 4.22Å; F624-V629 HydrophobicContact CD1-CG2 4.24Å; F624-V629 PolarHBondContact O-N 3.36Å; F624-F632 HydrophobicContact CB-CB 4.04Å; F624-F632 HydrophobicContact CB-CG 4.22Å; F624-F632 HydrophobicContact CD2-CB 4.16Å; F624-F632 HydrophobicContact CD2-CD1 4.02Å; F624-F632 AromaticContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CE1 4.23Å; F624-F632 AromaticContact CD2-CE2 3.5Å; F624-F632 HydrophobicContact CD2-CE2 3.5Å; F624-F632 VanDerWaalsContact CD2-CE2 3.5Å; F624-F632 AromaticContact CD2-CG 3.52Å; F624-F632 HydrophobicContact CD2-CG 3.52Å; F624-F632 AromaticContact CD2-CZ 4Å; F624-F632 HydrophobicContact CD2-CZ 4Å; F624-F632 AromaticContact CE2-CD2 3.42Å; F624-F632 HydrophobicContact CE2-CD2 3.42Å; F624-F632 VanDerWaalsContact CE2-CD2 3.42Å; F624-F632 AromaticContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CG 4.19Å; F624-F632 HydrophobicContact CE2-CZ 4.07Å; F624-F632 HydrophobicContact CG-CB 4.21Å; F624-F632 HydrophobicContact CG-CD2 4.03Å; F624-F632 HydrophobicContact CG-CG 4.08Å; F624-F632 HydrophobicContact CZ-CD2 4.32Å; F624-F632 HydrophobicContact CZ-CE2 4.39Å |
| 625 | E | 90.6 | Very high | 91.6 | Very high | 154 Ų | 154 | 65 Ų | 65 | 72% | 0.72 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 172.3 | -174.5 | 174.3 | -164.5 | 0 | 0 | 111.3 | Q621 Q627 G628 | Q621-E625 VanDerWaalsContact O-CB 3.26Å; Q621-E625 WeakPolarHBondContact O-CB 3.24Å; Q621-E625 PolarHBondContact O-N 3.22Å; E625-Q627 PolarHBondContact O-N 2.56Å; E625-G628 PolarHBondContact O-N 3.33Å |
| 626 | K | 91.1 | Very high | 91.5 | Very high | 156 Ų | 156 | 65.4 Ų | 65.4 | 68% | 0.678 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.7 | -30 | 173.4 | -76.1 | 176 | -174.7 | 170.9 | 0 | 113.3 | E622 Y623 G628 | E622-K626 HydrophobicContact CG-CD 4.39Å; E622-K626 WeakPolarHBondContact O-CB 3.3Å; E622-K626 VanDerWaalsContact O-CG 3.29Å; E622-K626 WeakPolarHBondContact O-CG 3.3Å; E622-K626 PolarHBondContact O-N 2.65Å; E622-K626 VanDerWaalsContact OE1-CE 3.29Å; E622-K626 WeakPolarHBondContact OE1-CE 3.35Å; E622-K626 IonicContact OE1-NZ 3.77Å; E622-K626 PolarHBondContact OE1-NZ 3.33Å; Y623-K626 PolarHBondContact O-N 3.06Å; K626-G628 VanDerWaalsContact C-N 3.28Å |
| 627 | Q | 89.6 | Confident | 91.2 | Very high | 122 Ų | 122 | 70 Ų | 70 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -2.5 | 173.8 | -67.1 | -68.4 | -15.8 | 0 | 0 | 113.2 | Y623 F624 E625 V629 | Y623-Q627 HydrophobicContact CD1-CG 4.38Å; Y623-Q627 HydrophobicContact CE1-CG 4.02Å; Y623-Q627 WeakPolarHBondContact O-CG 3.24Å; Y623-Q627 PolarHBondContact O-N 2.98Å; Y623-Q627 VanDerWaalsContact O-N 3.1Å; F624-Q627 CarbonylContact O-C 3.54Å; F624-Q627 PolarHBondContact O-N 2.8Å; E625-Q627 PolarHBondContact O-N 2.56Å; Q627-V629 VanDerWaalsContact C-N 3.34Å; Q627-V629 HydrophobicContact CB-CG2 4.26Å |
| 628 | G | 88.9 | Confident | 90.7 | Very high | 59 Ų | 59 | 71 Ų | 71 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 13.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F624 E625 K626 | F624-G628 PolarHBondContact O-N 2.88Å; F624-G628 VanDerWaalsContact O-N 3.13Å; E625-G628 PolarHBondContact O-N 3.33Å; K626-G628 VanDerWaalsContact C-N 3.28Å |
| 629 | V | 88.5 | Confident | 90.6 | Very high | 43 Ų | 43 | 73.5 Ų | 73.5 | 26% | 0.261 | 40% | 0.4 | S | S | . | . | trans | -88.7 | 106.7 | -179.1 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | K554 F624 Q627 D631 | K554-V629 HydrophobicContact CD-CG1 4.26Å; K554-V629 VanDerWaalsContact CE-CG1 3.47Å; F624-V629 HydrophobicContact CB-CB 4.11Å; F624-V629 HydrophobicContact CB-CG1 4.49Å; F624-V629 HydrophobicContact CD1-CB 4.11Å; F624-V629 HydrophobicContact CD1-CG1 4.22Å; F624-V629 HydrophobicContact CD1-CG2 4.24Å; F624-V629 PolarHBondContact O-N 3.36Å; Q627-V629 VanDerWaalsContact C-N 3.34Å; Q627-V629 HydrophobicContact CB-CG2 4.26Å; V629-D631 WeakPolarHBondContact CG1-OD1 3.25Å | ||
| 630 | K | 86.1 | Confident | 90.4 | Very high | 209 Ų | 209 | 72.4 Ų | 72.4 | 91% | 0.909 | 40% | 0.397 | S | S | * | . | trans | -90 | -16.3 | -176.2 | -66.6 | -171.2 | 175.9 | -174 | 0 | 115.1 | ||||
| 631 | D | 89.2 | Confident | 90.4 | Very high | 95 Ų | 95 | 73.3 Ų | 73.3 | 51% | 0.508 | 40% | 0.403 | S | S | . | . | trans | -95.8 | 15 | -174.6 | 67.4 | -35.4 | 0 | 0 | 0 | 113.1 | N553 K554 V629 A633 | N553-D631 PolarHBondContact ND2-O 2.86Å; K554-D631 WeakPolarHBondContact CE-OD1 3.37Å; K554-D631 IonicContact NZ-OD1 3.55Å; K554-D631 PolarHBondContact NZ-OD1 3.37Å; K554-D631 IonicContact NZ-OD2 3.01Å; K554-D631 PolarHBondContact NZ-OD2 3.4Å; V629-D631 WeakPolarHBondContact CG1-OD1 3.25Å; D631-A633 PolarHBondContact O-N 2.89Å | ||
| 632 | F | 89.9 | Confident | 90.4 | Very high | 31 Ų | 31 | 70.3 Ų | 70.3 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | trans | -65.7 | 129.7 | 177.9 | 177 | -110 | 0 | 0 | 0 | 111.3 | T552 K554 L620 Q621 F624 C634 | T552-F632 HydrophobicContact CG2-CE2 3.95Å; T552-F632 HydrophobicContact CG2-CZ 4.04Å; K554-F632 HydrophobicContact CB-CD2 4.29Å; K554-F632 HydrophobicContact CG-CD2 3.85Å; L620-F632 HydrophobicContact CB-CE1 3.8Å; L620-F632 HydrophobicContact CB-CZ 3.61Å; L620-F632 HydrophobicContact CD1-CZ 4.11Å; L620-F632 HydrophobicContact CG-CZ 4.34Å; Q621-F632 HydrophobicContact CG-CD1 4Å; Q621-F632 HydrophobicContact CG-CE1 3.93Å; F624-F632 HydrophobicContact CB-CB 4.04Å; F624-F632 HydrophobicContact CB-CG 4.22Å; F624-F632 HydrophobicContact CD2-CB 4.16Å; F624-F632 HydrophobicContact CD2-CD1 4.02Å; F624-F632 AromaticContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CD2 3.24Å; F624-F632 HydrophobicContact CD2-CE1 4.23Å; F624-F632 AromaticContact CD2-CE2 3.5Å; F624-F632 HydrophobicContact CD2-CE2 3.5Å; F624-F632 VanDerWaalsContact CD2-CE2 3.5Å; F624-F632 AromaticContact CD2-CG 3.52Å; F624-F632 HydrophobicContact CD2-CG 3.52Å; F624-F632 AromaticContact CD2-CZ 4Å; F624-F632 HydrophobicContact CD2-CZ 4Å; F624-F632 AromaticContact CE2-CD2 3.42Å; F624-F632 HydrophobicContact CE2-CD2 3.42Å; F624-F632 VanDerWaalsContact CE2-CD2 3.42Å; F624-F632 AromaticContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CE2 3.34Å; F624-F632 HydrophobicContact CE2-CG 4.19Å; F624-F632 HydrophobicContact CE2-CZ 4.07Å; F624-F632 HydrophobicContact CG-CB 4.21Å; F624-F632 HydrophobicContact CG-CD2 4.03Å; F624-F632 HydrophobicContact CG-CG 4.08Å; F624-F632 HydrophobicContact CZ-CD2 4.32Å; F624-F632 HydrophobicContact CZ-CE2 4.39Å; F632-C634 VanDerWaalsContact CZ-SG 3.51Å | ||
| 633 | A | 90.6 | Very high | 90.5 | Very high | 49 Ų | 49 | 72.1 Ų | 72.1 | 41% | 0.405 | 40% | 0.398 | S | S | . | . | trans | -139.7 | 137 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | T552 N553 D631 | T552-A633 WeakPolarHBondContact CA-O 3.45Å; N553-A633 PolarHBondContact N-O 3.38Å; N553-A633 PolarHBondContact OD1-N 3.35Å; N553-A633 PolarHBondContact OD1-O 3.44Å; D631-A633 PolarHBondContact O-N 2.89Å | ||
| 634 | C | 92.6 | Very high | 90.6 | Very high | 20 Ų | 20 | 71.4 Ų | 71.4 | 14% | 0.135 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 145 | 166.1 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | I550 D551 F632 L740 | I550-C634 HydrophobicContact CG2-CB 3.98Å; D551-C634 CarbonylContact O-C 3.5Å; D551-C634 WeakPolarHBondContact O-CA 3.44Å; F632-C634 VanDerWaalsContact CZ-SG 3.51Å; C634-L740 HydrophobicContact CB-CD1 4.4Å; C634-L740 HydrophobicContact CB-CD2 3.72Å |
| 635 | S | 92.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 70.7 Ų | 70.7 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.5 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | D551 | D551-S635 WeakPolarHBondContact CA-O 3.41Å; D551-S635 WeakPolarHBondContact CB-O 3.34Å; D551-S635 PolarHBondContact N-O 3.21Å; D551-S635 PolarHBondContact O-N 2.86Å |
| 636 | F | 92.5 | Very high | 91 | Very high | 15 Ų | 15 | 64.3 Ų | 64.3 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | trans | -115.7 | 113.9 | 174.1 | 179.5 | -112.3 | 0 | 0 | 0 | 108.6 | I548 T549 I550 G638 S639 L737 L740 W741 | I548-F636 HydrophobicContact CG2-CD2 4.39Å; I548-F636 HydrophobicContact CG2-CE2 4.01Å; T549-F636 WeakPolarHBondContact O-CD2 3.44Å; I550-F636 HydrophobicContact CD1-CD2 4.22Å; F636-G638 VanDerWaalsContact CE1-C 3.49Å; F636-G638 WeakPolarHBondContact CE1-O 3.36Å; F636-S639 WeakPolarHBondContact CZ-O 3.29Å; F636-L737 HydrophobicContact CB-CD2 4.42Å; F636-L737 HydrophobicContact CD1-CB 4.21Å; F636-L737 HydrophobicContact CD1-CD2 4.14Å; F636-L737 HydrophobicContact CD2-CD2 3.81Å; F636-L737 HydrophobicContact CE1-CB 4.42Å; F636-L737 HydrophobicContact CE1-CD1 4.5Å; F636-L737 HydrophobicContact CE1-CD2 4.33Å; F636-L737 HydrophobicContact CE2-CD2 4.03Å; F636-L737 HydrophobicContact CG-CD2 3.86Å; F636-L737 HydrophobicContact CZ-CD1 4.46Å; F636-L737 HydrophobicContact CZ-CD2 4.29Å; F636-L740 HydrophobicContact CB-CB 3.92Å; F636-L740 PolarHBondContact N-O 3.44Å; F636-W741 HydrophobicContact CD1-CB 4.34Å | ||
| 637 | S | 88.3 | Confident | 91.3 | Very high | 96 Ų | 96 | 62 Ų | 62 | 67% | 0.671 | 36% | 0.356 | S | S | * | . | trans | -94.9 | -6.6 | -178.7 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | D551 | D551-S637 WeakPolarHBondContact OD2-CB 3.42Å; D551-S637 PolarHBondContact OD2-OG 3.04Å | ||
| 638 | G | 84.4 | Confident | 91.6 | Very high | 31 Ų | 31 | 57.2 Ų | 57.2 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -77.5 | 170.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F636 | F636-G638 VanDerWaalsContact CE1-C 3.49Å; F636-G638 WeakPolarHBondContact CE1-O 3.36Å |
| 639 | S | 89.1 | Confident | 92 | Very high | 106 Ų | 106 | 54.4 Ų | 54.4 | 74% | 0.741 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 141.6 | 164.5 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | F636 | F636-S639 WeakPolarHBondContact CZ-O 3.29Š|
| 640 | I | 91.5 | Very high | 92.4 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 128.2 | 173 | -61 | 162.6 | 0 | 0 | 0 | 108.2 | L642 V734 I738 W741 C816 | I640-L642 HydrophobicContact CB-CG 4.37Å; I640-L642 HydrophobicContact CG2-CD2 3.78Å; I640-L642 HydrophobicContact CG2-CG 4.03Å; I640-L642 PolarHBondContact O-N 3.06Å; I640-V734 HydrophobicContact CG2-CG1 4.16Å; I640-I738 HydrophobicContact CD1-CD1 4.4Å; I640-I738 HydrophobicContact CD1-CG1 3.49Å; I640-I738 VanDerWaalsContact CD1-CG1 3.49Å; I640-I738 HydrophobicContact CG1-CG1 4.3Å; I640-W741 HydrophobicContact CD1-CD2 4.29Å; I640-W741 HydrophobicContact CD1-CE3 3.45Å; I640-W741 VanDerWaalsContact CD1-CE3 3.45Å; I640-W741 HydrophobicContact CD1-CH2 4.36Å; I640-W741 HydrophobicContact CD1-CZ3 3.5Å; I640-W741 HydrophobicContact CG1-CE3 4.17Å; I640-W741 HydrophobicContact CG1-CZ3 4.47Å; I640-C816 HydrophobicContact CD1-CB 4.14Å |
| 641 | P | 92.2 | Very high | 92.9 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 13% | 0.13 | 28% | 0.28 | C | S | . | . | trans | -74.1 | 71 | -179.4 | 31 | -35.6 | 0 | 0 | 0 | 111 | F606 E644 Y645 L737 | F606-P641 HydrophobicContact CE2-CB 3.77Å; F606-P641 HydrophobicContact CE2-CG 3.36Å; F606-P641 HydrophobicContact CZ-CB 4.14Å; F606-P641 HydrophobicContact CZ-CG 3.48Å; F606-P641 VanDerWaalsContact CZ-CG 3.48Å; P641-E644 WeakPolarHBondContact CA-OE2 3.45Å; P641-E644 VanDerWaalsContact CB-OE2 3.26Å; P641-E644 WeakPolarHBondContact CB-OE2 3.19Å; P641-Y645 WeakPolarHBondContact O-CB 3.23Å; P641-Y645 PolarHBondContact O-N 3.07Å; P641-L737 HydrophobicContact CG-CD1 3.86Å | ||
| 642 | L | 93.5 | Very high | 93.2 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -28.9 | -178 | -69 | 178.9 | 0 | 0 | 0 | 112.5 | I640 Y645 F646 I812 T813 | I640-L642 HydrophobicContact CB-CG 4.37Å; I640-L642 HydrophobicContact CG2-CD2 3.78Å; I640-L642 HydrophobicContact CG2-CG 4.03Å; I640-L642 PolarHBondContact O-N 3.06Å; L642-Y645 PolarHBondContact O-N 3.25Å; L642-F646 HydrophobicContact CB-CE2 4.09Å; L642-F646 HydrophobicContact CB-CZ 4.08Å; L642-F646 HydrophobicContact CD1-CZ 4.47Å; L642-F646 HydrophobicContact CD2-CE1 4.39Å; L642-F646 HydrophobicContact CD2-CZ 4.32Å; L642-F646 VanDerWaalsContact O-CB 3.31Å; L642-F646 WeakPolarHBondContact O-CB 3.41Å; L642-F646 VanDerWaalsContact O-CD1 3.32Å; L642-F646 WeakPolarHBondContact O-CD1 3.22Å; L642-F646 VanDerWaalsContact O-CD2 3.31Å; L642-F646 WeakPolarHBondContact O-CD2 3.21Å; L642-F646 WeakPolarHBondContact O-CG 3.3Å; L642-F646 PolarHBondContact O-N 2.81Å; L642-I812 HydrophobicContact CD2-CG2 3.95Å; L642-T813 HydrophobicContact CD1-CG2 4.45Å |
| 643 | Q | 94.1 | Very high | 93.5 | Very high | 121 Ų | 121 | 43.4 Ų | 43.4 | 57% | 0.565 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -68.3 | -50.2 | -176 | 179.4 | 59 | 34.5 | 0 | 0 | 110.9 | Y645 F646 E647 | Q643-Y645 VanDerWaalsContact C-N 3.27Å; Q643-Y645 PolarHBondContact O-N 3.26Å; Q643-F646 PolarHBondContact O-N 2.88Å; Q643-E647 PolarHBondContact NE2-OE1 2.98Å; Q643-E647 PolarHBondContact O-N 2.92Å; Q643-E647 VanDerWaalsContact O-N 3.09Å |
| 644 | E | 93.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 29% | 0.29 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 177.6 | -58.1 | 81.5 | 174.9 | 0 | 0 | 111 | F606 P641 E647 | F606-E644 HydrophobicContact CB-CB 4.24Å; F606-E644 HydrophobicContact CD1-CB 4.41Å; F606-E644 HydrophobicContact CD2-CB 4.08Å; F606-E644 HydrophobicContact CG-CB 3.97Å; P641-E644 WeakPolarHBondContact CA-OE2 3.45Å; P641-E644 VanDerWaalsContact CB-OE2 3.26Å; P641-E644 WeakPolarHBondContact CB-OE2 3.19Å; E644-E647 PolarHBondContact O-N 3.18Å |
| 645 | Y | 96 | Very high | 94 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.5 | -179 | -132.6 | 0 | 0 | 0 | 112.3 | P641 L642 Q643 E647 L648 I649 L727 A730 T731 V734 W768 I812 | P641-Y645 WeakPolarHBondContact O-CB 3.23Å; P641-Y645 PolarHBondContact O-N 3.07Å; L642-Y645 PolarHBondContact O-N 3.25Å; Q643-Y645 VanDerWaalsContact C-N 3.27Å; Q643-Y645 PolarHBondContact O-N 3.26Å; Y645-E647 VanDerWaalsContact C-N 3.3Å; Y645-E647 PolarHBondContact O-N 3.08Å; Y645-L648 PolarHBondContact O-N 2.98Å; Y645-I649 HydrophobicContact CD1-CD1 4.13Å; Y645-I649 HydrophobicContact CE1-CD1 3.81Å; Y645-I649 HydrophobicContact CE2-CD1 4.43Å; Y645-I649 HydrophobicContact CE2-CG1 4.43Å; Y645-I649 PolarHBondContact O-N 2.79Å; Y645-L727 HydrophobicContact CD2-CD1 4.29Å; Y645-L727 HydrophobicContact CE2-CD1 3.71Å; Y645-A730 HydrophobicContact CD2-CB 3.97Å; Y645-A730 HydrophobicContact CE2-CB 4.27Å; Y645-T731 VanDerWaalsContact CE2-OG1 3.25Å; Y645-T731 WeakPolarHBondContact CE2-OG1 3.47Å; Y645-T731 WeakPolarHBondContact OH-CG2 3.39Å; Y645-T731 PolarHBondContact OH-OG1 3.42Å; Y645-V734 HydrophobicContact CD1-CG1 4.5Å; Y645-V734 HydrophobicContact CD1-CG2 4.05Å; Y645-V734 HydrophobicContact CD2-CG2 4.08Å; Y645-V734 HydrophobicContact CE1-CG1 4.43Å; Y645-V734 HydrophobicContact CE1-CG2 4.45Å; Y645-V734 HydrophobicContact CE2-CG2 4.5Å; Y645-V734 HydrophobicContact CG-CG2 3.83Å; Y645-W768 VanDerWaalsContact OH-CH2 3.23Å; Y645-W768 WeakPolarHBondContact OH-CH2 3.35Å; Y645-W768 VanDerWaalsContact OH-CZ2 3.27Å; Y645-W768 WeakPolarHBondContact OH-CZ2 3.31Å; Y645-I812 HydrophobicContact CE1-CD1 4.16Å |
| 646 | F | 97.2 | Very high | 94.1 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.5 | -29.6 | 179.1 | -68.6 | -12.1 | 0 | 0 | 0 | 113 | L642 Q643 L648 I649 D650 K809 I812 | L642-F646 HydrophobicContact CB-CE2 4.09Å; L642-F646 HydrophobicContact CB-CZ 4.08Å; L642-F646 HydrophobicContact CD1-CZ 4.47Å; L642-F646 HydrophobicContact CD2-CE1 4.39Å; L642-F646 HydrophobicContact CD2-CZ 4.32Å; L642-F646 VanDerWaalsContact O-CB 3.31Å; L642-F646 WeakPolarHBondContact O-CB 3.41Å; L642-F646 VanDerWaalsContact O-CD1 3.32Å; L642-F646 WeakPolarHBondContact O-CD1 3.22Å; L642-F646 VanDerWaalsContact O-CD2 3.31Å; L642-F646 WeakPolarHBondContact O-CD2 3.21Å; L642-F646 WeakPolarHBondContact O-CG 3.3Å; L642-F646 PolarHBondContact O-N 2.81Å; Q643-F646 PolarHBondContact O-N 2.88Å; F646-L648 VanDerWaalsContact C-N 3.31Å; F646-L648 PolarHBondContact O-N 3.32Å; F646-I649 HydrophobicContact CD1-CD1 3.91Å; F646-I649 HydrophobicContact CE1-CD1 4.42Å; F646-I649 PolarHBondContact O-N 3.04Å; F646-D650 WeakPolarHBondContact O-CB 3.12Å; F646-D650 PolarHBondContact O-N 2.86Å; F646-K809 HydrophobicContact CB-CD 4.01Å; F646-K809 HydrophobicContact CB-CG 4.32Å; F646-K809 HydrophobicContact CD1-CB 4.44Å; F646-K809 HydrophobicContact CD1-CD 4.42Å; F646-K809 HydrophobicContact CD1-CG 3.81Å; F646-K809 HydrophobicContact CD2-CB 4.13Å; F646-K809 HydrophobicContact CD2-CD 3.84Å; F646-K809 HydrophobicContact CD2-CG 3.88Å; F646-K809 HydrophobicContact CE1-CB 4.17Å; F646-K809 HydrophobicContact CE1-CG 4.01Å; F646-K809 HydrophobicContact CE2-CB 3.85Å; F646-K809 HydrophobicContact CE2-CD 4.41Å; F646-K809 HydrophobicContact CE2-CG 4.09Å; F646-K809 HydrophobicContact CG-CB 4.41Å; F646-K809 HydrophobicContact CG-CD 3.84Å; F646-K809 HydrophobicContact CG-CG 3.73Å; F646-K809 HydrophobicContact CZ-CB 3.86Å; F646-K809 HydrophobicContact CZ-CG 4.14Å; F646-K809 WeakPolarHBondContact CZ-O 3.4Å; F646-I812 HydrophobicContact CE1-CB 4.16Å; F646-I812 HydrophobicContact CE1-CD1 4.14Å; F646-I812 HydrophobicContact CE1-CG2 3.98Å; F646-I812 HydrophobicContact CZ-CB 4.34Å; F646-I812 HydrophobicContact CZ-CG2 4.26Å |
| 647 | E | 96.1 | Very high | 94.2 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 172.8 | -72.6 | 172 | -166.3 | 0 | 0 | 111.8 | Q643 E644 Y645 D650 H651 | Q643-E647 PolarHBondContact NE2-OE1 2.98Å; Q643-E647 PolarHBondContact O-N 2.92Å; Q643-E647 VanDerWaalsContact O-N 3.09Å; E644-E647 PolarHBondContact O-N 3.18Å; Y645-E647 VanDerWaalsContact C-N 3.3Å; Y645-E647 PolarHBondContact O-N 3.08Å; E647-D650 PolarHBondContact O-N 2.91Å; E647-H651 WeakPolarHBondContact O-CB 3.41Å; E647-H651 PolarHBondContact O-N 3.14Å |
| 648 | L | 95.9 | Very high | 94.5 | Very high | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 174.2 | -67.4 | 172.2 | 0 | 0 | 0 | 112.4 | F606 E607 Y645 F646 H652 L727 A730 | F606-L648 HydrophobicContact CD1-CD1 4.15Å; E607-L648 HydrophobicContact CB-CD1 4.41Å; Y645-L648 PolarHBondContact O-N 2.98Å; F646-L648 VanDerWaalsContact C-N 3.31Å; F646-L648 PolarHBondContact O-N 3.32Å; L648-H652 VanDerWaalsContact O-CB 3.31Å; L648-H652 WeakPolarHBondContact O-CB 3.49Å; L648-H652 PolarHBondContact O-N 3Å; L648-L727 HydrophobicContact CB-CD1 4Å; L648-A730 HydrophobicContact CD1-CB 3.35Å |
| 649 | I | 97 | Very high | 95 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.3 | -63.9 | 179 | 0 | 0 | 0 | 110.4 | Y645 F646 H652 F653 L727 W768 T805 L808 I812 | Y645-I649 HydrophobicContact CD1-CD1 4.13Å; Y645-I649 HydrophobicContact CE1-CD1 3.81Å; Y645-I649 HydrophobicContact CE2-CD1 4.43Å; Y645-I649 HydrophobicContact CE2-CG1 4.43Å; Y645-I649 PolarHBondContact O-N 2.79Å; F646-I649 HydrophobicContact CD1-CD1 3.91Å; F646-I649 HydrophobicContact CE1-CD1 4.42Å; F646-I649 PolarHBondContact O-N 3.04Å; I649-H652 PolarHBondContact O-N 2.76Å; I649-F653 WeakPolarHBondContact O-CB 3.39Å; I649-F653 PolarHBondContact O-N 2.91Å; I649-L727 HydrophobicContact CG1-CD1 3.65Å; I649-W768 HydrophobicContact CB-CZ3 4.44Å; I649-W768 HydrophobicContact CD1-CH2 3.75Å; I649-W768 HydrophobicContact CD1-CZ3 3.8Å; I649-W768 HydrophobicContact CG1-CH2 3.88Å; I649-W768 HydrophobicContact CG1-CZ3 3.67Å; I649-W768 HydrophobicContact CG2-CZ3 4.1Å; I649-T805 HydrophobicContact CG2-CG2 3.92Å; I649-L808 HydrophobicContact CG2-CD2 4.05Å; I649-I812 HydrophobicContact CD1-CD1 3.87Å |
