| 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 | 29.5 | Very low | 64.1 | Low | 247 Ų | 247 | 102.5 Ų | 102.5 | 100% | 1.217 | 55% | 0.553 | S | S | * | * | 0 | 138.6 | 0 | -69.2 | 169.8 | 174.9 | 0 | 0 | 107.7 | |||||
| 2 | S | 34.1 | Very low | 66.9 | Low | 113 Ų | 113 | 94 Ų | 94 | 79% | 0.79 | 51% | 0.507 | S | S | * | . | trans | -72.3 | 148.1 | -174.1 | -164.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | K | 38.5 | Very low | 69.2 | Low | 139 Ų | 139 | 86.9 Ų | 86.9 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | trans | -64.2 | 137.3 | 163.9 | -75.5 | -179.3 | 175 | 177 | 0 | 108.2 | K5 E361 | K3-K5 PolarHBondContact O-N 3.44Å; K3-E361 IonicContact NZ-OE1 4Å; K3-E361 PolarHBondContact NZ-OE1 2.64Å; K3-E361 IonicContact NZ-OE2 3.96Å; K3-E361 PolarHBondContact NZ-OE2 3.39Å | ||
| 4 | N | 39.3 | Very low | 71.3 | Confident | 166 Ų | 166 | 80.7 Ų | 80.7 | 89% | 0.888 | 44% | 0.435 | S | S | * | . | trans | -63.3 | 102 | 166.6 | -76.2 | 7.6 | 0 | 0 | 0 | 108.9 | S6 | N4-S6 PolarHBondContact O-N 2.77Š| ||
| 5 | K | 48.2 | Very low | 73 | Confident | 138 Ų | 138 | 76.5 Ų | 76.5 | 60% | 0.6 | 41% | 0.411 | S | S | * | . | trans | -69 | 119.5 | 157.8 | -67.6 | -177.7 | 174.8 | -178.4 | 0 | 106.5 | K3 S7 Q347 | K3-K5 PolarHBondContact O-N 3.44Å; K5-S7 PolarHBondContact O-N 3.34Å; K5-S7 VanDerWaalsContact O-N 3.09Å; K5-Q347 VanDerWaalsContact CD-OE1 3.3Å; K5-Q347 VanDerWaalsContact NZ-OE1 3.08Å | ||
| 6 | S | 63.2 | Low | 74.5 | Confident | 100 Ų | 100 | 72.2 Ų | 72.2 | 70% | 0.699 | 39% | 0.388 | S | S | * | . | trans | -68.2 | 103.7 | 171.4 | 49.9 | 0 | 0 | 0 | 0 | 108.9 | N4 | N4-S6 PolarHBondContact O-N 2.77Š| ||
| 7 | S | 79.4 | Confident | 75.6 | Confident | 66 Ų | 66 | 71 Ų | 71 | 46% | 0.462 | 38% | 0.377 | S | S | . | . | trans | -73.6 | 143.2 | 162.8 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | K5 Q345 N346 | K5-S7 PolarHBondContact O-N 3.34Å; K5-S7 VanDerWaalsContact O-N 3.09Å; S7-Q345 VanDerWaalsContact CB-OE1 3.28Å; S7-Q345 PolarHBondContact OG-OE1 3.14Å; S7-N346 VanDerWaalsContact CA-O 3.22Å; S7-N346 WeakPolarHBondContact CA-O 3.13Å; S7-N346 WeakPolarHBondContact CB-O 3.13Å | ||
| 8 | E | 89.4 | Confident | 76.5 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 20% | 0.201 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.7 | 170.2 | -170.4 | 168.8 | 177.2 | 0 | 0 | 106.4 | K11 K314 N346 P348 | E8-K11 VanDerWaalsContact OE1-CE 3.31Å; E8-K11 WeakPolarHBondContact OE1-CE 3.09Å; E8-K11 IonicContact OE1-NZ 3.56Å; E8-K11 PolarHBondContact OE1-NZ 3.04Å; E8-K314 IonicContact OE1-NZ 3.32Å; E8-K314 WeakPolarHBondContact OE2-CD 3.34Å; E8-K314 WeakPolarHBondContact OE2-CE 3.37Å; E8-K314 IonicContact OE2-NZ 3.65Å; E8-K314 PolarHBondContact OE2-NZ 2.86Å; E8-N346 PolarHBondContact N-O 2.8Å; E8-N346 VanDerWaalsContact N-O 3.08Å; E8-N346 PolarHBondContact O-N 2.81Å; E8-P348 HydrophobicContact CB-CG 3.91Å |
| 9 | S | 92.5 | Very high | 77.1 | Confident | 45 Ų | 45 | 70.5 Ų | 70.5 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 147.6 | 175.2 | 43.8 | 0 | 0 | 0 | 0 | 110.6 | K11 I344 | S9-K11 PolarHBondContact O-N 3.14Å; S9-I344 CarbonylContact C-O 3.6Å; S9-I344 VanDerWaalsContact CA-O 3.3Å; S9-I344 WeakPolarHBondContact CA-O 3.4Å |
| 10 | V | 94.9 | Very high | 77.6 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 121.9 | 166.1 | 175.3 | 0 | 0 | 0 | 0 | 107.8 | V12 T315 K342 I344 N346 | V10-V12 HydrophobicContact CG1-CG2 4.43Å; V10-T315 HydrophobicContact CG1-CG2 4.05Å; V10-K342 WeakPolarHBondContact O-CA 3.4Å; V10-I344 HydrophobicContact CB-CB 4.31Å; V10-I344 HydrophobicContact CG2-CB 3.76Å; V10-I344 HydrophobicContact CG2-CG2 3.77Å; V10-I344 PolarHBondContact N-O 3.24Å; V10-N346 WeakPolarHBondContact CG2-OD1 3.31Å |
| 11 | K | 95.8 | Very high | 77.9 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 31% | 0.309 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 135.2 | 179.6 | -65.9 | 176.3 | -171.5 | 164.7 | 0 | 108.8 | E8 S9 T315 V316 M317 | E8-K11 VanDerWaalsContact OE1-CE 3.31Å; E8-K11 WeakPolarHBondContact OE1-CE 3.09Å; E8-K11 IonicContact OE1-NZ 3.56Å; E8-K11 PolarHBondContact OE1-NZ 3.04Å; S9-K11 PolarHBondContact O-N 3.14Å; K11-T315 PolarHBondContact N-O 3.45Å; K11-V316 HydrophobicContact CB-CG2 4.24Å; K11-V316 CarbonylContact O-C 3.54Å; K11-V316 WeakPolarHBondContact O-CA 3.37Å; K11-M317 PolarHBondContact O-N 2.88Å |
| 12 | V | 97.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.4 | -175.7 | -177 | 0 | 0 | 0 | 0 | 109.2 | V10 F60 D61 M317 A338 A341 K342 | V10-V12 HydrophobicContact CG1-CG2 4.43Å; V12-F60 HydrophobicContact CB-CD1 4.24Å; V12-F60 HydrophobicContact CG1-CD1 3.77Å; V12-F60 HydrophobicContact CG1-CE1 4.06Å; V12-F60 WeakPolarHBondContact O-CB 3.43Å; V12-D61 PolarHBondContact N-OD2 2.95Å; V12-D61 PolarHBondContact O-N 3.25Å; V12-D61 VanDerWaalsContact O-OD2 3.14Å; V12-M317 HydrophobicContact CG1-CB 4.42Å; V12-M317 HydrophobicContact CG1-CG 4.45Å; V12-M317 HydrophobicContact CG1-SD 4.25Å; V12-M317 HydrophobicContact CG2-CB 4.17Å; V12-M317 HydrophobicContact CG2-SD 4.47Å; V12-A338 HydrophobicContact CG1-CB 3.69Å; V12-A341 HydrophobicContact CG2-CB 3.97Å; V12-K342 HydrophobicContact CB-CB 4.04Å; V12-K342 HydrophobicContact CG2-CB 3.58Å |
| 13 | V | 97.4 | Very high | 82.8 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.4 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | D61 A62 Y64 V316 M317 V318 A319 | V13-D61 HydrophobicContact CG1-CB 4.3Å; V13-A62 VanDerWaalsContact CA-O 3.29Å; V13-A62 WeakPolarHBondContact CA-O 3.3Å; V13-A62 HydrophobicContact CB-CB 4.23Å; V13-A62 HydrophobicContact CG1-CB 3.74Å; V13-Y64 HydrophobicContact CB-CD2 4.47Å; V13-Y64 HydrophobicContact CB-CE2 3.96Å; V13-Y64 HydrophobicContact CG1-CE2 4.49Å; V13-Y64 HydrophobicContact CG2-CE2 4.11Å; V13-V316 HydrophobicContact CG2-CG1 4.4Å; V13-M317 PolarHBondContact N-O 3.3Å; V13-V318 HydrophobicContact CG2-CB 4.33Å; V13-V318 HydrophobicContact CG2-CG1 4.22Å; V13-V318 HydrophobicContact CG2-CG2 3.9Å; V13-V318 WeakPolarHBondContact O-CA 3.19Å; V13-A319 PolarHBondContact O-N 2.84Å |
| 14 | V | 98 | Very high | 84.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.7 | -174.8 | -171.4 | 0 | 0 | 0 | 0 | 110.4 | M35 V42 F60 A62 V63 Y64 A319 L321 L335 | V14-M35 HydrophobicContact CB-CE 4.22Å; V14-M35 HydrophobicContact CG1-CE 3.76Å; V14-V42 HydrophobicContact CB-CG2 4.03Å; V14-V42 HydrophobicContact CG1-CG2 4.05Å; V14-V42 HydrophobicContact CG2-CG2 4.27Å; V14-F60 HydrophobicContact CB-CD2 4.44Å; V14-F60 HydrophobicContact CG2-CB 4.3Å; V14-F60 HydrophobicContact CG2-CD1 3.83Å; V14-F60 HydrophobicContact CG2-CD2 3.41Å; V14-F60 VanDerWaalsContact CG2-CD2 3.41Å; V14-F60 HydrophobicContact CG2-CE1 3.92Å; V14-F60 HydrophobicContact CG2-CE2 3.48Å; V14-F60 VanDerWaalsContact CG2-CE2 3.48Å; V14-F60 HydrophobicContact CG2-CG 3.57Å; V14-F60 HydrophobicContact CG2-CZ 3.75Å; V14-A62 PolarHBondContact N-O 2.91Å; V14-A62 VanDerWaalsContact N-O 3.12Å; V14-V63 HydrophobicContact CB-CG1 4.33Å; V14-V63 CarbonylContact O-C 3.54Å; V14-V63 VanDerWaalsContact O-CA 3.3Å; V14-V63 WeakPolarHBondContact O-CA 3.22Å; V14-Y64 PolarHBondContact O-N 2.8Å; V14-A319 CarbonylContact C-O 3.57Å; V14-A319 WeakPolarHBondContact CA-O 3.01Å; V14-A319 HydrophobicContact CG1-CB 4.45Å; V14-A319 HydrophobicContact CG2-CB 4.24Å; V14-L321 HydrophobicContact CG1-CD1 3.39Å; V14-L321 HydrophobicContact CG1-CG 3.72Å; V14-L335 HydrophobicContact CG1-CD2 4.24Å; V14-L335 HydrophobicContact CG2-CD2 4.4Å |
| 15 | R | 97.6 | Very high | 86.5 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.7 | 177.4 | -171.1 | 179.9 | -159.9 | -179.4 | 11.7 | 111.1 | Y64 T106 A319 T320 L321 | R15-Y64 CarbonylContact C-O 3.53Å; R15-Y64 VanDerWaalsContact CA-O 3.3Å; R15-Y64 WeakPolarHBondContact CA-O 3.44Å; R15-T106 PolarHBondContact NH1-OG1 3.2Å; R15-A319 PolarHBondContact N-O 3.27Å; R15-T320 CarbonylContact O-C 3.57Å; R15-T320 WeakPolarHBondContact O-CA 3.23Å; R15-L321 PolarHBondContact O-N 3.31Å |
| 16 | C | 96.3 | Very high | 87.2 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 5% | 0.054 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.8 | 170.4 | -165.1 | 0 | 0 | 0 | 0 | 110 | V33 M35 Y64 D65 S66 L321 | C16-V33 HydrophobicContact CB-CG1 4.1Å; C16-M35 HydrophobicContact CB-CE 3.66Å; C16-M35 HydrophobicContact CB-SD 3.88Å; C16-Y64 PolarHBondContact N-O 2.78Å; C16-D65 CarbonylContact O-C 3.56Å; C16-D65 VanDerWaalsContact O-C 3.23Å; C16-S66 PolarHBondContact O-N 2.83Å; C16-L321 HydrophobicContact CB-CB 4.25Å; C16-L321 PolarHBondContact SG-O 2.82Å |
| 17 | R | 94.2 | Very high | 87 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 160.5 | 176.4 | 63.8 | 157.5 | 175.9 | 75.6 | -2.3 | 111.3 | E23 G100 T101 L321 P323 | R17-E23 IonicContact CZ-OE1 3.74Å; R17-E23 IonicContact CZ-OE2 2.72Å; R17-E23 IonicContact NH1-OE1 3.7Å; R17-E23 IonicContact NH1-OE2 3.89Å; R17-E23 PolarHBondContact NH1-OE2 3.07Å; R17-E23 IonicContact NH2-OE1 3.65Å; R17-E23 PolarHBondContact NH2-OE1 3.18Å; R17-E23 IonicContact NH2-OE2 2.79Å; R17-E23 PolarHBondContact NH2-OE2 2.77Å; R17-E23 VanDerWaalsContact NH2-OE2 3.16Å; R17-G100 PolarHBondContact NE-O 3.3Å; R17-G100 PolarHBondContact NH2-O 3.25Å; R17-T101 WeakPolarHBondContact CG-O 3.29Å; R17-L321 PolarHBondContact N-O 3.01Å; R17-P323 VanDerWaalsContact O-CD 3.32Å; R17-P323 WeakPolarHBondContact O-CD 3.49Å; R17-P323 VanDerWaalsContact O-CG 3.28Å; R17-P323 WeakPolarHBondContact O-CG 3.38Å |
| 18 | P | 91.6 | Very high | 85.9 | Confident | 76 Ų | 76 | 60.9 Ų | 60.9 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 160.1 | 163.7 | 23.9 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 19 | L | 88.1 | Confident | 84.2 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 144.3 | 165.6 | -75.3 | 160.9 | 0 | 0 | 0 | 109.5 | E23 E24 P323 A324 | L19-E23 HydrophobicContact CD2-CB 3.85Å; L19-E24 HydrophobicContact CB-CG 3.81Å; L19-P323 HydrophobicContact CB-CG 4.45Å; L19-P323 HydrophobicContact CD2-CB 4.34Å; L19-P323 HydrophobicContact CD2-CG 3.81Å; L19-P323 HydrophobicContact CG-CB 4.38Å; L19-P323 HydrophobicContact CG-CG 3.8Å; L19-A324 HydrophobicContact CD2-CB 3.95Å |
| 20 | S | 85.8 | Confident | 83 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 155.9 | 171 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | K22 E23 E24 | S20-K22 PolarHBondContact O-N 3.45Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 3.23Å; S20-E23 WeakPolarHBondContact O-CA 3.34Å; S20-E23 WeakPolarHBondContact O-CB 3.3Å; S20-E23 PolarHBondContact O-N 3.42Å; S20-E23 WeakPolarHBondContact OG-CG 3.26Å; S20-E23 PolarHBondContact OG-OE2 2.83Å; S20-E24 WeakPolarHBondContact O-CG 3.48Å; S20-E24 PolarHBondContact O-N 2.71Å |
| 21 | R | 85.1 | Confident | 82.3 | Confident | 219 Ų | 219 | 66.3 Ų | 66.3 | 83% | 0.826 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -51.5 | -31.2 | 179.4 | -63.9 | -178.8 | -177.2 | 171.8 | 0.4 | 114.5 | E24 S25 | R21-E24 VanDerWaalsContact CA-OE2 3.32Å; R21-E24 WeakPolarHBondContact CA-OE2 3.45Å; R21-S25 WeakPolarHBondContact O-CB 3.36Å; R21-S25 PolarHBondContact O-N 3.02Å; R21-S25 VanDerWaalsContact O-N 3.13Å; R21-S25 PolarHBondContact O-OG 2.75Å |
| 22 | K | 81.3 | Confident | 82 | Confident | 167 Ų | 167 | 63.2 Ų | 63.2 | 73% | 0.726 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -74.5 | -23.6 | 176.2 | -66.1 | -175.1 | 179.5 | -179 | 0 | 113.7 | S20 S25 N26 | S20-K22 PolarHBondContact O-N 3.45Å; K22-S25 PolarHBondContact O-OG 2.87Å; K22-N26 VanDerWaalsContact O-CB 3.26Å; K22-N26 WeakPolarHBondContact O-CB 3.34Å; K22-N26 PolarHBondContact O-ND2 2.88Å |
| 23 | E | 84.3 | Confident | 81.8 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.056 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -90.3 | -35 | 176.5 | -67.6 | 158.2 | 148.5 | 0 | 0 | 110.8 | R17 L19 S20 S25 N26 G27 A324 H327 | R17-E23 IonicContact CZ-OE1 3.74Å; R17-E23 IonicContact CZ-OE2 2.72Å; R17-E23 IonicContact NH1-OE1 3.7Å; R17-E23 IonicContact NH1-OE2 3.89Å; R17-E23 PolarHBondContact NH1-OE2 3.07Å; R17-E23 IonicContact NH2-OE1 3.65Å; R17-E23 PolarHBondContact NH2-OE1 3.18Å; R17-E23 IonicContact NH2-OE2 2.79Å; R17-E23 PolarHBondContact NH2-OE2 2.77Å; R17-E23 VanDerWaalsContact NH2-OE2 3.16Å; L19-E23 HydrophobicContact CD2-CB 3.85Å; S20-E23 WeakPolarHBondContact CB-OE2 3.46Å; S20-E23 PolarHBondContact N-OE2 3.23Å; S20-E23 WeakPolarHBondContact O-CA 3.34Å; S20-E23 WeakPolarHBondContact O-CB 3.3Å; S20-E23 PolarHBondContact O-N 3.42Å; S20-E23 WeakPolarHBondContact OG-CG 3.26Å; S20-E23 PolarHBondContact OG-OE2 2.83Å; E23-S25 VanDerWaalsContact C-N 3.32Å; E23-N26 PolarHBondContact O-N 3.14Å; E23-G27 PolarHBondContact O-N 3.24Å; E23-A324 HydrophobicContact CB-CB 3.9Å; E23-A324 HydrophobicContact CG-CB 3.7Å; E23-H327 IonicContact OE1-CD2 3.01Å; E23-H327 PolarHBondContact OE1-CD2 3.31Å; E23-H327 IonicContact OE1-CE1 3.09Å; E23-H327 IonicContact OE1-NE2 2.81Å; E23-H327 PolarHBondContact OE1-NE2 3.02Å |
| 24 | E | 82.3 | Confident | 81.5 | Confident | 125 Ų | 125 | 70 Ų | 70 | 58% | 0.584 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.4 | -38.4 | 170.4 | -63.8 | 174.3 | 143.3 | 0 | 0 | 111.8 | L19 S20 R21 | L19-E24 HydrophobicContact CB-CG 3.81Å; S20-E24 WeakPolarHBondContact O-CG 3.48Å; S20-E24 PolarHBondContact O-N 2.71Å; R21-E24 VanDerWaalsContact CA-OE2 3.32Å; R21-E24 WeakPolarHBondContact CA-OE2 3.45Å |
| 25 | S | 73.8 | Confident | 81.2 | Confident | 84 Ų | 84 | 71.7 Ų | 71.7 | 59% | 0.587 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -25.1 | 178.9 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | R21 K22 E23 | R21-S25 WeakPolarHBondContact O-CB 3.36Å; R21-S25 PolarHBondContact O-N 3.02Å; R21-S25 VanDerWaalsContact O-N 3.13Å; R21-S25 PolarHBondContact O-OG 2.75Å; K22-S25 PolarHBondContact O-OG 2.87Å; E23-S25 VanDerWaalsContact C-N 3.32Å |
| 26 | N | 63.3 | Low | 81 | Confident | 121 Ų | 121 | 73.4 Ų | 73.4 | 65% | 0.647 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -5.6 | -166.8 | -62.2 | 7.9 | 0 | 0 | 0 | 114 | K22 E23 | K22-N26 VanDerWaalsContact O-CB 3.26Å; K22-N26 WeakPolarHBondContact O-CB 3.34Å; K22-N26 PolarHBondContact O-ND2 2.88Å; E23-N26 PolarHBondContact O-N 3.14Å |
| 27 | G | 57.4 | Low | 80.7 | Confident | 31 Ų | 31 | 76.4 Ų | 76.4 | 32% | 0.32 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -104.5 | 154.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E23 | E23-G27 PolarHBondContact O-N 3.24Š|
| 28 | P | 57.3 | Low | 80.3 | Confident | 101 Ų | 101 | 83 Ų | 83 | 66% | 0.656 | 46% | 0.46 | S | S | * | . | trans | -63.9 | 150.1 | 161.3 | 30.7 | -34.5 | 0 | 0 | 0 | 109.9 | G30 P325 | P28-G30 PolarHBondContact O-N 3.4Å; P28-P325 HydrophobicContact CG-CG 4.18Å | ||
| 29 | A | 54.5 | Low | 80.1 | Confident | 116 Ų | 116 | 81 Ų | 81 | 96% | 0.959 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -62 | 119.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 30 | G | 66.3 | Low | 80.3 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 116 | 146.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | P28 | P28-G30 PolarHBondContact O-N 3.4Š|
| 31 | G | 81.3 | Confident | 80.7 | Confident | 37 Ų | 37 | 78 Ų | 78 | 38% | 0.381 | 42% | 0.424 | S | S | . | . | trans | -77.2 | 159.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P323 | G31-P323 CarbonylContact C-O 3.51Å; G31-P323 WeakPolarHBondContact CA-O 3.3Å | ||
| 32 | I | 89.6 | Confident | 81.1 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -89.3 | -12.3 | 171.6 | 49.5 | 161.3 | 0 | 0 | 0 | 113.8 | L44 K45 P47 P323 A324 P325 Y328 | I32-L44 HydrophobicContact CD1-CD1 4.29Å; I32-K45 WeakPolarHBondContact CB-O 3.3Å; I32-K45 WeakPolarHBondContact CG2-O 3.27Å; I32-K45 PolarHBondContact O-N 2.81Å; I32-P47 HydrophobicContact CG2-CB 4.17Å; I32-P47 HydrophobicContact CG2-CG 4.1Å; I32-P323 VanDerWaalsContact CG1-O 3.27Å; I32-P323 WeakPolarHBondContact CG1-O 3.15Å; I32-P323 PolarHBondContact N-O 2.77Å; I32-A324 WeakPolarHBondContact CD1-O 3.31Å; I32-P325 HydrophobicContact CG2-CB 4.02Å; I32-P325 HydrophobicContact CG2-CG 4.1Å; I32-Y328 VanDerWaalsContact CD1-CA 3.45Å; I32-Y328 HydrophobicContact CD1-CD2 4.27Å |
| 33 | V | 91.8 | Very high | 81.7 | Confident | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.145 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.7 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | C16 M35 V42 L44 T331 | C16-V33 HydrophobicContact CB-CG1 4.1Å; V33-M35 HydrophobicContact CG1-CE 4.31Å; V33-M35 HydrophobicContact CG1-CG 4.17Å; V33-V42 HydrophobicContact CG1-CG1 3.72Å; V33-L44 HydrophobicContact CG2-CD1 3.96Å; V33-T331 HydrophobicContact CG2-CG2 3.9Å |
| 34 | Q | 91.4 | Very high | 82 | Confident | 122 Ų | 122 | 60.5 Ų | 60.5 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.4 | 165.2 | 174.6 | 176.9 | -12 | 0 | 0 | 108.3 | I43 | Q34-I43 HydrophobicContact CB-CB 4.28Å; Q34-I43 PolarHBondContact N-O 2.79Å; Q34-I43 PolarHBondContact O-N 2.73Å |
| 35 | M | 92.9 | Very high | 82.3 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 17% | 0.167 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.3 | -177.5 | -76.2 | 173.9 | 157.7 | 0 | 0 | 111.6 | V14 C16 V33 Q41 V42 V63 Y64 D65 | V14-M35 HydrophobicContact CB-CE 4.22Å; V14-M35 HydrophobicContact CG1-CE 3.76Å; C16-M35 HydrophobicContact CB-CE 3.66Å; C16-M35 HydrophobicContact CB-SD 3.88Å; V33-M35 HydrophobicContact CG1-CE 4.31Å; V33-M35 HydrophobicContact CG1-CG 4.17Å; M35-Q41 CarbonylContact C-O 3.58Å; M35-Q41 WeakPolarHBondContact CA-O 3.2Å; M35-V42 HydrophobicContact CE-CG1 4.14Å; M35-V42 HydrophobicContact CE-CG2 3.8Å; M35-V42 HydrophobicContact CG-CG1 4.24Å; M35-V42 HydrophobicContact CG-CG2 4.27Å; M35-V63 HydrophobicContact CB-CG2 4.24Å; M35-V63 HydrophobicContact CE-CB 4.34Å; M35-V63 HydrophobicContact CG-CG2 4.49Å; M35-V63 HydrophobicContact SD-CB 4.38Å; M35-Y64 VanDerWaalsContact SD-O 3.34Å; M35-D65 HydrophobicContact SD-CB 4.2Å |
| 36 | D | 91.7 | Very high | 82.9 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 105.7 | 165.9 | -170.8 | -35.4 | 0 | 0 | 0 | 109 | R38 L39 G40 Q41 V63 | D36-R38 VanDerWaalsContact C-N 3.27Å; D36-R38 PolarHBondContact O-N 2.72Å; D36-R38 WeakPolarHBondContact OD1-CA 3.27Å; D36-R38 WeakPolarHBondContact OD1-CB 3.34Å; D36-R38 PolarHBondContact OD1-N 3.49Å; D36-L39 HydrophobicContact CB-CB 4.32Å; D36-L39 PolarHBondContact OD1-N 2.76Å; D36-G40 WeakPolarHBondContact O-CA 3.21Å; D36-G40 PolarHBondContact O-N 2.76Å; D36-Q41 HydrophobicContact CB-CB 4.31Å; D36-Q41 PolarHBondContact N-O 3.49Å; D36-Q41 PolarHBondContact O-N 3.46Å; D36-V63 VanDerWaalsContact O-CG2 3.31Å; D36-V63 WeakPolarHBondContact O-CG2 3.25Å |
| 37 | L | 89.9 | Confident | 83.8 | Confident | 72 Ų | 72 | 54.9 Ų | 54.9 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -29 | -179.5 | -59.9 | 168.2 | 0 | 0 | 0 | 112.7 | V63 D65 R509 | L37-V63 HydrophobicContact CD2-CG2 4.3Å; L37-V63 WeakPolarHBondContact CD2-O 3.42Å; L37-D65 HydrophobicContact CD2-CB 4.33Å; L37-R509 PolarHBondContact O-NE 3.38Å; L37-R509 PolarHBondContact O-NH2 2.84Å |
| 38 | R | 87 | Confident | 84.9 | Confident | 190 Ų | 190 | 61.3 Ų | 61.3 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -43.4 | -178.1 | -47.7 | -175 | -162.9 | -158.7 | 4.6 | 110.8 | D36 R509 | D36-R38 VanDerWaalsContact C-N 3.27Å; D36-R38 PolarHBondContact O-N 2.72Å; D36-R38 WeakPolarHBondContact OD1-CA 3.27Å; D36-R38 WeakPolarHBondContact OD1-CB 3.34Å; D36-R38 PolarHBondContact OD1-N 3.49Å; R38-R509 WeakPolarHBondContact O-CB 3.17Å; R38-R509 WeakPolarHBondContact O-CG 3.49Å |
| 39 | L | 87.1 | Confident | 85.8 | Confident | 34 Ų | 34 | 58 Ų | 58 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -7.8 | -178.7 | -58.5 | -174.4 | 0 | 0 | 0 | 113.7 | D36 Q41 Q512 Q513 L516 | D36-L39 HydrophobicContact CB-CB 4.32Å; D36-L39 PolarHBondContact OD1-N 2.76Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 HydrophobicContact CB-CB 4.43Å; L39-Q41 HydrophobicContact CB-CG 3.85Å; L39-Q512 HydrophobicContact CD2-CB 4.09Å; L39-Q513 WeakPolarHBondContact O-CG 3.47Å; L39-Q513 PolarHBondContact O-NE2 3.4Å; L39-L516 HydrophobicContact CD1-CD1 3.78Å; L39-L516 HydrophobicContact CD2-CD1 3.62Å; L39-L516 HydrophobicContact CG-CD1 4.28Å |
| 40 | G | 91.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 32.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D36 T59 F60 V63 | D36-G40 WeakPolarHBondContact O-CA 3.21Å; D36-G40 PolarHBondContact O-N 2.76Å; G40-T59 WeakPolarHBondContact O-CA 3.42Å; G40-F60 PolarHBondContact O-N 2.74Å; G40-V63 VanDerWaalsContact C-CG1 3.47Å; G40-V63 WeakPolarHBondContact O-CG1 3.39Å |
| 41 | Q | 93.9 | Very high | 87.1 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 143.8 | -171.9 | -68.1 | -175.6 | 9.9 | 0 | 0 | 113 | M35 D36 L39 T57 F58 T59 | M35-Q41 CarbonylContact C-O 3.58Å; M35-Q41 WeakPolarHBondContact CA-O 3.2Å; D36-Q41 HydrophobicContact CB-CB 4.31Å; D36-Q41 PolarHBondContact N-O 3.49Å; D36-Q41 PolarHBondContact O-N 3.46Å; L39-Q41 VanDerWaalsContact C-N 3.31Å; L39-Q41 HydrophobicContact CB-CB 4.43Å; L39-Q41 HydrophobicContact CB-CG 3.85Å; Q41-T57 HydrophobicContact CB-CG2 4.18Å; Q41-T57 HydrophobicContact CG-CG2 4.33Å; Q41-F58 CarbonylContact C-O 3.54Å; Q41-F58 VanDerWaalsContact CA-O 3.28Å; Q41-F58 WeakPolarHBondContact CA-O 3.47Å; Q41-T59 HydrophobicContact CG-CG2 4.08Å |
| 42 | V | 95.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.4 | 171.1 | -168 | 0 | 0 | 0 | 0 | 108.7 | V14 V33 M35 T57 F58 F60 V63 L321 L335 | V14-V42 HydrophobicContact CB-CG2 4.03Å; V14-V42 HydrophobicContact CG1-CG2 4.05Å; V14-V42 HydrophobicContact CG2-CG2 4.27Å; V33-V42 HydrophobicContact CG1-CG1 3.72Å; M35-V42 HydrophobicContact CE-CG1 4.14Å; M35-V42 HydrophobicContact CE-CG2 3.8Å; M35-V42 HydrophobicContact CG-CG1 4.24Å; M35-V42 HydrophobicContact CG-CG2 4.27Å; V42-T57 WeakPolarHBondContact O-CA 3.31Å; V42-F58 PolarHBondContact N-O 3.06Å; V42-F58 PolarHBondContact O-N 2.73Å; V42-F60 HydrophobicContact CB-CE2 4.37Å; V42-F60 HydrophobicContact CG2-CD2 3.93Å; V42-F60 HydrophobicContact CG2-CE2 3.9Å; V42-V63 HydrophobicContact CG2-CB 4.33Å; V42-V63 HydrophobicContact CG2-CG1 3.57Å; V42-L321 HydrophobicContact CG1-CD1 4.27Å; V42-L335 HydrophobicContact CB-CD2 4.02Å; V42-L335 HydrophobicContact CG1-CD1 4.17Å; V42-L335 HydrophobicContact CG1-CD2 4.04Å; V42-L335 HydrophobicContact CG2-CD2 4.22Å |
| 43 | I | 92.4 | Very high | 85.5 | Confident | 31 Ų | 31 | 66.5 Ų | 66.5 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 117.4 | 178.8 | -55.5 | 171.9 | 0 | 0 | 0 | 107.7 | Q34 Q55 T57 | Q34-I43 HydrophobicContact CB-CB 4.28Å; Q34-I43 PolarHBondContact N-O 2.79Å; Q34-I43 PolarHBondContact O-N 2.73Å; I43-Q55 HydrophobicContact CG2-CB 3.85Å; I43-Q55 VanDerWaalsContact CG2-OE1 3.28Å; I43-T57 HydrophobicContact CG1-CG2 4.05Å |
| 44 | L | 91.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.9 | -179 | -169.9 | 73.5 | 0 | 0 | 0 | 110.7 | I32 V33 K56 Y328 T331 L332 L335 | I32-L44 HydrophobicContact CD1-CD1 4.29Å; V33-L44 HydrophobicContact CG2-CD1 3.96Å; L44-K56 HydrophobicContact CB-CB 4.47Å; L44-K56 PolarHBondContact N-O 3.37Å; L44-K56 PolarHBondContact O-N 3.45Å; L44-Y328 HydrophobicContact CD1-CD2 4.35Å; L44-Y328 HydrophobicContact CD2-CD2 3.94Å; L44-Y328 HydrophobicContact CD2-CE2 3.53Å; L44-Y328 HydrophobicContact CG-CD2 4.03Å; L44-Y328 HydrophobicContact CG-CE2 3.75Å; L44-T331 HydrophobicContact CD1-CG2 3.57Å; L44-L332 HydrophobicContact CD2-CB 3.8Å; L44-L332 HydrophobicContact CD2-CD1 4.04Å; L44-L332 HydrophobicContact CD2-CG 4.48Å; L44-L335 HydrophobicContact CB-CD1 4.26Å; L44-L335 HydrophobicContact CD1-CD1 4.32Å; L44-L335 HydrophobicContact CD2-CD1 4.19Å; L44-L335 HydrophobicContact CG-CD1 4.49Å |
| 45 | K | 87.7 | Confident | 84.2 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 52% | 0.522 | 35% | 0.347 | S | S | . | . | trans | -90 | 120.8 | 176 | -177.1 | 179.7 | 177.7 | -175.3 | 0 | 110.3 | I32 P47 | I32-K45 WeakPolarHBondContact CB-O 3.3Å; I32-K45 WeakPolarHBondContact CG2-O 3.27Å; I32-K45 PolarHBondContact O-N 2.81Å; K45-P47 WeakPolarHBondContact O-CD 3.44Å | ||
| 46 | N | 86.1 | Confident | 83.9 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 17% | 0.166 | 35% | 0.346 | C | S | . | . | trans | -74.3 | 116.4 | 174 | -176.2 | -8 | 0 | 0 | 0 | 110.2 | R48 A49 E53 Y328 | N46-R48 PolarHBondContact O-N 2.69Å; N46-R48 PolarHBondContact OD1-N 2.78Å; N46-A49 HydrophobicContact CB-CB 3.64Å; N46-A49 PolarHBondContact O-N 3.04Å; N46-E53 PolarHBondContact ND2-OE1 3.27Å; N46-Y328 VanDerWaalsContact CA-CE2 3.43Å; N46-Y328 HydrophobicContact CB-CE1 4.46Å; N46-Y328 HydrophobicContact CB-CE2 3.78Å | ||
| 47 | P | 82.3 | Confident | 83.8 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.6 | -178.3 | 32.1 | -35.1 | 0 | 0 | 0 | 113.2 | I32 K45 P325 Y328 | I32-P47 HydrophobicContact CG2-CB 4.17Å; I32-P47 HydrophobicContact CG2-CG 4.1Å; K45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-P325 HydrophobicContact CB-CB 4.13Å; P47-P325 HydrophobicContact CG-CB 4.22Å; P47-Y328 HydrophobicContact CG-CG 4.37Å |
| 48 | R | 81.4 | Confident | 84 | Confident | 166 Ų | 166 | 65 Ų | 65 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -2.7 | 178.9 | -52.9 | -177.8 | -169.4 | 120.6 | 1.3 | 113 | N46 D329 | N46-R48 PolarHBondContact O-N 2.69Å; N46-R48 PolarHBondContact OD1-N 2.78Å; R48-D329 IonicContact CZ-OD2 3.94Å; R48-D329 VanDerWaalsContact NH1-CG 3.34Å; R48-D329 IonicContact NH1-OD1 2.83Å; R48-D329 PolarHBondContact NH1-OD1 3.48Å; R48-D329 IonicContact NH1-OD2 2.73Å; R48-D329 PolarHBondContact NH1-OD2 2.81Å; R48-D329 IonicContact NH2-OD2 3.4Å; R48-D329 PolarHBondContact NH2-OD2 3.47Å |
| 49 | A | 76.9 | Confident | 84.3 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -84.8 | 152.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N46 E53 | N46-A49 HydrophobicContact CB-CB 3.64Å; N46-A49 PolarHBondContact O-N 3.04Å; A49-E53 HydrophobicContact CB-CB 3.77Å; A49-E53 VanDerWaalsContact CB-CD 3.44Å; A49-E53 HydrophobicContact CB-CG 4.18Å; A49-E53 WeakPolarHBondContact CB-OE2 3.23Å |
| 50 | P | 75.9 | Confident | 84.7 | Confident | 73 Ų | 73 | 56.8 Ų | 56.8 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | trans | -67.3 | 153.7 | 163.5 | 31.7 | -35.2 | 0 | 0 | 0 | 110.7 | S52 E53 | P50-S52 PolarHBondContact O-N 2.97Å; P50-E53 HydrophobicContact CG-CB 4.42Å; P50-E53 PolarHBondContact O-N 2.81Å | ||
| 51 | P | 70.4 | Confident | 84.8 | Confident | 146 Ų | 146 | 59.6 Ų | 59.6 | 95% | 0.948 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -7.3 | 177.9 | -25 | 35.1 | 0 | 0 | 0 | 115.9 | ||
| 52 | S | 67.8 | Low | 84.9 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 74% | 0.741 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.5 | 174.7 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | P50 | P50-S52 PolarHBondContact O-N 2.97Š|
| 53 | E | 70.7 | Confident | 84.9 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -76.1 | 125.9 | 173.9 | -167.5 | 176.4 | 121 | 0 | 0 | 109.7 | N46 A49 P50 | N46-E53 PolarHBondContact ND2-OE1 3.27Å; A49-E53 HydrophobicContact CB-CB 3.77Å; A49-E53 VanDerWaalsContact CB-CD 3.44Å; A49-E53 HydrophobicContact CB-CG 4.18Å; A49-E53 WeakPolarHBondContact CB-OE2 3.23Å; P50-E53 HydrophobicContact CG-CB 4.42Å; P50-E53 PolarHBondContact O-N 2.81Å |
| 54 | P | 72.8 | Confident | 85.1 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 138.6 | 178.4 | 26.9 | -33.2 | 0 | 0 | 0 | 111.2 | C552 | P54-C552 WeakPolarHBondContact CG-SG 3.4Š|
| 55 | Q | 82.5 | Confident | 85.1 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 142.7 | 176.1 | -66.3 | 178.5 | -14.5 | 0 | 0 | 111 | I43 | I43-Q55 HydrophobicContact CG2-CB 3.85Å; I43-Q55 VanDerWaalsContact CG2-OE1 3.28Å |
| 56 | K | 86.5 | Confident | 85.2 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 15% | 0.148 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.3 | -176.2 | -64.3 | 173.9 | -170.7 | 170.2 | 0 | 109 | L44 F58 Y328 L332 D559 | L44-K56 HydrophobicContact CB-CB 4.47Å; L44-K56 PolarHBondContact N-O 3.37Å; L44-K56 PolarHBondContact O-N 3.45Å; K56-F58 HydrophobicContact CB-CE2 3.92Å; K56-F58 HydrophobicContact CB-CZ 4.44Å; K56-Y328 PolarHBondContact NZ-OH 3.49Å; K56-L332 HydrophobicContact CD-CD1 3.98Å; K56-D559 WeakPolarHBondContact CE-OD2 3.3Å; K56-D559 IonicContact NZ-OD1 2.77Å; K56-D559 IonicContact NZ-OD2 3.61Å; K56-D559 PolarHBondContact NZ-OD2 2.88Å |
| 57 | T | 90.3 | Very high | 85.4 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.1 | -178.9 | -54 | 0 | 0 | 0 | 0 | 110.1 | Q41 V42 I43 | Q41-T57 HydrophobicContact CB-CG2 4.18Å; Q41-T57 HydrophobicContact CG-CG2 4.33Å; V42-T57 WeakPolarHBondContact O-CA 3.31Å; I43-T57 HydrophobicContact CG1-CG2 4.05Å |
| 58 | F | 93.1 | Very high | 85.8 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.1 | 179 | -60.1 | -92.5 | 0 | 0 | 0 | 109.7 | Q41 V42 K56 F60 L332 L335 N339 | Q41-F58 CarbonylContact C-O 3.54Å; Q41-F58 VanDerWaalsContact CA-O 3.28Å; Q41-F58 WeakPolarHBondContact CA-O 3.47Å; V42-F58 PolarHBondContact N-O 3.06Å; V42-F58 PolarHBondContact O-N 2.73Å; K56-F58 HydrophobicContact CB-CE2 3.92Å; K56-F58 HydrophobicContact CB-CZ 4.44Å; F58-F60 HydrophobicContact CB-CD2 4.32Å; F58-F60 HydrophobicContact CB-CE2 3.38Å; F58-F60 HydrophobicContact CB-CZ 3.74Å; F58-F60 HydrophobicContact CG-CE2 4.44Å; F58-F60 HydrophobicContact CG-CZ 4.47Å; F58-L332 HydrophobicContact CE2-CD1 4.35Å; F58-L332 HydrophobicContact CZ-CD1 3.91Å; F58-L335 HydrophobicContact CB-CD2 4.42Å; F58-L335 HydrophobicContact CD1-CB 4.44Å; F58-L335 HydrophobicContact CD2-CB 4.06Å; F58-L335 HydrophobicContact CD2-CD1 3.96Å; F58-L335 HydrophobicContact CD2-CD2 4.29Å; F58-L335 HydrophobicContact CD2-CG 4.35Å; F58-L335 HydrophobicContact CE1-CB 4.35Å; F58-L335 HydrophobicContact CE2-CB 3.96Å; F58-L335 HydrophobicContact CE2-CD1 4.01Å; F58-L335 HydrophobicContact CG-CB 4.31Å; F58-L335 HydrophobicContact CG-CD2 4.41Å; F58-L335 HydrophobicContact CZ-CB 4.11Å; F58-N339 HydrophobicContact CD1-CB 4.14Å |
| 59 | T | 93.7 | Very high | 86.3 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.7 | -178 | -46 | 0 | 0 | 0 | 0 | 111.2 | G40 Q41 K342 Q513 | G40-T59 WeakPolarHBondContact O-CA 3.42Å; Q41-T59 HydrophobicContact CG-CG2 4.08Å; T59-K342 PolarHBondContact O-NZ 2.92Å; T59-Q513 HydrophobicContact CG2-CG 4.24Å |
| 60 | F | 95.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | trans | -136.2 | 171 | -171.6 | -62 | -79.1 | 0 | 0 | 0 | 112 | V12 V14 G40 V42 F58 A62 V63 L335 A338 N339 Q513 | V12-F60 HydrophobicContact CB-CD1 4.24Å; V12-F60 HydrophobicContact CG1-CD1 3.77Å; V12-F60 HydrophobicContact CG1-CE1 4.06Å; V12-F60 WeakPolarHBondContact O-CB 3.43Å; V14-F60 HydrophobicContact CB-CD2 4.44Å; V14-F60 HydrophobicContact CG2-CB 4.3Å; V14-F60 HydrophobicContact CG2-CD1 3.83Å; V14-F60 HydrophobicContact CG2-CD2 3.41Å; V14-F60 VanDerWaalsContact CG2-CD2 3.41Å; V14-F60 HydrophobicContact CG2-CE1 3.92Å; V14-F60 HydrophobicContact CG2-CE2 3.48Å; V14-F60 VanDerWaalsContact CG2-CE2 3.48Å; V14-F60 HydrophobicContact CG2-CG 3.57Å; V14-F60 HydrophobicContact CG2-CZ 3.75Å; G40-F60 PolarHBondContact O-N 2.74Å; V42-F60 HydrophobicContact CB-CE2 4.37Å; V42-F60 HydrophobicContact CG2-CD2 3.93Å; V42-F60 HydrophobicContact CG2-CE2 3.9Å; F58-F60 HydrophobicContact CB-CD2 4.32Å; F58-F60 HydrophobicContact CB-CE2 3.38Å; F58-F60 HydrophobicContact CB-CZ 3.74Å; F58-F60 HydrophobicContact CG-CE2 4.44Å; F58-F60 HydrophobicContact CG-CZ 4.47Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 3.26Å; F60-V63 HydrophobicContact CB-CG1 4.32Å; F60-V63 HydrophobicContact CD2-CG1 4.26Å; F60-L335 HydrophobicContact CE2-CD2 3.62Å; F60-L335 HydrophobicContact CZ-CD2 3.7Å; F60-A338 HydrophobicContact CE1-CB 3.68Å; F60-A338 HydrophobicContact CZ-CB 4.16Å; F60-N339 HydrophobicContact CE1-CB 4.28Å; F60-N339 HydrophobicContact CZ-CB 4.42Å; F60-Q513 PolarHBondContact O-NE2 3.01Å | ||
| 61 | D | 94.5 | Very high | 87.8 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -62 | -38.7 | 178.2 | -58.4 | -102.9 | 0 | 0 | 0 | 112 | V12 V13 R509 | V12-D61 PolarHBondContact N-OD2 2.95Å; V12-D61 PolarHBondContact O-N 3.25Å; V12-D61 VanDerWaalsContact O-OD2 3.14Å; V13-D61 HydrophobicContact CG1-CB 4.3Å; D61-R509 WeakPolarHBondContact O-CD 3.42Å; D61-R509 PolarHBondContact O-NH1 2.75Å |
| 62 | A | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 156.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V13 V14 F60 Y64 | V13-A62 VanDerWaalsContact CA-O 3.29Å; V13-A62 WeakPolarHBondContact CA-O 3.3Å; V13-A62 HydrophobicContact CB-CB 4.23Å; V13-A62 HydrophobicContact CG1-CB 3.74Å; V14-A62 PolarHBondContact N-O 2.91Å; V14-A62 VanDerWaalsContact N-O 3.12Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 3.26Å; A62-Y64 HydrophobicContact CB-CE2 3.94Å |
| 63 | V | 96.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.2 | 170.9 | -57 | 0 | 0 | 0 | 0 | 109.6 | V14 M35 D36 L37 G40 V42 F60 | V14-V63 HydrophobicContact CB-CG1 4.33Å; V14-V63 CarbonylContact O-C 3.54Å; V14-V63 VanDerWaalsContact O-CA 3.3Å; V14-V63 WeakPolarHBondContact O-CA 3.22Å; M35-V63 HydrophobicContact CB-CG2 4.24Å; M35-V63 HydrophobicContact CE-CB 4.34Å; M35-V63 HydrophobicContact CG-CG2 4.49Å; M35-V63 HydrophobicContact SD-CB 4.38Å; D36-V63 VanDerWaalsContact O-CG2 3.31Å; D36-V63 WeakPolarHBondContact O-CG2 3.25Å; L37-V63 HydrophobicContact CD2-CG2 4.3Å; L37-V63 WeakPolarHBondContact CD2-O 3.42Å; G40-V63 VanDerWaalsContact C-CG1 3.47Å; G40-V63 WeakPolarHBondContact O-CG1 3.39Å; V42-V63 HydrophobicContact CG2-CB 4.33Å; V42-V63 HydrophobicContact CG2-CG1 3.57Å; F60-V63 HydrophobicContact CB-CG1 4.32Å; F60-V63 HydrophobicContact CD2-CG1 4.26Å |
| 64 | Y | 95.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 41 Ų | 41 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 119.3 | -175.1 | -60.7 | -72.8 | 0 | 0 | 0 | 109.2 | V13 V14 R15 C16 M35 A62 L73 S77 | V13-Y64 HydrophobicContact CB-CD2 4.47Å; V13-Y64 HydrophobicContact CB-CE2 3.96Å; V13-Y64 HydrophobicContact CG1-CE2 4.49Å; V13-Y64 HydrophobicContact CG2-CE2 4.11Å; V14-Y64 PolarHBondContact O-N 2.8Å; R15-Y64 CarbonylContact C-O 3.53Å; R15-Y64 VanDerWaalsContact CA-O 3.3Å; R15-Y64 WeakPolarHBondContact CA-O 3.44Å; C16-Y64 PolarHBondContact N-O 2.78Å; M35-Y64 VanDerWaalsContact SD-O 3.34Å; A62-Y64 HydrophobicContact CB-CE2 3.94Å; Y64-L73 HydrophobicContact CD1-CB 4.28Å; Y64-L73 HydrophobicContact CD2-CB 4.33Å; Y64-L73 HydrophobicContact CD2-CD1 3.75Å; Y64-L73 HydrophobicContact CD2-CG 4.06Å; Y64-L73 HydrophobicContact CE1-CB 4.06Å; Y64-L73 HydrophobicContact CE2-CB 4.11Å; Y64-L73 HydrophobicContact CE2-CD1 4Å; Y64-L73 HydrophobicContact CE2-CG 3.8Å; Y64-L73 HydrophobicContact CG-CB 4.41Å; Y64-L73 HydrophobicContact CG-CD1 4.23Å; Y64-S77 PolarHBondContact OH-OG 3.45Å |
| 65 | D | 92.9 | Very high | 92.1 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | trans | -90.1 | -169.6 | -177.2 | 80.6 | -25.8 | 0 | 0 | 0 | 112.3 | C16 M35 L37 S67 S68 | C16-D65 CarbonylContact O-C 3.56Å; C16-D65 VanDerWaalsContact O-C 3.23Å; M35-D65 HydrophobicContact SD-CB 4.2Å; L37-D65 HydrophobicContact CD2-CB 4.33Å; D65-S67 VanDerWaalsContact CG-OG 3.28Å; D65-S67 PolarHBondContact O-N 3.28Å; D65-S67 WeakPolarHBondContact OD1-CA 3.32Å; D65-S67 PolarHBondContact OD1-N 2.72Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.48Å; D65-S68 PolarHBondContact N-OG 3.22Å; D65-S68 WeakPolarHBondContact O-CB 3.38Å; D65-S68 PolarHBondContact O-N 2.76Å; D65-S68 PolarHBondContact OD1-N 3.41Å; D65-S68 PolarHBondContact OD1-OG 3.48Å | ||
| 66 | S | 88.6 | Confident | 92.5 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 55% | 0.552 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.7 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | C16 | C16-S66 PolarHBondContact O-N 2.83Š|
| 67 | S | 89.9 | Confident | 92.8 | Very high | 89 Ų | 89 | 34.9 Ų | 34.9 | 62% | 0.622 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -18.9 | 176.4 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | D65 K69 | D65-S67 VanDerWaalsContact CG-OG 3.28Å; D65-S67 PolarHBondContact O-N 3.28Å; D65-S67 WeakPolarHBondContact OD1-CA 3.32Å; D65-S67 PolarHBondContact OD1-N 2.72Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.48Å; S67-K69 PolarHBondContact O-N 3.27Å |
| 68 | S | 91.9 | Very high | 93 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | trans | -70.2 | 122.2 | -173.6 | -58.4 | 0 | 0 | 0 | 0 | 113 | D65 | D65-S68 PolarHBondContact N-OG 3.22Å; D65-S68 WeakPolarHBondContact O-CB 3.38Å; D65-S68 PolarHBondContact O-N 2.76Å; D65-S68 PolarHBondContact OD1-N 3.41Å; D65-S68 PolarHBondContact OD1-OG 3.48Å | ||
| 69 | K | 92.3 | Very high | 93.1 | Very high | 100 Ų | 100 | 31 Ų | 31 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | trans | -74.2 | 167.1 | -178.4 | -58.5 | -170 | 170.6 | -163.3 | 0 | 112 | S67 R71 D72 E115 | S67-K69 PolarHBondContact O-N 3.27Å; K69-R71 VanDerWaalsContact C-N 3.3Å; K69-R71 PolarHBondContact O-N 3.17Å; K69-D72 WeakPolarHBondContact CA-OD2 3.09Å; K69-D72 VanDerWaalsContact CB-OD2 3.3Å; K69-D72 WeakPolarHBondContact CB-OD2 3.17Å; K69-D72 PolarHBondContact N-OD2 2.8Å; K69-E115 IonicContact NZ-OE1 3.81Å; K69-E115 PolarHBondContact NZ-OE1 2.93Å; K69-E115 IonicContact NZ-OE2 2.65Å | ||
| 70 | Q | 93.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 171.9 | -58.9 | -74.4 | 53.8 | 0 | 0 | 111.8 | D72 L73 Y74 Y105 K116 Q117 | Q70-D72 PolarHBondContact O-N 2.99Å; Q70-L73 PolarHBondContact O-N 3.47Å; Q70-Y74 PolarHBondContact O-N 2.88Å; Q70-Y105 PolarHBondContact NE2-O 3.34Å; Q70-K116 PolarHBondContact NE2-O 3.24Å; Q70-Q117 WeakPolarHBondContact CB-O 3.48Å; Q70-Q117 VanDerWaalsContact CG-O 3.28Å; Q70-Q117 WeakPolarHBondContact CG-O 3.37Å |
| 71 | R | 90.7 | Very high | 93.1 | Very high | 58 Ų | 58 | 31 Ų | 31 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.5 | -32.4 | -173.2 | -165.4 | 65.6 | -176.9 | -146.8 | -4.3 | 112.4 | K69 Y74 D75 N122 | K69-R71 VanDerWaalsContact C-N 3.3Å; K69-R71 PolarHBondContact O-N 3.17Å; R71-Y74 PolarHBondContact O-N 2.85Å; R71-D75 WeakPolarHBondContact CG-OD2 3.27Å; R71-D75 IonicContact CZ-OD1 2.73Å; R71-D75 IonicContact CZ-OD2 3.15Å; R71-D75 IonicContact NE-OD1 2.59Å; R71-D75 PolarHBondContact NE-OD1 3.03Å; R71-D75 IonicContact NE-OD2 3.69Å; R71-D75 PolarHBondContact NE-OD2 2.82Å; R71-D75 IonicContact NH2-OD1 3.85Å; R71-D75 IonicContact NH2-OD2 3.79Å; R71-D75 WeakPolarHBondContact O-CB 3.49Å; R71-D75 PolarHBondContact O-N 3.13Å; R71-N122 WeakPolarHBondContact CD-OD1 3.38Å; R71-N122 PolarHBondContact NH1-OD1 2.92Å |
| 72 | D | 90.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 28.1 Ų | 28.1 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.1 | -52.6 | 176.6 | -45.1 | -21.1 | 0 | 0 | 0 | 109.8 | K69 Q70 Y74 E76 | K69-D72 WeakPolarHBondContact CA-OD2 3.09Å; K69-D72 VanDerWaalsContact CB-OD2 3.3Å; K69-D72 WeakPolarHBondContact CB-OD2 3.17Å; K69-D72 PolarHBondContact N-OD2 2.8Å; Q70-D72 PolarHBondContact O-N 2.99Å; D72-Y74 VanDerWaalsContact C-N 3.27Å; D72-Y74 PolarHBondContact O-N 3.33Å; D72-E76 VanDerWaalsContact O-CB 3.25Å; D72-E76 WeakPolarHBondContact O-CB 3.22Å; D72-E76 PolarHBondContact O-N 2.9Å |
| 73 | L | 93.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -38.7 | 174.1 | -177.9 | 156.1 | 0 | 0 | 0 | 112.3 | Y64 Q70 S77 V78 T106 V119 V318 | Y64-L73 HydrophobicContact CD1-CB 4.28Å; Y64-L73 HydrophobicContact CD2-CB 4.33Å; Y64-L73 HydrophobicContact CD2-CD1 3.75Å; Y64-L73 HydrophobicContact CD2-CG 4.06Å; Y64-L73 HydrophobicContact CE1-CB 4.06Å; Y64-L73 HydrophobicContact CE2-CB 4.11Å; Y64-L73 HydrophobicContact CE2-CD1 4Å; Y64-L73 HydrophobicContact CE2-CG 3.8Å; Y64-L73 HydrophobicContact CG-CB 4.41Å; Y64-L73 HydrophobicContact CG-CD1 4.23Å; Q70-L73 PolarHBondContact O-N 3.47Å; L73-S77 WeakPolarHBondContact O-CB 3.22Å; L73-S77 PolarHBondContact O-N 3.35Å; L73-S77 VanDerWaalsContact O-N 3.12Å; L73-V78 HydrophobicContact CD2-CG2 4.21Å; L73-T106 HydrophobicContact CD1-CG2 3.9Å; L73-T106 HydrophobicContact CD2-CG2 4.15Å; L73-V119 HydrophobicContact CD2-CG2 3.86Å; L73-V318 HydrophobicContact CD1-CG1 4.34Å |
| 74 | Y | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -67.7 | -56.7 | 179.3 | -174.3 | -87.8 | 0 | 0 | 0 | 112.6 | Q70 R71 D72 E76 V78 R79 N122 A123 H126 | Q70-Y74 PolarHBondContact O-N 2.88Å; R71-Y74 PolarHBondContact O-N 2.85Å; D72-Y74 VanDerWaalsContact C-N 3.27Å; D72-Y74 PolarHBondContact O-N 3.33Å; Y74-E76 VanDerWaalsContact C-N 3.34Å; Y74-E76 PolarHBondContact O-N 3.41Å; Y74-V78 HydrophobicContact CD2-CB 3.93Å; Y74-V78 HydrophobicContact CD2-CG1 3.62Å; Y74-V78 HydrophobicContact CE2-CB 4.17Å; Y74-V78 HydrophobicContact CE2-CG1 3.37Å; Y74-V78 HydrophobicContact CG-CB 4.42Å; Y74-V78 HydrophobicContact CG-CG1 4.46Å; Y74-V78 WeakPolarHBondContact O-CB 3.44Å; Y74-V78 PolarHBondContact O-N 2.83Å; Y74-R79 HydrophobicContact CE1-CB 4.15Å; Y74-R79 PolarHBondContact O-N 3.29Å; Y74-N122 HydrophobicContact CD1-CB 4.11Å; Y74-N122 HydrophobicContact CD2-CB 3.38Å; Y74-N122 HydrophobicContact CE1-CB 4.19Å; Y74-N122 HydrophobicContact CE2-CB 3.43Å; Y74-N122 VanDerWaalsContact CE2-CB 3.43Å; Y74-N122 HydrophobicContact CG-CB 3.74Å; Y74-N122 PolarHBondContact OH-O 2.89Å; Y74-A123 HydrophobicContact CE2-CB 4.33Å; Y74-A123 WeakPolarHBondContact OH-CA 3.46Å; Y74-H126 HydrophobicContact CE1-CB 4.46Å; Y74-H126 WeakPolarHBondContact OH-CB 3.3Å; Y74-H126 PolarHBondContact OH-ND1 3.25Å |
| 75 | D | 91.8 | Very high | 93.1 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -70.6 | -28.3 | -174 | -76.9 | -31.8 | 0 | 0 | 0 | 112 | R71 R79 | R71-D75 WeakPolarHBondContact CG-OD2 3.27Å; R71-D75 IonicContact CZ-OD1 2.73Å; R71-D75 IonicContact CZ-OD2 3.15Å; R71-D75 IonicContact NE-OD1 2.59Å; R71-D75 PolarHBondContact NE-OD1 3.03Å; R71-D75 IonicContact NE-OD2 3.69Å; R71-D75 PolarHBondContact NE-OD2 2.82Å; R71-D75 IonicContact NH2-OD1 3.85Å; R71-D75 IonicContact NH2-OD2 3.79Å; R71-D75 WeakPolarHBondContact O-CB 3.49Å; R71-D75 PolarHBondContact O-N 3.13Å; D75-R79 IonicContact OD1-CZ 3.65Å; D75-R79 IonicContact OD1-NE 2.75Å; D75-R79 PolarHBondContact OD1-NE 3.38Å; D75-R79 IonicContact OD1-NH2 3.68Å; D75-R79 PolarHBondContact OD1-NH2 3.3Å |
| 76 | E | 90.8 | Very high | 93.2 | Very high | 25 Ų | 25 | 30 Ų | 30 | 12% | 0.117 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -82.8 | -48.2 | 176.9 | -174.9 | 179.8 | 153.8 | 0 | 0 | 114 | D72 Y74 A502 R509 | D72-E76 VanDerWaalsContact O-CB 3.25Å; D72-E76 WeakPolarHBondContact O-CB 3.22Å; D72-E76 PolarHBondContact O-N 2.9Å; Y74-E76 VanDerWaalsContact C-N 3.34Å; Y74-E76 PolarHBondContact O-N 3.41Å; E76-A502 HydrophobicContact CB-CB 4.37Å; E76-R509 IonicContact OE1-CZ 3.8Å; E76-R509 VanDerWaalsContact OE1-CZ 3.23Å; E76-R509 IonicContact OE1-NH1 3.7Å; E76-R509 PolarHBondContact OE1-NH1 3.01Å; E76-R509 IonicContact OE1-NH2 3.88Å; E76-R509 PolarHBondContact OE1-NH2 2.86Å; E76-R509 IonicContact OE2-NH2 3.44Å |
| 77 | S | 92.1 | Very high | 93.3 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -110.4 | -27.1 | -168 | -64.4 | 0 | 0 | 0 | 0 | 115.4 | Y64 L73 | Y64-S77 PolarHBondContact OH-OG 3.45Å; L73-S77 WeakPolarHBondContact O-CB 3.22Å; L73-S77 PolarHBondContact O-N 3.35Å; L73-S77 VanDerWaalsContact O-N 3.12Å |
| 78 | V | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | I | π-helix | trans | -95.9 | -47.3 | -176.1 | 165.2 | 0 | 0 | 0 | 0 | 112.2 | L73 Y74 L81 I82 I93 V119 | L73-V78 HydrophobicContact CD2-CG2 4.21Å; Y74-V78 HydrophobicContact CD2-CB 3.93Å; Y74-V78 HydrophobicContact CD2-CG1 3.62Å; Y74-V78 HydrophobicContact CE2-CB 4.17Å; Y74-V78 HydrophobicContact CE2-CG1 3.37Å; Y74-V78 HydrophobicContact CG-CB 4.42Å; Y74-V78 HydrophobicContact CG-CG1 4.46Å; Y74-V78 WeakPolarHBondContact O-CB 3.44Å; Y74-V78 PolarHBondContact O-N 2.83Å; V78-L81 WeakPolarHBondContact O-CA 3.3Å; V78-L81 WeakPolarHBondContact O-CB 3.2Å; V78-L81 PolarHBondContact O-N 3.38Å; V78-I82 HydrophobicContact CG1-CD1 4.05Å; V78-I82 HydrophobicContact CG1-CG1 3.72Å; V78-I82 PolarHBondContact O-N 3.25Å; V78-I93 HydrophobicContact CB-CD1 4.34Å; V78-I93 HydrophobicContact CG1-CD1 3.6Å; V78-I93 HydrophobicContact CG2-CD1 4.05Å; V78-V119 HydrophobicContact CG1-CG1 4.12Å; V78-V119 HydrophobicContact CG2-CG1 4.15Å; V78-V119 HydrophobicContact CG2-CG2 3.98Å |
| 79 | R | 94.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -47.1 | -49.3 | -174.2 | 167.9 | 178.1 | -62.8 | -99 | 12.2 | 113.4 | Y74 D75 L81 I82 D83 H126 E495 Q499 | Y74-R79 HydrophobicContact CE1-CB 4.15Å; Y74-R79 PolarHBondContact O-N 3.29Å; D75-R79 IonicContact OD1-CZ 3.65Å; D75-R79 IonicContact OD1-NE 2.75Å; D75-R79 PolarHBondContact OD1-NE 3.38Å; D75-R79 IonicContact OD1-NH2 3.68Å; D75-R79 PolarHBondContact OD1-NH2 3.3Å; R79-L81 PolarHBondContact O-N 3.42Å; R79-L81 VanDerWaalsContact O-N 3.12Å; R79-I82 WeakPolarHBondContact O-CA 3.16Å; R79-I82 WeakPolarHBondContact O-CB 3.48Å; R79-I82 PolarHBondContact O-N 3.19Å; R79-D83 VanDerWaalsContact CG-OD2 3.31Å; R79-D83 WeakPolarHBondContact CG-OD2 3.1Å; R79-D83 PolarHBondContact O-N 3.37Å; R79-H126 PolarHBondContact NH1-CD2 3.22Å; R79-H126 VanDerWaalsContact NH1-CD2 3.34Å; R79-H126 PolarHBondContact NH1-NE2 3.46Å; R79-E495 IonicContact CZ-OE1 3.25Å; R79-E495 IonicContact NH1-OE1 3.5Å; R79-E495 PolarHBondContact NH1-OE1 3.45Å; R79-E495 IonicContact NH2-OE1 2.69Å; R79-E495 PolarHBondContact NH2-OE1 3.44Å; R79-Q499 VanDerWaalsContact NH1-NE2 3.11Å |
| 80 | P | 93.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 21.4 Ų | 21.4 | 27% | 0.273 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62.3 | -22.3 | 179.5 | -23.9 | 35.3 | 0 | 0 | 0 | 115.2 | S84 | P80-S84 PolarHBondContact O-N 3.1Å; P80-S84 PolarHBondContact O-OG 2.66Å |
| 81 | L | 96.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -78.2 | -40.1 | 171.6 | -177.3 | 153.3 | 0 | 0 | 0 | 110.8 | V78 R79 S84 V85 T92 I93 L245 K314 V316 | V78-L81 WeakPolarHBondContact O-CA 3.3Å; V78-L81 WeakPolarHBondContact O-CB 3.2Å; V78-L81 PolarHBondContact O-N 3.38Å; R79-L81 PolarHBondContact O-N 3.42Å; R79-L81 VanDerWaalsContact O-N 3.12Å; L81-S84 WeakPolarHBondContact O-CB 3.34Å; L81-S84 PolarHBondContact O-N 2.78Å; L81-S84 VanDerWaalsContact O-N 3.16Å; L81-V85 HydrophobicContact CD2-CG2 4.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.45Å; L81-V85 PolarHBondContact O-N 2.66Å; L81-T92 WeakPolarHBondContact CD1-O 3.24Å; L81-I93 HydrophobicContact CD1-CG1 4.11Å; L81-I93 HydrophobicContact CD2-CD1 4.09Å; L81-I93 HydrophobicContact CD2-CG1 3.94Å; L81-L245 HydrophobicContact CD2-CD1 3.68Å; L81-K314 HydrophobicContact CD1-CB 4.32Å; L81-K314 HydrophobicContact CG-CB 4.46Å; L81-V316 HydrophobicContact CD1-CB 4.27Å; L81-V316 HydrophobicContact CD1-CG2 3.73Å |