| 650 | D | 97.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 178.8 | -75.8 | -30.9 | 0 | 0 | 0 | 111.8 | F646 E647 H652 F653 E654 T805 K809 | F646-D650 WeakPolarHBondContact O-CB 3.12Å; F646-D650 PolarHBondContact O-N 2.86Å; E647-D650 PolarHBondContact O-N 2.91Å; D650-H652 VanDerWaalsContact C-N 3.32Å; D650-H652 PolarHBondContact O-N 3.25Å; D650-F653 PolarHBondContact O-N 3.49Å; D650-E654 WeakPolarHBondContact O-CB 3.49Å; D650-E654 VanDerWaalsContact O-CG 3.29Å; D650-E654 WeakPolarHBondContact O-CG 3.32Å; D650-E654 PolarHBondContact O-N 2.82Å; D650-T805 PolarHBondContact OD1-OG1 2.82Å; D650-K809 WeakPolarHBondContact OD1-CE 3.43Å; D650-K809 IonicContact OD1-NZ 2.62Å; D650-K809 PolarHBondContact OD1-NZ 3.25Å; D650-K809 IonicContact OD2-NZ 2.63Å; D650-K809 PolarHBondContact OD2-NZ 3.42Å |
| 651 | H | 96.6 | Very high | 95.5 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 40% | 0.398 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.4 | -175.5 | 53.7 | 0 | 0 | 0 | 112.3 | E647 E654 L655 S723 | E647-H651 WeakPolarHBondContact O-CB 3.41Å; E647-H651 PolarHBondContact O-N 3.14Å; H651-E654 PolarHBondContact O-N 2.77Å; H651-L655 PolarHBondContact O-N 3.17Å; H651-L655 VanDerWaalsContact O-N 3.16Å; H651-S723 PolarHBondContact CD2-OG 3.13Å |
| 652 | H | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 175.5 | -179.4 | -97.3 | 0 | 0 | 0 | 111.8 | L648 I649 D650 E654 L655 R656 S723 F724 L727 D762 E769 | L648-H652 VanDerWaalsContact O-CB 3.31Å; L648-H652 WeakPolarHBondContact O-CB 3.49Å; L648-H652 PolarHBondContact O-N 3Å; I649-H652 PolarHBondContact O-N 2.76Å; D650-H652 VanDerWaalsContact C-N 3.32Å; D650-H652 PolarHBondContact O-N 3.25Å; H652-E654 VanDerWaalsContact C-N 3.34Å; H652-E654 PolarHBondContact O-N 3.43Å; H652-L655 PolarHBondContact O-N 3.36Å; H652-R656 PolarHBondContact O-N 3.49Å; H652-R656 VanDerWaalsContact O-N 3.08Å; H652-S723 WeakPolarHBondContact CA-OG 3.42Å; H652-F724 AromaticContact NE2-CD2 3.64Å; H652-L727 HydrophobicContact CB-CD2 3.92Å; H652-D762 IonicContact CE1-OD1 3.26Å; H652-D762 PolarHBondContact CE1-OD1 2.94Å; H652-D762 IonicContact CE1-OD2 3.67Å; H652-D762 PolarHBondContact CE1-OD2 2.79Å; H652-D762 VanDerWaalsContact CE1-OD2 3.26Å; H652-D762 IonicContact NE2-OD1 3.93Å; H652-D762 IonicContact NE2-OD2 3.97Å; H652-D762 PolarHBondContact NE2-OD2 3.41Å; H652-E769 IonicContact CE1-OE1 3.65Å; H652-E769 IonicContact CE1-OE2 3.21Å; H652-E769 IonicContact CG-OE1 3.47Å; H652-E769 IonicContact ND1-OE1 3.84Å; H652-E769 PolarHBondContact ND1-OE1 2.86Å; H652-E769 IonicContact ND1-OE2 3.84Å |
| 653 | F | 96.2 | Very high | 95.8 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | 179.3 | -175.5 | -105.9 | 0 | 0 | 0 | 112.6 | I649 D650 L655 R656 I657 E769 I801 P802 T805 | I649-F653 WeakPolarHBondContact O-CB 3.39Å; I649-F653 PolarHBondContact O-N 2.91Å; D650-F653 PolarHBondContact O-N 3.49Å; F653-L655 VanDerWaalsContact C-N 3.34Å; F653-L655 PolarHBondContact O-N 2.7Å; F653-R656 WeakPolarHBondContact O-CB 3.34Å; F653-R656 PolarHBondContact O-N 3.47Å; F653-I657 HydrophobicContact CD1-CG1 4.13Å; F653-I657 HydrophobicContact CE1-CD1 4.17Å; F653-I657 HydrophobicContact CE1-CG1 3.64Å; F653-I657 HydrophobicContact CE2-CD1 4.15Å; F653-I657 HydrophobicContact CE2-CG1 4.12Å; F653-I657 HydrophobicContact CZ-CD1 3.68Å; F653-I657 HydrophobicContact CZ-CG1 3.63Å; F653-I657 WeakPolarHBondContact O-CG1 3.48Å; F653-I657 PolarHBondContact O-N 3.06Å; F653-E769 WeakPolarHBondContact CA-OE1 3.37Å; F653-E769 WeakPolarHBondContact CB-OE1 3.49Å; F653-E769 HydrophobicContact CD2-CG 4.22Å; F653-E769 PolarHBondContact N-OE1 2.83Å; F653-I801 HydrophobicContact CE2-CG1 4.2Å; F653-P802 HydrophobicContact CD2-CG 4.36Å; F653-P802 HydrophobicContact CE2-CG 3.72Å; F653-P802 WeakPolarHBondContact CE2-O 3.25Å; F653-P802 HydrophobicContact CZ-CG 4.41Å; F653-P802 WeakPolarHBondContact CZ-O 3.33Å; F653-T805 HydrophobicContact CB-CG2 3.44Å; F653-T805 VanDerWaalsContact CB-CG2 3.44Å; F653-T805 HydrophobicContact CD1-CG2 3.72Å; F653-T805 HydrophobicContact CD2-CG2 4.12Å; F653-T805 HydrophobicContact CG-CG2 3.48Å; F653-T805 VanDerWaalsContact CG-CG2 3.48Å |
| 654 | E | 96.5 | Very high | 95.9 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 174 | -77.8 | 176.1 | 178.9 | 0 | 0 | 112 | D650 H651 H652 R656 I657 N658 | D650-E654 WeakPolarHBondContact O-CB 3.49Å; D650-E654 VanDerWaalsContact O-CG 3.29Å; D650-E654 WeakPolarHBondContact O-CG 3.32Å; D650-E654 PolarHBondContact O-N 2.82Å; H651-E654 PolarHBondContact O-N 2.77Å; H652-E654 VanDerWaalsContact C-N 3.34Å; H652-E654 PolarHBondContact O-N 3.43Å; E654-R656 VanDerWaalsContact C-N 3.34Å; E654-I657 PolarHBondContact O-N 2.86Å; E654-N658 WeakPolarHBondContact O-CB 3.46Å; E654-N658 PolarHBondContact O-N 2.88Å; E654-N658 PolarHBondContact O-ND2 3.43Å |
| 655 | L | 96.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -36.2 | 175.7 | -73.2 | 169.1 | 0 | 0 | 0 | 112.2 | H651 H652 F653 N658 G659 N716 N719 L720 | H651-L655 PolarHBondContact O-N 3.17Å; H651-L655 VanDerWaalsContact O-N 3.16Å; H652-L655 PolarHBondContact O-N 3.36Å; F653-L655 VanDerWaalsContact C-N 3.34Å; F653-L655 PolarHBondContact O-N 2.7Å; L655-N658 PolarHBondContact O-N 2.87Å; L655-G659 PolarHBondContact O-N 3.34Å; L655-N716 PolarHBondContact O-ND2 3.41Å; L655-N716 PolarHBondContact O-OD1 3.48Å; L655-N719 HydrophobicContact CD1-CB 4.3Å; L655-N719 HydrophobicContact CD2-CB 4.04Å; L655-L720 HydrophobicContact CB-CB 4.26Å; L655-L720 HydrophobicContact CB-CD1 3.89Å |
| 656 | R | 94.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 52 Ų | 52 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 173.8 | -68.9 | -176.1 | 61.5 | 154 | 0.8 | 112.2 | H652 F653 E654 N658 G659 E660 L720 D762 E769 E770 | H652-R656 PolarHBondContact O-N 3.49Å; H652-R656 VanDerWaalsContact O-N 3.08Å; F653-R656 WeakPolarHBondContact O-CB 3.34Å; F653-R656 PolarHBondContact O-N 3.47Å; E654-R656 VanDerWaalsContact C-N 3.34Å; R656-N658 VanDerWaalsContact C-N 3.28Å; R656-N658 PolarHBondContact O-N 2.63Å; R656-G659 WeakPolarHBondContact O-CA 3.43Å; R656-G659 PolarHBondContact O-N 3.15Å; R656-G659 VanDerWaalsContact O-N 3.1Å; R656-E660 PolarHBondContact O-N 3.39Å; R656-L720 HydrophobicContact CG-CD1 3.49Å; R656-L720 VanDerWaalsContact CG-CD1 3.49Å; R656-L720 HydrophobicContact CG-CD2 4.01Å; R656-L720 HydrophobicContact CG-CG 4.41Å; R656-D762 IonicContact CZ-OD1 3.62Å; R656-D762 IonicContact NH1-OD1 3.63Å; R656-D762 PolarHBondContact NH1-OD1 3.13Å; R656-E769 WeakPolarHBondContact CD-OE2 3.15Å; R656-E769 IonicContact CZ-OE2 2.87Å; R656-E769 IonicContact NE-OE2 3.36Å; R656-E769 IonicContact NH1-OE2 2.91Å; R656-E769 PolarHBondContact NH1-OE2 3.07Å; R656-E770 IonicContact CZ-OE1 3.61Å; R656-E770 IonicContact CZ-OE2 3.71Å; R656-E770 IonicContact NH1-OE1 3.52Å; R656-E770 IonicContact NH1-OE2 2.85Å; R656-E770 PolarHBondContact NH1-OE2 2.81Å; R656-E770 IonicContact NH2-OE1 3.61Å; R656-E770 PolarHBondContact NH2-OE1 2.67Å; R656-E770 IonicContact NH2-OE2 3.55Å; R656-E770 PolarHBondContact NH2-OE2 2.87Å |
| 657 | I | 94.5 | Very high | 96.1 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 178.6 | -66.4 | -63.1 | 0 | 0 | 0 | 111.5 | F653 E654 K661 I801 | F653-I657 HydrophobicContact CD1-CG1 4.13Å; F653-I657 HydrophobicContact CE1-CD1 4.17Å; F653-I657 HydrophobicContact CE1-CG1 3.64Å; F653-I657 HydrophobicContact CE2-CD1 4.15Å; F653-I657 HydrophobicContact CE2-CG1 4.12Å; F653-I657 HydrophobicContact CZ-CD1 3.68Å; F653-I657 HydrophobicContact CZ-CG1 3.63Å; F653-I657 WeakPolarHBondContact O-CG1 3.48Å; F653-I657 PolarHBondContact O-N 3.06Å; E654-I657 PolarHBondContact O-N 2.86Å; I657-K661 HydrophobicContact CG2-CD 4.32Å; I657-K661 VanDerWaalsContact O-CG 3.3Å; I657-K661 WeakPolarHBondContact O-CG 3.46Å; I657-K661 PolarHBondContact O-N 3.39Å; I657-K661 VanDerWaalsContact O-N 3.1Å; I657-I801 HydrophobicContact CD1-CD1 3.95Å |
| 658 | N | 95.7 | Very high | 96.2 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 172.8 | -71.2 | -22.2 | 0 | 0 | 0 | 111.6 | E654 L655 R656 K661 L662 | E654-N658 WeakPolarHBondContact O-CB 3.46Å; E654-N658 PolarHBondContact O-N 2.88Å; E654-N658 PolarHBondContact O-ND2 3.43Å; L655-N658 PolarHBondContact O-N 2.87Å; R656-N658 VanDerWaalsContact C-N 3.28Å; R656-N658 PolarHBondContact O-N 2.63Å; N658-K661 PolarHBondContact O-N 3.44Å; N658-L662 WeakPolarHBondContact O-CB 3.49Å; N658-L662 VanDerWaalsContact O-CG 3.29Å; N658-L662 WeakPolarHBondContact O-CG 3.49Å; N658-L662 PolarHBondContact O-N 3.22Å |
| 659 | G | 94.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L655 R656 K661 L662 E663 N716 | L655-G659 PolarHBondContact O-N 3.34Å; R656-G659 WeakPolarHBondContact O-CA 3.43Å; R656-G659 PolarHBondContact O-N 3.15Å; R656-G659 VanDerWaalsContact O-N 3.1Å; G659-K661 PolarHBondContact O-N 2.83Å; G659-L662 PolarHBondContact O-N 3.27Å; G659-L662 VanDerWaalsContact O-N 3.14Å; G659-E663 WeakPolarHBondContact O-CG 3.05Å; G659-E663 PolarHBondContact O-N 3.27Å; G659-N716 WeakPolarHBondContact CA-ND2 3.39Å; G659-N716 PolarHBondContact N-ND2 3.19Å |
| 660 | E | 94 | Very high | 96.2 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.5 | -46 | 177.6 | -172.1 | 179.2 | -159.8 | 0 | 0 | 111.7 | R656 L662 E663 E664 | R656-E660 PolarHBondContact O-N 3.39Å; E660-L662 PolarHBondContact O-N 2.77Å; E660-E663 PolarHBondContact O-N 3.31Å; E660-E664 WeakPolarHBondContact O-CG 3.45Å; E660-E664 PolarHBondContact O-N 2.89Å |
| 661 | K | 95.8 | Very high | 96.2 | Very high | 110 Ų | 110 | 59.8 Ų | 59.8 | 48% | 0.478 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.1 | -71.3 | 168.8 | -173.2 | 165 | 0 | 113 | I657 N658 G659 L665 | I657-K661 HydrophobicContact CG2-CD 4.32Å; I657-K661 VanDerWaalsContact O-CG 3.3Å; I657-K661 WeakPolarHBondContact O-CG 3.46Å; I657-K661 PolarHBondContact O-N 3.39Å; I657-K661 VanDerWaalsContact O-N 3.1Å; N658-K661 PolarHBondContact O-N 3.44Å; G659-K661 PolarHBondContact O-N 2.83Å; K661-L665 VanDerWaalsContact O-CG 3.3Å; K661-L665 WeakPolarHBondContact O-CG 3.45Å; K661-L665 PolarHBondContact O-N 2.8Å |
| 662 | L | 96.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 177.8 | -73.7 | 170.5 | 0 | 0 | 0 | 111 | N658 G659 E660 L665 L666 L709 A712 V713 N716 | N658-L662 WeakPolarHBondContact O-CB 3.49Å; N658-L662 VanDerWaalsContact O-CG 3.29Å; N658-L662 WeakPolarHBondContact O-CG 3.49Å; N658-L662 PolarHBondContact O-N 3.22Å; G659-L662 PolarHBondContact O-N 3.27Å; G659-L662 VanDerWaalsContact O-N 3.14Å; E660-L662 PolarHBondContact O-N 2.77Å; L662-L665 PolarHBondContact O-N 2.92Å; L662-L666 VanDerWaalsContact O-CB 3.31Å; L662-L666 WeakPolarHBondContact O-CB 3.42Å; L662-L666 PolarHBondContact O-N 2.85Å; L662-L709 HydrophobicContact CD2-CD2 4.13Å; L662-A712 HydrophobicContact CD1-CB 4.37Å; L662-A712 HydrophobicContact CD2-CB 4.22Å; L662-V713 HydrophobicContact CB-CG2 3.65Å; L662-N716 HydrophobicContact CD1-CB 3.94Å |
| 663 | E | 95.7 | Very high | 96.2 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.6 | -72.9 | -175.1 | 177.1 | 0 | 0 | 112 | G659 E660 L666 S667 V713 Q764 | G659-E663 WeakPolarHBondContact O-CG 3.05Å; G659-E663 PolarHBondContact O-N 3.27Å; E660-E663 PolarHBondContact O-N 3.31Å; E663-L666 PolarHBondContact O-N 3.45Å; E663-S667 WeakPolarHBondContact O-CB 2.93Å; E663-S667 PolarHBondContact O-N 2.95Å; E663-V713 HydrophobicContact CG-CG1 4.43Å; E663-V713 HydrophobicContact CG-CG2 4.42Å; E663-Q764 PolarHBondContact OE1-NE2 3.09Å; E663-Q764 PolarHBondContact OE2-NE2 2.82Å |
| 664 | E | 96.1 | Very high | 96.2 | Very high | 121 Ų | 121 | 67.4 Ų | 67.4 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60 | -48 | 172.2 | -75.2 | -170.3 | 143 | 0 | 0 | 111.6 | E660 L666 S667 E668 | E660-E664 WeakPolarHBondContact O-CG 3.45Å; E660-E664 PolarHBondContact O-N 2.89Å; E664-L666 VanDerWaalsContact C-N 3.33Å; E664-L666 PolarHBondContact O-N 3.36Å; E664-S667 WeakPolarHBondContact O-CB 3.27Å; E664-S667 PolarHBondContact O-N 2.82Å; E664-E668 WeakPolarHBondContact O-CG 3.35Å; E664-E668 PolarHBondContact O-N 2.84Å |
| 665 | L | 97.3 | Very high | 96.1 | Very high | 70 Ų | 70 | 64.8 Ų | 64.8 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.3 | -73.9 | 168.5 | 0 | 0 | 0 | 112.1 | K661 L662 S667 E668 R669 L709 | K661-L665 VanDerWaalsContact O-CG 3.3Å; K661-L665 WeakPolarHBondContact O-CG 3.45Å; K661-L665 PolarHBondContact O-N 2.8Å; L662-L665 PolarHBondContact O-N 2.92Å; L665-S667 VanDerWaalsContact C-N 3.35Å; L665-E668 PolarHBondContact O-N 2.83Å; L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 2.84Å; L665-L709 HydrophobicContact CB-CD1 4.14Å; L665-L709 HydrophobicContact CB-CD2 4.07Å |
| 666 | L | 97.4 | Very high | 96 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.5 | -179.5 | 60.2 | 0 | 0 | 0 | 110.6 | L662 E663 E664 R669 A670 V706 L709 V713 | L662-L666 VanDerWaalsContact O-CB 3.31Å; L662-L666 WeakPolarHBondContact O-CB 3.42Å; L662-L666 PolarHBondContact O-N 2.85Å; E663-L666 PolarHBondContact O-N 3.45Å; E664-L666 VanDerWaalsContact C-N 3.33Å; E664-L666 PolarHBondContact O-N 3.36Å; L666-R669 PolarHBondContact O-N 2.85Å; L666-A670 VanDerWaalsContact O-CB 3.3Å; L666-A670 WeakPolarHBondContact O-CB 3.28Å; L666-A670 PolarHBondContact O-N 3.28Å; L666-V706 HydrophobicContact CD1-CG1 3.95Å; L666-L709 HydrophobicContact CB-CB 4.28Å; L666-L709 HydrophobicContact CD1-CB 3.89Å; L666-V713 HydrophobicContact CD2-CG2 4.36Å |
| 667 | S | 97.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | E663 E664 L665 R669 A670 V671 | E663-S667 WeakPolarHBondContact O-CB 2.93Å; E663-S667 PolarHBondContact O-N 2.95Å; E664-S667 WeakPolarHBondContact O-CB 3.27Å; E664-S667 PolarHBondContact O-N 2.82Å; L665-S667 VanDerWaalsContact C-N 3.35Å; S667-R669 PolarHBondContact O-N 2.87Å; S667-A670 PolarHBondContact O-N 3.41Å; S667-V671 WeakPolarHBondContact O-CG2 3.45Å; S667-V671 PolarHBondContact O-N 2.74Å |
| 668 | E | 97.2 | Very high | 95.9 | Very high | 112 Ų | 112 | 74.7 Ų | 74.7 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.8 | -47 | 174.9 | -70.3 | -179.6 | 176.8 | 0 | 0 | 112.2 | E664 L665 V671 Q672 | E664-E668 WeakPolarHBondContact O-CG 3.35Å; E664-E668 PolarHBondContact O-N 2.84Å; L665-E668 PolarHBondContact O-N 2.83Å; E668-V671 PolarHBondContact O-N 2.88Å; E668-Q672 WeakPolarHBondContact O-CB 3.05Å; E668-Q672 PolarHBondContact O-N 2.83Å |
| 669 | R | 96.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 78.3 Ų | 78.3 | 23% | 0.23 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 179.1 | -68.6 | -60.2 | 173.8 | -76.4 | -2.2 | 112.5 | L665 L666 S667 Q672 F673 T702 Q705 V706 L709 | L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 2.84Å; L666-R669 PolarHBondContact O-N 2.85Å; S667-R669 PolarHBondContact O-N 2.87Å; R669-Q672 PolarHBondContact O-N 3.28Å; R669-F673 WeakPolarHBondContact O-CB 3.42Å; R669-F673 PolarHBondContact O-N 3.04Å; R669-T702 WeakPolarHBondContact O-CG2 3.36Å; R669-Q705 HydrophobicContact CG-CB 4.44Å; R669-V706 HydrophobicContact CB-CG2 3.78Å; R669-L709 HydrophobicContact CB-CD1 4.15Å; R669-L709 HydrophobicContact CG-CD1 3.57Å |
| 670 | A | 97.1 | Very high | 95.4 | Very high | 32 Ų | 32 | 78.3 Ų | 78.3 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L666 S667 F673 R674 | L666-A670 VanDerWaalsContact O-CB 3.3Å; L666-A670 WeakPolarHBondContact O-CB 3.28Å; L666-A670 PolarHBondContact O-N 3.28Å; S667-A670 PolarHBondContact O-N 3.41Å; A670-F673 PolarHBondContact O-N 3.31Å; A670-R674 WeakPolarHBondContact O-CB 3.45Å; A670-R674 PolarHBondContact O-N 3.01Å |
| 671 | V | 97.5 | Very high | 95.3 | Very high | 79 Ų | 79 | 79.3 Ų | 79.3 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 173.7 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | S667 E668 R674 A675 | S667-V671 WeakPolarHBondContact O-CG2 3.45Å; S667-V671 PolarHBondContact O-N 2.74Å; E668-V671 PolarHBondContact O-N 2.88Å; V671-R674 PolarHBondContact O-N 2.83Å; V671-A675 WeakPolarHBondContact O-CB 3.06Å; V671-A675 PolarHBondContact O-N 3.33Å |
| 672 | Q | 96 | Very high | 94.9 | Very high | 77 Ų | 77 | 76.7 Ų | 76.7 | 36% | 0.36 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 175.3 | -176.4 | 179.2 | 7 | 0 | 0 | 111.6 | E668 R669 R674 A675 I676 T702 | E668-Q672 WeakPolarHBondContact O-CB 3.05Å; E668-Q672 PolarHBondContact O-N 2.83Å; R669-Q672 PolarHBondContact O-N 3.28Å; Q672-R674 PolarHBondContact O-N 2.85Å; Q672-A675 PolarHBondContact O-N 3.47Å; Q672-I676 HydrophobicContact CG-CD1 3.93Å; Q672-I676 WeakPolarHBondContact O-CG1 3.49Å; Q672-I676 PolarHBondContact O-N 2.61Å; Q672-T702 HydrophobicContact CB-CG2 4.15Å; Q672-T702 HydrophobicContact CG-CG2 4.04Å |
| 673 | F | 96.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 79.5 Ų | 79.5 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 178 | -176.7 | -91.5 | 0 | 0 | 0 | 110.9 | R669 A670 A675 I676 Q677 L699 T702 Y703 | R669-F673 WeakPolarHBondContact O-CB 3.42Å; R669-F673 PolarHBondContact O-N 3.04Å; A670-F673 PolarHBondContact O-N 3.31Å; F673-A675 VanDerWaalsContact C-N 3.31Å; F673-A675 PolarHBondContact O-N 2.92Å; F673-I676 PolarHBondContact O-N 2.88Å; F673-Q677 WeakPolarHBondContact O-CB 3.42Å; F673-Q677 PolarHBondContact O-N 2.87Å; F673-L699 HydrophobicContact CD2-CD1 3.66Å; F673-L699 HydrophobicContact CD2-CG 4.23Å; F673-L699 HydrophobicContact CE1-CD1 4.29Å; F673-L699 HydrophobicContact CE2-CD1 3.38Å; F673-L699 HydrophobicContact CE2-CD2 4.41Å; F673-L699 HydrophobicContact CE2-CG 3.6Å; F673-L699 HydrophobicContact CG-CD1 4.22Å; F673-L699 HydrophobicContact CZ-CD1 3.74Å; F673-L699 HydrophobicContact CZ-CD2 4.46Å; F673-L699 HydrophobicContact CZ-CG 4.08Å; F673-T702 HydrophobicContact CB-CG2 3.85Å; F673-T702 HydrophobicContact CD2-CG2 4.43Å; F673-Y703 HydrophobicContact CE2-CD2 4.16Å; F673-Y703 HydrophobicContact CE2-CG 4.42Å |
| 674 | R | 96.1 | Very high | 94 | Very high | 138 Ų | 138 | 82.7 Ų | 82.7 | 52% | 0.521 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 177.8 | -167.2 | -173.9 | -58.5 | 125.5 | 1.5 | 111.9 | A670 V671 Q672 R678 | A670-R674 WeakPolarHBondContact O-CB 3.45Å; A670-R674 PolarHBondContact O-N 3.01Å; V671-R674 PolarHBondContact O-N 2.83Å; Q672-R674 PolarHBondContact O-N 2.85Å; R674-R678 WeakPolarHBondContact O-CB 3.47Å; R674-R678 VanDerWaalsContact O-CG 3.25Å; R674-R678 WeakPolarHBondContact O-CG 3.44Å; R674-R678 PolarHBondContact O-N 3.41Å |
| 675 | A | 95.2 | Very high | 93.7 | Very high | 59 Ų | 59 | 85.9 Ų | 85.9 | 49% | 0.488 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V671 Q672 F673 R679 | V671-A675 WeakPolarHBondContact O-CB 3.06Å; V671-A675 PolarHBondContact O-N 3.33Å; Q672-A675 PolarHBondContact O-N 3.47Å; F673-A675 VanDerWaalsContact C-N 3.31Å; F673-A675 PolarHBondContact O-N 2.92Å; A675-R679 PolarHBondContact O-N 2.8Å; A675-R679 VanDerWaalsContact O-N 3.13Å |
| 676 | I | 93.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 86.5 Ų | 86.5 | 9% | 0.087 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 176.7 | -61.1 | 160.3 | 0 | 0 | 0 | 110.2 | Q672 F673 R678 R679 L680 L695 L698 L699 T702 | Q672-I676 HydrophobicContact CG-CD1 3.93Å; Q672-I676 WeakPolarHBondContact O-CG1 3.49Å; Q672-I676 PolarHBondContact O-N 2.61Å; F673-I676 PolarHBondContact O-N 2.88Å; I676-R678 PolarHBondContact O-N 3.37Å; I676-R679 WeakPolarHBondContact O-CA 3.37Å; I676-R679 WeakPolarHBondContact O-CB 3.49Å; I676-R679 PolarHBondContact O-N 2.79Å; I676-R679 VanDerWaalsContact O-N 3.07Å; I676-L680 PolarHBondContact O-N 3.19Å; I676-L695 HydrophobicContact CG2-CD2 4.49Å; I676-L695 WeakPolarHBondContact CG2-O 3.41Å; I676-L698 HydrophobicContact CD1-CB 4.07Å; I676-L698 HydrophobicContact CG2-CB 4.39Å; I676-L699 HydrophobicContact CB-CD1 4.09Å; I676-L699 HydrophobicContact CG2-CB 3.98Å; I676-L699 HydrophobicContact CG2-CD1 3.89Å; I676-T702 WeakPolarHBondContact CD1-OG1 3.5Å |
| 677 | Q | 93.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 94.7 Ų | 94.7 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 178.4 | -168.4 | -175.5 | 23.1 | 0 | 0 | 111.9 | F673 R679 L680 L681 L699 | F673-Q677 WeakPolarHBondContact O-CB 3.42Å; F673-Q677 PolarHBondContact O-N 2.87Å; Q677-R679 VanDerWaalsContact C-N 3.26Å; Q677-R679 PolarHBondContact O-N 2.81Å; Q677-L680 WeakPolarHBondContact O-CB 3.47Å; Q677-L680 PolarHBondContact O-N 2.87Å; Q677-L680 VanDerWaalsContact O-N 3.16Å; Q677-L681 HydrophobicContact CG-CD1 4.48Å; Q677-L681 WeakPolarHBondContact O-CG 3.26Å; Q677-L681 PolarHBondContact O-N 3.38Å; Q677-L699 HydrophobicContact CB-CD1 4.04Å |
| 678 | R | 93.7 | Very high | 92.1 | Very high | 181 Ų | 181 | 95.5 Ų | 95.5 | 68% | 0.683 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60 | -36.6 | 173.9 | -76.1 | 175.9 | 71.3 | -177.6 | 4.1 | 112 | R674 I676 A682 | R674-R678 WeakPolarHBondContact O-CB 3.47Å; R674-R678 VanDerWaalsContact O-CG 3.25Å; R674-R678 WeakPolarHBondContact O-CG 3.44Å; R674-R678 PolarHBondContact O-N 3.41Å; I676-R678 PolarHBondContact O-N 3.37Å; R678-A682 WeakPolarHBondContact O-CB 3.48Å; R678-A682 PolarHBondContact O-N 3.42Å |
| 679 | R | 90.5 | Very high | 91.3 | Very high | 145 Ų | 145 | 96.7 Ų | 96.7 | 55% | 0.547 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 175.2 | -166.1 | 66.6 | 122.1 | -176.8 | -2.4 | 111.5 | A675 I676 Q677 A682 R683 L695 | A675-R679 PolarHBondContact O-N 2.8Å; A675-R679 VanDerWaalsContact O-N 3.13Å; I676-R679 WeakPolarHBondContact O-CA 3.37Å; I676-R679 WeakPolarHBondContact O-CB 3.49Å; I676-R679 PolarHBondContact O-N 2.79Å; I676-R679 VanDerWaalsContact O-N 3.07Å; Q677-R679 VanDerWaalsContact C-N 3.26Å; Q677-R679 PolarHBondContact O-N 2.81Å; R679-A682 PolarHBondContact O-N 2.85Å; R679-R683 VanDerWaalsContact O-CG 3.27Å; R679-R683 WeakPolarHBondContact O-CG 3.49Å; R679-R683 PolarHBondContact O-N 2.94Å; R679-L695 HydrophobicContact CB-CD1 4.35Å; R679-L695 HydrophobicContact CG-CD1 3.82Å; R679-L695 HydrophobicContact CG-CD2 4.26Å |
| 680 | L | 89.5 | Confident | 90.4 | Very high | 10 Ų | 10 | 95.7 Ų | 95.7 | 5% | 0.052 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.1 | -86.5 | 165 | 0 | 0 | 0 | 111.9 | I676 Q677 A682 R683 F684 L692 L695 L699 | I676-L680 PolarHBondContact O-N 3.19Å; Q677-L680 WeakPolarHBondContact O-CB 3.47Å; Q677-L680 PolarHBondContact O-N 2.87Å; Q677-L680 VanDerWaalsContact O-N 3.16Å; L680-A682 VanDerWaalsContact C-N 3.3Å; L680-A682 PolarHBondContact O-N 3.28Å; L680-R683 CarbonylContact O-C 3.54Å; L680-R683 WeakPolarHBondContact O-CA 3.48Å; L680-R683 WeakPolarHBondContact O-CB 3.37Å; L680-R683 PolarHBondContact O-N 2.99Å; L680-F684 HydrophobicContact CB-CE2 4.11Å; L680-F684 HydrophobicContact CD2-CE2 4.37Å; L680-F684 HydrophobicContact CD2-CZ 4.06Å; L680-F684 WeakPolarHBondContact O-CD2 3.44Å; L680-F684 WeakPolarHBondContact O-CG 3.25Å; L680-F684 PolarHBondContact O-N 3.1Å; L680-L692 HydrophobicContact CD2-CB 4.5Å; L680-L692 HydrophobicContact CD2-CD2 4.37Å; L680-L695 HydrophobicContact CD1-CB 4.26Å; L680-L695 HydrophobicContact CD2-CB 3.85Å; L680-L695 HydrophobicContact CD2-CD1 4.31Å; L680-L695 HydrophobicContact CG-CB 3.84Å; L680-L695 HydrophobicContact CG-CD1 4.3Å; L680-L699 HydrophobicContact CD1-CB 4.21Å; L680-L699 HydrophobicContact CD1-CD2 3.76Å; L680-L699 HydrophobicContact CD1-CG 4.4Å |
| 681 | L | 90.8 | Very high | 89.5 | Confident | 103 Ų | 103 | 99.7 Ų | 99.7 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 176.2 | -71.9 | 172.1 | 0 | 0 | 0 | 112.2 | Q677 R683 F684 K685 | Q677-L681 HydrophobicContact CG-CD1 4.48Å; Q677-L681 WeakPolarHBondContact O-CG 3.26Å; Q677-L681 PolarHBondContact O-N 3.38Å; L681-R683 VanDerWaalsContact C-N 3.3Å; L681-R683 PolarHBondContact O-N 2.76Å; L681-F684 PolarHBondContact O-N 3.16Å; L681-K685 WeakPolarHBondContact O-CB 3.49Å; L681-K685 PolarHBondContact O-N 3.15Å |
| 682 | A | 89.3 | Confident | 88.6 | Confident | 55 Ų | 55 | 99 Ų | 99 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -34.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R678 R679 L680 D686 | R678-A682 WeakPolarHBondContact O-CB 3.48Å; R678-A682 PolarHBondContact O-N 3.42Å; R679-A682 PolarHBondContact O-N 2.85Å; L680-A682 VanDerWaalsContact C-N 3.3Å; L680-A682 PolarHBondContact O-N 3.28Å; A682-D686 PolarHBondContact O-N 3.13Å |
| 683 | R | 86.1 | Confident | 87.6 | Confident | 97 Ų | 97 | 102.4 Ų | 102.4 | 37% | 0.366 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.8 | -37.9 | 174.4 | -68.1 | -73.8 | -176.9 | -95.8 | 2.8 | 112.3 | R679 L680 L681 K685 D686 L692 L695 | R679-R683 VanDerWaalsContact O-CG 3.27Å; R679-R683 WeakPolarHBondContact O-CG 3.49Å; R679-R683 PolarHBondContact O-N 2.94Å; L680-R683 CarbonylContact O-C 3.54Å; L680-R683 WeakPolarHBondContact O-CA 3.48Å; L680-R683 WeakPolarHBondContact O-CB 3.37Å; L680-R683 PolarHBondContact O-N 2.99Å; L681-R683 VanDerWaalsContact C-N 3.3Å; L681-R683 PolarHBondContact O-N 2.76Å; R683-K685 VanDerWaalsContact C-N 3.33Å; R683-K685 PolarHBondContact O-N 2.97Å; R683-D686 WeakPolarHBondContact O-CB 3.14Å; R683-D686 PolarHBondContact O-N 3.33Å; R683-L692 HydrophobicContact CB-CD2 3.83Å; R683-L695 HydrophobicContact CG-CD1 4.31Å |
| 684 | F | 87.4 | Confident | 87 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.1 | -30.5 | 175.6 | -66.8 | -40.2 | 0 | 0 | 0 | 113.2 | L680 L681 D686 L692 | L680-F684 HydrophobicContact CB-CE2 4.11Å; L680-F684 HydrophobicContact CD2-CE2 4.37Å; L680-F684 HydrophobicContact CD2-CZ 4.06Å; L680-F684 WeakPolarHBondContact O-CD2 3.44Å; L680-F684 WeakPolarHBondContact O-CG 3.25Å; L680-F684 PolarHBondContact O-N 3.1Å; L681-F684 PolarHBondContact O-N 3.16Å; F684-D686 VanDerWaalsContact C-N 3.28Å; F684-L692 HydrophobicContact CD1-CD1 4.43Å; F684-L692 HydrophobicContact CE1-CD1 3.78Å; F684-L692 HydrophobicContact CE1-CD2 4.33Å |
| 685 | K | 89.1 | Confident | 86.5 | Confident | 189 Ų | 189 | 101.8 Ų | 101.8 | 82% | 0.822 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.1 | -22.9 | 173.9 | -167.7 | 172.7 | -178.9 | 177.4 | 0 | 112.5 | L681 R683 | L681-K685 WeakPolarHBondContact O-CB 3.49Å; L681-K685 PolarHBondContact O-N 3.15Å; R683-K685 VanDerWaalsContact C-N 3.33Å; R683-K685 PolarHBondContact O-N 2.97Å |
| 686 | D | 87.3 | Confident | 86 | Confident | 83 Ų | 83 | 103.7 Ų | 103.7 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -75.8 | 133.2 | 175.5 | -160.9 | -36.3 | 0 | 0 | 0 | 110.1 | A682 R683 F684 T688 | A682-D686 PolarHBondContact O-N 3.13Å; R683-D686 WeakPolarHBondContact O-CB 3.14Å; R683-D686 PolarHBondContact O-N 3.33Å; F684-D686 VanDerWaalsContact C-N 3.28Å; D686-T688 VanDerWaalsContact C-N 3.29Å; D686-T688 VanDerWaalsContact CG-OG1 3.25Å; D686-T688 PolarHBondContact OD1-N 3.33Å; D686-T688 PolarHBondContact OD1-OG1 2.92Å; D686-T688 PolarHBondContact OD2-OG1 3.5Å |
| 687 | K | 87.9 | Confident | 85.9 | Confident | 213 Ų | 213 | 107.4 Ų | 107.4 | 93% | 0.926 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -79 | -13.8 | 178.4 | -65.8 | -172.5 | 178.5 | -176.2 | 0 | 112.6 | ||
| 688 | T | 84 | Confident | 85.9 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -84.1 | 126 | 178.1 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | D686 A690 | D686-T688 VanDerWaalsContact C-N 3.29Å; D686-T688 VanDerWaalsContact CG-OG1 3.25Å; D686-T688 PolarHBondContact OD1-N 3.33Å; D686-T688 PolarHBondContact OD1-OG1 2.92Å; D686-T688 PolarHBondContact OD2-OG1 3.5Å; T688-A690 PolarHBondContact O-N 3.19Å; T688-A690 VanDerWaalsContact O-N 3.15Å |
| 689 | P | 79.4 | Confident | 85.9 | Confident | 136 Ų | 136 | 100.5 Ų | 100.5 | 88% | 0.883 | 52% | 0.517 | S | S | * | . | trans | -66.7 | 116.6 | 178.6 | 26.4 | -32.4 | 0 | 0 | 0 | 109.8 | ||||
| 690 | A | 78.3 | Confident | 86.1 | Confident | 41 Ų | 41 | 97 Ų | 97 | 34% | 0.339 | 51% | 0.509 | S | S | . | . | trans | -115.6 | 147 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T688 L692 | T688-A690 PolarHBondContact O-N 3.19Å; T688-A690 VanDerWaalsContact O-N 3.15Å; A690-L692 WeakPolarHBondContact O-CG 3.4Å; A690-L692 PolarHBondContact O-N 2.83Å; A690-L692 VanDerWaalsContact O-N 3.12Å | ||
| 691 | P | 78.6 | Confident | 86.4 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 75% | 0.753 | 52% | 0.521 | S | S | * | . | trans | -59.6 | 116.8 | 176.3 | -21.8 | 32.5 | 0 | 0 | 0 | 111.4 | ||||
| 692 | L | 77.7 | Confident | 86.6 | Confident | 63 Ų | 63 | 93.1 Ų | 93.1 | 33% | 0.33 | 50% | 0.496 | S | S | . | . | trans | -94.7 | -19.2 | -177.7 | -53.3 | 163.2 | 0 | 0 | 0 | 112.7 | L680 R683 F684 A690 H694 L695 D696 | L680-L692 HydrophobicContact CD2-CB 4.5Å; L680-L692 HydrophobicContact CD2-CD2 4.37Å; R683-L692 HydrophobicContact CB-CD2 3.83Å; F684-L692 HydrophobicContact CD1-CD1 4.43Å; F684-L692 HydrophobicContact CE1-CD1 3.78Å; F684-L692 HydrophobicContact CE1-CD2 4.33Å; A690-L692 WeakPolarHBondContact O-CG 3.4Å; A690-L692 PolarHBondContact O-N 2.83Å; A690-L692 VanDerWaalsContact O-N 3.12Å; L692-H694 PolarHBondContact O-N 3.16Å; L692-L695 PolarHBondContact O-N 3.26Å; L692-D696 PolarHBondContact O-N 2.88Å; L692-D696 VanDerWaalsContact O-N 3.16Å | ||
| 693 | Q | 74.9 | Confident | 86.9 | Confident | 150 Ų | 150 | 96.3 Ų | 96.3 | 70% | 0.701 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -52.4 | -36.7 | -164.9 | -70.9 | 177.3 | -11.1 | 0 | 0 | 113.1 | T697 | Q693-T697 WeakPolarHBondContact O-CG2 3.36Å; Q693-T697 PolarHBondContact O-N 3.2Å; Q693-T697 VanDerWaalsContact O-N 3.12Å; Q693-T697 PolarHBondContact O-OG1 2.84Å |
| 694 | H | 83.7 | Confident | 87.5 | Confident | 135 Ų | 135 | 97.7 Ų | 97.7 | 63% | 0.625 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75.6 | -31.8 | -175.1 | -52 | 21.1 | 0 | 0 | 0 | 111.6 | L692 T697 L698 | L692-H694 PolarHBondContact O-N 3.16Å; H694-T697 WeakPolarHBondContact CA-OG1 3.29Å; H694-T697 PolarHBondContact O-OG1 3.32Å; H694-L698 WeakPolarHBondContact O-CB 3.35Å; H694-L698 VanDerWaalsContact O-CG 3.27Å; H694-L698 WeakPolarHBondContact O-CG 3.15Å; H694-L698 PolarHBondContact O-N 2.81Å |
| 695 | L | 86 | Confident | 87.9 | Confident | 37 Ų | 37 | 95.2 Ų | 95.2 | 19% | 0.194 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -75.3 | -36.3 | 176.8 | -69.5 | 177.2 | 0 | 0 | 0 | 111.2 | I676 R679 L680 R683 L692 L698 L699 | I676-L695 HydrophobicContact CG2-CD2 4.49Å; I676-L695 WeakPolarHBondContact CG2-O 3.41Å; R679-L695 HydrophobicContact CB-CD1 4.35Å; R679-L695 HydrophobicContact CG-CD1 3.82Å; R679-L695 HydrophobicContact CG-CD2 4.26Å; L680-L695 HydrophobicContact CD1-CB 4.26Å; L680-L695 HydrophobicContact CD2-CB 3.85Å; L680-L695 HydrophobicContact CD2-CD1 4.31Å; L680-L695 HydrophobicContact CG-CB 3.84Å; L680-L695 HydrophobicContact CG-CD1 4.3Å; R683-L695 HydrophobicContact CG-CD1 4.31Å; L692-L695 PolarHBondContact O-N 3.26Å; L695-L698 PolarHBondContact O-N 2.96Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.49Å |
| 696 | D | 85.1 | Confident | 88.3 | Confident | 98 Ų | 98 | 87.7 Ų | 87.7 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 177.6 | -161.2 | 12.7 | 0 | 0 | 0 | 111.4 | L692 L698 L699 D700 | L692-D696 PolarHBondContact O-N 2.88Å; L692-D696 VanDerWaalsContact O-N 3.16Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 2.93Å; D696-L699 WeakPolarHBondContact O-CB 3.44Å; D696-L699 PolarHBondContact O-N 3.47Å; D696-L699 VanDerWaalsContact O-N 3.08Å; D696-D700 PolarHBondContact O-N 2.99Å |
| 697 | T | 91.2 | Very high | 88.8 | Confident | 96 Ų | 96 | 86.9 Ų | 86.9 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.7 | -36.5 | 173.6 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | Q693 H694 G701 | Q693-T697 WeakPolarHBondContact O-CG2 3.36Å; Q693-T697 PolarHBondContact O-N 3.2Å; Q693-T697 VanDerWaalsContact O-N 3.12Å; Q693-T697 PolarHBondContact O-OG1 2.84Å; H694-T697 WeakPolarHBondContact CA-OG1 3.29Å; H694-T697 PolarHBondContact O-OG1 3.32Å; T697-G701 PolarHBondContact O-N 3.12Å |
| 698 | L | 93.3 | Very high | 89.2 | Confident | 91 Ų | 91 | 79.5 Ų | 79.5 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 174.4 | -77.3 | 172.6 | 0 | 0 | 0 | 111.3 | I676 H694 L695 D696 T702 | I676-L698 HydrophobicContact CD1-CB 4.07Å; I676-L698 HydrophobicContact CG2-CB 4.39Å; H694-L698 WeakPolarHBondContact O-CB 3.35Å; H694-L698 VanDerWaalsContact O-CG 3.27Å; H694-L698 WeakPolarHBondContact O-CG 3.15Å; H694-L698 PolarHBondContact O-N 2.81Å; L695-L698 PolarHBondContact O-N 2.96Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 2.93Å; L698-T702 WeakPolarHBondContact O-CB 3.48Å; L698-T702 PolarHBondContact O-N 2.48Å; L698-T702 PolarHBondContact O-OG1 3.3Å |
| 699 | L | 93.8 | Very high | 89.9 | Confident | 30 Ų | 30 | 76.6 Ų | 76.6 | 16% | 0.157 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65 | -50.1 | 177.8 | -167.7 | 75.2 | 0 | 0 | 0 | 110.5 | F673 I676 Q677 L680 L695 D696 T702 Y703 | F673-L699 HydrophobicContact CD2-CD1 3.66Å; F673-L699 HydrophobicContact CD2-CG 4.23Å; F673-L699 HydrophobicContact CE1-CD1 4.29Å; F673-L699 HydrophobicContact CE2-CD1 3.38Å; F673-L699 HydrophobicContact CE2-CD2 4.41Å; F673-L699 HydrophobicContact CE2-CG 3.6Å; F673-L699 HydrophobicContact CG-CD1 4.22Å; F673-L699 HydrophobicContact CZ-CD1 3.74Å; F673-L699 HydrophobicContact CZ-CD2 4.46Å; F673-L699 HydrophobicContact CZ-CG 4.08Å; I676-L699 HydrophobicContact CB-CD1 4.09Å; I676-L699 HydrophobicContact CG2-CB 3.98Å; I676-L699 HydrophobicContact CG2-CD1 3.89Å; Q677-L699 HydrophobicContact CB-CD1 4.04Å; L680-L699 HydrophobicContact CD1-CB 4.21Å; L680-L699 HydrophobicContact CD1-CD2 3.76Å; L680-L699 HydrophobicContact CD1-CG 4.4Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.49Å; D696-L699 WeakPolarHBondContact O-CB 3.44Å; D696-L699 PolarHBondContact O-N 3.47Å; D696-L699 VanDerWaalsContact O-N 3.08Å; L699-T702 PolarHBondContact O-N 3.1Å; L699-Y703 VanDerWaalsContact O-CB 3.29Å; L699-Y703 WeakPolarHBondContact O-CB 3.34Å; L699-Y703 PolarHBondContact O-N 2.88Å |
| 700 | D | 94.3 | Very high | 90.7 | Very high | 72 Ų | 72 | 71.5 Ų | 71.5 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 177.4 | -178 | 52.7 | 0 | 0 | 0 | 112 | D696 T702 Y703 K704 | D696-D700 PolarHBondContact O-N 2.99Å; D700-T702 VanDerWaalsContact C-N 3.35Å; D700-T702 PolarHBondContact O-N 3.26Å; D700-Y703 WeakPolarHBondContact O-CB 3.4Å; D700-Y703 PolarHBondContact O-N 3.32Å; D700-K704 WeakPolarHBondContact O-CG 3.34Å; D700-K704 PolarHBondContact O-N 3.25Å; D700-K704 IonicContact OD1-NZ 3.45Å; D700-K704 WeakPolarHBondContact OD2-CE 2.87Å; D700-K704 IonicContact OD2-NZ 4Å; D700-K704 PolarHBondContact OD2-NZ 2.89Å |
| 701 | G | 95.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 74 Ų | 74 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T697 Q705 | T697-G701 PolarHBondContact O-N 3.12Å; G701-Q705 WeakPolarHBondContact O-CG 3.35Å; G701-Q705 PolarHBondContact O-N 3.47Å; G701-Q705 PolarHBondContact O-NE2 2.63Å |
| 702 | T | 95.9 | Very high | 92.5 | Very high | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74 | -39.2 | 175.4 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | R669 Q672 F673 I676 L698 L699 D700 Q705 V706 | R669-T702 WeakPolarHBondContact O-CG2 3.36Å; Q672-T702 HydrophobicContact CB-CG2 4.15Å; Q672-T702 HydrophobicContact CG-CG2 4.04Å; F673-T702 HydrophobicContact CB-CG2 3.85Å; F673-T702 HydrophobicContact CD2-CG2 4.43Å; I676-T702 WeakPolarHBondContact CD1-OG1 3.5Å; L698-T702 WeakPolarHBondContact O-CB 3.48Å; L698-T702 PolarHBondContact O-N 2.48Å; L698-T702 PolarHBondContact O-OG1 3.3Å; L699-T702 PolarHBondContact O-N 3.1Å; D700-T702 VanDerWaalsContact C-N 3.35Å; D700-T702 PolarHBondContact O-N 3.26Å; T702-Q705 WeakPolarHBondContact O-CB 3.25Å; T702-Q705 PolarHBondContact O-N 3.28Å; T702-V706 WeakPolarHBondContact O-CG2 3.35Å; T702-V706 PolarHBondContact O-N 2.95Å |
| 703 | Y | 96.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 67.5 Ų | 67.5 | 48% | 0.478 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 176 | 179.1 | -112 | 0 | 0 | 0 | 111.8 | F673 L699 D700 Q705 V706 I707 | F673-Y703 HydrophobicContact CE2-CD2 4.16Å; F673-Y703 HydrophobicContact CE2-CG 4.42Å; L699-Y703 VanDerWaalsContact O-CB 3.29Å; L699-Y703 WeakPolarHBondContact O-CB 3.34Å; L699-Y703 PolarHBondContact O-N 2.88Å; D700-Y703 WeakPolarHBondContact O-CB 3.4Å; D700-Y703 PolarHBondContact O-N 3.32Å; Y703-Q705 PolarHBondContact O-N 3.45Å; Y703-V706 WeakPolarHBondContact O-CA 3.46Å; Y703-V706 WeakPolarHBondContact O-CB 3.16Å; Y703-V706 PolarHBondContact O-N 2.84Å; Y703-I707 HydrophobicContact CD1-CG1 4.41Å; Y703-I707 HydrophobicContact CD2-CG1 4.39Å; Y703-I707 HydrophobicContact CE1-CG1 3.98Å; Y703-I707 HydrophobicContact CE2-CD1 3.91Å; Y703-I707 HydrophobicContact CE2-CG1 3.97Å; Y703-I707 WeakPolarHBondContact O-CG1 3.24Å; Y703-I707 PolarHBondContact O-N 2.97Å |
| 704 | K | 97.1 | Very high | 94.5 | Very high | 125 Ų | 125 | 66.4 Ų | 66.4 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.6 | -37.2 | 175.7 | -74.1 | 168.6 | 177.5 | 160.9 | 0 | 112.7 | D700 A708 | D700-K704 WeakPolarHBondContact O-CG 3.34Å; D700-K704 PolarHBondContact O-N 3.25Å; D700-K704 IonicContact OD1-NZ 3.45Å; D700-K704 WeakPolarHBondContact OD2-CE 2.87Å; D700-K704 IonicContact OD2-NZ 4Å; D700-K704 PolarHBondContact OD2-NZ 2.89Å; K704-A708 WeakPolarHBondContact O-CB 3.44Å; K704-A708 PolarHBondContact O-N 2.88Å |
| 705 | Q | 97 | Very high | 95.1 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 38% | 0.379 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 174.2 | -72 | 170.2 | 61.8 | 0 | 0 | 112.4 | R669 G701 T702 Y703 A708 L709 | R669-Q705 HydrophobicContact CG-CB 4.44Å; G701-Q705 WeakPolarHBondContact O-CG 3.35Å; G701-Q705 PolarHBondContact O-N 3.47Å; G701-Q705 PolarHBondContact O-NE2 2.63Å; T702-Q705 WeakPolarHBondContact O-CB 3.25Å; T702-Q705 PolarHBondContact O-N 3.28Å; Y703-Q705 PolarHBondContact O-N 3.45Å; Q705-A708 PolarHBondContact O-N 3.14Å; Q705-L709 WeakPolarHBondContact O-CB 3.21Å; Q705-L709 WeakPolarHBondContact O-CG 3.36Å; Q705-L709 PolarHBondContact O-N 3.31Å |
| 706 | V | 97.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | L666 R669 T702 Y703 L709 A710 | L666-V706 HydrophobicContact CD1-CG1 3.95Å; R669-V706 HydrophobicContact CB-CG2 3.78Å; T702-V706 WeakPolarHBondContact O-CG2 3.35Å; T702-V706 PolarHBondContact O-N 2.95Å; Y703-V706 WeakPolarHBondContact O-CA 3.46Å; Y703-V706 WeakPolarHBondContact O-CB 3.16Å; Y703-V706 PolarHBondContact O-N 2.84Å; V706-L709 PolarHBondContact O-N 3.04Å; V706-A710 WeakPolarHBondContact O-CB 3.36Å; V706-A710 PolarHBondContact O-N 3.33Å |