| 82 | I | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.6 | -50.7 | -60.5 | 0 | 0 | 0 | 110.7 | V78 R79 S84 V85 L86 I93 A123 H126 I127 L245 | V78-I82 HydrophobicContact CG1-CD1 4.05Å; V78-I82 HydrophobicContact CG1-CG1 3.72Å; V78-I82 PolarHBondContact O-N 3.25Å; R79-I82 WeakPolarHBondContact O-CA 3.16Å; R79-I82 WeakPolarHBondContact O-CB 3.48Å; R79-I82 PolarHBondContact O-N 3.19Å; I82-S84 VanDerWaalsContact C-N 3.25Å; I82-S84 PolarHBondContact O-N 2.98Å; I82-V85 PolarHBondContact O-N 2.95Å; I82-V85 VanDerWaalsContact O-N 3.08Å; I82-L86 HydrophobicContact CG2-CD1 4.12Å; I82-L86 WeakPolarHBondContact O-CG 3.36Å; I82-L86 PolarHBondContact O-N 3.15Å; I82-I93 HydrophobicContact CD1-CD1 4.19Å; I82-A123 HydrophobicContact CD1-CB 3.96Å; I82-H126 WeakPolarHBondContact CG2-ND1 3.32Å; I82-I127 HydrophobicContact CG2-CD1 4.38Å; I82-I127 HydrophobicContact CG2-CG1 3.81Å; I82-L245 HydrophobicContact CD1-CD1 4Å; I82-L245 HydrophobicContact CD1-CD2 3.46Å; I82-L245 VanDerWaalsContact CD1-CD2 3.46Å; I82-L245 HydrophobicContact CD1-CG 4.4Å |
| 83 | D | 94.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 14.8 Ų | 14.8 | 33% | 0.326 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -57.9 | -39.1 | 172.1 | -63.3 | -47.5 | 0 | 0 | 0 | 111.7 | R79 L86 A87 H126 | R79-D83 VanDerWaalsContact CG-OD2 3.31Å; R79-D83 WeakPolarHBondContact CG-OD2 3.1Å; R79-D83 PolarHBondContact O-N 3.37Å; D83-L86 PolarHBondContact O-N 3.45Å; D83-A87 WeakPolarHBondContact O-CB 2.99Å; D83-A87 PolarHBondContact O-N 3.47Å; D83-H126 IonicContact OD1-CE1 3.6Å; D83-H126 PolarHBondContact OD1-CE1 2.69Å; D83-H126 IonicContact OD1-NE2 2.66Å; D83-H126 PolarHBondContact OD1-NE2 3.26Å |
| 84 | S | 95.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 14.8 Ų | 14.8 | 12% | 0.119 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.5 | -39 | 174.9 | -60.6 | 0 | 0 | 0 | 0 | 112 | P80 L81 I82 A87 G88 F89 K314 | P80-S84 PolarHBondContact O-N 3.1Å; P80-S84 PolarHBondContact O-OG 2.66Å; L81-S84 WeakPolarHBondContact O-CB 3.34Å; L81-S84 PolarHBondContact O-N 2.78Å; L81-S84 VanDerWaalsContact O-N 3.16Å; I82-S84 VanDerWaalsContact C-N 3.25Å; I82-S84 PolarHBondContact O-N 2.98Å; S84-A87 CarbonylContact O-C 3.59Å; S84-A87 PolarHBondContact O-N 3.1Å; S84-G88 PolarHBondContact O-N 2.95Å; S84-F89 WeakPolarHBondContact O-CB 3.46Å; S84-F89 WeakPolarHBondContact O-CD2 3.33Å; S84-F89 PolarHBondContact O-N 3.49Å; S84-K314 WeakPolarHBondContact OG-CD 3.29Å; S84-K314 WeakPolarHBondContact OG-CE 3.44Å; S84-K314 PolarHBondContact OG-NZ 3.2Å |
| 85 | V | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L81 I82 A87 G88 F89 G243 L245 | L81-V85 HydrophobicContact CD2-CG2 4.25Å; L81-V85 WeakPolarHBondContact O-CG2 3.45Å; L81-V85 PolarHBondContact O-N 2.66Å; I82-V85 PolarHBondContact O-N 2.95Å; I82-V85 VanDerWaalsContact O-N 3.08Å; V85-A87 PolarHBondContact O-N 2.65Å; V85-G88 WeakPolarHBondContact O-CA 3.12Å; V85-G88 PolarHBondContact O-N 3.32Å; V85-F89 WeakPolarHBondContact CA-O 3.49Å; V85-G243 WeakPolarHBondContact O-CA 3.44Å; V85-L245 HydrophobicContact CG1-CB 4.05Å; V85-L245 HydrophobicContact CG2-CB 4.1Å; V85-L245 HydrophobicContact CG2-CD1 4.41Å |
| 86 | L | 93.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 14.8 Ų | 14.8 | 5% | 0.047 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63 | -25.8 | 175.5 | -69.3 | 163.4 | 0 | 0 | 0 | 112.7 | I82 D83 G88 I127 H130 V227 | I82-L86 HydrophobicContact CG2-CD1 4.12Å; I82-L86 WeakPolarHBondContact O-CG 3.36Å; I82-L86 PolarHBondContact O-N 3.15Å; D83-L86 PolarHBondContact O-N 3.45Å; L86-G88 VanDerWaalsContact C-N 3.34Å; L86-I127 HydrophobicContact CD2-CG1 4.35Å; L86-I127 HydrophobicContact CD2-CG2 4.32Å; L86-H130 HydrophobicContact CD1-CB 3.75Å; L86-H130 HydrophobicContact CD2-CB 4.4Å; L86-V227 HydrophobicContact CD2-CG1 4.39Å |
| 87 | A | 91.7 | Very high | 95 | Very high | 46 Ų | 46 | 13.6 Ų | 13.6 | 38% | 0.38 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D83 S84 V85 F89 | D83-A87 WeakPolarHBondContact O-CB 2.99Å; D83-A87 PolarHBondContact O-N 3.47Å; S84-A87 CarbonylContact O-C 3.59Å; S84-A87 PolarHBondContact O-N 3.1Å; V85-A87 PolarHBondContact O-N 2.65Å; A87-F89 HydrophobicContact CB-CD2 4.43Å |
| 88 | G | 92.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | 16.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S84 V85 L86 V350 N351 | S84-G88 PolarHBondContact O-N 2.95Å; V85-G88 WeakPolarHBondContact O-CA 3.12Å; V85-G88 PolarHBondContact O-N 3.32Å; L86-G88 VanDerWaalsContact C-N 3.34Å; G88-V350 CarbonylContact O-C 3.53Å; G88-V350 WeakPolarHBondContact O-CA 3.29Å; G88-N351 PolarHBondContact O-N 2.78Å; G88-N351 PolarHBondContact O-ND2 2.81Å |
| 89 | F | 94.4 | Very high | 94.6 | Very high | 46 Ų | 46 | 15.6 Ų | 15.6 | 20% | 0.202 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 158.8 | 168.9 | -70 | -95.4 | 0 | 0 | 0 | 111.4 | S84 V85 A87 G243 P348 R349 V350 | S84-F89 WeakPolarHBondContact O-CB 3.46Å; S84-F89 WeakPolarHBondContact O-CD2 3.33Å; S84-F89 PolarHBondContact O-N 3.49Å; V85-F89 WeakPolarHBondContact CA-O 3.49Å; A87-F89 HydrophobicContact CB-CD2 4.43Å; F89-G243 WeakPolarHBondContact O-CA 3.43Å; F89-P348 HydrophobicContact CD1-CB 3.95Å; F89-P348 HydrophobicContact CE1-CB 4.24Å; F89-R349 WeakPolarHBondContact CD1-O 3.26Å; F89-V350 HydrophobicContact CD2-CG2 3.95Å; F89-V350 HydrophobicContact CE1-CG2 4.16Å; F89-V350 HydrophobicContact CE2-CG2 3.53Å; F89-V350 HydrophobicContact CG-CG2 4.44Å; F89-V350 HydrophobicContact CZ-CG2 3.65Å |
| 90 | N | 95.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 18 Ų | 18 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 142.8 | 158.8 | -60.3 | -35.1 | 0 | 0 | 0 | 110 | R244 N312 A313 K314 N351 | N90-R244 CarbonylContact C-O 3.59Å; N90-R244 WeakPolarHBondContact CA-O 3.37Å; N90-R244 WeakPolarHBondContact OD1-CB 3.48Å; N90-N312 VanDerWaalsContact CB-O 3.3Å; N90-N312 WeakPolarHBondContact CB-O 3.34Å; N90-N312 PolarHBondContact ND2-O 2.95Å; N90-A313 HydrophobicContact CB-CB 3.68Å; N90-A313 WeakPolarHBondContact O-CA 3.3Å; N90-K314 PolarHBondContact O-N 3Å; N90-N351 PolarHBondContact OD1-ND2 2.82Å |
| 91 | G | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 138.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R244 L245 N246 K314 | G91-R244 PolarHBondContact N-O 2.84Å; G91-L245 CarbonylContact O-C 3.59Å; G91-L245 VanDerWaalsContact O-CA 3.27Å; G91-L245 WeakPolarHBondContact O-CA 3.1Å; G91-N246 PolarHBondContact O-N 3.49Å; G91-K314 CarbonylContact C-O 3.56Å; G91-K314 VanDerWaalsContact CA-O 3.31Å; G91-K314 WeakPolarHBondContact CA-O 3.48Å |
| 92 | T | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.9 | 176 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | L81 F94 N246 V248 L305 S308 K314 T315 V316 | L81-T92 WeakPolarHBondContact CD1-O 3.24Å; T92-F94 HydrophobicContact CG2-CD1 4.36Å; T92-N246 CarbonylContact C-O 3.58Å; T92-N246 WeakPolarHBondContact CA-O 3.29Å; T92-N246 HydrophobicContact CG2-CB 4.11Å; T92-N246 PolarHBondContact OG1-ND2 2.79Å; T92-V248 HydrophobicContact CG2-CG2 4.42Å; T92-L305 HydrophobicContact CG2-CD2 4.24Å; T92-S308 WeakPolarHBondContact CB-OG 3.26Å; T92-S308 PolarHBondContact OG1-OG 2.9Å; T92-K314 PolarHBondContact N-O 2.66Å; T92-T315 HydrophobicContact CG2-CG2 4.28Å; T92-T315 CarbonylContact O-C 3.53Å; T92-T315 VanDerWaalsContact O-CA 3.27Å; T92-T315 WeakPolarHBondContact O-CA 3.49Å; T92-V316 PolarHBondContact O-N 3.39Å |
| 93 | I | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.3 | 171.1 | -52.7 | 166.3 | 0 | 0 | 0 | 107.1 | V78 L81 I82 M107 V119 L245 N246 L247 V248 V316 V318 | V78-I93 HydrophobicContact CB-CD1 4.34Å; V78-I93 HydrophobicContact CG1-CD1 3.6Å; V78-I93 HydrophobicContact CG2-CD1 4.05Å; L81-I93 HydrophobicContact CD1-CG1 4.11Å; L81-I93 HydrophobicContact CD2-CD1 4.09Å; L81-I93 HydrophobicContact CD2-CG1 3.94Å; I82-I93 HydrophobicContact CD1-CD1 4.19Å; I93-M107 HydrophobicContact CG2-CE 4.41Å; I93-M107 HydrophobicContact CG2-SD 4.29Å; I93-V119 HydrophobicContact CD1-CG1 3.85Å; I93-V119 HydrophobicContact CG2-CG1 4.34Å; I93-L245 HydrophobicContact CD1-CD1 4.3Å; I93-N246 PolarHBondContact N-O 3.45Å; I93-L247 HydrophobicContact CB-CD2 4.38Å; I93-L247 HydrophobicContact CD1-CD2 3.96Å; I93-V248 PolarHBondContact O-N 2.81Å; I93-V316 WeakPolarHBondContact CA-O 3.48Å; I93-V316 HydrophobicContact CG1-CB 4.46Å; I93-V318 HydrophobicContact CG2-CG2 4.34Å |
| 94 | F | 97.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.4 | 177.9 | 70.6 | -90 | 0 | 0 | 0 | 112.5 | T92 V248 L250 I283 L309 T315 V316 M317 V318 | T92-F94 HydrophobicContact CG2-CD1 4.36Å; F94-V248 WeakPolarHBondContact CA-O 3.43Å; F94-V248 HydrophobicContact CB-CB 3.76Å; F94-V248 HydrophobicContact CB-CG1 4.3Å; F94-V248 HydrophobicContact CB-CG2 4.39Å; F94-L250 HydrophobicContact CD2-CD1 3.82Å; F94-I283 HydrophobicContact CZ-CD1 4.46Å; F94-L309 HydrophobicContact CE1-CD2 4.24Å; F94-L309 HydrophobicContact CZ-CD2 4.42Å; F94-T315 HydrophobicContact CD1-CG2 3.93Å; F94-T315 HydrophobicContact CE1-CG2 3.67Å; F94-V316 PolarHBondContact N-O 2.8Å; F94-V316 VanDerWaalsContact N-O 3.09Å; F94-M317 HydrophobicContact CD2-CG 4.2Å; F94-M317 HydrophobicContact CE1-CB 3.9Å; F94-M317 HydrophobicContact CE1-CG 4.38Å; F94-M317 HydrophobicContact CE2-CB 3.96Å; F94-M317 HydrophobicContact CE2-CE 4.34Å; F94-M317 HydrophobicContact CE2-CG 3.5Å; F94-M317 HydrophobicContact CE2-SD 3.93Å; F94-M317 HydrophobicContact CZ-CB 3.58Å; F94-M317 HydrophobicContact CZ-CG 3.61Å; F94-M317 HydrophobicContact CZ-SD 3.93Å; F94-V318 PolarHBondContact O-N 2.97Å |
| 95 | A | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | K103 M107 V248 L250 V318 | A95-K103 HydrophobicContact CB-CB 3.85Å; A95-K103 HydrophobicContact CB-CG 4.19Å; A95-M107 HydrophobicContact CB-CG 3.59Å; A95-M107 HydrophobicContact CB-SD 3.91Å; A95-V248 PolarHBondContact N-O 2.82Å; A95-L250 WeakPolarHBondContact O-CB 3.34Å; A95-L250 WeakPolarHBondContact O-CG 3.31Å; A95-L250 PolarHBondContact O-N 3.05Å; A95-V318 WeakPolarHBondContact CA-O 3.43Å |
| 96 | Y | 95.4 | Very high | 93.6 | Very high | 15 Ų | 15 | 20.2 Ų | 20.2 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.7 | -177.4 | 179.3 | -86.4 | 0 | 0 | 0 | 111 | L250 L276 M317 V318 T320 T334 Y337 | Y96-L250 HydrophobicContact CD2-CD1 3.87Å; Y96-L276 HydrophobicContact CE2-CD2 4.25Å; Y96-M317 HydrophobicContact CD1-CE 3.7Å; Y96-M317 HydrophobicContact CG-CE 3.87Å; Y96-V318 PolarHBondContact N-O 3Å; Y96-T320 PolarHBondContact O-N 2.94Å; Y96-T320 PolarHBondContact O-OG1 3.28Å; Y96-T334 HydrophobicContact CD1-CG2 4Å; Y96-T334 HydrophobicContact CE1-CG2 4.12Å; Y96-Y337 AromaticContact CD1-CD1 3.74Å; Y96-Y337 HydrophobicContact CD1-CD1 3.74Å; Y96-Y337 HydrophobicContact CD1-CE1 4.23Å; Y96-Y337 HydrophobicContact CD2-CD1 4.15Å; Y96-Y337 AromaticContact CD2-CE1 3.82Å; Y96-Y337 HydrophobicContact CD2-CE1 3.82Å; Y96-Y337 AromaticContact CE1-CD1 3.35Å; Y96-Y337 HydrophobicContact CE1-CD1 3.35Å; Y96-Y337 HydrophobicContact CE1-CE1 4Å; Y96-Y337 HydrophobicContact CE1-CG 4.16Å; Y96-Y337 AromaticContact CE2-CD1 3.76Å; Y96-Y337 HydrophobicContact CE2-CD1 3.76Å; Y96-Y337 AromaticContact CE2-CE1 3.51Å; Y96-Y337 HydrophobicContact CE2-CE1 3.51Å; Y96-Y337 HydrophobicContact CG-CD1 4.14Å; Y96-Y337 HydrophobicContact CG-CE1 4.16Å; Y96-Y337 AromaticContact CZ-CD1 3.34Å; Y96-Y337 AromaticContact CZ-CE1 3.62Å |
| 97 | G | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 137.3 | -179.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K103 S253 | G97-K103 PolarHBondContact O-NZ 3.38Å; G97-S253 WeakPolarHBondContact CA-OG 3.3Å; G97-S253 PolarHBondContact O-N 2.92Å; G97-S253 VanDerWaalsContact O-N 3.14Å; G97-S253 PolarHBondContact O-OG 3.3Å |
| 98 | Q | 89.7 | Confident | 93.7 | Very high | 25 Ų | 25 | 19.4 Ų | 19.4 | 12% | 0.117 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -64.3 | 155.6 | -177.3 | 173.2 | -172.9 | 11.6 | 0 | 0 | 112.1 | T101 K103 S253 E254 H327 E330 | Q98-T101 HydrophobicContact CB-CG2 3.68Å; Q98-T101 HydrophobicContact CG-CG2 4.34Å; Q98-T101 WeakPolarHBondContact O-CB 3.28Å; Q98-T101 WeakPolarHBondContact O-CG2 3.16Å; Q98-T101 PolarHBondContact O-N 3.19Å; Q98-T101 PolarHBondContact O-OG1 3Å; Q98-K103 PolarHBondContact O-NZ 3.03Å; Q98-S253 PolarHBondContact N-OG 2.95Å; Q98-S253 VanDerWaalsContact N-OG 3.12Å; Q98-E254 WeakPolarHBondContact CA-OE2 3.23Å; Q98-E254 HydrophobicContact CG-CB 4.22Å; Q98-E254 WeakPolarHBondContact CG-OE2 3.41Å; Q98-H327 PolarHBondContact NE2-ND1 2.92Å; Q98-H327 PolarHBondContact OE1-ND1 3.48Å; Q98-E330 HydrophobicContact CB-CB 4.24Å; Q98-E330 HydrophobicContact CG-CB 4.49Å; Q98-E330 HydrophobicContact CG-CG 4.46Å |
| 99 | T | 87.9 | Confident | 93.7 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 22% | 0.221 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 140.7 | 170.6 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | T101 S217 G252 E254 | T99-T101 PolarHBondContact O-N 2.82Å; T99-S217 WeakPolarHBondContact OG1-CB 3.2Å; T99-G252 WeakPolarHBondContact OG1-CA 3.42Å; T99-E254 WeakPolarHBondContact CB-OE1 3.38Å; T99-E254 PolarHBondContact N-OE2 3.3Å; T99-E254 PolarHBondContact OG1-OE1 3.2Å |
| 100 | G | 86.4 | Confident | 93.3 | Very high | 54 Ų | 54 | 22 Ų | 22 | 56% | 0.557 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | 8.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R17 | R17-G100 PolarHBondContact NE-O 3.3Å; R17-G100 PolarHBondContact NH2-O 3.25Å |
| 101 | T | 90.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -82.3 | -23.8 | 173 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | R17 Q98 T99 T320 | R17-T101 WeakPolarHBondContact CG-O 3.29Å; Q98-T101 HydrophobicContact CB-CG2 3.68Å; Q98-T101 HydrophobicContact CG-CG2 4.34Å; Q98-T101 WeakPolarHBondContact O-CB 3.28Å; Q98-T101 WeakPolarHBondContact O-CG2 3.16Å; Q98-T101 PolarHBondContact O-N 3.19Å; Q98-T101 PolarHBondContact O-OG1 3Å; T99-T101 PolarHBondContact O-N 2.82Å; T101-T320 WeakPolarHBondContact CB-O 3.35Å; T101-T320 PolarHBondContact OG1-O 3.5Å; T101-T320 PolarHBondContact OG1-OG1 3.32Å |
| 102 | G | 91.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 125.6 | 17.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y105 T106 | G102-Y105 PolarHBondContact O-N 2.91Å; G102-T106 WeakPolarHBondContact O-CB 3.23Å; G102-T106 PolarHBondContact O-N 3.2Å; G102-T106 PolarHBondContact O-OG1 3.47Å |
| 103 | K | 94 | Very high | 91.2 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.8 | -65.5 | 175.3 | -60 | -170.2 | -65.3 | -77.4 | 0 | 112.7 | A95 G97 Q98 Y105 T106 M107 D249 L250 A251 T320 | A95-K103 HydrophobicContact CB-CB 3.85Å; A95-K103 HydrophobicContact CB-CG 4.19Å; G97-K103 PolarHBondContact O-NZ 3.38Å; Q98-K103 PolarHBondContact O-NZ 3.03Å; K103-Y105 VanDerWaalsContact C-N 3.29Å; K103-Y105 PolarHBondContact O-N 2.96Å; K103-T106 WeakPolarHBondContact O-CA 3.48Å; K103-T106 WeakPolarHBondContact O-CB 3.37Å; K103-T106 PolarHBondContact O-N 3.47Å; K103-M107 PolarHBondContact O-N 2.91Å; K103-D249 WeakPolarHBondContact CB-OD1 3.32Å; K103-L250 WeakPolarHBondContact CE-O 3.44Å; K103-A251 WeakPolarHBondContact CE-O 3.47Å; K103-A251 PolarHBondContact NZ-O 3.15Å; K103-T320 WeakPolarHBondContact CG-OG1 3.35Å |
| 104 | T | 92.4 | Very high | 90.5 | Very high | 51 Ų | 51 | 40 Ų | 40 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -34 | 178 | -39.1 | 0 | 0 | 0 | 0 | 112.8 | T106 Q108 G109 D249 | T104-T106 VanDerWaalsContact C-N 3.27Å; T104-T106 PolarHBondContact O-N 2.86Å; T104-Q108 HydrophobicContact CG2-CB 4.33Å; T104-Q108 WeakPolarHBondContact O-CA 3.4Å; T104-Q108 WeakPolarHBondContact O-CB 3.21Å; T104-Q108 PolarHBondContact O-N 3.43Å; T104-G109 PolarHBondContact O-N 3.49Å; T104-G109 VanDerWaalsContact O-N 3.11Å; T104-D249 WeakPolarHBondContact CA-OD1 3.42Å; T104-D249 WeakPolarHBondContact CA-OD2 3.48Å; T104-D249 VanDerWaalsContact CB-OD2 3.27Å; T104-D249 WeakPolarHBondContact CB-OD2 3.47Å; T104-D249 WeakPolarHBondContact CG2-OD2 3.44Å; T104-D249 PolarHBondContact N-OD1 3.39Å; T104-D249 PolarHBondContact OG1-OD2 3.37Å |
| 105 | Y | 93.8 | Very high | 90 | Very high | 90 Ų | 90 | 45.5 Ų | 45.5 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.7 | -29.8 | 173.2 | 179 | -101.1 | 0 | 0 | 0 | 112.6 | Q70 G102 K103 G109 L110 K116 | Q70-Y105 PolarHBondContact NE2-O 3.34Å; G102-Y105 PolarHBondContact O-N 2.91Å; K103-Y105 VanDerWaalsContact C-N 3.29Å; K103-Y105 PolarHBondContact O-N 2.96Å; Y105-G109 WeakPolarHBondContact O-CA 3.46Å; Y105-G109 PolarHBondContact O-N 2.82Å; Y105-L110 HydrophobicContact CE2-CG 4.35Å; Y105-K116 HydrophobicContact CE2-CB 4.5Å |
| 106 | T | 96 | Very high | 89.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.5 | -43.3 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | R15 L73 G102 K103 T104 G118 V119 V318 | R15-T106 PolarHBondContact NH1-OG1 3.2Å; L73-T106 HydrophobicContact CD1-CG2 3.9Å; L73-T106 HydrophobicContact CD2-CG2 4.15Å; G102-T106 WeakPolarHBondContact O-CB 3.23Å; G102-T106 PolarHBondContact O-N 3.2Å; G102-T106 PolarHBondContact O-OG1 3.47Å; K103-T106 WeakPolarHBondContact O-CA 3.48Å; K103-T106 WeakPolarHBondContact O-CB 3.37Å; K103-T106 PolarHBondContact O-N 3.47Å; T104-T106 VanDerWaalsContact C-N 3.27Å; T104-T106 PolarHBondContact O-N 2.86Å; T106-G118 WeakPolarHBondContact O-CA 3.4Å; T106-V119 HydrophobicContact CG2-CG2 4.35Å; T106-V119 WeakPolarHBondContact O-CG2 3.39Å; T106-V119 PolarHBondContact O-N 3.43Å; T106-V318 HydrophobicContact CG2-CG1 4.03Å |
| 107 | M | 95.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.8 | -51.6 | 179.1 | -64.4 | -54.5 | -65.6 | 0 | 0 | 112.2 | I93 A95 K103 G118 V119 I120 L247 D249 | I93-M107 HydrophobicContact CG2-CE 4.41Å; I93-M107 HydrophobicContact CG2-SD 4.29Å; A95-M107 HydrophobicContact CB-CG 3.59Å; A95-M107 HydrophobicContact CB-SD 3.91Å; K103-M107 PolarHBondContact O-N 2.91Å; M107-G118 CarbonylContact O-C 3.6Å; M107-V119 PolarHBondContact O-N 2.83Å; M107-I120 HydrophobicContact CB-CD1 3.99Å; M107-I120 HydrophobicContact CE-CD1 4.31Å; M107-I120 HydrophobicContact CE-CG1 4.24Å; M107-I120 WeakPolarHBondContact O-CB 3.19Å; M107-I120 VanDerWaalsContact O-CG1 3.24Å; M107-I120 WeakPolarHBondContact O-CG1 3.4Å; M107-I120 PolarHBondContact O-N 3.36Å; M107-L247 HydrophobicContact CE-CB 3.99Å; M107-L247 HydrophobicContact CE-CD2 4.04Å; M107-D249 HydrophobicContact CB-CB 4.34Å; M107-D249 HydrophobicContact CG-CB 4.13Å |
| 108 | Q | 92.8 | Very high | 89.7 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -45.4 | -174.2 | -171.4 | 175.3 | 36 | 0 | 0 | 112.7 | T104 W111 G118 M198 N202 | T104-Q108 HydrophobicContact CG2-CB 4.33Å; T104-Q108 WeakPolarHBondContact O-CA 3.4Å; T104-Q108 WeakPolarHBondContact O-CB 3.21Å; T104-Q108 PolarHBondContact O-N 3.43Å; Q108-W111 HydrophobicContact CG-CZ2 3.74Å; Q108-W111 VanDerWaalsContact CG-NE1 3.31Å; Q108-G118 WeakPolarHBondContact O-CA 3.47Å; Q108-G118 PolarHBondContact O-N 2.8Å; Q108-M198 HydrophobicContact CG-CE 4.27Å; Q108-N202 PolarHBondContact NE2-ND2 2.84Å; Q108-N202 PolarHBondContact NE2-OD1 2.89Å |
| 109 | G | 91 | Very high | 90 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | 68.4 | -148.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T104 Y105 K116 | T104-G109 PolarHBondContact O-N 3.49Å; T104-G109 VanDerWaalsContact O-N 3.11Å; Y105-G109 WeakPolarHBondContact O-CA 3.46Å; Y105-G109 PolarHBondContact O-N 2.82Å; G109-K116 CarbonylContact C-O 3.56Å; G109-K116 VanDerWaalsContact CA-O 3.3Å; G109-K116 WeakPolarHBondContact CA-O 3.33Å |
| 110 | L | 86.8 | Confident | 90.4 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | trans | -113.9 | 108.1 | 177.6 | -60.8 | 179.1 | 0 | 0 | 0 | 110.3 | Y105 L112 D113 K116 | Y105-L110 HydrophobicContact CE2-CG 4.35Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.34Å; L110-D113 HydrophobicContact CB-CB 4.35Å; L110-D113 PolarHBondContact O-N 2.8Å; L110-K116 HydrophobicContact CB-CB 4.04Å; L110-K116 HydrophobicContact CD1-CB 4.33Å; L110-K116 HydrophobicContact CD1-CD 4.04Å; L110-K116 HydrophobicContact CG-CB 4.41Å; L110-K116 PolarHBondContact N-O 2.86Å | ||
| 111 | W | 77.7 | Confident | 90.8 | Very high | 59 Ų | 59 | 45.8 Ų | 45.8 | 22% | 0.223 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -43.8 | -176.2 | -65.9 | 96.4 | 0 | 0 | 0 | 114.9 | Q108 D113 Q117 P121 F124 E195 M198 | Q108-W111 HydrophobicContact CG-CZ2 3.74Å; Q108-W111 VanDerWaalsContact CG-NE1 3.31Å; W111-D113 PolarHBondContact O-N 3.29Å; W111-Q117 PolarHBondContact O-NE2 3.27Å; W111-P121 HydrophobicContact CE3-CB 4.14Å; W111-P121 HydrophobicContact CE3-CG 4.44Å; W111-P121 HydrophobicContact CH2-CB 4.18Å; W111-P121 HydrophobicContact CH2-CG 4.33Å; W111-P121 HydrophobicContact CZ3-CB 3.66Å; W111-P121 HydrophobicContact CZ3-CG 4.15Å; W111-F124 HydrophobicContact CH2-CE2 4.03Å; W111-F124 HydrophobicContact CZ3-CE2 4.47Å; W111-E195 HydrophobicContact CZ3-CG 4.06Å; W111-M198 HydrophobicContact CH2-SD 3.54Å; W111-M198 VanDerWaalsContact CH2-SD 3.54Å; W111-M198 HydrophobicContact CZ2-CE 4.13Å; W111-M198 HydrophobicContact CZ2-CG 4.49Å; W111-M198 HydrophobicContact CZ2-SD 3.45Å; W111-M198 WeakPolarHBondContact CZ2-SD 3.3Å |
| 112 | L | 80.7 | Confident | 91 | Very high | 180 Ų | 180 | 45.9 Ų | 45.9 | 94% | 0.942 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.2 | -174.7 | -62 | 174.1 | 0 | 0 | 0 | 113.9 | L110 | L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.34Å |
| 113 | D | 86.1 | Confident | 91.2 | Very high | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | trans | -126 | 100.4 | -174.9 | -177.5 | -31.9 | 0 | 0 | 0 | 109.2 | L110 W111 E115 K116 Q117 | L110-D113 HydrophobicContact CB-CB 4.35Å; L110-D113 PolarHBondContact O-N 2.8Å; W111-D113 PolarHBondContact O-N 3.29Å; D113-E115 PolarHBondContact O-N 2.89Å; D113-E115 VanDerWaalsContact O-N 3.11Å; D113-E115 PolarHBondContact OD1-N 3.22Å; D113-E115 VanDerWaalsContact OD1-N 3.15Å; D113-K116 HydrophobicContact CB-CB 4.06Å; D113-K116 HydrophobicContact CB-CG 4.49Å; D113-K116 CarbonylContact O-C 3.6Å; D113-K116 WeakPolarHBondContact O-CA 3.29Å; D113-K116 PolarHBondContact O-N 3.45Å; D113-K116 PolarHBondContact OD1-N 3.49Å; D113-K116 IonicContact OD1-NZ 2.84Å; D113-K116 VanDerWaalsContact OD2-CD 3.3Å; D113-K116 WeakPolarHBondContact OD2-CD 3.16Å; D113-K116 WeakPolarHBondContact OD2-CE 3.27Å; D113-K116 IonicContact OD2-NZ 3.76Å; D113-K116 PolarHBondContact OD2-NZ 3.21Å; D113-Q117 PolarHBondContact O-N 3.17Å | ||
| 114 | P | 83.8 | Confident | 91.3 | Very high | 103 Ų | 103 | 44.4 Ų | 44.4 | 67% | 0.669 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.3 | -175.7 | -28.8 | 36.7 | 0 | 0 | 0 | 115.3 | K116 | P114-K116 VanDerWaalsContact C-N 3.31Š|
| 115 | E | 86.7 | Confident | 91.3 | Very high | 116 Ų | 116 | 44.6 Ų | 44.6 | 54% | 0.542 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -19 | 173.3 | -68.5 | -151.4 | 121.2 | 0 | 0 | 112.8 | K69 D113 | K69-E115 IonicContact NZ-OE1 3.81Å; K69-E115 PolarHBondContact NZ-OE1 2.93Å; K69-E115 IonicContact NZ-OE2 2.65Å; D113-E115 PolarHBondContact O-N 2.89Å; D113-E115 VanDerWaalsContact O-N 3.11Å; D113-E115 PolarHBondContact OD1-N 3.22Å; D113-E115 VanDerWaalsContact OD1-N 3.15Å |
| 116 | K | 90.3 | Very high | 91.3 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | 2.6 | -175.1 | -59.6 | -176.6 | -167.2 | 65.7 | 0 | 113.9 | Q70 Y105 G109 L110 D113 P114 | Q70-K116 PolarHBondContact NE2-O 3.24Å; Y105-K116 HydrophobicContact CE2-CB 4.5Å; G109-K116 CarbonylContact C-O 3.56Å; G109-K116 VanDerWaalsContact CA-O 3.3Å; G109-K116 WeakPolarHBondContact CA-O 3.33Å; L110-K116 HydrophobicContact CB-CB 4.04Å; L110-K116 HydrophobicContact CD1-CB 4.33Å; L110-K116 HydrophobicContact CD1-CD 4.04Å; L110-K116 HydrophobicContact CG-CB 4.41Å; L110-K116 PolarHBondContact N-O 2.86Å; D113-K116 HydrophobicContact CB-CB 4.06Å; D113-K116 HydrophobicContact CB-CG 4.49Å; D113-K116 CarbonylContact O-C 3.6Å; D113-K116 WeakPolarHBondContact O-CA 3.29Å; D113-K116 PolarHBondContact O-N 3.45Å; D113-K116 PolarHBondContact OD1-N 3.49Å; D113-K116 IonicContact OD1-NZ 2.84Å; D113-K116 VanDerWaalsContact OD2-CD 3.3Å; D113-K116 WeakPolarHBondContact OD2-CD 3.16Å; D113-K116 WeakPolarHBondContact OD2-CE 3.27Å; D113-K116 IonicContact OD2-NZ 3.76Å; D113-K116 PolarHBondContact OD2-NZ 3.21Å; P114-K116 VanDerWaalsContact C-N 3.31Å |
| 117 | Q | 93.3 | Very high | 91.3 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -58.2 | 133.6 | 167.3 | -76.6 | -177 | -6.4 | 0 | 0 | 111.7 | Q70 W111 D113 P121 N122 | Q70-Q117 WeakPolarHBondContact CB-O 3.48Å; Q70-Q117 VanDerWaalsContact CG-O 3.28Å; Q70-Q117 WeakPolarHBondContact CG-O 3.37Å; W111-Q117 PolarHBondContact O-NE2 3.27Å; D113-Q117 PolarHBondContact O-N 3.17Å; Q117-P121 HydrophobicContact CB-CB 4.28Å; Q117-P121 HydrophobicContact CB-CG 3.86Å; Q117-P121 HydrophobicContact CG-CB 4.41Å; Q117-P121 HydrophobicContact CG-CG 4.29Å; Q117-N122 PolarHBondContact O-ND2 2.95Å; Q117-N122 VanDerWaalsContact O-ND2 3.11Å |
| 118 | G | 95.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | trans | -83.3 | -168.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T106 M107 Q108 I120 P121 N122 | T106-G118 WeakPolarHBondContact O-CA 3.4Å; M107-G118 CarbonylContact O-C 3.6Å; Q108-G118 WeakPolarHBondContact O-CA 3.47Å; Q108-G118 PolarHBondContact O-N 2.8Å; G118-I120 VanDerWaalsContact C-N 3.33Å; G118-I120 PolarHBondContact O-N 3.21Å; G118-P121 WeakPolarHBondContact O-CD 3.5Å; G118-P121 WeakPolarHBondContact O-CG 3.41Å; G118-N122 PolarHBondContact O-N 3.26Å; G118-N122 PolarHBondContact O-ND2 3.21Å | ||
| 119 | V | 97.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.4 | -41.3 | -179.6 | 166.7 | 0 | 0 | 0 | 0 | 113.2 | L73 V78 I93 T106 M107 A123 L247 | L73-V119 HydrophobicContact CD2-CG2 3.86Å; V78-V119 HydrophobicContact CG1-CG1 4.12Å; V78-V119 HydrophobicContact CG2-CG1 4.15Å; V78-V119 HydrophobicContact CG2-CG2 3.98Å; I93-V119 HydrophobicContact CD1-CG1 3.85Å; I93-V119 HydrophobicContact CG2-CG1 4.34Å; T106-V119 HydrophobicContact CG2-CG2 4.35Å; T106-V119 WeakPolarHBondContact O-CG2 3.39Å; T106-V119 PolarHBondContact O-N 3.43Å; M107-V119 PolarHBondContact O-N 2.83Å; V119-A123 VanDerWaalsContact O-CB 3.26Å; V119-A123 WeakPolarHBondContact O-CB 3.33Å; V119-A123 PolarHBondContact O-N 2.84Å; V119-L247 HydrophobicContact CG1-CD2 3.8Å |
| 120 | I | 96.1 | Very high | 91 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -56.8 | -175.1 | -61.7 | 167.3 | 0 | 0 | 0 | 111.9 | M107 G118 N122 A123 F124 M198 L247 | M107-I120 HydrophobicContact CB-CD1 3.99Å; M107-I120 HydrophobicContact CE-CD1 4.31Å; M107-I120 HydrophobicContact CE-CG1 4.24Å; M107-I120 WeakPolarHBondContact O-CB 3.19Å; M107-I120 VanDerWaalsContact O-CG1 3.24Å; M107-I120 WeakPolarHBondContact O-CG1 3.4Å; M107-I120 PolarHBondContact O-N 3.36Å; G118-I120 VanDerWaalsContact C-N 3.33Å; G118-I120 PolarHBondContact O-N 3.21Å; I120-N122 VanDerWaalsContact C-N 3.35Å; I120-N122 PolarHBondContact O-N 3.04Å; I120-A123 WeakPolarHBondContact O-CA 3.39Å; I120-A123 WeakPolarHBondContact O-CB 3.23Å; I120-A123 PolarHBondContact O-N 3.46Å; I120-F124 HydrophobicContact CG2-CD1 4.23Å; I120-F124 HydrophobicContact CG2-CE1 3.45Å; I120-F124 VanDerWaalsContact CG2-CE1 3.45Å; I120-F124 HydrophobicContact CG2-CE2 4Å; I120-F124 HydrophobicContact CG2-CZ 3.32Å; I120-F124 WeakPolarHBondContact O-CD1 3.47Å; I120-F124 WeakPolarHBondContact O-CG 3.33Å; I120-F124 PolarHBondContact O-N 2.88Å; I120-M198 HydrophobicContact CB-SD 4.48Å; I120-M198 HydrophobicContact CD1-CE 3.69Å; I120-M198 HydrophobicContact CG2-CE 4.03Å; I120-M198 HydrophobicContact CG2-SD 3.54Å; I120-M198 VanDerWaalsContact CG2-SD 3.54Å; I120-L247 HydrophobicContact CD1-CB 4.3Å; I120-L247 HydrophobicContact CG1-CB 3.99Å; I120-L247 HydrophobicContact CG1-CD1 4.14Å; I120-L247 HydrophobicContact CG1-CD2 4.03Å; I120-L247 HydrophobicContact CG1-CG 4.27Å; I120-L247 HydrophobicContact CG2-CD1 4.35Å |
| 121 | P | 94.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 175.2 | 16.6 | -28.7 | 0 | 0 | 0 | 113.6 | W111 Q117 G118 A123 F124 D125 | W111-P121 HydrophobicContact CE3-CB 4.14Å; W111-P121 HydrophobicContact CE3-CG 4.44Å; W111-P121 HydrophobicContact CH2-CB 4.18Å; W111-P121 HydrophobicContact CH2-CG 4.33Å; W111-P121 HydrophobicContact CZ3-CB 3.66Å; W111-P121 HydrophobicContact CZ3-CG 4.15Å; Q117-P121 HydrophobicContact CB-CB 4.28Å; Q117-P121 HydrophobicContact CB-CG 3.86Å; Q117-P121 HydrophobicContact CG-CB 4.41Å; Q117-P121 HydrophobicContact CG-CG 4.29Å; G118-P121 WeakPolarHBondContact O-CD 3.5Å; G118-P121 WeakPolarHBondContact O-CG 3.41Å; P121-A123 VanDerWaalsContact C-N 3.27Å; P121-A123 PolarHBondContact O-N 3.32Å; P121-F124 WeakPolarHBondContact O-CB 3.39Å; P121-F124 PolarHBondContact O-N 3.49Å; P121-F124 VanDerWaalsContact O-N 3.15Å; P121-D125 PolarHBondContact O-N 3.4Å |
| 122 | N | 95.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -31.9 | 174.9 | -77.4 | -92.9 | 0 | 0 | 0 | 112 | R71 Y74 Q117 G118 I120 H126 | R71-N122 WeakPolarHBondContact CD-OD1 3.38Å; R71-N122 PolarHBondContact NH1-OD1 2.92Å; Y74-N122 HydrophobicContact CD1-CB 4.11Å; Y74-N122 HydrophobicContact CD2-CB 3.38Å; Y74-N122 HydrophobicContact CE1-CB 4.19Å; Y74-N122 HydrophobicContact CE2-CB 3.43Å; Y74-N122 VanDerWaalsContact CE2-CB 3.43Å; Y74-N122 HydrophobicContact CG-CB 3.74Å; Y74-N122 PolarHBondContact OH-O 2.89Å; Q117-N122 PolarHBondContact O-ND2 2.95Å; Q117-N122 VanDerWaalsContact O-ND2 3.11Å; G118-N122 PolarHBondContact O-N 3.26Å; G118-N122 PolarHBondContact O-ND2 3.21Å; I120-N122 VanDerWaalsContact C-N 3.35Å; I120-N122 PolarHBondContact O-N 3.04Å; N122-H126 VanDerWaalsContact O-CB 3.27Å; N122-H126 WeakPolarHBondContact O-CB 3.25Å; N122-H126 PolarHBondContact O-N 2.89Å |
| 123 | A | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -34.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y74 I82 V119 I120 P121 I127 L245 | Y74-A123 HydrophobicContact CE2-CB 4.33Å; Y74-A123 WeakPolarHBondContact OH-CA 3.46Å; I82-A123 HydrophobicContact CD1-CB 3.96Å; V119-A123 VanDerWaalsContact O-CB 3.26Å; V119-A123 WeakPolarHBondContact O-CB 3.33Å; V119-A123 PolarHBondContact O-N 2.84Å; I120-A123 WeakPolarHBondContact O-CA 3.39Å; I120-A123 WeakPolarHBondContact O-CB 3.23Å; I120-A123 PolarHBondContact O-N 3.46Å; P121-A123 VanDerWaalsContact C-N 3.27Å; P121-A123 PolarHBondContact O-N 3.32Å; A123-I127 WeakPolarHBondContact O-CB 3.18Å; A123-I127 WeakPolarHBondContact O-CD1 3.35Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 3.41Å; A123-L245 HydrophobicContact CB-CD2 4.44Å |
| 124 | F | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -52.3 | 173.2 | -61.4 | -11.1 | 0 | 0 | 0 | 110.9 | W111 I120 P121 H126 I127 F128 I191 I194 E195 M198 F223 I225 | W111-F124 HydrophobicContact CH2-CE2 4.03Å; W111-F124 HydrophobicContact CZ3-CE2 4.47Å; I120-F124 HydrophobicContact CG2-CD1 4.23Å; I120-F124 HydrophobicContact CG2-CE1 3.45Å; I120-F124 VanDerWaalsContact CG2-CE1 3.45Å; I120-F124 HydrophobicContact CG2-CE2 4Å; I120-F124 HydrophobicContact CG2-CZ 3.32Å; I120-F124 WeakPolarHBondContact O-CD1 3.47Å; I120-F124 WeakPolarHBondContact O-CG 3.33Å; I120-F124 PolarHBondContact O-N 2.88Å; P121-F124 WeakPolarHBondContact O-CB 3.39Å; P121-F124 PolarHBondContact O-N 3.49Å; P121-F124 VanDerWaalsContact O-N 3.15Å; F124-H126 PolarHBondContact O-N 2.75Å; F124-I127 PolarHBondContact O-N 3.37Å; F124-F128 WeakPolarHBondContact O-CD2 3.44Å; F124-F128 PolarHBondContact O-N 3.12Å; F124-F128 VanDerWaalsContact O-N 3.09Å; F124-I191 HydrophobicContact CB-CG2 4.45Å; F124-I194 HydrophobicContact CB-CG2 3.93Å; F124-I194 HydrophobicContact CD1-CD1 3.9Å; F124-I194 HydrophobicContact CD1-CG1 4.15Å; F124-I194 HydrophobicContact CD1-CG2 4.1Å; F124-I194 HydrophobicContact CD2-CG2 3.65Å; F124-I194 HydrophobicContact CE1-CD1 3.81Å; F124-I194 HydrophobicContact CE1-CG1 3.85Å; F124-I194 HydrophobicContact CE2-CG1 4.22Å; F124-I194 HydrophobicContact CE2-CG2 4.11Å; F124-I194 HydrophobicContact CG-CG1 4.48Å; F124-I194 HydrophobicContact CG-CG2 3.64Å; F124-I194 HydrophobicContact CZ-CD1 4.37Å; F124-I194 HydrophobicContact CZ-CG1 3.88Å; F124-E195 HydrophobicContact CD2-CG 3.92Å; F124-E195 HydrophobicContact CE2-CG 4.28Å; F124-M198 HydrophobicContact CE2-CB 4.3Å; F124-M198 HydrophobicContact CE2-SD 4.12Å; F124-M198 HydrophobicContact CZ-CB 4.27Å; F124-M198 HydrophobicContact CZ-SD 3.9Å; F124-F223 HydrophobicContact CE1-CD1 4.07Å; F124-F223 AromaticContact CE1-CE1 3.48Å; F124-F223 HydrophobicContact CE1-CE1 3.48Å; F124-F223 VanDerWaalsContact CE1-CE1 3.48Å; F124-F223 HydrophobicContact CE1-CZ 4.06Å; F124-F223 HydrophobicContact CZ-CD1 4.24Å; F124-F223 AromaticContact CZ-CE1 3.58Å; F124-F223 HydrophobicContact CZ-CE1 3.58Å; F124-F223 HydrophobicContact CZ-CE2 4.4Å; F124-F223 AromaticContact CZ-CZ 3.68Å; F124-F223 HydrophobicContact CZ-CZ 3.68Å; F124-I225 HydrophobicContact CD1-CD1 3.91Å; F124-I225 HydrophobicContact CE1-CD1 3.77Å |
| 125 | D | 93.1 | Very high | 91 | Very high | 54 Ų | 54 | 40.6 Ų | 40.6 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53 | -55.8 | 173.9 | 168.8 | 39.6 | 0 | 0 | 0 | 110.7 | P121 I127 F128 T129 | P121-D125 PolarHBondContact O-N 3.4Å; D125-I127 PolarHBondContact O-N 3.24Å; D125-F128 PolarHBondContact O-N 3.11Å; D125-T129 WeakPolarHBondContact O-CB 3.31Å; D125-T129 PolarHBondContact O-N 3.12Å; D125-T129 PolarHBondContact O-OG1 3.23Å; D125-T129 VanDerWaalsContact O-OG1 3.12Å; D125-T129 PolarHBondContact OD1-OG1 3.22Å |
| 126 | H | 93.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.2 | -40.5 | -175.8 | -173.1 | -149.1 | 0 | 0 | 0 | 113.4 | Y74 R79 I82 D83 N122 F124 H130 | Y74-H126 HydrophobicContact CE1-CB 4.46Å; Y74-H126 WeakPolarHBondContact OH-CB 3.3Å; Y74-H126 PolarHBondContact OH-ND1 3.25Å; R79-H126 PolarHBondContact NH1-CD2 3.22Å; R79-H126 VanDerWaalsContact NH1-CD2 3.34Å; R79-H126 PolarHBondContact NH1-NE2 3.46Å; I82-H126 WeakPolarHBondContact CG2-ND1 3.32Å; D83-H126 IonicContact OD1-CE1 3.6Å; D83-H126 PolarHBondContact OD1-CE1 2.69Å; D83-H126 IonicContact OD1-NE2 2.66Å; D83-H126 PolarHBondContact OD1-NE2 3.26Å; N122-H126 VanDerWaalsContact O-CB 3.27Å; N122-H126 WeakPolarHBondContact O-CB 3.25Å; N122-H126 PolarHBondContact O-N 2.89Å; F124-H126 PolarHBondContact O-N 2.75Å; H126-H130 VanDerWaalsContact O-CB 3.26Å; H126-H130 WeakPolarHBondContact O-CB 3.08Å; H126-H130 PolarHBondContact O-N 3.43Å |
| 127 | I | 94.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -51.9 | 177.8 | -72.3 | 167.1 | 0 | 0 | 0 | 110.8 | I82 L86 A123 F124 D125 H130 I131 V142 I225 V227 L245 | I82-I127 HydrophobicContact CG2-CD1 4.38Å; I82-I127 HydrophobicContact CG2-CG1 3.81Å; L86-I127 HydrophobicContact CD2-CG1 4.35Å; L86-I127 HydrophobicContact CD2-CG2 4.32Å; A123-I127 WeakPolarHBondContact O-CB 3.18Å; A123-I127 WeakPolarHBondContact O-CD1 3.35Å; A123-I127 WeakPolarHBondContact O-CG1 3.46Å; A123-I127 PolarHBondContact O-N 3.41Å; F124-I127 PolarHBondContact O-N 3.37Å; D125-I127 PolarHBondContact O-N 3.24Å; I127-H130 PolarHBondContact O-N 2.84Å; I127-I131 HydrophobicContact CG2-CD1 3.88Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.34Å; I127-I131 PolarHBondContact O-N 2.8Å; I127-V142 HydrophobicContact CG2-CG2 4.29Å; I127-I225 HydrophobicContact CD1-CD1 4.02Å; I127-I225 HydrophobicContact CD1-CG2 4.48Å; I127-V227 HydrophobicContact CG2-CG2 4.23Å; I127-L245 HydrophobicContact CD1-CD2 4.08Å |
| 128 | F | 93.8 | Very high | 89.3 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.7 | -32.8 | -177.9 | -77.8 | -75 | 0 | 0 | 0 | 112.8 | F124 D125 I131 S132 V142 C188 K189 I191 I194 | F124-F128 WeakPolarHBondContact O-CD2 3.44Å; F124-F128 PolarHBondContact O-N 3.12Å; F124-F128 VanDerWaalsContact O-N 3.09Å; D125-F128 PolarHBondContact O-N 3.11Å; F128-I131 PolarHBondContact O-N 3.43Å; F128-S132 WeakPolarHBondContact O-CB 3.32Å; F128-S132 PolarHBondContact O-N 2.89Å; F128-S132 PolarHBondContact O-OG 2.82Å; F128-V142 HydrophobicContact CE1-CB 4.5Å; F128-V142 HydrophobicContact CE1-CG2 4.24Å; F128-V142 HydrophobicContact CZ-CB 4.1Å; F128-V142 HydrophobicContact CZ-CG1 4.11Å; F128-V142 HydrophobicContact CZ-CG2 4.19Å; F128-C188 HydrophobicContact CZ-CB 4.07Å; F128-K189 VanDerWaalsContact CE1-C 3.48Å; F128-I191 HydrophobicContact CB-CD1 4.15Å; F128-I191 HydrophobicContact CB-CG1 3.56Å; F128-I191 HydrophobicContact CD2-CG1 3.86Å; F128-I191 HydrophobicContact CG-CG1 3.92Å; F128-I194 HydrophobicContact CD2-CG2 4.32Å; F128-I194 HydrophobicContact CE2-CB 4.26Å; F128-I194 HydrophobicContact CE2-CD1 4.43Å; F128-I194 HydrophobicContact CE2-CG2 3.68Å |
| 129 | T | 90.7 | Very high | 88.9 | Confident | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.16 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.8 | -33.2 | 172.9 | -69.3 | 0 | 0 | 0 | 0 | 112 | D125 S132 R133 | D125-T129 WeakPolarHBondContact O-CB 3.31Å; D125-T129 PolarHBondContact O-N 3.12Å; D125-T129 PolarHBondContact O-OG1 3.23Å; D125-T129 VanDerWaalsContact O-OG1 3.12Å; D125-T129 PolarHBondContact OD1-OG1 3.22Å; T129-S132 PolarHBondContact O-OG 2.86Å; T129-R133 WeakPolarHBondContact O-CB 3.31Å; T129-R133 VanDerWaalsContact O-CD 3.32Å; T129-R133 WeakPolarHBondContact O-CD 3.35Å; T129-R133 WeakPolarHBondContact O-CG 3.25Å; T129-R133 PolarHBondContact O-N 3.3Å |
| 130 | H | 89.9 | Confident | 88.6 | Confident | 63 Ų | 63 | 48 Ų | 48 | 29% | 0.292 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.2 | -44 | 168.7 | 176.1 | -79.4 | 0 | 0 | 0 | 111.5 | L86 H126 I127 R133 S134 Y140 | L86-H130 HydrophobicContact CD1-CB 3.75Å; L86-H130 HydrophobicContact CD2-CB 4.4Å; H126-H130 VanDerWaalsContact O-CB 3.26Å; H126-H130 WeakPolarHBondContact O-CB 3.08Å; H126-H130 PolarHBondContact O-N 3.43Å; I127-H130 PolarHBondContact O-N 2.84Å; H130-R133 PolarHBondContact O-N 2.82Å; H130-S134 WeakPolarHBondContact O-CB 3.49Å; H130-S134 PolarHBondContact O-N 2.88Å; H130-S134 VanDerWaalsContact O-N 3.11Å; H130-Y140 PolarHBondContact CE1-OH 3.36Å |
| 131 | I | 89.5 | Confident | 88.3 | Confident | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.185 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 179.4 | -68.8 | 166.1 | 0 | 0 | 0 | 111 | I127 F128 R133 S134 Y140 V142 | I127-I131 HydrophobicContact CG2-CD1 3.88Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.34Å; I127-I131 PolarHBondContact O-N 2.8Å; F128-I131 PolarHBondContact O-N 3.43Å; I131-R133 VanDerWaalsContact C-N 3.3Å; I131-R133 PolarHBondContact O-N 3.41Å; I131-S134 WeakPolarHBondContact O-CB 3.47Å; I131-S134 PolarHBondContact O-N 3.37Å; I131-S134 VanDerWaalsContact O-N 3.12Å; I131-S134 PolarHBondContact O-OG 3.29Å; I131-Y140 HydrophobicContact CB-CD2 4.48Å; I131-Y140 HydrophobicContact CD1-CD1 4.32Å; I131-Y140 HydrophobicContact CD1-CG 4.23Å; I131-Y140 HydrophobicContact CG1-CD1 3.96Å; I131-Y140 HydrophobicContact CG1-CD2 4.1Å; I131-Y140 HydrophobicContact CG1-CE1 4.44Å; I131-Y140 HydrophobicContact CG1-CG 3.77Å; I131-Y140 HydrophobicContact CG2-CD2 4.07Å; I131-Y140 HydrophobicContact CG2-CG 4.18Å; I131-V142 HydrophobicContact CD1-CG2 3.55Å |
| 132 | S | 87.4 | Confident | 88.3 | Confident | 95 Ų | 95 | 51 Ų | 51 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -67.4 | -27 | -179.5 | 66.2 | 0 | 0 | 0 | 0 | 113.9 | F128 T129 | F128-S132 WeakPolarHBondContact O-CB 3.32Å; F128-S132 PolarHBondContact O-N 2.89Å; F128-S132 PolarHBondContact O-OG 2.82Å; T129-S132 PolarHBondContact O-OG 2.86Å |
| 133 | R | 84.7 | Confident | 88.3 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -1.4 | 174 | -65.8 | 172 | 178.5 | 172.4 | 1.3 | 113.8 | T129 H130 I131 E495 | T129-R133 WeakPolarHBondContact O-CB 3.31Å; T129-R133 VanDerWaalsContact O-CD 3.32Å; T129-R133 WeakPolarHBondContact O-CD 3.35Å; T129-R133 WeakPolarHBondContact O-CG 3.25Å; T129-R133 PolarHBondContact O-N 3.3Å; H130-R133 PolarHBondContact O-N 2.82Å; I131-R133 VanDerWaalsContact C-N 3.3Å; I131-R133 PolarHBondContact O-N 3.41Å; R133-E495 IonicContact CZ-OE2 3.16Å; R133-E495 IonicContact NH1-OE2 2.69Å; R133-E495 PolarHBondContact NH1-OE2 2.83Å; R133-E495 IonicContact NH2-OE2 3.36Å; R133-E495 PolarHBondContact NH2-OE2 3.45Å |
| 134 | S | 82.1 | Confident | 88.3 | Confident | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -76.8 | 158.7 | -177.9 | 75.2 | 0 | 0 | 0 | 0 | 112.4 | H130 I131 Y140 | H130-S134 WeakPolarHBondContact O-CB 3.49Å; H130-S134 PolarHBondContact O-N 2.88Å; H130-S134 VanDerWaalsContact O-N 3.11Å; I131-S134 WeakPolarHBondContact O-CB 3.47Å; I131-S134 PolarHBondContact O-N 3.37Å; I131-S134 VanDerWaalsContact O-N 3.12Å; I131-S134 PolarHBondContact O-OG 3.29Å; S134-Y140 WeakPolarHBondContact OG-CE2 3.44Å |
| 135 | Q | 71.3 | Confident | 88.3 | Confident | 137 Ų | 137 | 54.3 Ų | 54.3 | 64% | 0.64 | 28% | 0.282 | S | S | * | . | trans | -69.3 | 146.7 | 177.5 | -74.6 | 173.5 | -28.7 | 0 | 0 | 111.1 | D137 K138 | Q135-D137 WeakPolarHBondContact CB-OD1 3.32Å; Q135-D137 PolarHBondContact O-N 2.82Å; Q135-K138 PolarHBondContact O-N 3.23Å | ||
| 136 | S | 70.4 | Confident | 88.4 | Confident | 131 Ų | 131 | 52.1 Ų | 52.1 | 92% | 0.916 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -2 | -175.6 | 49.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 137 | D | 78.6 | Confident | 88.4 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23.9 | 169 | 72.8 | -49.8 | 0 | 0 | 0 | 112.5 | Q135 Q231 P232 | Q135-D137 WeakPolarHBondContact CB-OD1 3.32Å; Q135-D137 PolarHBondContact O-N 2.82Å; D137-Q231 VanDerWaalsContact OD2-CG 3.3Å; D137-Q231 WeakPolarHBondContact OD2-CG 3.22Å; D137-Q231 PolarHBondContact OD2-NE2 2.88Å; D137-P232 HydrophobicContact CB-CG 4.02Å; D137-P232 WeakPolarHBondContact O-CD 3.22Å |
| 138 | K | 84.3 | Confident | 88.2 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | trans | -93 | 135.3 | -176.2 | -67.3 | 169.4 | -168 | 172.9 | 0 | 111.7 | Q135 Y140 S230 Q231 | Q135-K138 PolarHBondContact O-N 3.23Å; K138-Y140 HydrophobicContact CB-CD2 4.2Å; K138-Y140 HydrophobicContact CB-CE2 3.62Å; K138-Y140 HydrophobicContact CD-CE2 4.16Å; K138-Y140 HydrophobicContact CG-CE2 4.47Å; K138-S230 WeakPolarHBondContact CA-O 3.34Å; K138-Q231 VanDerWaalsContact CE-CD 3.5Å; K138-Q231 HydrophobicContact CG-CB 4.22Å; K138-Q231 HydrophobicContact CG-CG 3.83Å | ||
| 139 | Q | 87.2 | Confident | 88 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126 | 172.9 | -56.9 | -170.4 | -53.6 | 0 | 0 | 108.7 | S230 | Q139-S230 PolarHBondContact N-O 3.47Å; Q139-S230 PolarHBondContact O-N 3.27Å |
| 140 | Y | 91.3 | Very high | 87.8 | Confident | 45 Ų | 45 | 51 Ų | 51 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.5 | -178.5 | -74 | -87.9 | 0 | 0 | 0 | 111.3 | H130 I131 S134 K138 V227 E228 C229 | H130-Y140 PolarHBondContact CE1-OH 3.36Å; I131-Y140 HydrophobicContact CB-CD2 4.48Å; I131-Y140 HydrophobicContact CD1-CD1 4.32Å; I131-Y140 HydrophobicContact CD1-CG 4.23Å; I131-Y140 HydrophobicContact CG1-CD1 3.96Å; I131-Y140 HydrophobicContact CG1-CD2 4.1Å; I131-Y140 HydrophobicContact CG1-CE1 4.44Å; I131-Y140 HydrophobicContact CG1-CG 3.77Å; I131-Y140 HydrophobicContact CG2-CD2 4.07Å; I131-Y140 HydrophobicContact CG2-CG 4.18Å; S134-Y140 WeakPolarHBondContact OG-CE2 3.44Å; K138-Y140 HydrophobicContact CB-CD2 4.2Å; K138-Y140 HydrophobicContact CB-CE2 3.62Å; K138-Y140 HydrophobicContact CD-CE2 4.16Å; K138-Y140 HydrophobicContact CG-CE2 4.47Å; Y140-V227 HydrophobicContact CD1-CG1 4.01Å; Y140-V227 HydrophobicContact CE1-CG1 4.47Å; Y140-E228 VanDerWaalsContact CA-O 3.31Å; Y140-E228 WeakPolarHBondContact CA-O 3.21Å; Y140-C229 HydrophobicContact CD1-CB 3.93Å; Y140-C229 HydrophobicContact CE1-CB 3.58Å |
| 141 | L | 90.9 | Very high | 87.3 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 118.2 | 170.5 | 176.2 | 58.1 | 0 | 0 | 0 | 109 | R143 V187 E228 | L141-R143 HydrophobicContact CG-CG 4.43Å; L141-V187 HydrophobicContact CD1-CG1 3.61Å; L141-V187 HydrophobicContact CD1-CG2 4.35Å; L141-E228 HydrophobicContact CB-CB 4.34Å; L141-E228 PolarHBondContact N-O 3.21Å; L141-E228 PolarHBondContact O-N 2.93Å |
| 142 | V | 94.6 | Very high | 87.1 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.7 | 178 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | I127 F128 I131 C188 I194 I225 T226 V227 | I127-V142 HydrophobicContact CG2-CG2 4.29Å; F128-V142 HydrophobicContact CE1-CB 4.5Å; F128-V142 HydrophobicContact CE1-CG2 4.24Å; F128-V142 HydrophobicContact CZ-CB 4.1Å; F128-V142 HydrophobicContact CZ-CG1 4.11Å; F128-V142 HydrophobicContact CZ-CG2 4.19Å; I131-V142 HydrophobicContact CD1-CG2 3.55Å; V142-C188 PolarHBondContact O-N 2.84Å; V142-I194 HydrophobicContact CG1-CD1 4.49Å; V142-I225 HydrophobicContact CG1-CG2 3.63Å; V142-T226 WeakPolarHBondContact CA-O 3.36Å; V142-V227 HydrophobicContact CG2-CG1 4.48Å; V142-V227 HydrophobicContact CG2-CG2 4.39Å |
| 143 | R | 94.3 | Very high | 87.1 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 23% | 0.226 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.9 | 173.7 | -60.4 | -166.6 | -63.9 | -90.2 | -0.3 | 110.2 | L141 S185 C186 V187 I225 T226 E228 | L141-R143 HydrophobicContact CG-CG 4.43Å; R143-S185 WeakPolarHBondContact CD-OG 3.24Å; R143-C186 CarbonylContact C-O 3.58Å; R143-C186 VanDerWaalsContact CA-O 3.32Å; R143-C186 WeakPolarHBondContact CA-O 3.46Å; R143-V187 HydrophobicContact CG-CG2 4.07Å; R143-I225 CarbonylContact O-C 3.55Å; R143-I225 WeakPolarHBondContact O-CA 3.48Å; R143-T226 PolarHBondContact N-O 3.07Å; R143-T226 PolarHBondContact O-N 3.49Å; R143-E228 IonicContact CZ-OE1 3.78Å; R143-E228 IonicContact CZ-OE2 3.56Å; R143-E228 IonicContact NH1-OE1 3.27Å; R143-E228 PolarHBondContact NH1-OE1 2.89Å; R143-E228 VanDerWaalsContact NH1-OE1 3.15Å; R143-E228 IonicContact NH1-OE2 3.93Å; R143-E228 PolarHBondContact NH1-OE2 2.91Å; R143-E228 IonicContact NH2-OE1 2.73Å; R143-E228 PolarHBondContact NH2-OE1 3.08Å; R143-E228 IonicContact NH2-OE2 2.69Å |
| 144 | A | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 136.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S185 C186 I194 V197 F223 L224 | A144-S185 CarbonylContact O-C 3.47Å; A144-C186 PolarHBondContact N-O 3.27Å; A144-C186 PolarHBondContact O-N 2.99Å; A144-I194 HydrophobicContact CB-CD1 4Å; A144-I194 HydrophobicContact CB-CG1 4.03Å; A144-V197 HydrophobicContact CB-CG1 4.12Å; A144-F223 HydrophobicContact CB-CE1 4.14Å; A144-F223 HydrophobicContact CB-CZ 3.95Å; A144-L224 WeakPolarHBondContact CA-O 3.31Å |
| 145 | S | 95.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 145.5 | 170.2 | -64.2 | 0 | 0 | 0 | 0 | 108.7 | T184 S185 L224 | S145-T184 WeakPolarHBondContact CB-O 3.17Å; S145-T184 PolarHBondContact OG-O 2.98Å; S145-S185 WeakPolarHBondContact OG-CA 3.38Å; S145-L224 PolarHBondContact N-O 3.04Å; S145-L224 PolarHBondContact O-N 2.87Å |
| 146 | Y | 95.4 | Very high | 88.6 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 120.9 | 179.7 | -165.5 | -172 | 0 | 0 | 0 | 109.5 | L157 M198 N202 A221 F223 | Y146-L157 HydrophobicContact CD1-CB 4.37Å; Y146-L157 HydrophobicContact CD1-CD1 4.09Å; Y146-L157 HydrophobicContact CD2-CD1 3.82Å; Y146-L157 HydrophobicContact CE1-CD1 4.07Å; Y146-L157 HydrophobicContact CE2-CD1 3.82Å; Y146-L157 HydrophobicContact CG-CB 4.29Å; Y146-L157 HydrophobicContact CG-CD1 3.95Å; Y146-L157 WeakPolarHBondContact O-CB 3.44Å; Y146-L157 PolarHBondContact O-N 3.45Å; Y146-M198 HydrophobicContact CD1-CG 4.37Å; Y146-M198 HydrophobicContact CE1-CG 3.95Å; Y146-N202 PolarHBondContact OH-OD1 3.39Å; Y146-N202 VanDerWaalsContact OH-OD1 3.08Å; Y146-A221 HydrophobicContact CE2-CB 4.05Å; Y146-F223 AromaticContact CD1-CD2 3.71Å; Y146-F223 HydrophobicContact CD1-CD2 3.71Å; Y146-F223 HydrophobicContact CD1-CE2 4.04Å; Y146-F223 HydrophobicContact CD2-CB 4.01Å; Y146-F223 AromaticContact CD2-CD2 3.71Å; Y146-F223 HydrophobicContact CD2-CD2 3.71Å; Y146-F223 HydrophobicContact CD2-CG 4.34Å; Y146-F223 HydrophobicContact CE1-CD2 4.17Å; Y146-F223 HydrophobicContact CE2-CB 4.17Å; Y146-F223 HydrophobicContact CE2-CD2 4.15Å; Y146-F223 AromaticContact CG-CD2 3.48Å; Y146-F223 HydrophobicContact CG-CD2 3.48Å; Y146-F223 VanDerWaalsContact CG-CD2 3.48Å; Y146-F223 HydrophobicContact CG-CE2 4.07Å; Y146-F223 HydrophobicContact CG-CG 4.47Å |
| 147 | L | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 160.3 | -178.5 | 70.7 | 82.3 | 0 | 0 | 0 | 112.4 | I149 I154 R155 V180 L183 L222 L224 | L147-I149 HydrophobicContact CD1-CG1 3.86Å; L147-I154 HydrophobicContact CD1-CG2 4.38Å; L147-I154 HydrophobicContact CD2-CG2 4.33Å; L147-R155 CarbonylContact C-O 3.56Å; L147-R155 VanDerWaalsContact CA-O 3.29Å; L147-R155 WeakPolarHBondContact CA-O 3.38Å; L147-R155 WeakPolarHBondContact CB-O 3.46Å; L147-V180 HydrophobicContact CD2-CG2 3.79Å; L147-L183 HydrophobicContact CB-CD1 4.02Å; L147-L183 HydrophobicContact CD2-CD1 4.28Å; L147-L183 HydrophobicContact CD2-CD2 3.86Å; L147-L222 HydrophobicContact CD1-CB 3.8Å; L147-L222 HydrophobicContact CD1-CD1 3.95Å; L147-L222 HydrophobicContact CD1-CD2 4.39Å; L147-L222 HydrophobicContact CD1-CG 4.24Å; L147-L222 HydrophobicContact CG-CB 3.99Å; L147-L222 PolarHBondContact N-O 3.35Å; L147-L222 PolarHBondContact O-N 3.45Å; L147-L224 HydrophobicContact CD2-CD1 4.13Å |
| 148 | E | 91.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.4 | 171.5 | -174.3 | 170.1 | -121.6 | 0 | 0 | 110.5 | R155 L157 R205 H215 S219 H220 | E148-R155 PolarHBondContact N-O 2.88Å; E148-R155 PolarHBondContact O-N 3Å; E148-L157 HydrophobicContact CB-CD1 4.14Å; E148-L157 HydrophobicContact CB-CD2 3.98Å; E148-L157 HydrophobicContact CB-CG 4.11Å; E148-R205 WeakPolarHBondContact OE1-CD 3.29Å; E148-R205 VanDerWaalsContact OE1-CG 3.29Å; E148-R205 WeakPolarHBondContact OE1-CG 3.36Å; E148-R205 IonicContact OE1-CZ 2.82Å; E148-R205 IonicContact OE1-NE 3.26Å; E148-R205 PolarHBondContact OE1-NE 3.33Å; E148-R205 IonicContact OE1-NH2 2.7Å; E148-H215 IonicContact OE1-CE1 2.63Å; E148-H215 PolarHBondContact OE1-CE1 3.43Å; E148-H215 IonicContact OE1-ND1 2.76Å; E148-H215 PolarHBondContact OE1-ND1 3.17Å; E148-H215 IonicContact OE2-CE1 3.89Å; E148-H215 PolarHBondContact OE2-CE1 2.85Å; E148-H215 VanDerWaalsContact OE2-CE1 3.26Å; E148-H215 IonicContact OE2-ND1 3.82Å; E148-S219 WeakPolarHBondContact OE1-CB 3.47Å; E148-S219 PolarHBondContact OE1-OG 3.02Å; E148-H220 CarbonylContact C-O 3.6Å; E148-H220 WeakPolarHBondContact CA-O 3.25Å |
| 149 | I | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116 | 166.6 | -48.9 | 176.5 | 0 | 0 | 0 | 107.6 | L147 E153 I154 S219 H220 L222 L301 L304 | L147-I149 HydrophobicContact CD1-CG1 3.86Å; I149-E153 WeakPolarHBondContact CA-O 3.25Å; I149-I154 HydrophobicContact CG1-CG1 4.5Å; I149-S219 WeakPolarHBondContact O-CA 3.35Å; I149-H220 HydrophobicContact CB-CB 4.29Å; I149-H220 PolarHBondContact N-O 3.13Å; I149-H220 PolarHBondContact O-N 2.99Å; I149-L222 HydrophobicContact CD1-CD1 3.93Å; I149-L222 HydrophobicContact CG1-CD1 4.15Å; I149-L301 HydrophobicContact CD1-CB 4Å; I149-L301 HydrophobicContact CD1-CD1 3.95Å; I149-L304 HydrophobicContact CD1-CD1 3.77Å |
| 150 | Y | 85.5 | Confident | 89.6 | Confident | 27 Ų | 27 | 32 Ų | 32 | 11% | 0.106 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 131.5 | 178.8 | 178.2 | -115.4 | 0 | 0 | 0 | 108.6 | E152 E153 H215 R218 E268 I272 | Y150-E152 PolarHBondContact O-N 2.86Å; Y150-E153 PolarHBondContact N-O 3.44Å; Y150-E153 VanDerWaalsContact N-O 3.08Å; Y150-E153 WeakPolarHBondContact O-CB 3.31Å; Y150-E153 PolarHBondContact O-N 2.66Å; Y150-H215 AromaticContact CD1-NE2 3.8Å; Y150-H215 AromaticContact CD2-CE1 3.99Å; Y150-H215 AromaticContact CD2-NE2 3.95Å; Y150-H215 AromaticContact CE1-NE2 3.7Å; Y150-H215 AromaticContact CE2-NE2 3.88Å; Y150-H215 AromaticContact CG-CE1 3.93Å; Y150-H215 AromaticContact CG-NE2 3.91Å; Y150-H215 AromaticContact CZ-NE2 3.73Å; Y150-R218 WeakPolarHBondContact CD2-O 3.29Å; Y150-R218 HydrophobicContact CE2-CB 4.34Å; Y150-E268 HydrophobicContact CE2-CG 4.42Å; Y150-I272 HydrophobicContact CE2-CD1 4.42Å |
| 151 | L | 79.4 | Confident | 88.6 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.1 | -177.3 | -56.4 | 179.1 | 0 | 0 | 0 | 115.2 | E153 E268 K271 | L151-E153 PolarHBondContact O-N 2.85Å; L151-E268 HydrophobicContact CD2-CB 4.11Å; L151-E268 HydrophobicContact CD2-CG 3.75Å; L151-K271 HydrophobicContact CB-CD 3.97Å; L151-K271 HydrophobicContact CD2-CB 4.02Å; L151-K271 HydrophobicContact CD2-CD 4.18Å; L151-K271 WeakPolarHBondContact O-CD 3.33Å; L151-K271 WeakPolarHBondContact O-CE 3.49Å; L151-K271 PolarHBondContact O-NZ 2.81Å |
| 152 | E | 85.8 | Confident | 87.4 | Confident | 34 Ų | 34 | 35 Ų | 35 | 16% | 0.159 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 13.9 | -169.3 | -64.7 | -61.4 | 107.7 | 0 | 0 | 115.1 | Y150 L274 S275 S299 K300 | Y150-E152 PolarHBondContact O-N 2.86Å; E152-L274 HydrophobicContact CG-CD2 4.26Å; E152-S275 WeakPolarHBondContact OE1-CB 3.24Å; E152-S299 WeakPolarHBondContact OE2-CA 3.42Å; E152-S299 VanDerWaalsContact OE2-CB 3.26Å; E152-S299 WeakPolarHBondContact OE2-CB 3.5Å; E152-K300 WeakPolarHBondContact O-CG 3.35Å; E152-K300 PolarHBondContact OE2-N 2.95Å |
| 153 | E | 86.2 | Confident | 85.7 | Confident | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.5 | 166.5 | -60.3 | 173.6 | 172.4 | 0 | 0 | 109.7 | I149 Y150 L151 R155 | I149-E153 WeakPolarHBondContact CA-O 3.25Å; Y150-E153 PolarHBondContact N-O 3.44Å; Y150-E153 VanDerWaalsContact N-O 3.08Å; Y150-E153 WeakPolarHBondContact O-CB 3.31Å; Y150-E153 PolarHBondContact O-N 2.66Å; L151-E153 PolarHBondContact O-N 2.85Å; E153-R155 IonicContact OE2-CZ 3.89Å; E153-R155 IonicContact OE2-NE 2.73Å; E153-R155 IonicContact OE2-NH2 2.99Å; E153-R155 PolarHBondContact OE2-NH2 3.41Å |
| 154 | I | 89.5 | Confident | 83.8 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.4 | 172.1 | -59.3 | 176.3 | 0 | 0 | 0 | 108.8 | L147 I149 L168 L170 V180 K300 L304 | L147-I154 HydrophobicContact CD1-CG2 4.38Å; L147-I154 HydrophobicContact CD2-CG2 4.33Å; I149-I154 HydrophobicContact CG1-CG1 4.5Å; I154-L168 HydrophobicContact CB-CB 4.24Å; I154-L168 HydrophobicContact CG2-CB 4.13Å; I154-L168 PolarHBondContact O-N 3.47Å; I154-L168 VanDerWaalsContact O-N 3.14Å; I154-L170 HydrophobicContact CD1-CD1 4.13Å; I154-L170 HydrophobicContact CD1-CD2 3.43Å; I154-L170 VanDerWaalsContact CD1-CD2 3.43Å; I154-L170 HydrophobicContact CD1-CG 3.58Å; I154-V180 HydrophobicContact CD1-CG2 4.28Å; I154-V180 HydrophobicContact CG2-CG1 4.01Å; I154-V180 HydrophobicContact CG2-CG2 4.42Å; I154-K300 HydrophobicContact CD1-CB 4.37Å; I154-K300 HydrophobicContact CG1-CB 4.47Å; I154-L304 HydrophobicContact CD1-CD1 4.03Å |
| 155 | R | 89 | Confident | 81.8 | Confident | 90 Ų | 90 | 45.7 Ų | 45.7 | 34% | 0.34 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.4 | 179.1 | -61.7 | 178.8 | -178.6 | -175.2 | -3.4 | 109.8 | L147 E148 E153 | L147-R155 CarbonylContact C-O 3.56Å; L147-R155 VanDerWaalsContact CA-O 3.29Å; L147-R155 WeakPolarHBondContact CA-O 3.38Å; L147-R155 WeakPolarHBondContact CB-O 3.46Å; E148-R155 PolarHBondContact N-O 2.88Å; E148-R155 PolarHBondContact O-N 3Å; E153-R155 IonicContact OE2-CZ 3.89Å; E153-R155 IonicContact OE2-NE 2.73Å; E153-R155 IonicContact OE2-NH2 2.99Å; E153-R155 PolarHBondContact OE2-NH2 3.41Å |
| 156 | D | 91.8 | Very high | 80.2 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127 | 169 | -164.2 | -26.8 | 0 | 0 | 0 | 108.9 | L158 D159 H162 L168 L183 T184 | D156-L158 WeakPolarHBondContact OD1-CA 3.3Å; D156-L158 WeakPolarHBondContact OD1-CB 3.5Å; D156-L158 PolarHBondContact OD1-N 3.45Å; D156-D159 HydrophobicContact CB-CB 3.98Å; D156-D159 PolarHBondContact OD1-N 3.02Å; D156-H162 WeakPolarHBondContact O-CB 3.3Å; D156-L168 HydrophobicContact CB-CD1 4.12Å; D156-L183 HydrophobicContact CB-CD1 4.2Å; D156-T184 WeakPolarHBondContact OD2-CA 3.26Å; D156-T184 WeakPolarHBondContact OD2-CB 3.49Å; D156-T184 PolarHBondContact OD2-N 2.8Å; D156-T184 PolarHBondContact OD2-OG1 2.76Å |
| 157 | L | 91.1 | Very high | 79 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -89.4 | -6.5 | 176.4 | -62.8 | 177.2 | 0 | 0 | 0 | 112.2 | Y146 E148 G201 A204 R205 | Y146-L157 HydrophobicContact CD1-CB 4.37Å; Y146-L157 HydrophobicContact CD1-CD1 4.09Å; Y146-L157 HydrophobicContact CD2-CD1 3.82Å; Y146-L157 HydrophobicContact CE1-CD1 4.07Å; Y146-L157 HydrophobicContact CE2-CD1 3.82Å; Y146-L157 HydrophobicContact CG-CB 4.29Å; Y146-L157 HydrophobicContact CG-CD1 3.95Å; Y146-L157 WeakPolarHBondContact O-CB 3.44Å; Y146-L157 PolarHBondContact O-N 3.45Å; E148-L157 HydrophobicContact CB-CD1 4.14Å; E148-L157 HydrophobicContact CB-CD2 3.98Å; E148-L157 HydrophobicContact CB-CG 4.11Å; L157-G201 WeakPolarHBondContact O-CA 3.24Å; L157-A204 HydrophobicContact CD2-CB 4.33Å; L157-R205 HydrophobicContact CD1-CB 4.33Å; L157-R205 HydrophobicContact CD2-CB 4.13Å |
| 158 | L | 90.8 | Very high | 78.5 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -105.7 | -16.1 | -178.9 | -52.2 | -177.6 | 0 | 0 | 0 | 113.1 | D156 P160 T184 V197 | D156-L158 WeakPolarHBondContact OD1-CA 3.3Å; D156-L158 WeakPolarHBondContact OD1-CB 3.5Å; D156-L158 PolarHBondContact OD1-N 3.45Å; L158-P160 WeakPolarHBondContact O-CD 3.41Å; L158-T184 HydrophobicContact CB-CG2 3.92Å; L158-V197 HydrophobicContact CD1-CG1 3.72Å; L158-V197 HydrophobicContact CD2-CG1 3.78Å; L158-V197 WeakPolarHBondContact CD2-O 3.36Å; L158-V197 HydrophobicContact CG-CG1 4.43Å |
| 159 | D | 86.1 | Confident | 78.2 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 13% | 0.134 | 34% | 0.338 | C | S | . | . | trans | -70.4 | 118.1 | 170.8 | 174.9 | 20.5 | 0 | 0 | 0 | 110.4 | D156 N161 H162 T165 | D156-D159 HydrophobicContact CB-CB 3.98Å; D156-D159 PolarHBondContact OD1-N 3.02Å; D159-N161 PolarHBondContact O-N 2.74Å; D159-N161 VanDerWaalsContact O-N 3.1Å; D159-N161 WeakPolarHBondContact OD1-CB 3.4Å; D159-N161 PolarHBondContact OD1-N 3.49Å; D159-N161 PolarHBondContact OD1-ND2 3.02Å; D159-H162 HydrophobicContact CB-CB 4.49Å; D159-H162 WeakPolarHBondContact O-CB 3.03Å; D159-H162 PolarHBondContact O-N 2.79Å; D159-H162 PolarHBondContact O-ND1 3.33Å; D159-H162 PolarHBondContact OD2-N 3.31Å; D159-T165 PolarHBondContact OD2-OG1 3.04Å | ||
| 160 | P | 73.9 | Confident | 78.1 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 77% | 0.766 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -11 | 175 | 27.6 | -34.8 | 0 | 0 | 0 | 113.7 | L158 | L158-P160 WeakPolarHBondContact O-CD 3.41Š|
| 161 | N | 69.4 | Low | 78.2 | Confident | 97 Ų | 97 | 67 Ų | 67 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 6.6 | 178.8 | -50.2 | -85.2 | 0 | 0 | 0 | 114 | D159 G163 N164 T165 | D159-N161 PolarHBondContact O-N 2.74Å; D159-N161 VanDerWaalsContact O-N 3.1Å; D159-N161 WeakPolarHBondContact OD1-CB 3.4Å; D159-N161 PolarHBondContact OD1-N 3.49Å; D159-N161 PolarHBondContact OD1-ND2 3.02Å; N161-G163 PolarHBondContact O-N 3.49Å; N161-N164 PolarHBondContact O-N 2.94Å; N161-T165 PolarHBondContact O-N 3.27Å; N161-T165 PolarHBondContact O-OG1 2.75Å |
| 162 | H | 66.6 | Low | 78.3 | Confident | 80 Ų | 80 | 69 Ų | 69 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -29.9 | -170.1 | 57.9 | -92.2 | 0 | 0 | 0 | 116.1 | D156 D159 N164 | D156-H162 WeakPolarHBondContact O-CB 3.3Å; D159-H162 HydrophobicContact CB-CB 4.49Å; D159-H162 WeakPolarHBondContact O-CB 3.03Å; D159-H162 PolarHBondContact O-N 2.79Å; D159-H162 PolarHBondContact O-ND1 3.33Å; D159-H162 PolarHBondContact OD2-N 3.31Å; H162-N164 VanDerWaalsContact C-N 3.31Å; H162-N164 PolarHBondContact O-N 3.03Å |
| 163 | G | 59.1 | Low | 77.8 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -12.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N161 | N161-G163 PolarHBondContact O-N 3.49Š|
| 164 | N | 53.5 | Low | 77 | Confident | 156 Ų | 156 | 71.7 Ų | 71.7 | 83% | 0.834 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -14.2 | 176.1 | -71 | -60.4 | 0 | 0 | 0 | 113.2 | N161 H162 | N161-N164 PolarHBondContact O-N 2.94Å; H162-N164 VanDerWaalsContact C-N 3.31Å; H162-N164 PolarHBondContact O-N 3.03Å |
| 165 | T | 55.1 | Low | 75.9 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -73.5 | 142.4 | -176.8 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | D159 N161 | D159-T165 PolarHBondContact OD2-OG1 3.04Å; N161-T165 PolarHBondContact O-N 3.27Å; N161-T165 PolarHBondContact O-OG1 2.75Å |
| 166 | R | 61.1 | Low | 74.8 | Confident | 229 Ų | 229 | 79.3 Ų | 79.3 | 86% | 0.864 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 143 | 172.7 | -67.5 | -179.2 | 179.1 | 176.2 | -0.1 | 109 | L168 | R166-L168 PolarHBondContact O-N 3.23Š|
| 167 | G | 69.7 | Low | 74.1 | Confident | 51 Ų | 51 | 79.7 Ų | 79.7 | 53% | 0.526 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 136.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 168 | L | 84.3 | Confident | 73.8 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 15% | 0.147 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 137.8 | -170.2 | -59.5 | -178 | 0 | 0 | 0 | 112.4 | I154 D156 R166 V180 L183 | I154-L168 HydrophobicContact CB-CB 4.24Å; I154-L168 HydrophobicContact CG2-CB 4.13Å; I154-L168 PolarHBondContact O-N 3.47Å; I154-L168 VanDerWaalsContact O-N 3.14Å; D156-L168 HydrophobicContact CB-CD1 4.12Å; R166-L168 PolarHBondContact O-N 3.23Å; L168-V180 HydrophobicContact CB-CG1 3.47Å; L168-V180 VanDerWaalsContact CB-CG1 3.47Å; L168-V180 HydrophobicContact CD1-CG1 3.67Å; L168-V180 HydrophobicContact CG-CG1 4.22Å; L168-L183 HydrophobicContact CD1-CB 4.25Å; L168-L183 HydrophobicContact CD1-CD1 4.02Å |
| 169 | E | 85.1 | Confident | 73.6 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 150.1 | -180 | -66.5 | -178.2 | 170.3 | 0 | 0 | 112.2 | R171 Q181 | E169-R171 IonicContact OE2-CZ 2.69Å; E169-R171 IonicContact OE2-NE 2.7Å; E169-R171 IonicContact OE2-NH2 3.07Å; E169-R171 PolarHBondContact OE2-NH2 2.84Å; E169-Q181 PolarHBondContact O-N 2.82Å |
| 170 | L | 87.9 | Confident | 73.8 | Confident | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.1 | 173.3 | -74 | -175.2 | 0 | 0 | 0 | 111.2 | I154 V178 V180 K300 R303 L304 | I154-L170 HydrophobicContact CD1-CD1 4.13Å; I154-L170 HydrophobicContact CD1-CD2 3.43Å; I154-L170 VanDerWaalsContact CD1-CD2 3.43Å; I154-L170 HydrophobicContact CD1-CG 3.58Å; L170-V178 HydrophobicContact CD2-CG1 4.34Å; L170-V180 HydrophobicContact CD2-CB 4.46Å; L170-V180 HydrophobicContact CD2-CG2 3.81Å; L170-K300 HydrophobicContact CD1-CB 3.87Å; L170-K300 HydrophobicContact CD1-CD 3.86Å; L170-K300 HydrophobicContact CD1-CG 4.4Å; L170-K300 HydrophobicContact CG-CD 4.32Å; L170-R303 HydrophobicContact CD1-CB 3.67Å; L170-R303 HydrophobicContact CD1-CG 4.46Å; L170-R303 PolarHBondContact O-NH2 2.94Å; L170-L304 HydrophobicContact CD1-CG 4.24Å; L170-L304 HydrophobicContact CD2-CD1 4.11Å; L170-L304 HydrophobicContact CD2-CD2 3.7Å; L170-L304 HydrophobicContact CD2-CG 3.76Å |
| 171 | R | 86.3 | Confident | 74.3 | Confident | 113 Ų | 113 | 79.1 Ų | 79.1 | 43% | 0.426 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 154.7 | 177.6 | -64.2 | -166.3 | 174.8 | -172 | 3.8 | 111.8 | E169 V178 Y179 | E169-R171 IonicContact OE2-CZ 2.69Å; E169-R171 IonicContact OE2-NE 2.7Å; E169-R171 IonicContact OE2-NH2 3.07Å; E169-R171 PolarHBondContact OE2-NH2 2.84Å; R171-V178 WeakPolarHBondContact O-CA 3.17Å; R171-Y179 HydrophobicContact CB-CD1 4.35Å; R171-Y179 HydrophobicContact CB-CE1 3.72Å; R171-Y179 HydrophobicContact CB-CE2 4.34Å; R171-Y179 PolarHBondContact N-O 3.48Å; R171-Y179 WeakPolarHBondContact O-CD1 3.09Å; R171-Y179 PolarHBondContact O-N 3.18Å |
| 172 | E | 81.7 | Confident | 75 | Confident | 82 Ų | 82 | 80.6 Ų | 80.6 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.1 | -179.1 | -83 | 157.8 | -135.9 | 0 | 0 | 108.6 | V178 R297 R303 | E172-V178 HydrophobicContact CG-CG2 3.86Å; E172-R297 IonicContact OE1-NE 2.72Å; E172-R297 IonicContact OE1-NH2 3.38Å; E172-R297 PolarHBondContact OE1-NH2 3.12Å; E172-R297 IonicContact OE2-CZ 3.7Å; E172-R297 IonicContact OE2-NH2 3.69Å; E172-R297 PolarHBondContact OE2-NH2 2.87Å; E172-R303 IonicContact OE1-CZ 3.82Å; E172-R303 IonicContact OE1-NE 2.94Å; E172-R303 PolarHBondContact OE1-NE 3.44Å; E172-R303 IonicContact OE1-NH2 3.78Å; E172-R303 PolarHBondContact OE1-NH2 2.74Å |
| 173 | S | 75.9 | Confident | 76.1 | Confident | 35 Ų | 35 | 78.3 Ų | 78.3 | 25% | 0.245 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.8 | 177.7 | 165.8 | 0 | 0 | 0 | 0 | 110.1 | E175 T176 G177 | S173-E175 PolarHBondContact O-N 3.24Å; S173-E175 VanDerWaalsContact O-N 3.15Å; S173-E175 PolarHBondContact OG-N 2.74Å; S173-T176 WeakPolarHBondContact CB-OG1 3.46Å; S173-T176 PolarHBondContact OG-N 2.77Å; S173-T176 PolarHBondContact OG-OG1 2.8Å; S173-G177 PolarHBondContact N-O 3.49Å; S173-G177 WeakPolarHBondContact O-CA 3.27Å; S173-G177 PolarHBondContact O-N 3.01Å |
| 174 | P | 70.2 | Confident | 77.6 | Confident | 142 Ų | 142 | 77.4 Ų | 77.4 | 92% | 0.922 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.4 | 177.1 | -24.8 | 34.8 | 0 | 0 | 0 | 114.8 | ||
| 175 | E | 65.8 | Low | 79.4 | Confident | 179 Ų | 179 | 72.6 Ų | 72.6 | 84% | 0.836 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -35.6 | -176 | -62.5 | -175.4 | 159.5 | 0 | 0 | 113 | S173 | S173-E175 PolarHBondContact O-N 3.24Å; S173-E175 VanDerWaalsContact O-N 3.15Å; S173-E175 PolarHBondContact OG-N 2.74Å |
| 176 | T | 66.3 | Low | 81.1 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -0.1 | -173.2 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | S173 R244 | S173-T176 WeakPolarHBondContact CB-OG1 3.46Å; S173-T176 PolarHBondContact OG-N 2.77Å; S173-T176 PolarHBondContact OG-OG1 2.8Å; T176-R244 PolarHBondContact O-NH1 3.34Å |
| 177 | G | 76.5 | Confident | 82.6 | Confident | 21 Ų | 21 | 64 Ų | 64 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.8 | -146.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S173 | S173-G177 PolarHBondContact N-O 3.49Å; S173-G177 WeakPolarHBondContact O-CA 3.27Å; S173-G177 PolarHBondContact O-N 3.01Å |
| 178 | V | 85.2 | Confident | 83.7 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.6 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | L170 R171 E172 R303 L304 Q306 | L170-V178 HydrophobicContact CD2-CG1 4.34Å; R171-V178 WeakPolarHBondContact O-CA 3.17Å; E172-V178 HydrophobicContact CG-CG2 3.86Å; V178-R303 HydrophobicContact CG1-CB 4.31Å; V178-R303 WeakPolarHBondContact CG2-O 3.28Å; V178-L304 HydrophobicContact CG1-CD2 4.44Å; V178-Q306 HydrophobicContact CG2-CB 4.47Å |
| 179 | Y | 86.9 | Confident | 83.9 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 156.6 | 175.1 | 72.4 | -78 | 0 | 0 | 0 | 112 | R171 | R171-Y179 HydrophobicContact CB-CD1 4.35Å; R171-Y179 HydrophobicContact CB-CE1 3.72Å; R171-Y179 HydrophobicContact CB-CE2 4.34Å; R171-Y179 PolarHBondContact N-O 3.48Å; R171-Y179 WeakPolarHBondContact O-CD1 3.09Å; R171-Y179 PolarHBondContact O-N 3.18Å |
| 180 | V | 89.4 | Confident | 84.2 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 9% | 0.085 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.1 | 172.5 | -171.1 | 0 | 0 | 0 | 0 | 108.2 | L147 I154 L168 L170 L183 L304 | L147-V180 HydrophobicContact CD2-CG2 3.79Å; I154-V180 HydrophobicContact CD1-CG2 4.28Å; I154-V180 HydrophobicContact CG2-CG1 4.01Å; I154-V180 HydrophobicContact CG2-CG2 4.42Å; L168-V180 HydrophobicContact CB-CG1 3.47Å; L168-V180 VanDerWaalsContact CB-CG1 3.47Å; L168-V180 HydrophobicContact CD1-CG1 3.67Å; L168-V180 HydrophobicContact CG-CG1 4.22Å; L170-V180 HydrophobicContact CD2-CB 4.46Å; L170-V180 HydrophobicContact CD2-CG2 3.81Å; V180-L183 HydrophobicContact CB-CB 3.98Å; V180-L183 HydrophobicContact CB-CD2 4.15Å; V180-L183 HydrophobicContact CG1-CB 4.03Å; V180-L183 HydrophobicContact CG2-CD2 4.33Å; V180-L304 HydrophobicContact CG2-CD1 4.38Å; V180-L304 HydrophobicContact CG2-CD2 3.8Å |
| 181 | Q | 84.7 | Confident | 84.4 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 143.7 | 173.5 | -162.8 | -160.4 | -42.1 | 0 | 0 | 110.5 | E169 L183 | E169-Q181 PolarHBondContact O-N 2.82Å; Q181-L183 PolarHBondContact O-N 3.48Å |
| 182 | D | 85.1 | Confident | 84.7 | Confident | 127 Ų | 127 | 70.5 Ų | 70.5 | 68% | 0.679 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 18.4 | 171.7 | -54.2 | -24.8 | 0 | 0 | 0 | 115.9 | ||
| 183 | L | 89.5 | Confident | 85.4 | Confident | 33 Ų | 33 | 69.4 Ų | 69.4 | 17% | 0.173 | 37% | 0.374 | C | S | . | . | trans | -67.2 | 131.4 | 172.9 | -179.8 | 69.8 | 0 | 0 | 0 | 111.6 | L147 D156 L168 V180 Q181 L224 | L147-L183 HydrophobicContact CB-CD1 4.02Å; L147-L183 HydrophobicContact CD2-CD1 4.28Å; L147-L183 HydrophobicContact CD2-CD2 3.86Å; D156-L183 HydrophobicContact CB-CD1 4.2Å; L168-L183 HydrophobicContact CD1-CB 4.25Å; L168-L183 HydrophobicContact CD1-CD1 4.02Å; V180-L183 HydrophobicContact CB-CB 3.98Å; V180-L183 HydrophobicContact CB-CD2 4.15Å; V180-L183 HydrophobicContact CG1-CB 4.03Å; V180-L183 HydrophobicContact CG2-CD2 4.33Å; Q181-L183 PolarHBondContact O-N 3.48Å; L183-L224 HydrophobicContact CD2-CD1 4.03Å | ||
| 184 | T | 90.2 | Very high | 86.3 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | trans | -63.4 | 134.9 | 179.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | S145 D156 L158 | S145-T184 WeakPolarHBondContact CB-O 3.17Å; S145-T184 PolarHBondContact OG-O 2.98Å; D156-T184 WeakPolarHBondContact OD2-CA 3.26Å; D156-T184 WeakPolarHBondContact OD2-CB 3.49Å; D156-T184 PolarHBondContact OD2-N 2.8Å; D156-T184 PolarHBondContact OD2-OG1 2.76Å; L158-T184 HydrophobicContact CB-CG2 3.92Å | ||
| 185 | S | 90.2 | Very high | 87.4 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 39% | 0.392 | 33% | 0.33 | S | S | . | . | trans | -132.8 | 98.1 | -177.4 | 152.6 | 0 | 0 | 0 | 0 | 110.4 | R143 A144 S145 | R143-S185 WeakPolarHBondContact CD-OG 3.24Å; A144-S185 CarbonylContact O-C 3.47Å; S145-S185 WeakPolarHBondContact OG-CA 3.38Å | ||
| 186 | C | 91.9 | Very high | 88.7 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125 | -179.6 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | R143 A144 C188 V197 | R143-C186 CarbonylContact C-O 3.58Å; R143-C186 VanDerWaalsContact CA-O 3.32Å; R143-C186 WeakPolarHBondContact CA-O 3.46Å; A144-C186 PolarHBondContact N-O 3.27Å; A144-C186 PolarHBondContact O-N 2.99Å; C186-C188 PolarHBondContact O-N 3.49Å; C186-C188 PolarHBondContact O-SG 2.89Å; C186-V197 HydrophobicContact CB-CG1 4.36Å; C186-V197 HydrophobicContact CB-CG2 3.64Å |
| 187 | V | 93 | Very high | 90 | Very high | 75 Ų | 75 | 58 Ų | 58 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.6 | 170.5 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | L141 R143 | L141-V187 HydrophobicContact CD1-CG1 3.61Å; L141-V187 HydrophobicContact CD1-CG2 4.35Å; R143-V187 HydrophobicContact CG-CG2 4.07Å |
| 188 | C | 92 | Very high | 90.8 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.027 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.3 | -178.3 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | F128 V142 C186 E193 I194 | F128-C188 HydrophobicContact CZ-CB 4.07Å; V142-C188 PolarHBondContact O-N 2.84Å; C186-C188 PolarHBondContact O-N 3.49Å; C186-C188 PolarHBondContact O-SG 2.89Å; C188-E193 HydrophobicContact CB-CB 4.31Å; C188-I194 HydrophobicContact CB-CB 4Å |
| 189 | K | 88.4 | Confident | 91.1 | Very high | 167 Ų | 167 | 59.7 Ų | 59.7 | 73% | 0.726 | 31% | 0.305 | S | S | * | . | trans | -102.1 | -14.4 | -179.2 | -53.9 | 165.1 | -172.2 | 165.6 | 0 | 113.1 | F128 E193 | F128-K189 VanDerWaalsContact CE1-C 3.48Å; K189-E193 WeakPolarHBondContact CB-OE2 3.49Å; K189-E193 PolarHBondContact N-OE2 3.35Å | ||
| 190 | S | 91.8 | Very high | 91.3 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -144.4 | 164.4 | -178 | 67.4 | 0 | 0 | 0 | 0 | 112 | K192 E193 I194 | S190-K192 VanDerWaalsContact C-N 3.25Å; S190-K192 PolarHBondContact O-N 3.06Å; S190-E193 WeakPolarHBondContact CB-OE1 3.27Å; S190-E193 PolarHBondContact N-OE1 3Å; S190-E193 PolarHBondContact O-N 3.33Å; S190-E193 WeakPolarHBondContact OG-CG 3.35Å; S190-E193 PolarHBondContact OG-N 2.62Å; S190-E193 PolarHBondContact OG-OE1 3.01Å; S190-I194 PolarHBondContact O-N 2.82Å |
| 191 | I | 92.6 | Very high | 91.4 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 27% | 0.272 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.8 | -42.9 | 174.7 | -61.5 | 169.8 | 0 | 0 | 0 | 110.4 | F124 F128 E193 I194 E195 | F124-I191 HydrophobicContact CB-CG2 4.45Å; F128-I191 HydrophobicContact CB-CD1 4.15Å; F128-I191 HydrophobicContact CB-CG1 3.56Å; F128-I191 HydrophobicContact CD2-CG1 3.86Å; F128-I191 HydrophobicContact CG-CG1 3.92Å; I191-E193 PolarHBondContact O-N 2.69Å; I191-I194 WeakPolarHBondContact O-CG2 3.47Å; I191-I194 PolarHBondContact O-N 3.36Å; I191-E195 HydrophobicContact CG2-CG 4.19Å; I191-E195 WeakPolarHBondContact O-CG 3.45Å; I191-E195 PolarHBondContact O-N 2.78Å |
| 192 | K | 92.8 | Very high | 91.6 | Very high | 148 Ų | 148 | 58.1 Ų | 58.1 | 64% | 0.643 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | -179.8 | -65.3 | -174.2 | 176.9 | -175 | 0 | 112.8 | S190 I194 E195 E196 | S190-K192 VanDerWaalsContact C-N 3.25Å; S190-K192 PolarHBondContact O-N 3.06Å; K192-I194 VanDerWaalsContact C-N 3.35Å; K192-I194 PolarHBondContact O-N 3.11Å; K192-E195 PolarHBondContact O-N 3.3Å; K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 VanDerWaalsContact O-CG 3.29Å; K192-E196 WeakPolarHBondContact O-CG 3.43Å; K192-E196 PolarHBondContact O-N 3.05Å |
| 193 | E | 94.4 | Very high | 91.6 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 178.1 | -74.1 | 157.3 | -110.6 | 0 | 0 | 112.2 | C188 K189 S190 I191 E196 V197 | C188-E193 HydrophobicContact CB-CB 4.31Å; K189-E193 WeakPolarHBondContact CB-OE2 3.49Å; K189-E193 PolarHBondContact N-OE2 3.35Å; S190-E193 WeakPolarHBondContact CB-OE1 3.27Å; S190-E193 PolarHBondContact N-OE1 3Å; S190-E193 PolarHBondContact O-N 3.33Å; S190-E193 WeakPolarHBondContact OG-CG 3.35Å; S190-E193 PolarHBondContact OG-N 2.62Å; S190-E193 PolarHBondContact OG-OE1 3.01Å; I191-E193 PolarHBondContact O-N 2.69Å; E193-E196 PolarHBondContact O-N 3.09Å; E193-V197 VanDerWaalsContact O-CG2 3.3Å; E193-V197 WeakPolarHBondContact O-CG2 3.19Å; E193-V197 PolarHBondContact O-N 3.21Å |
| 194 | I | 95.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.5 | -30.4 | 178.3 | -162.9 | 163.7 | 0 | 0 | 0 | 112.5 | F124 F128 V142 A144 C188 S190 I191 K192 M198 F223 I225 | F124-I194 HydrophobicContact CB-CG2 3.93Å; F124-I194 HydrophobicContact CD1-CD1 3.9Å; F124-I194 HydrophobicContact CD1-CG1 4.15Å; F124-I194 HydrophobicContact CD1-CG2 4.1Å; F124-I194 HydrophobicContact CD2-CG2 3.65Å; F124-I194 HydrophobicContact CE1-CD1 3.81Å; F124-I194 HydrophobicContact CE1-CG1 3.85Å; F124-I194 HydrophobicContact CE2-CG1 4.22Å; F124-I194 HydrophobicContact CE2-CG2 4.11Å; F124-I194 HydrophobicContact CG-CG1 4.48Å; F124-I194 HydrophobicContact CG-CG2 3.64Å; F124-I194 HydrophobicContact CZ-CD1 4.37Å; F124-I194 HydrophobicContact CZ-CG1 3.88Å; F128-I194 HydrophobicContact CD2-CG2 4.32Å; F128-I194 HydrophobicContact CE2-CB 4.26Å; F128-I194 HydrophobicContact CE2-CD1 4.43Å; F128-I194 HydrophobicContact CE2-CG2 3.68Å; V142-I194 HydrophobicContact CG1-CD1 4.49Å; A144-I194 HydrophobicContact CB-CD1 4Å; A144-I194 HydrophobicContact CB-CG1 4.03Å; C188-I194 HydrophobicContact CB-CB 4Å; S190-I194 PolarHBondContact O-N 2.82Å; I191-I194 WeakPolarHBondContact O-CG2 3.47Å; I191-I194 PolarHBondContact O-N 3.36Å; K192-I194 VanDerWaalsContact C-N 3.35Å; K192-I194 PolarHBondContact O-N 3.11Å; I194-M198 PolarHBondContact O-N 3.15Å; I194-F223 HydrophobicContact CD1-CE1 4.07Å; I194-F223 HydrophobicContact CD1-CZ 4.37Å; I194-F223 HydrophobicContact CG1-CE1 4.03Å; I194-F223 HydrophobicContact CG1-CZ 3.84Å; I194-I225 HydrophobicContact CD1-CD1 3.97Å; I194-I225 HydrophobicContact CD1-CG1 4.33Å; I194-I225 HydrophobicContact CD1-CG2 4.3Å |
| 195 | E | 93.4 | Very high | 91 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 169 | -71.8 | 179.9 | 141.1 | 0 | 0 | 111.6 | W111 F124 I191 K192 M198 N199 | W111-E195 HydrophobicContact CZ3-CG 4.06Å; F124-E195 HydrophobicContact CD2-CG 3.92Å; F124-E195 HydrophobicContact CE2-CG 4.28Å; I191-E195 HydrophobicContact CG2-CG 4.19Å; I191-E195 WeakPolarHBondContact O-CG 3.45Å; I191-E195 PolarHBondContact O-N 2.78Å; K192-E195 PolarHBondContact O-N 3.3Å; E195-M198 PolarHBondContact O-N 3.27Å; E195-N199 WeakPolarHBondContact O-CB 3.29Å; E195-N199 VanDerWaalsContact O-CG 3.23Å; E195-N199 PolarHBondContact O-N 3.3Å; E195-N199 PolarHBondContact O-ND2 2.78Å |
| 196 | E | 92.9 | Very high | 90.2 | Very high | 119 Ų | 119 | 56.3 Ų | 56.3 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 174.4 | -76.9 | 168.8 | -158.4 | 0 | 0 | 111.4 | K192 E193 M198 N199 V200 | K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 VanDerWaalsContact O-CG 3.29Å; K192-E196 WeakPolarHBondContact O-CG 3.43Å; K192-E196 PolarHBondContact O-N 3.05Å; E193-E196 PolarHBondContact O-N 3.09Å; E196-M198 VanDerWaalsContact C-N 3.33Å; E196-M198 PolarHBondContact O-N 2.99Å; E196-N199 PolarHBondContact O-N 3.02Å; E196-N199 VanDerWaalsContact O-N 3.17Å; E196-V200 WeakPolarHBondContact O-CG2 3.3Å; E196-V200 PolarHBondContact O-N 2.89Å |
| 197 | V | 94.4 | Very high | 88.9 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.3 | -45.1 | 173.4 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | A144 L158 C186 E193 G201 F223 | A144-V197 HydrophobicContact CB-CG1 4.12Å; L158-V197 HydrophobicContact CD1-CG1 3.72Å; L158-V197 HydrophobicContact CD2-CG1 3.78Å; L158-V197 WeakPolarHBondContact CD2-O 3.36Å; L158-V197 HydrophobicContact CG-CG1 4.43Å; C186-V197 HydrophobicContact CB-CG1 4.36Å; C186-V197 HydrophobicContact CB-CG2 3.64Å; E193-V197 VanDerWaalsContact O-CG2 3.3Å; E193-V197 WeakPolarHBondContact O-CG2 3.19Å; E193-V197 PolarHBondContact O-N 3.21Å; V197-G201 PolarHBondContact O-N 3.43Å; V197-F223 HydrophobicContact CG1-CE2 4.36Å; V197-F223 HydrophobicContact CG1-CZ 4.38Å |
| 198 | M | 93.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 177.5 | -162.1 | -177.9 | 176.6 | 0 | 0 | 112.2 | Q108 W111 I120 F124 Y146 I194 E195 E196 G201 N202 F223 | Q108-M198 HydrophobicContact CG-CE 4.27Å; W111-M198 HydrophobicContact CH2-SD 3.54Å; W111-M198 VanDerWaalsContact CH2-SD 3.54Å; W111-M198 HydrophobicContact CZ2-CE 4.13Å; W111-M198 HydrophobicContact CZ2-CG 4.49Å; W111-M198 HydrophobicContact CZ2-SD 3.45Å; W111-M198 WeakPolarHBondContact CZ2-SD 3.3Å; I120-M198 HydrophobicContact CB-SD 4.48Å; I120-M198 HydrophobicContact CD1-CE 3.69Å; I120-M198 HydrophobicContact CG2-CE 4.03Å; I120-M198 HydrophobicContact CG2-SD 3.54Å; I120-M198 VanDerWaalsContact CG2-SD 3.54Å; F124-M198 HydrophobicContact CE2-CB 4.3Å; F124-M198 HydrophobicContact CE2-SD 4.12Å; F124-M198 HydrophobicContact CZ-CB 4.27Å; F124-M198 HydrophobicContact CZ-SD 3.9Å; Y146-M198 HydrophobicContact CD1-CG 4.37Å; Y146-M198 HydrophobicContact CE1-CG 3.95Å; I194-M198 PolarHBondContact O-N 3.15Å; E195-M198 PolarHBondContact O-N 3.27Å; E196-M198 VanDerWaalsContact C-N 3.33Å; E196-M198 PolarHBondContact O-N 2.99Å; M198-G201 PolarHBondContact O-N 3.5Å; M198-N202 WeakPolarHBondContact O-CB 3.42Å; M198-N202 PolarHBondContact O-N 3Å; M198-N202 PolarHBondContact O-ND2 2.98Å; M198-F223 HydrophobicContact CB-CD2 4.3Å; M198-F223 HydrophobicContact CB-CE2 3.6Å; M198-F223 HydrophobicContact CB-CZ 4.13Å; M198-F223 HydrophobicContact CG-CD2 3.84Å; M198-F223 HydrophobicContact CG-CE2 3.66Å; M198-F223 HydrophobicContact CG-CZ 4.48Å; M198-F223 HydrophobicContact SD-CD2 4.42Å; M198-F223 HydrophobicContact SD-CE2 4.49Å |
| 199 | N | 91.8 | Very high | 85.2 | Confident | 64 Ų | 64 | 58.4 Ų | 58.4 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 177.3 | -77.5 | -41.7 | 0 | 0 | 0 | 112.4 | E195 E196 N202 Q203 | E195-N199 WeakPolarHBondContact O-CB 3.29Å; E195-N199 VanDerWaalsContact O-CG 3.23Å; E195-N199 PolarHBondContact O-N 3.3Å; E195-N199 PolarHBondContact O-ND2 2.78Å; E196-N199 PolarHBondContact O-N 3.02Å; E196-N199 VanDerWaalsContact O-N 3.17Å; N199-N202 PolarHBondContact O-N 3.22Å; N199-Q203 VanDerWaalsContact O-CG 3.31Å; N199-Q203 WeakPolarHBondContact O-CG 3.08Å; N199-Q203 PolarHBondContact O-N 2.79Å |
| 200 | V | 91.6 | Very high | 83.2 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 172.5 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | E196 N202 Q203 A204 | E196-V200 WeakPolarHBondContact O-CG2 3.3Å; E196-V200 PolarHBondContact O-N 2.89Å; V200-N202 VanDerWaalsContact C-N 3.34Å; V200-N202 PolarHBondContact O-N 3.4Å; V200-Q203 WeakPolarHBondContact O-CB 3.35Å; V200-Q203 PolarHBondContact O-N 3.45Å; V200-Q203 VanDerWaalsContact O-N 3.1Å; V200-A204 PolarHBondContact O-N 2.79Å |
| 201 | G | 90.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.5 | -31.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L157 V197 M198 Q203 A204 R205 | L157-G201 WeakPolarHBondContact O-CA 3.24Å; V197-G201 PolarHBondContact O-N 3.43Å; M198-G201 PolarHBondContact O-N 3.5Å; G201-Q203 VanDerWaalsContact C-N 3.33Å; G201-A204 PolarHBondContact O-N 3.4Å; G201-R205 WeakPolarHBondContact O-CB 3.37Å; G201-R205 PolarHBondContact O-N 2.87Å |
| 202 | N | 88.4 | Confident | 78.3 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 170.8 | -71.2 | -41.2 | 0 | 0 | 0 | 112 | Q108 Y146 M198 N199 V200 A206 | Q108-N202 PolarHBondContact NE2-ND2 2.84Å; Q108-N202 PolarHBondContact NE2-OD1 2.89Å; Y146-N202 PolarHBondContact OH-OD1 3.39Å; Y146-N202 VanDerWaalsContact OH-OD1 3.08Å; M198-N202 WeakPolarHBondContact O-CB 3.42Å; M198-N202 PolarHBondContact O-N 3Å; M198-N202 PolarHBondContact O-ND2 2.98Å; N199-N202 PolarHBondContact O-N 3.22Å; V200-N202 VanDerWaalsContact C-N 3.34Å; V200-N202 PolarHBondContact O-N 3.4Å; N202-A206 VanDerWaalsContact O-CB 3.27Å; N202-A206 WeakPolarHBondContact O-CB 3.34Å; N202-A206 PolarHBondContact O-N 3.44Å |
| 203 | Q | 86.4 | Confident | 76.1 | Confident | 132 Ų | 132 | 59.9 Ų | 59.9 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.6 | -44.6 | 175.5 | -71.8 | 171.4 | 26.7 | 0 | 0 | 111.4 | N199 V200 G201 R205 A206 V207 | N199-Q203 VanDerWaalsContact O-CG 3.31Å; N199-Q203 WeakPolarHBondContact O-CG 3.08Å; N199-Q203 PolarHBondContact O-N 2.79Å; V200-Q203 WeakPolarHBondContact O-CB 3.35Å; V200-Q203 PolarHBondContact O-N 3.45Å; V200-Q203 VanDerWaalsContact O-N 3.1Å; G201-Q203 VanDerWaalsContact C-N 3.33Å; Q203-R205 VanDerWaalsContact C-N 3.35Å; Q203-R205 PolarHBondContact O-N 3.36Å; Q203-A206 PolarHBondContact O-N 2.98Å; Q203-A206 VanDerWaalsContact O-N 3.16Å; Q203-V207 WeakPolarHBondContact O-CG2 3.4Å; Q203-V207 PolarHBondContact O-N 3.33Å |
| 204 | A | 83.9 | Confident | 74.3 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56.8 | -48 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L157 V200 G201 A206 V207 G208 | L157-A204 HydrophobicContact CD2-CB 4.33Å; V200-A204 PolarHBondContact O-N 2.79Å; G201-A204 PolarHBondContact O-N 3.4Å; A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 2.87Å; A204-V207 PolarHBondContact O-N 2.81Å; A204-G208 PolarHBondContact O-N 3.45Å |
| 205 | R | 83 | Confident | 72.6 | Confident | 23 Ų | 23 | 64 Ų | 64 | 9% | 0.087 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -36.3 | 175.8 | -165.3 | 175.5 | -170.5 | -150.9 | 1.7 | 113 | E148 L157 G201 Q203 A209 S219 | E148-R205 WeakPolarHBondContact OE1-CD 3.29Å; E148-R205 VanDerWaalsContact OE1-CG 3.29Å; E148-R205 WeakPolarHBondContact OE1-CG 3.36Å; E148-R205 IonicContact OE1-CZ 2.82Å; E148-R205 IonicContact OE1-NE 3.26Å; E148-R205 PolarHBondContact OE1-NE 3.33Å; E148-R205 IonicContact OE1-NH2 2.7Å; L157-R205 HydrophobicContact CD1-CB 4.33Å; L157-R205 HydrophobicContact CD2-CB 4.13Å; G201-R205 WeakPolarHBondContact O-CB 3.37Å; G201-R205 PolarHBondContact O-N 2.87Å; Q203-R205 VanDerWaalsContact C-N 3.35Å; Q203-R205 PolarHBondContact O-N 3.36Å; R205-A209 PolarHBondContact O-N 3.04Å; R205-S219 PolarHBondContact NH2-O 3.34Å; R205-S219 PolarHBondContact NH2-OG 3.3Å |
| 206 | A | 72.7 | Confident | 71.3 | Confident | 57 Ų | 57 | 64.3 Ų | 64.3 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.2 | -35.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N202 Q203 A204 A209 | N202-A206 VanDerWaalsContact O-CB 3.27Å; N202-A206 WeakPolarHBondContact O-CB 3.34Å; N202-A206 PolarHBondContact O-N 3.44Å; Q203-A206 PolarHBondContact O-N 2.98Å; Q203-A206 VanDerWaalsContact O-N 3.16Å; A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 2.87Å; A206-A209 WeakPolarHBondContact O-CB 3.37Å; A206-A209 PolarHBondContact O-N 3.32Å; A206-A209 VanDerWaalsContact O-N 3.11Å |
| 207 | V | 64.3 | Low | 70.2 | Confident | 94 Ų | 94 | 59.5 Ų | 59.5 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62 | -44.8 | 174 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | Q203 A204 A209 T210 | Q203-V207 WeakPolarHBondContact O-CG2 3.4Å; Q203-V207 PolarHBondContact O-N 3.33Å; A204-V207 PolarHBondContact O-N 2.81Å; V207-A209 PolarHBondContact O-N 2.84Å; V207-A209 VanDerWaalsContact O-N 3.13Å; V207-T210 PolarHBondContact O-N 2.81Å; V207-T210 PolarHBondContact O-OG1 3.05Å |
| 208 | G | 56.3 | Low | 69.4 | Low | 35 Ų | 35 | 61.6 Ų | 61.6 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A204 | A204-G208 PolarHBondContact O-N 3.45Š|
| 209 | A | 52.5 | Low | 69 | Low | 34 Ų | 34 | 61.5 Ų | 61.5 | 28% | 0.281 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R205 A206 V207 D211 H215 | R205-A209 PolarHBondContact O-N 3.04Å; A206-A209 WeakPolarHBondContact O-CB 3.37Å; A206-A209 PolarHBondContact O-N 3.32Å; A206-A209 VanDerWaalsContact O-N 3.11Å; V207-A209 PolarHBondContact O-N 2.84Å; V207-A209 VanDerWaalsContact O-N 3.13Å; A209-D211 VanDerWaalsContact C-N 3.25Å; A209-D211 PolarHBondContact O-N 2.77Å; A209-H215 HydrophobicContact CB-CB 3.55Å |
| 210 | T | 44.6 | Very low | 69 | Low | 112 Ų | 112 | 58.6 Ų | 58.6 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -18.7 | -178.8 | 61 | 0 | 0 | 0 | 0 | 113.4 | V207 M212 | V207-T210 PolarHBondContact O-N 2.81Å; V207-T210 PolarHBondContact O-OG1 3.05Å; T210-M212 VanDerWaalsContact C-N 3.26Å; T210-M212 PolarHBondContact O-N 3.03Å |
| 211 | D | 43.5 | Very low | 69 | Low | 138 Ų | 138 | 55 Ų | 55 | 74% | 0.738 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 72.5 | 167.2 | -84.2 | -36 | 0 | 0 | 0 | 112 | A209 N213 | A209-D211 VanDerWaalsContact C-N 3.25Å; A209-D211 PolarHBondContact O-N 2.77Å; D211-N213 PolarHBondContact O-N 2.95Å |
| 212 | M | 39.8 | Very low | 69.3 | Low | 153 Ų | 153 | 55.1 Ų | 55.1 | 75% | 0.754 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 13.1 | 160.7 | -67.9 | -153.5 | 77.2 | 0 | 0 | 119.5 | T210 | T210-M212 VanDerWaalsContact C-N 3.26Å; T210-M212 PolarHBondContact O-N 3.03Å |
| 213 | N | 45.3 | Very low | 69.7 | Low | 37 Ų | 37 | 53.6 Ų | 53.6 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -145.2 | 154.2 | -179.7 | -77.8 | -61.6 | 0 | 0 | 0 | 114.9 | D211 H215 R218 | D211-N213 PolarHBondContact O-N 2.95Å; N213-H215 PolarHBondContact O-N 2.9Å; N213-R218 PolarHBondContact ND2-NH1 3.12Å; N213-R218 VanDerWaalsContact OD1-CZ 3.23Å; N213-R218 PolarHBondContact OD1-NH1 2.9Å; N213-R218 PolarHBondContact OD1-NH2 3.24Å |
| 214 | E | 57.8 | Low | 70.1 | Confident | 136 Ų | 136 | 48.5 Ų | 48.5 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | trans | -73.8 | 67.5 | 172.2 | -168.4 | 174.2 | -176.4 | 0 | 0 | 111.3 | S216 S217 | E214-S216 VanDerWaalsContact C-N 3.27Å; E214-S216 PolarHBondContact O-N 2.83Å; E214-S216 VanDerWaalsContact O-N 3.09Å; E214-S217 WeakPolarHBondContact O-CB 3.42Å; E214-S217 PolarHBondContact O-N 2.66Å; E214-S217 PolarHBondContact O-OG 2.71Å | ||
| 215 | H | 59.5 | Low | 70.7 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -53.7 | -33.7 | -164.7 | -160 | -85.4 | 0 | 0 | 0 | 115.2 | E148 Y150 A209 N213 S217 R218 S219 | E148-H215 IonicContact OE1-CE1 2.63Å; E148-H215 PolarHBondContact OE1-CE1 3.43Å; E148-H215 IonicContact OE1-ND1 2.76Å; E148-H215 PolarHBondContact OE1-ND1 3.17Å; E148-H215 IonicContact OE2-CE1 3.89Å; E148-H215 PolarHBondContact OE2-CE1 2.85Å; E148-H215 VanDerWaalsContact OE2-CE1 3.26Å; E148-H215 IonicContact OE2-ND1 3.82Å; Y150-H215 AromaticContact CD1-NE2 3.8Å; Y150-H215 AromaticContact CD2-CE1 3.99Å; Y150-H215 AromaticContact CD2-NE2 3.95Å; Y150-H215 AromaticContact CE1-NE2 3.7Å; Y150-H215 AromaticContact CE2-NE2 3.88Å; Y150-H215 AromaticContact CG-CE1 3.93Å; Y150-H215 AromaticContact CG-NE2 3.91Å; Y150-H215 AromaticContact CZ-NE2 3.73Å; A209-H215 HydrophobicContact CB-CB 3.55Å; N213-H215 PolarHBondContact O-N 2.9Å; H215-S217 PolarHBondContact O-N 2.78Å; H215-R218 PolarHBondContact O-N 3.12Å; H215-S219 PolarHBondContact ND1-OG 2.77Å; H215-S219 PolarHBondContact O-N 3.16Å; H215-S219 PolarHBondContact O-OG 3.42Å |
| 216 | S | 64.4 | Low | 71.3 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -63.3 | -23.9 | 179.8 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | E214 R218 | E214-S216 VanDerWaalsContact C-N 3.27Å; E214-S216 PolarHBondContact O-N 2.83Å; E214-S216 VanDerWaalsContact O-N 3.09Å; S216-R218 VanDerWaalsContact C-N 3.27Å |
| 217 | S | 70.7 | Confident | 72.3 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -75 | -15.5 | 172.5 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | T99 E214 H215 A251 G252 | T99-S217 WeakPolarHBondContact OG1-CB 3.2Å; E214-S217 WeakPolarHBondContact O-CB 3.42Å; E214-S217 PolarHBondContact O-N 2.66Å; E214-S217 PolarHBondContact O-OG 2.71Å; H215-S217 PolarHBondContact O-N 2.78Å; S217-A251 WeakPolarHBondContact O-CB 3.4Å; S217-G252 PolarHBondContact O-N 2.97Å |
| 218 | R | 77.1 | Confident | 73.6 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 24% | 0.242 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -119.1 | 6 | -164.6 | -68.6 | -160.9 | -162.9 | 160.8 | 15.8 | 114.7 | Y150 N213 H215 S216 E268 I272 | Y150-R218 WeakPolarHBondContact CD2-O 3.29Å; Y150-R218 HydrophobicContact CE2-CB 4.34Å; N213-R218 PolarHBondContact ND2-NH1 3.12Å; N213-R218 VanDerWaalsContact OD1-CZ 3.23Å; N213-R218 PolarHBondContact OD1-NH1 2.9Å; N213-R218 PolarHBondContact OD1-NH2 3.24Å; H215-R218 PolarHBondContact O-N 3.12Å; S216-R218 VanDerWaalsContact C-N 3.27Å; R218-E268 WeakPolarHBondContact CD-OE1 3.45Å; R218-E268 IonicContact CZ-OE1 2.94Å; R218-E268 IonicContact NE-OE1 3.66Å; R218-E268 VanDerWaalsContact NH1-CD 3.35Å; R218-E268 IonicContact NH1-OE1 3.81Å; R218-E268 PolarHBondContact NH1-OE1 2.99Å; R218-E268 IonicContact NH1-OE2 2.71Å; R218-E268 PolarHBondContact NH1-OE2 3.47Å; R218-I272 HydrophobicContact CB-CD1 3.54Å; R218-I272 HydrophobicContact CB-CG1 4.43Å; R218-I272 HydrophobicContact CG-CD1 3.84Å; R218-I272 WeakPolarHBondContact O-CG1 3.26Å |
| 219 | S | 85.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -143.9 | 146.6 | -171.1 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | E148 I149 R205 H215 | E148-S219 WeakPolarHBondContact OE1-CB 3.47Å; E148-S219 PolarHBondContact OE1-OG 3.02Å; I149-S219 WeakPolarHBondContact O-CA 3.35Å; R205-S219 PolarHBondContact NH2-O 3.34Å; R205-S219 PolarHBondContact NH2-OG 3.3Å; H215-S219 PolarHBondContact ND1-OG 2.77Å; H215-S219 PolarHBondContact O-N 3.16Å; H215-S219 PolarHBondContact O-OG 3.42Å |
| 220 | H | 91.1 | Very high | 76.9 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.3 | 176 | -48.8 | -75.5 | 0 | 0 | 0 | 109.1 | E148 I149 L222 L250 A251 S275 L301 | E148-H220 CarbonylContact C-O 3.6Å; E148-H220 WeakPolarHBondContact CA-O 3.25Å; I149-H220 HydrophobicContact CB-CB 4.29Å; I149-H220 PolarHBondContact N-O 3.13Å; I149-H220 PolarHBondContact O-N 2.99Å; H220-L222 HydrophobicContact CB-CD1 4Å; H220-L250 HydrophobicContact CB-CD2 4.27Å; H220-L250 WeakPolarHBondContact ND1-CA 3.2Å; H220-L250 WeakPolarHBondContact ND1-CD2 3.32Å; H220-A251 VanDerWaalsContact CE1-CB 3.47Å; H220-A251 WeakPolarHBondContact CE1-CB 3.38Å; H220-A251 PolarHBondContact CE1-N 3.39Å; H220-A251 PolarHBondContact ND1-N 2.75Å; H220-S275 PolarHBondContact NE2-OG 2.99Å; H220-L301 HydrophobicContact CB-CD1 4.32Å |
| 221 | A | 92.9 | Very high | 78.9 | Confident | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y146 V248 D249 | Y146-A221 HydrophobicContact CE2-CB 4.05Å; A221-V248 WeakPolarHBondContact O-CA 3.26Å; A221-D249 HydrophobicContact CB-CB 4.49Å; A221-D249 PolarHBondContact N-O 3.27Å; A221-D249 PolarHBondContact O-N 2.83Å |
| 222 | L | 95.3 | Very high | 80.7 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.5 | 178.8 | -71.9 | 77.9 | 0 | 0 | 0 | 109.1 | L147 I149 H220 L224 V248 L301 L304 | L147-L222 HydrophobicContact CD1-CB 3.8Å; L147-L222 HydrophobicContact CD1-CD1 3.95Å; L147-L222 HydrophobicContact CD1-CD2 4.39Å; L147-L222 HydrophobicContact CD1-CG 4.24Å; L147-L222 HydrophobicContact CG-CB 3.99Å; L147-L222 PolarHBondContact N-O 3.35Å; L147-L222 PolarHBondContact O-N 3.45Å; I149-L222 HydrophobicContact CD1-CD1 3.93Å; I149-L222 HydrophobicContact CG1-CD1 4.15Å; H220-L222 HydrophobicContact CB-CD1 4Å; L222-L224 HydrophobicContact CB-CD2 4.09Å; L222-V248 HydrophobicContact CD1-CG1 4.15Å; L222-V248 HydrophobicContact CD2-CG2 4.4Å; L222-V248 HydrophobicContact CG-CB 4.49Å; L222-V248 HydrophobicContact CG-CG1 3.98Å; L222-V248 HydrophobicContact CG-CG2 4.01Å; L222-L301 HydrophobicContact CD1-CD1 4.46Å; L222-L304 HydrophobicContact CD2-CB 4.49Å; L222-L304 HydrophobicContact CD2-CD1 4.43Å |