| 707 | I | 97.5 | Very high | 96 | Very high | 67 Ų | 67 | 65 Ų | 65 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -49.1 | 176.7 | -62.1 | -58.4 | 0 | 0 | 0 | 110.9 | Y703 L709 A710 D711 | Y703-I707 HydrophobicContact CD1-CG1 4.41Å; Y703-I707 HydrophobicContact CD2-CG1 4.39Å; Y703-I707 HydrophobicContact CE1-CG1 3.98Å; Y703-I707 HydrophobicContact CE2-CD1 3.91Å; Y703-I707 HydrophobicContact CE2-CG1 3.97Å; Y703-I707 WeakPolarHBondContact O-CG1 3.24Å; Y703-I707 PolarHBondContact O-N 2.97Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 3.39Å; I707-A710 WeakPolarHBondContact O-CB 3.45Å; I707-A710 PolarHBondContact O-N 3.28Å; I707-A710 VanDerWaalsContact O-N 3.09Å; I707-D711 PolarHBondContact O-N 3.28Å |
| 708 | A | 97.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -35.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K704 Q705 A712 | K704-A708 WeakPolarHBondContact O-CB 3.44Å; K704-A708 PolarHBondContact O-N 2.88Å; Q705-A708 PolarHBondContact O-N 3.14Å; A708-A712 WeakPolarHBondContact O-CB 3.45Å; A708-A712 PolarHBondContact O-N 3.16Å; A708-A712 VanDerWaalsContact O-N 3.1Å |
| 709 | L | 97.5 | Very high | 96.1 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.9 | -37 | 174.3 | -75.9 | 169.6 | 0 | 0 | 0 | 112 | L662 L665 L666 R669 Q705 V706 I707 A712 V713 | L662-L709 HydrophobicContact CD2-CD2 4.13Å; L665-L709 HydrophobicContact CB-CD1 4.14Å; L665-L709 HydrophobicContact CB-CD2 4.07Å; L666-L709 HydrophobicContact CB-CB 4.28Å; L666-L709 HydrophobicContact CD1-CB 3.89Å; R669-L709 HydrophobicContact CB-CD1 4.15Å; R669-L709 HydrophobicContact CG-CD1 3.57Å; Q705-L709 WeakPolarHBondContact O-CB 3.21Å; Q705-L709 WeakPolarHBondContact O-CG 3.36Å; Q705-L709 PolarHBondContact O-N 3.31Å; V706-L709 PolarHBondContact O-N 3.04Å; I707-L709 VanDerWaalsContact C-N 3.28Å; I707-L709 PolarHBondContact O-N 3.39Å; L709-A712 PolarHBondContact O-N 3.49Å; L709-V713 VanDerWaalsContact O-CG2 3.27Å; L709-V713 WeakPolarHBondContact O-CG2 3.22Å; L709-V713 PolarHBondContact O-N 2.95Å |
| 710 | A | 97.3 | Very high | 96.1 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 24% | 0.24 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | V706 I707 A712 V713 E714 | V706-A710 WeakPolarHBondContact O-CB 3.36Å; V706-A710 PolarHBondContact O-N 3.33Å; I707-A710 WeakPolarHBondContact O-CB 3.45Å; I707-A710 PolarHBondContact O-N 3.28Å; I707-A710 VanDerWaalsContact O-N 3.09Å; A710-A712 VanDerWaalsContact C-N 3.29Å; A710-A712 PolarHBondContact O-N 3.06Å; A710-V713 PolarHBondContact O-N 2.85Å; A710-V713 VanDerWaalsContact O-N 3.14Å; A710-E714 PolarHBondContact O-N 3.3Å |
| 711 | D | 97.7 | Very high | 96 | Very high | 93 Ų | 93 | 58.8 Ų | 58.8 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 175 | -63.6 | -26.8 | 0 | 0 | 0 | 111.2 | I707 E714 E715 | I707-D711 PolarHBondContact O-N 3.28Å; D711-E714 PolarHBondContact O-N 2.83Å; D711-E715 WeakPolarHBondContact O-CB 3.23Å; D711-E715 PolarHBondContact O-N 2.86Å |
| 712 | A | 97.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 24% | 0.24 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L662 A708 L709 A710 N716 | L662-A712 HydrophobicContact CD1-CB 4.37Å; L662-A712 HydrophobicContact CD2-CB 4.22Å; A708-A712 WeakPolarHBondContact O-CB 3.45Å; A708-A712 PolarHBondContact O-N 3.16Å; A708-A712 VanDerWaalsContact O-N 3.1Å; L709-A712 PolarHBondContact O-N 3.49Å; A710-A712 VanDerWaalsContact C-N 3.29Å; A710-A712 PolarHBondContact O-N 3.06Å; A712-N716 WeakPolarHBondContact O-CB 3.18Å; A712-N716 PolarHBondContact O-N 3.13Å |
| 713 | V | 96.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 173.5 | 168.7 | 0 | 0 | 0 | 0 | 110 | L662 E663 L666 L709 A710 E715 N716 Q717 | L662-V713 HydrophobicContact CB-CG2 3.65Å; E663-V713 HydrophobicContact CG-CG1 4.43Å; E663-V713 HydrophobicContact CG-CG2 4.42Å; L666-V713 HydrophobicContact CD2-CG2 4.36Å; L709-V713 VanDerWaalsContact O-CG2 3.27Å; L709-V713 WeakPolarHBondContact O-CG2 3.22Å; L709-V713 PolarHBondContact O-N 2.95Å; A710-V713 PolarHBondContact O-N 2.85Å; A710-V713 VanDerWaalsContact O-N 3.14Å; V713-E715 PolarHBondContact O-N 3.02Å; V713-N716 PolarHBondContact O-N 3.44Å; V713-Q717 HydrophobicContact CG1-CG 4.39Å; V713-Q717 WeakPolarHBondContact O-CB 3.14Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 2.78Å |
| 714 | E | 96.3 | Very high | 95.7 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 59% | 0.593 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 177.1 | -71.9 | -174.5 | -160.4 | 0 | 0 | 111.9 | A710 D711 N716 Q717 G718 | A710-E714 PolarHBondContact O-N 3.3Å; D711-E714 PolarHBondContact O-N 2.83Å; E714-N716 PolarHBondContact O-N 2.94Å; E714-Q717 PolarHBondContact O-N 3.37Å; E714-G718 PolarHBondContact O-N 3.21Å |
| 715 | E | 95.8 | Very high | 95.4 | Very high | 132 Ų | 132 | 48.5 Ų | 48.5 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.6 | -45.5 | 174.1 | -172.7 | -177.6 | 172.7 | 0 | 0 | 111.1 | D711 V713 Q717 G718 N719 | D711-E715 WeakPolarHBondContact O-CB 3.23Å; D711-E715 PolarHBondContact O-N 2.86Å; V713-E715 PolarHBondContact O-N 3.02Å; E715-Q717 PolarHBondContact O-N 2.59Å; E715-G718 PolarHBondContact O-N 2.85Å; E715-N719 WeakPolarHBondContact O-CB 3.37Å; E715-N719 VanDerWaalsContact O-CG 3.26Å; E715-N719 PolarHBondContact O-N 3.21Å; E715-N719 PolarHBondContact O-ND2 3.45Å |
| 716 | N | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.1 | -173 | 82.4 | 0 | 0 | 0 | 112.2 | L655 G659 L662 A712 V713 E714 N719 L720 | L655-N716 PolarHBondContact O-ND2 3.41Å; L655-N716 PolarHBondContact O-OD1 3.48Å; G659-N716 WeakPolarHBondContact CA-ND2 3.39Å; G659-N716 PolarHBondContact N-ND2 3.19Å; L662-N716 HydrophobicContact CD1-CB 3.94Å; A712-N716 WeakPolarHBondContact O-CB 3.18Å; A712-N716 PolarHBondContact O-N 3.13Å; V713-N716 PolarHBondContact O-N 3.44Å; E714-N716 PolarHBondContact O-N 2.94Å; N716-N719 PolarHBondContact O-N 2.65Å; N716-L720 VanDerWaalsContact O-CB 3.22Å; N716-L720 WeakPolarHBondContact O-CB 3.41Å; N716-L720 PolarHBondContact O-N 3.11Å |
| 717 | Q | 94.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 174.5 | -75.2 | 175.2 | -8 | 0 | 0 | 111.5 | V713 E714 E715 N719 L720 F721 | V713-Q717 HydrophobicContact CG1-CG 4.39Å; V713-Q717 WeakPolarHBondContact O-CB 3.14Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 2.78Å; E714-Q717 PolarHBondContact O-N 3.37Å; E715-Q717 PolarHBondContact O-N 2.59Å; Q717-N719 PolarHBondContact O-N 2.89Å; Q717-L720 PolarHBondContact O-N 2.95Å; Q717-F721 WeakPolarHBondContact O-CB 3.22Å; Q717-F721 PolarHBondContact O-N 3.24Å |
| 718 | G | 92.4 | Very high | 95 | Very high | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E714 E715 Q722 | E714-G718 PolarHBondContact O-N 3.21Å; E715-G718 PolarHBondContact O-N 2.85Å; G718-Q722 WeakPolarHBondContact O-CG 3.4Å; G718-Q722 PolarHBondContact O-N 3.17Å; G718-Q722 VanDerWaalsContact O-N 3.11Å |
| 719 | N | 93.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 35% | 0.353 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 176.7 | -69.9 | -28.7 | 0 | 0 | 0 | 112.3 | L655 E715 N716 Q717 F721 Q722 S723 | L655-N719 HydrophobicContact CD1-CB 4.3Å; L655-N719 HydrophobicContact CD2-CB 4.04Å; E715-N719 WeakPolarHBondContact O-CB 3.37Å; E715-N719 VanDerWaalsContact O-CG 3.26Å; E715-N719 PolarHBondContact O-N 3.21Å; E715-N719 PolarHBondContact O-ND2 3.45Å; N716-N719 PolarHBondContact O-N 2.65Å; Q717-N719 PolarHBondContact O-N 2.89Å; N719-F721 VanDerWaalsContact C-N 3.34Å; N719-F721 PolarHBondContact O-N 2.92Å; N719-Q722 PolarHBondContact O-N 3.17Å; N719-S723 WeakPolarHBondContact O-CB 3.35Å; N719-S723 PolarHBondContact O-N 2.8Å |
| 720 | L | 94.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.1 | -47.4 | 177.2 | 176.8 | 61.9 | 0 | 0 | 0 | 110.5 | L655 R656 N716 Q717 Q722 S723 F724 | L655-L720 HydrophobicContact CB-CB 4.26Å; L655-L720 HydrophobicContact CB-CD1 3.89Å; R656-L720 HydrophobicContact CG-CD1 3.49Å; R656-L720 VanDerWaalsContact CG-CD1 3.49Å; R656-L720 HydrophobicContact CG-CD2 4.01Å; R656-L720 HydrophobicContact CG-CG 4.41Å; N716-L720 VanDerWaalsContact O-CB 3.22Å; N716-L720 WeakPolarHBondContact O-CB 3.41Å; N716-L720 PolarHBondContact O-N 3.11Å; Q717-L720 PolarHBondContact O-N 2.95Å; L720-Q722 PolarHBondContact O-N 3.24Å; L720-S723 CarbonylContact O-C 3.02Å; L720-S723 WeakPolarHBondContact O-CB 3.43Å; L720-S723 PolarHBondContact O-N 2.86Å; L720-S723 VanDerWaalsContact O-N 3.16Å; L720-F724 WeakPolarHBondContact O-CB 3.41Å; L720-F724 PolarHBondContact O-N 2.81Å |
| 721 | F | 92.4 | Very high | 94.6 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.1 | -172.8 | -115.1 | 0 | 0 | 0 | 112.6 | P463 Y495 Q717 N719 F724 T725 E761 | P463-F721 HydrophobicContact CB-CE1 3.6Å; P463-F721 HydrophobicContact CB-CZ 3.54Å; P463-F721 HydrophobicContact CG-CE1 4.09Å; P463-F721 HydrophobicContact CG-CE2 4.47Å; P463-F721 HydrophobicContact CG-CZ 3.5Å; P463-F721 VanDerWaalsContact CG-CZ 3.5Å; Y495-F721 WeakPolarHBondContact OH-CD1 3.47Å; Y495-F721 WeakPolarHBondContact OH-CE1 3.33Å; Q717-F721 WeakPolarHBondContact O-CB 3.22Å; Q717-F721 PolarHBondContact O-N 3.24Å; N719-F721 VanDerWaalsContact C-N 3.34Å; N719-F721 PolarHBondContact O-N 2.92Å; F721-F724 PolarHBondContact O-N 2.98Å; F721-T725 WeakPolarHBondContact O-CG2 3.18Å; F721-T725 PolarHBondContact O-N 2.88Å; F721-E761 HydrophobicContact CD2-CB 4.23Å; F721-E761 HydrophobicContact CE2-CB 3.96Å |
| 722 | Q | 92 | Very high | 94.5 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 172.2 | -73 | -174.9 | 36.2 | 0 | 0 | 111.5 | Y495 G718 N719 L720 F724 T725 R726 | Y495-Q722 HydrophobicContact CD1-CG 3.67Å; Y495-Q722 HydrophobicContact CE1-CG 3.56Å; Y495-Q722 HydrophobicContact CG-CG 4.23Å; G718-Q722 WeakPolarHBondContact O-CG 3.4Å; G718-Q722 PolarHBondContact O-N 3.17Å; G718-Q722 VanDerWaalsContact O-N 3.11Å; N719-Q722 PolarHBondContact O-N 3.17Å; L720-Q722 PolarHBondContact O-N 3.24Å; Q722-F724 VanDerWaalsContact C-N 3.32Å; Q722-F724 PolarHBondContact O-N 2.9Å; Q722-T725 PolarHBondContact O-N 2.89Å; Q722-T725 PolarHBondContact O-OG1 2.87Å; Q722-R726 WeakPolarHBondContact O-CG 3.27Å; Q722-R726 PolarHBondContact O-N 2.82Å; Q722-R726 VanDerWaalsContact O-N 3.13Å |
| 723 | S | 94.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 176.1 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | H651 H652 N719 L720 R726 L727 | H651-S723 PolarHBondContact CD2-OG 3.13Å; H652-S723 WeakPolarHBondContact CA-OG 3.42Å; N719-S723 WeakPolarHBondContact O-CB 3.35Å; N719-S723 PolarHBondContact O-N 2.8Å; L720-S723 CarbonylContact O-C 3.02Å; L720-S723 WeakPolarHBondContact O-CB 3.43Å; L720-S723 PolarHBondContact O-N 2.86Å; L720-S723 VanDerWaalsContact O-N 3.16Å; S723-R726 PolarHBondContact O-N 2.81Å; S723-L727 VanDerWaalsContact O-CB 3.3Å; S723-L727 WeakPolarHBondContact O-CB 3.06Å; S723-L727 PolarHBondContact O-N 2.77Å |
| 724 | F | 94.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.7 | -179 | -94.5 | 0 | 0 | 0 | 111.6 | H652 L720 F721 Q722 R726 L727 K728 L759 Q760 D762 W768 | H652-F724 AromaticContact NE2-CD2 3.64Å; L720-F724 WeakPolarHBondContact O-CB 3.41Å; L720-F724 PolarHBondContact O-N 2.81Å; F721-F724 PolarHBondContact O-N 2.98Å; Q722-F724 VanDerWaalsContact C-N 3.32Å; Q722-F724 PolarHBondContact O-N 2.9Å; F724-R726 VanDerWaalsContact C-N 3.34Å; F724-R726 PolarHBondContact O-N 3.11Å; F724-L727 PolarHBondContact O-N 3.25Å; F724-K728 HydrophobicContact CE1-CD 4.27Å; F724-K728 VanDerWaalsContact O-CB 3.31Å; F724-K728 WeakPolarHBondContact O-CB 3.34Å; F724-K728 PolarHBondContact O-N 3.43Å; F724-L759 HydrophobicContact CZ-CB 4.46Å; F724-Q760 VanDerWaalsContact CE1-C 3.46Å; F724-Q760 WeakPolarHBondContact CE1-O 3.29Å; F724-D762 WeakPolarHBondContact CD2-OD2 3.49Å; F724-W768 HydrophobicContact CD2-CB 4.3Å; F724-W768 HydrophobicContact CE2-CB 3.89Å; F724-W768 AromaticContact CE2-CD1 3.81Å; F724-W768 HydrophobicContact CE2-CG 4.05Å |
| 725 | T | 91.8 | Very high | 94.3 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.3 | -37.1 | 177.6 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | Y495 F721 Q722 K728 S729 | Y495-T725 WeakPolarHBondContact CD2-OG1 3.42Å; Y495-T725 HydrophobicContact CE2-CG2 3.94Å; Y495-T725 WeakPolarHBondContact CE2-OG1 3.36Å; F721-T725 WeakPolarHBondContact O-CG2 3.18Å; F721-T725 PolarHBondContact O-N 2.88Å; Q722-T725 PolarHBondContact O-N 2.89Å; Q722-T725 PolarHBondContact O-OG1 2.87Å; T725-K728 WeakPolarHBondContact O-CB 3.13Å; T725-K728 PolarHBondContact O-N 3.47Å; T725-S729 PolarHBondContact O-N 3.11Å; T725-S729 VanDerWaalsContact O-N 3.11Å; T725-S729 PolarHBondContact O-OG 3.4Å |
| 726 | R | 93.3 | Very high | 94.2 | Very high | 85 Ų | 85 | 22.8 Ų | 22.8 | 32% | 0.321 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -68.2 | -44.6 | 174.2 | -66.5 | 175.3 | -173.6 | -175.1 | 10 | 111.6 | E607 Q722 S723 F724 K728 S729 A730 | E607-R726 HydrophobicContact CB-CB 4.21Å; E607-R726 WeakPolarHBondContact CB-O 3.37Å; E607-R726 HydrophobicContact CG-CB 3.94Å; E607-R726 HydrophobicContact CG-CG 4.06Å; E607-R726 WeakPolarHBondContact OE1-CD 3.1Å; Q722-R726 WeakPolarHBondContact O-CG 3.27Å; Q722-R726 PolarHBondContact O-N 2.82Å; Q722-R726 VanDerWaalsContact O-N 3.13Å; S723-R726 PolarHBondContact O-N 2.81Å; F724-R726 VanDerWaalsContact C-N 3.34Å; F724-R726 PolarHBondContact O-N 3.11Å; R726-K728 VanDerWaalsContact C-N 3.25Å; R726-K728 PolarHBondContact O-N 2.94Å; R726-S729 WeakPolarHBondContact O-CB 3.37Å; R726-S729 PolarHBondContact O-N 3.34Å; R726-A730 PolarHBondContact O-N 2.83Å |
| 727 | L | 94.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.3 | -38.3 | 175.2 | 178.5 | 60.4 | 0 | 0 | 0 | 111.2 | Y645 L648 I649 H652 S723 F724 A730 T731 W768 | Y645-L727 HydrophobicContact CD2-CD1 4.29Å; Y645-L727 HydrophobicContact CE2-CD1 3.71Å; L648-L727 HydrophobicContact CB-CD1 4Å; I649-L727 HydrophobicContact CG1-CD1 3.65Å; H652-L727 HydrophobicContact CB-CD2 3.92Å; S723-L727 VanDerWaalsContact O-CB 3.3Å; S723-L727 WeakPolarHBondContact O-CB 3.06Å; S723-L727 PolarHBondContact O-N 2.77Å; F724-L727 PolarHBondContact O-N 3.25Å; L727-A730 PolarHBondContact O-N 3.35Å; L727-T731 VanDerWaalsContact O-CB 3.26Å; L727-T731 WeakPolarHBondContact O-CB 3.22Å; L727-T731 PolarHBondContact O-N 3.18Å; L727-T731 PolarHBondContact O-OG1 3.08Å; L727-W768 HydrophobicContact CD1-CH2 4.23Å; L727-W768 HydrophobicContact CD1-CZ3 4.41Å; L727-W768 HydrophobicContact CD2-CD2 3.76Å; L727-W768 HydrophobicContact CD2-CE3 3.56Å; L727-W768 HydrophobicContact CD2-CG 4.39Å; L727-W768 HydrophobicContact CD2-CH2 4.25Å; L727-W768 HydrophobicContact CD2-CZ2 4.43Å; L727-W768 HydrophobicContact CD2-CZ3 3.82Å; L727-W768 HydrophobicContact CG-CH2 4.43Å; L727-W768 HydrophobicContact CG-CZ2 4.43Å; L727-W768 HydrophobicContact CG-CZ3 4.47Å |
| 728 | K | 94 | Very high | 94.1 | Very high | 19 Ų | 19 | 17.7 Ų | 17.7 | 8% | 0.083 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.9 | -50.3 | 174.3 | -165.5 | 173.6 | 174.7 | 177.3 | 0 | 111.2 | S498 F724 T725 R726 A730 T731 H732 L757 | S498-K728 WeakPolarHBondContact OG-CD 3.31Å; F724-K728 HydrophobicContact CE1-CD 4.27Å; F724-K728 VanDerWaalsContact O-CB 3.31Å; F724-K728 WeakPolarHBondContact O-CB 3.34Å; F724-K728 PolarHBondContact O-N 3.43Å; T725-K728 WeakPolarHBondContact O-CB 3.13Å; T725-K728 PolarHBondContact O-N 3.47Å; R726-K728 VanDerWaalsContact C-N 3.25Å; R726-K728 PolarHBondContact O-N 2.94Å; K728-A730 VanDerWaalsContact C-N 3.35Å; K728-A730 PolarHBondContact O-N 2.85Å; K728-T731 WeakPolarHBondContact O-CB 3.18Å; K728-T731 PolarHBondContact O-N 2.82Å; K728-H732 PolarHBondContact O-CD2 2.95Å; K728-H732 PolarHBondContact O-N 3Å; K728-L757 HydrophobicContact CG-CD2 3.6Å |
| 729 | S | 93.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -55.4 | -47.2 | 173.6 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | S498 W610 T725 R726 T731 H732 L733 | S498-S729 WeakPolarHBondContact CA-OG 3.31Å; W610-S729 WeakPolarHBondContact CB-O 3.07Å; T725-S729 PolarHBondContact O-N 3.11Å; T725-S729 VanDerWaalsContact O-N 3.11Å; T725-S729 PolarHBondContact O-OG 3.4Å; R726-S729 WeakPolarHBondContact O-CB 3.37Å; R726-S729 PolarHBondContact O-N 3.34Å; S729-T731 VanDerWaalsContact C-N 3.32Å; S729-T731 PolarHBondContact O-N 2.87Å; S729-H732 PolarHBondContact O-N 3.04Å; S729-L733 PolarHBondContact O-N 3Å |
| 730 | A | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | F606 E607 Y645 L648 R726 L727 K728 L733 V734 | F606-A730 HydrophobicContact CD1-CB 3.81Å; F606-A730 HydrophobicContact CE1-CB 3.83Å; E607-A730 HydrophobicContact CB-CB 4.45Å; Y645-A730 HydrophobicContact CD2-CB 3.97Å; Y645-A730 HydrophobicContact CE2-CB 4.27Å; L648-A730 HydrophobicContact CD1-CB 3.35Å; R726-A730 PolarHBondContact O-N 2.83Å; L727-A730 PolarHBondContact O-N 3.35Å; K728-A730 VanDerWaalsContact C-N 3.35Å; K728-A730 PolarHBondContact O-N 2.85Å; A730-L733 WeakPolarHBondContact O-CB 3.49Å; A730-L733 PolarHBondContact O-N 2.8Å; A730-V734 WeakPolarHBondContact O-CG2 3.39Å; A730-V734 PolarHBondContact O-N 3.36Å |
| 731 | T | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 176.9 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | Y645 L727 K728 S729 L733 V734 I735 F756 L757 W768 | Y645-T731 VanDerWaalsContact CE2-OG1 3.25Å; Y645-T731 WeakPolarHBondContact CE2-OG1 3.47Å; Y645-T731 WeakPolarHBondContact OH-CG2 3.39Å; Y645-T731 PolarHBondContact OH-OG1 3.42Å; L727-T731 VanDerWaalsContact O-CB 3.26Å; L727-T731 WeakPolarHBondContact O-CB 3.22Å; L727-T731 PolarHBondContact O-N 3.18Å; L727-T731 PolarHBondContact O-OG1 3.08Å; K728-T731 WeakPolarHBondContact O-CB 3.18Å; K728-T731 PolarHBondContact O-N 2.82Å; S729-T731 VanDerWaalsContact C-N 3.32Å; S729-T731 PolarHBondContact O-N 2.87Å; T731-L733 VanDerWaalsContact C-N 3.3Å; T731-L733 PolarHBondContact O-N 2.86Å; T731-V734 PolarHBondContact O-N 2.91Å; T731-I735 HydrophobicContact CG2-CD1 3.98Å; T731-I735 HydrophobicContact CG2-CG1 4.48Å; T731-I735 VanDerWaalsContact O-CG1 3.28Å; T731-I735 WeakPolarHBondContact O-CG1 3.45Å; T731-I735 PolarHBondContact O-N 3.11Å; T731-F756 HydrophobicContact CG2-CB 3.62Å; T731-F756 HydrophobicContact CG2-CD1 4.01Å; T731-F756 HydrophobicContact CG2-CG 4.23Å; T731-L757 HydrophobicContact CG2-CD2 3.75Å; T731-L757 HydrophobicContact CG2-CG 4.03Å; T731-W768 HydrophobicContact CG2-CZ2 4.28Å |
| 732 | H | 94.7 | Very high | 93.9 | Very high | 9 Ų | 9 | 17.3 Ų | 17.3 | 4% | 0.042 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56.9 | -44.2 | 173.4 | -79.4 | -75.9 | 0 | 0 | 0 | 112.1 | E499 W610 K728 S729 I735 L736 L757 | E499-H732 IonicContact OE1-CE1 2.72Å; E499-H732 PolarHBondContact OE1-CE1 3.44Å; E499-H732 IonicContact OE1-ND1 3.74Å; E499-H732 PolarHBondContact OE1-ND1 3.49Å; E499-H732 IonicContact OE1-NE2 3.51Å; E499-H732 PolarHBondContact OE1-NE2 2.95Å; W610-H732 HydrophobicContact CD2-CB 3.61Å; W610-H732 AromaticContact CE2-CG 3.92Å; W610-H732 HydrophobicContact CE3-CB 4Å; W610-H732 HydrophobicContact CG-CB 4.19Å; W610-H732 HydrophobicContact CH2-CB 3.84Å; W610-H732 HydrophobicContact CZ2-CB 3.47Å; W610-H732 VanDerWaalsContact CZ2-CB 3.47Å; W610-H732 AromaticContact CZ2-CG 3.9Å; W610-H732 HydrophobicContact CZ3-CB 4.08Å; W610-H732 WeakPolarHBondContact CZ3-O 3.32Å; W610-H732 AromaticContact NE1-CG 3.97Å; K728-H732 PolarHBondContact O-CD2 2.95Å; K728-H732 PolarHBondContact O-N 3Å; S729-H732 PolarHBondContact O-N 3.04Å; H732-I735 PolarHBondContact O-N 3.31Å; H732-L736 WeakPolarHBondContact O-CB 3.47Å; H732-L736 PolarHBondContact O-N 3.37Å; H732-L757 WeakPolarHBondContact CE1-CD1 3.43Å; H732-L757 WeakPolarHBondContact ND1-CD1 3.42Å |
| 733 | L | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 176 | 179.1 | 58.9 | 0 | 0 | 0 | 111.7 | I548 F606 L609 W610 T613 S729 A730 T731 I735 L736 L737 | I548-L733 HydrophobicContact CD1-CD1 3.87Å; I548-L733 HydrophobicContact CD1-CD2 3.6Å; I548-L733 HydrophobicContact CD1-CG 3.99Å; F606-L733 HydrophobicContact CE1-CD2 4.2Å; F606-L733 HydrophobicContact CE2-CD2 3.9Å; F606-L733 HydrophobicContact CZ-CD2 3.72Å; F606-L733 HydrophobicContact CZ-CG 4.27Å; L609-L733 HydrophobicContact CB-CD2 3.74Å; W610-L733 HydrophobicContact CB-CB 4.04Å; W610-L733 HydrophobicContact CD2-CB 4.43Å; W610-L733 VanDerWaalsContact CE3-CA 3.47Å; W610-L733 HydrophobicContact CE3-CB 3.9Å; W610-L733 HydrophobicContact CE3-CD1 4.27Å; T613-L733 HydrophobicContact CG2-CD1 4.31Å; S729-L733 PolarHBondContact O-N 3Å; A730-L733 WeakPolarHBondContact O-CB 3.49Å; A730-L733 PolarHBondContact O-N 2.8Å; T731-L733 VanDerWaalsContact C-N 3.3Å; T731-L733 PolarHBondContact O-N 2.86Å; L733-I735 PolarHBondContact O-N 2.85Å; L733-L736 PolarHBondContact O-N 2.86Å; L733-L737 HydrophobicContact CD1-CD1 4.36Å; L733-L737 HydrophobicContact CD1-CG 4.19Å; L733-L737 HydrophobicContact CG-CD1 4.23Å; L733-L737 HydrophobicContact CG-CG 4.47Å; L733-L737 VanDerWaalsContact O-CG 3.22Å; L733-L737 WeakPolarHBondContact O-CG 3.45Å; L733-L737 PolarHBondContact O-N 2.98Å |
| 734 | V | 95.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | F606 I640 Y645 A730 T731 L736 L737 I738 | F606-V734 HydrophobicContact CE1-CG2 4.28Å; F606-V734 HydrophobicContact CZ-CG2 4.23Å; I640-V734 HydrophobicContact CG2-CG1 4.16Å; Y645-V734 HydrophobicContact CD1-CG1 4.5Å; Y645-V734 HydrophobicContact CD1-CG2 4.05Å; Y645-V734 HydrophobicContact CD2-CG2 4.08Å; Y645-V734 HydrophobicContact CE1-CG1 4.43Å; Y645-V734 HydrophobicContact CE1-CG2 4.45Å; Y645-V734 HydrophobicContact CE2-CG2 4.5Å; Y645-V734 HydrophobicContact CG-CG2 3.83Å; A730-V734 WeakPolarHBondContact O-CG2 3.39Å; A730-V734 PolarHBondContact O-N 3.36Å; T731-V734 PolarHBondContact O-N 2.91Å; V734-L736 PolarHBondContact O-N 3.44Å; V734-L737 PolarHBondContact O-N 2.8Å; V734-I738 HydrophobicContact CG1-CD1 3.69Å; V734-I738 HydrophobicContact CG1-CG1 4.36Å; V734-I738 WeakPolarHBondContact O-CB 3.16Å; V734-I738 VanDerWaalsContact O-CG1 3.23Å; V734-I738 WeakPolarHBondContact O-CG1 3.3Å; V734-I738 PolarHBondContact O-N 3.44Å |
| 735 | I | 95.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 175.5 | -66.4 | 162.8 | 0 | 0 | 0 | 110.6 | T731 H732 L733 L737 I738 A739 V749 L752 E753 F756 L757 | T731-I735 HydrophobicContact CG2-CD1 3.98Å; T731-I735 HydrophobicContact CG2-CG1 4.48Å; T731-I735 VanDerWaalsContact O-CG1 3.28Å; T731-I735 WeakPolarHBondContact O-CG1 3.45Å; T731-I735 PolarHBondContact O-N 3.11Å; H732-I735 PolarHBondContact O-N 3.31Å; L733-I735 PolarHBondContact O-N 2.85Å; I735-L737 PolarHBondContact O-N 2.98Å; I735-I738 PolarHBondContact O-N 2.85Å; I735-A739 WeakPolarHBondContact O-CB 3.39Å; I735-A739 PolarHBondContact O-N 3.3Å; I735-V749 HydrophobicContact CG2-CG1 4.25Å; I735-L752 HydrophobicContact CG2-CB 4.05Å; I735-E753 HydrophobicContact CD1-CG 4.35Å; I735-E753 HydrophobicContact CG2-CG 4.19Å; I735-F756 HydrophobicContact CD1-CB 3.8Å; I735-F756 HydrophobicContact CD1-CG 4.48Å; I735-F756 HydrophobicContact CG1-CB 4.29Å; I735-F756 HydrophobicContact CG1-CG 4.46Å; I735-L757 HydrophobicContact CD1-CD1 3.63Å; I735-L757 HydrophobicContact CD1-CG 4.07Å |
| 736 | L | 94.5 | Very high | 93.5 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 16% | 0.157 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 176.8 | 174.9 | 70.3 | 0 | 0 | 0 | 111.3 | W610 T613 I617 H732 L733 V734 I738 A739 L740 | W610-L736 HydrophobicContact CE3-CD2 4.26Å; W610-L736 HydrophobicContact CH2-CB 4.45Å; W610-L736 HydrophobicContact CH2-CD2 4.49Å; W610-L736 HydrophobicContact CZ3-CB 3.72Å; W610-L736 HydrophobicContact CZ3-CD2 3.56Å; W610-L736 HydrophobicContact CZ3-CG 4.2Å; T613-L736 HydrophobicContact CG2-CD2 3.89Å; I617-L736 HydrophobicContact CD1-CD1 4Å; I617-L736 HydrophobicContact CD1-CD2 3.66Å; I617-L736 HydrophobicContact CD1-CG 4.24Å; H732-L736 WeakPolarHBondContact O-CB 3.47Å; H732-L736 PolarHBondContact O-N 3.37Å; L733-L736 PolarHBondContact O-N 2.86Å; V734-L736 PolarHBondContact O-N 3.44Å; L736-I738 PolarHBondContact O-N 3.13Å; L736-A739 WeakPolarHBondContact O-CB 3.28Å; L736-A739 PolarHBondContact O-N 3.38Å; L736-L740 HydrophobicContact CD1-CD1 4.14Å; L736-L740 HydrophobicContact CD1-CG 4.18Å; L736-L740 HydrophobicContact CG-CD1 4.06Å; L736-L740 HydrophobicContact CG-CG 4.41Å; L736-L740 WeakPolarHBondContact O-CB 3.3Å; L736-L740 VanDerWaalsContact O-CG 3.27Å; L736-L740 WeakPolarHBondContact O-CG 3.46Å; L736-L740 PolarHBondContact O-N 2.88Å |
| 737 | L | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 178.5 | -67.2 | 177.8 | 0 | 0 | 0 | 111.8 | I548 I550 F636 P641 L733 V734 I735 A739 L740 W741 | I548-L737 HydrophobicContact CD1-CD1 3.97Å; I548-L737 HydrophobicContact CG2-CD2 3.85Å; I550-L737 HydrophobicContact CD1-CD2 3.97Å; F636-L737 HydrophobicContact CB-CD2 4.42Å; F636-L737 HydrophobicContact CD1-CB 4.21Å; F636-L737 HydrophobicContact CD1-CD2 4.14Å; F636-L737 HydrophobicContact CD2-CD2 3.81Å; F636-L737 HydrophobicContact CE1-CB 4.42Å; F636-L737 HydrophobicContact CE1-CD1 4.5Å; F636-L737 HydrophobicContact CE1-CD2 4.33Å; F636-L737 HydrophobicContact CE2-CD2 4.03Å; F636-L737 HydrophobicContact CG-CD2 3.86Å; F636-L737 HydrophobicContact CZ-CD1 4.46Å; F636-L737 HydrophobicContact CZ-CD2 4.29Å; P641-L737 HydrophobicContact CG-CD1 3.86Å; L733-L737 HydrophobicContact CD1-CD1 4.36Å; L733-L737 HydrophobicContact CD1-CG 4.19Å; L733-L737 HydrophobicContact CG-CD1 4.23Å; L733-L737 HydrophobicContact CG-CG 4.47Å; L733-L737 VanDerWaalsContact O-CG 3.22Å; L733-L737 WeakPolarHBondContact O-CG 3.45Å; L733-L737 PolarHBondContact O-N 2.98Å; V734-L737 PolarHBondContact O-N 2.8Å; I735-L737 PolarHBondContact O-N 2.98Å; L737-A739 VanDerWaalsContact C-N 3.33Å; L737-A739 PolarHBondContact O-N 2.92Å; L737-L740 PolarHBondContact O-N 2.85Å; L737-W741 WeakPolarHBondContact O-CB 3.49Å; L737-W741 PolarHBondContact O-N 2.81Å |
| 738 | I | 93.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.2 | -69.6 | 164.7 | 0 | 0 | 0 | 110.3 | I640 V734 I735 L736 W741 Q742 L744 L752 L819 | I640-I738 HydrophobicContact CD1-CD1 4.4Å; I640-I738 HydrophobicContact CD1-CG1 3.49Å; I640-I738 VanDerWaalsContact CD1-CG1 3.49Å; I640-I738 HydrophobicContact CG1-CG1 4.3Å; V734-I738 HydrophobicContact CG1-CD1 3.69Å; V734-I738 HydrophobicContact CG1-CG1 4.36Å; V734-I738 WeakPolarHBondContact O-CB 3.16Å; V734-I738 VanDerWaalsContact O-CG1 3.23Å; V734-I738 WeakPolarHBondContact O-CG1 3.3Å; V734-I738 PolarHBondContact O-N 3.44Å; I735-I738 PolarHBondContact O-N 2.85Å; L736-I738 PolarHBondContact O-N 3.13Å; I738-W741 PolarHBondContact O-N 3.44Å; I738-Q742 PolarHBondContact O-N 2.95Å; I738-L744 HydrophobicContact CG2-CD1 3.89Å; I738-L752 HydrophobicContact CG2-CD1 3.97Å; I738-L819 HydrophobicContact CG2-CD1 3.88Å |
| 739 | A | 93.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I735 L736 L737 K743 L744 V749 | I735-A739 WeakPolarHBondContact O-CB 3.39Å; I735-A739 PolarHBondContact O-N 3.3Å; L736-A739 WeakPolarHBondContact O-CB 3.28Å; L736-A739 PolarHBondContact O-N 3.38Å; L737-A739 VanDerWaalsContact C-N 3.33Å; L737-A739 PolarHBondContact O-N 2.92Å; A739-K743 WeakPolarHBondContact O-CA 3.46Å; A739-K743 PolarHBondContact O-N 2.83Å; A739-L744 HydrophobicContact CB-CB 4.35Å; A739-L744 HydrophobicContact CB-CD1 4.42Å; A739-L744 PolarHBondContact O-N 3.04Å; A739-L744 VanDerWaalsContact O-N 3.11Å; A739-V749 HydrophobicContact CB-CG2 3.64Å |
| 740 | L | 92.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.9 | -29.8 | 177.7 | -65.2 | 178.9 | 0 | 0 | 0 | 113.2 | I550 I617 C634 F636 L736 L737 | I550-L740 HydrophobicContact CD1-CD1 3.99Å; I617-L740 HydrophobicContact CD1-CD1 3.82Å; C634-L740 HydrophobicContact CB-CD1 4.4Å; C634-L740 HydrophobicContact CB-CD2 3.72Å; F636-L740 HydrophobicContact CB-CB 3.92Å; F636-L740 PolarHBondContact N-O 3.44Å; L736-L740 HydrophobicContact CD1-CD1 4.14Å; L736-L740 HydrophobicContact CD1-CG 4.18Å; L736-L740 HydrophobicContact CG-CD1 4.06Å; L736-L740 HydrophobicContact CG-CG 4.41Å; L736-L740 WeakPolarHBondContact O-CB 3.3Å; L736-L740 VanDerWaalsContact O-CG 3.27Å; L736-L740 WeakPolarHBondContact O-CG 3.46Å; L736-L740 PolarHBondContact O-N 2.88Å; L737-L740 PolarHBondContact O-N 2.85Å |
| 741 | W | 92.9 | Very high | 93 | Very high | 81 Ų | 81 | 37 Ų | 37 | 31% | 0.307 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -74.3 | -46.4 | 178.5 | 179.4 | 50.5 | 0 | 0 | 0 | 111.9 | F636 I640 L737 I738 | F636-W741 HydrophobicContact CD1-CB 4.34Å; I640-W741 HydrophobicContact CD1-CD2 4.29Å; I640-W741 HydrophobicContact CD1-CE3 3.45Å; I640-W741 VanDerWaalsContact CD1-CE3 3.45Å; I640-W741 HydrophobicContact CD1-CH2 4.36Å; I640-W741 HydrophobicContact CD1-CZ3 3.5Å; I640-W741 HydrophobicContact CG1-CE3 4.17Å; I640-W741 HydrophobicContact CG1-CZ3 4.47Å; L737-W741 WeakPolarHBondContact O-CB 3.49Å; L737-W741 PolarHBondContact O-N 2.81Å; I738-W741 PolarHBondContact O-N 3.44Å |
| 742 | Q | 90.9 | Very high | 92.9 | Very high | 29 Ų | 29 | 37 Ų | 37 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -98.1 | -1.7 | -176 | -65.8 | -59.3 | -34.4 | 0 | 0 | 114.5 | I738 L744 L819 R824 | I738-Q742 PolarHBondContact O-N 2.95Å; Q742-L744 HydrophobicContact CB-CD2 4.12Å; Q742-L744 HydrophobicContact CB-CG 4.2Å; Q742-L819 HydrophobicContact CG-CB 4.24Å; Q742-L819 PolarHBondContact OE1-O 3.36Å; Q742-R824 PolarHBondContact O-NH2 2.93Å |
| 743 | K | 89.9 | Confident | 92.8 | Very high | 171 Ų | 171 | 40.7 Ų | 40.7 | 74% | 0.743 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 54.5 | -176.1 | -56.6 | -179.2 | -179.9 | -178.7 | 0 | 111.4 | A739 | A739-K743 WeakPolarHBondContact O-CA 3.46Å; A739-K743 PolarHBondContact O-N 2.83Å |
| 744 | L | 90.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | trans | -68.8 | 148.7 | -179.8 | -63.2 | 178.7 | 0 | 0 | 0 | 111.3 | I738 A739 Q742 Q748 V749 L752 | I738-L744 HydrophobicContact CG2-CD1 3.89Å; A739-L744 HydrophobicContact CB-CB 4.35Å; A739-L744 HydrophobicContact CB-CD1 4.42Å; A739-L744 PolarHBondContact O-N 3.04Å; A739-L744 VanDerWaalsContact O-N 3.11Å; Q742-L744 HydrophobicContact CB-CD2 4.12Å; Q742-L744 HydrophobicContact CB-CG 4.2Å; L744-Q748 HydrophobicContact CB-CB 4.09Å; L744-Q748 HydrophobicContact CD2-CB 4.31Å; L744-V749 HydrophobicContact CB-CG2 3.98Å; L744-L752 HydrophobicContact CD1-CD1 3.37Å | ||
| 745 | S | 91.4 | Very high | 92.6 | Very high | 54 Ų | 54 | 44.3 Ų | 44.3 | 38% | 0.378 | 25% | 0.254 | S | S | . | . | trans | -75.6 | 162.5 | 171.7 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | D747 Q748 V749 | S745-D747 VanDerWaalsContact C-N 3.27Å; S745-D747 PolarHBondContact O-N 3.09Å; S745-Q748 PolarHBondContact O-N 3.19Å; S745-Q748 WeakPolarHBondContact OG-CG 3.42Å; S745-Q748 PolarHBondContact OG-N 3.45Å; S745-V749 WeakPolarHBondContact O-CG2 3.32Å; S745-V749 PolarHBondContact O-N 2.89Å | ||
| 746 | A | 90.4 | Very high | 92.6 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -54.3 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q748 V749 A750 | A746-Q748 VanDerWaalsContact C-N 3.33Å; A746-Q748 PolarHBondContact O-N 2.9Å; A746-V749 PolarHBondContact O-N 2.91Å; A746-A750 WeakPolarHBondContact O-CB 3.39Å; A746-A750 PolarHBondContact O-N 3.01Å |
| 747 | D | 91.3 | Very high | 92.4 | Very high | 124 Ų | 124 | 44.3 Ų | 44.3 | 66% | 0.663 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 177 | -56.6 | -31.7 | 0 | 0 | 0 | 112.2 | S745 A750 I751 | S745-D747 VanDerWaalsContact C-N 3.27Å; S745-D747 PolarHBondContact O-N 3.09Å; D747-A750 PolarHBondContact O-N 2.79Å; D747-I751 VanDerWaalsContact O-CG1 3.28Å; D747-I751 WeakPolarHBondContact O-CG1 3.5Å; D747-I751 PolarHBondContact O-N 3.02Å |
| 748 | Q | 92.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.3 | -35.3 | 177.6 | -71.4 | 177.7 | -4.2 | 0 | 0 | 112 | L744 S745 A746 I751 L752 L825 | L744-Q748 HydrophobicContact CB-CB 4.09Å; L744-Q748 HydrophobicContact CD2-CB 4.31Å; S745-Q748 PolarHBondContact O-N 3.19Å; S745-Q748 WeakPolarHBondContact OG-CG 3.42Å; S745-Q748 PolarHBondContact OG-N 3.45Å; A746-Q748 VanDerWaalsContact C-N 3.33Å; A746-Q748 PolarHBondContact O-N 2.9Å; Q748-I751 PolarHBondContact O-N 3.16Å; Q748-L752 PolarHBondContact O-N 3.17Å; Q748-L752 VanDerWaalsContact O-N 3.08Å; Q748-L825 HydrophobicContact CG-CB 4.3Å |
| 749 | V | 92.7 | Very high | 91.5 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 171.6 | 176.9 | 0 | 0 | 0 | 0 | 110 | I735 A739 L744 S745 A746 I751 L752 E753 | I735-V749 HydrophobicContact CG2-CG1 4.25Å; A739-V749 HydrophobicContact CB-CG2 3.64Å; L744-V749 HydrophobicContact CB-CG2 3.98Å; S745-V749 WeakPolarHBondContact O-CG2 3.32Å; S745-V749 PolarHBondContact O-N 2.89Å; A746-V749 PolarHBondContact O-N 2.91Å; V749-I751 VanDerWaalsContact C-N 3.31Å; V749-I751 PolarHBondContact O-N 2.88Å; V749-L752 CarbonylContact O-C 3.47Å; V749-L752 WeakPolarHBondContact O-CA 3.35Å; V749-L752 WeakPolarHBondContact O-CB 3.32Å; V749-L752 PolarHBondContact O-N 3.17Å; V749-E753 HydrophobicContact CG1-CG 4.27Å; V749-E753 WeakPolarHBondContact O-CG 3.43Å; V749-E753 PolarHBondContact O-N 3.29Å |
| 750 | A | 92.4 | Very high | 90.9 | Very high | 50 Ų | 50 | 54 Ų | 54 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A746 D747 E753 A754 | A746-A750 WeakPolarHBondContact O-CB 3.39Å; A746-A750 PolarHBondContact O-N 3.01Å; D747-A750 PolarHBondContact O-N 2.79Å; A750-E753 PolarHBondContact O-N 3.45Å; A750-A754 VanDerWaalsContact O-CB 3.31Å; A750-A754 WeakPolarHBondContact O-CB 3.35Å; A750-A754 PolarHBondContact O-N 2.81Å |
| 751 | I | 93.4 | Very high | 90.5 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 172.6 | -67.1 | 164.4 | 0 | 0 | 0 | 110.9 | D747 Q748 V749 A755 L779 L825 L827 | D747-I751 VanDerWaalsContact O-CG1 3.28Å; D747-I751 WeakPolarHBondContact O-CG1 3.5Å; D747-I751 PolarHBondContact O-N 3.02Å; Q748-I751 PolarHBondContact O-N 3.16Å; V749-I751 VanDerWaalsContact C-N 3.31Å; V749-I751 PolarHBondContact O-N 2.88Å; I751-A755 VanDerWaalsContact O-CB 3.31Å; I751-A755 WeakPolarHBondContact O-CB 3.43Å; I751-A755 PolarHBondContact O-N 2.77Å; I751-L779 HydrophobicContact CG2-CD1 4.06Å; I751-L779 HydrophobicContact CG2-CD2 3.83Å; I751-L825 HydrophobicContact CD1-CB 4.26Å; I751-L825 HydrophobicContact CG2-CB 4.3Å; I751-L825 HydrophobicContact CG2-CD1 4.33Å; I751-L827 HydrophobicContact CD1-CD1 4.42Å; I751-L827 HydrophobicContact CD1-CD2 4.41Å; I751-L827 HydrophobicContact CD1-CG 3.96Å; I751-L827 HydrophobicContact CG1-CD1 4.23Å; I751-L827 HydrophobicContact CG1-CD2 4.18Å; I751-L827 HydrophobicContact CG1-CG 4.08Å |
| 752 | L | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.6 | -45 | 176.5 | -74 | 179.1 | 0 | 0 | 0 | 111.9 | I735 I738 L744 Q748 V749 A754 A755 F756 L815 L825 | I735-L752 HydrophobicContact CG2-CB 4.05Å; I738-L752 HydrophobicContact CG2-CD1 3.97Å; L744-L752 HydrophobicContact CD1-CD1 3.37Å; Q748-L752 PolarHBondContact O-N 3.17Å; Q748-L752 VanDerWaalsContact O-N 3.08Å; V749-L752 CarbonylContact O-C 3.47Å; V749-L752 WeakPolarHBondContact O-CA 3.35Å; V749-L752 WeakPolarHBondContact O-CB 3.32Å; V749-L752 PolarHBondContact O-N 3.17Å; L752-A754 VanDerWaalsContact C-N 3.32Å; L752-A754 PolarHBondContact O-N 2.82Å; L752-A755 PolarHBondContact O-N 2.77Å; L752-F756 HydrophobicContact CD2-CD2 4.19Å; L752-F756 HydrophobicContact CD2-CE2 3.93Å; L752-F756 WeakPolarHBondContact O-CB 3.47Å; L752-F756 WeakPolarHBondContact O-CD2 3.27Å; L752-F756 PolarHBondContact O-N 2.94Å; L752-L815 HydrophobicContact CD2-CD2 4.22Å; L752-L825 HydrophobicContact CD1-CD1 4.26Å; L752-L825 HydrophobicContact CD2-CD1 3.56Å; L752-L825 HydrophobicContact CG-CD1 3.57Å |
| 753 | E | 93.2 | Very high | 90.1 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 175 | -72.6 | 176.9 | 175.7 | 0 | 0 | 110.7 | I735 V749 A750 A755 L757 | I735-E753 HydrophobicContact CD1-CG 4.35Å; I735-E753 HydrophobicContact CG2-CG 4.19Å; V749-E753 HydrophobicContact CG1-CG 4.27Å; V749-E753 WeakPolarHBondContact O-CG 3.43Å; V749-E753 PolarHBondContact O-N 3.29Å; A750-E753 PolarHBondContact O-N 3.45Å; E753-A755 VanDerWaalsContact C-N 3.32Å; E753-A755 PolarHBondContact O-N 3.39Å; E753-L757 HydrophobicContact CB-CD1 4.46Å; E753-L757 HydrophobicContact CG-CD1 4.45Å; E753-L757 WeakPolarHBondContact O-CA 3.31Å; E753-L757 VanDerWaalsContact O-CB 3.26Å; E753-L757 WeakPolarHBondContact O-CB 3.48Å; E753-L757 PolarHBondContact O-N 2.9Å |
| 754 | A | 93.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 56.6 Ų | 56.6 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.7 | -34.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A750 L752 | A750-A754 VanDerWaalsContact O-CB 3.31Å; A750-A754 WeakPolarHBondContact O-CB 3.35Å; A750-A754 PolarHBondContact O-N 2.81Å; L752-A754 VanDerWaalsContact C-N 3.32Å; L752-A754 PolarHBondContact O-N 2.82Å |
| 755 | A | 93.4 | Very high | 89.5 | Confident | 6 Ų | 6 | 64 Ų | 64 | 5% | 0.05 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -79.2 | -36.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I751 L752 E753 A775 L779 | I751-A755 VanDerWaalsContact O-CB 3.31Å; I751-A755 WeakPolarHBondContact O-CB 3.43Å; I751-A755 PolarHBondContact O-N 2.77Å; L752-A755 PolarHBondContact O-N 2.77Å; E753-A755 VanDerWaalsContact C-N 3.32Å; E753-A755 PolarHBondContact O-N 3.39Å; A755-A775 HydrophobicContact CB-CB 3.96Å; A755-L779 HydrophobicContact CB-CD1 3.73Å |
| 756 | F | 93.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -97.1 | -20.4 | -175.1 | -85.1 | -92.1 | 0 | 0 | 0 | 113.8 | T731 I735 L752 P758 W768 V772 I776 I812 L815 | T731-F756 HydrophobicContact CG2-CB 3.62Å; T731-F756 HydrophobicContact CG2-CD1 4.01Å; T731-F756 HydrophobicContact CG2-CG 4.23Å; I735-F756 HydrophobicContact CD1-CB 3.8Å; I735-F756 HydrophobicContact CD1-CG 4.48Å; I735-F756 HydrophobicContact CG1-CB 4.29Å; I735-F756 HydrophobicContact CG1-CG 4.46Å; L752-F756 HydrophobicContact CD2-CD2 4.19Å; L752-F756 HydrophobicContact CD2-CE2 3.93Å; L752-F756 WeakPolarHBondContact O-CB 3.47Å; L752-F756 WeakPolarHBondContact O-CD2 3.27Å; L752-F756 PolarHBondContact O-N 2.94Å; F756-P758 WeakPolarHBondContact O-CD 3.48Å; F756-W768 PolarHBondContact O-NE1 2.85Å; F756-V772 HydrophobicContact CD1-CG1 3.96Å; F756-V772 HydrophobicContact CE1-CG1 4.32Å; F756-V772 HydrophobicContact CG-CG1 4.38Å; F756-I776 HydrophobicContact CD1-CD1 4.36Å; F756-I776 HydrophobicContact CE1-CD1 3.68Å; F756-I776 HydrophobicContact CE2-CD1 3.88Å; F756-I776 HydrophobicContact CE2-CG1 4.12Å; F756-I776 HydrophobicContact CZ-CD1 3.4Å; F756-I776 VanDerWaalsContact CZ-CD1 3.4Å; F756-I776 HydrophobicContact CZ-CG1 4.14Å; F756-I812 HydrophobicContact CE1-CD1 4.23Å; F756-I812 HydrophobicContact CE1-CG1 3.98Å; F756-I812 HydrophobicContact CE1-CG2 4.49Å; F756-I812 HydrophobicContact CZ-CG1 4.26Å; F756-L815 HydrophobicContact CE2-CD2 3.59Å; F756-L815 HydrophobicContact CZ-CD2 3.79Å |