| 223 | F | 96.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119 | 170.3 | -163.5 | -85.2 | 0 | 0 | 0 | 108.6 | F124 A144 Y146 I194 V197 M198 I225 L247 | F124-F223 HydrophobicContact CE1-CD1 4.07Å; F124-F223 AromaticContact CE1-CE1 3.48Å; F124-F223 HydrophobicContact CE1-CE1 3.48Å; F124-F223 VanDerWaalsContact CE1-CE1 3.48Å; F124-F223 HydrophobicContact CE1-CZ 4.06Å; F124-F223 HydrophobicContact CZ-CD1 4.24Å; F124-F223 AromaticContact CZ-CE1 3.58Å; F124-F223 HydrophobicContact CZ-CE1 3.58Å; F124-F223 HydrophobicContact CZ-CE2 4.4Å; F124-F223 AromaticContact CZ-CZ 3.68Å; F124-F223 HydrophobicContact CZ-CZ 3.68Å; A144-F223 HydrophobicContact CB-CE1 4.14Å; A144-F223 HydrophobicContact CB-CZ 3.95Å; Y146-F223 AromaticContact CD1-CD2 3.71Å; Y146-F223 HydrophobicContact CD1-CD2 3.71Å; Y146-F223 HydrophobicContact CD1-CE2 4.04Å; Y146-F223 HydrophobicContact CD2-CB 4.01Å; Y146-F223 AromaticContact CD2-CD2 3.71Å; Y146-F223 HydrophobicContact CD2-CD2 3.71Å; Y146-F223 HydrophobicContact CD2-CG 4.34Å; Y146-F223 HydrophobicContact CE1-CD2 4.17Å; Y146-F223 HydrophobicContact CE2-CB 4.17Å; Y146-F223 HydrophobicContact CE2-CD2 4.15Å; Y146-F223 AromaticContact CG-CD2 3.48Å; Y146-F223 HydrophobicContact CG-CD2 3.48Å; Y146-F223 VanDerWaalsContact CG-CD2 3.48Å; Y146-F223 HydrophobicContact CG-CE2 4.07Å; Y146-F223 HydrophobicContact CG-CG 4.47Å; I194-F223 HydrophobicContact CD1-CE1 4.07Å; I194-F223 HydrophobicContact CD1-CZ 4.37Å; I194-F223 HydrophobicContact CG1-CE1 4.03Å; I194-F223 HydrophobicContact CG1-CZ 3.84Å; V197-F223 HydrophobicContact CG1-CE2 4.36Å; V197-F223 HydrophobicContact CG1-CZ 4.38Å; M198-F223 HydrophobicContact CB-CD2 4.3Å; M198-F223 HydrophobicContact CB-CE2 3.6Å; M198-F223 HydrophobicContact CB-CZ 4.13Å; M198-F223 HydrophobicContact CG-CD2 3.84Å; M198-F223 HydrophobicContact CG-CE2 3.66Å; M198-F223 HydrophobicContact CG-CZ 4.48Å; M198-F223 HydrophobicContact SD-CD2 4.42Å; M198-F223 HydrophobicContact SD-CE2 4.49Å; F223-I225 HydrophobicContact CD1-CD1 4.32Å; F223-I225 HydrophobicContact CD1-CG1 3.87Å; F223-I225 HydrophobicContact CE1-CD1 4.12Å; F223-I225 HydrophobicContact CE1-CG1 3.8Å; F223-L247 HydrophobicContact CB-CB 4.27Å; F223-L247 HydrophobicContact CD1-CD1 4.35Å; F223-L247 PolarHBondContact N-O 2.89Å; F223-L247 WeakPolarHBondContact O-CB 3.17Å; F223-L247 PolarHBondContact O-N 2.86Å |
| 224 | L | 95.8 | Very high | 83.5 | Confident | 25 Ų | 25 | 31.7 Ų | 31.7 | 13% | 0.131 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.2 | -171.5 | -48.6 | 179.2 | 0 | 0 | 0 | 109.1 | A144 S145 L147 L183 L222 L245 N246 | A144-L224 WeakPolarHBondContact CA-O 3.31Å; S145-L224 PolarHBondContact N-O 3.04Å; S145-L224 PolarHBondContact O-N 2.87Å; L147-L224 HydrophobicContact CD2-CD1 4.13Å; L183-L224 HydrophobicContact CD2-CD1 4.03Å; L222-L224 HydrophobicContact CB-CD2 4.09Å; L224-L245 WeakPolarHBondContact CA-O 3.38Å; L224-N246 HydrophobicContact CD2-CB 4.12Å; L224-N246 WeakPolarHBondContact CD2-OD1 3.28Å |
| 225 | I | 96.7 | Very high | 84.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120 | 174.7 | -42 | -176.7 | 0 | 0 | 0 | 109 | F124 I127 V142 R143 I194 F223 V227 L245 L247 | F124-I225 HydrophobicContact CD1-CD1 3.91Å; F124-I225 HydrophobicContact CE1-CD1 3.77Å; I127-I225 HydrophobicContact CD1-CD1 4.02Å; I127-I225 HydrophobicContact CD1-CG2 4.48Å; V142-I225 HydrophobicContact CG1-CG2 3.63Å; R143-I225 CarbonylContact O-C 3.55Å; R143-I225 WeakPolarHBondContact O-CA 3.48Å; I194-I225 HydrophobicContact CD1-CD1 3.97Å; I194-I225 HydrophobicContact CD1-CG1 4.33Å; I194-I225 HydrophobicContact CD1-CG2 4.3Å; F223-I225 HydrophobicContact CD1-CD1 4.32Å; F223-I225 HydrophobicContact CD1-CG1 3.87Å; F223-I225 HydrophobicContact CE1-CD1 4.12Å; F223-I225 HydrophobicContact CE1-CG1 3.8Å; I225-V227 HydrophobicContact CG2-CG2 4.09Å; I225-L245 HydrophobicContact CB-CB 4.28Å; I225-L245 HydrophobicContact CD1-CD2 4.18Å; I225-L245 PolarHBondContact N-O 3.11Å; I225-L245 PolarHBondContact O-N 2.89Å; I225-L247 HydrophobicContact CD1-CD1 3.87Å; I225-L247 HydrophobicContact CG1-CD1 4.22Å |
| 226 | T | 94.8 | Very high | 84.7 | Confident | 29 Ų | 29 | 31.2 Ų | 31.2 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.6 | 169.2 | -56.6 | 0 | 0 | 0 | 0 | 108.8 | V142 R143 E228 V242 G243 R244 | V142-T226 WeakPolarHBondContact CA-O 3.36Å; R143-T226 PolarHBondContact N-O 3.07Å; R143-T226 PolarHBondContact O-N 3.49Å; T226-E228 HydrophobicContact CG2-CG 4.32Å; T226-V242 HydrophobicContact CG2-CG1 3.71Å; T226-G243 CarbonylContact C-O 3.57Å; T226-G243 WeakPolarHBondContact CA-O 3.45Å; T226-R244 HydrophobicContact CG2-CG 4.37Å |
| 227 | V | 94.5 | Very high | 85.4 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.6 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | L86 I127 Y140 V142 I225 G243 | L86-V227 HydrophobicContact CD2-CG1 4.39Å; I127-V227 HydrophobicContact CG2-CG2 4.23Å; Y140-V227 HydrophobicContact CD1-CG1 4.01Å; Y140-V227 HydrophobicContact CE1-CG1 4.47Å; V142-V227 HydrophobicContact CG2-CG1 4.48Å; V142-V227 HydrophobicContact CG2-CG2 4.39Å; I225-V227 HydrophobicContact CG2-CG2 4.09Å; V227-G243 PolarHBondContact N-O 2.86Å; V227-G243 PolarHBondContact O-N 2.89Å |
| 228 | E | 91.4 | Very high | 85.7 | Confident | 51 Ų | 51 | 41.9 Ų | 41.9 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.1 | 172.1 | -62.1 | -179.5 | 161.7 | 0 | 0 | 109.3 | Y140 L141 R143 T226 R241 V242 | Y140-E228 VanDerWaalsContact CA-O 3.31Å; Y140-E228 WeakPolarHBondContact CA-O 3.21Å; L141-E228 HydrophobicContact CB-CB 4.34Å; L141-E228 PolarHBondContact N-O 3.21Å; L141-E228 PolarHBondContact O-N 2.93Å; R143-E228 IonicContact CZ-OE1 3.78Å; R143-E228 IonicContact CZ-OE2 3.56Å; R143-E228 IonicContact NH1-OE1 3.27Å; R143-E228 PolarHBondContact NH1-OE1 2.89Å; R143-E228 VanDerWaalsContact NH1-OE1 3.15Å; R143-E228 IonicContact NH1-OE2 3.93Å; R143-E228 PolarHBondContact NH1-OE2 2.91Å; R143-E228 IonicContact NH2-OE1 2.73Å; R143-E228 PolarHBondContact NH2-OE1 3.08Å; R143-E228 IonicContact NH2-OE2 2.69Å; T226-E228 HydrophobicContact CG2-CG 4.32Å; E228-R241 WeakPolarHBondContact CA-O 3.3Å; E228-V242 HydrophobicContact CG-CG1 4.16Å; E228-V242 HydrophobicContact CG-CG2 4.15Å |
| 229 | C | 90.5 | Very high | 86 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111.6 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 108.5 | Y140 R241 | Y140-C229 HydrophobicContact CD1-CB 3.93Å; Y140-C229 HydrophobicContact CE1-CB 3.58Å; C229-R241 HydrophobicContact CB-CB 4.49Å; C229-R241 PolarHBondContact N-O 3.42Å; C229-R241 PolarHBondContact O-N 2.97Å; C229-R241 PolarHBondContact SG-NH2 3.29Å |
| 230 | S | 87.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 43.4 Ų | 43.4 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.9 | 168 | -168 | 0 | 0 | 0 | 0 | 109.9 | K138 Q139 H239 | K138-S230 WeakPolarHBondContact CA-O 3.34Å; Q139-S230 PolarHBondContact N-O 3.47Å; Q139-S230 PolarHBondContact O-N 3.27Å; S230-H239 WeakPolarHBondContact CA-O 3.39Å |
| 231 | Q | 85.2 | Confident | 86.1 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 137.5 | 177.5 | -168.3 | 177.9 | 8.2 | 0 | 0 | 110 | D137 K138 G233 H239 | D137-Q231 VanDerWaalsContact OD2-CG 3.3Å; D137-Q231 WeakPolarHBondContact OD2-CG 3.22Å; D137-Q231 PolarHBondContact OD2-NE2 2.88Å; K138-Q231 VanDerWaalsContact CE-CD 3.5Å; K138-Q231 HydrophobicContact CG-CB 4.22Å; K138-Q231 HydrophobicContact CG-CG 3.83Å; Q231-G233 PolarHBondContact O-N 2.92Å; Q231-H239 PolarHBondContact N-O 2.96Å; Q231-H239 PolarHBondContact O-N 3.39Å |
| 232 | P | 81.1 | Confident | 86 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 128 | 171.2 | 27.2 | -33.9 | 0 | 0 | 0 | 110.7 | D137 R237 | D137-P232 HydrophobicContact CB-CG 4.02Å; D137-P232 WeakPolarHBondContact O-CD 3.22Å; P232-R237 CarbonylContact C-O 3.56Å; P232-R237 WeakPolarHBondContact CA-O 3.48Å |
| 233 | G | 73.4 | Confident | 85.9 | Confident | 13 Ų | 13 | 47 Ų | 47 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | trans | -80.4 | 167.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q231 D235 G236 R237 H239 | Q231-G233 PolarHBondContact O-N 2.92Å; G233-D235 PolarHBondContact O-N 3.06Å; G233-D235 VanDerWaalsContact O-N 3.13Å; G233-G236 PolarHBondContact O-N 2.87Å; G233-R237 PolarHBondContact N-O 2.92Å; G233-H239 WeakPolarHBondContact CA-CD2 3.45Å; G233-H239 WeakPolarHBondContact CA-NE2 3.46Å | ||
| 234 | P | 70.3 | Confident | 85.8 | Confident | 114 Ų | 114 | 50 Ų | 50 | 74% | 0.74 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -4.8 | 173.4 | 31.6 | -36.6 | 0 | 0 | 0 | 113.3 | ||
| 235 | D | 71.4 | Confident | 85.9 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.9 | 171.1 | 71.5 | -20.1 | 0 | 0 | 0 | 113.1 | G233 R237 H239 | G233-D235 PolarHBondContact O-N 3.06Å; G233-D235 VanDerWaalsContact O-N 3.13Å; D235-R237 VanDerWaalsContact C-N 3.29Å; D235-R237 PolarHBondContact O-N 3.36Å; D235-R237 WeakPolarHBondContact OD1-CB 3.3Å; D235-R237 PolarHBondContact OD1-N 3.04Å; D235-R237 VanDerWaalsContact OD2-CD 3.29Å; D235-R237 WeakPolarHBondContact OD2-CD 3.43Å; D235-R237 WeakPolarHBondContact OD2-CG 3.46Å; D235-H239 IonicContact OD1-CE1 2.96Å; D235-H239 IonicContact OD1-NE2 3.2Å |
| 236 | G | 72.1 | Confident | 85.9 | Confident | 69 Ų | 69 | 50 Ų | 50 | 71% | 0.711 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 77.6 | 4.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | G233 | G233-G236 PolarHBondContact O-N 2.87Š|
| 237 | R | 78.2 | Confident | 86 | Confident | 170 Ų | 170 | 48.6 Ų | 48.6 | 64% | 0.642 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -93 | 157.6 | 178.5 | -61.1 | -174.1 | 176.3 | 164 | -2 | 111.2 | P232 G233 D235 H239 | P232-R237 CarbonylContact C-O 3.56Å; P232-R237 WeakPolarHBondContact CA-O 3.48Å; G233-R237 PolarHBondContact N-O 2.92Å; D235-R237 VanDerWaalsContact C-N 3.29Å; D235-R237 PolarHBondContact O-N 3.36Å; D235-R237 WeakPolarHBondContact OD1-CB 3.3Å; D235-R237 PolarHBondContact OD1-N 3.04Å; D235-R237 VanDerWaalsContact OD2-CD 3.29Å; D235-R237 WeakPolarHBondContact OD2-CD 3.43Å; D235-R237 WeakPolarHBondContact OD2-CG 3.46Å; R237-H239 PolarHBondContact O-N 3.23Å |
| 238 | K | 78.5 | Confident | 86.1 | Confident | 127 Ų | 127 | 48.5 Ų | 48.5 | 55% | 0.552 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 107.3 | 171.6 | -73.3 | -167.4 | 178.6 | -169.1 | 0 | 109.5 | ||
| 239 | H | 83.3 | Confident | 86.3 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 13% | 0.125 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 135.2 | 168.1 | -61.7 | -40.7 | 0 | 0 | 0 | 109.5 | S230 Q231 G233 D235 R237 D356 | S230-H239 WeakPolarHBondContact CA-O 3.39Å; Q231-H239 PolarHBondContact N-O 2.96Å; Q231-H239 PolarHBondContact O-N 3.39Å; G233-H239 WeakPolarHBondContact CA-CD2 3.45Å; G233-H239 WeakPolarHBondContact CA-NE2 3.46Å; D235-H239 IonicContact OD1-CE1 2.96Å; D235-H239 IonicContact OD1-NE2 3.2Å; R237-H239 PolarHBondContact O-N 3.23Å; H239-D356 VanDerWaalsContact CA-OD2 3.31Å; H239-D356 WeakPolarHBondContact CA-OD2 3.33Å; H239-D356 WeakPolarHBondContact CB-OD2 3.43Å; H239-D356 IonicContact CE1-OD1 3.26Å; H239-D356 IonicContact CE1-OD2 2.9Å; H239-D356 IonicContact CG-OD2 3.66Å; H239-D356 IonicContact ND1-OD1 3.45Å; H239-D356 PolarHBondContact ND1-OD1 3.33Å; H239-D356 IonicContact ND1-OD2 2.65Å; H239-D356 PolarHBondContact ND1-OD2 2.81Å |
| 240 | I | 86.7 | Confident | 86.4 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 36% | 0.359 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132.2 | 176.7 | -57.5 | 178.5 | 0 | 0 | 0 | 109.7 | V242 E352 | I240-V242 HydrophobicContact CG2-CG2 4.2Å; I240-E352 WeakPolarHBondContact O-CA 3.36Å |
| 241 | R | 90.6 | Very high | 86.5 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.9 | 169.9 | -69.2 | 176.9 | -66.4 | -125.3 | -9 | 109.6 | E228 C229 V350 N351 E352 | E228-R241 WeakPolarHBondContact CA-O 3.3Å; C229-R241 HydrophobicContact CB-CB 4.49Å; C229-R241 PolarHBondContact N-O 3.42Å; C229-R241 PolarHBondContact O-N 2.97Å; C229-R241 PolarHBondContact SG-NH2 3.29Å; R241-V350 HydrophobicContact CG-CG1 4.09Å; R241-N351 WeakPolarHBondContact CA-O 3.24Å; R241-E352 HydrophobicContact CG-CB 4.16Å |
| 242 | V | 91.3 | Very high | 86.6 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 106.2 | -178 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | T226 E228 I240 R244 N351 | T226-V242 HydrophobicContact CG2-CG1 3.71Å; E228-V242 HydrophobicContact CG-CG1 4.16Å; E228-V242 HydrophobicContact CG-CG2 4.15Å; I240-V242 HydrophobicContact CG2-CG2 4.2Å; V242-R244 HydrophobicContact CG1-CG 4.47Å; V242-N351 PolarHBondContact N-O 3.38Å; V242-N351 WeakPolarHBondContact O-CB 3.44Å; V242-N351 PolarHBondContact O-ND2 2.98Å |
| 243 | G | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V85 F89 T226 V227 | V85-G243 WeakPolarHBondContact O-CA 3.44Å; F89-G243 WeakPolarHBondContact O-CA 3.43Å; T226-G243 CarbonylContact C-O 3.57Å; T226-G243 WeakPolarHBondContact CA-O 3.45Å; V227-G243 PolarHBondContact N-O 2.86Å; V227-G243 PolarHBondContact O-N 2.89Å |
| 244 | R | 94.4 | Very high | 86.9 | Confident | 65 Ų | 65 | 42.6 Ų | 42.6 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.5 | 171 | -60.8 | 172.5 | 72.6 | -173.7 | 0.5 | 108.9 | N90 G91 T176 T226 V242 | N90-R244 CarbonylContact C-O 3.59Å; N90-R244 WeakPolarHBondContact CA-O 3.37Å; N90-R244 WeakPolarHBondContact OD1-CB 3.48Å; G91-R244 PolarHBondContact N-O 2.84Å; T176-R244 PolarHBondContact O-NH1 3.34Å; T226-R244 HydrophobicContact CG2-CG 4.37Å; V242-R244 HydrophobicContact CG1-CG 4.47Å |
| 245 | L | 97.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.9 | 176.6 | 174.1 | 59.4 | 0 | 0 | 0 | 109.9 | L81 I82 V85 G91 I93 A123 I127 L224 I225 L247 | L81-L245 HydrophobicContact CD2-CD1 3.68Å; I82-L245 HydrophobicContact CD1-CD1 4Å; I82-L245 HydrophobicContact CD1-CD2 3.46Å; I82-L245 VanDerWaalsContact CD1-CD2 3.46Å; I82-L245 HydrophobicContact CD1-CG 4.4Å; V85-L245 HydrophobicContact CG1-CB 4.05Å; V85-L245 HydrophobicContact CG2-CB 4.1Å; V85-L245 HydrophobicContact CG2-CD1 4.41Å; G91-L245 CarbonylContact O-C 3.59Å; G91-L245 VanDerWaalsContact O-CA 3.27Å; G91-L245 WeakPolarHBondContact O-CA 3.1Å; I93-L245 HydrophobicContact CD1-CD1 4.3Å; A123-L245 HydrophobicContact CB-CD2 4.44Å; I127-L245 HydrophobicContact CD1-CD2 4.08Å; L224-L245 WeakPolarHBondContact CA-O 3.38Å; I225-L245 HydrophobicContact CB-CB 4.28Å; I225-L245 HydrophobicContact CD1-CD2 4.18Å; I225-L245 PolarHBondContact N-O 3.11Å; I225-L245 PolarHBondContact O-N 2.89Å; L245-L247 HydrophobicContact CD1-CD2 4.39Å; L245-L247 HydrophobicContact CD1-CG 4.26Å; L245-L247 HydrophobicContact CD2-CD1 3.88Å; L245-L247 HydrophobicContact CD2-CD2 4.45Å; L245-L247 HydrophobicContact CD2-CG 4.19Å; L245-L247 HydrophobicContact CG-CD1 4.02Å; L245-L247 HydrophobicContact CG-CD2 4.45Å; L245-L247 HydrophobicContact CG-CG 3.93Å |
| 246 | N | 97.1 | Very high | 85.9 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.1 | 175.4 | -47.6 | -49.1 | 0 | 0 | 0 | 109 | G91 T92 I93 L224 V248 | G91-N246 PolarHBondContact O-N 3.49Å; T92-N246 CarbonylContact C-O 3.58Å; T92-N246 WeakPolarHBondContact CA-O 3.29Å; T92-N246 HydrophobicContact CG2-CB 4.11Å; T92-N246 PolarHBondContact OG1-ND2 2.79Å; I93-N246 PolarHBondContact N-O 3.45Å; L224-N246 HydrophobicContact CD2-CB 4.12Å; L224-N246 WeakPolarHBondContact CD2-OD1 3.28Å; N246-V248 HydrophobicContact CB-CG2 4.42Å |
| 247 | L | 97.6 | Very high | 85 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 109.8 | 179.2 | -68.6 | 151.4 | 0 | 0 | 0 | 108.6 | I93 M107 V119 I120 F223 I225 L245 | I93-L247 HydrophobicContact CB-CD2 4.38Å; I93-L247 HydrophobicContact CD1-CD2 3.96Å; M107-L247 HydrophobicContact CE-CB 3.99Å; M107-L247 HydrophobicContact CE-CD2 4.04Å; V119-L247 HydrophobicContact CG1-CD2 3.8Å; I120-L247 HydrophobicContact CD1-CB 4.3Å; I120-L247 HydrophobicContact CG1-CB 3.99Å; I120-L247 HydrophobicContact CG1-CD1 4.14Å; I120-L247 HydrophobicContact CG1-CD2 4.03Å; I120-L247 HydrophobicContact CG1-CG 4.27Å; I120-L247 HydrophobicContact CG2-CD1 4.35Å; F223-L247 HydrophobicContact CB-CB 4.27Å; F223-L247 HydrophobicContact CD1-CD1 4.35Å; F223-L247 PolarHBondContact N-O 2.89Å; F223-L247 WeakPolarHBondContact O-CB 3.17Å; F223-L247 PolarHBondContact O-N 2.86Å; I225-L247 HydrophobicContact CD1-CD1 3.87Å; I225-L247 HydrophobicContact CG1-CD1 4.22Å; L245-L247 HydrophobicContact CD1-CD2 4.39Å; L245-L247 HydrophobicContact CD1-CG 4.26Å; L245-L247 HydrophobicContact CD2-CD1 3.88Å; L245-L247 HydrophobicContact CD2-CD2 4.45Å; L245-L247 HydrophobicContact CD2-CG 4.19Å; L245-L247 HydrophobicContact CG-CD1 4.02Å; L245-L247 HydrophobicContact CG-CD2 4.45Å; L245-L247 HydrophobicContact CG-CG 3.93Å |
| 248 | V | 96.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.9 | -165.3 | -170.6 | 0 | 0 | 0 | 0 | 112 | T92 I93 F94 A95 A221 L222 N246 L250 L305 | T92-V248 HydrophobicContact CG2-CG2 4.42Å; I93-V248 PolarHBondContact O-N 2.81Å; F94-V248 WeakPolarHBondContact CA-O 3.43Å; F94-V248 HydrophobicContact CB-CB 3.76Å; F94-V248 HydrophobicContact CB-CG1 4.3Å; F94-V248 HydrophobicContact CB-CG2 4.39Å; A95-V248 PolarHBondContact N-O 2.82Å; A221-V248 WeakPolarHBondContact O-CA 3.26Å; L222-V248 HydrophobicContact CD1-CG1 4.15Å; L222-V248 HydrophobicContact CD2-CG2 4.4Å; L222-V248 HydrophobicContact CG-CB 4.49Å; L222-V248 HydrophobicContact CG-CG1 3.98Å; L222-V248 HydrophobicContact CG-CG2 4.01Å; N246-V248 HydrophobicContact CB-CG2 4.42Å; V248-L250 HydrophobicContact CG1-CD2 3.51Å; V248-L250 HydrophobicContact CG1-CG 4Å; V248-L305 HydrophobicContact CG2-CD2 4.29Å |
| 249 | D | 95.3 | Very high | 82.4 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 102.6 | 169.2 | -168 | 37 | 0 | 0 | 0 | 108.1 | K103 T104 M107 A221 | K103-D249 WeakPolarHBondContact CB-OD1 3.32Å; T104-D249 WeakPolarHBondContact CA-OD1 3.42Å; T104-D249 WeakPolarHBondContact CA-OD2 3.48Å; T104-D249 VanDerWaalsContact CB-OD2 3.27Å; T104-D249 WeakPolarHBondContact CB-OD2 3.47Å; T104-D249 WeakPolarHBondContact CG2-OD2 3.44Å; T104-D249 PolarHBondContact N-OD1 3.39Å; T104-D249 PolarHBondContact OG1-OD2 3.37Å; M107-D249 HydrophobicContact CB-CB 4.34Å; M107-D249 HydrophobicContact CG-CB 4.13Å; A221-D249 HydrophobicContact CB-CB 4.49Å; A221-D249 PolarHBondContact N-O 3.27Å; A221-D249 PolarHBondContact O-N 2.83Å |
| 250 | L | 92.9 | Very high | 81 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 166.2 | -175.7 | -62.1 | 174.8 | 0 | 0 | 0 | 112 | F94 A95 Y96 K103 H220 V248 L276 L279 L301 | F94-L250 HydrophobicContact CD2-CD1 3.82Å; A95-L250 WeakPolarHBondContact O-CB 3.34Å; A95-L250 WeakPolarHBondContact O-CG 3.31Å; A95-L250 PolarHBondContact O-N 3.05Å; Y96-L250 HydrophobicContact CD2-CD1 3.87Å; K103-L250 WeakPolarHBondContact CE-O 3.44Å; H220-L250 HydrophobicContact CB-CD2 4.27Å; H220-L250 WeakPolarHBondContact ND1-CA 3.2Å; H220-L250 WeakPolarHBondContact ND1-CD2 3.32Å; V248-L250 HydrophobicContact CG1-CD2 3.51Å; V248-L250 HydrophobicContact CG1-CG 4Å; L250-L276 HydrophobicContact CD1-CD2 4.4Å; L250-L279 HydrophobicContact CD1-CD2 4.04Å; L250-L301 HydrophobicContact CD2-CD1 3.97Å; L250-L301 HydrophobicContact CD2-CD2 4.05Å |
| 251 | A | 89.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 173.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K103 S217 H220 I272 L276 | K103-A251 WeakPolarHBondContact CE-O 3.47Å; K103-A251 PolarHBondContact NZ-O 3.15Å; S217-A251 WeakPolarHBondContact O-CB 3.4Å; H220-A251 VanDerWaalsContact CE1-CB 3.47Å; H220-A251 WeakPolarHBondContact CE1-CB 3.38Å; H220-A251 PolarHBondContact CE1-N 3.39Å; H220-A251 PolarHBondContact ND1-N 2.75Å; A251-I272 HydrophobicContact CB-CG2 4.09Å; A251-L276 HydrophobicContact CB-CD1 4.32Å |
| 252 | G | 87 | Confident | 77.6 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 131.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T99 S217 E254 L276 | T99-G252 WeakPolarHBondContact OG1-CA 3.42Å; S217-G252 PolarHBondContact O-N 2.97Å; G252-E254 VanDerWaalsContact C-N 3.29Å; G252-E254 VanDerWaalsContact C-OE2 3.26Å; G252-E254 WeakPolarHBondContact CA-OE2 3.13Å; G252-E254 PolarHBondContact O-N 3.32Å; G252-L276 WeakPolarHBondContact O-CD1 3.26Å |
| 253 | S | 84.1 | Confident | 76.5 | Confident | 14 Ų | 14 | 44 Ų | 44 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | trans | -82.8 | 1.3 | 177.7 | 71.6 | 0 | 0 | 0 | 0 | 114.8 | G97 Q98 | G97-S253 WeakPolarHBondContact CA-OG 3.3Å; G97-S253 PolarHBondContact O-N 2.92Å; G97-S253 VanDerWaalsContact O-N 3.14Å; G97-S253 PolarHBondContact O-OG 3.3Å; Q98-S253 PolarHBondContact N-OG 2.95Å; Q98-S253 VanDerWaalsContact N-OG 3.12Å | ||
| 254 | E | 76.6 | Confident | 74.7 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | trans | -71.8 | 152.8 | -175.6 | 57.2 | -85.1 | -166 | 0 | 0 | 114.9 | Q98 T99 G252 N273 | Q98-E254 WeakPolarHBondContact CA-OE2 3.23Å; Q98-E254 HydrophobicContact CG-CB 4.22Å; Q98-E254 WeakPolarHBondContact CG-OE2 3.41Å; T99-E254 WeakPolarHBondContact CB-OE1 3.38Å; T99-E254 PolarHBondContact N-OE2 3.3Å; T99-E254 PolarHBondContact OG1-OE1 3.2Å; G252-E254 VanDerWaalsContact C-N 3.29Å; G252-E254 VanDerWaalsContact C-OE2 3.26Å; G252-E254 WeakPolarHBondContact CA-OE2 3.13Å; G252-E254 PolarHBondContact O-N 3.32Å; E254-N273 PolarHBondContact O-ND2 3.25Å | ||
| 255 | R | 64.9 | Low | 73.2 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | trans | -85.4 | 138.3 | 177.2 | -55.7 | -164.3 | -168.8 | -160.2 | 3.2 | 112.8 | A257 E563 E570 | R255-A257 PolarHBondContact O-N 3.36Å; R255-A257 VanDerWaalsContact O-N 3.17Å; R255-E563 IonicContact NH2-OE1 3.76Å; R255-E563 PolarHBondContact NH2-OE1 3.47Å; R255-E563 VanDerWaalsContact NH2-OE1 3.09Å; R255-E570 VanDerWaalsContact CD-OE1 3.3Å; R255-E570 WeakPolarHBondContact CD-OE1 3.46Å; R255-E570 IonicContact CZ-OE2 3.66Å; R255-E570 IonicContact NH1-OE2 3.31Å; R255-E570 PolarHBondContact NH1-OE2 3.34Å | ||
| 256 | Q | 56 | Low | 71.6 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -65.3 | -18.1 | -173.9 | -65.4 | 168.4 | 35.6 | 0 | 0 | 115.1 | K258 T259 A269 N273 | Q256-K258 PolarHBondContact O-N 3.41Å; Q256-T259 PolarHBondContact O-N 3.26Å; Q256-T259 PolarHBondContact O-OG1 3.44Å; Q256-A269 HydrophobicContact CG-CB 3.89Å; Q256-A269 PolarHBondContact NE2-O 3.3Å; Q256-N273 PolarHBondContact NE2-OD1 3.35Å; Q256-N273 VanDerWaalsContact NE2-OD1 3.1Å |
| 257 | A | 53.9 | Low | 70.1 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 74% | 0.744 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -56.2 | -14.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R255 | R255-A257 PolarHBondContact O-N 3.36Å; R255-A257 VanDerWaalsContact O-N 3.17Å |
| 258 | K | 49.8 | Very low | 68.5 | Low | 124 Ų | 124 | 57.2 Ų | 57.2 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -92.7 | -13.4 | 176 | -66.6 | 173 | 177.1 | 172.8 | 0 | 115 | Q256 E330 | Q256-K258 PolarHBondContact O-N 3.41Å; K258-E330 IonicContact NZ-OE1 3.29Å; K258-E330 PolarHBondContact NZ-OE1 3.17Å |
| 259 | T | 51.7 | Low | 66.9 | Low | 84 Ų | 84 | 58 Ų | 58 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -19.4 | -171 | 62 | 0 | 0 | 0 | 0 | 114.2 | Q256 V261 | Q256-T259 PolarHBondContact O-N 3.26Å; Q256-T259 PolarHBondContact O-OG1 3.44Å; T259-V261 VanDerWaalsContact C-N 3.28Å; T259-V261 VanDerWaalsContact O-CG2 3.32Å; T259-V261 WeakPolarHBondContact O-CG2 3.43Å; T259-V261 PolarHBondContact O-N 3.27Å |
| 260 | G | 52.8 | Low | 65.5 | Low | 72 Ų | 72 | 59.3 Ų | 59.3 | 74% | 0.742 | 34% | 0.341 | S | S | * | . | trans | 65.7 | 21.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 261 | V | 55.2 | Low | 64.4 | Low | 50 Ų | 50 | 63.5 Ų | 63.5 | 30% | 0.303 | 36% | 0.36 | S | S | . | . | trans | -89.2 | 145.3 | -169.9 | -155.3 | 0 | 0 | 0 | 0 | 112.2 | T259 R265 | T259-V261 VanDerWaalsContact C-N 3.28Å; T259-V261 VanDerWaalsContact O-CG2 3.32Å; T259-V261 WeakPolarHBondContact O-CG2 3.43Å; T259-V261 PolarHBondContact O-N 3.27Å; V261-R265 HydrophobicContact CB-CB 4.46Å; V261-R265 HydrophobicContact CG1-CB 3.45Å; V261-R265 VanDerWaalsContact CG1-CB 3.45Å; V261-R265 HydrophobicContact CG1-CG 4.18Å | ||
| 262 | Q | 52.2 | Low | 63.3 | Low | 172 Ų | 172 | 64 Ų | 64 | 80% | 0.804 | 36% | 0.362 | S | S | * | . | trans | -121.3 | 167.3 | 177.1 | -61.3 | -176.3 | 6.1 | 0 | 0 | 111.7 | ||||
| 263 | G | 66.4 | Low | 62.5 | Low | 52 Ų | 52 | 65.7 Ų | 65.7 | 54% | 0.536 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -152.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | R265 L266 | G263-R265 PolarHBondContact O-N 2.79Å; G263-L266 VanDerWaalsContact O-CB 3.32Å; G263-L266 WeakPolarHBondContact O-CB 3.47Å; G263-L266 PolarHBondContact O-N 3.41Å |
| 264 | D | 58 | Low | 62.4 | Low | 113 Ų | 113 | 69 Ų | 69 | 60% | 0.604 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.7 | -20.6 | -175.1 | -60.6 | -63.5 | 0 | 0 | 0 | 113.5 | L266 K267 E268 | D264-L266 PolarHBondContact O-N 2.82Å; D264-K267 WeakPolarHBondContact O-CB 3.49Å; D264-K267 PolarHBondContact O-N 2.64Å; D264-K267 VanDerWaalsContact O-N 3.13Å; D264-K267 WeakPolarHBondContact OD1-CD 3.37Å; D264-K267 WeakPolarHBondContact OD1-CE 3.39Å; D264-K267 IonicContact OD1-NZ 3.46Å; D264-K267 PolarHBondContact OD1-NZ 2.97Å; D264-E268 WeakPolarHBondContact O-CB 3.35Å; D264-E268 PolarHBondContact O-N 3.03Å |
| 265 | R | 62.8 | Low | 62.8 | Low | 104 Ų | 104 | 66.8 Ų | 66.8 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -23.5 | 168.2 | -68.9 | 179.9 | 176.4 | 179.8 | -5 | 113.7 | V261 G263 E268 A269 | V261-R265 HydrophobicContact CB-CB 4.46Å; V261-R265 HydrophobicContact CG1-CB 3.45Å; V261-R265 VanDerWaalsContact CG1-CB 3.45Å; V261-R265 HydrophobicContact CG1-CG 4.18Å; G263-R265 PolarHBondContact O-N 2.79Å; R265-E268 WeakPolarHBondContact O-CB 3.29Å; R265-A269 WeakPolarHBondContact O-CB 3.39Å; R265-A269 PolarHBondContact O-N 2.69Å |
| 266 | L | 63.7 | Low | 63.8 | Low | 49 Ų | 49 | 64.8 Ų | 64.8 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -76.1 | -37.7 | 172 | -175.7 | 151.3 | 0 | 0 | 0 | 110.6 | G263 D264 E268 A269 A270 E577 | G263-L266 VanDerWaalsContact O-CB 3.32Å; G263-L266 WeakPolarHBondContact O-CB 3.47Å; G263-L266 PolarHBondContact O-N 3.41Å; D264-L266 PolarHBondContact O-N 2.82Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-A269 PolarHBondContact O-N 2.88Å; L266-A270 VanDerWaalsContact O-CB 3.24Å; L266-A270 WeakPolarHBondContact O-CB 3.49Å; L266-A270 PolarHBondContact O-N 3.29Å; L266-E577 WeakPolarHBondContact CD2-OE2 3.33Å |
| 267 | K | 65.3 | Low | 65.1 | Low | 84 Ų | 84 | 65.2 Ų | 65.2 | 37% | 0.365 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 170.9 | -58.5 | 173.5 | -176.6 | 163.3 | 0 | 111.5 | D264 A270 K271 E581 | D264-K267 WeakPolarHBondContact O-CB 3.49Å; D264-K267 PolarHBondContact O-N 2.64Å; D264-K267 VanDerWaalsContact O-N 3.13Å; D264-K267 WeakPolarHBondContact OD1-CD 3.37Å; D264-K267 WeakPolarHBondContact OD1-CE 3.39Å; D264-K267 IonicContact OD1-NZ 3.46Å; D264-K267 PolarHBondContact OD1-NZ 2.97Å; K267-A270 PolarHBondContact O-N 2.88Å; K267-K271 PolarHBondContact O-N 3.21Å; K267-E581 VanDerWaalsContact CE-OE1 3.3Å; K267-E581 WeakPolarHBondContact CE-OE1 3.32Å; K267-E581 VanDerWaalsContact CE-OE2 3.27Å; K267-E581 WeakPolarHBondContact CE-OE2 3.13Å; K267-E581 IonicContact NZ-OE1 2.76Å; K267-E581 PolarHBondContact NZ-OE1 3.44Å; K267-E581 IonicContact NZ-OE2 2.7Å |
| 268 | E | 64.3 | Low | 66.8 | Low | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.3 | -59 | 173.4 | -168.8 | -150.6 | 132.8 | 0 | 0 | 109.7 | Y150 L151 R218 D264 R265 L266 A270 K271 I272 | Y150-E268 HydrophobicContact CE2-CG 4.42Å; L151-E268 HydrophobicContact CD2-CB 4.11Å; L151-E268 HydrophobicContact CD2-CG 3.75Å; R218-E268 WeakPolarHBondContact CD-OE1 3.45Å; R218-E268 IonicContact CZ-OE1 2.94Å; R218-E268 IonicContact NE-OE1 3.66Å; R218-E268 VanDerWaalsContact NH1-CD 3.35Å; R218-E268 IonicContact NH1-OE1 3.81Å; R218-E268 PolarHBondContact NH1-OE1 2.99Å; R218-E268 IonicContact NH1-OE2 2.71Å; R218-E268 PolarHBondContact NH1-OE2 3.47Å; D264-E268 WeakPolarHBondContact O-CB 3.35Å; D264-E268 PolarHBondContact O-N 3.03Å; R265-E268 WeakPolarHBondContact O-CB 3.29Å; L266-E268 VanDerWaalsContact C-N 3.33Å; E268-A270 PolarHBondContact O-N 3.08Å; E268-K271 PolarHBondContact O-N 3.09Å; E268-I272 HydrophobicContact CG-CD1 4.08Å; E268-I272 WeakPolarHBondContact O-CD1 3.5Å; E268-I272 VanDerWaalsContact O-CG1 3.24Å; E268-I272 WeakPolarHBondContact O-CG1 3.22Å; E268-I272 PolarHBondContact O-N 2.72Å |
| 269 | A | 62.9 | Low | 68.7 | Low | 16 Ų | 16 | 55.1 Ų | 55.1 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q256 R265 L266 K271 I272 N273 | Q256-A269 HydrophobicContact CG-CB 3.89Å; Q256-A269 PolarHBondContact NE2-O 3.3Å; R265-A269 WeakPolarHBondContact O-CB 3.39Å; R265-A269 PolarHBondContact O-N 2.69Å; L266-A269 PolarHBondContact O-N 2.88Å; A269-K271 VanDerWaalsContact C-N 3.35Å; A269-K271 PolarHBondContact O-N 2.87Å; A269-I272 WeakPolarHBondContact O-CB 3.4Å; A269-I272 PolarHBondContact O-N 2.94Å; A269-I272 VanDerWaalsContact O-N 3.1Å; A269-N273 PolarHBondContact O-N 2.75Å; A269-N273 PolarHBondContact O-OD1 2.88Å |
| 270 | A | 66 | Low | 70.5 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.4 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L266 K267 E268 N273 L274 | L266-A270 VanDerWaalsContact O-CB 3.24Å; L266-A270 WeakPolarHBondContact O-CB 3.49Å; L266-A270 PolarHBondContact O-N 3.29Å; K267-A270 PolarHBondContact O-N 2.88Å; E268-A270 PolarHBondContact O-N 3.08Å; A270-N273 PolarHBondContact O-N 2.84Å; A270-L274 PolarHBondContact O-N 3.35Å |
| 271 | K | 68.9 | Low | 72.2 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 39% | 0.391 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 173.6 | -81.3 | -174.5 | 146.9 | -154.6 | 0 | 112.8 | L151 K267 E268 A269 L274 | L151-K271 HydrophobicContact CB-CD 3.97Å; L151-K271 HydrophobicContact CD2-CB 4.02Å; L151-K271 HydrophobicContact CD2-CD 4.18Å; L151-K271 WeakPolarHBondContact O-CD 3.33Å; L151-K271 WeakPolarHBondContact O-CE 3.49Å; L151-K271 PolarHBondContact O-NZ 2.81Å; K267-K271 PolarHBondContact O-N 3.21Å; E268-K271 PolarHBondContact O-N 3.09Å; A269-K271 VanDerWaalsContact C-N 3.35Å; A269-K271 PolarHBondContact O-N 2.87Å; K271-L274 WeakPolarHBondContact O-CB 3.27Å; K271-L274 PolarHBondContact O-N 2.98Å |
| 272 | I | 66.9 | Low | 74 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 176.3 | -63.7 | 158.9 | 0 | 0 | 0 | 110.1 | Y150 R218 A251 E268 A269 L274 S275 | Y150-I272 HydrophobicContact CE2-CD1 4.42Å; R218-I272 HydrophobicContact CB-CD1 3.54Å; R218-I272 HydrophobicContact CB-CG1 4.43Å; R218-I272 HydrophobicContact CG-CD1 3.84Å; R218-I272 WeakPolarHBondContact O-CG1 3.26Å; A251-I272 HydrophobicContact CB-CG2 4.09Å; E268-I272 HydrophobicContact CG-CD1 4.08Å; E268-I272 WeakPolarHBondContact O-CD1 3.5Å; E268-I272 VanDerWaalsContact O-CG1 3.24Å; E268-I272 WeakPolarHBondContact O-CG1 3.22Å; E268-I272 PolarHBondContact O-N 2.72Å; A269-I272 WeakPolarHBondContact O-CB 3.4Å; A269-I272 PolarHBondContact O-N 2.94Å; A269-I272 VanDerWaalsContact O-N 3.1Å; I272-L274 VanDerWaalsContact C-N 3.3Å; I272-L274 PolarHBondContact O-N 3.18Å; I272-S275 PolarHBondContact O-N 3.22Å; I272-S275 PolarHBondContact O-OG 3.35Å |
| 273 | N | 70.2 | Confident | 75.9 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 20% | 0.203 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.1 | -23.6 | 178.1 | -73.5 | 54.2 | 0 | 0 | 0 | 113.1 | E254 Q256 A269 A270 L276 S277 | E254-N273 PolarHBondContact O-ND2 3.25Å; Q256-N273 PolarHBondContact NE2-OD1 3.35Å; Q256-N273 VanDerWaalsContact NE2-OD1 3.1Å; A269-N273 PolarHBondContact O-N 2.75Å; A269-N273 PolarHBondContact O-OD1 2.88Å; A270-N273 PolarHBondContact O-N 2.84Å; N273-L276 PolarHBondContact O-N 3.47Å; N273-S277 VanDerWaalsContact O-CB 3.23Å; N273-S277 WeakPolarHBondContact O-CB 3.45Å; N273-S277 PolarHBondContact O-N 3.05Å; N273-S277 PolarHBondContact O-OG 3.16Å |
| 274 | L | 80.9 | Confident | 76.9 | Confident | 84 Ų | 84 | 40.8 Ų | 40.8 | 44% | 0.44 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56 | -52.7 | 173.5 | 177.4 | 62.6 | 0 | 0 | 0 | 111.1 | E152 A270 K271 I272 L276 S277 A278 | E152-L274 HydrophobicContact CG-CD2 4.26Å; A270-L274 PolarHBondContact O-N 3.35Å; K271-L274 WeakPolarHBondContact O-CB 3.27Å; K271-L274 PolarHBondContact O-N 2.98Å; I272-L274 VanDerWaalsContact C-N 3.3Å; I272-L274 PolarHBondContact O-N 3.18Å; L274-L276 PolarHBondContact O-N 2.97Å; L274-S277 PolarHBondContact O-N 3.25Å; L274-S277 VanDerWaalsContact O-N 3.12Å; L274-A278 WeakPolarHBondContact O-CB 3.48Å; L274-A278 PolarHBondContact O-N 2.81Å |
| 275 | S | 85.1 | Confident | 78.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.2 | -43.6 | -180 | 67.3 | 0 | 0 | 0 | 0 | 113.8 | E152 H220 I272 L279 | E152-S275 WeakPolarHBondContact OE1-CB 3.24Å; H220-S275 PolarHBondContact NE2-OG 2.99Å; I272-S275 PolarHBondContact O-N 3.22Å; I272-S275 PolarHBondContact O-OG 3.35Å; S275-L279 PolarHBondContact O-N 3.01Å; S275-L279 VanDerWaalsContact O-N 3.07Å |
| 276 | L | 85.9 | Confident | 79.7 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.4 | -26.4 | 178.6 | -68.9 | -179.5 | 0 | 0 | 0 | 112.9 | Y96 L250 A251 G252 N273 L274 L279 G280 L301 | Y96-L276 HydrophobicContact CE2-CD2 4.25Å; L250-L276 HydrophobicContact CD1-CD2 4.4Å; A251-L276 HydrophobicContact CB-CD1 4.32Å; G252-L276 WeakPolarHBondContact O-CD1 3.26Å; N273-L276 PolarHBondContact O-N 3.47Å; L274-L276 PolarHBondContact O-N 2.97Å; L276-L279 HydrophobicContact CD2-CD2 4.39Å; L276-G280 PolarHBondContact O-N 3.48Å; L276-L301 HydrophobicContact CD2-CD2 4.5Å |
| 277 | S | 84.4 | Confident | 80.8 | Confident | 65 Ų | 65 | 31.6 Ų | 31.6 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74.8 | -38.8 | 173.3 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | N273 L274 G280 N281 | N273-S277 VanDerWaalsContact O-CB 3.23Å; N273-S277 WeakPolarHBondContact O-CB 3.45Å; N273-S277 PolarHBondContact O-N 3.05Å; N273-S277 PolarHBondContact O-OG 3.16Å; L274-S277 PolarHBondContact O-N 3.25Å; L274-S277 VanDerWaalsContact O-N 3.12Å; S277-G280 CarbonylContact O-C 3.52Å; S277-G280 VanDerWaalsContact O-CA 3.27Å; S277-G280 WeakPolarHBondContact O-CA 3.47Å; S277-G280 PolarHBondContact O-N 3Å; S277-G280 VanDerWaalsContact O-N 3.14Å; S277-N281 VanDerWaalsContact O-CG 3.29Å; S277-N281 PolarHBondContact O-N 2.91Å |
| 278 | A | 88.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L274 G280 N281 V282 D298 T302 | L274-A278 WeakPolarHBondContact O-CB 3.48Å; L274-A278 PolarHBondContact O-N 2.81Å; A278-G280 PolarHBondContact O-N 3.35Å; A278-N281 PolarHBondContact O-N 2.95Å; A278-N281 VanDerWaalsContact O-N 3.13Å; A278-V282 WeakPolarHBondContact O-CG2 3.02Å; A278-V282 PolarHBondContact O-N 3.44Å; A278-D298 HydrophobicContact CB-CB 3.74Å; A278-T302 HydrophobicContact CB-CG2 3.97Å |
| 279 | L | 91.3 | Very high | 82 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -41.5 | 171.9 | -156.6 | 75.8 | 0 | 0 | 0 | 110.8 | L250 S275 L276 N281 V282 I283 T302 L305 L309 Y337 | L250-L279 HydrophobicContact CD1-CD2 4.04Å; S275-L279 PolarHBondContact O-N 3.01Å; S275-L279 VanDerWaalsContact O-N 3.07Å; L276-L279 HydrophobicContact CD2-CD2 4.39Å; L279-N281 PolarHBondContact O-N 2.93Å; L279-V282 PolarHBondContact O-N 3.36Å; L279-I283 PolarHBondContact O-N 2.79Å; L279-T302 HydrophobicContact CB-CG2 4.09Å; L279-T302 HydrophobicContact CD1-CG2 3.82Å; L279-L305 HydrophobicContact CD1-CD1 3.97Å; L279-L309 HydrophobicContact CD1-CD1 3.72Å; L279-Y337 VanDerWaalsContact CG-OH 3.25Å; L279-Y337 WeakPolarHBondContact CG-OH 3.44Å; L279-Y337 PolarHBondContact O-OH 3.08Å |
| 280 | G | 89.1 | Confident | 82.5 | Confident | 16 Ų | 16 | 46 Ų | 46 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -49 | -50.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L276 S277 A278 S284 Y337 | L276-G280 PolarHBondContact O-N 3.48Å; S277-G280 CarbonylContact O-C 3.52Å; S277-G280 VanDerWaalsContact O-CA 3.27Å; S277-G280 WeakPolarHBondContact O-CA 3.47Å; S277-G280 PolarHBondContact O-N 3Å; S277-G280 VanDerWaalsContact O-N 3.14Å; A278-G280 PolarHBondContact O-N 3.35Å; G280-S284 WeakPolarHBondContact O-CB 2.99Å; G280-S284 PolarHBondContact O-N 3.41Å; G280-S284 VanDerWaalsContact O-N 3.17Å; G280-S284 PolarHBondContact O-OG 2.81Å; G280-Y337 PolarHBondContact N-OH 2.84Å |
| 281 | N | 88.8 | Confident | 82.8 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70 | -45.4 | 179.9 | -65.6 | -19.4 | 0 | 0 | 0 | 111.6 | S277 A278 L279 S284 A285 P295 | S277-N281 VanDerWaalsContact O-CG 3.29Å; S277-N281 PolarHBondContact O-N 2.91Å; A278-N281 PolarHBondContact O-N 2.95Å; A278-N281 VanDerWaalsContact O-N 3.13Å; L279-N281 PolarHBondContact O-N 2.93Å; N281-S284 PolarHBondContact O-N 2.96Å; N281-A285 WeakPolarHBondContact O-CB 3.43Å; N281-A285 PolarHBondContact O-N 3.29Å; N281-P295 HydrophobicContact CB-CG 3.89Å |
| 282 | V | 92.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58 | -49.9 | 177.7 | 166.1 | 0 | 0 | 0 | 0 | 111.4 | A278 L279 S284 A285 L286 V294 P295 Y296 T302 L309 | A278-V282 WeakPolarHBondContact O-CG2 3.02Å; A278-V282 PolarHBondContact O-N 3.44Å; L279-V282 PolarHBondContact O-N 3.36Å; V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 2.93Å; V282-A285 PolarHBondContact O-N 2.84Å; V282-L286 HydrophobicContact CG1-CD1 3.77Å; V282-L286 WeakPolarHBondContact O-CB 3.26Å; V282-L286 VanDerWaalsContact O-CG 3.31Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 2.89Å; V282-V294 HydrophobicContact CB-CG1 4.27Å; V282-V294 HydrophobicContact CG1-CG1 3.9Å; V282-V294 HydrophobicContact CG2-CG1 4.15Å; V282-P295 HydrophobicContact CG2-CG 4.12Å; V282-P295 WeakPolarHBondContact CG2-O 3.39Å; V282-Y296 HydrophobicContact CG1-CD1 3.87Å; V282-Y296 HydrophobicContact CG1-CE1 3.61Å; V282-Y296 HydrophobicContact CG2-CD1 4.13Å; V282-T302 HydrophobicContact CB-CG2 4.39Å; V282-T302 HydrophobicContact CG2-CG2 3.85Å; V282-L309 HydrophobicContact CG1-CB 4.32Å; V282-L309 HydrophobicContact CG1-CD1 4.1Å |
| 283 | I | 91.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 178.6 | -72.8 | -152 | 0 | 0 | 0 | 111.8 | F94 L279 A287 L309 Y337 R340 A341 I344 | F94-I283 HydrophobicContact CZ-CD1 4.46Å; L279-I283 PolarHBondContact O-N 2.79Å; I283-A287 WeakPolarHBondContact O-CB 3.46Å; I283-A287 PolarHBondContact O-N 2.79Å; I283-L309 HydrophobicContact CD1-CD1 4.35Å; I283-L309 HydrophobicContact CD1-CD2 4.12Å; I283-L309 HydrophobicContact CG1-CD1 4.05Å; I283-L309 HydrophobicContact CG1-CD2 4.39Å; I283-Y337 HydrophobicContact CB-CE2 3.68Å; I283-Y337 HydrophobicContact CD1-CE1 4.13Å; I283-Y337 HydrophobicContact CD1-CE2 4.18Å; I283-Y337 WeakPolarHBondContact CD1-OH 3.33Å; I283-Y337 HydrophobicContact CG1-CE2 4.2Å; I283-Y337 WeakPolarHBondContact CG1-OH 3.46Å; I283-Y337 HydrophobicContact CG2-CD2 4.17Å; I283-Y337 HydrophobicContact CG2-CE2 3.69Å; I283-R340 HydrophobicContact CG2-CB 3.97Å; I283-A341 HydrophobicContact CD1-CB 3.81Å; I283-A341 HydrophobicContact CG2-CB 4.14Å; I283-I344 HydrophobicContact CB-CD1 4.07Å; I283-I344 HydrophobicContact CD1-CD1 3.94Å; I283-I344 HydrophobicContact CG1-CD1 3.7Å; I283-I344 HydrophobicContact CG2-CD1 4.06Å |
| 284 | S | 87.9 | Confident | 85 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 179.2 | -56 | 0 | 0 | 0 | 0 | 111.8 | G280 N281 V282 A287 D288 R340 | G280-S284 WeakPolarHBondContact O-CB 2.99Å; G280-S284 PolarHBondContact O-N 3.41Å; G280-S284 VanDerWaalsContact O-N 3.17Å; G280-S284 PolarHBondContact O-OG 2.81Å; N281-S284 PolarHBondContact O-N 2.96Å; V282-S284 VanDerWaalsContact C-N 3.34Å; V282-S284 PolarHBondContact O-N 2.93Å; S284-A287 PolarHBondContact O-N 2.81Å; S284-D288 PolarHBondContact O-N 3.2Å; S284-R340 PolarHBondContact OG-NH1 2.9Å |
| 285 | A | 89.5 | Confident | 85.5 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 13% | 0.132 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | N281 V282 A287 D288 G289 S291 V294 | N281-A285 WeakPolarHBondContact O-CB 3.43Å; N281-A285 PolarHBondContact O-N 3.29Å; V282-A285 PolarHBondContact O-N 2.84Å; A285-A287 PolarHBondContact O-N 3.45Å; A285-D288 PolarHBondContact O-N 2.79Å; A285-G289 PolarHBondContact O-N 3.46Å; A285-S291 WeakPolarHBondContact CB-OG 3.13Å; A285-S291 PolarHBondContact O-OG 3.43Å; A285-V294 HydrophobicContact CB-CG1 4.45Å; A285-V294 HydrophobicContact CB-CG2 4.33Å |
| 286 | L | 90.1 | Very high | 85.8 | Confident | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -37.4 | 178.5 | -72.3 | 167.7 | 0 | 0 | 0 | 113.3 | V282 V294 Y296 L309 I344 | V282-L286 HydrophobicContact CG1-CD1 3.77Å; V282-L286 WeakPolarHBondContact O-CB 3.26Å; V282-L286 VanDerWaalsContact O-CG 3.31Å; V282-L286 WeakPolarHBondContact O-CG 3.39Å; V282-L286 PolarHBondContact O-N 2.89Å; L286-V294 HydrophobicContact CD1-CG1 4.34Å; L286-V294 HydrophobicContact CD2-CG1 4.35Å; L286-V294 HydrophobicContact CD2-CG2 3.95Å; L286-V294 HydrophobicContact CG-CG1 3.99Å; L286-V294 HydrophobicContact CG-CG2 4.24Å; L286-Y296 HydrophobicContact CD1-CE1 4.48Å; L286-L309 HydrophobicContact CD1-CB 3.79Å; L286-L309 WeakPolarHBondContact CD1-O 3.47Å; L286-I344 HydrophobicContact CB-CD1 4.14Å; L286-I344 HydrophobicContact CB-CG1 3.81Å; L286-I344 HydrophobicContact CB-CG2 4.18Å; L286-I344 HydrophobicContact CD1-CD1 4.19Å; L286-I344 HydrophobicContact CD1-CG2 4.09Å |
| 287 | A | 87 | Confident | 86 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.9 | -33.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I283 S284 A285 R340 N343 | I283-A287 WeakPolarHBondContact O-CB 3.46Å; I283-A287 PolarHBondContact O-N 2.79Å; S284-A287 PolarHBondContact O-N 2.81Å; A285-A287 PolarHBondContact O-N 3.45Å; A287-R340 HydrophobicContact CB-CB 3.96Å; A287-R340 WeakPolarHBondContact CB-O 3.44Å; A287-N343 HydrophobicContact CB-CB 4.26Å |
| 288 | D | 80.7 | Confident | 86.1 | Confident | 115 Ų | 115 | 60.4 Ų | 60.4 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -74.8 | -24.7 | 177.5 | -80.7 | -7.6 | 0 | 0 | 0 | 112.8 | S284 A285 R290 | S284-D288 PolarHBondContact O-N 3.2Å; A285-D288 PolarHBondContact O-N 2.79Å; D288-R290 WeakPolarHBondContact O-CG 3.48Å; D288-R290 PolarHBondContact O-N 2.77Å |
| 289 | G | 73.8 | Confident | 86.2 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 72% | 0.722 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 64.9 | 2.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A285 | A285-G289 PolarHBondContact O-N 3.46Š|
| 290 | R | 73.4 | Confident | 86.2 | Confident | 235 Ų | 235 | 62.6 Ų | 62.6 | 89% | 0.887 | 34% | 0.339 | S | S | * | . | trans | -102 | -16.6 | -176.2 | -67.6 | 169.6 | -170.1 | -173.9 | 3.2 | 113.7 | D288 S292 | D288-R290 WeakPolarHBondContact O-CG 3.48Å; D288-R290 PolarHBondContact O-N 2.77Å; R290-S292 PolarHBondContact O-N 2.82Å | ||
| 291 | S | 73.1 | Confident | 86.3 | Confident | 48 Ų | 48 | 61.8 Ų | 61.8 | 34% | 0.336 | 33% | 0.332 | S | S | . | . | trans | -74.4 | 120.7 | 179.5 | 57 | 0 | 0 | 0 | 0 | 111 | A285 H293 | A285-S291 WeakPolarHBondContact CB-OG 3.13Å; A285-S291 PolarHBondContact O-OG 3.43Å; S291-H293 VanDerWaalsContact C-N 3.27Å; S291-H293 PolarHBondContact O-N 2.7Å | ||
| 292 | S | 77 | Confident | 86.5 | Confident | 134 Ų | 134 | 57.7 Ų | 57.7 | 94% | 0.937 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -72.3 | -20.5 | 172.7 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | R290 | R290-S292 PolarHBondContact O-N 2.82Š|
| 293 | H | 86.1 | Confident | 86.5 | Confident | 141 Ų | 141 | 58.6 Ų | 58.6 | 65% | 0.653 | 31% | 0.313 | S | S | * | . | trans | -127.4 | 135.5 | 178.4 | 179.5 | -96.2 | 0 | 0 | 0 | 109.8 | S291 | S291-H293 VanDerWaalsContact C-N 3.27Å; S291-H293 PolarHBondContact O-N 2.7Å | ||
| 294 | V | 90 | Very high | 86.6 | Confident | 25 Ų | 25 | 60 Ų | 60 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | trans | -115.7 | 123.9 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | V282 A285 L286 Y296 | V282-V294 HydrophobicContact CB-CG1 4.27Å; V282-V294 HydrophobicContact CG1-CG1 3.9Å; V282-V294 HydrophobicContact CG2-CG1 4.15Å; A285-V294 HydrophobicContact CB-CG1 4.45Å; A285-V294 HydrophobicContact CB-CG2 4.33Å; L286-V294 HydrophobicContact CD1-CG1 4.34Å; L286-V294 HydrophobicContact CD2-CG1 4.35Å; L286-V294 HydrophobicContact CD2-CG2 3.95Å; L286-V294 HydrophobicContact CG-CG1 3.99Å; L286-V294 HydrophobicContact CG-CG2 4.24Å; V294-Y296 VanDerWaalsContact C-N 3.27Å; V294-Y296 HydrophobicContact CB-CD2 4.14Å; V294-Y296 HydrophobicContact CB-CE2 3.6Å; V294-Y296 HydrophobicContact CG1-CD1 4.33Å; V294-Y296 HydrophobicContact CG1-CD2 4.05Å; V294-Y296 HydrophobicContact CG1-CE1 3.85Å; V294-Y296 HydrophobicContact CG1-CE2 3.56Å; V294-Y296 HydrophobicContact CG1-CG 4.41Å; V294-Y296 VanDerWaalsContact CG1-CZ 3.44Å; V294-Y296 WeakPolarHBondContact O-CD2 3.15Å; V294-Y296 PolarHBondContact O-N 2.81Å | ||
| 295 | P | 90.6 | Very high | 86.8 | Confident | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | trans | -81.6 | 60.9 | -166.5 | 33.3 | -37 | 0 | 0 | 0 | 113.4 | N281 V282 R297 D298 | N281-P295 HydrophobicContact CB-CG 3.89Å; V282-P295 HydrophobicContact CG2-CG 4.12Å; V282-P295 WeakPolarHBondContact CG2-O 3.39Å; P295-R297 PolarHBondContact O-N 3.36Å; P295-D298 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 296 | Y | 90.9 | Very high | 86.9 | Confident | 38 Ų | 38 | 61 Ų | 61 | 15% | 0.149 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -65.5 | -25.4 | 178.6 | -59 | -75.8 | 0 | 0 | 0 | 113.3 | V282 L286 V294 T302 R303 Q306 L309 | V282-Y296 HydrophobicContact CG1-CD1 3.87Å; V282-Y296 HydrophobicContact CG1-CE1 3.61Å; V282-Y296 HydrophobicContact CG2-CD1 4.13Å; L286-Y296 HydrophobicContact CD1-CE1 4.48Å; V294-Y296 VanDerWaalsContact C-N 3.27Å; V294-Y296 HydrophobicContact CB-CD2 4.14Å; V294-Y296 HydrophobicContact CB-CE2 3.6Å; V294-Y296 HydrophobicContact CG1-CD1 4.33Å; V294-Y296 HydrophobicContact CG1-CD2 4.05Å; V294-Y296 HydrophobicContact CG1-CE1 3.85Å; V294-Y296 HydrophobicContact CG1-CE2 3.56Å; V294-Y296 HydrophobicContact CG1-CG 4.41Å; V294-Y296 VanDerWaalsContact CG1-CZ 3.44Å; V294-Y296 WeakPolarHBondContact O-CD2 3.15Å; V294-Y296 PolarHBondContact O-N 2.81Å; Y296-T302 CarbonylContact O-C 3.28Å; Y296-T302 VanDerWaalsContact O-C 3.28Å; Y296-T302 VanDerWaalsContact O-CB 3.23Å; Y296-T302 WeakPolarHBondContact O-CB 3.38Å; Y296-T302 PolarHBondContact O-OG1 2.76Å; Y296-R303 WeakPolarHBondContact O-CG 3.34Å; Y296-R303 PolarHBondContact O-N 3.48Å; Y296-Q306 HydrophobicContact CD1-CB 3.9Å; Y296-Q306 HydrophobicContact CD1-CG 3.81Å; Y296-Q306 HydrophobicContact CD2-CG 3.85Å; Y296-Q306 HydrophobicContact CE1-CB 4.33Å; Y296-Q306 HydrophobicContact CE1-CG 4.04Å; Y296-Q306 HydrophobicContact CE2-CG 4.05Å; Y296-Q306 HydrophobicContact CG-CB 4.12Å; Y296-Q306 HydrophobicContact CG-CG 3.72Å; Y296-L309 PolarHBondContact OH-O 3.35Å |