| 757 | L | 91.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | trans | -123.8 | 57.6 | -179 | -57 | 157.8 | 0 | 0 | 0 | 111.1 | K728 T731 H732 I735 E753 L759 | K728-L757 HydrophobicContact CG-CD2 3.6Å; T731-L757 HydrophobicContact CG2-CD2 3.75Å; T731-L757 HydrophobicContact CG2-CG 4.03Å; H732-L757 WeakPolarHBondContact CE1-CD1 3.43Å; H732-L757 WeakPolarHBondContact ND1-CD1 3.42Å; I735-L757 HydrophobicContact CD1-CD1 3.63Å; I735-L757 HydrophobicContact CD1-CG 4.07Å; E753-L757 HydrophobicContact CB-CD1 4.46Å; E753-L757 HydrophobicContact CG-CD1 4.45Å; E753-L757 WeakPolarHBondContact O-CA 3.31Å; E753-L757 VanDerWaalsContact O-CB 3.26Å; E753-L757 WeakPolarHBondContact O-CB 3.48Å; E753-L757 PolarHBondContact O-N 2.9Å; L757-L759 PolarHBondContact O-N 2.95Å | ||
| 758 | P | 83.8 | Confident | 89.8 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 32% | 0.318 | 29% | 0.291 | S | S | . | . | trans | -73.8 | -26.7 | -173 | 27.9 | -33.7 | 0 | 0 | 0 | 113.8 | F756 T771 V772 | F756-P758 WeakPolarHBondContact O-CD 3.48Å; P758-T771 VanDerWaalsContact CG-OG1 3.23Å; P758-T771 WeakPolarHBondContact CG-OG1 3.13Å; P758-V772 HydrophobicContact CG-CG2 4.01Å | ||
| 759 | L | 85.4 | Confident | 89.9 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -125.4 | 156.5 | -165.7 | -59.2 | 170 | 0 | 0 | 0 | 112 | F724 L757 L766 G767 T771 | F724-L759 HydrophobicContact CZ-CB 4.46Å; L757-L759 PolarHBondContact O-N 2.95Å; L759-L766 HydrophobicContact CD1-CD2 4.45Å; L759-L766 HydrophobicContact CD1-CG 4.31Å; L759-L766 HydrophobicContact CD2-CD2 3.85Å; L759-G767 VanDerWaalsContact CD1-C 3.49Å; L759-T771 HydrophobicContact CD1-CG2 4Å; L759-T771 HydrophobicContact CG-CG2 4.49Å | ||
| 760 | Q | 81.6 | Confident | 89.9 | Confident | 139 Ų | 139 | 52 Ų | 52 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -89.5 | -27.8 | 170.7 | -68.4 | 78.5 | 12.6 | 0 | 0 | 112.9 | F724 | F724-Q760 VanDerWaalsContact CE1-C 3.46Å; F724-Q760 WeakPolarHBondContact CE1-O 3.29Å |
| 761 | E | 84.3 | Confident | 90 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -157.8 | 159.3 | 177.1 | 65.2 | -173 | -176.3 | 0 | 0 | 109.9 | F721 | F721-E761 HydrophobicContact CD2-CB 4.23Å; F721-E761 HydrophobicContact CE2-CB 3.96Å |
| 762 | D | 86.3 | Confident | 90 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | trans | -74.3 | 134.8 | 169.1 | -62.5 | -91.8 | 0 | 0 | 0 | 110.7 | H652 R656 F724 G767 W768 | H652-D762 IonicContact CE1-OD1 3.26Å; H652-D762 PolarHBondContact CE1-OD1 2.94Å; H652-D762 IonicContact CE1-OD2 3.67Å; H652-D762 PolarHBondContact CE1-OD2 2.79Å; H652-D762 VanDerWaalsContact CE1-OD2 3.26Å; H652-D762 IonicContact NE2-OD1 3.93Å; H652-D762 IonicContact NE2-OD2 3.97Å; H652-D762 PolarHBondContact NE2-OD2 3.41Å; R656-D762 IonicContact CZ-OD1 3.62Å; R656-D762 IonicContact NH1-OD1 3.63Å; R656-D762 PolarHBondContact NH1-OD1 3.13Å; F724-D762 WeakPolarHBondContact CD2-OD2 3.49Å; D762-G767 WeakPolarHBondContact OD1-CA 3.07Å; D762-W768 PolarHBondContact OD1-N 2.99Å | ||
| 763 | T | 88.8 | Confident | 90 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | trans | -105.8 | 167 | 168.9 | 67.3 | 0 | 0 | 0 | 0 | 109.5 | E765 L766 | T763-E765 VanDerWaalsContact C-N 3.26Å; T763-E765 PolarHBondContact O-N 3.49Å; T763-L766 WeakPolarHBondContact CA-O 3.4Å; T763-L766 PolarHBondContact N-O 3.07Å; T763-L766 PolarHBondContact OG1-N 2.81Å; T763-L766 PolarHBondContact OG1-O 3.07Å | ||
| 764 | Q | 83.4 | Confident | 90 | Very high | 154 Ų | 154 | 46.9 Ų | 46.9 | 72% | 0.72 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -61.1 | -33.6 | 178.5 | -72 | -177.6 | -23.9 | 0 | 0 | 113.1 | E663 | E663-Q764 PolarHBondContact OE1-NE2 3.09Å; E663-Q764 PolarHBondContact OE2-NE2 2.82Å |
| 765 | E | 85 | Confident | 90 | Very high | 176 Ų | 176 | 45 Ų | 45 | 82% | 0.822 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -90.4 | -33.4 | -179.4 | -66.6 | -173.3 | 172 | 0 | 0 | 113.1 | T763 | T763-E765 VanDerWaalsContact C-N 3.26Å; T763-E765 PolarHBondContact O-N 3.49Å |
| 766 | L | 91 | Very high | 89.9 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | trans | -137.4 | 126.4 | -172 | -167.1 | 74.3 | 0 | 0 | 0 | 110.5 | L759 T763 E770 T771 L799 | L759-L766 HydrophobicContact CD1-CD2 4.45Å; L759-L766 HydrophobicContact CD1-CG 4.31Å; L759-L766 HydrophobicContact CD2-CD2 3.85Å; T763-L766 WeakPolarHBondContact CA-O 3.4Å; T763-L766 PolarHBondContact N-O 3.07Å; T763-L766 PolarHBondContact OG1-N 2.81Å; T763-L766 PolarHBondContact OG1-O 3.07Å; L766-E770 HydrophobicContact CD1-CG 4.38Å; L766-T771 HydrophobicContact CD1-CG2 3.42Å; L766-T771 VanDerWaalsContact CD1-CG2 3.42Å; L766-T771 HydrophobicContact CD2-CG2 3.79Å; L766-T771 HydrophobicContact CG-CG2 3.53Å; L766-L799 HydrophobicContact CD1-CB 4.46Å; L766-L799 HydrophobicContact CD1-CD2 4.25Å | ||
| 767 | G | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -144.1 | -167.1 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | L759 D762 E770 T771 | L759-G767 VanDerWaalsContact CD1-C 3.49Å; D762-G767 WeakPolarHBondContact OD1-CA 3.07Å; G767-E770 PolarHBondContact N-OE1 2.81Å; G767-T771 WeakPolarHBondContact O-CG2 3.31Å; G767-T771 PolarHBondContact O-N 2.62Å; G767-T771 PolarHBondContact O-OG1 2.83Å | ||
| 768 | W | 95 | Very high | 89.7 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | -159.7 | -168.7 | 76 | 0 | 0 | 0 | 114.3 | Y645 I649 F724 L727 T731 F756 D762 T771 V772 L808 | Y645-W768 VanDerWaalsContact OH-CH2 3.23Å; Y645-W768 WeakPolarHBondContact OH-CH2 3.35Å; Y645-W768 VanDerWaalsContact OH-CZ2 3.27Å; Y645-W768 WeakPolarHBondContact OH-CZ2 3.31Å; I649-W768 HydrophobicContact CB-CZ3 4.44Å; I649-W768 HydrophobicContact CD1-CH2 3.75Å; I649-W768 HydrophobicContact CD1-CZ3 3.8Å; I649-W768 HydrophobicContact CG1-CH2 3.88Å; I649-W768 HydrophobicContact CG1-CZ3 3.67Å; I649-W768 HydrophobicContact CG2-CZ3 4.1Å; F724-W768 HydrophobicContact CD2-CB 4.3Å; F724-W768 HydrophobicContact CE2-CB 3.89Å; F724-W768 AromaticContact CE2-CD1 3.81Å; F724-W768 HydrophobicContact CE2-CG 4.05Å; L727-W768 HydrophobicContact CD1-CH2 4.23Å; L727-W768 HydrophobicContact CD1-CZ3 4.41Å; L727-W768 HydrophobicContact CD2-CD2 3.76Å; L727-W768 HydrophobicContact CD2-CE3 3.56Å; L727-W768 HydrophobicContact CD2-CG 4.39Å; L727-W768 HydrophobicContact CD2-CH2 4.25Å; L727-W768 HydrophobicContact CD2-CZ2 4.43Å; L727-W768 HydrophobicContact CD2-CZ3 3.82Å; L727-W768 HydrophobicContact CG-CH2 4.43Å; L727-W768 HydrophobicContact CG-CZ2 4.43Å; L727-W768 HydrophobicContact CG-CZ3 4.47Å; T731-W768 HydrophobicContact CG2-CZ2 4.28Å; F756-W768 PolarHBondContact O-NE1 2.85Å; D762-W768 PolarHBondContact OD1-N 2.99Å; W768-T771 PolarHBondContact O-N 2.97Å; W768-T771 PolarHBondContact O-OG1 3.02Å; W768-V772 HydrophobicContact CD2-CG2 3.99Å; W768-V772 HydrophobicContact CG-CG2 4.21Å; W768-V772 HydrophobicContact CZ2-CG1 4.39Å; W768-V772 HydrophobicContact CZ2-CG2 3.98Å; W768-V772 WeakPolarHBondContact O-CB 3.28Å; W768-V772 VanDerWaalsContact O-CG2 3.23Å; W768-V772 WeakPolarHBondContact O-CG2 3.49Å; W768-V772 PolarHBondContact O-N 3.22Å; W768-L808 HydrophobicContact CE3-CD2 4.37Å; W768-L808 HydrophobicContact CZ3-CD2 3.79Å |
| 769 | E | 94.5 | Very high | 90 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -50.6 | -171.4 | -67.3 | 85.1 | 166.4 | 0 | 0 | 112.2 | H652 F653 R656 D773 P802 L808 | H652-E769 IonicContact CE1-OE1 3.65Å; H652-E769 IonicContact CE1-OE2 3.21Å; H652-E769 IonicContact CG-OE1 3.47Å; H652-E769 IonicContact ND1-OE1 3.84Å; H652-E769 PolarHBondContact ND1-OE1 2.86Å; H652-E769 IonicContact ND1-OE2 3.84Å; F653-E769 WeakPolarHBondContact CA-OE1 3.37Å; F653-E769 WeakPolarHBondContact CB-OE1 3.49Å; F653-E769 HydrophobicContact CD2-CG 4.22Å; F653-E769 PolarHBondContact N-OE1 2.83Å; R656-E769 WeakPolarHBondContact CD-OE2 3.15Å; R656-E769 IonicContact CZ-OE2 2.87Å; R656-E769 IonicContact NE-OE2 3.36Å; R656-E769 IonicContact NH1-OE2 2.91Å; R656-E769 PolarHBondContact NH1-OE2 3.07Å; E769-D773 WeakPolarHBondContact O-CB 3.37Å; E769-D773 PolarHBondContact O-N 3.12Å; E769-P802 HydrophobicContact CB-CG 4.01Å; E769-L808 HydrophobicContact CB-CD2 3.96Å; E769-L808 HydrophobicContact CG-CD2 3.95Å |
| 770 | E | 92.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | -178.9 | 58.1 | -88.2 | -156.2 | 0 | 0 | 112.8 | R656 L766 G767 A774 N800 | R656-E770 IonicContact CZ-OE1 3.61Å; R656-E770 IonicContact CZ-OE2 3.71Å; R656-E770 IonicContact NH1-OE1 3.52Å; R656-E770 IonicContact NH1-OE2 2.85Å; R656-E770 PolarHBondContact NH1-OE2 2.81Å; R656-E770 IonicContact NH2-OE1 3.61Å; R656-E770 PolarHBondContact NH2-OE1 2.67Å; R656-E770 IonicContact NH2-OE2 3.55Å; R656-E770 PolarHBondContact NH2-OE2 2.87Å; L766-E770 HydrophobicContact CD1-CG 4.38Å; G767-E770 PolarHBondContact N-OE1 2.81Å; E770-A774 WeakPolarHBondContact O-CB 3.12Å; E770-A774 PolarHBondContact O-N 2.98Å; E770-N800 WeakPolarHBondContact CB-O 3.47Å |
| 771 | T | 94 | Very high | 90.4 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 10% | 0.104 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.9 | -45.9 | 178 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | P758 L759 L766 G767 W768 A774 A775 L799 | P758-T771 VanDerWaalsContact CG-OG1 3.23Å; P758-T771 WeakPolarHBondContact CG-OG1 3.13Å; L759-T771 HydrophobicContact CD1-CG2 4Å; L759-T771 HydrophobicContact CG-CG2 4.49Å; L766-T771 HydrophobicContact CD1-CG2 3.42Å; L766-T771 VanDerWaalsContact CD1-CG2 3.42Å; L766-T771 HydrophobicContact CD2-CG2 3.79Å; L766-T771 HydrophobicContact CG-CG2 3.53Å; G767-T771 WeakPolarHBondContact O-CG2 3.31Å; G767-T771 PolarHBondContact O-N 2.62Å; G767-T771 PolarHBondContact O-OG1 2.83Å; W768-T771 PolarHBondContact O-N 2.97Å; W768-T771 PolarHBondContact O-OG1 3.02Å; T771-A774 PolarHBondContact O-N 2.78Å; T771-A775 WeakPolarHBondContact O-CB 3.34Å; T771-A775 PolarHBondContact O-N 2.92Å; T771-L799 HydrophobicContact CG2-CD2 4.33Å |
| 772 | V | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -42.7 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | F756 P758 W768 A774 A775 I776 L808 | F756-V772 HydrophobicContact CD1-CG1 3.96Å; F756-V772 HydrophobicContact CE1-CG1 4.32Å; F756-V772 HydrophobicContact CG-CG1 4.38Å; P758-V772 HydrophobicContact CG-CG2 4.01Å; W768-V772 HydrophobicContact CD2-CG2 3.99Å; W768-V772 HydrophobicContact CG-CG2 4.21Å; W768-V772 HydrophobicContact CZ2-CG1 4.39Å; W768-V772 HydrophobicContact CZ2-CG2 3.98Å; W768-V772 WeakPolarHBondContact O-CB 3.28Å; W768-V772 VanDerWaalsContact O-CG2 3.23Å; W768-V772 WeakPolarHBondContact O-CG2 3.49Å; W768-V772 PolarHBondContact O-N 3.22Å; V772-A774 VanDerWaalsContact C-N 3.34Å; V772-A774 PolarHBondContact O-N 3.31Å; V772-A775 PolarHBondContact O-N 3.16Å; V772-I776 HydrophobicContact CG1-CD1 3.48Å; V772-I776 VanDerWaalsContact CG1-CD1 3.48Å; V772-I776 HydrophobicContact CG1-CG1 4.08Å; V772-I776 WeakPolarHBondContact O-CB 3.45Å; V772-I776 VanDerWaalsContact O-CG1 3.24Å; V772-I776 WeakPolarHBondContact O-CG1 3.39Å; V772-I776 PolarHBondContact O-N 2.85Å; V772-L808 HydrophobicContact CB-CD1 4.34Å; V772-L808 HydrophobicContact CG1-CD1 3.94Å |
| 773 | D | 93.8 | Very high | 90.3 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.8 | -167.1 | 51.1 | 0 | 0 | 0 | 111.4 | E769 S777 L808 H811 | E769-D773 WeakPolarHBondContact O-CB 3.37Å; E769-D773 PolarHBondContact O-N 3.12Å; D773-S777 WeakPolarHBondContact O-CA 3.5Å; D773-S777 WeakPolarHBondContact O-CB 3.49Å; D773-S777 PolarHBondContact O-N 3.37Å; D773-S777 PolarHBondContact O-OG 3.13Å; D773-L808 HydrophobicContact CB-CB 4.43Å; D773-L808 HydrophobicContact CB-CD1 3.97Å; D773-L808 WeakPolarHBondContact OD1-CA 3.29Å; D773-H811 IonicContact OD1-CE1 2.63Å; D773-H811 IonicContact OD1-CG 3.84Å; D773-H811 IonicContact OD1-ND1 2.81Å; D773-H811 PolarHBondContact OD1-ND1 2.82Å |
| 774 | A | 92.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E770 T771 V772 H778 S797 L799 | E770-A774 WeakPolarHBondContact O-CB 3.12Å; E770-A774 PolarHBondContact O-N 2.98Å; T771-A774 PolarHBondContact O-N 2.78Å; V772-A774 VanDerWaalsContact C-N 3.34Å; V772-A774 PolarHBondContact O-N 3.31Å; A774-H778 WeakPolarHBondContact O-CB 3.43Å; A774-H778 PolarHBondContact O-N 2.64Å; A774-S797 PolarHBondContact O-OG 2.99Å; A774-S797 VanDerWaalsContact O-OG 3.05Å; A774-L799 HydrophobicContact CB-CD2 3.81Å |
| 775 | A | 92.7 | Very high | 89.6 | Confident | 30 Ų | 30 | 30.7 Ų | 30.7 | 25% | 0.248 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68 | -46.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | A755 T771 V772 H778 L779 | A755-A775 HydrophobicContact CB-CB 3.96Å; T771-A775 WeakPolarHBondContact O-CB 3.34Å; T771-A775 PolarHBondContact O-N 2.92Å; V772-A775 PolarHBondContact O-N 3.16Å; A775-H778 PolarHBondContact O-N 3.05Å; A775-L779 WeakPolarHBondContact O-CG 3.4Å; A775-L779 PolarHBondContact O-N 2.95Å |
| 776 | I | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 176.5 | -65.3 | 174.3 | 0 | 0 | 0 | 110.3 | F756 V772 H778 L779 L780 L808 H811 I812 L815 | F756-I776 HydrophobicContact CD1-CD1 4.36Å; F756-I776 HydrophobicContact CE1-CD1 3.68Å; F756-I776 HydrophobicContact CE2-CD1 3.88Å; F756-I776 HydrophobicContact CE2-CG1 4.12Å; F756-I776 HydrophobicContact CZ-CD1 3.4Å; F756-I776 VanDerWaalsContact CZ-CD1 3.4Å; F756-I776 HydrophobicContact CZ-CG1 4.14Å; V772-I776 HydrophobicContact CG1-CD1 3.48Å; V772-I776 VanDerWaalsContact CG1-CD1 3.48Å; V772-I776 HydrophobicContact CG1-CG1 4.08Å; V772-I776 WeakPolarHBondContact O-CB 3.45Å; V772-I776 VanDerWaalsContact O-CG1 3.24Å; V772-I776 WeakPolarHBondContact O-CG1 3.39Å; V772-I776 PolarHBondContact O-N 2.85Å; I776-H778 VanDerWaalsContact C-N 3.28Å; I776-H778 PolarHBondContact O-N 3Å; I776-L779 PolarHBondContact O-N 2.9Å; I776-L780 HydrophobicContact CG2-CD1 3.67Å; I776-L780 HydrophobicContact CG2-CG 4.06Å; I776-L780 VanDerWaalsContact O-CB 3.29Å; I776-L780 WeakPolarHBondContact O-CB 3.49Å; I776-L780 VanDerWaalsContact O-CG 3.29Å; I776-L780 WeakPolarHBondContact O-CG 3.5Å; I776-L780 PolarHBondContact O-N 3.2Å; I776-L808 HydrophobicContact CD1-CD1 4.37Å; I776-H811 HydrophobicContact CG2-CB 3.9Å; I776-I812 HydrophobicContact CD1-CG1 3.61Å; I776-L815 HydrophobicContact CG1-CD2 4.46Å; I776-L815 HydrophobicContact CG2-CB 4.3Å; I776-L815 HydrophobicContact CG2-CD2 4.31Å |
| 777 | S | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.2 | -46.4 | 173.1 | -79.7 | 0 | 0 | 0 | 0 | 111.2 | D773 L780 K781 H811 | D773-S777 WeakPolarHBondContact O-CA 3.5Å; D773-S777 WeakPolarHBondContact O-CB 3.49Å; D773-S777 PolarHBondContact O-N 3.37Å; D773-S777 PolarHBondContact O-OG 3.13Å; S777-L780 PolarHBondContact O-N 3.04Å; S777-K781 WeakPolarHBondContact O-CB 3.23Å; S777-K781 PolarHBondContact O-N 2.92Å; S777-H811 PolarHBondContact OG-CE1 3.15Å; S777-H811 PolarHBondContact OG-ND1 3.12Å |
| 778 | H | 89.7 | Confident | 87.4 | Confident | 98 Ų | 98 | 36.9 Ų | 36.9 | 45% | 0.454 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.5 | -49.7 | 178.2 | -177.9 | -90 | 0 | 0 | 0 | 111.6 | A774 A775 I776 L780 K781 T782 | A774-H778 WeakPolarHBondContact O-CB 3.43Å; A774-H778 PolarHBondContact O-N 2.64Å; A775-H778 PolarHBondContact O-N 3.05Å; I776-H778 VanDerWaalsContact C-N 3.28Å; I776-H778 PolarHBondContact O-N 3Å; H778-L780 PolarHBondContact O-N 3.14Å; H778-K781 WeakPolarHBondContact O-CB 3.13Å; H778-K781 PolarHBondContact O-N 2.95Å; H778-K781 VanDerWaalsContact O-N 3.1Å; H778-T782 PolarHBondContact O-N 2.93Å; H778-T782 PolarHBondContact O-OG1 3.05Å |
| 779 | L | 89.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.5 | -70.7 | 174.3 | 0 | 0 | 0 | 112.3 | I751 A755 A775 I776 K781 C783 | I751-L779 HydrophobicContact CG2-CD1 4.06Å; I751-L779 HydrophobicContact CG2-CD2 3.83Å; A755-L779 HydrophobicContact CB-CD1 3.73Å; A775-L779 WeakPolarHBondContact O-CG 3.4Å; A775-L779 PolarHBondContact O-N 2.95Å; I776-L779 PolarHBondContact O-N 2.9Å; L779-K781 VanDerWaalsContact C-N 3.3Å; L779-K781 PolarHBondContact O-N 2.76Å; L779-C783 WeakPolarHBondContact O-CA 3.33Å; L779-C783 WeakPolarHBondContact O-CB 3.45Å; L779-C783 PolarHBondContact O-N 3.47Å |
| 780 | L | 88.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -63.8 | -39 | 174.8 | -75.6 | 172.2 | 0 | 0 | 0 | 111.2 | I776 S777 H778 L784 S785 L795 H811 L814 L815 R818 | I776-L780 HydrophobicContact CG2-CD1 3.67Å; I776-L780 HydrophobicContact CG2-CG 4.06Å; I776-L780 VanDerWaalsContact O-CB 3.29Å; I776-L780 WeakPolarHBondContact O-CB 3.49Å; I776-L780 VanDerWaalsContact O-CG 3.29Å; I776-L780 WeakPolarHBondContact O-CG 3.5Å; I776-L780 PolarHBondContact O-N 3.2Å; S777-L780 PolarHBondContact O-N 3.04Å; H778-L780 PolarHBondContact O-N 3.14Å; L780-L784 HydrophobicContact CD2-CB 4.36Å; L780-L784 HydrophobicContact CD2-CD1 4.01Å; L780-L784 CarbonylContact O-C 3.6Å; L780-L784 PolarHBondContact O-N 3.05Å; L780-S785 WeakPolarHBondContact O-CA 3.32Å; L780-S785 WeakPolarHBondContact O-CB 3.43Å; L780-S785 PolarHBondContact O-N 3.37Å; L780-L795 HydrophobicContact CB-CD1 3.97Å; L780-L795 HydrophobicContact CB-CD2 3.69Å; L780-L795 HydrophobicContact CB-CG 4.5Å; L780-L795 HydrophobicContact CD1-CD2 3.75Å; L780-L795 HydrophobicContact CG-CD2 4.4Å; L780-H811 HydrophobicContact CD1-CB 4.07Å; L780-L814 HydrophobicContact CD1-CD2 4.18Å; L780-L814 HydrophobicContact CD1-CG 4.48Å; L780-L814 HydrophobicContact CD2-CD2 4.47Å; L780-L814 HydrophobicContact CD2-CG 4.23Å; L780-L815 HydrophobicContact CD2-CB 4.27Å; L780-L815 HydrophobicContact CD2-CD1 4.17Å; L780-R818 PolarHBondContact O-NH1 3.44Å |
| 781 | K | 86.6 | Confident | 84.5 | Confident | 83 Ų | 83 | 48.5 Ų | 48.5 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -69.8 | -47.6 | -178.5 | -176.9 | 176.3 | -176.8 | 173.7 | 0 | 111.9 | S777 H778 L779 Q791 L795 | S777-K781 WeakPolarHBondContact O-CB 3.23Å; S777-K781 PolarHBondContact O-N 2.92Å; H778-K781 WeakPolarHBondContact O-CB 3.13Å; H778-K781 PolarHBondContact O-N 2.95Å; H778-K781 VanDerWaalsContact O-N 3.1Å; L779-K781 VanDerWaalsContact C-N 3.3Å; L779-K781 PolarHBondContact O-N 2.76Å; K781-Q791 HydrophobicContact CG-CB 4.03Å; K781-Q791 HydrophobicContact CG-CG 3.89Å; K781-Q791 PolarHBondContact O-NE2 3.07Å; K781-L795 HydrophobicContact CB-CB 4.31Å; K781-L795 HydrophobicContact CB-CD1 4.17Å |
| 782 | T | 84.3 | Confident | 83.4 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -90.4 | -33.5 | -173.3 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | H778 | H778-T782 PolarHBondContact O-N 2.93Å; H778-T782 PolarHBondContact O-OG1 3.05Å |
| 783 | C | 84.2 | Confident | 82.3 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 25% | 0.25 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -100.9 | -35.9 | -173.3 | -48.9 | 0 | 0 | 0 | 0 | 113.7 | L779 C826 | L779-C783 WeakPolarHBondContact O-CA 3.33Å; L779-C783 WeakPolarHBondContact O-CB 3.45Å; L779-C783 PolarHBondContact O-N 3.47Å; C783-C826 PolarHBondContact SG-O 2.79Å |
| 784 | L | 79.5 | Confident | 81.3 | Confident | 25 Ų | 25 | 59.3 Ų | 59.3 | 13% | 0.131 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -119.4 | -19.3 | -162.7 | -59.5 | 175.4 | 0 | 0 | 0 | 114.5 | L780 L815 R818 L825 | L780-L784 HydrophobicContact CD2-CB 4.36Å; L780-L784 HydrophobicContact CD2-CD1 4.01Å; L780-L784 CarbonylContact O-C 3.6Å; L780-L784 PolarHBondContact O-N 3.05Å; L784-L815 HydrophobicContact CD1-CD1 3.57Å; L784-R818 HydrophobicContact CB-CB 4.37Å; L784-R818 HydrophobicContact CD1-CB 4.12Å; L784-R818 PolarHBondContact O-NH1 2.95Å; L784-L825 HydrophobicContact CD1-CD2 4.27Å |
| 785 | S | 77.5 | Confident | 80.5 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | trans | -91.7 | 130.6 | -178.5 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | L780 S787 E790 Q791 R818 | L780-S785 WeakPolarHBondContact O-CA 3.32Å; L780-S785 WeakPolarHBondContact O-CB 3.43Å; L780-S785 PolarHBondContact O-N 3.37Å; S785-S787 PolarHBondContact OG-N 2.87Å; S785-E790 PolarHBondContact OG-OE2 3.39Å; S785-Q791 PolarHBondContact O-NE2 2.89Å; S785-R818 VanDerWaalsContact CB-NH1 3.29Å; S785-R818 VanDerWaalsContact N-NH1 3.11Å | ||
| 786 | K | 69.7 | Low | 79.8 | Confident | 214 Ų | 214 | 61.4 Ų | 61.4 | 93% | 0.93 | 33% | 0.326 | S | S | * | . | trans | -99.1 | -14.2 | 172 | -64.4 | -176.4 | -179.8 | 179.3 | 0 | 113 | ||||
| 787 | S | 79 | Confident | 79.1 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | trans | -100.8 | 114 | -173.6 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | S785 K789 E790 Q791 | S785-S787 PolarHBondContact OG-N 2.87Å; S787-K789 PolarHBondContact O-N 3Å; S787-E790 PolarHBondContact O-N 3.01Å; S787-E790 VanDerWaalsContact O-N 3.14Å; S787-E790 PolarHBondContact OG-N 2.95Å; S787-Q791 WeakPolarHBondContact O-CG 3.35Å; S787-Q791 PolarHBondContact O-N 2.77Å | ||
| 788 | S | 73.5 | Confident | 78.9 | Confident | 92 Ų | 92 | 70.5 Ų | 70.5 | 64% | 0.643 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.6 | -33.1 | 174.5 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | Q791 A792 | S788-Q791 PolarHBondContact O-N 3.35Å; S788-A792 PolarHBondContact O-N 2.83Å; S788-A792 VanDerWaalsContact O-N 3.13Å |
| 789 | K | 72.4 | Confident | 78.9 | Confident | 150 Ų | 150 | 70.5 Ų | 70.5 | 65% | 0.652 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.8 | -38.7 | 176.9 | -174.1 | 175.9 | -180 | -178.7 | 0 | 112.2 | S787 L793 | S787-K789 PolarHBondContact O-N 3Å; K789-L793 HydrophobicContact CG-CD1 3.8Å; K789-L793 WeakPolarHBondContact O-CB 3.38Å; K789-L793 WeakPolarHBondContact O-CG 3.43Å; K789-L793 PolarHBondContact O-N 2.88Å |
| 790 | E | 74.9 | Confident | 78.8 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 23% | 0.229 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -72.8 | -39.7 | 176.8 | -171.4 | -178.6 | -166.1 | 0 | 0 | 111.2 | S785 S787 A792 L793 N794 R818 | S785-E790 PolarHBondContact OG-OE2 3.39Å; S787-E790 PolarHBondContact O-N 3.01Å; S787-E790 VanDerWaalsContact O-N 3.14Å; S787-E790 PolarHBondContact OG-N 2.95Å; E790-A792 PolarHBondContact O-N 2.7Å; E790-L793 PolarHBondContact O-N 2.78Å; E790-N794 HydrophobicContact CG-CB 4.45Å; E790-N794 PolarHBondContact O-N 2.75Å; E790-N794 VanDerWaalsContact O-N 3.08Å; E790-R818 IonicContact OE1-CZ 3.32Å; E790-R818 IonicContact OE1-NH2 2.76Å; E790-R818 PolarHBondContact OE1-NH2 3.17Å; E790-R818 IonicContact OE2-CZ 2.71Å; E790-R818 IonicContact OE2-NH2 2.74Å; E790-R818 PolarHBondContact OE2-NH2 2.85Å |
| 791 | Q | 74.4 | Confident | 78.8 | Confident | 55 Ų | 55 | 78.5 Ų | 78.5 | 26% | 0.257 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.7 | -31.6 | 175.2 | -71.6 | 177.3 | -12.6 | 0 | 0 | 113.5 | K781 S785 S787 S788 | K781-Q791 HydrophobicContact CG-CB 4.03Å; K781-Q791 HydrophobicContact CG-CG 3.89Å; K781-Q791 PolarHBondContact O-NE2 3.07Å; S785-Q791 PolarHBondContact O-NE2 2.89Å; S787-Q791 WeakPolarHBondContact O-CG 3.35Å; S787-Q791 PolarHBondContact O-N 2.77Å; S788-Q791 PolarHBondContact O-N 3.35Å |
| 792 | A | 70 | Confident | 79 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -91.2 | -30.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | S788 E790 N796 | S788-A792 PolarHBondContact O-N 2.83Å; S788-A792 VanDerWaalsContact O-N 3.13Å; E790-A792 PolarHBondContact O-N 2.7Å; A792-N796 PolarHBondContact O-OD1 2.76Å |
| 793 | L | 71.5 | Confident | 79.3 | Confident | 114 Ų | 114 | 83.5 Ų | 83.5 | 60% | 0.597 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -97.3 | -37.1 | -172.4 | -71.1 | 170.9 | 0 | 0 | 0 | 113.7 | K789 E790 | K789-L793 HydrophobicContact CG-CD1 3.8Å; K789-L793 WeakPolarHBondContact O-CB 3.38Å; K789-L793 WeakPolarHBondContact O-CG 3.43Å; K789-L793 PolarHBondContact O-N 2.88Å; E790-L793 PolarHBondContact O-N 2.78Å |
| 794 | N | 73.4 | Confident | 79.7 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -20.9 | -169.2 | -64.1 | -20.2 | 0 | 0 | 0 | 113.2 | E790 H811 | E790-N794 HydrophobicContact CG-CB 4.45Å; E790-N794 PolarHBondContact O-N 2.75Å; E790-N794 VanDerWaalsContact O-N 3.08Å; N794-H811 PolarHBondContact O-CE1 2.79Å; N794-H811 PolarHBondContact O-NE2 2.84Å |
| 795 | L | 75.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 84.7 Ų | 84.7 | 1% | 0.01 | 45% | 0.445 | C | S | . | . | trans | -111 | 63.7 | -173.1 | -60.5 | 173.3 | 0 | 0 | 0 | 110.3 | L780 K781 | L780-L795 HydrophobicContact CB-CD1 3.97Å; L780-L795 HydrophobicContact CB-CD2 3.69Å; L780-L795 HydrophobicContact CB-CG 4.5Å; L780-L795 HydrophobicContact CD1-CD2 3.75Å; L780-L795 HydrophobicContact CG-CD2 4.4Å; K781-L795 HydrophobicContact CB-CB 4.31Å; K781-L795 HydrophobicContact CB-CD1 4.17Å | ||
| 796 | N | 78.2 | Confident | 81.2 | Confident | 84 Ų | 84 | 86.5 Ų | 86.5 | 45% | 0.449 | 46% | 0.458 | S | S | . | . | trans | -98.1 | 115.7 | 177.8 | -78.2 | -23.4 | 0 | 0 | 0 | 110.2 | A792 Q798 | A792-N796 PolarHBondContact O-OD1 2.76Å; N796-Q798 PolarHBondContact O-N 3.07Å | ||
| 797 | S | 79.1 | Confident | 82.2 | Confident | 63 Ų | 63 | 80.5 Ų | 80.5 | 44% | 0.441 | 43% | 0.433 | S | S | . | . | trans | -82.4 | 102 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | A774 | A774-S797 PolarHBondContact O-OG 2.99Å; A774-S797 VanDerWaalsContact O-OG 3.05Å | ||
| 798 | Q | 85.3 | Confident | 83 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 60% | 0.598 | 42% | 0.417 | S | S | * | . | trans | -117.1 | 145.6 | 171.2 | -65.5 | -171.2 | -11 | 0 | 0 | 109.7 | N796 | N796-Q798 PolarHBondContact O-N 3.07Š| ||
| 799 | L | 89.8 | Confident | 84 | Confident | 98 Ų | 98 | 75.9 Ų | 75.9 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -113.2 | 44.5 | -178.8 | -65.7 | 174.6 | 0 | 0 | 0 | 111.2 | L766 T771 A774 | L766-L799 HydrophobicContact CD1-CB 4.46Å; L766-L799 HydrophobicContact CD1-CD2 4.25Å; T771-L799 HydrophobicContact CG2-CD2 4.33Å; A774-L799 HydrophobicContact CB-CD2 3.81Å | ||
| 800 | N | 87.9 | Confident | 85 | Confident | 115 Ų | 115 | 74.8 Ų | 74.8 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -119 | 154 | 173.7 | -61.3 | -44.7 | 0 | 0 | 0 | 108.3 | E770 P802 | E770-N800 WeakPolarHBondContact CB-O 3.47Å; N800-P802 VanDerWaalsContact O-N 3.15Å |
| 801 | I | 89.2 | Confident | 85.9 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | trans | -51.7 | 122.9 | 175.4 | -167 | 169 | 0 | 0 | 0 | 110.2 | F653 I657 | F653-I801 HydrophobicContact CE2-CG1 4.2Å; I657-I801 HydrophobicContact CD1-CD1 3.95Å | ||
| 802 | P | 90.3 | Very high | 86.8 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 25% | 0.247 | 37% | 0.369 | C | S | . | . | trans | -70.4 | 161.9 | -178.8 | 26.6 | -31.3 | 0 | 0 | 0 | 110.3 | F653 E769 N800 | F653-P802 HydrophobicContact CD2-CG 4.36Å; F653-P802 HydrophobicContact CE2-CG 3.72Å; F653-P802 WeakPolarHBondContact CE2-O 3.25Å; F653-P802 HydrophobicContact CZ-CG 4.41Å; F653-P802 WeakPolarHBondContact CZ-O 3.33Å; E769-P802 HydrophobicContact CB-CG 4.01Å; N800-P802 VanDerWaalsContact O-N 3.15Å | ||
| 803 | K | 90.6 | Very high | 88 | Confident | 205 Ų | 205 | 70 Ų | 70 | 89% | 0.891 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -77.2 | -30.4 | 174.6 | -66 | -176.9 | 179.4 | -178.6 | 0 | 112.7 | ||
| 804 | D | 92.3 | Very high | 88.9 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | trans | -156.5 | 164 | 178.6 | 65.1 | 58.7 | 0 | 0 | 0 | 109.7 | S806 | D804-S806 VanDerWaalsContact C-N 3.26Å; D804-S806 PolarHBondContact O-N 3.47Å; D804-S806 WeakPolarHBondContact OD1-CA 3.38Å; D804-S806 WeakPolarHBondContact OD1-CB 3.49Å; D804-S806 PolarHBondContact OD1-N 2.78Å; D804-S806 PolarHBondContact OD1-OG 2.85Å | ||
| 805 | T | 94.6 | Very high | 89.8 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 5.1 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | I649 D650 F653 Q807 L808 K809 | I649-T805 HydrophobicContact CG2-CG2 3.92Å; D650-T805 PolarHBondContact OD1-OG1 2.82Å; F653-T805 HydrophobicContact CB-CG2 3.44Å; F653-T805 VanDerWaalsContact CB-CG2 3.44Å; F653-T805 HydrophobicContact CD1-CG2 3.72Å; F653-T805 HydrophobicContact CD2-CG2 4.12Å; F653-T805 HydrophobicContact CG-CG2 3.48Å; F653-T805 VanDerWaalsContact CG-CG2 3.48Å; T805-Q807 PolarHBondContact O-N 3.29Å; T805-L808 PolarHBondContact O-N 3.4Å; T805-K809 VanDerWaalsContact CB-CE 3.49Å; T805-K809 WeakPolarHBondContact O-CG 3.26Å; T805-K809 PolarHBondContact O-N 3.48Å; T805-K809 VanDerWaalsContact O-N 3.08Å; T805-K809 WeakPolarHBondContact OG1-CE 3.36Å; T805-K809 PolarHBondContact OG1-NZ 3.48Å; T805-K809 VanDerWaalsContact OG1-NZ 3.12Å |
| 806 | S | 93.7 | Very high | 90.6 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68 | -35.3 | -170.3 | -47.9 | 0 | 0 | 0 | 0 | 112.9 | D804 K810 | D804-S806 VanDerWaalsContact C-N 3.26Å; D804-S806 PolarHBondContact O-N 3.47Å; D804-S806 WeakPolarHBondContact OD1-CA 3.38Å; D804-S806 WeakPolarHBondContact OD1-CB 3.49Å; D804-S806 PolarHBondContact OD1-N 2.78Å; D804-S806 PolarHBondContact OD1-OG 2.85Å; S806-K810 WeakPolarHBondContact O-CB 3.4Å; S806-K810 WeakPolarHBondContact O-CD 3.41Å; S806-K810 WeakPolarHBondContact O-CG 3.39Å; S806-K810 PolarHBondContact O-N 3.47Å; S806-K810 VanDerWaalsContact O-N 3.16Å |
| 807 | Q | 91.8 | Very high | 91.2 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68 | -51.2 | 177.7 | -72.7 | -64.8 | -14.9 | 0 | 0 | 110.8 | T805 K809 K810 H811 | T805-Q807 PolarHBondContact O-N 3.29Å; Q807-K809 PolarHBondContact O-N 3.32Å; Q807-K810 WeakPolarHBondContact O-CA 3.49Å; Q807-K810 WeakPolarHBondContact O-CB 3.25Å; Q807-K810 PolarHBondContact O-N 3.17Å; Q807-H811 PolarHBondContact O-CD2 2.88Å; Q807-H811 PolarHBondContact O-N 3.22Å; Q807-H811 PolarHBondContact OE1-NE2 3.32Å |
| 808 | L | 94.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.5 | -49.8 | 177 | 177.6 | 59.5 | 0 | 0 | 0 | 112 | I649 W768 E769 V772 D773 I776 T805 K810 H811 I812 | I649-L808 HydrophobicContact CG2-CD2 4.05Å; W768-L808 HydrophobicContact CE3-CD2 4.37Å; W768-L808 HydrophobicContact CZ3-CD2 3.79Å; E769-L808 HydrophobicContact CB-CD2 3.96Å; E769-L808 HydrophobicContact CG-CD2 3.95Å; V772-L808 HydrophobicContact CB-CD1 4.34Å; V772-L808 HydrophobicContact CG1-CD1 3.94Å; D773-L808 HydrophobicContact CB-CB 4.43Å; D773-L808 HydrophobicContact CB-CD1 3.97Å; D773-L808 WeakPolarHBondContact OD1-CA 3.29Å; I776-L808 HydrophobicContact CD1-CD1 4.37Å; T805-L808 PolarHBondContact O-N 3.4Å; L808-K810 VanDerWaalsContact C-N 3.33Å; L808-K810 PolarHBondContact O-N 3.19Å; L808-H811 PolarHBondContact O-N 3.04Å; L808-H811 VanDerWaalsContact O-N 3.14Å; L808-I812 HydrophobicContact CD1-CD1 3.78Å; L808-I812 HydrophobicContact CD1-CG1 4.08Å; L808-I812 HydrophobicContact CG-CD1 3.84Å; L808-I812 VanDerWaalsContact O-CG1 3.32Å; L808-I812 WeakPolarHBondContact O-CG1 2.94Å; L808-I812 PolarHBondContact O-N 2.92Å |
| 809 | K | 95.4 | Very high | 92 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 176.8 | -68.1 | 179.3 | -138.8 | 178.6 | 0 | 112.9 | F646 D650 T805 Q807 T813 | F646-K809 HydrophobicContact CB-CD 4.01Å; F646-K809 HydrophobicContact CB-CG 4.32Å; F646-K809 HydrophobicContact CD1-CB 4.44Å; F646-K809 HydrophobicContact CD1-CD 4.42Å; F646-K809 HydrophobicContact CD1-CG 3.81Å; F646-K809 HydrophobicContact CD2-CB 4.13Å; F646-K809 HydrophobicContact CD2-CD 3.84Å; F646-K809 HydrophobicContact CD2-CG 3.88Å; F646-K809 HydrophobicContact CE1-CB 4.17Å; F646-K809 HydrophobicContact CE1-CG 4.01Å; F646-K809 HydrophobicContact CE2-CB 3.85Å; F646-K809 HydrophobicContact CE2-CD 4.41Å; F646-K809 HydrophobicContact CE2-CG 4.09Å; F646-K809 HydrophobicContact CG-CB 4.41Å; F646-K809 HydrophobicContact CG-CD 3.84Å; F646-K809 HydrophobicContact CG-CG 3.73Å; F646-K809 HydrophobicContact CZ-CB 3.86Å; F646-K809 HydrophobicContact CZ-CG 4.14Å; F646-K809 WeakPolarHBondContact CZ-O 3.4Å; D650-K809 WeakPolarHBondContact OD1-CE 3.43Å; D650-K809 IonicContact OD1-NZ 2.62Å; D650-K809 PolarHBondContact OD1-NZ 3.25Å; D650-K809 IonicContact OD2-NZ 2.63Å; D650-K809 PolarHBondContact OD2-NZ 3.42Å; T805-K809 VanDerWaalsContact CB-CE 3.49Å; T805-K809 WeakPolarHBondContact O-CG 3.26Å; T805-K809 PolarHBondContact O-N 3.48Å; T805-K809 VanDerWaalsContact O-N 3.08Å; T805-K809 WeakPolarHBondContact OG1-CE 3.36Å; T805-K809 PolarHBondContact OG1-NZ 3.48Å; T805-K809 VanDerWaalsContact OG1-NZ 3.12Å; Q807-K809 PolarHBondContact O-N 3.32Å; K809-T813 WeakPolarHBondContact O-CB 3.47Å; K809-T813 PolarHBondContact O-N 3.26Å; K809-T813 PolarHBondContact O-OG1 2.88Å |
| 810 | K | 93.3 | Very high | 91.9 | Very high | 128 Ų | 128 | 51.6 Ų | 51.6 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 175.8 | -77 | 170.8 | -174.6 | 173.4 | 0 | 111 | S806 Q807 L808 T813 L814 | S806-K810 WeakPolarHBondContact O-CB 3.4Å; S806-K810 WeakPolarHBondContact O-CD 3.41Å; S806-K810 WeakPolarHBondContact O-CG 3.39Å; S806-K810 PolarHBondContact O-N 3.47Å; S806-K810 VanDerWaalsContact O-N 3.16Å; Q807-K810 WeakPolarHBondContact O-CA 3.49Å; Q807-K810 WeakPolarHBondContact O-CB 3.25Å; Q807-K810 PolarHBondContact O-N 3.17Å; L808-K810 VanDerWaalsContact C-N 3.33Å; L808-K810 PolarHBondContact O-N 3.19Å; K810-T813 PolarHBondContact O-N 2.62Å; K810-L814 WeakPolarHBondContact O-CB 3.42Å; K810-L814 PolarHBondContact O-N 3Å |
| 811 | H | 93.3 | Very high | 92 | Very high | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.3 | -41.8 | -178.6 | -74.4 | -152.6 | 0 | 0 | 0 | 111.6 | D773 I776 S777 L780 N794 Q807 L808 L814 L815 | D773-H811 IonicContact OD1-CE1 2.63Å; D773-H811 IonicContact OD1-CG 3.84Å; D773-H811 IonicContact OD1-ND1 2.81Å; D773-H811 PolarHBondContact OD1-ND1 2.82Å; I776-H811 HydrophobicContact CG2-CB 3.9Å; S777-H811 PolarHBondContact OG-CE1 3.15Å; S777-H811 PolarHBondContact OG-ND1 3.12Å; L780-H811 HydrophobicContact CD1-CB 4.07Å; N794-H811 PolarHBondContact O-CE1 2.79Å; N794-H811 PolarHBondContact O-NE2 2.84Å; Q807-H811 PolarHBondContact O-CD2 2.88Å; Q807-H811 PolarHBondContact O-N 3.22Å; Q807-H811 PolarHBondContact OE1-NE2 3.32Å; L808-H811 PolarHBondContact O-N 3.04Å; L808-H811 VanDerWaalsContact O-N 3.14Å; H811-L814 PolarHBondContact O-N 3.14Å; H811-L815 WeakPolarHBondContact O-CB 3.24Å; H811-L815 PolarHBondContact O-N 2.79Å |
| 812 | I | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.3 | -48.2 | 172.8 | -66.6 | 167 | 0 | 0 | 0 | 110.5 | L642 Y645 F646 I649 F756 I776 L808 L814 L815 C816 | L642-I812 HydrophobicContact CD2-CG2 3.95Å; Y645-I812 HydrophobicContact CE1-CD1 4.16Å; F646-I812 HydrophobicContact CE1-CB 4.16Å; F646-I812 HydrophobicContact CE1-CD1 4.14Å; F646-I812 HydrophobicContact CE1-CG2 3.98Å; F646-I812 HydrophobicContact CZ-CB 4.34Å; F646-I812 HydrophobicContact CZ-CG2 4.26Å; I649-I812 HydrophobicContact CD1-CD1 3.87Å; F756-I812 HydrophobicContact CE1-CD1 4.23Å; F756-I812 HydrophobicContact CE1-CG1 3.98Å; F756-I812 HydrophobicContact CE1-CG2 4.49Å; F756-I812 HydrophobicContact CZ-CG1 4.26Å; I776-I812 HydrophobicContact CD1-CG1 3.61Å; L808-I812 HydrophobicContact CD1-CD1 3.78Å; L808-I812 HydrophobicContact CD1-CG1 4.08Å; L808-I812 HydrophobicContact CG-CD1 3.84Å; L808-I812 VanDerWaalsContact O-CG1 3.32Å; L808-I812 WeakPolarHBondContact O-CG1 2.94Å; L808-I812 PolarHBondContact O-N 2.92Å; I812-L814 VanDerWaalsContact C-N 3.32Å; I812-L814 PolarHBondContact O-N 2.69Å; I812-L815 WeakPolarHBondContact O-CB 3.42Å; I812-L815 PolarHBondContact O-N 3.41Å; I812-C816 PolarHBondContact O-N 3.46Å; I812-C816 PolarHBondContact O-SG 2.9Å; I812-C816 VanDerWaalsContact O-SG 3.41Å |
| 813 | T | 94.1 | Very high | 91.6 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 178 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | L642 K809 K810 C816 D817 | L642-T813 HydrophobicContact CD1-CG2 4.45Å; K809-T813 WeakPolarHBondContact O-CB 3.47Å; K809-T813 PolarHBondContact O-N 3.26Å; K809-T813 PolarHBondContact O-OG1 2.88Å; K810-T813 PolarHBondContact O-N 2.62Å; T813-C816 PolarHBondContact O-N 2.63Å; T813-D817 WeakPolarHBondContact O-CB 3.39Å; T813-D817 PolarHBondContact O-N 3.07Å |
| 814 | L | 91.8 | Very high | 91.5 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.8 | -176 | 62.2 | 0 | 0 | 0 | 112 | L780 K810 H811 I812 D817 R818 | L780-L814 HydrophobicContact CD1-CD2 4.18Å; L780-L814 HydrophobicContact CD1-CG 4.48Å; L780-L814 HydrophobicContact CD2-CD2 4.47Å; L780-L814 HydrophobicContact CD2-CG 4.23Å; K810-L814 WeakPolarHBondContact O-CB 3.42Å; K810-L814 PolarHBondContact O-N 3Å; H811-L814 PolarHBondContact O-N 3.14Å; I812-L814 VanDerWaalsContact C-N 3.32Å; I812-L814 PolarHBondContact O-N 2.69Å; L814-D817 PolarHBondContact O-N 2.8Å; L814-R818 HydrophobicContact CD1-CG 4.26Å; L814-R818 WeakPolarHBondContact O-CB 3.46Å; L814-R818 VanDerWaalsContact O-CG 3.29Å; L814-R818 WeakPolarHBondContact O-CG 3.42Å; L814-R818 PolarHBondContact O-N 3.34Å |
| 815 | L | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 174.1 | -179 | 69.5 | 0 | 0 | 0 | 110.6 | L752 F756 I776 L780 L784 H811 I812 D817 R818 L819 L825 | L752-L815 HydrophobicContact CD2-CD2 4.22Å; F756-L815 HydrophobicContact CE2-CD2 3.59Å; F756-L815 HydrophobicContact CZ-CD2 3.79Å; I776-L815 HydrophobicContact CG1-CD2 4.46Å; I776-L815 HydrophobicContact CG2-CB 4.3Å; I776-L815 HydrophobicContact CG2-CD2 4.31Å; L780-L815 HydrophobicContact CD2-CB 4.27Å; L780-L815 HydrophobicContact CD2-CD1 4.17Å; L784-L815 HydrophobicContact CD1-CD1 3.57Å; H811-L815 WeakPolarHBondContact O-CB 3.24Å; H811-L815 PolarHBondContact O-N 2.79Å; I812-L815 WeakPolarHBondContact O-CB 3.42Å; I812-L815 PolarHBondContact O-N 3.41Å; L815-D817 PolarHBondContact O-N 3.18Å; L815-R818 PolarHBondContact O-N 2.8Å; L815-L819 HydrophobicContact CD1-CD1 4.43Å; L815-L819 HydrophobicContact CG-CD1 4.17Å; L815-L819 WeakPolarHBondContact O-CB 3.38Å; L815-L819 VanDerWaalsContact O-CG 3.32Å; L815-L819 WeakPolarHBondContact O-CG 3.44Å; L815-L819 PolarHBondContact O-N 3.34Å; L815-L825 HydrophobicContact CD1-CD2 4.36Å |