| 297 | R | 89.7 | Confident | 86.9 | Confident | 155 Ų | 155 | 61.5 Ų | 61.5 | 59% | 0.585 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -79.5 | -13.8 | -175 | -69.8 | -172.6 | 170.1 | -164.1 | -4 | 114.4 | E172 P295 S299 R303 | E172-R297 IonicContact OE1-NE 2.72Å; E172-R297 IonicContact OE1-NH2 3.38Å; E172-R297 PolarHBondContact OE1-NH2 3.12Å; E172-R297 IonicContact OE2-CZ 3.7Å; E172-R297 IonicContact OE2-NH2 3.69Å; E172-R297 PolarHBondContact OE2-NH2 2.87Å; P295-R297 PolarHBondContact O-N 3.36Å; R297-S299 PolarHBondContact O-N 2.94Å; R297-S299 VanDerWaalsContact O-N 3.09Å; R297-R303 HydrophobicContact CG-CG 4.26Å |
| 298 | D | 86.4 | Confident | 87.2 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -63 | -13.9 | -179.3 | -65.9 | 28.1 | 0 | 0 | 0 | 114.3 | A278 P295 | A278-D298 HydrophobicContact CB-CB 3.74Å; P295-D298 WeakPolarHBondContact CB-OD1 3.19Å |
| 299 | S | 90.9 | Very high | 87.8 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | trans | -151.9 | 155.1 | 167 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | E152 R297 L301 T302 R303 | E152-S299 WeakPolarHBondContact OE2-CA 3.42Å; E152-S299 VanDerWaalsContact OE2-CB 3.26Å; E152-S299 WeakPolarHBondContact OE2-CB 3.5Å; R297-S299 PolarHBondContact O-N 2.94Å; R297-S299 VanDerWaalsContact O-N 3.09Å; S299-L301 PolarHBondContact O-N 3.26Å; S299-T302 PolarHBondContact N-OG1 3.31Å; S299-T302 PolarHBondContact O-N 3.26Å; S299-T302 PolarHBondContact O-OG1 3.22Å; S299-T302 PolarHBondContact OG-N 2.63Å; S299-T302 PolarHBondContact OG-OG1 2.9Å; S299-R303 PolarHBondContact O-N 2.83Å; S299-R303 VanDerWaalsContact O-N 3.1Å | ||
| 300 | K | 90.8 | Very high | 88.4 | Confident | 46 Ų | 46 | 53 Ų | 53 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -31.6 | 172.6 | -55.1 | -69.9 | -175.6 | 176.4 | 0 | 110.7 | E152 I154 L170 L304 E611 | E152-K300 WeakPolarHBondContact O-CG 3.35Å; E152-K300 PolarHBondContact OE2-N 2.95Å; I154-K300 HydrophobicContact CD1-CB 4.37Å; I154-K300 HydrophobicContact CG1-CB 4.47Å; L170-K300 HydrophobicContact CD1-CB 3.87Å; L170-K300 HydrophobicContact CD1-CD 3.86Å; L170-K300 HydrophobicContact CD1-CG 4.4Å; L170-K300 HydrophobicContact CG-CD 4.32Å; K300-L304 PolarHBondContact O-N 2.87Å; K300-L304 VanDerWaalsContact O-N 3.07Å; K300-E611 IonicContact NZ-OE2 2.58Å; K300-E611 PolarHBondContact NZ-OE2 2.97Å |
| 301 | L | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 172.4 | 176.9 | 68.1 | 0 | 0 | 0 | 112.1 | I149 H220 L222 L250 L276 S299 R303 L304 L305 | I149-L301 HydrophobicContact CD1-CB 4Å; I149-L301 HydrophobicContact CD1-CD1 3.95Å; H220-L301 HydrophobicContact CB-CD1 4.32Å; L222-L301 HydrophobicContact CD1-CD1 4.46Å; L250-L301 HydrophobicContact CD2-CD1 3.97Å; L250-L301 HydrophobicContact CD2-CD2 4.05Å; L276-L301 HydrophobicContact CD2-CD2 4.5Å; S299-L301 PolarHBondContact O-N 3.26Å; L301-R303 PolarHBondContact O-N 2.81Å; L301-L304 PolarHBondContact O-N 2.87Å; L301-L305 HydrophobicContact CD1-CD1 3.8Å; L301-L305 HydrophobicContact CD1-CG 4.26Å; L301-L305 HydrophobicContact CG-CD1 4.18Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 2.85Å |
| 302 | T | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70 | -29.3 | -179.7 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | A278 L279 V282 Y296 S299 Q306 | A278-T302 HydrophobicContact CB-CG2 3.97Å; L279-T302 HydrophobicContact CB-CG2 4.09Å; L279-T302 HydrophobicContact CD1-CG2 3.82Å; V282-T302 HydrophobicContact CB-CG2 4.39Å; V282-T302 HydrophobicContact CG2-CG2 3.85Å; Y296-T302 CarbonylContact O-C 3.28Å; Y296-T302 VanDerWaalsContact O-C 3.28Å; Y296-T302 VanDerWaalsContact O-CB 3.23Å; Y296-T302 WeakPolarHBondContact O-CB 3.38Å; Y296-T302 PolarHBondContact O-OG1 2.76Å; S299-T302 PolarHBondContact N-OG1 3.31Å; S299-T302 PolarHBondContact O-N 3.26Å; S299-T302 PolarHBondContact O-OG1 3.22Å; S299-T302 PolarHBondContact OG-N 2.63Å; S299-T302 PolarHBondContact OG-OG1 2.9Å; T302-Q306 PolarHBondContact O-N 2.72Å; T302-Q306 VanDerWaalsContact O-N 3.1Å |
| 303 | R | 92.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 8% | 0.075 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -48.4 | 168.6 | -70.1 | -177.7 | 74.1 | -166.8 | -5.6 | 110.7 | L170 E172 V178 Y296 R297 S299 L301 L305 Q306 E611 | L170-R303 HydrophobicContact CD1-CB 3.67Å; L170-R303 HydrophobicContact CD1-CG 4.46Å; L170-R303 PolarHBondContact O-NH2 2.94Å; E172-R303 IonicContact OE1-CZ 3.82Å; E172-R303 IonicContact OE1-NE 2.94Å; E172-R303 PolarHBondContact OE1-NE 3.44Å; E172-R303 IonicContact OE1-NH2 3.78Å; E172-R303 PolarHBondContact OE1-NH2 2.74Å; V178-R303 HydrophobicContact CG1-CB 4.31Å; V178-R303 WeakPolarHBondContact CG2-O 3.28Å; Y296-R303 WeakPolarHBondContact O-CG 3.34Å; Y296-R303 PolarHBondContact O-N 3.48Å; R297-R303 HydrophobicContact CG-CG 4.26Å; S299-R303 PolarHBondContact O-N 2.83Å; S299-R303 VanDerWaalsContact O-N 3.1Å; L301-R303 PolarHBondContact O-N 2.81Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 2.89Å; R303-Q306 WeakPolarHBondContact O-CB 3.49Å; R303-Q306 PolarHBondContact O-N 2.79Å; R303-E611 IonicContact NH1-OE1 3.72Å |
| 304 | L | 92.1 | Very high | 91.3 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 15% | 0.152 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -32.6 | 178.3 | -79.4 | 167.1 | 0 | 0 | 0 | 113.7 | I149 I154 L170 V178 V180 L222 K300 L301 | I149-L304 HydrophobicContact CD1-CD1 3.77Å; I154-L304 HydrophobicContact CD1-CD1 4.03Å; L170-L304 HydrophobicContact CD1-CG 4.24Å; L170-L304 HydrophobicContact CD2-CD1 4.11Å; L170-L304 HydrophobicContact CD2-CD2 3.7Å; L170-L304 HydrophobicContact CD2-CG 3.76Å; V178-L304 HydrophobicContact CG1-CD2 4.44Å; V180-L304 HydrophobicContact CG2-CD1 4.38Å; V180-L304 HydrophobicContact CG2-CD2 3.8Å; L222-L304 HydrophobicContact CD2-CB 4.49Å; L222-L304 HydrophobicContact CD2-CD1 4.43Å; K300-L304 PolarHBondContact O-N 2.87Å; K300-L304 VanDerWaalsContact O-N 3.07Å; L301-L304 PolarHBondContact O-N 2.87Å |
| 305 | L | 92.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 7.3 | 177.3 | -61.8 | -178 | 0 | 0 | 0 | 114.1 | T92 V248 L279 L301 R303 D307 S308 L309 | T92-L305 HydrophobicContact CG2-CD2 4.24Å; V248-L305 HydrophobicContact CG2-CD2 4.29Å; L279-L305 HydrophobicContact CD1-CD1 3.97Å; L301-L305 HydrophobicContact CD1-CD1 3.8Å; L301-L305 HydrophobicContact CD1-CG 4.26Å; L301-L305 HydrophobicContact CG-CD1 4.18Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 2.85Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 2.89Å; L305-D307 VanDerWaalsContact C-N 3.34Å; L305-D307 PolarHBondContact O-N 2.81Å; L305-S308 WeakPolarHBondContact O-CA 3.07Å; L305-S308 VanDerWaalsContact O-CB 3.28Å; L305-S308 WeakPolarHBondContact O-CB 3.41Å; L305-S308 PolarHBondContact O-N 3.37Å; L305-L309 PolarHBondContact O-N 2.83Å; L305-L309 VanDerWaalsContact O-N 3.13Å |
| 306 | Q | 92 | Very high | 92 | Very high | 57 Ų | 57 | 28.9 Ų | 28.9 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -41.6 | -178.6 | -178.3 | 173.5 | -53.8 | 0 | 0 | 112.9 | V178 Y296 T302 R303 S308 | V178-Q306 HydrophobicContact CG2-CB 4.47Å; Y296-Q306 HydrophobicContact CD1-CB 3.9Å; Y296-Q306 HydrophobicContact CD1-CG 3.81Å; Y296-Q306 HydrophobicContact CD2-CG 3.85Å; Y296-Q306 HydrophobicContact CE1-CB 4.33Å; Y296-Q306 HydrophobicContact CE1-CG 4.04Å; Y296-Q306 HydrophobicContact CE2-CG 4.05Å; Y296-Q306 HydrophobicContact CG-CB 4.12Å; Y296-Q306 HydrophobicContact CG-CG 3.72Å; T302-Q306 PolarHBondContact O-N 2.72Å; T302-Q306 VanDerWaalsContact O-N 3.1Å; R303-Q306 WeakPolarHBondContact O-CB 3.49Å; R303-Q306 PolarHBondContact O-N 2.79Å; Q306-S308 PolarHBondContact O-N 2.88Å |
| 307 | D | 90.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 27 Ų | 27 | 25% | 0.251 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.6 | 174.8 | -85.5 | -50.8 | 0 | 0 | 0 | 113.5 | L305 G311 N312 A313 | L305-D307 VanDerWaalsContact C-N 3.34Å; L305-D307 PolarHBondContact O-N 2.81Å; D307-G311 CarbonylContact O-C 3.6Å; D307-G311 WeakPolarHBondContact O-CA 3.31Å; D307-N312 CarbonylContact O-C 3.21Å; D307-N312 PolarHBondContact O-N 3.13Å; D307-N312 PolarHBondContact OD1-N 3.46Å; D307-A313 VanDerWaalsContact O-CB 3.28Å; D307-A313 WeakPolarHBondContact O-CB 3.31Å; D307-A313 PolarHBondContact O-N 2.79Å; D307-A313 VanDerWaalsContact O-N 3.15Å |
| 308 | S | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -23.8 | -177.8 | -50.7 | 0 | 0 | 0 | 0 | 113.5 | T92 L305 Q306 T315 N346 | T92-S308 WeakPolarHBondContact CB-OG 3.26Å; T92-S308 PolarHBondContact OG1-OG 2.9Å; L305-S308 WeakPolarHBondContact O-CA 3.07Å; L305-S308 VanDerWaalsContact O-CB 3.28Å; L305-S308 WeakPolarHBondContact O-CB 3.41Å; L305-S308 PolarHBondContact O-N 3.37Å; Q306-S308 PolarHBondContact O-N 2.88Å; S308-T315 PolarHBondContact O-OG1 3.11Å; S308-N346 PolarHBondContact O-ND2 2.87Å |
| 309 | L | 92.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -122 | 97.7 | -176.2 | -61 | 175.6 | 0 | 0 | 0 | 108.3 | F94 L279 V282 I283 L286 Y296 L305 G311 I344 | F94-L309 HydrophobicContact CE1-CD2 4.24Å; F94-L309 HydrophobicContact CZ-CD2 4.42Å; L279-L309 HydrophobicContact CD1-CD1 3.72Å; V282-L309 HydrophobicContact CG1-CB 4.32Å; V282-L309 HydrophobicContact CG1-CD1 4.1Å; I283-L309 HydrophobicContact CD1-CD1 4.35Å; I283-L309 HydrophobicContact CD1-CD2 4.12Å; I283-L309 HydrophobicContact CG1-CD1 4.05Å; I283-L309 HydrophobicContact CG1-CD2 4.39Å; L286-L309 HydrophobicContact CD1-CB 3.79Å; L286-L309 WeakPolarHBondContact CD1-O 3.47Å; Y296-L309 PolarHBondContact OH-O 3.35Å; L305-L309 PolarHBondContact O-N 2.83Å; L305-L309 VanDerWaalsContact O-N 3.13Å; L309-G311 VanDerWaalsContact C-N 3.3Å; L309-G311 PolarHBondContact O-N 2.95Å; L309-I344 HydrophobicContact CD2-CD1 4.13Å |
| 310 | G | 87.3 | Confident | 93.5 | Very high | 24 Ų | 24 | 15.7 Ų | 15.7 | 25% | 0.247 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 83 | -5.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | N346 | G310-N346 WeakPolarHBondContact CA-OD1 3.43Å; G310-N346 PolarHBondContact N-OD1 2.88Å |
| 311 | G | 90.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 13.6 Ų | 13.6 | 18% | 0.175 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -101 | -152.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | D307 L309 A313 Q347 | D307-G311 CarbonylContact O-C 3.6Å; D307-G311 WeakPolarHBondContact O-CA 3.31Å; L309-G311 VanDerWaalsContact C-N 3.3Å; L309-G311 PolarHBondContact O-N 2.95Å; G311-A313 PolarHBondContact O-N 2.89Å; G311-Q347 PolarHBondContact O-N 2.85Å |
| 312 | N | 91.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 13.6 Ų | 13.6 | 19% | 0.187 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -90.4 | 66.6 | 179.9 | 179.5 | 36.2 | 0 | 0 | 0 | 112.1 | N90 D307 R349 N351 | N90-N312 VanDerWaalsContact CB-O 3.3Å; N90-N312 WeakPolarHBondContact CB-O 3.34Å; N90-N312 PolarHBondContact ND2-O 2.95Å; D307-N312 CarbonylContact O-C 3.21Å; D307-N312 PolarHBondContact O-N 3.13Å; D307-N312 PolarHBondContact OD1-N 3.46Å; N312-R349 WeakPolarHBondContact OD1-CB 3.49Å; N312-R349 PolarHBondContact OD1-N 3.02Å; N312-N351 PolarHBondContact ND2-OD1 2.81Å |
| 313 | A | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -154.5 | 158.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N90 D307 G311 N346 | N90-A313 HydrophobicContact CB-CB 3.68Å; N90-A313 WeakPolarHBondContact O-CA 3.3Å; D307-A313 VanDerWaalsContact O-CB 3.28Å; D307-A313 WeakPolarHBondContact O-CB 3.31Å; D307-A313 PolarHBondContact O-N 2.79Å; D307-A313 VanDerWaalsContact O-N 3.15Å; G311-A313 PolarHBondContact O-N 2.89Å; A313-N346 VanDerWaalsContact O-CB 3.26Å; A313-N346 WeakPolarHBondContact O-CB 3.44Å; A313-N346 PolarHBondContact O-ND2 3.18Å |
| 314 | K | 95.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 13.3 Ų | 13.3 | 16% | 0.161 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 144.3 | 159.4 | -60.3 | -163 | -179.5 | -142 | 0 | 108.9 | E8 L81 S84 N90 G91 T92 P348 | E8-K314 IonicContact OE1-NZ 3.32Å; E8-K314 WeakPolarHBondContact OE2-CD 3.34Å; E8-K314 WeakPolarHBondContact OE2-CE 3.37Å; E8-K314 IonicContact OE2-NZ 3.65Å; E8-K314 PolarHBondContact OE2-NZ 2.86Å; L81-K314 HydrophobicContact CD1-CB 4.32Å; L81-K314 HydrophobicContact CG-CB 4.46Å; S84-K314 WeakPolarHBondContact OG-CD 3.29Å; S84-K314 WeakPolarHBondContact OG-CE 3.44Å; S84-K314 PolarHBondContact OG-NZ 3.2Å; N90-K314 PolarHBondContact O-N 3Å; G91-K314 CarbonylContact C-O 3.56Å; G91-K314 VanDerWaalsContact CA-O 3.31Å; G91-K314 WeakPolarHBondContact CA-O 3.48Å; T92-K314 PolarHBondContact N-O 2.66Å; K314-P348 HydrophobicContact CG-CB 3.7Å; K314-P348 HydrophobicContact CG-CG 4.06Å |
| 315 | T | 96.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 135.9 | -175.4 | -60 | 0 | 0 | 0 | 0 | 112.5 | V10 K11 T92 F94 S308 N346 | V10-T315 HydrophobicContact CG1-CG2 4.05Å; K11-T315 PolarHBondContact N-O 3.45Å; T92-T315 HydrophobicContact CG2-CG2 4.28Å; T92-T315 CarbonylContact O-C 3.53Å; T92-T315 VanDerWaalsContact O-CA 3.27Å; T92-T315 WeakPolarHBondContact O-CA 3.49Å; F94-T315 HydrophobicContact CD1-CG2 3.93Å; F94-T315 HydrophobicContact CE1-CG2 3.67Å; S308-T315 PolarHBondContact O-OG1 3.11Å; T315-N346 PolarHBondContact OG1-ND2 2.79Å |
| 316 | V | 97.9 | Very high | 93 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 2% | 0.024 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.9 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 108.5 | K11 V13 L81 T92 I93 F94 V318 | K11-V316 HydrophobicContact CB-CG2 4.24Å; K11-V316 CarbonylContact O-C 3.54Å; K11-V316 WeakPolarHBondContact O-CA 3.37Å; V13-V316 HydrophobicContact CG2-CG1 4.4Å; L81-V316 HydrophobicContact CD1-CB 4.27Å; L81-V316 HydrophobicContact CD1-CG2 3.73Å; T92-V316 PolarHBondContact O-N 3.39Å; I93-V316 WeakPolarHBondContact CA-O 3.48Å; I93-V316 HydrophobicContact CG1-CB 4.46Å; F94-V316 PolarHBondContact N-O 2.8Å; F94-V316 VanDerWaalsContact N-O 3.09Å; V316-V318 HydrophobicContact CG1-CG2 4.2Å |
| 317 | M | 97.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 128.5 | 168.8 | 177.4 | 179.2 | 179 | 0 | 0 | 109.3 | K11 V12 V13 F94 Y96 A319 Y337 A338 A341 | K11-M317 PolarHBondContact O-N 2.88Å; V12-M317 HydrophobicContact CG1-CB 4.42Å; V12-M317 HydrophobicContact CG1-CG 4.45Å; V12-M317 HydrophobicContact CG1-SD 4.25Å; V12-M317 HydrophobicContact CG2-CB 4.17Å; V12-M317 HydrophobicContact CG2-SD 4.47Å; V13-M317 PolarHBondContact N-O 3.3Å; F94-M317 HydrophobicContact CD2-CG 4.2Å; F94-M317 HydrophobicContact CE1-CB 3.9Å; F94-M317 HydrophobicContact CE1-CG 4.38Å; F94-M317 HydrophobicContact CE2-CB 3.96Å; F94-M317 HydrophobicContact CE2-CE 4.34Å; F94-M317 HydrophobicContact CE2-CG 3.5Å; F94-M317 HydrophobicContact CE2-SD 3.93Å; F94-M317 HydrophobicContact CZ-CB 3.58Å; F94-M317 HydrophobicContact CZ-CG 3.61Å; F94-M317 HydrophobicContact CZ-SD 3.93Å; Y96-M317 HydrophobicContact CD1-CE 3.7Å; Y96-M317 HydrophobicContact CG-CE 3.87Å; M317-A319 HydrophobicContact CE-CB 4.33Å; M317-Y337 HydrophobicContact CE-CD1 3.65Å; M317-Y337 HydrophobicContact CE-CE1 4.06Å; M317-A338 HydrophobicContact CE-CB 4.04Å; M317-A338 HydrophobicContact SD-CB 4.4Å; M317-A341 HydrophobicContact SD-CB 3.5Å; M317-A341 WeakPolarHBondContact SD-CB 3.38Å |
| 318 | V | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 103.5 | 171.2 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | V13 L73 I93 F94 A95 Y96 T106 V316 T320 | V13-V318 HydrophobicContact CG2-CB 4.33Å; V13-V318 HydrophobicContact CG2-CG1 4.22Å; V13-V318 HydrophobicContact CG2-CG2 3.9Å; V13-V318 WeakPolarHBondContact O-CA 3.19Å; L73-V318 HydrophobicContact CD1-CG1 4.34Å; I93-V318 HydrophobicContact CG2-CG2 4.34Å; F94-V318 PolarHBondContact O-N 2.97Å; A95-V318 WeakPolarHBondContact CA-O 3.43Å; Y96-V318 PolarHBondContact N-O 3Å; T106-V318 HydrophobicContact CG2-CG1 4.03Å; V316-V318 HydrophobicContact CG1-CG2 4.2Å; V318-T320 HydrophobicContact CG1-CG2 4.27Å |
| 319 | A | 97.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 114.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V13 V14 R15 M317 T334 A338 | V13-A319 PolarHBondContact O-N 2.84Å; V14-A319 CarbonylContact C-O 3.57Å; V14-A319 WeakPolarHBondContact CA-O 3.01Å; V14-A319 HydrophobicContact CG1-CB 4.45Å; V14-A319 HydrophobicContact CG2-CB 4.24Å; R15-A319 PolarHBondContact N-O 3.27Å; M317-A319 HydrophobicContact CE-CB 4.33Å; A319-T334 HydrophobicContact CB-CG2 4.12Å; A319-A338 HydrophobicContact CB-CB 3.87Å |
| 320 | T | 96.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.4 | -175.1 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | R15 Y96 T101 K103 V318 | R15-T320 CarbonylContact O-C 3.57Å; R15-T320 WeakPolarHBondContact O-CA 3.23Å; Y96-T320 PolarHBondContact O-N 2.94Å; Y96-T320 PolarHBondContact O-OG1 3.28Å; T101-T320 WeakPolarHBondContact CB-O 3.35Å; T101-T320 PolarHBondContact OG1-O 3.5Å; T101-T320 PolarHBondContact OG1-OG1 3.32Å; K103-T320 WeakPolarHBondContact CG-OG1 3.35Å; V318-T320 HydrophobicContact CG1-CG2 4.27Å |
| 321 | L | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.1 | -170 | -54.8 | -174.9 | 0 | 0 | 0 | 112.9 | V14 R15 C16 R17 V42 T331 T334 L335 | V14-L321 HydrophobicContact CG1-CD1 3.39Å; V14-L321 HydrophobicContact CG1-CG 3.72Å; R15-L321 PolarHBondContact O-N 3.31Å; C16-L321 HydrophobicContact CB-CB 4.25Å; C16-L321 PolarHBondContact SG-O 2.82Å; R17-L321 PolarHBondContact N-O 3.01Å; V42-L321 HydrophobicContact CG1-CD1 4.27Å; L321-T331 HydrophobicContact CB-CG2 4.3Å; L321-T331 HydrophobicContact CD1-CG2 4.05Å; L321-T331 HydrophobicContact CD2-CG2 4.06Å; L321-T331 HydrophobicContact CG-CG2 4.37Å; L321-T334 HydrophobicContact CD2-CG2 3.5Å; L321-L335 HydrophobicContact CD1-CD1 4.12Å; L321-L335 HydrophobicContact CD1-CD2 3.97Å; L321-L335 HydrophobicContact CD1-CG 3.97Å; L321-L335 HydrophobicContact CD2-CG 4.36Å |
| 322 | G | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -94.8 | 129.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A324 | G322-A324 VanDerWaalsContact C-N 3.3Å; G322-A324 PolarHBondContact O-N 3.5Å | ||
| 323 | P | 91.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 14.8 Ų | 14.8 | 8% | 0.078 | 8% | 0.076 | C | C | . | . | trans | -77.6 | -8.5 | -175.7 | 30.9 | -37.5 | 0 | 0 | 0 | 114.7 | R17 L19 G31 I32 | R17-P323 VanDerWaalsContact O-CD 3.32Å; R17-P323 WeakPolarHBondContact O-CD 3.49Å; R17-P323 VanDerWaalsContact O-CG 3.28Å; R17-P323 WeakPolarHBondContact O-CG 3.38Å; L19-P323 HydrophobicContact CB-CG 4.45Å; L19-P323 HydrophobicContact CD2-CB 4.34Å; L19-P323 HydrophobicContact CD2-CG 3.81Å; L19-P323 HydrophobicContact CG-CB 4.38Å; L19-P323 HydrophobicContact CG-CG 3.8Å; G31-P323 CarbonylContact C-O 3.51Å; G31-P323 WeakPolarHBondContact CA-O 3.3Å; I32-P323 VanDerWaalsContact CG1-O 3.27Å; I32-P323 WeakPolarHBondContact CG1-O 3.15Å; I32-P323 PolarHBondContact N-O 2.77Å | ||
| 324 | A | 89.8 | Confident | 92.3 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 3% | 0.025 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -80.4 | 141.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L19 E23 I32 G322 Q326 H327 | L19-A324 HydrophobicContact CD2-CB 3.95Å; E23-A324 HydrophobicContact CB-CB 3.9Å; E23-A324 HydrophobicContact CG-CB 3.7Å; I32-A324 WeakPolarHBondContact CD1-O 3.31Å; G322-A324 VanDerWaalsContact C-N 3.3Å; G322-A324 PolarHBondContact O-N 3.5Å; A324-Q326 HydrophobicContact CB-CG 4.17Å; A324-Q326 PolarHBondContact O-N 3.5Å; A324-H327 PolarHBondContact O-N 2.97Å |
| 325 | P | 88 | Confident | 92.3 | Very high | 26 Ų | 26 | 13.1 Ų | 13.1 | 17% | 0.169 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -54.3 | -32 | -175.3 | -28 | 33.9 | 0 | 0 | 0 | 116.1 | P28 I32 P47 H327 Y328 | P28-P325 HydrophobicContact CG-CG 4.18Å; I32-P325 HydrophobicContact CG2-CB 4.02Å; I32-P325 HydrophobicContact CG2-CG 4.1Å; P47-P325 HydrophobicContact CB-CB 4.13Å; P47-P325 HydrophobicContact CG-CB 4.22Å; P325-H327 PolarHBondContact O-N 3.17Å; P325-Y328 WeakPolarHBondContact O-CB 3.45Å; P325-Y328 PolarHBondContact O-N 2.83Å |
| 326 | Q | 84.8 | Confident | 92 | Very high | 107 Ų | 107 | 13.7 Ų | 13.7 | 50% | 0.5 | 7% | 0.071 | S | C | . | . | G | 310 helix | trans | -62.5 | -21.1 | 177.8 | 68.3 | -162.2 | 11 | 0 | 0 | 114.2 | A324 | A324-Q326 HydrophobicContact CB-CG 4.17Å; A324-Q326 PolarHBondContact O-N 3.5Å |
| 327 | H | 87.3 | Confident | 91.7 | Very high | 22 Ų | 22 | 14.1 Ų | 14.1 | 10% | 0.102 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -95.5 | 5.4 | -179.2 | -54.2 | -46.4 | 0 | 0 | 0 | 113.3 | E23 Q98 A324 P325 D329 E330 T331 | E23-H327 IonicContact OE1-CD2 3.01Å; E23-H327 PolarHBondContact OE1-CD2 3.31Å; E23-H327 IonicContact OE1-CE1 3.09Å; E23-H327 IonicContact OE1-NE2 2.81Å; E23-H327 PolarHBondContact OE1-NE2 3.02Å; Q98-H327 PolarHBondContact NE2-ND1 2.92Å; Q98-H327 PolarHBondContact OE1-ND1 3.48Å; A324-H327 PolarHBondContact O-N 2.97Å; P325-H327 PolarHBondContact O-N 3.17Å; H327-D329 VanDerWaalsContact C-N 3.33Å; H327-D329 PolarHBondContact O-N 2.96Å; H327-E330 PolarHBondContact O-N 3.4Å; H327-T331 VanDerWaalsContact O-CB 3.28Å; H327-T331 WeakPolarHBondContact O-CB 3.29Å; H327-T331 PolarHBondContact O-N 2.97Å; H327-T331 PolarHBondContact O-OG1 3.41Å |
| 328 | Y | 88.8 | Confident | 91.6 | Very high | 7 Ų | 7 | 14.1 Ų | 14.1 | 3% | 0.027 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -50.7 | -48.2 | -175 | 173.8 | -97.8 | 0 | 0 | 0 | 113.6 | I32 L44 N46 P47 K56 P325 E330 T331 L332 | I32-Y328 VanDerWaalsContact CD1-CA 3.45Å; I32-Y328 HydrophobicContact CD1-CD2 4.27Å; L44-Y328 HydrophobicContact CD1-CD2 4.35Å; L44-Y328 HydrophobicContact CD2-CD2 3.94Å; L44-Y328 HydrophobicContact CD2-CE2 3.53Å; L44-Y328 HydrophobicContact CG-CD2 4.03Å; L44-Y328 HydrophobicContact CG-CE2 3.75Å; N46-Y328 VanDerWaalsContact CA-CE2 3.43Å; N46-Y328 HydrophobicContact CB-CE1 4.46Å; N46-Y328 HydrophobicContact CB-CE2 3.78Å; P47-Y328 HydrophobicContact CG-CG 4.37Å; K56-Y328 PolarHBondContact NZ-OH 3.49Å; P325-Y328 WeakPolarHBondContact O-CB 3.45Å; P325-Y328 PolarHBondContact O-N 2.83Å; Y328-E330 PolarHBondContact O-N 2.58Å; Y328-T331 PolarHBondContact O-N 2.8Å; Y328-L332 HydrophobicContact CE1-CD2 4.26Å; Y328-L332 WeakPolarHBondContact O-CB 3.42Å; Y328-L332 PolarHBondContact O-N 3.41Å |
| 329 | D | 86.6 | Confident | 91.3 | Very high | 32 Ų | 32 | 16.5 Ų | 16.5 | 17% | 0.171 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | -176.6 | -56.8 | -76.8 | 0 | 0 | 0 | 111.9 | R48 H327 T333 | R48-D329 IonicContact CZ-OD2 3.94Å; R48-D329 VanDerWaalsContact NH1-CG 3.34Å; R48-D329 IonicContact NH1-OD1 2.83Å; R48-D329 PolarHBondContact NH1-OD1 3.48Å; R48-D329 IonicContact NH1-OD2 2.73Å; R48-D329 PolarHBondContact NH1-OD2 2.81Å; R48-D329 IonicContact NH2-OD2 3.4Å; R48-D329 PolarHBondContact NH2-OD2 3.47Å; H327-D329 VanDerWaalsContact C-N 3.33Å; H327-D329 PolarHBondContact O-N 2.96Å; D329-T333 PolarHBondContact O-N 3.07Å; D329-T333 VanDerWaalsContact O-N 3.15Å; D329-T333 PolarHBondContact O-OG1 2.88Å |
| 330 | E | 87.9 | Confident | 91.1 | Very high | 9 Ų | 9 | 21 Ų | 21 | 4% | 0.042 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -75 | -35.6 | 177.6 | -48.1 | -54.7 | 153.3 | 0 | 0 | 111.9 | Q98 K258 H327 Y328 T333 T334 | Q98-E330 HydrophobicContact CB-CB 4.24Å; Q98-E330 HydrophobicContact CG-CB 4.49Å; Q98-E330 HydrophobicContact CG-CG 4.46Å; K258-E330 IonicContact NZ-OE1 3.29Å; K258-E330 PolarHBondContact NZ-OE1 3.17Å; H327-E330 PolarHBondContact O-N 3.4Å; Y328-E330 PolarHBondContact O-N 2.58Å; E330-T333 PolarHBondContact O-N 3.23Å; E330-T334 WeakPolarHBondContact O-CB 3.37Å; E330-T334 PolarHBondContact O-N 2.98Å; E330-T334 PolarHBondContact O-OG1 3.09Å |
| 331 | T | 92.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.8 | -43.2 | 178.2 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | V33 L44 L321 H327 Y328 T334 L335 | V33-T331 HydrophobicContact CG2-CG2 3.9Å; L44-T331 HydrophobicContact CD1-CG2 3.57Å; L321-T331 HydrophobicContact CB-CG2 4.3Å; L321-T331 HydrophobicContact CD1-CG2 4.05Å; L321-T331 HydrophobicContact CD2-CG2 4.06Å; L321-T331 HydrophobicContact CG-CG2 4.37Å; H327-T331 VanDerWaalsContact O-CB 3.28Å; H327-T331 WeakPolarHBondContact O-CB 3.29Å; H327-T331 PolarHBondContact O-N 2.97Å; H327-T331 PolarHBondContact O-OG1 3.41Å; Y328-T331 PolarHBondContact O-N 2.8Å; T331-T334 PolarHBondContact O-N 3.5Å; T331-L335 HydrophobicContact CG2-CD1 4.17Å; T331-L335 WeakPolarHBondContact O-CB 3.49Å; T331-L335 WeakPolarHBondContact O-CG 3.46Å; T331-L335 PolarHBondContact O-N 2.94Å |
| 332 | L | 90.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.068 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 172.6 | 178.3 | 59.6 | 0 | 0 | 0 | 111.5 | L44 K56 F58 Y328 T334 L335 R336 | L44-L332 HydrophobicContact CD2-CB 3.8Å; L44-L332 HydrophobicContact CD2-CD1 4.04Å; L44-L332 HydrophobicContact CD2-CG 4.48Å; K56-L332 HydrophobicContact CD-CD1 3.98Å; F58-L332 HydrophobicContact CE2-CD1 4.35Å; F58-L332 HydrophobicContact CZ-CD1 3.91Å; Y328-L332 HydrophobicContact CE1-CD2 4.26Å; Y328-L332 WeakPolarHBondContact O-CB 3.42Å; Y328-L332 PolarHBondContact O-N 3.41Å; L332-T334 VanDerWaalsContact C-N 3.34Å; L332-T334 PolarHBondContact O-N 2.7Å; L332-L335 PolarHBondContact O-N 3.4Å; L332-R336 HydrophobicContact CD1-CG 4.33Å; L332-R336 WeakPolarHBondContact O-CB 3.48Å; L332-R336 WeakPolarHBondContact O-CG 3.34Å; L332-R336 PolarHBondContact O-N 2.7Å |
| 333 | T | 89.3 | Confident | 90.8 | Very high | 29 Ų | 29 | 27.3 Ų | 27.3 | 18% | 0.178 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | D329 E330 R336 Y337 | D329-T333 PolarHBondContact O-N 3.07Å; D329-T333 VanDerWaalsContact O-N 3.15Å; D329-T333 PolarHBondContact O-OG1 2.88Å; E330-T333 PolarHBondContact O-N 3.23Å; T333-R336 PolarHBondContact O-N 2.7Å; T333-Y337 WeakPolarHBondContact O-CB 3.21Å; T333-Y337 PolarHBondContact O-N 2.77Å |
| 334 | T | 93.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | Y96 A319 L321 E330 T331 L332 Y337 A338 | Y96-T334 HydrophobicContact CD1-CG2 4Å; Y96-T334 HydrophobicContact CE1-CG2 4.12Å; A319-T334 HydrophobicContact CB-CG2 4.12Å; L321-T334 HydrophobicContact CD2-CG2 3.5Å; E330-T334 WeakPolarHBondContact O-CB 3.37Å; E330-T334 PolarHBondContact O-N 2.98Å; E330-T334 PolarHBondContact O-OG1 3.09Å; T331-T334 PolarHBondContact O-N 3.5Å; L332-T334 VanDerWaalsContact C-N 3.34Å; L332-T334 PolarHBondContact O-N 2.7Å; T334-Y337 PolarHBondContact O-N 2.76Å; T334-A338 VanDerWaalsContact O-CB 3.28Å; T334-A338 WeakPolarHBondContact O-CB 3.32Å; T334-A338 PolarHBondContact O-N 3.37Å |
| 335 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 176.8 | -79.5 | 166.1 | 0 | 0 | 0 | 112.6 | V14 V42 L44 F58 F60 L321 T331 L332 Y337 N339 | V14-L335 HydrophobicContact CG1-CD2 4.24Å; V14-L335 HydrophobicContact CG2-CD2 4.4Å; V42-L335 HydrophobicContact CB-CD2 4.02Å; V42-L335 HydrophobicContact CG1-CD1 4.17Å; V42-L335 HydrophobicContact CG1-CD2 4.04Å; V42-L335 HydrophobicContact CG2-CD2 4.22Å; L44-L335 HydrophobicContact CB-CD1 4.26Å; L44-L335 HydrophobicContact CD1-CD1 4.32Å; L44-L335 HydrophobicContact CD2-CD1 4.19Å; L44-L335 HydrophobicContact CG-CD1 4.49Å; F58-L335 HydrophobicContact CB-CD2 4.42Å; F58-L335 HydrophobicContact CD1-CB 4.44Å; F58-L335 HydrophobicContact CD2-CB 4.06Å; F58-L335 HydrophobicContact CD2-CD1 3.96Å; F58-L335 HydrophobicContact CD2-CD2 4.29Å; F58-L335 HydrophobicContact CD2-CG 4.35Å; F58-L335 HydrophobicContact CE1-CB 4.35Å; F58-L335 HydrophobicContact CE2-CB 3.96Å; F58-L335 HydrophobicContact CE2-CD1 4.01Å; F58-L335 HydrophobicContact CG-CB 4.31Å; F58-L335 HydrophobicContact CG-CD2 4.41Å; F58-L335 HydrophobicContact CZ-CB 4.11Å; F60-L335 HydrophobicContact CE2-CD2 3.62Å; F60-L335 HydrophobicContact CZ-CD2 3.7Å; L321-L335 HydrophobicContact CD1-CD1 4.12Å; L321-L335 HydrophobicContact CD1-CD2 3.97Å; L321-L335 HydrophobicContact CD1-CG 3.97Å; L321-L335 HydrophobicContact CD2-CG 4.36Å; T331-L335 HydrophobicContact CG2-CD1 4.17Å; T331-L335 WeakPolarHBondContact O-CB 3.49Å; T331-L335 WeakPolarHBondContact O-CG 3.46Å; T331-L335 PolarHBondContact O-N 2.94Å; L332-L335 PolarHBondContact O-N 3.4Å; L335-Y337 VanDerWaalsContact C-N 3.34Å; L335-N339 VanDerWaalsContact O-CB 3.22Å; L335-N339 WeakPolarHBondContact O-CB 3.28Å; L335-N339 PolarHBondContact O-N 3.23Å |
| 336 | R | 91 | Very high | 91.3 | Very high | 18 Ų | 18 | 30 Ų | 30 | 7% | 0.068 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 173 | -80 | 177.7 | 162.5 | 174.5 | 0.4 | 111.7 | L332 T333 N339 R340 D559 E563 | L332-R336 HydrophobicContact CD1-CG 4.33Å; L332-R336 WeakPolarHBondContact O-CB 3.48Å; L332-R336 WeakPolarHBondContact O-CG 3.34Å; L332-R336 PolarHBondContact O-N 2.7Å; T333-R336 PolarHBondContact O-N 2.7Å; R336-N339 PolarHBondContact O-N 2.82Å; R336-R340 PolarHBondContact O-N 2.96Å; R336-R340 VanDerWaalsContact O-N 3.09Å; R336-D559 IonicContact NH2-OD2 3.44Å; R336-E563 IonicContact CZ-OE2 2.81Å; R336-E563 IonicContact NH1-OE2 3.76Å; R336-E563 PolarHBondContact NH1-OE2 2.92Å |
| 337 | Y | 91.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | -178.4 | -171.7 | -118.3 | 0 | 0 | 0 | 112 | Y96 L279 G280 I283 M317 T333 T334 L335 N339 R340 A341 | Y96-Y337 AromaticContact CD1-CD1 3.74Å; Y96-Y337 HydrophobicContact CD1-CD1 3.74Å; Y96-Y337 HydrophobicContact CD1-CE1 4.23Å; Y96-Y337 HydrophobicContact CD2-CD1 4.15Å; Y96-Y337 AromaticContact CD2-CE1 3.82Å; Y96-Y337 HydrophobicContact CD2-CE1 3.82Å; Y96-Y337 AromaticContact CE1-CD1 3.35Å; Y96-Y337 HydrophobicContact CE1-CD1 3.35Å; Y96-Y337 HydrophobicContact CE1-CE1 4Å; Y96-Y337 HydrophobicContact CE1-CG 4.16Å; Y96-Y337 AromaticContact CE2-CD1 3.76Å; Y96-Y337 HydrophobicContact CE2-CD1 3.76Å; Y96-Y337 AromaticContact CE2-CE1 3.51Å; Y96-Y337 HydrophobicContact CE2-CE1 3.51Å; Y96-Y337 HydrophobicContact CG-CD1 4.14Å; Y96-Y337 HydrophobicContact CG-CE1 4.16Å; Y96-Y337 AromaticContact CZ-CD1 3.34Å; Y96-Y337 AromaticContact CZ-CE1 3.62Å; L279-Y337 VanDerWaalsContact CG-OH 3.25Å; L279-Y337 WeakPolarHBondContact CG-OH 3.44Å; L279-Y337 PolarHBondContact O-OH 3.08Å; G280-Y337 PolarHBondContact N-OH 2.84Å; I283-Y337 HydrophobicContact CB-CE2 3.68Å; I283-Y337 HydrophobicContact CD1-CE1 4.13Å; I283-Y337 HydrophobicContact CD1-CE2 4.18Å; I283-Y337 WeakPolarHBondContact CD1-OH 3.33Å; I283-Y337 HydrophobicContact CG1-CE2 4.2Å; I283-Y337 WeakPolarHBondContact CG1-OH 3.46Å; I283-Y337 HydrophobicContact CG2-CD2 4.17Å; I283-Y337 HydrophobicContact CG2-CE2 3.69Å; M317-Y337 HydrophobicContact CE-CD1 3.65Å; M317-Y337 HydrophobicContact CE-CE1 4.06Å; T333-Y337 WeakPolarHBondContact O-CB 3.21Å; T333-Y337 PolarHBondContact O-N 2.77Å; T334-Y337 PolarHBondContact O-N 2.76Å; L335-Y337 VanDerWaalsContact C-N 3.34Å; Y337-N339 VanDerWaalsContact C-N 3.3Å; Y337-N339 PolarHBondContact O-N 2.9Å; Y337-R340 PolarHBondContact O-N 3.24Å; Y337-R340 VanDerWaalsContact O-N 3.15Å; Y337-A341 PolarHBondContact O-N 2.85Å |
| 338 | A | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.4 | -43.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V12 F60 M317 A319 T334 R340 A341 K342 | V12-A338 HydrophobicContact CG1-CB 3.69Å; F60-A338 HydrophobicContact CE1-CB 3.68Å; F60-A338 HydrophobicContact CZ-CB 4.16Å; M317-A338 HydrophobicContact CE-CB 4.04Å; M317-A338 HydrophobicContact SD-CB 4.4Å; A319-A338 HydrophobicContact CB-CB 3.87Å; T334-A338 VanDerWaalsContact O-CB 3.28Å; T334-A338 WeakPolarHBondContact O-CB 3.32Å; T334-A338 PolarHBondContact O-N 3.37Å; A338-R340 VanDerWaalsContact C-N 3.3Å; A338-R340 PolarHBondContact O-N 2.97Å; A338-A341 PolarHBondContact O-N 3.48Å; A338-K342 PolarHBondContact O-N 3.32Å |
| 339 | N | 93.4 | Very high | 91.8 | Very high | 50 Ų | 50 | 34 Ų | 34 | 27% | 0.267 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.3 | -21.3 | 179.9 | -172.4 | 69.7 | 0 | 0 | 0 | 113.9 | F58 F60 L335 R336 Y337 K342 | F58-N339 HydrophobicContact CD1-CB 4.14Å; F60-N339 HydrophobicContact CE1-CB 4.28Å; F60-N339 HydrophobicContact CZ-CB 4.42Å; L335-N339 VanDerWaalsContact O-CB 3.22Å; L335-N339 WeakPolarHBondContact O-CB 3.28Å; L335-N339 PolarHBondContact O-N 3.23Å; R336-N339 PolarHBondContact O-N 2.82Å; Y337-N339 VanDerWaalsContact C-N 3.3Å; Y337-N339 PolarHBondContact O-N 2.9Å; N339-K342 WeakPolarHBondContact OD1-CE 3.36Å; N339-K342 PolarHBondContact OD1-NZ 2.86Å |
| 340 | R | 92 | Very high | 92 | Very high | 93 Ų | 93 | 34.3 Ų | 34.3 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -78.3 | -45.3 | 166.4 | -67.4 | -178 | -166 | 160.2 | 9.5 | 111.2 | I283 S284 A287 R336 Y337 A338 K342 N343 | I283-R340 HydrophobicContact CG2-CB 3.97Å; S284-R340 PolarHBondContact OG-NH1 2.9Å; A287-R340 HydrophobicContact CB-CB 3.96Å; A287-R340 WeakPolarHBondContact CB-O 3.44Å; R336-R340 PolarHBondContact O-N 2.96Å; R336-R340 VanDerWaalsContact O-N 3.09Å; Y337-R340 PolarHBondContact O-N 3.24Å; Y337-R340 VanDerWaalsContact O-N 3.15Å; A338-R340 VanDerWaalsContact C-N 3.3Å; A338-R340 PolarHBondContact O-N 2.97Å; R340-K342 PolarHBondContact O-N 2.93Å; R340-N343 WeakPolarHBondContact O-CB 3.48Å; R340-N343 PolarHBondContact O-N 2.85Å |
| 341 | A | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.7 | -37.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | V12 I283 M317 Y337 A338 N343 I344 | V12-A341 HydrophobicContact CG2-CB 3.97Å; I283-A341 HydrophobicContact CD1-CB 3.81Å; I283-A341 HydrophobicContact CG2-CB 4.14Å; M317-A341 HydrophobicContact SD-CB 3.5Å; M317-A341 WeakPolarHBondContact SD-CB 3.38Å; Y337-A341 PolarHBondContact O-N 2.85Å; A338-A341 PolarHBondContact O-N 3.48Å; A341-N343 PolarHBondContact O-N 2.91Å; A341-N343 VanDerWaalsContact O-N 3.12Å; A341-I344 WeakPolarHBondContact O-CB 3.46Å; A341-I344 VanDerWaalsContact O-CG1 3.29Å; A341-I344 WeakPolarHBondContact O-CG1 3.45Å; A341-I344 PolarHBondContact O-N 2.95Å; A341-I344 VanDerWaalsContact O-N 3.09Å |
| 342 | K | 93.4 | Very high | 91.5 | Very high | 55 Ų | 55 | 37.3 Ų | 37.3 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.7 | -179.7 | 84 | -168.9 | -167.8 | -167.7 | 0 | 114.7 | V10 V12 T59 A338 N339 R340 | V10-K342 WeakPolarHBondContact O-CA 3.4Å; V12-K342 HydrophobicContact CB-CB 4.04Å; V12-K342 HydrophobicContact CG2-CB 3.58Å; T59-K342 PolarHBondContact O-NZ 2.92Å; A338-K342 PolarHBondContact O-N 3.32Å; N339-K342 WeakPolarHBondContact OD1-CE 3.36Å; N339-K342 PolarHBondContact OD1-NZ 2.86Å; R340-K342 PolarHBondContact O-N 2.93Å |
| 343 | N | 91.8 | Very high | 90.8 | Very high | 81 Ų | 81 | 40.2 Ų | 40.2 | 43% | 0.433 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.8 | 179.7 | -59.3 | -18.1 | 0 | 0 | 0 | 112.3 | A287 R340 A341 Q345 | A287-N343 HydrophobicContact CB-CB 4.26Å; R340-N343 WeakPolarHBondContact O-CB 3.48Å; R340-N343 PolarHBondContact O-N 2.85Å; A341-N343 PolarHBondContact O-N 2.91Å; A341-N343 VanDerWaalsContact O-N 3.12Å; N343-Q345 PolarHBondContact O-N 3.5Å |
| 344 | I | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -63.3 | 129.3 | -179.7 | -59.5 | 176.5 | 0 | 0 | 0 | 109.8 | S9 V10 I283 L286 L309 A341 | S9-I344 CarbonylContact C-O 3.6Å; S9-I344 VanDerWaalsContact CA-O 3.3Å; S9-I344 WeakPolarHBondContact CA-O 3.4Å; V10-I344 HydrophobicContact CB-CB 4.31Å; V10-I344 HydrophobicContact CG2-CB 3.76Å; V10-I344 HydrophobicContact CG2-CG2 3.77Å; V10-I344 PolarHBondContact N-O 3.24Å; I283-I344 HydrophobicContact CB-CD1 4.07Å; I283-I344 HydrophobicContact CD1-CD1 3.94Å; I283-I344 HydrophobicContact CG1-CD1 3.7Å; I283-I344 HydrophobicContact CG2-CD1 4.06Å; L286-I344 HydrophobicContact CB-CD1 4.14Å; L286-I344 HydrophobicContact CB-CG1 3.81Å; L286-I344 HydrophobicContact CB-CG2 4.18Å; L286-I344 HydrophobicContact CD1-CD1 4.19Å; L286-I344 HydrophobicContact CD1-CG2 4.09Å; L309-I344 HydrophobicContact CD2-CD1 4.13Å; A341-I344 WeakPolarHBondContact O-CB 3.46Å; A341-I344 VanDerWaalsContact O-CG1 3.29Å; A341-I344 WeakPolarHBondContact O-CG1 3.45Å; A341-I344 PolarHBondContact O-N 2.95Å; A341-I344 VanDerWaalsContact O-N 3.09Å | ||
| 345 | Q | 92.4 | Very high | 87.8 | Confident | 95 Ų | 95 | 51.4 Ų | 51.4 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 109 | -179.8 | -64.6 | -64.4 | -54.6 | 0 | 0 | 110.7 | S7 N343 | S7-Q345 VanDerWaalsContact CB-OE1 3.28Å; S7-Q345 PolarHBondContact OG-OE1 3.14Å; N343-Q345 PolarHBondContact O-N 3.5Å |
| 346 | N | 93.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 162.6 | 173.7 | -69.3 | 10.7 | 0 | 0 | 0 | 110.9 | S7 E8 V10 S308 G310 A313 T315 P348 | S7-N346 VanDerWaalsContact CA-O 3.22Å; S7-N346 WeakPolarHBondContact CA-O 3.13Å; S7-N346 WeakPolarHBondContact CB-O 3.13Å; E8-N346 PolarHBondContact N-O 2.8Å; E8-N346 VanDerWaalsContact N-O 3.08Å; E8-N346 PolarHBondContact O-N 2.81Å; V10-N346 WeakPolarHBondContact CG2-OD1 3.31Å; S308-N346 PolarHBondContact O-ND2 2.87Å; G310-N346 WeakPolarHBondContact CA-OD1 3.43Å; G310-N346 PolarHBondContact N-OD1 2.88Å; A313-N346 VanDerWaalsContact O-CB 3.26Å; A313-N346 WeakPolarHBondContact O-CB 3.44Å; A313-N346 PolarHBondContact O-ND2 3.18Å; T315-N346 PolarHBondContact OG1-ND2 2.79Å; N346-P348 WeakPolarHBondContact O-CD 3.34Å |
| 347 | Q | 91.2 | Very high | 84.9 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | trans | -120.9 | 64.2 | 173.7 | -67.2 | -180 | 28.9 | 0 | 0 | 111.3 | K5 G311 R349 | K5-Q347 VanDerWaalsContact CD-OE1 3.3Å; K5-Q347 VanDerWaalsContact NZ-OE1 3.08Å; G311-Q347 PolarHBondContact O-N 2.85Å; Q347-R349 WeakPolarHBondContact O-CG 3.36Å | ||
| 348 | P | 91 | Very high | 83.5 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | trans | -62.9 | 137.6 | -176.5 | 27.2 | -35.8 | 0 | 0 | 0 | 112.7 | E8 F89 K314 N346 | E8-P348 HydrophobicContact CB-CG 3.91Å; F89-P348 HydrophobicContact CD1-CB 3.95Å; F89-P348 HydrophobicContact CE1-CB 4.24Å; K314-P348 HydrophobicContact CG-CB 3.7Å; K314-P348 HydrophobicContact CG-CG 4.06Å; N346-P348 WeakPolarHBondContact O-CD 3.34Å | ||
| 349 | R | 89.9 | Confident | 81.9 | Confident | 134 Ų | 134 | 59.7 Ų | 59.7 | 51% | 0.506 | 30% | 0.297 | S | S | . | . | trans | -133.5 | 157.8 | 177.2 | -51.5 | -179.6 | -161.7 | 161.1 | 11.9 | 109.7 | F89 N312 Q347 | F89-R349 WeakPolarHBondContact CD1-O 3.26Å; N312-R349 WeakPolarHBondContact OD1-CB 3.49Å; N312-R349 PolarHBondContact OD1-N 3.02Å; Q347-R349 WeakPolarHBondContact O-CG 3.36Å | ||
| 350 | V | 89.9 | Confident | 80.7 | Confident | 38 Ų | 38 | 60.3 Ų | 60.3 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -73.6 | 125.4 | 166.6 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | G88 F89 R241 E352 | G88-V350 CarbonylContact O-C 3.53Å; G88-V350 WeakPolarHBondContact O-CA 3.29Å; F89-V350 HydrophobicContact CD2-CG2 3.95Å; F89-V350 HydrophobicContact CE1-CG2 4.16Å; F89-V350 HydrophobicContact CE2-CG2 3.53Å; F89-V350 HydrophobicContact CG-CG2 4.44Å; F89-V350 HydrophobicContact CZ-CG2 3.65Å; R241-V350 HydrophobicContact CG-CG1 4.09Å; V350-E352 HydrophobicContact CG1-CB 4.41Å |
| 351 | N | 87.1 | Confident | 79.6 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | trans | -83 | 116.3 | 170.6 | -37.7 | -66.2 | 0 | 0 | 0 | 107.8 | G88 N90 R241 V242 N312 | G88-N351 PolarHBondContact O-N 2.78Å; G88-N351 PolarHBondContact O-ND2 2.81Å; N90-N351 PolarHBondContact OD1-ND2 2.82Å; R241-N351 WeakPolarHBondContact CA-O 3.24Å; V242-N351 PolarHBondContact N-O 3.38Å; V242-N351 WeakPolarHBondContact O-CB 3.44Å; V242-N351 PolarHBondContact O-ND2 2.98Å; N312-N351 PolarHBondContact ND2-OD1 2.81Å | ||
| 352 | E | 83.4 | Confident | 78.2 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -151 | 162.4 | -179.2 | 64.5 | -170.8 | 148.2 | 0 | 0 | 109.1 | I240 R241 V350 A357 R360 | I240-E352 WeakPolarHBondContact O-CA 3.36Å; R241-E352 HydrophobicContact CG-CB 4.16Å; V350-E352 HydrophobicContact CG1-CB 4.41Å; E352-A357 HydrophobicContact CG-CB 3.81Å; E352-R360 VanDerWaalsContact CD-CZ 3.45Å; E352-R360 IonicContact OE1-CZ 3.23Å; E352-R360 VanDerWaalsContact OE1-CZ 3.26Å; E352-R360 IonicContact OE1-NE 3.79Å; E352-R360 IonicContact OE1-NH1 2.77Å; E352-R360 PolarHBondContact OE1-NH1 2.84Å; E352-R360 IonicContact OE1-NH2 2.79Å; E352-R360 IonicContact OE2-CZ 2.85Å; E352-R360 IonicContact OE2-NE 2.66Å; E352-R360 IonicContact OE2-NH1 3.63Å; E352-R360 PolarHBondContact OE2-NH1 2.83Å; E352-R360 IonicContact OE2-NH2 3.87Å; E352-R360 PolarHBondContact OE2-NH2 3.04Å |
| 353 | D | 75.4 | Confident | 76.8 | Confident | 74 Ų | 74 | 68 Ų | 68 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | trans | -52 | 135 | 178.7 | -82.3 | -59.2 | 0 | 0 | 0 | 111.1 | K355 D356 A357 | D353-K355 PolarHBondContact O-N 3.04Å; D353-D356 HydrophobicContact CB-CB 4.24Å; D353-D356 WeakPolarHBondContact O-CA 3.44Å; D353-D356 WeakPolarHBondContact O-CB 3.45Å; D353-D356 PolarHBondContact O-N 2.98Å; D353-A357 PolarHBondContact O-N 2.99Å | ||
| 354 | P | 62.7 | Low | 75.7 | Confident | 101 Ų | 101 | 70.9 Ų | 70.9 | 66% | 0.656 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.3 | -21.5 | -173.1 | 22.3 | -33 | 0 | 0 | 0 | 113.4 | L358 | P354-L358 WeakPolarHBondContact O-CB 3.3Å; P354-L358 PolarHBondContact O-N 2.91Å |
| 355 | K | 58.5 | Low | 74.6 | Confident | 164 Ų | 164 | 74.6 Ų | 74.6 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -69.5 | -39.2 | 170.8 | -63.2 | 170.1 | -173.5 | 164.3 | 0 | 111.5 | D353 L358 L359 | D353-K355 PolarHBondContact O-N 3.04Å; K355-L358 PolarHBondContact O-N 2.88Å; K355-L359 WeakPolarHBondContact O-CB 3.2Å; K355-L359 VanDerWaalsContact O-CG 3.31Å; K355-L359 WeakPolarHBondContact O-CG 3.21Å; K355-L359 PolarHBondContact O-N 2.87Å |
| 356 | D | 62.7 | Low | 73.5 | Confident | 19 Ų | 19 | 74 Ų | 74 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -81.1 | -36.2 | -176 | -65.3 | -7.6 | 0 | 0 | 0 | 111.4 | H239 D353 L358 L359 R360 | H239-D356 VanDerWaalsContact CA-OD2 3.31Å; H239-D356 WeakPolarHBondContact CA-OD2 3.33Å; H239-D356 WeakPolarHBondContact CB-OD2 3.43Å; H239-D356 IonicContact CE1-OD1 3.26Å; H239-D356 IonicContact CE1-OD2 2.9Å; H239-D356 IonicContact CG-OD2 3.66Å; H239-D356 IonicContact ND1-OD1 3.45Å; H239-D356 PolarHBondContact ND1-OD1 3.33Å; H239-D356 IonicContact ND1-OD2 2.65Å; H239-D356 PolarHBondContact ND1-OD2 2.81Å; D353-D356 HydrophobicContact CB-CB 4.24Å; D353-D356 WeakPolarHBondContact O-CA 3.44Å; D353-D356 WeakPolarHBondContact O-CB 3.45Å; D353-D356 PolarHBondContact O-N 2.98Å; D356-L358 VanDerWaalsContact C-N 3.29Å; D356-L358 PolarHBondContact O-N 3.06Å; D356-L359 PolarHBondContact O-N 3.36Å; D356-R360 VanDerWaalsContact O-CB 3.3Å; D356-R360 WeakPolarHBondContact O-CB 3.35Å; D356-R360 PolarHBondContact O-N 3.32Å |
| 357 | A | 61.6 | Low | 72.3 | Confident | 35 Ų | 35 | 76.7 Ų | 76.7 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55.6 | -45.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.5 | E352 D353 R360 E361 | E352-A357 HydrophobicContact CG-CB 3.81Å; D353-A357 PolarHBondContact O-N 2.99Å; A357-R360 PolarHBondContact O-N 2.8Å; A357-E361 PolarHBondContact O-N 2.76Å |
| 358 | L | 61.9 | Low | 71.6 | Confident | 89 Ų | 89 | 80 Ų | 80 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.7 | -43 | 178.5 | -174.4 | 64 | 0 | 0 | 0 | 111.9 | P354 K355 D356 R360 E361 F362 | P354-L358 WeakPolarHBondContact O-CB 3.3Å; P354-L358 PolarHBondContact O-N 2.91Å; K355-L358 PolarHBondContact O-N 2.88Å; D356-L358 VanDerWaalsContact C-N 3.29Å; D356-L358 PolarHBondContact O-N 3.06Å; L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 3.09Å; L358-E361 PolarHBondContact O-N 3.46Å; L358-F362 HydrophobicContact CD1-CD2 4.47Å; L358-F362 HydrophobicContact CD1-CE1 4.28Å; L358-F362 HydrophobicContact CD1-CE2 3.86Å; L358-F362 HydrophobicContact CD1-CZ 3.74Å; L358-F362 HydrophobicContact CD2-CE2 3.97Å; L358-F362 HydrophobicContact CD2-CZ 4.36Å; L358-F362 HydrophobicContact CG-CD2 4.08Å; L358-F362 HydrophobicContact CG-CE2 3.56Å; L358-F362 HydrophobicContact CG-CZ 3.98Å; L358-F362 WeakPolarHBondContact O-CD2 3.48Å; L358-F362 WeakPolarHBondContact O-CG 3.43Å; L358-F362 PolarHBondContact O-N 2.79Å |
| 359 | L | 61.3 | Low | 70.6 | Confident | 63 Ų | 63 | 83.2 Ų | 83.2 | 33% | 0.33 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58 | -38.7 | 171.4 | -77.2 | 167.4 | 0 | 0 | 0 | 111.5 | K355 D356 F362 Q363 | K355-L359 WeakPolarHBondContact O-CB 3.2Å; K355-L359 VanDerWaalsContact O-CG 3.31Å; K355-L359 WeakPolarHBondContact O-CG 3.21Å; K355-L359 PolarHBondContact O-N 2.87Å; D356-L359 PolarHBondContact O-N 3.36Å; L359-F362 PolarHBondContact O-N 3.16Å; L359-Q363 WeakPolarHBondContact O-CB 3.48Å; L359-Q363 VanDerWaalsContact O-CG 3.25Å; L359-Q363 WeakPolarHBondContact O-CG 3.48Å; L359-Q363 PolarHBondContact O-N 2.63Å |
| 360 | R | 68.2 | Low | 69.6 | Low | 62 Ų | 62 | 85 Ų | 85 | 23% | 0.234 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | 176.9 | -174.4 | -179.3 | -69 | 159.2 | 4.4 | 112.9 | E352 D356 A357 L358 F362 Q363 K364 | E352-R360 VanDerWaalsContact CD-CZ 3.45Å; E352-R360 IonicContact OE1-CZ 3.23Å; E352-R360 VanDerWaalsContact OE1-CZ 3.26Å; E352-R360 IonicContact OE1-NE 3.79Å; E352-R360 IonicContact OE1-NH1 2.77Å; E352-R360 PolarHBondContact OE1-NH1 2.84Å; E352-R360 IonicContact OE1-NH2 2.79Å; E352-R360 IonicContact OE2-CZ 2.85Å; E352-R360 IonicContact OE2-NE 2.66Å; E352-R360 IonicContact OE2-NH1 3.63Å; E352-R360 PolarHBondContact OE2-NH1 2.83Å; E352-R360 IonicContact OE2-NH2 3.87Å; E352-R360 PolarHBondContact OE2-NH2 3.04Å; D356-R360 VanDerWaalsContact O-CB 3.3Å; D356-R360 WeakPolarHBondContact O-CB 3.35Å; D356-R360 PolarHBondContact O-N 3.32Å; A357-R360 PolarHBondContact O-N 2.8Å; L358-R360 VanDerWaalsContact C-N 3.26Å; L358-R360 PolarHBondContact O-N 3.09Å; R360-F362 VanDerWaalsContact C-N 3.34Å; R360-Q363 PolarHBondContact O-N 2.86Å; R360-K364 HydrophobicContact CG-CD 4.46Å; R360-K364 WeakPolarHBondContact O-CB 3.3Å; R360-K364 WeakPolarHBondContact O-CG 3.41Å; R360-K364 PolarHBondContact O-N 2.98Å |
| 361 | E | 69.8 | Low | 68.8 | Low | 104 Ų | 104 | 85.9 Ų | 85.9 | 49% | 0.486 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 170.1 | -83.5 | -127.1 | 129.4 | 0 | 0 | 110.6 | K3 A357 L358 K364 E365 | K3-E361 IonicContact NZ-OE1 4Å; K3-E361 PolarHBondContact NZ-OE1 2.64Å; K3-E361 IonicContact NZ-OE2 3.96Å; K3-E361 PolarHBondContact NZ-OE2 3.39Å; A357-E361 PolarHBondContact O-N 2.76Å; L358-E361 PolarHBondContact O-N 3.46Å; E361-K364 PolarHBondContact O-N 3.34Å; E361-E365 PolarHBondContact O-N 2.91Å |
| 362 | F | 64.8 | Low | 68.1 | Low | 116 Ų | 116 | 89.1 Ų | 89.1 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176.6 | -66.7 | -35.5 | 0 | 0 | 0 | 112.7 | L358 L359 R360 K364 E365 I366 | L358-F362 HydrophobicContact CD1-CD2 4.47Å; L358-F362 HydrophobicContact CD1-CE1 4.28Å; L358-F362 HydrophobicContact CD1-CE2 3.86Å; L358-F362 HydrophobicContact CD1-CZ 3.74Å; L358-F362 HydrophobicContact CD2-CE2 3.97Å; L358-F362 HydrophobicContact CD2-CZ 4.36Å; L358-F362 HydrophobicContact CG-CD2 4.08Å; L358-F362 HydrophobicContact CG-CE2 3.56Å; L358-F362 HydrophobicContact CG-CZ 3.98Å; L358-F362 WeakPolarHBondContact O-CD2 3.48Å; L358-F362 WeakPolarHBondContact O-CG 3.43Å; L358-F362 PolarHBondContact O-N 2.79Å; L359-F362 PolarHBondContact O-N 3.16Å; R360-F362 VanDerWaalsContact C-N 3.34Å; F362-K364 PolarHBondContact O-N 3.32Å; F362-E365 PolarHBondContact O-N 3.29Å; F362-I366 VanDerWaalsContact O-CB 3.26Å; F362-I366 WeakPolarHBondContact O-CB 3.43Å; F362-I366 WeakPolarHBondContact O-CD1 3.36Å; F362-I366 WeakPolarHBondContact O-CG1 3.22Å; F362-I366 PolarHBondContact O-N 2.98Å |
| 363 | Q | 63.1 | Low | 67.5 | Low | 89 Ų | 89 | 91.9 Ų | 91.9 | 42% | 0.416 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.1 | -76.4 | 174 | 12.2 | 0 | 0 | 111.9 | L359 R360 A367 | L359-Q363 WeakPolarHBondContact O-CB 3.48Å; L359-Q363 VanDerWaalsContact O-CG 3.25Å; L359-Q363 WeakPolarHBondContact O-CG 3.48Å; L359-Q363 PolarHBondContact O-N 2.63Å; R360-Q363 PolarHBondContact O-N 2.86Å; Q363-A367 VanDerWaalsContact O-CB 3.29Å; Q363-A367 WeakPolarHBondContact O-CB 3.37Å; Q363-A367 PolarHBondContact O-N 2.92Å |
| 364 | K | 69.4 | Low | 67 | Low | 143 Ų | 143 | 93 Ų | 93 | 62% | 0.622 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 174.9 | -78.3 | 179 | 177.1 | 179.5 | 0 | 111.9 | R360 E361 F362 A367 R368 | R360-K364 HydrophobicContact CG-CD 4.46Å; R360-K364 WeakPolarHBondContact O-CB 3.3Å; R360-K364 WeakPolarHBondContact O-CG 3.41Å; R360-K364 PolarHBondContact O-N 2.98Å; E361-K364 PolarHBondContact O-N 3.34Å; F362-K364 PolarHBondContact O-N 3.32Å; K364-A367 PolarHBondContact O-N 3.26Å; K364-R368 WeakPolarHBondContact O-CB 3.43Å; K364-R368 PolarHBondContact O-N 2.87Å |
| 365 | E | 69.2 | Low | 67 | Low | 77 Ų | 77 | 95.2 Ų | 95.2 | 36% | 0.36 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.1 | -34.7 | 178.8 | -161.9 | 63.9 | -166.5 | 0 | 0 | 111.5 | E361 F362 R368 L369 | E361-E365 PolarHBondContact O-N 2.91Å; F362-E365 PolarHBondContact O-N 3.29Å; E365-R368 VanDerWaalsContact CD-NH1 3.33Å; E365-R368 PolarHBondContact O-N 2.84Å; E365-R368 WeakPolarHBondContact OE1-CD 3.43Å; E365-R368 IonicContact OE1-CZ 2.74Å; E365-R368 IonicContact OE1-NE 3.49Å; E365-R368 IonicContact OE1-NH1 3.18Å; E365-R368 PolarHBondContact OE1-NH1 2.85Å; E365-R368 WeakPolarHBondContact OE2-CD 3.3Å; E365-R368 IonicContact OE2-CZ 3.19Å; E365-R368 IonicContact OE2-NE 2.77Å; E365-R368 IonicContact OE2-NH1 2.62Å; E365-R368 PolarHBondContact OE2-NH1 2.79Å; E365-L369 HydrophobicContact CG-CD1 4.18Å; E365-L369 HydrophobicContact CG-CG 4.47Å; E365-L369 VanDerWaalsContact O-CB 3.29Å; E365-L369 WeakPolarHBondContact O-CB 3.39Å; E365-L369 WeakPolarHBondContact O-CG 3.5Å; E365-L369 PolarHBondContact O-N 2.82Å |
| 366 | I | 68.6 | Low | 66.9 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 43% | 0.431 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 169.2 | -72.3 | 164.2 | 0 | 0 | 0 | 110.7 | F362 L369 R370 | F362-I366 VanDerWaalsContact O-CB 3.26Å; F362-I366 WeakPolarHBondContact O-CB 3.43Å; F362-I366 WeakPolarHBondContact O-CD1 3.36Å; F362-I366 WeakPolarHBondContact O-CG1 3.22Å; F362-I366 PolarHBondContact O-N 2.98Å; I366-L369 PolarHBondContact O-N 2.69Å; I366-R370 HydrophobicContact CG2-CG 4.33Å; I366-R370 VanDerWaalsContact O-CB 3.25Å; I366-R370 WeakPolarHBondContact O-CB 3.46Å; I366-R370 WeakPolarHBondContact O-CG 3.43Å; I366-R370 PolarHBondContact O-N 3.15Å |
| 367 | A | 68.8 | Low | 66.5 | Low | 57 Ų | 57 | 104 Ų | 104 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q363 K364 R370 A371 | Q363-A367 VanDerWaalsContact O-CB 3.29Å; Q363-A367 WeakPolarHBondContact O-CB 3.37Å; Q363-A367 PolarHBondContact O-N 2.92Å; K364-A367 PolarHBondContact O-N 3.26Å; A367-R370 PolarHBondContact O-N 3.43Å; A367-A371 VanDerWaalsContact O-CB 3.32Å; A367-A371 WeakPolarHBondContact O-CB 3.49Å; A367-A371 PolarHBondContact O-N 3.3Å |
| 368 | R | 75.5 | Confident | 66 | Low | 142 Ų | 142 | 109.6 Ų | 109.6 | 54% | 0.536 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 174.6 | -173.5 | -168.6 | -173.1 | -163.6 | 2.6 | 112.2 | K364 E365 A371 Q372 | K364-R368 WeakPolarHBondContact O-CB 3.43Å; K364-R368 PolarHBondContact O-N 2.87Å; E365-R368 VanDerWaalsContact CD-NH1 3.33Å; E365-R368 PolarHBondContact O-N 2.84Å; E365-R368 WeakPolarHBondContact OE1-CD 3.43Å; E365-R368 IonicContact OE1-CZ 2.74Å; E365-R368 IonicContact OE1-NE 3.49Å; E365-R368 IonicContact OE1-NH1 3.18Å; E365-R368 PolarHBondContact OE1-NH1 2.85Å; E365-R368 WeakPolarHBondContact OE2-CD 3.3Å; E365-R368 IonicContact OE2-CZ 3.19Å; E365-R368 IonicContact OE2-NE 2.77Å; E365-R368 IonicContact OE2-NH1 2.62Å; E365-R368 PolarHBondContact OE2-NH1 2.79Å; R368-A371 WeakPolarHBondContact O-CB 3.37Å; R368-A371 PolarHBondContact O-N 2.64Å; R368-Q372 WeakPolarHBondContact O-CG 3.4Å; R368-Q372 PolarHBondContact O-N 3.06Å |
| 369 | L | 70.9 | Confident | 65.5 | Low | 82 Ų | 82 | 115.3 Ų | 115.3 | 43% | 0.429 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 177 | -71.4 | 167.6 | 0 | 0 | 0 | 111.2 | E365 I366 Q372 L373 | E365-L369 HydrophobicContact CG-CD1 4.18Å; E365-L369 HydrophobicContact CG-CG 4.47Å; E365-L369 VanDerWaalsContact O-CB 3.29Å; E365-L369 WeakPolarHBondContact O-CB 3.39Å; E365-L369 WeakPolarHBondContact O-CG 3.5Å; E365-L369 PolarHBondContact O-N 2.82Å; I366-L369 PolarHBondContact O-N 2.69Å; L369-Q372 PolarHBondContact O-N 2.88Å; L369-L373 VanDerWaalsContact O-CB 3.31Å; L369-L373 WeakPolarHBondContact O-CB 3.39Å; L369-L373 VanDerWaalsContact O-CG 3.24Å; L369-L373 WeakPolarHBondContact O-CG 3.34Å; L369-L373 PolarHBondContact O-N 2.91Å |
| 370 | R | 69.8 | Low | 64.8 | Low | 170 Ų | 170 | 115.9 Ų | 115.9 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 170.9 | -76.5 | 175.9 | 177.9 | -169.2 | 0.2 | 111.7 | I366 A367 L373 N374 | I366-R370 HydrophobicContact CG2-CG 4.33Å; I366-R370 VanDerWaalsContact O-CB 3.25Å; I366-R370 WeakPolarHBondContact O-CB 3.46Å; I366-R370 WeakPolarHBondContact O-CG 3.43Å; I366-R370 PolarHBondContact O-N 3.15Å; A367-R370 PolarHBondContact O-N 3.43Å; R370-L373 PolarHBondContact O-N 2.8Å; R370-N374 VanDerWaalsContact O-CB 3.31Å; R370-N374 WeakPolarHBondContact O-CB 3.27Å; R370-N374 PolarHBondContact O-N 2.84Å |
| 371 | A | 72.9 | Confident | 63.7 | Low | 57 Ų | 57 | 118.9 Ų | 118.9 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | A367 R368 N374 H375 | A367-A371 VanDerWaalsContact O-CB 3.32Å; A367-A371 WeakPolarHBondContact O-CB 3.49Å; A367-A371 PolarHBondContact O-N 3.3Å; R368-A371 WeakPolarHBondContact O-CB 3.37Å; R368-A371 PolarHBondContact O-N 2.64Å; A371-N374 PolarHBondContact O-N 2.73Å; A371-H375 WeakPolarHBondContact O-CB 3.31Å; A371-H375 PolarHBondContact O-N 3.1Å |
| 372 | Q | 72.7 | Confident | 62.6 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -41.8 | 174.6 | -72.4 | 174.1 | 1.4 | 0 | 0 | 112.5 | R368 L369 H375 R376 | R368-Q372 WeakPolarHBondContact O-CG 3.4Å; R368-Q372 PolarHBondContact O-N 3.06Å; L369-Q372 PolarHBondContact O-N 2.88Å; Q372-H375 PolarHBondContact O-N 3.01Å; Q372-R376 WeakPolarHBondContact O-CB 3.46Å; Q372-R376 PolarHBondContact O-N 3.4Å |
| 373 | L | 68.9 | Low | 61.5 | Low | 97 Ų | 97 | 126 Ų | 126 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.9 | -36.7 | 174.9 | -74.7 | 169.6 | 0 | 0 | 0 | 112 | L369 R370 R376 R377 | L369-L373 VanDerWaalsContact O-CB 3.31Å; L369-L373 WeakPolarHBondContact O-CB 3.39Å; L369-L373 VanDerWaalsContact O-CG 3.24Å; L369-L373 WeakPolarHBondContact O-CG 3.34Å; L369-L373 PolarHBondContact O-N 2.91Å; R370-L373 PolarHBondContact O-N 2.8Å; L373-R376 PolarHBondContact O-N 3.43Å; L373-R377 WeakPolarHBondContact O-CB 3.42Å; L373-R377 WeakPolarHBondContact O-CG 3.33Å; L373-R377 PolarHBondContact O-N 2.9Å |
| 374 | N | 66.4 | Low | 60.3 | Low | 97 Ų | 97 | 130.7 Ų | 130.7 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.2 | -40.7 | 173.2 | -78.4 | -9.1 | 0 | 0 | 0 | 111.7 | R370 A371 R376 R377 F378 | R370-N374 VanDerWaalsContact O-CB 3.31Å; R370-N374 WeakPolarHBondContact O-CB 3.27Å; R370-N374 PolarHBondContact O-N 2.84Å; A371-N374 PolarHBondContact O-N 2.73Å; N374-R376 VanDerWaalsContact C-N 3.3Å; N374-R376 PolarHBondContact O-N 3.08Å; N374-R377 CarbonylContact O-C 3.54Å; N374-R377 PolarHBondContact O-N 2.83Å; N374-F378 WeakPolarHBondContact O-CB 3.45Å; N374-F378 PolarHBondContact O-N 3.36Å |
| 375 | H | 61.6 | Low | 58.8 | Low | 148 Ų | 148 | 130.9 Ų | 130.9 | 69% | 0.685 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60 | -41.5 | 172.5 | -133.3 | 68.6 | 0 | 0 | 0 | 111.4 | A371 Q372 F378 R379 | A371-H375 WeakPolarHBondContact O-CB 3.31Å; A371-H375 PolarHBondContact O-N 3.1Å; Q372-H375 PolarHBondContact O-N 3.01Å; H375-F378 PolarHBondContact O-N 2.93Å; H375-R379 PolarHBondContact O-N 3.23Å |
| 376 | R | 56 | Low | 57.2 | Low | 185 Ų | 185 | 136.1 Ų | 136.1 | 70% | 0.698 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.2 | -39.9 | 174.2 | -175.4 | 174.3 | 169.9 | -175 | -4.3 | 112.3 | Q372 L373 N374 R379 S380 | Q372-R376 WeakPolarHBondContact O-CB 3.46Å; Q372-R376 PolarHBondContact O-N 3.4Å; L373-R376 PolarHBondContact O-N 3.43Å; N374-R376 VanDerWaalsContact C-N 3.3Å; N374-R376 PolarHBondContact O-N 3.08Å; R376-R379 PolarHBondContact O-N 2.99Å; R376-S380 PolarHBondContact O-N 2.92Å; R376-S380 PolarHBondContact O-OG 3.46Å |
| 377 | R | 55.8 | Low | 55.6 | Low | 182 Ų | 182 | 137.9 Ų | 137.9 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.6 | -37.3 | 172.8 | -85.4 | -179.5 | 158 | -168.9 | -7.1 | 112.5 | L373 N374 R379 S380 K381 | L373-R377 WeakPolarHBondContact O-CB 3.42Å; L373-R377 WeakPolarHBondContact O-CG 3.33Å; L373-R377 PolarHBondContact O-N 2.9Å; N374-R377 CarbonylContact O-C 3.54Å; N374-R377 PolarHBondContact O-N 2.83Å; R377-R379 VanDerWaalsContact C-N 3.35Å; R377-R379 PolarHBondContact O-N 2.85Å; R377-S380 CarbonylContact O-C 3.59Å; R377-S380 WeakPolarHBondContact O-CA 3.42Å; R377-S380 WeakPolarHBondContact O-CB 3.35Å; R377-S380 PolarHBondContact O-N 3.43Å; R377-K381 PolarHBondContact O-N 3.31Å |
| 378 | F | 51.2 | Low | 53.8 | Low | 152 Ų | 152 | 142.6 Ų | 142.6 | 67% | 0.667 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.4 | -44.6 | 175.9 | -130.8 | -91.6 | 0 | 0 | 0 | 110.9 | N374 H375 S380 K381 Q382 | N374-F378 WeakPolarHBondContact O-CB 3.45Å; N374-F378 PolarHBondContact O-N 3.36Å; H375-F378 PolarHBondContact O-N 2.93Å; F378-S380 PolarHBondContact O-N 2.85Å; F378-K381 PolarHBondContact O-N 2.95Å; F378-Q382 PolarHBondContact O-N 3.31Å |
| 379 | R | 51.6 | Low | 51.6 | Low | 209 Ų | 209 | 139.1 Ų | 139.1 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.2 | -12.9 | 170.7 | -68.6 | -174.9 | 67.7 | 173.9 | 1.8 | 114.5 | H375 R376 R377 | H375-R379 PolarHBondContact O-N 3.23Å; R376-R379 PolarHBondContact O-N 2.99Å; R377-R379 VanDerWaalsContact C-N 3.35Å; R377-R379 PolarHBondContact O-N 2.85Å |
| 380 | S | 46.3 | Very low | 49.7 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 52% | 0.524 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -95.8 | -34.2 | 172.1 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | R376 R377 F378 K383 | R376-S380 PolarHBondContact O-N 2.92Å; R376-S380 PolarHBondContact O-OG 3.46Å; R377-S380 CarbonylContact O-C 3.59Å; R377-S380 WeakPolarHBondContact O-CA 3.42Å; R377-S380 WeakPolarHBondContact O-CB 3.35Å; R377-S380 PolarHBondContact O-N 3.43Å; F378-S380 PolarHBondContact O-N 2.85Å; S380-K383 PolarHBondContact O-N 3.1Å |
| 381 | K | 45 | Very low | 47.8 | Very low | 125 Ų | 125 | 141 Ų | 141 | 54% | 0.543 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -65.6 | -38.7 | 178.1 | -99.4 | -173 | 158.3 | -99.8 | 0 | 112.7 | R377 F378 K383 K384 E385 | R377-K381 PolarHBondContact O-N 3.31Å; F378-K381 PolarHBondContact O-N 2.95Å; K381-K383 PolarHBondContact O-N 3.47Å; K381-K384 PolarHBondContact O-N 3.29Å; K381-E385 IonicContact NZ-OE1 3.9Å; K381-E385 PolarHBondContact NZ-OE1 3.12Å |
| 382 | Q | 45.3 | Very low | 45.6 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -1.3 | 171.4 | -98.5 | -172.7 | -18 | 0 | 0 | 115.3 | F378 | F378-Q382 PolarHBondContact O-N 3.31Š|
| 383 | K | 41.7 | Very low | 43.5 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | 9.1 | 176.9 | -130.2 | -175.6 | -175 | -170.8 | 0 | 114.1 | S380 K381 | S380-K383 PolarHBondContact O-N 3.1Å; K381-K383 PolarHBondContact O-N 3.47Å |
| 384 | K | 38.7 | Very low | 41.5 | Very low | 187 Ų | 187 | 156.8 Ų | 156.8 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -155.5 | 48.9 | -172.8 | -145.3 | -176.4 | -175.4 | -168.3 | 0 | 115.7 | K381 | K381-K384 PolarHBondContact O-N 3.29Š|
| 385 | E | 37.7 | Very low | 39.7 | Very low | 147 Ų | 147 | 161 Ų | 161 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | -133.3 | 82.3 | 169.7 | -96.4 | 155.2 | -152.2 | 0 | 0 | 109.7 | K381 | K381-E385 IonicContact NZ-OE1 3.9Å; K381-E385 PolarHBondContact NZ-OE1 3.12Å | ||
| 386 | Q | 35.5 | Very low | 38 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -158 | 148.7 | 165.4 | -158.3 | 171.7 | 18.6 | 0 | 0 | 106.9 | ||||
| 387 | V | 34.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | 83.4 | 96.2 | -168 | -171.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 388 | D | 31.9 | Very low | 35.2 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | 59.6 | 154.4 | 138.7 | -44.5 | -16.1 | 0 | 0 | 0 | 120.1 | ||||
| 389 | G | 29.4 | Very low | 34 | Very low | 70 Ų | 70 | 155.1 Ų | 155.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | 112.6 | 134.4 | 13.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 390 | E | 30.5 | Very low | 32.9 | Very low | 202 Ų | 202 | 154 Ų | 154 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | cis | -138.9 | -153.4 | 4.2 | -60.9 | -173.5 | 121.1 | 0 | 0 | 111.1 | ||||
| 391 | A | 29.7 | Very low | 32 | Very low | 89 Ų | 89 | 159.9 Ų | 159.9 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -117 | -169.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 392 | W | 26.8 | Very low | 31.1 | Very low | 235 Ų | 235 | 162.8 Ų | 162.8 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | 175 | 170 | 134.4 | -99 | 47 | 0 | 0 | 0 | 112.6 | ||||
| 393 | E | 28.3 | Very low | 30.2 | Very low | 155 Ų | 155 | 160.9 Ų | 160.9 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -131.9 | 159 | -165.9 | -46.9 | 160.2 | 134 | 0 | 0 | 113.2 | ||||
| 394 | R | 26.8 | Very low | 29.5 | Very low | 201 Ų | 201 | 160.2 Ų | 160.2 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | 172.2 | 176.7 | 128.2 | -98.2 | 178.7 | 175.8 | 70.1 | 12.1 | 117.3 | |||||
| 395 | E | 28 | Very low | 29 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -116.9 | -179.6 | -161.7 | -60.4 | 148.5 | 125.4 | 0 | 0 | 114.6 | ||||
| 396 | G | 26.3 | Very low | 28.5 | Very low | 62 Ų | 62 | 162.6 Ų | 162.6 | 64% | 0.639 | 82% | 0.818 | S | S | * | * | trans | 130.1 | 125.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 397 | D | 26.1 | Very low | 28.3 | Very low | 137 Ų | 137 | 160.7 Ų | 160.7 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | cis | 85 | 144.8 | 8.7 | -42.4 | -72.9 | 0 | 0 | 0 | 114.6 | ||||
| 398 | E | 28.3 | Very low | 28 | Very low | 168 Ų | 168 | 161 Ų | 161 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | cis | -147.7 | 173.3 | 16 | -87.7 | 108.4 | 146.8 | 0 | 0 | 114.5 | ||||
| 399 | E | 26.2 | Very low | 28 | Very low | 177 Ų | 177 | 160.1 Ų | 160.1 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 61.6 | 128.7 | 157.2 | -70.2 | 165.1 | -171.1 | 0 | 0 | 122.3 | ||||
| 400 | E | 27.8 | Very low | 28.1 | Very low | 187 Ų | 187 | 164.9 Ų | 164.9 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | 85.6 | 154.4 | 73.4 | -67 | -172.6 | -163.2 | 0 | 0 | 114.9 | |||||
| 401 | E | 26.2 | Very low | 28.4 | Very low | 197 Ų | 197 | 164.9 Ų | 164.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | cis | -137.7 | -146.5 | 36 | -52.5 | 173.8 | 89.9 | 0 | 0 | 115.5 | ||||
| 402 | E | 26.2 | Very low | 29.1 | Very low | 187 Ų | 187 | 164.7 Ų | 164.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -109.4 | -151.7 | -172 | -53.5 | -169.2 | 115.2 | 0 | 0 | 116.2 | ||||
| 403 | V | 26.2 | Very low | 29.8 | Very low | 136 Ų | 136 | 161.7 Ų | 161.7 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | cis | -152.5 | -144 | 25.1 | -149.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 404 | E | 28.5 | Very low | 30.8 | Very low | 179 Ų | 179 | 163.6 Ų | 163.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -125.7 | 166.3 | -165.4 | -54.2 | 174.4 | 120.5 | 0 | 0 | 117.2 | ||||
| 405 | E | 27.3 | Very low | 31.7 | Very low | 193 Ų | 193 | 162.5 Ų | 162.5 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | 168.4 | 167.5 | 126.4 | -95.3 | -167.7 | 169.9 | 0 | 0 | 115.1 | |||||
| 406 | E | 28.3 | Very low | 32.8 | Very low | 192 Ų | 192 | 158 Ų | 158 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -106.8 | -157 | 179.8 | -62.9 | -153.7 | 81.6 | 0 | 0 | 112.6 | ||||
| 407 | E | 30.8 | Very low | 34 | Very low | 148 Ų | 148 | 162.6 Ų | 162.6 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | cis | -158.7 | -176 | 13.7 | -169.6 | -110.6 | -48.4 | 0 | 0 | 110.1 | ||||
| 408 | V | 28.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 162.9 Ų | 162.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 136.8 | 122.8 | 147.6 | 175.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 409 | E | 31.7 | Very low | 36.1 | Very low | 135 Ų | 135 | 159.4 Ų | 159.4 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | trans | -110.6 | 151 | -177.4 | 179.1 | -157.8 | -121.9 | 0 | 0 | 112.7 | ||||
| 410 | K | 31.1 | Very low | 37.1 | Very low | 170 Ų | 170 | 156.6 Ų | 156.6 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | 152 | 113.6 | 136 | -82.3 | 149.3 | -163.5 | 132.7 | 0 | 115.2 | ||||
| 411 | E | 37 | Very low | 38.3 | Very low | 202 Ų | 202 | 155 Ų | 155 | 94% | 0.944 | 76% | 0.759 | S | S | * | * | trans | -174.7 | 81.1 | 145.7 | -113 | 178.7 | -158.3 | 0 | 0 | 110.5 | ||||
| 412 | A | 44 | Very low | 39.6 | Very low | 86 Ų | 86 | 154.5 Ų | 154.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -152.2 | -5.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 413 | E | 43 | Very low | 40.8 | Very low | 171 Ų | 171 | 150 Ų | 150 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -91.1 | -11.6 | -162.4 | -65.9 | -161.5 | 117.9 | 0 | 0 | 117.2 | ||
| 414 | E | 48.3 | Very low | 42.1 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 92% | 0.916 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -86 | -12.6 | -173.9 | -68.7 | -154.6 | 125.5 | 0 | 0 | 115.3 | ||
| 415 | F | 45.8 | Very low | 43.4 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -85.5 | -22.1 | -177.3 | -135.7 | -88.2 | 0 | 0 | 0 | 114.3 | ||
| 416 | V | 51.2 | Low | 44.6 | Very low | 91 Ų | 91 | 147.9 Ų | 147.9 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -69.9 | -38.8 | -169.2 | -179.1 | 0 | 0 | 0 | 0 | 112.9 | L418 E419 | V416-L418 PolarHBondContact O-N 3Å; V416-L418 VanDerWaalsContact O-N 3.14Å; V416-E419 PolarHBondContact O-N 2.99Å |
| 417 | K | 50.5 | Low | 45.5 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 68% | 0.683 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -72.9 | -5.4 | -168.6 | -73.7 | 169.7 | -180 | 154.8 | 0 | 115.5 | ||
| 418 | L | 50.8 | Low | 46.7 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -93.4 | -24.1 | 177.5 | -162.7 | 66.1 | 0 | 0 | 0 | 113 | V416 | V416-L418 PolarHBondContact O-N 3Å; V416-L418 VanDerWaalsContact O-N 3.14Å |
| 419 | E | 49.6 | Very low | 48 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 45% | 0.449 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -32.3 | -176.5 | -144.4 | 65.2 | -131.5 | 0 | 0 | 112.3 | V416 Q421 R422 L423 | V416-E419 PolarHBondContact O-N 2.99Å; E419-Q421 VanDerWaalsContact C-N 3.35Å; E419-Q421 PolarHBondContact O-N 3.05Å; E419-R422 WeakPolarHBondContact O-CB 3.42Å; E419-R422 PolarHBondContact O-N 3.12Å; E419-L423 PolarHBondContact O-N 3.41Å |
| 420 | E | 46.9 | Very low | 49.1 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 55% | 0.551 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -55.3 | -44.5 | -178 | -65 | -177.3 | 115.8 | 0 | 0 | 112.9 | R422 L423 | E420-R422 PolarHBondContact O-N 3.48Å; E420-R422 VanDerWaalsContact O-N 3.14Å; E420-L423 PolarHBondContact O-N 3.03Å |
| 421 | Q | 53 | Low | 50.1 | Low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.3 | -9 | -178.6 | -63.3 | -171 | 4.4 | 0 | 0 | 114.1 | E419 | E419-Q421 VanDerWaalsContact C-N 3.35Å; E419-Q421 PolarHBondContact O-N 3.05Å |
| 422 | R | 53.7 | Low | 51 | Low | 186 Ų | 186 | 134.8 Ų | 134.8 | 70% | 0.702 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -89.7 | -37.2 | 175.4 | -152.2 | 174.4 | -169 | 171.4 | 2.7 | 111.4 | E419 E420 | E419-R422 WeakPolarHBondContact O-CB 3.42Å; E419-R422 PolarHBondContact O-N 3.12Å; E420-R422 PolarHBondContact O-N 3.48Å; E420-R422 VanDerWaalsContact O-N 3.14Å |
| 423 | L | 50.3 | Low | 51.5 | Low | 91 Ų | 91 | 136.5 Ų | 136.5 | 48% | 0.476 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70.9 | -31.3 | -176.2 | -73.4 | 161.8 | 0 | 0 | 0 | 113.7 | E419 E420 K425 E426 N427 | E419-L423 PolarHBondContact O-N 3.41Å; E420-L423 PolarHBondContact O-N 3.03Å; L423-K425 VanDerWaalsContact C-N 3.27Å; L423-K425 PolarHBondContact O-N 3.09Å; L423-E426 PolarHBondContact O-N 2.85Å; L423-N427 PolarHBondContact O-N 2.59Å; L423-N427 PolarHBondContact O-ND2 3.15Å |
| 424 | E | 54.3 | Low | 51.8 | Low | 148 Ų | 148 | 133.7 Ų | 133.7 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.6 | -34.4 | -178.4 | -70.8 | -168 | 122.9 | 0 | 0 | 113.4 | ||
| 425 | K | 55.5 | Low | 52.1 | Low | 183 Ų | 183 | 132.4 Ų | 132.4 | 80% | 0.796 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -82.4 | -15.9 | -176.6 | -69.5 | 177.5 | -178.8 | 168.9 | 0 | 114.3 | L423 | L423-K425 VanDerWaalsContact C-N 3.27Å; L423-K425 PolarHBondContact O-N 3.09Å |
| 426 | E | 52.4 | Low | 52.6 | Low | 134 Ų | 134 | 130.2 Ų | 130.2 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -89.4 | -32.2 | 174.2 | -165.1 | 160.6 | -150 | 0 | 0 | 111 | L423 E428 | L423-E426 PolarHBondContact O-N 2.85Å; E426-E428 VanDerWaalsContact C-N 3.31Å; E426-E428 PolarHBondContact O-N 3.37Å |
| 427 | N | 47.2 | Very low | 52.9 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.8 | -29.7 | 177.8 | -88.2 | -68.4 | 0 | 0 | 0 | 114.7 | L423 | L423-N427 PolarHBondContact O-N 2.59Å; L423-N427 PolarHBondContact O-ND2 3.15Å |
| 428 | E | 55.9 | Low | 53.3 | Low | 128 Ų | 128 | 125.7 Ų | 125.7 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.9 | -34.3 | -172.8 | -160.9 | 138.2 | -102.1 | 0 | 0 | 113 | E426 I430 R431 | E426-E428 VanDerWaalsContact C-N 3.31Å; E426-E428 PolarHBondContact O-N 3.37Å; E428-I430 VanDerWaalsContact C-N 3.3Å; E428-I430 PolarHBondContact O-N 3.31Å; E428-R431 PolarHBondContact O-N 3.37Å; E428-R431 IonicContact OE1-NH1 2.82Å; E428-R431 PolarHBondContact OE1-NH1 3.18Å |
| 429 | A | 56.6 | Low | 53.8 | Low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.1 | -23.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R431 | A429-R431 VanDerWaalsContact C-N 3.34Å |
| 430 | I | 53.3 | Low | 54.3 | Low | 81 Ų | 81 | 125.4 Ų | 125.4 | 42% | 0.415 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -78 | -20 | -179.3 | -65 | 170.1 | 0 | 0 | 0 | 111.7 | E428 E432 Q434 | E428-I430 VanDerWaalsContact C-N 3.3Å; E428-I430 PolarHBondContact O-N 3.31Å; I430-E432 PolarHBondContact O-N 2.91Å; I430-Q434 HydrophobicContact CG2-CG 4.14Å; I430-Q434 WeakPolarHBondContact O-CB 3.27Å; I430-Q434 WeakPolarHBondContact O-CG 3.41Å; I430-Q434 PolarHBondContact O-N 3.27Å |
| 431 | R | 52.8 | Low | 54.9 | Low | 148 Ų | 148 | 126.4 Ų | 126.4 | 56% | 0.558 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.2 | -31.8 | -173.8 | -76.2 | 176.1 | 177 | 152.1 | 1.3 | 114.8 | E428 A429 | E428-R431 PolarHBondContact O-N 3.37Å; E428-R431 IonicContact OE1-NH1 2.82Å; E428-R431 PolarHBondContact OE1-NH1 3.18Å; A429-R431 VanDerWaalsContact C-N 3.34Å |
| 432 | E | 54.8 | Low | 55.6 | Low | 171 Ų | 171 | 126.1 Ų | 126.1 | 80% | 0.799 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79 | -42.4 | -176.3 | -61.8 | -165 | 140.5 | 0 | 0 | 111.8 | I430 Q434 F435 | I430-E432 PolarHBondContact O-N 2.91Å; E432-Q434 VanDerWaalsContact C-N 3.26Å; E432-Q434 PolarHBondContact O-N 3.21Å; E432-F435 PolarHBondContact O-N 2.98Å |
| 433 | D | 54.7 | Low | 56.5 | Low | 122 Ų | 122 | 123.1 Ų | 123.1 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.4 | -31.4 | 173.4 | -122.2 | 27 | 0 | 0 | 0 | 111.9 | F435 L437 | D433-F435 PolarHBondContact O-N 3.09Å; D433-L437 PolarHBondContact O-N 2.81Å |
| 434 | Q | 50.9 | Low | 57.2 | Low | 113 Ų | 113 | 123.1 Ų | 123.1 | 53% | 0.528 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.6 | -26.1 | 174.5 | -87.4 | -175.5 | 10.4 | 0 | 0 | 113.9 | I430 E432 A438 | I430-Q434 HydrophobicContact CG2-CG 4.14Å; I430-Q434 WeakPolarHBondContact O-CB 3.27Å; I430-Q434 WeakPolarHBondContact O-CG 3.41Å; I430-Q434 PolarHBondContact O-N 3.27Å; E432-Q434 VanDerWaalsContact C-N 3.26Å; E432-Q434 PolarHBondContact O-N 3.21Å; Q434-A438 WeakPolarHBondContact O-CB 3.41Å; Q434-A438 PolarHBondContact O-N 2.93Å |
| 435 | F | 54.1 | Low | 57.9 | Low | 168 Ų | 168 | 120.6 Ų | 120.6 | 74% | 0.737 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.2 | -44.4 | -173.5 | -168.6 | -100.8 | 0 | 0 | 0 | 112.7 | E432 D433 A438 | E432-F435 PolarHBondContact O-N 2.98Å; D433-F435 PolarHBondContact O-N 3.09Å; F435-A438 PolarHBondContact O-N 3.31Å |
| 436 | L | 56.8 | Low | 58.8 | Low | 132 Ų | 132 | 113 Ų | 113 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.1 | -42.1 | 175.7 | -75.7 | 166 | 0 | 0 | 0 | 111.5 | A438 E439 E440 | L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 3.36Å; L436-E439 PolarHBondContact O-N 3.02Å; L436-E440 PolarHBondContact O-N 2.89Å |
| 437 | L | 56.1 | Low | 59.8 | Low | 103 Ų | 103 | 112.6 Ų | 112.6 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -30.5 | 174.5 | -87.4 | 162.6 | 0 | 0 | 0 | 112.6 | D433 K441 | D433-L437 PolarHBondContact O-N 2.81Å; L437-K441 WeakPolarHBondContact O-CB 3.39Å; L437-K441 PolarHBondContact O-N 3.46Å |
| 438 | A | 59.7 | Low | 60.6 | Low | 50 Ų | 50 | 112.9 Ų | 112.9 | 41% | 0.413 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.3 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q434 F435 L436 Q442 | Q434-A438 WeakPolarHBondContact O-CB 3.41Å; Q434-A438 PolarHBondContact O-N 2.93Å; F435-A438 PolarHBondContact O-N 3.31Å; L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 3.36Å; A438-Q442 WeakPolarHBondContact O-CB 3.41Å; A438-Q442 PolarHBondContact O-N 2.9Å |
| 439 | E | 61.9 | Low | 61.5 | Low | 107 Ų | 107 | 114 Ų | 114 | 50% | 0.5 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.8 | -43.6 | 179.8 | -160.5 | -162.9 | 141 | 0 | 0 | 111.5 | L436 Q442 K443 | L436-E439 PolarHBondContact O-N 3.02Å; E439-Q442 PolarHBondContact O-N 3.4Å; E439-K443 PolarHBondContact O-N 2.92Å; E439-K443 WeakPolarHBondContact OE1-CE 3.39Å; E439-K443 IonicContact OE1-NZ 2.66Å; E439-K443 PolarHBondContact OE1-NZ 3.41Å |
| 440 | E | 59 | Low | 62.4 | Low | 125 Ų | 125 | 117.1 Ų | 117.1 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -42.6 | 177.1 | -169.5 | 168.1 | -127.2 | 0 | 0 | 111.4 | L436 Q442 K443 L444 | L436-E440 PolarHBondContact O-N 2.89Å; E440-Q442 VanDerWaalsContact C-N 3.3Å; E440-Q442 PolarHBondContact O-N 3.38Å; E440-K443 PolarHBondContact O-N 3.49Å; E440-L444 HydrophobicContact CG-CD1 4.07Å; E440-L444 WeakPolarHBondContact O-CB 3.35Å; E440-L444 WeakPolarHBondContact O-CG 3.37Å; E440-L444 PolarHBondContact O-N 2.85Å |
| 441 | K | 60.1 | Low | 63.4 | Low | 139 Ų | 139 | 119 Ų | 119 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.1 | -37.4 | 171.7 | -177.7 | 179.4 | 178.4 | -178.3 | 0 | 112.1 | L437 L444 L445 | L437-K441 WeakPolarHBondContact O-CB 3.39Å; L437-K441 PolarHBondContact O-N 3.46Å; K441-L444 PolarHBondContact O-N 3.35Å; K441-L445 HydrophobicContact CG-CD1 3.95Å; K441-L445 HydrophobicContact CG-CG 4.33Å; K441-L445 VanDerWaalsContact O-CB 3.24Å; K441-L445 WeakPolarHBondContact O-CB 3.27Å; K441-L445 WeakPolarHBondContact O-CG 3.44Å; K441-L445 PolarHBondContact O-N 3.36Å |
| 442 | Q | 67.4 | Low | 64.1 | Low | 149 Ų | 149 | 116.8 Ų | 116.8 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -36.7 | 178.8 | -167.7 | 172.3 | 29.9 | 0 | 0 | 112 | A438 E439 E440 G446 | A438-Q442 WeakPolarHBondContact O-CB 3.41Å; A438-Q442 PolarHBondContact O-N 2.9Å; E439-Q442 PolarHBondContact O-N 3.4Å; E440-Q442 VanDerWaalsContact C-N 3.3Å; E440-Q442 PolarHBondContact O-N 3.38Å; Q442-G446 PolarHBondContact O-N 2.94Å |
| 443 | K | 71.9 | Confident | 65.3 | Low | 123 Ų | 123 | 109.8 Ų | 109.8 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -51.4 | 168.8 | -77.5 | 171.1 | -174.3 | 153.5 | 0 | 111.4 | E439 E440 L445 G446 E447 | E439-K443 PolarHBondContact O-N 2.92Å; E439-K443 WeakPolarHBondContact OE1-CE 3.39Å; E439-K443 IonicContact OE1-NZ 2.66Å; E439-K443 PolarHBondContact OE1-NZ 3.41Å; E440-K443 PolarHBondContact O-N 3.49Å; K443-L445 VanDerWaalsContact C-N 3.29Å; K443-L445 PolarHBondContact O-N 3.15Å; K443-G446 PolarHBondContact O-N 3.37Å; K443-G446 VanDerWaalsContact O-N 3.13Å; K443-E447 WeakPolarHBondContact O-CG 3.39Å; K443-E447 PolarHBondContact O-N 2.96Å |
| 444 | L | 66.2 | Low | 66.3 | Low | 90 Ų | 90 | 107.2 Ų | 107.2 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -30.2 | -179.9 | -71 | 171.3 | 0 | 0 | 0 | 113.2 | E440 K441 N448 | E440-L444 HydrophobicContact CG-CD1 4.07Å; E440-L444 WeakPolarHBondContact O-CB 3.35Å; E440-L444 WeakPolarHBondContact O-CG 3.37Å; E440-L444 PolarHBondContact O-N 2.85Å; K441-L444 PolarHBondContact O-N 3.35Å; L444-N448 VanDerWaalsContact O-CB 3.3Å; L444-N448 WeakPolarHBondContact O-CB 3.46Å; L444-N448 PolarHBondContact O-N 3.13Å; L444-N448 PolarHBondContact O-ND2 3.15Å |
| 445 | L | 68.3 | Low | 67.1 | Low | 95 Ų | 95 | 105.3 Ų | 105.3 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -48 | 169.8 | -78.5 | 170 | 0 | 0 | 0 | 111.2 | K441 K443 E447 N448 E449 | K441-L445 HydrophobicContact CG-CD1 3.95Å; K441-L445 HydrophobicContact CG-CG 4.33Å; K441-L445 VanDerWaalsContact O-CB 3.24Å; K441-L445 WeakPolarHBondContact O-CB 3.27Å; K441-L445 WeakPolarHBondContact O-CG 3.44Å; K441-L445 PolarHBondContact O-N 3.36Å; K443-L445 VanDerWaalsContact C-N 3.29Å; K443-L445 PolarHBondContact O-N 3.15Å; L445-E447 VanDerWaalsContact C-N 3.26Å; L445-E447 PolarHBondContact O-N 2.86Å; L445-N448 CarbonylContact O-C 3.53Å; L445-N448 PolarHBondContact O-N 2.88Å; L445-N448 VanDerWaalsContact O-N 3.17Å; L445-E449 WeakPolarHBondContact O-CG 3.19Å; L445-E449 PolarHBondContact O-N 2.84Å |
| 446 | G | 75.3 | Confident | 68.2 | Low | 25 Ų | 25 | 104.9 Ų | 104.9 | 26% | 0.258 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -29.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q442 K443 K450 | Q442-G446 PolarHBondContact O-N 2.94Å; K443-G446 PolarHBondContact O-N 3.37Å; K443-G446 VanDerWaalsContact O-N 3.13Å; G446-K450 VanDerWaalsContact O-CG 3.3Å; G446-K450 WeakPolarHBondContact O-CG 3.17Å; G446-K450 PolarHBondContact O-N 3.39Å |
| 447 | E | 73.6 | Confident | 69.2 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.3 | -39.9 | 171.1 | -71.5 | -176.2 | 171.9 | 0 | 0 | 112 | K443 L445 K450 M451 | K443-E447 WeakPolarHBondContact O-CG 3.39Å; K443-E447 PolarHBondContact O-N 2.96Å; L445-E447 VanDerWaalsContact C-N 3.26Å; L445-E447 PolarHBondContact O-N 2.86Å; E447-K450 PolarHBondContact O-N 3.24Å; E447-M451 VanDerWaalsContact O-CB 3.26Å; E447-M451 WeakPolarHBondContact O-CB 3.38Å; E447-M451 PolarHBondContact O-N 2.76Å |
| 448 | N | 64.1 | Low | 69.9 | Low | 91 Ų | 91 | 107.1 Ų | 107.1 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 170.8 | -94 | -75.8 | 0 | 0 | 0 | 112.5 | L444 L445 K450 M451 M452 | L444-N448 VanDerWaalsContact O-CB 3.3Å; L444-N448 WeakPolarHBondContact O-CB 3.46Å; L444-N448 PolarHBondContact O-N 3.13Å; L444-N448 PolarHBondContact O-ND2 3.15Å; L445-N448 CarbonylContact O-C 3.53Å; L445-N448 PolarHBondContact O-N 2.88Å; L445-N448 VanDerWaalsContact O-N 3.17Å; N448-K450 VanDerWaalsContact C-N 3.35Å; N448-K450 PolarHBondContact O-N 3.36Å; N448-M451 PolarHBondContact O-N 2.86Å; N448-M452 WeakPolarHBondContact O-CB 3.46Å; N448-M452 WeakPolarHBondContact O-CG 3.48Å; N448-M452 PolarHBondContact O-N 3.25Å |
| 449 | E | 74.4 | Confident | 70.3 | Confident | 150 Ų | 150 | 110 Ų | 110 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 177 | -76.4 | -170.6 | 145.2 | 0 | 0 | 111.6 | L445 G453 | L445-E449 WeakPolarHBondContact O-CG 3.19Å; L445-E449 PolarHBondContact O-N 2.84Å; E449-G453 WeakPolarHBondContact O-CA 3.44Å; E449-G453 PolarHBondContact O-N 3.2Å |
| 450 | K | 76.1 | Confident | 71.2 | Confident | 153 Ų | 153 | 109.5 Ų | 109.5 | 67% | 0.665 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -46.3 | 171.3 | -75 | 171.1 | -176.1 | 170.6 | 0 | 111.7 | G446 E447 N448 G453 D454 | G446-K450 VanDerWaalsContact O-CG 3.3Å; G446-K450 WeakPolarHBondContact O-CG 3.17Å; G446-K450 PolarHBondContact O-N 3.39Å; E447-K450 PolarHBondContact O-N 3.24Å; N448-K450 VanDerWaalsContact C-N 3.35Å; N448-K450 PolarHBondContact O-N 3.36Å; K450-G453 PolarHBondContact O-N 3.25Å; K450-D454 WeakPolarHBondContact O-CB 3.26Å; K450-D454 PolarHBondContact O-N 3.18Å |
| 451 | M | 73.2 | Confident | 71.9 | Confident | 121 Ų | 121 | 106.2 Ų | 106.2 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.9 | -38.5 | -178.9 | -171 | 167.8 | -179.7 | 0 | 0 | 112 | E447 N448 L455 | E447-M451 VanDerWaalsContact O-CB 3.26Å; E447-M451 WeakPolarHBondContact O-CB 3.38Å; E447-M451 PolarHBondContact O-N 2.76Å; N448-M451 PolarHBondContact O-N 2.86Å; M451-L455 HydrophobicContact CG-CD1 4.25Å; M451-L455 WeakPolarHBondContact O-CB 3.39Å; M451-L455 VanDerWaalsContact O-CG 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.27Å; M451-L455 PolarHBondContact O-N 2.78Å |
| 452 | M | 68.4 | Low | 72.2 | Confident | 101 Ų | 101 | 103.3 Ų | 103.3 | 50% | 0.498 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -36.6 | 172.3 | -74.1 | -67.6 | -72.3 | 0 | 0 | 112 | N448 L455 R456 | N448-M452 WeakPolarHBondContact O-CB 3.46Å; N448-M452 WeakPolarHBondContact O-CG 3.48Å; N448-M452 PolarHBondContact O-N 3.25Å; M452-L455 PolarHBondContact O-N 3.41Å; M452-L455 HydrophobicContact SD-CD1 4.37Å; M452-R456 WeakPolarHBondContact O-CB 3.44Å; M452-R456 WeakPolarHBondContact O-CG 3.49Å; M452-R456 PolarHBondContact O-N 3.12Å |
| 453 | G | 79.4 | Confident | 72.7 | Confident | 24 Ų | 24 | 102.3 Ų | 102.3 | 25% | 0.247 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E449 K450 K457 | E449-G453 WeakPolarHBondContact O-CA 3.44Å; E449-G453 PolarHBondContact O-N 3.2Å; K450-G453 PolarHBondContact O-N 3.25Å; G453-K457 VanDerWaalsContact O-CG 3.26Å; G453-K457 WeakPolarHBondContact O-CG 3.44Å; G453-K457 PolarHBondContact O-N 2.68Å |
| 454 | D | 75.7 | Confident | 72.9 | Confident | 67 Ų | 67 | 102 Ų | 102 | 36% | 0.358 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -80 | -25.7 | 175.9 | -73.5 | -7.8 | 0 | 0 | 0 | 112.7 | K450 K457 R458 | K450-D454 WeakPolarHBondContact O-CB 3.26Å; K450-D454 PolarHBondContact O-N 3.18Å; D454-K457 IonicContact OD1-NZ 2.8Å; D454-K457 PolarHBondContact OD1-NZ 2.94Å; D454-R458 VanDerWaalsContact O-CB 3.27Å; D454-R458 WeakPolarHBondContact O-CB 3.34Å; D454-R458 WeakPolarHBondContact O-CG 3.46Å; D454-R458 PolarHBondContact O-N 3.39Å |
| 455 | L | 67.4 | Low | 73.1 | Confident | 73 Ų | 73 | 103.3 Ų | 103.3 | 38% | 0.382 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -44 | 165.4 | -85.9 | 163.3 | 0 | 0 | 0 | 110.9 | M451 M452 R458 Q459 | M451-L455 HydrophobicContact CG-CD1 4.25Å; M451-L455 WeakPolarHBondContact O-CB 3.39Å; M451-L455 VanDerWaalsContact O-CG 3.29Å; M451-L455 WeakPolarHBondContact O-CG 3.27Å; M451-L455 PolarHBondContact O-N 2.78Å; M452-L455 PolarHBondContact O-N 3.41Å; M452-L455 HydrophobicContact SD-CD1 4.37Å; L455-R458 CarbonylContact O-C 3.45Å; L455-R458 PolarHBondContact O-N 3.1Å; L455-Q459 WeakPolarHBondContact O-CB 3.42Å; L455-Q459 WeakPolarHBondContact O-CG 3.45Å; L455-Q459 PolarHBondContact O-N 3.2Å |
| 456 | R | 76.5 | Confident | 73.2 | Confident | 160 Ų | 160 | 102.5 Ų | 102.5 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -50.4 | 172.7 | -84.6 | -176.3 | 171.3 | 163.7 | -2.1 | 111.7 | M452 R458 Q459 E460 | M452-R456 WeakPolarHBondContact O-CB 3.44Å; M452-R456 WeakPolarHBondContact O-CG 3.49Å; M452-R456 PolarHBondContact O-N 3.12Å; R456-R458 VanDerWaalsContact C-N 3.26Å; R456-R458 PolarHBondContact O-N 2.8Å; R456-Q459 CarbonylContact O-C 3.57Å; R456-Q459 WeakPolarHBondContact O-CA 3.27Å; R456-Q459 WeakPolarHBondContact O-CB 3.32Å; R456-Q459 PolarHBondContact O-N 3.31Å; R456-E460 WeakPolarHBondContact O-CB 3.31Å; R456-E460 VanDerWaalsContact O-CG 3.3Å; R456-E460 WeakPolarHBondContact O-CG 3.32Å; R456-E460 PolarHBondContact O-N 2.74Å |
| 457 | K | 78 | Confident | 73.2 | Confident | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 174.6 | -69.5 | 168.6 | -153.6 | 155.1 | 0 | 112.6 | G453 D454 A461 | G453-K457 VanDerWaalsContact O-CG 3.26Å; G453-K457 WeakPolarHBondContact O-CG 3.44Å; G453-K457 PolarHBondContact O-N 2.68Å; D454-K457 IonicContact OD1-NZ 2.8Å; D454-K457 PolarHBondContact OD1-NZ 2.94Å; K457-A461 WeakPolarHBondContact O-CB 3.21Å; K457-A461 PolarHBondContact O-N 3.49Å |
| 458 | R | 71.1 | Confident | 73.2 | Confident | 159 Ų | 159 | 106.3 Ų | 106.3 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70 | -42 | 173.4 | -77.9 | 172.8 | -177.8 | 121.1 | -0.4 | 111.8 | D454 L455 R456 A461 T462 | D454-R458 VanDerWaalsContact O-CB 3.27Å; D454-R458 WeakPolarHBondContact O-CB 3.34Å; D454-R458 WeakPolarHBondContact O-CG 3.46Å; D454-R458 PolarHBondContact O-N 3.39Å; L455-R458 CarbonylContact O-C 3.45Å; L455-R458 PolarHBondContact O-N 3.1Å; R456-R458 VanDerWaalsContact C-N 3.26Å; R456-R458 PolarHBondContact O-N 2.8Å; R458-A461 PolarHBondContact O-N 2.59Å; R458-T462 WeakPolarHBondContact O-CG2 3.32Å; R458-T462 PolarHBondContact O-N 2.95Å; R458-T462 PolarHBondContact O-OG1 2.65Å; R458-T462 VanDerWaalsContact O-OG1 3.04Å |
| 459 | Q | 68.3 | Low | 73.3 | Confident | 110 Ų | 110 | 109.1 Ų | 109.1 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -56.7 | 174.6 | -78.2 | 173.7 | -37.9 | 0 | 0 | 110 | L455 R456 A461 T462 E463 | L455-Q459 WeakPolarHBondContact O-CB 3.42Å; L455-Q459 WeakPolarHBondContact O-CG 3.45Å; L455-Q459 PolarHBondContact O-N 3.2Å; R456-Q459 CarbonylContact O-C 3.57Å; R456-Q459 WeakPolarHBondContact O-CA 3.27Å; R456-Q459 WeakPolarHBondContact O-CB 3.32Å; R456-Q459 PolarHBondContact O-N 3.31Å; Q459-A461 VanDerWaalsContact C-N 3.28Å; Q459-A461 PolarHBondContact O-N 2.89Å; Q459-T462 WeakPolarHBondContact CA-OG1 3.39Å; Q459-T462 CarbonylContact O-C 3.54Å; Q459-T462 WeakPolarHBondContact O-CA 3.3Å; Q459-T462 PolarHBondContact O-N 3.06Å; Q459-T462 PolarHBondContact O-OG1 3.05Å; Q459-E463 WeakPolarHBondContact O-CB 3.43Å; Q459-E463 WeakPolarHBondContact O-CG 3.43Å; Q459-E463 PolarHBondContact O-N 3.23Å |
| 460 | E | 80.1 | Confident | 73 | Confident | 97 Ų | 97 | 108.7 Ų | 108.7 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -52.5 | -42 | 172.9 | -69.9 | 165.7 | -154.7 | 0 | 0 | 112.3 | R456 E463 Q464 | R456-E460 WeakPolarHBondContact O-CB 3.31Å; R456-E460 VanDerWaalsContact O-CG 3.3Å; R456-E460 WeakPolarHBondContact O-CG 3.32Å; R456-E460 PolarHBondContact O-N 2.74Å; E460-E463 PolarHBondContact O-N 3.14Å; E460-Q464 VanDerWaalsContact O-CB 3.29Å; E460-Q464 WeakPolarHBondContact O-CB 3.49Å; E460-Q464 VanDerWaalsContact O-CG 3.23Å; E460-Q464 WeakPolarHBondContact O-CG 3.35Å; E460-Q464 PolarHBondContact O-N 3.09Å |
| 461 | A | 75.1 | Confident | 72.8 | Confident | 55 Ų | 55 | 103.3 Ų | 103.3 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K457 R458 Q459 L465 | K457-A461 WeakPolarHBondContact O-CB 3.21Å; K457-A461 PolarHBondContact O-N 3.49Å; R458-A461 PolarHBondContact O-N 2.59Å; Q459-A461 VanDerWaalsContact C-N 3.28Å; Q459-A461 PolarHBondContact O-N 2.89Å; A461-L465 WeakPolarHBondContact O-CB 3.43Å; A461-L465 PolarHBondContact O-N 2.8Å |
| 462 | T | 66.5 | Low | 72 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.6 | -29.2 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | R458 Q459 L465 T466 | R458-T462 WeakPolarHBondContact O-CG2 3.32Å; R458-T462 PolarHBondContact O-N 2.95Å; R458-T462 PolarHBondContact O-OG1 2.65Å; R458-T462 VanDerWaalsContact O-OG1 3.04Å; Q459-T462 WeakPolarHBondContact CA-OG1 3.39Å; Q459-T462 CarbonylContact O-C 3.54Å; Q459-T462 WeakPolarHBondContact O-CA 3.3Å; Q459-T462 PolarHBondContact O-N 3.06Å; Q459-T462 PolarHBondContact O-OG1 3.05Å; T462-L465 PolarHBondContact O-N 2.93Å; T462-T466 VanDerWaalsContact O-CB 3.3Å; T462-T466 WeakPolarHBondContact O-CB 3.37Å; T462-T466 VanDerWaalsContact O-CG2 3.3Å; T462-T466 WeakPolarHBondContact O-CG2 3.24Å; T462-T466 PolarHBondContact O-N 2.75Å; T462-T466 PolarHBondContact O-OG1 2.8Å |
| 463 | E | 76.4 | Confident | 71 | Confident | 127 Ų | 127 | 101.9 Ų | 101.9 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.9 | -41.1 | 173.2 | -75.2 | -177.7 | 172.7 | 0 | 0 | 110.2 | Q459 E460 L465 T466 A467 | Q459-E463 WeakPolarHBondContact O-CB 3.43Å; Q459-E463 WeakPolarHBondContact O-CG 3.43Å; Q459-E463 PolarHBondContact O-N 3.23Å; E460-E463 PolarHBondContact O-N 3.14Å; E463-L465 VanDerWaalsContact C-N 3.34Å; E463-T466 WeakPolarHBondContact CA-OG1 3.29Å; E463-T466 PolarHBondContact O-N 2.94Å; E463-T466 PolarHBondContact O-OG1 2.78Å; E463-A467 WeakPolarHBondContact O-CA 3.34Å; E463-A467 WeakPolarHBondContact O-CB 3.48Å; E463-A467 PolarHBondContact O-N 3.46Å |
| 464 | Q | 77 | Confident | 69.6 | Low | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 169 | -72.8 | 178.4 | 40.4 | 0 | 0 | 111.9 | E460 R468 | E460-Q464 VanDerWaalsContact O-CB 3.29Å; E460-Q464 WeakPolarHBondContact O-CB 3.49Å; E460-Q464 VanDerWaalsContact O-CG 3.23Å; E460-Q464 WeakPolarHBondContact O-CG 3.35Å; E460-Q464 PolarHBondContact O-N 3.09Å; Q464-R468 VanDerWaalsContact O-CB 3.23Å; Q464-R468 WeakPolarHBondContact O-CB 3.43Å; Q464-R468 WeakPolarHBondContact O-CG 3.26Å; Q464-R468 PolarHBondContact O-N 3.16Å |
| 465 | L | 70.3 | Confident | 68.5 | Low | 119 Ų | 119 | 108.2 Ų | 108.2 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.7 | -40.4 | 177.1 | -158.6 | 78.7 | 0 | 0 | 0 | 111.6 | A461 T462 E463 R468 Y469 | A461-L465 WeakPolarHBondContact O-CB 3.43Å; A461-L465 PolarHBondContact O-N 2.8Å; T462-L465 PolarHBondContact O-N 2.93Å; E463-L465 VanDerWaalsContact C-N 3.34Å; L465-R468 PolarHBondContact O-N 2.96Å; L465-Y469 VanDerWaalsContact O-CB 3.31Å; L465-Y469 WeakPolarHBondContact O-CB 3.22Å; L465-Y469 PolarHBondContact O-N 3.45Å |
| 466 | T | 69.4 | Low | 67.5 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.3 | -25.8 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | T462 E463 Y469 K470 | T462-T466 VanDerWaalsContact O-CB 3.3Å; T462-T466 WeakPolarHBondContact O-CB 3.37Å; T462-T466 VanDerWaalsContact O-CG2 3.3Å; T462-T466 WeakPolarHBondContact O-CG2 3.24Å; T462-T466 PolarHBondContact O-N 2.75Å; T462-T466 PolarHBondContact O-OG1 2.8Å; E463-T466 WeakPolarHBondContact CA-OG1 3.29Å; E463-T466 PolarHBondContact O-N 2.94Å; E463-T466 PolarHBondContact O-OG1 2.78Å; T466-Y469 PolarHBondContact O-N 3.33Å; T466-K470 VanDerWaalsContact O-CB 3.27Å; T466-K470 WeakPolarHBondContact O-CB 3.36Å; T466-K470 VanDerWaalsContact O-CG 3.3Å; T466-K470 WeakPolarHBondContact O-CG 3.4Å; T466-K470 PolarHBondContact O-N 3.22Å |
| 467 | A | 76.1 | Confident | 66.1 | Low | 56 Ų | 56 | 107.1 Ų | 107.1 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.2 | -39.1 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | E463 Y469 A471 | E463-A467 WeakPolarHBondContact O-CA 3.34Å; E463-A467 WeakPolarHBondContact O-CB 3.48Å; E463-A467 PolarHBondContact O-N 3.46Å; A467-Y469 VanDerWaalsContact C-N 3.35Å; A467-A471 WeakPolarHBondContact O-CB 3.28Å; A467-A471 PolarHBondContact O-N 3.36Å |
| 468 | R | 73.9 | Confident | 64.5 | Low | 175 Ų | 175 | 107.4 Ų | 107.4 | 66% | 0.66 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -38.4 | 168.5 | -77.1 | 175.7 | -176.9 | -166.6 | 3.6 | 111.7 | Q464 L465 A471 M472 | Q464-R468 VanDerWaalsContact O-CB 3.23Å; Q464-R468 WeakPolarHBondContact O-CB 3.43Å; Q464-R468 WeakPolarHBondContact O-CG 3.26Å; Q464-R468 PolarHBondContact O-N 3.16Å; L465-R468 PolarHBondContact O-N 2.96Å; R468-A471 PolarHBondContact O-N 3.28Å; R468-M472 WeakPolarHBondContact O-CB 3.5Å; R468-M472 PolarHBondContact O-N 2.91Å |
| 469 | Y | 65.6 | Low | 63.1 | Low | 150 Ų | 150 | 102.8 Ų | 102.8 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -55.5 | 173.4 | -166.7 | -85.7 | 0 | 0 | 0 | 109.8 | L465 T466 A467 A471 M472 E473 | L465-Y469 VanDerWaalsContact O-CB 3.31Å; L465-Y469 WeakPolarHBondContact O-CB 3.22Å; L465-Y469 PolarHBondContact O-N 3.45Å; T466-Y469 PolarHBondContact O-N 3.33Å; A467-Y469 VanDerWaalsContact C-N 3.35Å; Y469-A471 VanDerWaalsContact C-N 3.26Å; Y469-A471 PolarHBondContact O-N 3.46Å; Y469-M472 CarbonylContact O-C 3.54Å; Y469-M472 PolarHBondContact O-N 3.34Å; Y469-E473 HydrophobicContact CD1-CB 4.35Å; Y469-E473 HydrophobicContact CE1-CB 4.46Å; Y469-E473 WeakPolarHBondContact O-CB 3.39Å; Y469-E473 PolarHBondContact O-N 3.07Å |
| 470 | K | 69.2 | Low | 61.9 | Low | 140 Ų | 140 | 98.5 Ų | 98.5 | 61% | 0.609 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.4 | -32.2 | 174.6 | -76.7 | 176.5 | 175.5 | 177.6 | 0 | 113.5 | T466 S474 | T466-K470 VanDerWaalsContact O-CB 3.27Å; T466-K470 WeakPolarHBondContact O-CB 3.36Å; T466-K470 VanDerWaalsContact O-CG 3.3Å; T466-K470 WeakPolarHBondContact O-CG 3.4Å; T466-K470 PolarHBondContact O-N 3.22Å; K470-S474 WeakPolarHBondContact O-CB 3.3Å; K470-S474 PolarHBondContact O-N 2.95Å; K470-S474 PolarHBondContact O-OG 3.36Å |
| 471 | A | 71 | Confident | 60.2 | Low | 40 Ų | 40 | 100.2 Ų | 100.2 | 33% | 0.331 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -76.3 | -28.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A467 R468 Y469 S474 K475 | A467-A471 WeakPolarHBondContact O-CB 3.28Å; A467-A471 PolarHBondContact O-N 3.36Å; R468-A471 PolarHBondContact O-N 3.28Å; Y469-A471 VanDerWaalsContact C-N 3.26Å; Y469-A471 PolarHBondContact O-N 3.46Å; A471-S474 WeakPolarHBondContact CA-OG 3.37Å; A471-S474 PolarHBondContact O-OG 2.94Å; A471-K475 WeakPolarHBondContact O-CB 3.46Å; A471-K475 VanDerWaalsContact O-CD 3.31Å; A471-K475 WeakPolarHBondContact O-CD 3.36Å; A471-K475 WeakPolarHBondContact O-CG 3.28Å; A471-K475 PolarHBondContact O-N 3.5Å |