| 816 | C | 92 | Very high | 90.8 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 177.4 | -66.7 | 0 | 0 | 0 | 0 | 112 | I640 I812 T813 L819 S820 | I640-C816 HydrophobicContact CD1-CB 4.14Å; I812-C816 PolarHBondContact O-N 3.46Å; I812-C816 PolarHBondContact O-SG 2.9Å; I812-C816 VanDerWaalsContact O-SG 3.41Å; T813-C816 PolarHBondContact O-N 2.63Å; C816-L819 PolarHBondContact O-N 2.89Å; C816-S820 WeakPolarHBondContact O-CB 3.41Å; C816-S820 PolarHBondContact O-N 3.08Å |
| 817 | D | 90.8 | Very high | 90.1 | Very high | 61 Ų | 61 | 50 Ų | 50 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 177.3 | 175.5 | 54.7 | 0 | 0 | 0 | 112 | T813 L814 L815 S820 K821 | T813-D817 WeakPolarHBondContact O-CB 3.39Å; T813-D817 PolarHBondContact O-N 3.07Å; L814-D817 PolarHBondContact O-N 2.8Å; L815-D817 PolarHBondContact O-N 3.18Å; D817-S820 WeakPolarHBondContact O-CB 3.48Å; D817-S820 PolarHBondContact O-N 2.8Å; D817-S820 PolarHBondContact O-OG 2.99Å; D817-K821 VanDerWaalsContact CG-NZ 3.27Å; D817-K821 WeakPolarHBondContact O-CG 3.42Å; D817-K821 PolarHBondContact O-N 3.14Å; D817-K821 VanDerWaalsContact O-N 3.09Å; D817-K821 WeakPolarHBondContact OD1-CE 3.23Å; D817-K821 IonicContact OD1-NZ 3.1Å; D817-K821 PolarHBondContact OD1-NZ 3.34Å; D817-K821 VanDerWaalsContact OD1-NZ 3.1Å; D817-K821 WeakPolarHBondContact OD2-CE 3.28Å; D817-K821 IonicContact OD2-NZ 2.66Å; D817-K821 PolarHBondContact OD2-NZ 2.88Å |
| 818 | R | 89.9 | Confident | 88.8 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 179.2 | -72.2 | -172.9 | -174.6 | -170.8 | -7.7 | 113.2 | L780 L784 S785 E790 L814 L815 S820 K821 G823 | L780-R818 PolarHBondContact O-NH1 3.44Å; L784-R818 HydrophobicContact CB-CB 4.37Å; L784-R818 HydrophobicContact CD1-CB 4.12Å; L784-R818 PolarHBondContact O-NH1 2.95Å; S785-R818 VanDerWaalsContact CB-NH1 3.29Å; S785-R818 VanDerWaalsContact N-NH1 3.11Å; E790-R818 IonicContact OE1-CZ 3.32Å; E790-R818 IonicContact OE1-NH2 2.76Å; E790-R818 PolarHBondContact OE1-NH2 3.17Å; E790-R818 IonicContact OE2-CZ 2.71Å; E790-R818 IonicContact OE2-NH2 2.74Å; E790-R818 PolarHBondContact OE2-NH2 2.85Å; L814-R818 HydrophobicContact CD1-CG 4.26Å; L814-R818 WeakPolarHBondContact O-CB 3.46Å; L814-R818 VanDerWaalsContact O-CG 3.29Å; L814-R818 WeakPolarHBondContact O-CG 3.42Å; L814-R818 PolarHBondContact O-N 3.34Å; L815-R818 PolarHBondContact O-N 2.8Å; R818-S820 VanDerWaalsContact C-N 3.29Å; R818-K821 PolarHBondContact O-N 3.32Å; R818-G823 WeakPolarHBondContact O-CA 3.26Å; R818-G823 PolarHBondContact O-N 3.49Å |
| 819 | L | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 171.2 | -71.2 | 175.4 | 0 | 0 | 0 | 110.8 | I738 Q742 L815 C816 K821 G822 G823 L825 | I738-L819 HydrophobicContact CG2-CD1 3.88Å; Q742-L819 HydrophobicContact CG-CB 4.24Å; Q742-L819 PolarHBondContact OE1-O 3.36Å; L815-L819 HydrophobicContact CD1-CD1 4.43Å; L815-L819 HydrophobicContact CG-CD1 4.17Å; L815-L819 WeakPolarHBondContact O-CB 3.38Å; L815-L819 VanDerWaalsContact O-CG 3.32Å; L815-L819 WeakPolarHBondContact O-CG 3.44Å; L815-L819 PolarHBondContact O-N 3.34Å; C816-L819 PolarHBondContact O-N 2.89Å; L819-K821 VanDerWaalsContact C-N 3.25Å; L819-K821 PolarHBondContact O-N 2.82Å; L819-G822 PolarHBondContact O-N 3.43Å; L819-G823 WeakPolarHBondContact CD2-O 3.4Å; L819-L825 HydrophobicContact CD2-CD2 4.32Å; L819-L825 HydrophobicContact CD2-CG 4.25Å |
| 820 | S | 87.8 | Confident | 84.2 | Confident | 52 Ų | 52 | 60 Ų | 60 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -29.9 | 176.1 | 89.3 | 0 | 0 | 0 | 0 | 114.1 | C816 D817 R818 G822 | C816-S820 WeakPolarHBondContact O-CB 3.41Å; C816-S820 PolarHBondContact O-N 3.08Å; D817-S820 WeakPolarHBondContact O-CB 3.48Å; D817-S820 PolarHBondContact O-N 2.8Å; D817-S820 PolarHBondContact O-OG 2.99Å; R818-S820 VanDerWaalsContact C-N 3.29Å; S820-G822 PolarHBondContact O-N 3.3Å |
| 821 | K | 88.9 | Confident | 81.5 | Confident | 152 Ų | 152 | 57 Ų | 57 | 66% | 0.661 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 10.4 | 176 | -69.9 | 168.7 | 179.4 | 165.1 | 0 | 113.4 | D817 R818 L819 | D817-K821 VanDerWaalsContact CG-NZ 3.27Å; D817-K821 WeakPolarHBondContact O-CG 3.42Å; D817-K821 PolarHBondContact O-N 3.14Å; D817-K821 VanDerWaalsContact O-N 3.09Å; D817-K821 WeakPolarHBondContact OD1-CE 3.23Å; D817-K821 IonicContact OD1-NZ 3.1Å; D817-K821 PolarHBondContact OD1-NZ 3.34Å; D817-K821 VanDerWaalsContact OD1-NZ 3.1Å; D817-K821 WeakPolarHBondContact OD2-CE 3.28Å; D817-K821 IonicContact OD2-NZ 2.66Å; D817-K821 PolarHBondContact OD2-NZ 2.88Å; R818-K821 PolarHBondContact O-N 3.32Å; L819-K821 VanDerWaalsContact C-N 3.25Å; L819-K821 PolarHBondContact O-N 2.82Å |
| 822 | G | 86.3 | Confident | 78.6 | Confident | 50 Ų | 50 | 61.3 Ų | 61.3 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 7.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L819 S820 | L819-G822 PolarHBondContact O-N 3.43Å; S820-G822 PolarHBondContact O-N 3.3Å |
| 823 | G | 86.8 | Confident | 75.5 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 19% | 0.186 | 40% | 0.399 | C | S | . | . | trans | -59.2 | 148.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R818 L819 | R818-G823 WeakPolarHBondContact O-CA 3.26Å; R818-G823 PolarHBondContact O-N 3.49Å; L819-G823 WeakPolarHBondContact CD2-O 3.4Å | ||
| 824 | R | 88 | Confident | 72.6 | Confident | 100 Ų | 100 | 67.8 Ų | 67.8 | 38% | 0.377 | 42% | 0.419 | S | S | . | . | trans | -134.7 | 154.7 | 177.8 | -67.2 | -63.1 | -179.8 | -104.6 | 13.7 | 110 | Q742 | Q742-R824 PolarHBondContact O-NH2 2.93Š| ||
| 825 | L | 88.9 | Confident | 69.6 | Low | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | trans | -98 | 137.7 | -174.1 | -56.6 | 172.5 | 0 | 0 | 0 | 110.7 | Q748 I751 L752 L784 L815 L819 | Q748-L825 HydrophobicContact CG-CB 4.3Å; I751-L825 HydrophobicContact CD1-CB 4.26Å; I751-L825 HydrophobicContact CG2-CB 4.3Å; I751-L825 HydrophobicContact CG2-CD1 4.33Å; L752-L825 HydrophobicContact CD1-CD1 4.26Å; L752-L825 HydrophobicContact CD2-CD1 3.56Å; L752-L825 HydrophobicContact CG-CD1 3.57Å; L784-L825 HydrophobicContact CD1-CD2 4.27Å; L815-L825 HydrophobicContact CD1-CD2 4.36Å; L819-L825 HydrophobicContact CD2-CD2 4.32Å; L819-L825 HydrophobicContact CD2-CG 4.25Å | ||
| 826 | C | 83.9 | Confident | 66.6 | Low | 57 Ų | 57 | 80.6 Ų | 80.6 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | trans | -146.4 | 150.4 | 178.7 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | C783 | C783-C826 PolarHBondContact SG-O 2.79Š| ||
| 827 | L | 78.7 | Confident | 63.6 | Low | 142 Ų | 142 | 89.1 Ų | 89.1 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -95.2 | -17.5 | 178.8 | -66.8 | 171 | 0 | 0 | 0 | 113.7 | I751 | I751-L827 HydrophobicContact CD1-CD1 4.42Å; I751-L827 HydrophobicContact CD1-CD2 4.41Å; I751-L827 HydrophobicContact CD1-CG 3.96Å; I751-L827 HydrophobicContact CG1-CD1 4.23Å; I751-L827 HydrophobicContact CG1-CD2 4.18Å; I751-L827 HydrophobicContact CG1-CG 4.08Å |
| 828 | S | 64.1 | Low | 60.9 | Low | 84 Ų | 84 | 92.4 Ų | 92.4 | 59% | 0.587 | 55% | 0.55 | S | S | * | . | trans | -104.6 | 130.8 | -174.4 | -37.9 | 0 | 0 | 0 | 0 | 111.2 | D830 | S828-D830 PolarHBondContact O-N 2.97Š| ||
| 829 | T | 51.3 | Low | 58.1 | Low | 112 Ų | 112 | 98.8 Ų | 98.8 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -63.6 | -17 | 174.9 | 38 | 0 | 0 | 0 | 0 | 113.9 | ||
| 830 | D | 41.3 | Very low | 55.3 | Low | 152 Ų | 152 | 105.1 Ų | 105.1 | 81% | 0.813 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -90.1 | -4.6 | -173 | -68.7 | -23.4 | 0 | 0 | 0 | 115.2 | S828 | S828-D830 PolarHBondContact O-N 2.97Š|
| 831 | A | 35.8 | Very low | 52.7 | Low | 66 Ų | 66 | 106.2 Ų | 106.2 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -90.4 | -1.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A833 | A831-A833 VanDerWaalsContact C-N 3.29Å; A831-A833 PolarHBondContact O-N 3.23Å; A831-A833 VanDerWaalsContact O-N 3.14Å |
| 832 | A | 33.6 | Very low | 49.8 | Very low | 97 Ų | 97 | 102.8 Ų | 102.8 | 80% | 0.802 | 65% | 0.651 | S | S | * | * | trans | -88 | 52.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 833 | A | 29 | Very low | 47.2 | Very low | 74 Ų | 74 | 106.8 Ų | 106.8 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -118.2 | 125.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | A831 Q835 | A831-A833 VanDerWaalsContact C-N 3.29Å; A831-A833 PolarHBondContact O-N 3.23Å; A831-A833 VanDerWaalsContact O-N 3.14Å; A833-Q835 PolarHBondContact O-N 3.36Å; A833-Q835 VanDerWaalsContact O-N 3.12Å |
| 834 | P | 33.2 | Very low | 44.6 | Very low | 122 Ų | 122 | 111.6 Ų | 111.6 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -65.5 | 118 | -176.3 | 26.3 | -31.1 | 0 | 0 | 0 | 109.4 | T836 | P834-T836 PolarHBondContact O-N 3.12Š| ||
| 835 | Q | 29.2 | Very low | 41.8 | Very low | 194 Ų | 194 | 112.6 Ų | 112.6 | 91% | 0.907 | 71% | 0.713 | S | S | * | * | trans | -68.1 | 99.2 | 167 | -76.1 | -176.9 | -9.2 | 0 | 0 | 108.6 | A833 M837 | A833-Q835 PolarHBondContact O-N 3.36Å; A833-Q835 VanDerWaalsContact O-N 3.12Å; Q835-M837 PolarHBondContact O-N 3.18Å | ||
| 836 | T | 29.5 | Very low | 39.2 | Very low | 120 Ų | 120 | 120 Ų | 120 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -56.6 | 119 | 168.5 | -24.4 | 0 | 0 | 0 | 0 | 109.2 | P834 V838 | P834-T836 PolarHBondContact O-N 3.12Å; T836-V838 PolarHBondContact O-N 2.84Å; T836-V838 VanDerWaalsContact O-N 3.13Å | ||
| 837 | M | 27.5 | Very low | 36.9 | Very low | 185 Ų | 185 | 122.8 Ų | 122.8 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -58.5 | 113.6 | 167.8 | -79.6 | 177.3 | 72 | 0 | 0 | 109.1 | Q835 | Q835-M837 PolarHBondContact O-N 3.18Š| ||
| 838 | V | 33.9 | Very low | 34.8 | Very low | 130 Ų | 130 | 125 Ų | 125 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -126 | 118.6 | 166.3 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | T836 | T836-V838 PolarHBondContact O-N 2.84Å; T836-V838 VanDerWaalsContact O-N 3.13Å | ||
| 839 | M | 31.1 | Very low | 33.3 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | -59.3 | 147.6 | 176.5 | -73.6 | -80.1 | -71.5 | 0 | 0 | 111.8 | G841 | M839-G841 PolarHBondContact O-N 3.42Š| ||
| 840 | P | 33 | Very low | 32.6 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -79.9 | 114.4 | -176.8 | 31.2 | -30.8 | 0 | 0 | 0 | 111 | ||||
| 841 | G | 31.8 | Very low | 32.3 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -152.6 | 111.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | M839 | M839-G841 PolarHBondContact O-N 3.42Š| ||
| 842 | G | 28.6 | Very low | 32.2 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -76 | 152 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 843 | C | 31.3 | Very low | 32.1 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -163.3 | 142.4 | 135.9 | -137.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 844 | T | 32.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 73% | 0.73 | 82% | 0.823 | S | S | * | * | trans | -87.4 | 148.2 | -168 | 33.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 845 | T | 30.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | 66.6 | 130.9 | 142.1 | 55 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 846 | I | 33.9 | Very low | 32.3 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | -164 | 136.4 | 108.6 | -81 | 143.3 | 0 | 0 | 0 | 108.4 | |||||
| 847 | P | 34.2 | Very low | 32.4 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | -98.3 | 139.8 | 176.7 | 35.5 | -27.1 | 0 | 0 | 0 | 112.2 | ||||
| 848 | E | 36.1 | Very low | 32.5 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -121.7 | 111 | 165.1 | -84 | -178.3 | 166.4 | 0 | 0 | 109.3 | ||||
| 849 | S | 32.3 | Very low | 32.2 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -82.1 | 135 | 156 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 850 | D | 36.4 | Very low | 32.3 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -145.6 | 131 | 148 | -95.7 | -28.3 | 0 | 0 | 0 | 111 | ||||
| 851 | L | 34.8 | Very low | 32 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | -79.6 | 143.3 | -179.4 | -69.6 | 137.7 | 0 | 0 | 0 | 110.2 | ||||
| 852 | E | 34.4 | Very low | 32 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -136.2 | 102.1 | 142.6 | -80.9 | -162.3 | 155.6 | 0 | 0 | 109.7 | ||||
| 853 | E | 29.9 | Very low | 32 | Very low | 174 Ų | 174 | 153 Ų | 153 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -72.3 | 135.2 | 157.4 | -72.9 | 178.7 | 142.4 | 0 | 0 | 109.6 | ||||
| 854 | R | 34.1 | Very low | 32 | Very low | 243 Ų | 243 | 156.5 Ų | 156.5 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | trans | -141.1 | 99.6 | 151.5 | -101.5 | -175.6 | -178.3 | 174.8 | 1.9 | 111.3 | ||||
| 855 | S | 32.7 | Very low | 31.7 | Very low | 108 Ų | 108 | 156 Ų | 156 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | 51.9 | 112.8 | 129.2 | 57.9 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 856 | V | 29.1 | Very low | 31.7 | Very low | 132 Ų | 132 | 157 Ų | 157 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -51 | 135 | 152.3 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 857 | E | 31.3 | Very low | 31.6 | Very low | 198 Ų | 198 | 158.9 Ų | 158.9 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -139.8 | 136.7 | 148.8 | -103.7 | -177.6 | -179.8 | 0 | 0 | 110.2 | ||||
| 858 | Q | 30.3 | Very low | 31.3 | Very low | 170 Ų | 170 | 164.2 Ų | 164.2 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | -77.6 | 170.7 | -175.6 | -77 | 167.6 | -71.8 | 0 | 0 | 112.9 | ||||
| 859 | D | 28.9 | Very low | 31.1 | Very low | 148 Ų | 148 | 163.1 Ų | 163.1 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | 80.1 | 101.4 | 160.4 | -64.2 | -16.9 | 0 | 0 | 0 | 117.6 | ||||
| 860 | S | 32 | Very low | 31 | Very low | 112 Ų | 112 | 165 Ų | 165 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | 177.2 | 129 | 96.6 | 37.3 | 0 | 0 | 0 | 0 | 111.5 | E862 | S860-E862 PolarHBondContact O-N 2.93Š| |||
| 861 | T | 27.7 | Very low | 30.8 | Very low | 143 Ų | 143 | 163.8 Ų | 163.8 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -45.9 | 115.1 | 160.2 | 16.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 862 | E | 31.5 | Very low | 30.6 | Very low | 174 Ų | 174 | 161 Ų | 161 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | trans | -139.1 | 127.7 | 150.1 | -78.3 | -158.9 | 159.6 | 0 | 0 | 111.8 | S860 | S860-E862 PolarHBondContact O-N 2.93Š| ||
| 863 | L | 29 | Very low | 30.3 | Very low | 155 Ų | 155 | 161.1 Ų | 161.1 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -62.3 | 127.2 | 175.6 | -69.6 | 119.9 | 0 | 0 | 0 | 111.4 | ||||
| 864 | F | 29.7 | Very low | 30.4 | Very low | 210 Ų | 210 | 159 Ų | 159 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -108.1 | 82.5 | 153.7 | -88.2 | -85.4 | 0 | 0 | 0 | 109.6 | ||||
| 865 | T | 26.2 | Very low | 30.2 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 66% | 0.656 | 81% | 0.811 | S | S | * | * | trans | -102.8 | 113.5 | 149.5 | 35.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 866 | N | 31.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 158.7 Ų | 158.7 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | 177.6 | 100.3 | 152 | -92.1 | -30.6 | 0 | 0 | 0 | 110.4 | ||||
| 867 | H | 31.6 | Very low | 30.3 | Very low | 197 Ų | 197 | 157.4 Ų | 157.4 | 91% | 0.912 | 81% | 0.812 | S | S | * | * | trans | -152.3 | 78 | 132.3 | -93.9 | -53.4 | 0 | 0 | 0 | 109 | ||||
| 868 | R | 28 | Very low | 30.2 | Very low | 227 Ų | 227 | 157.1 Ų | 157.1 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -84.3 | 124.4 | 149.5 | -116.6 | 179.4 | 177.1 | 175.6 | -0.3 | 105.7 | ||||
| 869 | H | 32.6 | Very low | 30.5 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -174.8 | 110.6 | 142.4 | -94.3 | -58.4 | 0 | 0 | 0 | 111.7 | ||||
| 870 | L | 29.1 | Very low | 30.7 | Very low | 142 Ų | 142 | 153.2 Ų | 153.2 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | 66.5 | 109.8 | 129.9 | -65.3 | 164.4 | 0 | 0 | 0 | 120.4 | |||||
| 871 | T | 32.6 | Very low | 30.9 | Very low | 142 Ų | 142 | 154 Ų | 154 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | 176.3 | 96.5 | 116.7 | 26.1 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 872 | A | 31.4 | Very low | 31.4 | Very low | 88 Ų | 88 | 155.5 Ų | 155.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 100.2 | 81.5 | 101 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 873 | E | 27.2 | Very low | 31.7 | Very low | 202 Ų | 202 | 156.5 Ų | 156.5 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -65.8 | 127.3 | 152.9 | -76.4 | -178.9 | 150.5 | 0 | 0 | 109 | ||||
| 874 | T | 31.6 | Very low | 31.9 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -137.9 | 135.5 | 155.6 | -18.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 875 | P | 31.4 | Very low | 32.4 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | trans | -103.4 | 173 | -158.8 | 38 | -30.9 | 0 | 0 | 0 | 114.1 | ||||
| 876 | R | 31.7 | Very low | 32.9 | Very low | 234 Ų | 234 | 149.3 Ų | 149.3 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | 102.4 | 156 | 156.8 | -66.4 | 179.2 | 169.8 | -177.4 | -3.1 | 117.2 | ||||
| 877 | P | 31.6 | Very low | 33.1 | Very low | 106 Ų | 106 | 154.7 Ų | 154.7 | 69% | 0.688 | 84% | 0.835 | S | S | * | * | cis | -130.4 | 166.9 | -12.7 | 21.7 | 2.1 | 0 | 0 | 0 | 114.5 | ||||
| 878 | E | 28.5 | Very low | 33.2 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -24.6 | 127.3 | 160.6 | -64.1 | 165.4 | 150.4 | 0 | 0 | 115.6 | ||||
| 879 | V | 36.2 | Very low | 33.4 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -109.1 | 104.6 | 156.1 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 880 | S | 33.2 | Very low | 33.5 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 66% | 0.657 | 83% | 0.832 | S | S | * | * | trans | -57.8 | 144.8 | 167.8 | 40.3 | 0 | 0 | 0 | 0 | 111.8 | L882 | S880-L882 PolarHBondContact O-N 2.79Š| ||
| 881 | P | 37 | Very low | 33.8 | Very low | 129 Ų | 129 | 148 Ų | 148 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | trans | -76.3 | 124.7 | 178.9 | 31.4 | -30.7 | 0 | 0 | 0 | 110 | Q883 | P881-Q883 PolarHBondContact O-N 3.34Š| ||
| 882 | L | 37.5 | Very low | 33.8 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -78.9 | 111.9 | 167.2 | -86.3 | 158.3 | 0 | 0 | 0 | 108.8 | S880 | S880-L882 PolarHBondContact O-N 2.79Š| ||
| 883 | Q | 38 | Very low | 34 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | trans | -58 | 138.8 | 153.2 | -78.5 | 174.2 | -39.4 | 0 | 0 | 109.7 | P881 | P881-Q883 PolarHBondContact O-N 3.34Š| ||
| 884 | G | 34.5 | Very low | 34.5 | Very low | 67 Ų | 67 | 148.9 Ų | 148.9 | 69% | 0.691 | 84% | 0.836 | S | S | * | * | trans | 170.7 | 58.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | S886 | G884-S886 PolarHBondContact O-N 2.8Š| ||
| 885 | V | 39 | Very low | 34.7 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | trans | -67.1 | 119.6 | 164.5 | 175.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 886 | S | 36.8 | Very low | 35 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -129.9 | 79.3 | 163.9 | -46 | 0 | 0 | 0 | 0 | 106.9 | G884 | G884-S886 PolarHBondContact O-N 2.8Š| ||
| 887 | E | 35.6 | Very low | 35.3 | Very low | 257 Ų | 257 | 146.4 Ų | 146.4 | 100% | 1.201 | 85% | 0.846 | S | S | * | * | trans | -160.1 | 0 | 139.2 | -102.5 | -172.7 | -179.3 | 0 | 0 | 107.4 |
Retrieved 887 of 887 residues in 312 ms
(Link to these results)