| 472 | M | 55.7 | Low | 59.1 | Low | 113 Ų | 113 | 104.2 Ų | 104.2 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -83.3 | -42.7 | 175.1 | -178.3 | 160.1 | 51.9 | 0 | 0 | 111 | R468 Y469 K475 L476 | R468-M472 WeakPolarHBondContact O-CB 3.5Å; R468-M472 PolarHBondContact O-N 2.91Å; Y469-M472 CarbonylContact O-C 3.54Å; Y469-M472 PolarHBondContact O-N 3.34Å; M472-K475 CarbonylContact O-C 3.23Å; M472-K475 PolarHBondContact O-N 3.4Å; M472-L476 HydrophobicContact CG-CD1 4.36Å; M472-L476 WeakPolarHBondContact O-CB 3.47Å; M472-L476 WeakPolarHBondContact O-CG 3.28Å; M472-L476 PolarHBondContact O-N 2.9Å |
| 473 | E | 48.7 | Very low | 58.3 | Low | 80 Ų | 80 | 105.4 Ų | 105.4 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 169.6 | 179.4 | 178.8 | -141.2 | 0 | 0 | 111 | Y469 L476 L477 | Y469-E473 HydrophobicContact CD1-CB 4.35Å; Y469-E473 HydrophobicContact CE1-CB 4.46Å; Y469-E473 WeakPolarHBondContact O-CB 3.39Å; Y469-E473 PolarHBondContact O-N 3.07Å; E473-L476 CarbonylContact O-C 3.49Å; E473-L476 WeakPolarHBondContact O-CB 3.28Å; E473-L476 PolarHBondContact O-N 3.41Å; E473-L476 VanDerWaalsContact O-N 3.14Å; E473-L477 HydrophobicContact CG-CD1 3.58Å; E473-L477 WeakPolarHBondContact O-CB 3.46Å; E473-L477 PolarHBondContact O-N 3.22Å |
| 474 | S | 49.8 | Very low | 57.3 | Low | 54 Ų | 54 | 105 Ų | 105 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -32.6 | 173.3 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | K470 A471 L476 L477 V478 | K470-S474 WeakPolarHBondContact O-CB 3.3Å; K470-S474 PolarHBondContact O-N 2.95Å; K470-S474 PolarHBondContact O-OG 3.36Å; A471-S474 WeakPolarHBondContact CA-OG 3.37Å; A471-S474 PolarHBondContact O-OG 2.94Å; S474-L476 VanDerWaalsContact C-N 3.27Å; S474-L476 PolarHBondContact O-N 2.91Å; S474-L477 PolarHBondContact O-N 3.42Å; S474-V478 WeakPolarHBondContact O-CA 3.2Å; S474-V478 WeakPolarHBondContact O-CB 3.18Å; S474-V478 VanDerWaalsContact O-CG2 3.27Å; S474-V478 WeakPolarHBondContact O-CG2 2.85Å; S474-V478 PolarHBondContact O-N 3.27Å |
| 475 | K | 53 | Low | 56.3 | Low | 170 Ų | 170 | 104.2 Ų | 104.2 | 74% | 0.739 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.3 | -26.9 | 170.1 | -76.4 | 171 | -174.4 | -178.9 | 0 | 113 | A471 M472 | A471-K475 WeakPolarHBondContact O-CB 3.46Å; A471-K475 VanDerWaalsContact O-CD 3.31Å; A471-K475 WeakPolarHBondContact O-CD 3.36Å; A471-K475 WeakPolarHBondContact O-CG 3.28Å; A471-K475 PolarHBondContact O-N 3.5Å; M472-K475 CarbonylContact O-C 3.23Å; M472-K475 PolarHBondContact O-N 3.4Å |
| 476 | L | 46.8 | Very low | 55.8 | Low | 127 Ų | 127 | 102.3 Ų | 102.3 | 67% | 0.665 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -81.5 | -38.6 | 172.3 | -73.5 | 162 | 0 | 0 | 0 | 112.9 | M472 E473 S474 G480 | M472-L476 HydrophobicContact CG-CD1 4.36Å; M472-L476 WeakPolarHBondContact O-CB 3.47Å; M472-L476 WeakPolarHBondContact O-CG 3.28Å; M472-L476 PolarHBondContact O-N 2.9Å; E473-L476 CarbonylContact O-C 3.49Å; E473-L476 WeakPolarHBondContact O-CB 3.28Å; E473-L476 PolarHBondContact O-N 3.41Å; E473-L476 VanDerWaalsContact O-N 3.14Å; S474-L476 VanDerWaalsContact C-N 3.27Å; S474-L476 PolarHBondContact O-N 2.91Å; L476-G480 VanDerWaalsContact O-CA 3.25Å; L476-G480 WeakPolarHBondContact O-CA 3.43Å; L476-G480 PolarHBondContact O-N 3.28Å |
| 477 | L | 46.1 | Very low | 55.5 | Low | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.435 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -90.7 | -32.1 | -175 | -86.6 | 143 | 0 | 0 | 0 | 114.2 | E473 S474 K481 | E473-L477 HydrophobicContact CG-CD1 3.58Å; E473-L477 WeakPolarHBondContact O-CB 3.46Å; E473-L477 PolarHBondContact O-N 3.22Å; S474-L477 PolarHBondContact O-N 3.42Å; L477-K481 HydrophobicContact CD2-CG 4.43Å; L477-K481 VanDerWaalsContact O-CG 3.26Å; L477-K481 WeakPolarHBondContact O-CG 3.38Å; L477-K481 PolarHBondContact O-N 2.88Å |
| 478 | V | 43.9 | Very low | 55 | Low | 128 Ų | 128 | 102.2 Ų | 102.2 | 78% | 0.776 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -19.2 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | S474 | S474-V478 WeakPolarHBondContact O-CA 3.2Å; S474-V478 WeakPolarHBondContact O-CB 3.18Å; S474-V478 VanDerWaalsContact O-CG2 3.27Å; S474-V478 WeakPolarHBondContact O-CG2 2.85Å; S474-V478 PolarHBondContact O-N 3.27Å |
| 479 | G | 41.6 | Very low | 54.9 | Low | 63 Ų | 63 | 99.2 Ų | 99.2 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -11.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 480 | G | 43.8 | Very low | 55.2 | Low | 19 Ų | 19 | 96.1 Ų | 96.1 | 20% | 0.196 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -6.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 118 | L476 N482 I483 | L476-G480 VanDerWaalsContact O-CA 3.25Å; L476-G480 WeakPolarHBondContact O-CA 3.43Å; L476-G480 PolarHBondContact O-N 3.28Å; G480-N482 PolarHBondContact O-N 2.85Å; G480-N482 VanDerWaalsContact O-N 3.1Å; G480-I483 PolarHBondContact O-N 3.07Å |
| 481 | K | 44.8 | Very low | 55.4 | Low | 134 Ų | 134 | 94.3 Ų | 94.3 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.6 | -24 | 177.6 | -89.7 | 171.4 | 179.6 | -174.4 | 0 | 114.4 | L477 | L477-K481 HydrophobicContact CD2-CG 4.43Å; L477-K481 VanDerWaalsContact O-CG 3.26Å; L477-K481 WeakPolarHBondContact O-CG 3.38Å; L477-K481 PolarHBondContact O-N 2.88Å |
| 482 | N | 51.6 | Low | 55.7 | Low | 138 Ų | 138 | 98.1 Ų | 98.1 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -95.3 | 19.3 | 176.8 | -63 | 6.9 | 0 | 0 | 0 | 113.3 | G480 H486 | G480-N482 PolarHBondContact O-N 2.85Å; G480-N482 VanDerWaalsContact O-N 3.1Å; N482-H486 WeakPolarHBondContact O-CB 3.06Å |
| 483 | I | 50.6 | Low | 56.9 | Low | 105 Ų | 105 | 98 Ų | 98 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -109.2 | -64.2 | 174.8 | -57.5 | -179.6 | 0 | 0 | 0 | 110.9 | G480 H486 T487 | G480-I483 PolarHBondContact O-N 3.07Å; I483-H486 PolarHBondContact O-N 3.45Å; I483-T487 WeakPolarHBondContact O-CB 3.39Å; I483-T487 VanDerWaalsContact O-CG2 3.29Å; I483-T487 WeakPolarHBondContact O-CG2 3.37Å; I483-T487 PolarHBondContact O-N 3.47Å; I483-T487 PolarHBondContact O-OG1 2.74Å; I483-T487 VanDerWaalsContact O-OG1 3.1Å |
| 484 | I | 53.4 | Low | 58.3 | Low | 119 Ų | 119 | 99 Ų | 99 | 61% | 0.61 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.9 | -49.5 | -174.7 | -64.6 | 173.4 | 0 | 0 | 0 | 111.3 | H486 T487 N488 | I484-H486 VanDerWaalsContact C-N 3.31Å; I484-H486 PolarHBondContact O-N 2.95Å; I484-T487 PolarHBondContact O-N 3.4Å; I484-T487 PolarHBondContact O-OG1 3.47Å; I484-N488 WeakPolarHBondContact O-CB 3.48Å; I484-N488 VanDerWaalsContact O-CG 3.26Å; I484-N488 PolarHBondContact O-N 2.96Å; I484-N488 PolarHBondContact O-ND2 3.28Å |
| 485 | D | 57.7 | Low | 59.7 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 178.5 | -65.1 | -40.9 | 0 | 0 | 0 | 111.1 | N488 E489 | D485-N488 WeakPolarHBondContact O-CB 3.46Å; D485-N488 PolarHBondContact O-N 3.17Å; D485-E489 WeakPolarHBondContact O-CB 3.49Å; D485-E489 WeakPolarHBondContact O-CG 3.46Å; D485-E489 PolarHBondContact O-N 2.74Å |
| 486 | H | 60 | Low | 61 | Low | 80 Ų | 80 | 94.8 Ų | 94.8 | 37% | 0.37 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 175.2 | -164.5 | 52.5 | 0 | 0 | 0 | 113.1 | N482 I483 I484 E489 Q490 | N482-H486 WeakPolarHBondContact O-CB 3.06Å; I483-H486 PolarHBondContact O-N 3.45Å; I484-H486 VanDerWaalsContact C-N 3.31Å; I484-H486 PolarHBondContact O-N 2.95Å; H486-E489 IonicContact ND1-OE2 2.79Å; H486-E489 PolarHBondContact O-N 3.03Å; H486-Q490 PolarHBondContact CD2-NE2 3.33Å; H486-Q490 PolarHBondContact NE2-NE2 2.79Å; H486-Q490 VanDerWaalsContact O-CB 3.28Å; H486-Q490 WeakPolarHBondContact O-CB 3.29Å; H486-Q490 WeakPolarHBondContact O-CG 3.29Å; H486-Q490 PolarHBondContact O-N 3.35Å |
| 487 | T | 61.7 | Low | 62.7 | Low | 54 Ų | 54 | 94.4 Ų | 94.4 | 33% | 0.331 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.7 | -34.1 | 172.4 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | I483 I484 Q490 Q491 | I483-T487 WeakPolarHBondContact O-CB 3.39Å; I483-T487 VanDerWaalsContact O-CG2 3.29Å; I483-T487 WeakPolarHBondContact O-CG2 3.37Å; I483-T487 PolarHBondContact O-N 3.47Å; I483-T487 PolarHBondContact O-OG1 2.74Å; I483-T487 VanDerWaalsContact O-OG1 3.1Å; I484-T487 PolarHBondContact O-N 3.4Å; I484-T487 PolarHBondContact O-OG1 3.47Å; T487-Q490 PolarHBondContact O-N 2.89Å; T487-Q491 VanDerWaalsContact O-CB 3.23Å; T487-Q491 WeakPolarHBondContact O-CB 3.43Å; T487-Q491 WeakPolarHBondContact O-CG 3.21Å; T487-Q491 PolarHBondContact O-N 2.9Å |
| 488 | N | 66.3 | Low | 64.4 | Low | 77 Ų | 77 | 96.8 Ų | 96.8 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 170.8 | -71.6 | -32.4 | 0 | 0 | 0 | 111.6 | I484 D485 K492 | I484-N488 WeakPolarHBondContact O-CB 3.48Å; I484-N488 VanDerWaalsContact O-CG 3.26Å; I484-N488 PolarHBondContact O-N 2.96Å; I484-N488 PolarHBondContact O-ND2 3.28Å; D485-N488 WeakPolarHBondContact O-CB 3.46Å; D485-N488 PolarHBondContact O-N 3.17Å; N488-K492 WeakPolarHBondContact O-CB 3.44Å; N488-K492 PolarHBondContact O-N 3.1Å |
| 489 | E | 72.2 | Confident | 66 | Low | 111 Ų | 111 | 93.2 Ų | 93.2 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 174.2 | -74.7 | 179.9 | 156.8 | 0 | 0 | 112.4 | D485 H486 K492 M493 | D485-E489 WeakPolarHBondContact O-CB 3.49Å; D485-E489 WeakPolarHBondContact O-CG 3.46Å; D485-E489 PolarHBondContact O-N 2.74Å; H486-E489 IonicContact ND1-OE2 2.79Å; H486-E489 PolarHBondContact O-N 3.03Å; E489-K492 PolarHBondContact O-N 3.48Å; E489-M493 WeakPolarHBondContact O-CB 3.42Å; E489-M493 WeakPolarHBondContact O-CG 3.44Å; E489-M493 PolarHBondContact O-N 3.43Å |
| 490 | Q | 72.1 | Confident | 68.1 | Low | 85 Ų | 85 | 94.1 Ų | 94.1 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 174.2 | -77.1 | 178.9 | 6.3 | 0 | 0 | 111.1 | H486 T487 K492 M493 L494 | H486-Q490 PolarHBondContact CD2-NE2 3.33Å; H486-Q490 PolarHBondContact NE2-NE2 2.79Å; H486-Q490 VanDerWaalsContact O-CB 3.28Å; H486-Q490 WeakPolarHBondContact O-CB 3.29Å; H486-Q490 WeakPolarHBondContact O-CG 3.29Å; H486-Q490 PolarHBondContact O-N 3.35Å; T487-Q490 PolarHBondContact O-N 2.89Å; Q490-K492 VanDerWaalsContact C-N 3.35Å; Q490-K492 PolarHBondContact O-N 2.95Å; Q490-M493 PolarHBondContact O-N 3.21Å; Q490-L494 WeakPolarHBondContact O-CB 3.48Å; Q490-L494 VanDerWaalsContact O-CG 3.23Å; Q490-L494 WeakPolarHBondContact O-CG 3.35Å; Q490-L494 PolarHBondContact O-N 2.96Å |
| 491 | Q | 73.3 | Confident | 70 | Confident | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.8 | -76.7 | 173.8 | 13.1 | 0 | 0 | 111.1 | T487 L494 E495 | T487-Q491 VanDerWaalsContact O-CB 3.23Å; T487-Q491 WeakPolarHBondContact O-CB 3.43Å; T487-Q491 WeakPolarHBondContact O-CG 3.21Å; T487-Q491 PolarHBondContact O-N 2.9Å; Q491-L494 PolarHBondContact O-N 3.38Å; Q491-E495 VanDerWaalsContact O-CB 3.25Å; Q491-E495 WeakPolarHBondContact O-CB 3.41Å; Q491-E495 PolarHBondContact O-N 2.91Å |
| 492 | K | 76.3 | Confident | 71.7 | Confident | 121 Ų | 121 | 92.3 Ų | 92.3 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.8 | -174.6 | 178.7 | 179.6 | -178.1 | 0 | 111.9 | N488 E489 Q490 E495 M496 | N488-K492 WeakPolarHBondContact O-CB 3.44Å; N488-K492 PolarHBondContact O-N 3.1Å; E489-K492 PolarHBondContact O-N 3.48Å; Q490-K492 VanDerWaalsContact C-N 3.35Å; Q490-K492 PolarHBondContact O-N 2.95Å; K492-E495 PolarHBondContact O-N 2.99Å; K492-M496 WeakPolarHBondContact O-CB 3.33Å; K492-M496 WeakPolarHBondContact O-CG 3.44Å; K492-M496 PolarHBondContact O-N 3.35Å |
| 493 | M | 80.5 | Confident | 73.3 | Confident | 109 Ų | 109 | 89.2 Ų | 89.2 | 54% | 0.537 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 174.4 | -77.2 | -170.1 | -75.9 | 0 | 0 | 112.3 | E489 Q490 K497 | E489-M493 WeakPolarHBondContact O-CB 3.42Å; E489-M493 WeakPolarHBondContact O-CG 3.44Å; E489-M493 PolarHBondContact O-N 3.43Å; Q490-M493 PolarHBondContact O-N 3.21Å; M493-K497 VanDerWaalsContact O-CB 3.3Å; M493-K497 WeakPolarHBondContact O-CB 3.48Å; M493-K497 VanDerWaalsContact O-CG 3.29Å; M493-K497 WeakPolarHBondContact O-CG 3.46Å; M493-K497 PolarHBondContact O-N 2.65Å |
| 494 | L | 79.9 | Confident | 74.9 | Confident | 102 Ų | 102 | 89.4 Ų | 89.4 | 53% | 0.534 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.8 | -74.7 | 166.4 | 0 | 0 | 0 | 111.6 | Q490 Q491 K497 R498 | Q490-L494 WeakPolarHBondContact O-CB 3.48Å; Q490-L494 VanDerWaalsContact O-CG 3.23Å; Q490-L494 WeakPolarHBondContact O-CG 3.35Å; Q490-L494 PolarHBondContact O-N 2.96Å; Q491-L494 PolarHBondContact O-N 3.38Å; L494-K497 PolarHBondContact O-N 3.48Å; L494-R498 WeakPolarHBondContact O-CB 3.36Å; L494-R498 VanDerWaalsContact O-CG 3.27Å; L494-R498 WeakPolarHBondContact O-CG 3.33Å; L494-R498 PolarHBondContact O-N 3.07Å |
| 495 | E | 78.3 | Confident | 76.3 | Confident | 25 Ų | 25 | 86.5 Ų | 86.5 | 12% | 0.117 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.2 | -47.5 | 176.7 | -173.1 | 168.1 | -156.2 | 0 | 0 | 111.5 | R79 R133 Q491 K492 K497 R498 Q499 | R79-E495 IonicContact CZ-OE1 3.25Å; R79-E495 IonicContact NH1-OE1 3.5Å; R79-E495 PolarHBondContact NH1-OE1 3.45Å; R79-E495 IonicContact NH2-OE1 2.69Å; R79-E495 PolarHBondContact NH2-OE1 3.44Å; R133-E495 IonicContact CZ-OE2 3.16Å; R133-E495 IonicContact NH1-OE2 2.69Å; R133-E495 PolarHBondContact NH1-OE2 2.83Å; R133-E495 IonicContact NH2-OE2 3.36Å; R133-E495 PolarHBondContact NH2-OE2 3.45Å; Q491-E495 VanDerWaalsContact O-CB 3.25Å; Q491-E495 WeakPolarHBondContact O-CB 3.41Å; Q491-E495 PolarHBondContact O-N 2.91Å; K492-E495 PolarHBondContact O-N 2.99Å; E495-K497 VanDerWaalsContact C-N 3.3Å; E495-K497 PolarHBondContact O-N 2.76Å; E495-R498 PolarHBondContact O-N 2.88Å; E495-Q499 VanDerWaalsContact O-CG 3.3Å; E495-Q499 WeakPolarHBondContact O-CG 3.33Å; E495-Q499 PolarHBondContact O-N 2.85Å |
| 496 | M | 81.3 | Confident | 77.5 | Confident | 111 Ų | 111 | 85 Ų | 85 | 55% | 0.547 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58 | -40.4 | 172.3 | -73 | -68.1 | -54.9 | 0 | 0 | 112 | K492 Q499 E500 | K492-M496 WeakPolarHBondContact O-CB 3.33Å; K492-M496 WeakPolarHBondContact O-CG 3.44Å; K492-M496 PolarHBondContact O-N 3.35Å; M496-Q499 PolarHBondContact O-N 3.15Å; M496-E500 WeakPolarHBondContact O-CB 3.49Å; M496-E500 PolarHBondContact O-N 3.19Å |
| 497 | K | 82.5 | Confident | 78.6 | Confident | 118 Ų | 118 | 87.8 Ų | 87.8 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.4 | -35.4 | 177.1 | -76.2 | -74 | 164.2 | -163.1 | 0 | 112.7 | M493 L494 E495 E500 I501 | M493-K497 VanDerWaalsContact O-CB 3.3Å; M493-K497 WeakPolarHBondContact O-CB 3.48Å; M493-K497 VanDerWaalsContact O-CG 3.29Å; M493-K497 WeakPolarHBondContact O-CG 3.46Å; M493-K497 PolarHBondContact O-N 2.65Å; L494-K497 PolarHBondContact O-N 3.48Å; E495-K497 VanDerWaalsContact C-N 3.3Å; E495-K497 PolarHBondContact O-N 2.76Å; K497-E500 WeakPolarHBondContact CD-OE2 3.34Å; K497-E500 WeakPolarHBondContact CE-OE2 3.41Å; K497-E500 IonicContact NZ-OE1 2.66Å; K497-E500 IonicContact NZ-OE2 3.77Å; K497-E500 PolarHBondContact NZ-OE2 3.28Å; K497-E500 PolarHBondContact O-N 3.43Å; K497-I501 WeakPolarHBondContact O-CB 3.25Å; K497-I501 WeakPolarHBondContact O-CD1 3.38Å; K497-I501 WeakPolarHBondContact O-CG1 3.18Å; K497-I501 PolarHBondContact O-N 2.99Å |
| 498 | R | 80.4 | Confident | 79.7 | Confident | 133 Ų | 133 | 90.7 Ų | 90.7 | 50% | 0.502 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 171.1 | -75 | 172.7 | -175.3 | -167.2 | 3.2 | 111.9 | L494 E495 I501 A502 | L494-R498 WeakPolarHBondContact O-CB 3.36Å; L494-R498 VanDerWaalsContact O-CG 3.27Å; L494-R498 WeakPolarHBondContact O-CG 3.33Å; L494-R498 PolarHBondContact O-N 3.07Å; E495-R498 PolarHBondContact O-N 2.88Å; R498-I501 PolarHBondContact O-N 3.42Å; R498-A502 WeakPolarHBondContact O-CB 3.47Å; R498-A502 PolarHBondContact O-N 2.89Å |
| 499 | Q | 78.8 | Confident | 80.7 | Confident | 53 Ų | 53 | 87.5 Ų | 87.5 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 173.6 | -70.6 | 169.3 | 2.5 | 0 | 0 | 111.3 | R79 E495 M496 I501 A502 E503 | R79-Q499 VanDerWaalsContact NH1-NE2 3.11Å; E495-Q499 VanDerWaalsContact O-CG 3.3Å; E495-Q499 WeakPolarHBondContact O-CG 3.33Å; E495-Q499 PolarHBondContact O-N 2.85Å; M496-Q499 PolarHBondContact O-N 3.15Å; Q499-I501 PolarHBondContact O-N 2.85Å; Q499-A502 PolarHBondContact O-N 2.93Å; Q499-E503 PolarHBondContact O-N 2.65Å |
| 500 | E | 84.9 | Confident | 81.3 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 177.3 | -174.8 | 179 | -170.1 | 0 | 0 | 112.1 | M496 K497 Q504 | M496-E500 WeakPolarHBondContact O-CB 3.49Å; M496-E500 PolarHBondContact O-N 3.19Å; K497-E500 WeakPolarHBondContact CD-OE2 3.34Å; K497-E500 WeakPolarHBondContact CE-OE2 3.41Å; K497-E500 IonicContact NZ-OE1 2.66Å; K497-E500 IonicContact NZ-OE2 3.77Å; K497-E500 PolarHBondContact NZ-OE2 3.28Å; K497-E500 PolarHBondContact O-N 3.43Å; E500-Q504 WeakPolarHBondContact O-CB 3.31Å; E500-Q504 VanDerWaalsContact O-CG 3.23Å; E500-Q504 WeakPolarHBondContact O-CG 3.34Å; E500-Q504 PolarHBondContact O-N 3.33Å |
| 501 | I | 83.4 | Confident | 81.9 | Confident | 99 Ų | 99 | 89 Ų | 89 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 174.8 | -70 | 163 | 0 | 0 | 0 | 111 | K497 R498 Q499 E503 Q504 T505 | K497-I501 WeakPolarHBondContact O-CB 3.25Å; K497-I501 WeakPolarHBondContact O-CD1 3.38Å; K497-I501 WeakPolarHBondContact O-CG1 3.18Å; K497-I501 PolarHBondContact O-N 2.99Å; R498-I501 PolarHBondContact O-N 3.42Å; Q499-I501 PolarHBondContact O-N 2.85Å; I501-E503 PolarHBondContact O-N 2.98Å; I501-Q504 PolarHBondContact O-N 2.71Å; I501-T505 PolarHBondContact O-N 3.31Å; I501-T505 PolarHBondContact O-OG1 2.9Å |
| 502 | A | 81.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 86.6 Ų | 86.6 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E76 R498 Q499 R506 | E76-A502 HydrophobicContact CB-CB 4.37Å; R498-A502 WeakPolarHBondContact O-CB 3.47Å; R498-A502 PolarHBondContact O-N 2.89Å; Q499-A502 PolarHBondContact O-N 2.93Å; A502-R506 WeakPolarHBondContact O-CB 3.38Å; A502-R506 PolarHBondContact O-N 2.88Å |
| 503 | E | 84.8 | Confident | 82.7 | Confident | 74 Ų | 74 | 82.9 Ų | 82.9 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 172.8 | -73 | -141 | 160.1 | 0 | 0 | 112.9 | Q499 I501 R506 R507 | Q499-E503 PolarHBondContact O-N 2.65Å; I501-E503 PolarHBondContact O-N 2.98Å; E503-R506 PolarHBondContact O-N 2.65Å; E503-R507 WeakPolarHBondContact O-CB 3.47Å; E503-R507 WeakPolarHBondContact O-CG 3.18Å; E503-R507 PolarHBondContact O-N 2.86Å; E503-R507 IonicContact OE2-CZ 3.92Å; E503-R507 IonicContact OE2-NE 3.44Å; E503-R507 IonicContact OE2-NH2 2.75Å; E503-R507 PolarHBondContact OE2-NH2 3.07Å |
| 504 | Q | 83.9 | Confident | 82.8 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -50.6 | 175.6 | -76.7 | 173.7 | 12.2 | 0 | 0 | 110.8 | E500 I501 R506 R507 E508 | E500-Q504 WeakPolarHBondContact O-CB 3.31Å; E500-Q504 VanDerWaalsContact O-CG 3.23Å; E500-Q504 WeakPolarHBondContact O-CG 3.34Å; E500-Q504 PolarHBondContact O-N 3.33Å; I501-Q504 PolarHBondContact O-N 2.71Å; Q504-R506 VanDerWaalsContact C-N 3.32Å; Q504-R506 PolarHBondContact O-N 2.9Å; Q504-R507 PolarHBondContact O-N 3.26Å; Q504-E508 WeakPolarHBondContact O-CB 3.42Å; Q504-E508 PolarHBondContact O-N 3.45Å |
| 505 | T | 82.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 83.8 Ų | 83.8 | 36% | 0.356 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 176.6 | -57.7 | 0 | 0 | 0 | 0 | 112 | I501 E508 R509 | I501-T505 PolarHBondContact O-N 3.31Å; I501-T505 PolarHBondContact O-OG1 2.9Å; T505-E508 PolarHBondContact O-N 3.13Å; T505-R509 PolarHBondContact O-N 3.27Å |
| 506 | R | 83.8 | Confident | 82.9 | Confident | 67 Ų | 67 | 86.3 Ų | 86.3 | 25% | 0.253 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.1 | -46.2 | 178.2 | -159.3 | -169.6 | 73.2 | -122 | -5.5 | 111.9 | A502 E503 Q504 E508 R509 E510 | A502-R506 WeakPolarHBondContact O-CB 3.38Å; A502-R506 PolarHBondContact O-N 2.88Å; E503-R506 PolarHBondContact O-N 2.65Å; Q504-R506 VanDerWaalsContact C-N 3.32Å; Q504-R506 PolarHBondContact O-N 2.9Å; R506-E508 VanDerWaalsContact C-N 3.31Å; R506-E508 PolarHBondContact O-N 3.11Å; R506-R509 PolarHBondContact O-N 2.93Å; R506-E510 WeakPolarHBondContact CG-OE1 3.45Å; R506-E510 IonicContact CZ-OE1 3.68Å; R506-E510 IonicContact NE-OE1 2.74Å; R506-E510 PolarHBondContact NE-OE1 2.79Å; R506-E510 IonicContact NH2-OE1 3.83Å; R506-E510 WeakPolarHBondContact O-CB 3.25Å; R506-E510 VanDerWaalsContact O-CG 3.24Å; R506-E510 WeakPolarHBondContact O-CG 3.44Å; R506-E510 PolarHBondContact O-N 3.01Å |
| 507 | R | 83.9 | Confident | 82.7 | Confident | 138 Ų | 138 | 85.8 Ų | 85.8 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 176.7 | -68.1 | 171.2 | -163.3 | -166 | 6.2 | 112.2 | E503 Q504 M511 | E503-R507 WeakPolarHBondContact O-CB 3.47Å; E503-R507 WeakPolarHBondContact O-CG 3.18Å; E503-R507 PolarHBondContact O-N 2.86Å; E503-R507 IonicContact OE2-CZ 3.92Å; E503-R507 IonicContact OE2-NE 3.44Å; E503-R507 IonicContact OE2-NH2 2.75Å; E503-R507 PolarHBondContact OE2-NH2 3.07Å; Q504-R507 PolarHBondContact O-N 3.26Å; R507-M511 WeakPolarHBondContact O-CB 3.47Å; R507-M511 PolarHBondContact O-N 3.23Å |
| 508 | E | 84 | Confident | 82.4 | Confident | 114 Ų | 114 | 85.3 Ų | 85.3 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 173.9 | -166.9 | -172.4 | 156.8 | 0 | 0 | 110.7 | Q504 T505 R506 M511 Q512 | Q504-E508 WeakPolarHBondContact O-CB 3.42Å; Q504-E508 PolarHBondContact O-N 3.45Å; T505-E508 PolarHBondContact O-N 3.13Å; R506-E508 VanDerWaalsContact C-N 3.31Å; R506-E508 PolarHBondContact O-N 3.11Å; E508-M511 PolarHBondContact O-N 3.23Å; E508-Q512 WeakPolarHBondContact O-CB 3.17Å; E508-Q512 WeakPolarHBondContact O-CG 3.21Å; E508-Q512 PolarHBondContact O-N 2.79Å; E508-Q512 PolarHBondContact OE1-NE2 2.65Å |
| 509 | R | 87.3 | Confident | 82.1 | Confident | 11 Ų | 11 | 82.7 Ų | 82.7 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 173.3 | 178.2 | 179.2 | -40.2 | 116.8 | 5.1 | 112.2 | L37 R38 D61 E76 T505 R506 M511 Q512 Q513 | L37-R509 PolarHBondContact O-NE 3.38Å; L37-R509 PolarHBondContact O-NH2 2.84Å; R38-R509 WeakPolarHBondContact O-CB 3.17Å; R38-R509 WeakPolarHBondContact O-CG 3.49Å; D61-R509 WeakPolarHBondContact O-CD 3.42Å; D61-R509 PolarHBondContact O-NH1 2.75Å; E76-R509 IonicContact OE1-CZ 3.8Å; E76-R509 VanDerWaalsContact OE1-CZ 3.23Å; E76-R509 IonicContact OE1-NH1 3.7Å; E76-R509 PolarHBondContact OE1-NH1 3.01Å; E76-R509 IonicContact OE1-NH2 3.88Å; E76-R509 PolarHBondContact OE1-NH2 2.86Å; E76-R509 IonicContact OE2-NH2 3.44Å; T505-R509 PolarHBondContact O-N 3.27Å; R506-R509 PolarHBondContact O-N 2.93Å; R509-M511 PolarHBondContact O-N 3.33Å; R509-Q512 PolarHBondContact O-N 2.84Å; R509-Q513 HydrophobicContact CG-CG 4.29Å; R509-Q513 WeakPolarHBondContact O-CB 3.15Å; R509-Q513 WeakPolarHBondContact O-CG 3.37Å; R509-Q513 PolarHBondContact O-N 3.1Å |
| 510 | E | 84.8 | Confident | 81.7 | Confident | 91 Ų | 91 | 84.4 Ų | 84.4 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -53.1 | -45.1 | 175.9 | -73 | 164 | -162.5 | 0 | 0 | 110.4 | R506 Q514 | R506-E510 WeakPolarHBondContact CG-OE1 3.45Å; R506-E510 IonicContact CZ-OE1 3.68Å; R506-E510 IonicContact NE-OE1 2.74Å; R506-E510 PolarHBondContact NE-OE1 2.79Å; R506-E510 IonicContact NH2-OE1 3.83Å; R506-E510 WeakPolarHBondContact O-CB 3.25Å; R506-E510 VanDerWaalsContact O-CG 3.24Å; R506-E510 WeakPolarHBondContact O-CG 3.44Å; R506-E510 PolarHBondContact O-N 3.01Å; E510-Q514 WeakPolarHBondContact O-CB 3.5Å; E510-Q514 PolarHBondContact O-N 2.99Å |
| 511 | M | 84.1 | Confident | 81 | Confident | 135 Ų | 135 | 86.3 Ų | 86.3 | 67% | 0.665 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.3 | -41.3 | 178.2 | -169.7 | 179.1 | -62.4 | 0 | 0 | 113.3 | R507 E508 R509 Q514 M515 | R507-M511 WeakPolarHBondContact O-CB 3.47Å; R507-M511 PolarHBondContact O-N 3.23Å; E508-M511 PolarHBondContact O-N 3.23Å; R509-M511 PolarHBondContact O-N 3.33Å; M511-Q514 PolarHBondContact O-N 2.98Å; M511-M515 WeakPolarHBondContact O-CB 3.34Å; M511-M515 PolarHBondContact O-N 3.45Å |
| 512 | Q | 82.7 | Confident | 80 | Confident | 53 Ų | 53 | 83.8 Ų | 83.8 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 176.8 | -74.2 | 179 | 18.8 | 0 | 0 | 111.8 | L39 E508 R509 M515 L516 | L39-Q512 HydrophobicContact CD2-CB 4.09Å; E508-Q512 WeakPolarHBondContact O-CB 3.17Å; E508-Q512 WeakPolarHBondContact O-CG 3.21Å; E508-Q512 PolarHBondContact O-N 2.79Å; E508-Q512 PolarHBondContact OE1-NE2 2.65Å; R509-Q512 PolarHBondContact O-N 2.84Å; Q512-M515 PolarHBondContact O-N 3.03Å; Q512-L516 WeakPolarHBondContact O-CG 3.48Å; Q512-L516 PolarHBondContact O-N 3.49Å |
| 513 | Q | 83.8 | Confident | 79.1 | Confident | 43 Ų | 43 | 86.1 Ų | 86.1 | 20% | 0.201 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 172.7 | -73 | -179.5 | -0.8 | 0 | 0 | 111.2 | L39 T59 F60 R509 L516 I517 | L39-Q513 WeakPolarHBondContact O-CG 3.47Å; L39-Q513 PolarHBondContact O-NE2 3.4Å; T59-Q513 HydrophobicContact CG2-CG 4.24Å; F60-Q513 PolarHBondContact O-NE2 3.01Å; R509-Q513 HydrophobicContact CG-CG 4.29Å; R509-Q513 WeakPolarHBondContact O-CB 3.15Å; R509-Q513 WeakPolarHBondContact O-CG 3.37Å; R509-Q513 PolarHBondContact O-N 3.1Å; Q513-L516 PolarHBondContact O-N 2.88Å; Q513-I517 WeakPolarHBondContact O-CG1 3.35Å; Q513-I517 PolarHBondContact O-N 3.4Å; Q513-I517 VanDerWaalsContact O-N 3.16Å |
| 514 | Q | 82.8 | Confident | 78 | Confident | 119 Ų | 119 | 87.7 Ų | 87.7 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.3 | -38.5 | 178.7 | -170.9 | 170.3 | 40.7 | 0 | 0 | 112.5 | E510 M511 I517 Q518 | E510-Q514 WeakPolarHBondContact O-CB 3.5Å; E510-Q514 PolarHBondContact O-N 2.99Å; M511-Q514 PolarHBondContact O-N 2.98Å; Q514-I517 PolarHBondContact O-N 3.04Å; Q514-Q518 WeakPolarHBondContact O-CG 3.48Å; Q514-Q518 PolarHBondContact O-N 2.98Å |
| 515 | M | 81.3 | Confident | 76.7 | Confident | 111 Ų | 111 | 90 Ų | 90 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 175.1 | -177.6 | 175.4 | 173.8 | 0 | 0 | 111.6 | M511 Q512 I517 Q518 D519 | M511-M515 WeakPolarHBondContact O-CB 3.34Å; M511-M515 PolarHBondContact O-N 3.45Å; Q512-M515 PolarHBondContact O-N 3.03Å; M515-I517 VanDerWaalsContact C-N 3.32Å; M515-I517 PolarHBondContact O-N 3.33Å; M515-Q518 CarbonylContact O-C 3.55Å; M515-Q518 PolarHBondContact O-N 3.48Å; M515-D519 WeakPolarHBondContact O-CB 3.34Å; M515-D519 PolarHBondContact O-N 3.5Å |
| 516 | L | 79.4 | Confident | 75.5 | Confident | 78 Ų | 78 | 97.5 Ų | 97.5 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 176.8 | -75.3 | 173.2 | 0 | 0 | 0 | 113 | L39 Q512 Q513 D519 E520 | L39-L516 HydrophobicContact CD1-CD1 3.78Å; L39-L516 HydrophobicContact CD2-CD1 3.62Å; L39-L516 HydrophobicContact CG-CD1 4.28Å; Q512-L516 WeakPolarHBondContact O-CG 3.48Å; Q512-L516 PolarHBondContact O-N 3.49Å; Q513-L516 PolarHBondContact O-N 2.88Å; L516-D519 PolarHBondContact O-N 2.8Å; L516-E520 PolarHBondContact O-N 2.88Å |
| 517 | I | 77.7 | Confident | 74.4 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 174.8 | -66.4 | 164.5 | 0 | 0 | 0 | 110 | Q513 Q514 M515 D519 E520 E521 | Q513-I517 WeakPolarHBondContact O-CG1 3.35Å; Q513-I517 PolarHBondContact O-N 3.4Å; Q513-I517 VanDerWaalsContact O-N 3.16Å; Q514-I517 PolarHBondContact O-N 3.04Å; M515-I517 VanDerWaalsContact C-N 3.32Å; M515-I517 PolarHBondContact O-N 3.33Å; I517-D519 VanDerWaalsContact C-N 3.33Å; I517-D519 PolarHBondContact O-N 3.17Å; I517-E520 PolarHBondContact O-N 2.89Å; I517-E521 WeakPolarHBondContact O-CG 3.15Å; I517-E521 PolarHBondContact O-N 2.9Å |
| 518 | Q | 75.6 | Confident | 73.5 | Confident | 107 Ų | 107 | 97.6 Ų | 97.6 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 177.5 | -72.4 | 178.6 | 8.7 | 0 | 0 | 112.9 | Q514 M515 A522 | Q514-Q518 WeakPolarHBondContact O-CG 3.48Å; Q514-Q518 PolarHBondContact O-N 2.98Å; M515-Q518 CarbonylContact O-C 3.55Å; M515-Q518 PolarHBondContact O-N 3.48Å; Q518-A522 WeakPolarHBondContact O-CB 3.4Å; Q518-A522 PolarHBondContact O-N 3.47Å |
| 519 | D | 74.1 | Confident | 73 | Confident | 79 Ų | 79 | 95 Ų | 95 | 42% | 0.422 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.5 | -36 | 174.6 | -82.9 | -21.4 | 0 | 0 | 0 | 112 | M515 L516 I517 V523 | M515-D519 WeakPolarHBondContact O-CB 3.34Å; M515-D519 PolarHBondContact O-N 3.5Å; L516-D519 PolarHBondContact O-N 2.8Å; I517-D519 VanDerWaalsContact C-N 3.33Å; I517-D519 PolarHBondContact O-N 3.17Å; D519-V523 VanDerWaalsContact O-CB 3.29Å; D519-V523 WeakPolarHBondContact O-CB 3.44Å; D519-V523 WeakPolarHBondContact O-CG2 3.04Å; D519-V523 PolarHBondContact O-N 3.37Å |
| 520 | E | 70.3 | Confident | 72.4 | Confident | 88 Ų | 88 | 101 Ų | 101 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 169.6 | -77.2 | -145.3 | -172 | 0 | 0 | 111.7 | L516 I517 A522 V523 E524 K549 | L516-E520 PolarHBondContact O-N 2.88Å; I517-E520 PolarHBondContact O-N 2.89Å; E520-A522 PolarHBondContact O-N 2.75Å; E520-V523 PolarHBondContact O-N 3.02Å; E520-E524 WeakPolarHBondContact O-CG 2.95Å; E520-E524 PolarHBondContact O-N 3.45Å; E520-K549 VanDerWaalsContact OE2-CE 3.3Å; E520-K549 WeakPolarHBondContact OE2-CE 3.24Å; E520-K549 IonicContact OE2-NZ 3.73Å; E520-K549 PolarHBondContact OE2-NZ 3.27Å |
| 521 | E | 70.3 | Confident | 72.2 | Confident | 124 Ų | 124 | 99.6 Ų | 99.6 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | 178.3 | -71.1 | 179.3 | 178.4 | 0 | 0 | 112.3 | I517 E524 L525 | I517-E521 WeakPolarHBondContact O-CG 3.15Å; I517-E521 PolarHBondContact O-N 2.9Å; E521-E524 PolarHBondContact O-N 3.09Å; E521-L525 WeakPolarHBondContact O-CB 3.4Å; E521-L525 PolarHBondContact O-N 2.87Å |
| 522 | A | 62.9 | Low | 72 | Confident | 46 Ų | 46 | 99.4 Ų | 99.4 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69 | -36.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q518 E520 E524 L525 R526 | Q518-A522 WeakPolarHBondContact O-CB 3.4Å; Q518-A522 PolarHBondContact O-N 3.47Å; E520-A522 PolarHBondContact O-N 2.75Å; A522-E524 VanDerWaalsContact C-N 3.31Å; A522-L525 PolarHBondContact O-N 3.13Å; A522-R526 PolarHBondContact O-N 3.14Å |
| 523 | V | 61.8 | Low | 71.9 | Confident | 63 Ų | 63 | 102.8 Ų | 102.8 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 171.1 | 165.2 | 0 | 0 | 0 | 0 | 111 | D519 E520 K542 | D519-V523 VanDerWaalsContact O-CB 3.29Å; D519-V523 WeakPolarHBondContact O-CB 3.44Å; D519-V523 WeakPolarHBondContact O-CG2 3.04Å; D519-V523 PolarHBondContact O-N 3.37Å; E520-V523 PolarHBondContact O-N 3.02Å; V523-K542 WeakPolarHBondContact O-CE 3.23Å; V523-K542 PolarHBondContact O-NZ 3.48Å |
| 524 | E | 61.3 | Low | 71.7 | Confident | 108 Ų | 108 | 105 Ų | 105 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 173.6 | -71 | -176.4 | -170.4 | 0 | 0 | 111.4 | E520 E521 A522 K542 K549 | E520-E524 WeakPolarHBondContact O-CG 2.95Å; E520-E524 PolarHBondContact O-N 3.45Å; E521-E524 PolarHBondContact O-N 3.09Å; A522-E524 VanDerWaalsContact C-N 3.31Å; E524-K542 PolarHBondContact O-NZ 2.9Å; E524-K549 IonicContact OE1-NZ 3.31Å; E524-K549 PolarHBondContact OE1-NZ 3.09Å |
| 525 | L | 57.9 | Low | 71.6 | Confident | 157 Ų | 157 | 101.9 Ų | 101.9 | 82% | 0.822 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -87.5 | -28.6 | -173.1 | -150.8 | 79.7 | 0 | 0 | 0 | 116.6 | E521 A522 | E521-L525 WeakPolarHBondContact O-CB 3.4Å; E521-L525 PolarHBondContact O-N 2.87Å; A522-L525 PolarHBondContact O-N 3.13Å |
| 526 | R | 56.4 | Low | 71.6 | Confident | 216 Ų | 216 | 100.2 Ų | 100.2 | 82% | 0.815 | 52% | 0.516 | S | S | * | . | trans | -120.4 | 90.2 | -175 | -76.8 | -173.5 | 175.6 | 171.3 | 0.5 | 113.3 | A522 | A522-R526 PolarHBondContact O-N 3.14Š| ||
| 527 | E | 61 | Low | 71.8 | Confident | 66 Ų | 66 | 102.5 Ų | 102.5 | 31% | 0.308 | 52% | 0.524 | S | S | . | . | trans | -131.3 | 102.2 | 158.3 | -71.9 | 178.6 | 157.6 | 0 | 0 | 109.5 | F529 K542 | E527-F529 HydrophobicContact CB-CD1 4.48Å; E527-F529 HydrophobicContact CB-CE1 3.6Å; E527-F529 HydrophobicContact CB-CE2 4.19Å; E527-F529 HydrophobicContact CB-CZ 3.45Å; E527-F529 VanDerWaalsContact CB-CZ 3.45Å; E527-F529 HydrophobicContact CG-CE1 4.22Å; E527-F529 HydrophobicContact CG-CZ 4.25Å; E527-F529 WeakPolarHBondContact OE2-CZ 3.37Å; E527-K542 WeakPolarHBondContact OE1-CE 3.23Å; E527-K542 IonicContact OE1-NZ 2.8Å; E527-K542 VanDerWaalsContact OE2-CD 3.26Å; E527-K542 WeakPolarHBondContact OE2-CD 3.47Å; E527-K542 WeakPolarHBondContact OE2-CE 3.43Å; E527-K542 IonicContact OE2-NZ 2.74Å; E527-K542 PolarHBondContact OE2-NZ 3.34Å | ||
| 528 | T | 63.8 | Low | 71.8 | Confident | 140 Ų | 140 | 98.5 Ų | 98.5 | 86% | 0.859 | 51% | 0.506 | S | S | * | . | trans | -100.1 | 115.8 | 168.1 | 44.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 529 | F | 73.4 | Confident | 72.1 | Confident | 61 Ų | 61 | 98.8 Ų | 98.8 | 27% | 0.268 | 51% | 0.506 | S | S | . | . | trans | -91.7 | 136.4 | -173.8 | -53.7 | -62.8 | 0 | 0 | 0 | 111.4 | E527 Q534 E535 A538 | E527-F529 HydrophobicContact CB-CD1 4.48Å; E527-F529 HydrophobicContact CB-CE1 3.6Å; E527-F529 HydrophobicContact CB-CE2 4.19Å; E527-F529 HydrophobicContact CB-CZ 3.45Å; E527-F529 VanDerWaalsContact CB-CZ 3.45Å; E527-F529 HydrophobicContact CG-CE1 4.22Å; E527-F529 HydrophobicContact CG-CZ 4.25Å; E527-F529 WeakPolarHBondContact OE2-CZ 3.37Å; F529-Q534 HydrophobicContact CD1-CG 4.35Å; F529-E535 HydrophobicContact CB-CB 3.88Å; F529-E535 HydrophobicContact CD1-CB 4.1Å; F529-E535 HydrophobicContact CD2-CB 3.49Å; F529-E535 VanDerWaalsContact CD2-CB 3.49Å; F529-E535 HydrophobicContact CD2-CG 3.47Å; F529-E535 VanDerWaalsContact CD2-CG 3.47Å; F529-E535 HydrophobicContact CE2-CB 4Å; F529-E535 HydrophobicContact CE2-CG 3.64Å; F529-E535 HydrophobicContact CG-CB 3.53Å; F529-E535 HydrophobicContact CG-CG 4.08Å; F529-E535 HydrophobicContact CZ-CB 4.49Å; F529-E535 HydrophobicContact CZ-CG 4.36Å; F529-A538 HydrophobicContact CD1-CB 4.33Å; F529-A538 HydrophobicContact CE1-CB 3.32Å; F529-A538 HydrophobicContact CZ-CB 3.81Å | ||
| 530 | T | 75 | Confident | 72.6 | Confident | 136 Ų | 136 | 97.9 Ų | 97.9 | 83% | 0.834 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -93.1 | -9.4 | 174 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | Q534 | T530-Q534 PolarHBondContact OG1-OE1 2.89Š|
| 531 | S | 80.8 | Confident | 73.2 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -151.7 | 145.2 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | Q533 Q534 E535 | S531-Q533 PolarHBondContact O-N 3.07Å; S531-Q533 PolarHBondContact OG-N 2.89Å; S531-Q534 WeakPolarHBondContact O-CB 3.46Å; S531-Q534 PolarHBondContact O-N 3.36Å; S531-Q534 VanDerWaalsContact O-N 3.09Å; S531-E535 PolarHBondContact O-N 2.9Å |
| 532 | L | 79.6 | Confident | 73.7 | Confident | 130 Ų | 130 | 96.9 Ų | 96.9 | 68% | 0.681 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.1 | -31.4 | 174.7 | -161.8 | 79.7 | 0 | 0 | 0 | 112.1 | E535 V536 | L532-E535 WeakPolarHBondContact O-CB 3.48Å; L532-E535 PolarHBondContact O-N 2.73Å; L532-V536 WeakPolarHBondContact O-CG2 3.41Å; L532-V536 PolarHBondContact O-N 2.67Å |
| 533 | Q | 80.4 | Confident | 74.6 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67 | -43.8 | 177.3 | -164 | 70.5 | 14.5 | 0 | 0 | 111.3 | S531 E535 V536 E537 | S531-Q533 PolarHBondContact O-N 3.07Å; S531-Q533 PolarHBondContact OG-N 2.89Å; Q533-E535 VanDerWaalsContact C-N 3.34Å; Q533-V536 PolarHBondContact O-N 3.18Å; Q533-E537 WeakPolarHBondContact O-CG 3.45Å; Q533-E537 PolarHBondContact O-N 2.66Å |
| 534 | Q | 80.3 | Confident | 75.5 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 42% | 0.416 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 176.5 | -169.4 | -169.6 | 33.1 | 0 | 0 | 111.1 | F529 T530 S531 E537 A538 | F529-Q534 HydrophobicContact CD1-CG 4.35Å; T530-Q534 PolarHBondContact OG1-OE1 2.89Å; S531-Q534 WeakPolarHBondContact O-CB 3.46Å; S531-Q534 PolarHBondContact O-N 3.36Å; S531-Q534 VanDerWaalsContact O-N 3.09Å; Q534-E537 PolarHBondContact O-N 3.06Å; Q534-A538 VanDerWaalsContact O-CB 3.26Å; Q534-A538 WeakPolarHBondContact O-CB 3.25Å; Q534-A538 PolarHBondContact O-N 2.82Å |
| 535 | E | 79.9 | Confident | 76.3 | Confident | 53 Ų | 53 | 103.8 Ų | 103.8 | 25% | 0.248 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 172.8 | 177.3 | 167 | -159.5 | 0 | 0 | 112.1 | F529 S531 L532 Q533 K539 | F529-E535 HydrophobicContact CB-CB 3.88Å; F529-E535 HydrophobicContact CD1-CB 4.1Å; F529-E535 HydrophobicContact CD2-CB 3.49Å; F529-E535 VanDerWaalsContact CD2-CB 3.49Å; F529-E535 HydrophobicContact CD2-CG 3.47Å; F529-E535 VanDerWaalsContact CD2-CG 3.47Å; F529-E535 HydrophobicContact CE2-CB 4Å; F529-E535 HydrophobicContact CE2-CG 3.64Å; F529-E535 HydrophobicContact CG-CB 3.53Å; F529-E535 HydrophobicContact CG-CG 4.08Å; F529-E535 HydrophobicContact CZ-CB 4.49Å; F529-E535 HydrophobicContact CZ-CG 4.36Å; S531-E535 PolarHBondContact O-N 2.9Å; L532-E535 WeakPolarHBondContact O-CB 3.48Å; L532-E535 PolarHBondContact O-N 2.73Å; Q533-E535 VanDerWaalsContact C-N 3.34Å; E535-K539 HydrophobicContact CG-CD 3.9Å; E535-K539 HydrophobicContact CG-CG 4.44Å; E535-K539 VanDerWaalsContact O-CB 3.24Å; E535-K539 WeakPolarHBondContact O-CB 3.45Å; E535-K539 VanDerWaalsContact O-CG 3.27Å; E535-K539 WeakPolarHBondContact O-CG 3.19Å; E535-K539 PolarHBondContact O-N 3.12Å; E535-K539 WeakPolarHBondContact OE1-CE 3.29Å; E535-K539 IonicContact OE1-NZ 3.87Å; E535-K539 PolarHBondContact OE1-NZ 2.87Å |
| 536 | V | 82.6 | Confident | 77.4 | Confident | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 177.7 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | L532 Q533 T540 | L532-V536 WeakPolarHBondContact O-CG2 3.41Å; L532-V536 PolarHBondContact O-N 2.67Å; Q533-V536 PolarHBondContact O-N 3.18Å; V536-T540 VanDerWaalsContact O-CB 3.22Å; V536-T540 WeakPolarHBondContact O-CB 3.41Å; V536-T540 PolarHBondContact O-N 2.73Å; V536-T540 PolarHBondContact O-OG1 2.97Å |
| 537 | E | 82.3 | Confident | 78.6 | Confident | 125 Ų | 125 | 97.5 Ų | 97.5 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65 | -45.8 | 177.5 | -74.7 | 178 | -164.1 | 0 | 0 | 112.3 | Q533 Q534 T540 K541 | Q533-E537 WeakPolarHBondContact O-CG 3.45Å; Q533-E537 PolarHBondContact O-N 2.66Å; Q534-E537 PolarHBondContact O-N 3.06Å; E537-T540 WeakPolarHBondContact O-CB 3.32Å; E537-T540 PolarHBondContact O-N 3.1Å; E537-K541 WeakPolarHBondContact O-CB 3.27Å; E537-K541 PolarHBondContact O-N 3.5Å |
| 538 | A | 79.2 | Confident | 79.4 | Confident | 16 Ų | 16 | 96.8 Ų | 96.8 | 13% | 0.132 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F529 Q534 T540 K541 K542 | F529-A538 HydrophobicContact CD1-CB 4.33Å; F529-A538 HydrophobicContact CE1-CB 3.32Å; F529-A538 HydrophobicContact CZ-CB 3.81Å; Q534-A538 VanDerWaalsContact O-CB 3.26Å; Q534-A538 WeakPolarHBondContact O-CB 3.25Å; Q534-A538 PolarHBondContact O-N 2.82Å; A538-T540 VanDerWaalsContact C-N 3.27Å; A538-T540 PolarHBondContact O-N 3.26Å; A538-K541 CarbonylContact O-C 3.44Å; A538-K541 WeakPolarHBondContact O-CB 3.42Å; A538-K541 PolarHBondContact O-N 3.28Å; A538-K541 VanDerWaalsContact O-N 3.08Å; A538-K542 PolarHBondContact O-N 3Å |
| 539 | K | 81.5 | Confident | 80.1 | Confident | 113 Ų | 113 | 94.2 Ų | 94.2 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 173.2 | -73.9 | -179.9 | -178.6 | 176.4 | 0 | 111.9 | E535 K542 L543 | E535-K539 HydrophobicContact CG-CD 3.9Å; E535-K539 HydrophobicContact CG-CG 4.44Å; E535-K539 VanDerWaalsContact O-CB 3.24Å; E535-K539 WeakPolarHBondContact O-CB 3.45Å; E535-K539 VanDerWaalsContact O-CG 3.27Å; E535-K539 WeakPolarHBondContact O-CG 3.19Å; E535-K539 PolarHBondContact O-N 3.12Å; E535-K539 WeakPolarHBondContact OE1-CE 3.29Å; E535-K539 IonicContact OE1-NZ 3.87Å; E535-K539 PolarHBondContact OE1-NZ 2.87Å; K539-K542 PolarHBondContact O-N 2.87Å; K539-L543 WeakPolarHBondContact O-CB 3.32Å; K539-L543 PolarHBondContact O-N 3.17Å |
| 540 | T | 84.8 | Confident | 80.5 | Confident | 60 Ų | 60 | 95.3 Ų | 95.3 | 37% | 0.368 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 173.2 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | V536 E537 A538 L543 K544 | V536-T540 VanDerWaalsContact O-CB 3.22Å; V536-T540 WeakPolarHBondContact O-CB 3.41Å; V536-T540 PolarHBondContact O-N 2.73Å; V536-T540 PolarHBondContact O-OG1 2.97Å; E537-T540 WeakPolarHBondContact O-CB 3.32Å; E537-T540 PolarHBondContact O-N 3.1Å; A538-T540 VanDerWaalsContact C-N 3.27Å; A538-T540 PolarHBondContact O-N 3.26Å; T540-L543 PolarHBondContact O-N 3.33Å; T540-K544 HydrophobicContact CG2-CD 4.5Å; T540-K544 WeakPolarHBondContact O-CG 3.26Å; T540-K544 PolarHBondContact O-N 3.1Å |
| 541 | K | 82.6 | Confident | 80.9 | Confident | 147 Ų | 147 | 92.2 Ų | 92.2 | 64% | 0.639 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.1 | -43 | 175.4 | -168.4 | 178.5 | -178.2 | -178.4 | 0 | 111.7 | E537 A538 K544 K545 | E537-K541 WeakPolarHBondContact O-CB 3.27Å; E537-K541 PolarHBondContact O-N 3.5Å; A538-K541 CarbonylContact O-C 3.44Å; A538-K541 WeakPolarHBondContact O-CB 3.42Å; A538-K541 PolarHBondContact O-N 3.28Å; A538-K541 VanDerWaalsContact O-N 3.08Å; K541-K544 PolarHBondContact O-N 2.68Å; K541-K545 PolarHBondContact O-N 3.37Å |
| 542 | K | 80.1 | Confident | 80.7 | Confident | 45 Ų | 45 | 91.8 Ų | 91.8 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 171.9 | -81.3 | -174.2 | 170 | 169.4 | 0 | 112 | V523 E524 E527 A538 K539 K544 K545 L546 | V523-K542 WeakPolarHBondContact O-CE 3.23Å; V523-K542 PolarHBondContact O-NZ 3.48Å; E524-K542 PolarHBondContact O-NZ 2.9Å; E527-K542 WeakPolarHBondContact OE1-CE 3.23Å; E527-K542 IonicContact OE1-NZ 2.8Å; E527-K542 VanDerWaalsContact OE2-CD 3.26Å; E527-K542 WeakPolarHBondContact OE2-CD 3.47Å; E527-K542 WeakPolarHBondContact OE2-CE 3.43Å; E527-K542 IonicContact OE2-NZ 2.74Å; E527-K542 PolarHBondContact OE2-NZ 3.34Å; A538-K542 PolarHBondContact O-N 3Å; K539-K542 PolarHBondContact O-N 2.87Å; K542-K544 VanDerWaalsContact C-N 3.33Å; K542-K544 PolarHBondContact O-N 3.47Å; K542-K545 WeakPolarHBondContact O-CB 3.35Å; K542-K545 PolarHBondContact O-N 2.87Å; K542-L546 WeakPolarHBondContact O-CB 3.39Å; K542-L546 WeakPolarHBondContact O-CG 3.3Å; K542-L546 PolarHBondContact O-N 2.84Å |
| 543 | L | 81.3 | Confident | 80.6 | Confident | 120 Ų | 120 | 88.9 Ų | 88.9 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 176 | -176.5 | 63.3 | 0 | 0 | 0 | 111.5 | K539 T540 L546 Y547 | K539-L543 WeakPolarHBondContact O-CB 3.32Å; K539-L543 PolarHBondContact O-N 3.17Å; T540-L543 PolarHBondContact O-N 3.33Å; L543-L546 PolarHBondContact O-N 3.4Å; L543-Y547 WeakPolarHBondContact O-CB 3.33Å; L543-Y547 PolarHBondContact O-N 3.44Å |
| 544 | K | 81.8 | Confident | 80.7 | Confident | 148 Ų | 148 | 88.3 Ų | 88.3 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 172.9 | -74.3 | 175.1 | -179.7 | -179.9 | 0 | 112.4 | T540 K541 K542 Y547 A548 | T540-K544 HydrophobicContact CG2-CD 4.5Å; T540-K544 WeakPolarHBondContact O-CG 3.26Å; T540-K544 PolarHBondContact O-N 3.1Å; K541-K544 PolarHBondContact O-N 2.68Å; K542-K544 VanDerWaalsContact C-N 3.33Å; K542-K544 PolarHBondContact O-N 3.47Å; K544-Y547 PolarHBondContact O-N 3.39Å; K544-A548 WeakPolarHBondContact O-CB 3.46Å; K544-A548 PolarHBondContact O-N 2.74Å |
| 545 | K | 78.1 | Confident | 80.6 | Confident | 94 Ų | 94 | 85.4 Ų | 85.4 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 173.5 | -84.2 | -166.6 | 169.6 | -161.7 | 0 | 112 | K541 K542 A548 K549 | K541-K545 PolarHBondContact O-N 3.37Å; K542-K545 WeakPolarHBondContact O-CB 3.35Å; K542-K545 PolarHBondContact O-N 2.87Å; K545-A548 WeakPolarHBondContact O-CB 3.36Å; K545-A548 PolarHBondContact O-N 2.9Å; K545-K549 PolarHBondContact O-N 2.98Å |
| 546 | L | 79.8 | Confident | 80.6 | Confident | 97 Ų | 97 | 87.4 Ų | 87.4 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | -179 | -70.8 | 171.5 | 0 | 0 | 0 | 112 | K542 L543 K549 L550 | K542-L546 WeakPolarHBondContact O-CB 3.39Å; K542-L546 WeakPolarHBondContact O-CG 3.3Å; K542-L546 PolarHBondContact O-N 2.84Å; L543-L546 PolarHBondContact O-N 3.4Å; L546-K549 PolarHBondContact O-N 3.1Å; L546-L550 VanDerWaalsContact O-CB 3.24Å; L546-L550 WeakPolarHBondContact O-CB 3.18Å; L546-L550 PolarHBondContact O-N 3.04Å |
| 547 | Y | 81.9 | Confident | 80.5 | Confident | 143 Ų | 143 | 89 Ų | 89 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.2 | -40.3 | 172.7 | -169.9 | -88.7 | 0 | 0 | 0 | 111.4 | L543 K544 L550 Q551 | L543-Y547 WeakPolarHBondContact O-CB 3.33Å; L543-Y547 PolarHBondContact O-N 3.44Å; K544-Y547 PolarHBondContact O-N 3.39Å; Y547-L550 PolarHBondContact O-N 3.28Å; Y547-Q551 HydrophobicContact CD1-CG 3.97Å; Y547-Q551 HydrophobicContact CE1-CG 3.7Å; Y547-Q551 VanDerWaalsContact O-CG 3.3Å; Y547-Q551 WeakPolarHBondContact O-CG 3.38Å; Y547-Q551 PolarHBondContact O-N 2.89Å; Y547-Q551 PolarHBondContact OH-NE2 2.93Å |
| 548 | A | 78.4 | Confident | 80.6 | Confident | 51 Ų | 51 | 89.2 Ų | 89.2 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.9 | -50.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | K544 K545 L550 Q551 C552 | K544-A548 WeakPolarHBondContact O-CB 3.46Å; K544-A548 PolarHBondContact O-N 2.74Å; K545-A548 WeakPolarHBondContact O-CB 3.36Å; K545-A548 PolarHBondContact O-N 2.9Å; A548-L550 VanDerWaalsContact C-N 3.28Å; A548-L550 PolarHBondContact O-N 2.69Å; A548-Q551 PolarHBondContact O-N 3.08Å; A548-Q551 VanDerWaalsContact O-N 3.1Å; A548-C552 PolarHBondContact O-N 2.79Å; A548-C552 PolarHBondContact O-SG 3.2Å |
| 549 | K | 78.6 | Confident | 80.5 | Confident | 86 Ų | 86 | 90 Ų | 90 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -52.4 | -46.6 | 173.5 | -74.3 | -173.3 | 177.8 | -178.5 | 0 | 110.6 | E520 E524 K545 L546 Q551 C552 T553 | E520-K549 VanDerWaalsContact OE2-CE 3.3Å; E520-K549 WeakPolarHBondContact OE2-CE 3.24Å; E520-K549 IonicContact OE2-NZ 3.73Å; E520-K549 PolarHBondContact OE2-NZ 3.27Å; E524-K549 IonicContact OE1-NZ 3.31Å; E524-K549 PolarHBondContact OE1-NZ 3.09Å; K545-K549 PolarHBondContact O-N 2.98Å; L546-K549 PolarHBondContact O-N 3.1Å; K549-Q551 PolarHBondContact O-N 3.14Å; K549-C552 WeakPolarHBondContact O-CB 3.32Å; K549-C552 PolarHBondContact O-N 3.47Å; K549-T553 PolarHBondContact O-N 2.96Å; K549-T553 PolarHBondContact O-OG1 3.24Å; K549-T553 VanDerWaalsContact O-OG1 3.12Å |
| 550 | L | 82.3 | Confident | 80.3 | Confident | 85 Ų | 85 | 87.7 Ų | 87.7 | 45% | 0.445 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.4 | 179.6 | 64.3 | 0 | 0 | 0 | 113.5 | L546 Y547 A548 T553 K554 | L546-L550 VanDerWaalsContact O-CB 3.24Å; L546-L550 WeakPolarHBondContact O-CB 3.18Å; L546-L550 PolarHBondContact O-N 3.04Å; Y547-L550 PolarHBondContact O-N 3.28Å; A548-L550 VanDerWaalsContact C-N 3.28Å; A548-L550 PolarHBondContact O-N 2.69Å; L550-T553 PolarHBondContact O-N 3.4Å; L550-K554 HydrophobicContact CG-CD 4.41Å; L550-K554 WeakPolarHBondContact O-CB 3.48Å; L550-K554 WeakPolarHBondContact O-CG 3.36Å; L550-K554 PolarHBondContact O-N 2.86Å |
| 551 | Q | 82.1 | Confident | 80.1 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 33% | 0.327 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 176.6 | -68.8 | -69.4 | 18.2 | 0 | 0 | 111.7 | Y547 A548 K549 K554 A555 | Y547-Q551 HydrophobicContact CD1-CG 3.97Å; Y547-Q551 HydrophobicContact CE1-CG 3.7Å; Y547-Q551 VanDerWaalsContact O-CG 3.3Å; Y547-Q551 WeakPolarHBondContact O-CG 3.38Å; Y547-Q551 PolarHBondContact O-N 2.89Å; Y547-Q551 PolarHBondContact OH-NE2 2.93Å; A548-Q551 PolarHBondContact O-N 3.08Å; A548-Q551 VanDerWaalsContact O-N 3.1Å; K549-Q551 PolarHBondContact O-N 3.14Å; Q551-K554 PolarHBondContact O-N 3.44Å; Q551-A555 WeakPolarHBondContact O-CB 3.49Å; Q551-A555 PolarHBondContact O-N 3.44Å |
| 552 | C | 76.7 | Confident | 80 | Confident | 53 Ų | 53 | 84.4 Ų | 84.4 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.9 | -51.6 | 170.3 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | P54 A548 K549 K554 A555 E556 | P54-C552 WeakPolarHBondContact CG-SG 3.4Å; A548-C552 PolarHBondContact O-N 2.79Å; A548-C552 PolarHBondContact O-SG 3.2Å; K549-C552 WeakPolarHBondContact O-CB 3.32Å; K549-C552 PolarHBondContact O-N 3.47Å; C552-K554 VanDerWaalsContact C-N 3.33Å; C552-K554 PolarHBondContact O-N 3.35Å; C552-A555 PolarHBondContact O-N 2.83Å; C552-E556 PolarHBondContact O-N 3.23Å |
| 553 | T | 78 | Confident | 79.7 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 179.6 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | K549 L550 E556 I557 | K549-T553 PolarHBondContact O-N 2.96Å; K549-T553 PolarHBondContact O-OG1 3.24Å; K549-T553 VanDerWaalsContact O-OG1 3.12Å; L550-T553 PolarHBondContact O-N 3.4Å; T553-E556 PolarHBondContact O-N 3.28Å; T553-I557 HydrophobicContact CG2-CD1 3.97Å; T553-I557 HydrophobicContact CG2-CG1 4.45Å; T553-I557 WeakPolarHBondContact O-CB 3.47Å; T553-I557 VanDerWaalsContact O-CG1 3.25Å; T553-I557 WeakPolarHBondContact O-CG1 3.32Å; T553-I557 PolarHBondContact O-N 3.47Å |
| 554 | K | 82 | Confident | 79.4 | Confident | 113 Ų | 113 | 84.3 Ų | 84.3 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 173.8 | -79 | 178.7 | 177.2 | -175.6 | 0 | 112.7 | L550 Q551 C552 E556 K558 | L550-K554 HydrophobicContact CG-CD 4.41Å; L550-K554 WeakPolarHBondContact O-CB 3.48Å; L550-K554 WeakPolarHBondContact O-CG 3.36Å; L550-K554 PolarHBondContact O-N 2.86Å; Q551-K554 PolarHBondContact O-N 3.44Å; C552-K554 VanDerWaalsContact C-N 3.33Å; C552-K554 PolarHBondContact O-N 3.35Å; K554-E556 VanDerWaalsContact C-N 3.35Å; K554-K558 WeakPolarHBondContact O-CB 3.46Å; K554-K558 PolarHBondContact O-N 2.92Å |
| 555 | A | 79.4 | Confident | 79.4 | Confident | 28 Ų | 28 | 79.6 Ų | 79.6 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q551 C552 K558 D559 | Q551-A555 WeakPolarHBondContact O-CB 3.49Å; Q551-A555 PolarHBondContact O-N 3.44Å; C552-A555 PolarHBondContact O-N 2.83Å; A555-K558 PolarHBondContact O-N 2.86Å; A555-D559 WeakPolarHBondContact O-CB 3.4Å; A555-D559 VanDerWaalsContact O-CG 3.26Å; A555-D559 PolarHBondContact O-N 3.31Å |
| 556 | E | 78.9 | Confident | 79.3 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.5 | -178.3 | 162.8 | -133.6 | 0 | 0 | 113 | C552 T553 K554 K558 D559 V560 | C552-E556 PolarHBondContact O-N 3.23Å; T553-E556 PolarHBondContact O-N 3.28Å; K554-E556 VanDerWaalsContact C-N 3.35Å; E556-K558 VanDerWaalsContact C-N 3.3Å; E556-K558 PolarHBondContact O-N 2.89Å; E556-D559 PolarHBondContact O-N 2.94Å; E556-V560 HydrophobicContact CG-CG2 4.41Å; E556-V560 WeakPolarHBondContact O-CB 3.48Å; E556-V560 WeakPolarHBondContact O-CG2 3.4Å; E556-V560 PolarHBondContact O-N 3.34Å |
| 557 | I | 81.4 | Confident | 78.8 | Confident | 112 Ų | 112 | 78.1 Ų | 78.1 | 57% | 0.574 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58 | -44.4 | 173.8 | -71.9 | 165.2 | 0 | 0 | 0 | 110.5 | T553 V560 N561 | T553-I557 HydrophobicContact CG2-CD1 3.97Å; T553-I557 HydrophobicContact CG2-CG1 4.45Å; T553-I557 WeakPolarHBondContact O-CB 3.47Å; T553-I557 VanDerWaalsContact O-CG1 3.25Å; T553-I557 WeakPolarHBondContact O-CG1 3.32Å; T553-I557 PolarHBondContact O-N 3.47Å; I557-V560 PolarHBondContact O-N 3.09Å; I557-N561 WeakPolarHBondContact O-CB 3.37Å; I557-N561 PolarHBondContact O-N 3.44Å |
| 558 | K | 83.6 | Confident | 78.6 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.1 | -49.6 | 176.6 | -170.7 | -157 | 169.6 | -153.9 | 0 | 111 | K554 A555 E556 V560 N561 D562 | K554-K558 WeakPolarHBondContact O-CB 3.46Å; K554-K558 PolarHBondContact O-N 2.92Å; A555-K558 PolarHBondContact O-N 2.86Å; E556-K558 VanDerWaalsContact C-N 3.3Å; E556-K558 PolarHBondContact O-N 2.89Å; K558-V560 VanDerWaalsContact C-N 3.31Å; K558-V560 PolarHBondContact O-N 2.83Å; K558-N561 WeakPolarHBondContact O-CB 3.34Å; K558-N561 PolarHBondContact O-N 3.29Å; K558-N561 VanDerWaalsContact O-N 3.17Å; K558-D562 VanDerWaalsContact CE-OD2 3.25Å; K558-D562 WeakPolarHBondContact CE-OD2 3.24Å; K558-D562 IonicContact NZ-OD2 3.43Å; K558-D562 WeakPolarHBondContact O-CB 3.4Å; K558-D562 VanDerWaalsContact O-CG 3.31Å; K558-D562 PolarHBondContact O-N 3.36Å |
| 559 | D | 78.4 | Confident | 78.6 | Confident | 34 Ų | 34 | 80.4 Ų | 80.4 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 179.1 | -73.2 | -30.2 | 0 | 0 | 0 | 112.6 | K56 R336 A555 E556 D562 E563 | K56-D559 WeakPolarHBondContact CE-OD2 3.3Å; K56-D559 IonicContact NZ-OD1 2.77Å; K56-D559 IonicContact NZ-OD2 3.61Å; K56-D559 PolarHBondContact NZ-OD2 2.88Å; R336-D559 IonicContact NH2-OD2 3.44Å; A555-D559 WeakPolarHBondContact O-CB 3.4Å; A555-D559 VanDerWaalsContact O-CG 3.26Å; A555-D559 PolarHBondContact O-N 3.31Å; E556-D559 PolarHBondContact O-N 2.94Å; D559-D562 PolarHBondContact O-N 3.4Å; D559-E563 WeakPolarHBondContact O-CB 3.37Å; D559-E563 PolarHBondContact O-N 3.4Å |
| 560 | V | 77.1 | Confident | 78.3 | Confident | 64 Ų | 64 | 78.9 Ų | 78.9 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.6 | -38.7 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | E556 I557 K558 E563 H564 | E556-V560 HydrophobicContact CG-CG2 4.41Å; E556-V560 WeakPolarHBondContact O-CB 3.48Å; E556-V560 WeakPolarHBondContact O-CG2 3.4Å; E556-V560 PolarHBondContact O-N 3.34Å; I557-V560 PolarHBondContact O-N 3.09Å; K558-V560 VanDerWaalsContact C-N 3.31Å; K558-V560 PolarHBondContact O-N 2.83Å; V560-E563 PolarHBondContact O-N 3.47Å; V560-H564 VanDerWaalsContact O-CB 3.29Å; V560-H564 WeakPolarHBondContact O-CB 3.48Å; V560-H564 PolarHBondContact O-N 2.73Å |
| 561 | N | 79.9 | Confident | 77.8 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 172.4 | 179.8 | 85.4 | 0 | 0 | 0 | 111.9 | I557 K558 E563 H564 V565 | I557-N561 WeakPolarHBondContact O-CB 3.37Å; I557-N561 PolarHBondContact O-N 3.44Å; K558-N561 WeakPolarHBondContact O-CB 3.34Å; K558-N561 PolarHBondContact O-N 3.29Å; K558-N561 VanDerWaalsContact O-N 3.17Å; N561-E563 VanDerWaalsContact C-N 3.28Å; N561-E563 PolarHBondContact O-N 2.84Å; N561-H564 PolarHBondContact O-N 2.98Å; N561-V565 WeakPolarHBondContact O-CB 3.42Å; N561-V565 WeakPolarHBondContact O-CG2 3.32Å; N561-V565 PolarHBondContact O-N 3.24Å |
| 562 | D | 79.4 | Confident | 77.7 | Confident | 49 Ų | 49 | 81.6 Ų | 81.6 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.9 | -30.3 | 177.8 | -69.6 | -2.7 | 0 | 0 | 0 | 111.9 | K558 D559 R566 | K558-D562 VanDerWaalsContact CE-OD2 3.25Å; K558-D562 WeakPolarHBondContact CE-OD2 3.24Å; K558-D562 IonicContact NZ-OD2 3.43Å; K558-D562 WeakPolarHBondContact O-CB 3.4Å; K558-D562 VanDerWaalsContact O-CG 3.31Å; K558-D562 PolarHBondContact O-N 3.36Å; D559-D562 PolarHBondContact O-N 3.4Å; D562-R566 WeakPolarHBondContact O-CG 3.4Å; D562-R566 PolarHBondContact O-N 2.73Å; D562-R566 PolarHBondContact O-NE 2.9Å; D562-R566 VanDerWaalsContact O-NE 3.09Å |
| 563 | E | 74.1 | Confident | 77.7 | Confident | 42 Ų | 42 | 85.2 Ų | 85.2 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.7 | -41.1 | 172.1 | -173.9 | 177.5 | 175.2 | 0 | 0 | 111.9 | R255 R336 D559 V560 N561 R566 S567 | R255-E563 IonicContact NH2-OE1 3.76Å; R255-E563 PolarHBondContact NH2-OE1 3.47Å; R255-E563 VanDerWaalsContact NH2-OE1 3.09Å; R336-E563 IonicContact CZ-OE2 2.81Å; R336-E563 IonicContact NH1-OE2 3.76Å; R336-E563 PolarHBondContact NH1-OE2 2.92Å; D559-E563 WeakPolarHBondContact O-CB 3.37Å; D559-E563 PolarHBondContact O-N 3.4Å; V560-E563 PolarHBondContact O-N 3.47Å; N561-E563 VanDerWaalsContact C-N 3.28Å; N561-E563 PolarHBondContact O-N 2.84Å; E563-R566 PolarHBondContact O-N 2.71Å; E563-S567 WeakPolarHBondContact O-CB 3.31Å; E563-S567 PolarHBondContact O-N 3.33Å |
| 564 | H | 75.8 | Confident | 77.4 | Confident | 120 Ų | 120 | 84.7 Ų | 84.7 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 176.1 | -178.1 | 72.3 | 0 | 0 | 0 | 112 | V560 N561 S567 R568 | V560-H564 VanDerWaalsContact O-CB 3.29Å; V560-H564 WeakPolarHBondContact O-CB 3.48Å; V560-H564 PolarHBondContact O-N 2.73Å; N561-H564 PolarHBondContact O-N 2.98Å; H564-S567 PolarHBondContact O-N 2.86Å; H564-R568 WeakPolarHBondContact O-CB 3.39Å; H564-R568 PolarHBondContact O-N 3.01Å |
| 565 | V | 80.6 | Confident | 77.2 | Confident | 49 Ų | 49 | 85.5 Ų | 85.5 | 30% | 0.297 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.5 | 168.6 | 0 | 0 | 0 | 0 | 111 | N561 R568 Q569 | N561-V565 WeakPolarHBondContact O-CB 3.42Å; N561-V565 WeakPolarHBondContact O-CG2 3.32Å; N561-V565 PolarHBondContact O-N 3.24Å; V565-R568 PolarHBondContact O-N 3.04Å; V565-Q569 WeakPolarHBondContact O-CG 3.24Å; V565-Q569 PolarHBondContact O-N 3.21Å |
| 566 | R | 76.5 | Confident | 77.4 | Confident | 119 Ų | 119 | 89 Ų | 89 | 45% | 0.449 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 173.5 | -80.1 | 179.5 | -105.1 | -174.8 | -8 | 111.8 | D562 E563 R568 Q569 E570 | D562-R566 WeakPolarHBondContact O-CG 3.4Å; D562-R566 PolarHBondContact O-N 2.73Å; D562-R566 PolarHBondContact O-NE 2.9Å; D562-R566 VanDerWaalsContact O-NE 3.09Å; E563-R566 PolarHBondContact O-N 2.71Å; R566-R568 VanDerWaalsContact C-N 3.3Å; R566-R568 PolarHBondContact O-N 2.94Å; R566-Q569 WeakPolarHBondContact O-CB 3.44Å; R566-Q569 PolarHBondContact O-N 3.05Å; R566-Q569 VanDerWaalsContact O-N 3.09Å; R566-E570 WeakPolarHBondContact O-CG 3.47Å; R566-E570 PolarHBondContact O-N 2.94Å |
| 567 | S | 70.3 | Confident | 77.3 | Confident | 42 Ų | 42 | 88.9 Ų | 88.9 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | E563 H564 Q569 E570 L571 | E563-S567 WeakPolarHBondContact O-CB 3.31Å; E563-S567 PolarHBondContact O-N 3.33Å; H564-S567 PolarHBondContact O-N 2.86Å; S567-Q569 PolarHBondContact O-N 3.09Å; S567-E570 WeakPolarHBondContact CA-OE2 3.34Å; S567-E570 PolarHBondContact O-N 3.13Å; S567-L571 WeakPolarHBondContact O-CB 3.49Å; S567-L571 WeakPolarHBondContact O-CG 3.33Å; S567-L571 PolarHBondContact O-N 3.17Å |
| 568 | R | 77.7 | Confident | 77 | Confident | 145 Ų | 145 | 88.6 Ų | 88.6 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.6 | -159.8 | -171.1 | 79.5 | -166 | 4.4 | 112.2 | H564 V565 R566 E572 | H564-R568 WeakPolarHBondContact O-CB 3.39Å; H564-R568 PolarHBondContact O-N 3.01Å; V565-R568 PolarHBondContact O-N 3.04Å; R566-R568 VanDerWaalsContact C-N 3.3Å; R566-R568 PolarHBondContact O-N 2.94Å; R568-E572 VanDerWaalsContact O-CB 3.23Å; R568-E572 WeakPolarHBondContact O-CB 3.23Å; R568-E572 PolarHBondContact O-N 3.38Å |
| 569 | Q | 78.4 | Confident | 77.1 | Confident | 96 Ų | 96 | 84.8 Ų | 84.8 | 45% | 0.449 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 175.4 | -71.7 | 170.1 | -20.2 | 0 | 0 | 112.1 | V565 R566 S567 E572 Q573 | V565-Q569 WeakPolarHBondContact O-CG 3.24Å; V565-Q569 PolarHBondContact O-N 3.21Å; R566-Q569 WeakPolarHBondContact O-CB 3.44Å; R566-Q569 PolarHBondContact O-N 3.05Å; R566-Q569 VanDerWaalsContact O-N 3.09Å; S567-Q569 PolarHBondContact O-N 3.09Å; Q569-E572 PolarHBondContact O-N 3.48Å; Q569-Q573 WeakPolarHBondContact O-CB 3.48Å; Q569-Q573 VanDerWaalsContact O-CG 3.31Å; Q569-Q573 WeakPolarHBondContact O-CG 3.46Å; Q569-Q573 PolarHBondContact O-N 3.41Å |
| 570 | E | 70.6 | Confident | 77.3 | Confident | 55 Ų | 55 | 92.5 Ų | 92.5 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 174.8 | -70 | 169.6 | 144.2 | 0 | 0 | 111.3 | R255 R566 S567 T574 | R255-E570 VanDerWaalsContact CD-OE1 3.3Å; R255-E570 WeakPolarHBondContact CD-OE1 3.46Å; R255-E570 IonicContact CZ-OE2 3.66Å; R255-E570 IonicContact NH1-OE2 3.31Å; R255-E570 PolarHBondContact NH1-OE2 3.34Å; R566-E570 WeakPolarHBondContact O-CG 3.47Å; R566-E570 PolarHBondContact O-N 2.94Å; S567-E570 WeakPolarHBondContact CA-OE2 3.34Å; S567-E570 PolarHBondContact O-N 3.13Å; E570-T574 PolarHBondContact O-N 3.36Å; E570-T574 PolarHBondContact O-OG1 3.05Å |
| 571 | L | 72.7 | Confident | 77.5 | Confident | 113 Ų | 113 | 91.8 Ų | 91.8 | 59% | 0.592 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.5 | -41.3 | 174.8 | -71.4 | 170 | 0 | 0 | 0 | 112.6 | S567 Q573 T574 Q575 | S567-L571 WeakPolarHBondContact O-CB 3.49Å; S567-L571 WeakPolarHBondContact O-CG 3.33Å; S567-L571 PolarHBondContact O-N 3.17Å; L571-Q573 VanDerWaalsContact C-N 3.34Å; L571-Q573 PolarHBondContact O-N 2.83Å; L571-T574 PolarHBondContact O-N 3.33Å; L571-Q575 WeakPolarHBondContact O-CB 3.27Å; L571-Q575 PolarHBondContact O-N 2.94Å |
| 572 | E | 79.1 | Confident | 77.6 | Confident | 98 Ų | 98 | 91.9 Ų | 91.9 | 46% | 0.458 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 177.4 | -175 | 173 | -177.2 | 0 | 0 | 111.6 | R568 Q569 N576 | R568-E572 VanDerWaalsContact O-CB 3.23Å; R568-E572 WeakPolarHBondContact O-CB 3.23Å; R568-E572 PolarHBondContact O-N 3.38Å; Q569-E572 PolarHBondContact O-N 3.48Å; E572-N576 WeakPolarHBondContact O-CB 3.3Å; E572-N576 PolarHBondContact O-N 3.5Å; E572-N576 VanDerWaalsContact O-N 3.07Å; E572-N576 PolarHBondContact O-ND2 2.9Å |
| 573 | Q | 77.1 | Confident | 78.1 | Confident | 129 Ų | 129 | 96.2 Ų | 96.2 | 60% | 0.603 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.5 | -52 | 171.8 | -73.7 | 173 | 6.1 | 0 | 0 | 111.4 | Q569 L571 Q575 N576 E577 | Q569-Q573 WeakPolarHBondContact O-CB 3.48Å; Q569-Q573 VanDerWaalsContact O-CG 3.31Å; Q569-Q573 WeakPolarHBondContact O-CG 3.46Å; Q569-Q573 PolarHBondContact O-N 3.41Å; L571-Q573 VanDerWaalsContact C-N 3.34Å; L571-Q573 PolarHBondContact O-N 2.83Å; Q573-Q575 VanDerWaalsContact C-N 3.29Å; Q573-Q575 PolarHBondContact O-N 3.39Å; Q573-N576 PolarHBondContact O-N 3Å; Q573-E577 PolarHBondContact O-N 2.9Å |
| 574 | T | 72.3 | Confident | 78.7 | Confident | 59 Ų | 59 | 100 Ų | 100 | 36% | 0.362 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.3 | -42.2 | 176.8 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | E570 L571 N576 E577 L578 | E570-T574 PolarHBondContact O-N 3.36Å; E570-T574 PolarHBondContact O-OG1 3.05Å; L571-T574 PolarHBondContact O-N 3.33Å; T574-N576 PolarHBondContact O-N 2.69Å; T574-E577 PolarHBondContact O-N 2.78Å; T574-L578 HydrophobicContact CG2-CD1 3.96Å; T574-L578 HydrophobicContact CG2-CG 4.35Å; T574-L578 WeakPolarHBondContact O-CB 3.42Å; T574-L578 WeakPolarHBondContact O-CG 3.2Å; T574-L578 PolarHBondContact O-N 2.88Å |
| 575 | Q | 78.8 | Confident | 79.2 | Confident | 130 Ų | 130 | 99.3 Ų | 99.3 | 61% | 0.607 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.6 | -41.4 | 176.5 | -175.4 | -179.2 | 5.7 | 0 | 0 | 112 | L571 Q573 T579 | L571-Q575 WeakPolarHBondContact O-CB 3.27Å; L571-Q575 PolarHBondContact O-N 2.94Å; Q573-Q575 VanDerWaalsContact C-N 3.29Å; Q573-Q575 PolarHBondContact O-N 3.39Å; Q575-T579 WeakPolarHBondContact O-CB 3.4Å; Q575-T579 PolarHBondContact O-N 2.95Å; Q575-T579 PolarHBondContact O-OG1 3.28Å |
| 576 | N | 82.2 | Confident | 79.5 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 54% | 0.54 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 176.8 | -81.7 | -62.6 | 0 | 0 | 0 | 112.2 | E572 Q573 T574 T579 R580 | E572-N576 WeakPolarHBondContact O-CB 3.3Å; E572-N576 PolarHBondContact O-N 3.5Å; E572-N576 VanDerWaalsContact O-N 3.07Å; E572-N576 PolarHBondContact O-ND2 2.9Å; Q573-N576 PolarHBondContact O-N 3Å; T574-N576 PolarHBondContact O-N 2.69Å; N576-T579 PolarHBondContact O-N 2.99Å; N576-R580 WeakPolarHBondContact O-CB 3.41Å; N576-R580 PolarHBondContact O-N 2.73Å |
| 577 | E | 76.6 | Confident | 80.1 | Confident | 93 Ų | 93 | 102 Ų | 102 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 176.3 | -68.7 | -171 | 153.6 | 0 | 0 | 112.5 | L266 Q573 T574 T579 R580 E581 | L266-E577 WeakPolarHBondContact CD2-OE2 3.33Å; Q573-E577 PolarHBondContact O-N 2.9Å; T574-E577 PolarHBondContact O-N 2.78Å; E577-T579 VanDerWaalsContact C-N 3.29Å; E577-T579 PolarHBondContact O-N 3.33Å; E577-R580 WeakPolarHBondContact O-CB 3.5Å; E577-R580 PolarHBondContact O-N 3.07Å; E577-R580 VanDerWaalsContact O-N 3.09Å; E577-E581 PolarHBondContact O-N 2.97Å |
| 578 | L | 75.8 | Confident | 80.9 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.1 | -40.2 | 172.9 | -71.4 | 172.5 | 0 | 0 | 0 | 111.4 | T574 R580 E581 L582 | T574-L578 HydrophobicContact CG2-CD1 3.96Å; T574-L578 HydrophobicContact CG2-CG 4.35Å; T574-L578 WeakPolarHBondContact O-CB 3.42Å; T574-L578 WeakPolarHBondContact O-CG 3.2Å; T574-L578 PolarHBondContact O-N 2.88Å; L578-R580 VanDerWaalsContact C-N 3.31Å; L578-R580 PolarHBondContact O-N 3.07Å; L578-E581 PolarHBondContact O-N 3.31Å; L578-L582 WeakPolarHBondContact O-CB 3.49Å; L578-L582 PolarHBondContact O-N 2.91Å |
| 579 | T | 84.9 | Confident | 81.2 | Confident | 47 Ų | 47 | 98.9 Ų | 98.9 | 29% | 0.288 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 174.7 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | Q575 N576 E577 K583 | Q575-T579 WeakPolarHBondContact O-CB 3.4Å; Q575-T579 PolarHBondContact O-N 2.95Å; Q575-T579 PolarHBondContact O-OG1 3.28Å; N576-T579 PolarHBondContact O-N 2.99Å; E577-T579 VanDerWaalsContact C-N 3.29Å; E577-T579 PolarHBondContact O-N 3.33Å; T579-K583 HydrophobicContact CG2-CD 4.16Å; T579-K583 WeakPolarHBondContact O-CB 3.35Å; T579-K583 VanDerWaalsContact O-CG 3.24Å; T579-K583 WeakPolarHBondContact O-CG 3.48Å; T579-K583 PolarHBondContact O-N 2.91Å |
| 580 | R | 83.7 | Confident | 81.5 | Confident | 196 Ų | 196 | 100.1 Ų | 100.1 | 74% | 0.74 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.9 | -46 | 175 | 176.7 | -177.4 | 170.2 | -165.8 | -3.7 | 111.7 | N576 E577 L578 K583 F584 | N576-R580 WeakPolarHBondContact O-CB 3.41Å; N576-R580 PolarHBondContact O-N 2.73Å; E577-R580 WeakPolarHBondContact O-CB 3.5Å; E577-R580 PolarHBondContact O-N 3.07Å; E577-R580 VanDerWaalsContact O-N 3.09Å; L578-R580 VanDerWaalsContact C-N 3.31Å; L578-R580 PolarHBondContact O-N 3.07Å; R580-K583 PolarHBondContact O-N 3.41Å; R580-F584 WeakPolarHBondContact O-CB 3.39Å; R580-F584 PolarHBondContact O-N 3.48Å |
| 581 | E | 80.2 | Confident | 82.4 | Confident | 50 Ų | 50 | 102.8 Ų | 102.8 | 23% | 0.234 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 176.5 | -168.2 | -176.3 | 178.6 | 0 | 0 | 111.4 | K267 E577 L578 F584 K585 | K267-E581 VanDerWaalsContact CE-OE1 3.3Å; K267-E581 WeakPolarHBondContact CE-OE1 3.32Å; K267-E581 VanDerWaalsContact CE-OE2 3.27Å; K267-E581 WeakPolarHBondContact CE-OE2 3.13Å; K267-E581 IonicContact NZ-OE1 2.76Å; K267-E581 PolarHBondContact NZ-OE1 3.44Å; K267-E581 IonicContact NZ-OE2 2.7Å; E577-E581 PolarHBondContact O-N 2.97Å; L578-E581 PolarHBondContact O-N 3.31Å; E581-F584 PolarHBondContact O-N 2.68Å; E581-K585 HydrophobicContact CG-CD 4.3Å; E581-K585 WeakPolarHBondContact O-CG 3.4Å; E581-K585 PolarHBondContact O-N 3.25Å; E581-K585 WeakPolarHBondContact OE1-CE 3.31Å; E581-K585 IonicContact OE1-NZ 2.7Å; E581-K585 PolarHBondContact OE1-NZ 2.9Å; E581-K585 IonicContact OE2-NZ 3.73Å |
| 582 | L | 83.8 | Confident | 83.2 | Confident | 90 Ų | 90 | 105.1 Ų | 105.1 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -49.9 | 174.5 | 178.9 | 144.9 | 0 | 0 | 0 | 111.2 | L578 F584 K585 Y586 | L578-L582 WeakPolarHBondContact O-CB 3.49Å; L578-L582 PolarHBondContact O-N 2.91Å; L582-F584 VanDerWaalsContact C-N 3.29Å; L582-F584 PolarHBondContact O-N 3.41Å; L582-K585 PolarHBondContact O-N 2.81Å; L582-K585 VanDerWaalsContact O-N 3.16Å; L582-Y586 HydrophobicContact CD1-CE2 4.31Å; L582-Y586 HydrophobicContact CD2-CD2 3.63Å; L582-Y586 HydrophobicContact CD2-CE2 3.67Å; L582-Y586 HydrophobicContact CG-CD2 3.87Å; L582-Y586 HydrophobicContact CG-CE2 3.77Å; L582-Y586 VanDerWaalsContact O-CD2 3.32Å; L582-Y586 WeakPolarHBondContact O-CD2 3.1Å; L582-Y586 PolarHBondContact O-N 3.09Å |
| 583 | K | 89.9 | Confident | 83.4 | Confident | 140 Ų | 140 | 103.4 Ų | 103.4 | 61% | 0.609 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58 | -40 | 175.5 | -77 | 169.7 | 179.8 | 174.5 | 0 | 112.2 | T579 R580 Y586 L587 | T579-K583 HydrophobicContact CG2-CD 4.16Å; T579-K583 WeakPolarHBondContact O-CB 3.35Å; T579-K583 VanDerWaalsContact O-CG 3.24Å; T579-K583 WeakPolarHBondContact O-CG 3.48Å; T579-K583 PolarHBondContact O-N 2.91Å; R580-K583 PolarHBondContact O-N 3.41Å; K583-Y586 PolarHBondContact O-N 2.83Å; K583-L587 WeakPolarHBondContact O-CB 3.24Å; K583-L587 PolarHBondContact O-N 3.45Å |
| 584 | F | 86.3 | Confident | 84 | Confident | 123 Ų | 123 | 100.6 Ų | 100.6 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 175.5 | 179.1 | -112.4 | 0 | 0 | 0 | 112.5 | R580 E581 L582 L587 I588 | R580-F584 WeakPolarHBondContact O-CB 3.39Å; R580-F584 PolarHBondContact O-N 3.48Å; E581-F584 PolarHBondContact O-N 2.68Å; L582-F584 VanDerWaalsContact C-N 3.29Å; L582-F584 PolarHBondContact O-N 3.41Å; F584-L587 PolarHBondContact O-N 3.4Å; F584-I588 HydrophobicContact CD1-CD1 4.01Å; F584-I588 HydrophobicContact CE1-CD1 3.58Å; F584-I588 HydrophobicContact CE2-CD1 4.27Å; F584-I588 HydrophobicContact CZ-CD1 3.73Å; F584-I588 HydrophobicContact CZ-CG1 4.49Å; F584-I588 WeakPolarHBondContact O-CG1 3.44Å; F584-I588 PolarHBondContact O-N 2.7Å |
| 585 | K | 85.1 | Confident | 84.6 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 46% | 0.457 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.6 | -73.4 | 170.1 | -178.3 | 164.3 | 0 | 112.1 | E581 L582 I588 I589 | E581-K585 HydrophobicContact CG-CD 4.3Å; E581-K585 WeakPolarHBondContact O-CG 3.4Å; E581-K585 PolarHBondContact O-N 3.25Å; E581-K585 WeakPolarHBondContact OE1-CE 3.31Å; E581-K585 IonicContact OE1-NZ 2.7Å; E581-K585 PolarHBondContact OE1-NZ 2.9Å; E581-K585 IonicContact OE2-NZ 3.73Å; L582-K585 PolarHBondContact O-N 2.81Å; L582-K585 VanDerWaalsContact O-N 3.16Å; K585-I588 PolarHBondContact O-N 2.73Å; K585-I589 WeakPolarHBondContact O-CD1 3.48Å; K585-I589 VanDerWaalsContact O-CG1 3.25Å; K585-I589 WeakPolarHBondContact O-CG1 3.47Å; K585-I589 PolarHBondContact O-N 3.43Å |
| 586 | Y | 87.4 | Confident | 84.9 | Confident | 124 Ų | 124 | 100.7 Ų | 100.7 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 173.3 | -86.3 | -78.2 | 0 | 0 | 0 | 112 | L582 K583 I588 I589 E590 | L582-Y586 HydrophobicContact CD1-CE2 4.31Å; L582-Y586 HydrophobicContact CD2-CD2 3.63Å; L582-Y586 HydrophobicContact CD2-CE2 3.67Å; L582-Y586 HydrophobicContact CG-CD2 3.87Å; L582-Y586 HydrophobicContact CG-CE2 3.77Å; L582-Y586 VanDerWaalsContact O-CD2 3.32Å; L582-Y586 WeakPolarHBondContact O-CD2 3.1Å; L582-Y586 PolarHBondContact O-N 3.09Å; K583-Y586 PolarHBondContact O-N 2.83Å; Y586-I588 VanDerWaalsContact C-N 3.3Å; Y586-I588 PolarHBondContact O-N 3.02Å; Y586-I589 PolarHBondContact O-N 3.09Å; Y586-I589 VanDerWaalsContact O-N 3.13Å; Y586-E590 WeakPolarHBondContact O-CB 3.17Å; Y586-E590 WeakPolarHBondContact O-CG 3.5Å; Y586-E590 PolarHBondContact O-N 2.94Å |
| 587 | L | 89.4 | Confident | 84.8 | Confident | 101 Ų | 101 | 100 Ų | 100 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 176.5 | -169.2 | 73.1 | 0 | 0 | 0 | 112.2 | K583 F584 N591 | K583-L587 WeakPolarHBondContact O-CB 3.24Å; K583-L587 PolarHBondContact O-N 3.45Å; F584-L587 PolarHBondContact O-N 3.4Å; L587-N591 WeakPolarHBondContact CD1-ND2 3.4Å; L587-N591 WeakPolarHBondContact O-CB 3.48Å; L587-N591 PolarHBondContact O-N 3.44Å; L587-N591 VanDerWaalsContact O-N 3.12Å; L587-N591 PolarHBondContact O-ND2 3.38Å |
| 588 | I | 86.8 | Confident | 85 | Confident | 67 Ų | 67 | 98.7 Ų | 98.7 | 34% | 0.344 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 173.4 | -68.3 | 167 | 0 | 0 | 0 | 110.8 | F584 K585 Y586 E590 N591 F592 | F584-I588 HydrophobicContact CD1-CD1 4.01Å; F584-I588 HydrophobicContact CE1-CD1 3.58Å; F584-I588 HydrophobicContact CE2-CD1 4.27Å; F584-I588 HydrophobicContact CZ-CD1 3.73Å; F584-I588 HydrophobicContact CZ-CG1 4.49Å; F584-I588 WeakPolarHBondContact O-CG1 3.44Å; F584-I588 PolarHBondContact O-N 2.7Å; K585-I588 PolarHBondContact O-N 2.73Å; Y586-I588 VanDerWaalsContact C-N 3.3Å; Y586-I588 PolarHBondContact O-N 3.02Å; I588-E590 VanDerWaalsContact C-N 3.25Å; I588-E590 PolarHBondContact O-N 2.85Å; I588-N591 PolarHBondContact O-N 3.43Å; I588-F592 HydrophobicContact CG2-CD2 4.45Å; I588-F592 WeakPolarHBondContact O-CB 3.15Å; I588-F592 PolarHBondContact O-N 2.99Å |
| 589 | I | 83.9 | Confident | 85.4 | Confident | 54 Ų | 54 | 98 Ų | 98 | 28% | 0.277 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.5 | -37 | -179.4 | -68.3 | 162.5 | 0 | 0 | 0 | 111.3 | K585 Y586 I593 K598 | K585-I589 WeakPolarHBondContact O-CD1 3.48Å; K585-I589 VanDerWaalsContact O-CG1 3.25Å; K585-I589 WeakPolarHBondContact O-CG1 3.47Å; K585-I589 PolarHBondContact O-N 3.43Å; Y586-I589 PolarHBondContact O-N 3.09Å; Y586-I589 VanDerWaalsContact O-N 3.13Å; I589-I593 HydrophobicContact CB-CD1 4.34Å; I589-I593 HydrophobicContact CG1-CD1 3.99Å; I589-I593 HydrophobicContact CG2-CD1 4.41Å; I589-I593 WeakPolarHBondContact O-CB 3.41Å; I589-I593 PolarHBondContact O-N 3.02Å; I589-K598 HydrophobicContact CG2-CD 3.89Å; I589-K598 HydrophobicContact CG2-CG 4.38Å |
| 590 | E | 85.9 | Confident | 85.3 | Confident | 122 Ų | 122 | 101 Ų | 101 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -82.3 | -29 | -176.4 | -71.4 | 173.9 | 174.2 | 0 | 0 | 114 | Y586 I588 | Y586-E590 WeakPolarHBondContact O-CB 3.17Å; Y586-E590 WeakPolarHBondContact O-CG 3.5Å; Y586-E590 PolarHBondContact O-N 2.94Å; I588-E590 VanDerWaalsContact C-N 3.25Å; I588-E590 PolarHBondContact O-N 2.85Å |
| 591 | N | 88.4 | Confident | 85.2 | Confident | 110 Ų | 110 | 95 Ų | 95 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -97.3 | -23.2 | -179.2 | -69.3 | -88.1 | 0 | 0 | 0 | 114.1 | L587 I588 | L587-N591 WeakPolarHBondContact CD1-ND2 3.4Å; L587-N591 WeakPolarHBondContact O-CB 3.48Å; L587-N591 PolarHBondContact O-N 3.44Å; L587-N591 VanDerWaalsContact O-N 3.12Å; L587-N591 PolarHBondContact O-ND2 3.38Å; I588-N591 PolarHBondContact O-N 3.43Å |
| 592 | F | 89.3 | Confident | 85.3 | Confident | 163 Ų | 163 | 97.8 Ų | 97.8 | 72% | 0.715 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -121.7 | -10.3 | -171.5 | -63.3 | -91.2 | 0 | 0 | 0 | 115.4 | I588 | I588-F592 HydrophobicContact CG2-CD2 4.45Å; I588-F592 WeakPolarHBondContact O-CB 3.15Å; I588-F592 PolarHBondContact O-N 2.99Å |
| 593 | I | 83.6 | Confident | 85.3 | Confident | 62 Ų | 62 | 99.8 Ų | 99.8 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -110.9 | 117.8 | 178.3 | -53.3 | -176.8 | 0 | 0 | 0 | 110 | I589 E597 K598 | I589-I593 HydrophobicContact CB-CD1 4.34Å; I589-I593 HydrophobicContact CG1-CD1 3.99Å; I589-I593 HydrophobicContact CG2-CD1 4.41Å; I589-I593 WeakPolarHBondContact O-CB 3.41Å; I589-I593 PolarHBondContact O-N 3.02Å; I593-E597 HydrophobicContact CG2-CB 4.33Å; I593-K598 HydrophobicContact CG2-CB 4.35Å |
| 594 | P | 90.4 | Very high | 85 | Confident | 69 Ų | 69 | 96.9 Ų | 96.9 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | trans | -55.7 | 140.3 | 175.9 | -26.7 | 35.3 | 0 | 0 | 0 | 112.5 | E596 E597 K598 | P594-E596 WeakPolarHBondContact CB-OE2 3.32Å; P594-E596 PolarHBondContact O-N 2.89Å; P594-E596 VanDerWaalsContact O-N 3.15Å; P594-E597 PolarHBondContact O-N 2.9Å; P594-K598 PolarHBondContact O-N 3.29Å | ||
| 595 | P | 83.6 | Confident | 85 | Confident | 80 Ų | 80 | 93.1 Ų | 93.1 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.6 | -27.2 | -175 | 24.6 | -33.2 | 0 | 0 | 0 | 112.8 | N599 | P595-N599 WeakPolarHBondContact O-CB 3.44Å; P595-N599 PolarHBondContact O-N 2.81Å; P595-N599 PolarHBondContact O-ND2 3.25Å |
| 596 | E | 84.8 | Confident | 84.9 | Confident | 111 Ų | 111 | 93 Ų | 93 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.1 | -56.6 | 73.1 | -160.4 | 0 | 0 | 111.7 | P594 K600 | P594-E596 WeakPolarHBondContact CB-OE2 3.32Å; P594-E596 PolarHBondContact O-N 2.89Å; P594-E596 VanDerWaalsContact O-N 3.15Å; E596-K600 WeakPolarHBondContact O-CD 3.36Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 2.94Å |
| 597 | E | 81.8 | Confident | 84.6 | Confident | 87 Ų | 87 | 91.3 Ų | 91.3 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.3 | -39.2 | 177 | -62.2 | -52.2 | 140.6 | 0 | 0 | 111.3 | I593 P594 N599 K600 I601 | I593-E597 HydrophobicContact CG2-CB 4.33Å; P594-E597 PolarHBondContact O-N 2.9Å; E597-N599 VanDerWaalsContact C-N 3.29Å; E597-N599 PolarHBondContact O-N 3.27Å; E597-K600 PolarHBondContact O-N 2.77Å; E597-K600 IonicContact OE1-NZ 2.62Å; E597-K600 PolarHBondContact OE1-NZ 2.82Å; E597-K600 VanDerWaalsContact OE2-CD 3.31Å; E597-K600 WeakPolarHBondContact OE2-CD 3.45Å; E597-K600 IonicContact OE2-NZ 3.75Å; E597-I601 WeakPolarHBondContact O-CB 3.25Å; E597-I601 VanDerWaalsContact O-CG1 3.31Å; E597-I601 WeakPolarHBondContact O-CG1 3.39Å; E597-I601 PolarHBondContact O-N 2.81Å |
| 598 | K | 81.1 | Confident | 84 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 28% | 0.283 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -53.7 | -47.4 | 170.5 | -173 | 176.6 | -178.8 | 175.3 | 0 | 110.7 | I589 I593 P594 I601 M602 | I589-K598 HydrophobicContact CG2-CD 3.89Å; I589-K598 HydrophobicContact CG2-CG 4.38Å; I593-K598 HydrophobicContact CG2-CB 4.35Å; P594-K598 PolarHBondContact O-N 3.29Å; K598-I601 PolarHBondContact O-N 3.22Å; K598-M602 VanDerWaalsContact O-CG 3.31Å; K598-M602 WeakPolarHBondContact O-CG 3.45Å; K598-M602 PolarHBondContact O-N 2.97Å |
| 599 | N | 84 | Confident | 83.1 | Confident | 93 Ų | 93 | 90 Ų | 90 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 178.4 | -70.3 | -20.8 | 0 | 0 | 0 | 113 | P595 E597 I601 M602 N603 | P595-N599 WeakPolarHBondContact O-CB 3.44Å; P595-N599 PolarHBondContact O-N 2.81Å; P595-N599 PolarHBondContact O-ND2 3.25Å; E597-N599 VanDerWaalsContact C-N 3.29Å; E597-N599 PolarHBondContact O-N 3.27Å; N599-I601 VanDerWaalsContact C-N 3.3Å; N599-I601 PolarHBondContact O-N 3.36Å; N599-M602 PolarHBondContact O-N 2.94Å; N599-N603 VanDerWaalsContact O-CB 3.29Å; N599-N603 WeakPolarHBondContact O-CB 3.42Å; N599-N603 PolarHBondContact O-N 3.02Å; N599-N603 PolarHBondContact O-ND2 2.81Å |
| 600 | K | 82.6 | Confident | 82.1 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 48% | 0.478 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 173.3 | -71.9 | 163 | -168.2 | 174.2 | 0 | 112.8 | E596 E597 R604 | E596-K600 WeakPolarHBondContact O-CD 3.36Å; E596-K600 WeakPolarHBondContact O-CG 3.39Å; E596-K600 PolarHBondContact O-N 2.94Å; E597-K600 PolarHBondContact O-N 2.77Å; E597-K600 IonicContact OE1-NZ 2.62Å; E597-K600 PolarHBondContact OE1-NZ 2.82Å; E597-K600 VanDerWaalsContact OE2-CD 3.31Å; E597-K600 WeakPolarHBondContact OE2-CD 3.45Å; E597-K600 IonicContact OE2-NZ 3.75Å; K600-R604 WeakPolarHBondContact O-CG 3.47Å |
| 601 | I | 81.8 | Confident | 80.9 | Confident | 69 Ų | 69 | 91 Ų | 91 | 35% | 0.354 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.8 | -54.4 | 175.1 | -74.7 | 165.6 | 0 | 0 | 0 | 109.8 | E597 K598 N599 N603 R604 L605 F616 | E597-I601 WeakPolarHBondContact O-CB 3.25Å; E597-I601 VanDerWaalsContact O-CG1 3.31Å; E597-I601 WeakPolarHBondContact O-CG1 3.39Å; E597-I601 PolarHBondContact O-N 2.81Å; K598-I601 PolarHBondContact O-N 3.22Å; N599-I601 VanDerWaalsContact C-N 3.3Å; N599-I601 PolarHBondContact O-N 3.36Å; I601-N603 PolarHBondContact O-N 3Å; I601-R604 PolarHBondContact O-N 2.98Å; I601-L605 HydrophobicContact CG2-CD1 4.12Å; I601-L605 WeakPolarHBondContact O-CD1 3.34Å; I601-L605 PolarHBondContact O-N 2.8Å; I601-F616 HydrophobicContact CG2-CE1 3.99Å; I601-F616 HydrophobicContact CG2-CZ 4.08Å |
| 602 | M | 81.4 | Confident | 79.8 | Confident | 109 Ų | 109 | 91.9 Ų | 91.9 | 54% | 0.537 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | -179.4 | -67.9 | -58.5 | -64 | 0 | 0 | 112.5 | K598 N599 R604 L605 | K598-M602 VanDerWaalsContact O-CG 3.31Å; K598-M602 WeakPolarHBondContact O-CG 3.45Å; K598-M602 PolarHBondContact O-N 2.97Å; N599-M602 PolarHBondContact O-N 2.94Å; M602-R604 PolarHBondContact O-N 3.12Å; M602-R604 VanDerWaalsContact O-N 3.1Å; M602-L605 PolarHBondContact O-N 3.17Å; M602-L605 HydrophobicContact SD-CD2 4.48Å |
| 603 | N | 83.6 | Confident | 78.9 | Confident | 131 Ų | 131 | 89.7 Ų | 89.7 | 70% | 0.701 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -8.8 | 177.6 | -69.8 | -15.1 | 0 | 0 | 0 | 114.2 | N599 I601 | N599-N603 VanDerWaalsContact O-CB 3.29Å; N599-N603 WeakPolarHBondContact O-CB 3.42Å; N599-N603 PolarHBondContact O-N 3.02Å; N599-N603 PolarHBondContact O-ND2 2.81Å; I601-N603 PolarHBondContact O-N 3Å |
| 604 | R | 83.6 | Confident | 78.7 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 30% | 0.302 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -10.2 | 176.1 | -72.7 | -179.5 | 60.9 | -135.1 | -8.8 | 113.7 | K600 I601 M602 F616 K617 | K600-R604 WeakPolarHBondContact O-CG 3.47Å; I601-R604 PolarHBondContact O-N 2.98Å; M602-R604 PolarHBondContact O-N 3.12Å; M602-R604 VanDerWaalsContact O-N 3.1Å; R604-F616 HydrophobicContact CB-CD1 4.04Å; R604-F616 WeakPolarHBondContact O-CA 3.45Å; R604-K617 PolarHBondContact NE-O 3.48Å; R604-K617 PolarHBondContact NH2-O 2.88Å; R604-K617 PolarHBondContact O-N 2.84Å |
| 605 | L | 86 | Confident | 78.2 | Confident | 43 Ų | 43 | 94.5 Ų | 94.5 | 23% | 0.225 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132.3 | 170.7 | -104.6 | 65.6 | 0 | 0 | 0 | 109.6 | I601 M602 W614 F616 | I601-L605 HydrophobicContact CG2-CD1 4.12Å; I601-L605 WeakPolarHBondContact O-CD1 3.34Å; I601-L605 PolarHBondContact O-N 2.8Å; M602-L605 PolarHBondContact O-N 3.17Å; M602-L605 HydrophobicContact SD-CD2 4.48Å; L605-W614 HydrophobicContact CB-CE3 3.71Å; L605-W614 HydrophobicContact CB-CZ3 4.01Å; L605-W614 HydrophobicContact CD2-CB 4.25Å; L605-W614 HydrophobicContact CD2-CD2 3.97Å; L605-W614 HydrophobicContact CD2-CE3 3.65Å; L605-W614 HydrophobicContact CD2-CG 4.26Å; L605-W614 HydrophobicContact CD2-CZ3 4.26Å; L605-W614 HydrophobicContact CG-CB 4.33Å; L605-W614 HydrophobicContact CG-CD2 4.44Å; L605-W614 HydrophobicContact CG-CE3 3.81Å; L605-F616 HydrophobicContact CD1-CD1 3.92Å; L605-F616 HydrophobicContact CD1-CE1 3.39Å; L605-F616 HydrophobicContact CD1-CE2 4.28Å; L605-F616 HydrophobicContact CD1-CZ 3.6Å |
| 606 | M | 82.8 | Confident | 78.1 | Confident | 102 Ų | 102 | 96 Ų | 96 | 50% | 0.502 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.2 | 154.7 | -66.6 | -161.9 | -54.5 | 0 | 0 | 108.2 | W614 K615 K617 | M606-W614 CarbonylContact O-C 3.48Å; M606-W614 WeakPolarHBondContact O-CA 3.49Å; M606-K615 PolarHBondContact N-O 3.27Å; M606-K615 PolarHBondContact O-N 3.31Å; M606-K617 HydrophobicContact CE-CG 4.23Å; M606-K617 HydrophobicContact CG-CD 4.31Å; M606-K617 VanDerWaalsContact CG-CE 3.41Å; M606-K617 HydrophobicContact CG-CG 4Å; M606-K617 HydrophobicContact SD-CD 4.33Å; M606-K617 WeakPolarHBondContact SD-CE 3.41Å; M606-K617 HydrophobicContact SD-CG 4.21Å |
| 607 | F | 82.3 | Confident | 77.6 | Confident | 89 Ų | 89 | 95.4 Ų | 95.4 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129 | 164.3 | -176.8 | -107.2 | 0 | 0 | 0 | 108.4 | P609 D612 W614 | F607-P609 HydrophobicContact CE1-CB 4.29Å; F607-P609 WeakPolarHBondContact O-CD 3.31Å; F607-D612 WeakPolarHBondContact CZ-OD1 3.35Å; F607-W614 HydrophobicContact CB-CD2 4.11Å; F607-W614 HydrophobicContact CB-CE3 3.93Å; F607-W614 HydrophobicContact CB-CH2 3.98Å; F607-W614 HydrophobicContact CB-CZ2 4.1Å; F607-W614 HydrophobicContact CB-CZ3 3.88Å; F607-W614 HydrophobicContact CD2-CD2 4.13Å; F607-W614 AromaticContact CD2-CE2 3.85Å; F607-W614 HydrophobicContact CD2-CG 4.32Å; F607-W614 HydrophobicContact CD2-CZ2 4.32Å; F607-W614 AromaticContact CD2-NE1 3.76Å |
| 608 | D | 76.4 | Confident | 76.8 | Confident | 41 Ų | 41 | 95.9 Ų | 95.9 | 22% | 0.219 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.1 | 175.6 | -174.4 | -21.5 | 0 | 0 | 0 | 108.9 | E610 D612 E613 K615 | D608-E610 PolarHBondContact O-N 3.34Å; D608-E610 PolarHBondContact OD1-N 3.16Å; D608-D612 WeakPolarHBondContact O-CA 3.4Å; D608-D612 PolarHBondContact O-N 3.19Å; D608-E613 WeakPolarHBondContact CB-O 3.25Å; D608-E613 PolarHBondContact N-O 3.1Å; D608-E613 PolarHBondContact O-N 3.1Å; D608-K615 HydrophobicContact CB-CD 3.91Å; D608-K615 HydrophobicContact CB-CG 4.24Å; D608-K615 VanDerWaalsContact OD2-CD 3.31Å; D608-K615 WeakPolarHBondContact OD2-CD 3.45Å; D608-K615 VanDerWaalsContact OD2-CE 3.24Å; D608-K615 WeakPolarHBondContact OD2-CE 3.43Å; D608-K615 IonicContact OD2-NZ 2.7Å; D608-K615 PolarHBondContact OD2-NZ 3.03Å |
| 609 | P | 68.8 | Low | 76 | Confident | 99 Ų | 99 | 98.7 Ų | 98.7 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -4.2 | -175.8 | 34 | -37.3 | 0 | 0 | 0 | 113.8 | F607 | F607-P609 HydrophobicContact CE1-CB 4.29Å; F607-P609 WeakPolarHBondContact O-CD 3.31Å |
| 610 | E | 62.4 | Low | 74.7 | Confident | 158 Ų | 158 | 97.8 Ų | 97.8 | 74% | 0.738 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -33.7 | 175.8 | -60.2 | -168.8 | 169.3 | 0 | 0 | 111.8 | D608 | D608-E610 PolarHBondContact O-N 3.34Å; D608-E610 PolarHBondContact OD1-N 3.16Å |
| 611 | E | 61 | Low | 73.3 | Confident | 39 Ų | 39 | 97.1 Ų | 97.1 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -0.8 | 177.6 | -74.6 | -60.1 | 131.9 | 0 | 0 | 115.3 | K300 R303 E613 | K300-E611 IonicContact NZ-OE2 2.58Å; K300-E611 PolarHBondContact NZ-OE2 2.97Å; R303-E611 IonicContact NH1-OE1 3.72Å; E611-E613 VanDerWaalsContact C-N 3.26Å; E611-E613 PolarHBondContact O-N 2.91Å |
| 612 | D | 65.6 | Low | 71.8 | Confident | 130 Ų | 130 | 101.3 Ų | 101.3 | 70% | 0.695 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 22.1 | -179.2 | -154.3 | 51.1 | 0 | 0 | 0 | 114.1 | F607 D608 | F607-D612 WeakPolarHBondContact CZ-OD1 3.35Å; D608-D612 WeakPolarHBondContact O-CA 3.4Å; D608-D612 PolarHBondContact O-N 3.19Å |
| 613 | E | 69.4 | Low | 70.3 | Confident | 116 Ų | 116 | 104.9 Ų | 104.9 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.1 | -171.6 | -75.1 | -164.9 | 159.4 | 0 | 0 | 114.7 | D608 E611 K615 | D608-E613 WeakPolarHBondContact CB-O 3.25Å; D608-E613 PolarHBondContact N-O 3.1Å; D608-E613 PolarHBondContact O-N 3.1Å; E611-E613 VanDerWaalsContact C-N 3.26Å; E611-E613 PolarHBondContact O-N 2.91Å; E613-K615 HydrophobicContact CB-CG 4.49Å; E613-K615 PolarHBondContact O-N 2.97Å |
| 614 | W | 78.9 | Confident | 68.3 | Low | 160 Ų | 160 | 101.6 Ų | 101.6 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 98.2 | 172.2 | -74.1 | 93.9 | 0 | 0 | 0 | 111.8 | L605 M606 F607 | L605-W614 HydrophobicContact CB-CE3 3.71Å; L605-W614 HydrophobicContact CB-CZ3 4.01Å; L605-W614 HydrophobicContact CD2-CB 4.25Å; L605-W614 HydrophobicContact CD2-CD2 3.97Å; L605-W614 HydrophobicContact CD2-CE3 3.65Å; L605-W614 HydrophobicContact CD2-CG 4.26Å; L605-W614 HydrophobicContact CD2-CZ3 4.26Å; L605-W614 HydrophobicContact CG-CB 4.33Å; L605-W614 HydrophobicContact CG-CD2 4.44Å; L605-W614 HydrophobicContact CG-CE3 3.81Å; M606-W614 CarbonylContact O-C 3.48Å; M606-W614 WeakPolarHBondContact O-CA 3.49Å; F607-W614 HydrophobicContact CB-CD2 4.11Å; F607-W614 HydrophobicContact CB-CE3 3.93Å; F607-W614 HydrophobicContact CB-CH2 3.98Å; F607-W614 HydrophobicContact CB-CZ2 4.1Å; F607-W614 HydrophobicContact CB-CZ3 3.88Å; F607-W614 HydrophobicContact CD2-CD2 4.13Å; F607-W614 AromaticContact CD2-CE2 3.85Å; F607-W614 HydrophobicContact CD2-CG 4.32Å; F607-W614 HydrophobicContact CD2-CZ2 4.32Å; F607-W614 AromaticContact CD2-NE1 3.76Å |
| 615 | K | 80.6 | Confident | 66.6 | Low | 73 Ų | 73 | 108 Ų | 108 | 32% | 0.317 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 142.9 | -179.4 | -61.1 | -177.3 | -173.2 | 170.2 | 0 | 111.4 | M606 D608 E613 | M606-K615 PolarHBondContact N-O 3.27Å; M606-K615 PolarHBondContact O-N 3.31Å; D608-K615 HydrophobicContact CB-CD 3.91Å; D608-K615 HydrophobicContact CB-CG 4.24Å; D608-K615 VanDerWaalsContact OD2-CD 3.31Å; D608-K615 WeakPolarHBondContact OD2-CD 3.45Å; D608-K615 VanDerWaalsContact OD2-CE 3.24Å; D608-K615 WeakPolarHBondContact OD2-CE 3.43Å; D608-K615 IonicContact OD2-NZ 2.7Å; D608-K615 PolarHBondContact OD2-NZ 3.03Å; E613-K615 HydrophobicContact CB-CG 4.49Å; E613-K615 PolarHBondContact O-N 2.97Å |
| 616 | F | 80.4 | Confident | 64.6 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.5 | 177.4 | -82.4 | -80.1 | 0 | 0 | 0 | 112 | I601 R604 L605 P618 | I601-F616 HydrophobicContact CG2-CE1 3.99Å; I601-F616 HydrophobicContact CG2-CZ 4.08Å; R604-F616 HydrophobicContact CB-CD1 4.04Å; R604-F616 WeakPolarHBondContact O-CA 3.45Å; L605-F616 HydrophobicContact CD1-CD1 3.92Å; L605-F616 HydrophobicContact CD1-CE1 3.39Å; L605-F616 HydrophobicContact CD1-CE2 4.28Å; L605-F616 HydrophobicContact CD1-CZ 3.6Å; F616-P618 WeakPolarHBondContact O-CD 3.31Å |
| 617 | K | 75.8 | Confident | 63 | Low | 100 Ų | 100 | 111 Ų | 111 | 44% | 0.435 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 128.3 | 166.8 | -73.6 | -174.2 | 177.3 | 178.3 | 0 | 110.9 | R604 M606 | R604-K617 PolarHBondContact NE-O 3.48Å; R604-K617 PolarHBondContact NH2-O 2.88Å; R604-K617 PolarHBondContact O-N 2.84Å; M606-K617 HydrophobicContact CE-CG 4.23Å; M606-K617 HydrophobicContact CG-CD 4.31Å; M606-K617 VanDerWaalsContact CG-CE 3.41Å; M606-K617 HydrophobicContact CG-CG 4Å; M606-K617 HydrophobicContact SD-CD 4.33Å; M606-K617 WeakPolarHBondContact SD-CE 3.41Å; M606-K617 HydrophobicContact SD-CG 4.21Å |
| 618 | P | 65.2 | Low | 61.3 | Low | 97 Ų | 97 | 114.8 Ų | 114.8 | 63% | 0.63 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 152.7 | 169.9 | -27.9 | 36.5 | 0 | 0 | 0 | 112.9 | F616 V620 | F616-P618 WeakPolarHBondContact O-CD 3.31Å; P618-V620 PolarHBondContact O-N 3.35Å |
| 619 | L | 62.9 | Low | 59.8 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -83.6 | 6.9 | 179.7 | -69.2 | 171.2 | 0 | 0 | 0 | 113.8 | K630 | L619-K630 PolarHBondContact O-NZ 3.13Å; L619-K630 VanDerWaalsContact O-NZ 3.07Å |
| 620 | V | 57.9 | Low | 58.9 | Low | 74 Ų | 74 | 124.2 Ų | 124.2 | 45% | 0.448 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -148.3 | 131.7 | -179.7 | -173.4 | 0 | 0 | 0 | 0 | 107.1 | P618 | P618-V620 PolarHBondContact O-N 3.35Š|
| 621 | P | 51.9 | Low | 58.6 | Low | 96 Ų | 96 | 126.4 Ų | 126.4 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | trans | -73.7 | 143.6 | 171.8 | -14.6 | 30.3 | 0 | 0 | 0 | 112.1 | E623 S624 | P621-E623 PolarHBondContact O-N 3.3Å; P621-S624 PolarHBondContact O-OG 3.47Å | ||
| 622 | D | 51.1 | Low | 58.3 | Low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.5 | -177.6 | -75.2 | -55.4 | 0 | 0 | 0 | 114.8 | S624 | D622-S624 PolarHBondContact O-N 2.97Š|
| 623 | E | 48.8 | Very low | 57.9 | Low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -19.5 | -178.3 | -61.7 | -169.9 | 137.9 | 0 | 0 | 113.7 | P621 K625 | P621-E623 PolarHBondContact O-N 3.3Å; E623-K625 PolarHBondContact O-N 3.17Å |
| 624 | S | 43.3 | Very low | 57.2 | Low | 63 Ų | 63 | 131 Ų | 131 | 44% | 0.441 | 67% | 0.666 | S | S | . | * | trans | -77.9 | 85.2 | -179.6 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | P621 D622 S626 | P621-S624 PolarHBondContact O-OG 3.47Å; D622-S624 PolarHBondContact O-N 2.97Å; S624-S626 PolarHBondContact O-N 2.94Å | ||
| 625 | K | 46.2 | Very low | 56.3 | Low | 215 Ų | 215 | 124.5 Ų | 124.5 | 94% | 0.935 | 65% | 0.645 | S | S | * | * | trans | -66.6 | 50 | 169.6 | -69.4 | -174.6 | 177.2 | 177.7 | 0 | 113.7 | E623 | E623-K625 PolarHBondContact O-N 3.17Š| ||
| 626 | S | 44.3 | Very low | 55.2 | Low | 75 Ų | 75 | 126.5 Ų | 126.5 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -141.8 | 124 | 169.8 | 71 | 0 | 0 | 0 | 0 | 110.1 | S624 Q628 | S624-S626 PolarHBondContact O-N 2.94Å; S626-Q628 PolarHBondContact O-N 2.99Å |
| 627 | S | 49.2 | Very low | 54.2 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 92% | 0.916 | 68% | 0.678 | S | S | * | * | trans | -75.8 | 40.1 | -175.7 | -48.9 | 0 | 0 | 0 | 0 | 113.5 | M629 | S627-M629 VanDerWaalsContact C-N 3.25Å; S627-M629 PolarHBondContact O-N 3.36Å | ||
| 628 | Q | 46.6 | Very low | 53.6 | Low | 169 Ų | 169 | 123.7 Ų | 123.7 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | trans | -75.3 | 81.1 | 169.3 | -68.6 | -158.1 | 14.2 | 0 | 0 | 109.9 | S626 K630 | S626-Q628 PolarHBondContact O-N 2.99Å; Q628-K630 PolarHBondContact O-N 3.4Å | ||
| 629 | M | 46 | Very low | 53.5 | Low | 176 Ų | 176 | 124.2 Ų | 124.2 | 87% | 0.867 | 68% | 0.679 | S | S | * | * | trans | -49.4 | 114.8 | 157.6 | -65 | -178.3 | 76.6 | 0 | 0 | 107.9 | S627 K631 | S627-M629 VanDerWaalsContact C-N 3.25Å; S627-M629 PolarHBondContact O-N 3.36Å; M629-K631 PolarHBondContact O-N 2.93Å | ||
| 630 | K | 50.2 | Low | 53.3 | Low | 163 Ų | 163 | 127.8 Ų | 127.8 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | trans | -49.8 | 115.4 | 177.3 | -71.1 | 175 | 179.5 | 168.6 | 0 | 107.9 | L619 Q628 R632 | L619-K630 PolarHBondContact O-NZ 3.13Å; L619-K630 VanDerWaalsContact O-NZ 3.07Å; Q628-K630 PolarHBondContact O-N 3.4Å; K630-R632 PolarHBondContact O-N 2.89Å; K630-R632 VanDerWaalsContact O-N 3.12Å | ||
| 631 | K | 56.1 | Low | 53.4 | Low | 203 Ų | 203 | 129.8 Ų | 129.8 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -51 | 124 | -179.4 | -77.3 | 179.6 | 178.7 | 172.5 | 0 | 107.7 | M629 | M629-K631 PolarHBondContact O-N 2.93Š|
| 632 | R | 53.4 | Low | 53.9 | Low | 202 Ų | 202 | 130 Ų | 130 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 131.9 | 179.1 | -69.7 | -171.8 | -179.3 | -157.5 | 0.3 | 108.3 | K630 A634 | K630-R632 PolarHBondContact O-N 2.89Å; K630-R632 VanDerWaalsContact O-N 3.12Å; R632-A634 PolarHBondContact O-N 3.07Å |
| 633 | P | 56.8 | Low | 54.4 | Low | 112 Ų | 112 | 125 Ų | 125 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 131.6 | -178.6 | 23.4 | -33.2 | 0 | 0 | 0 | 109.1 | ||
| 634 | A | 55.5 | Low | 55.2 | Low | 67 Ų | 67 | 118.1 Ų | 118.1 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 150.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R632 Y639 | R632-A634 PolarHBondContact O-N 3.07Å; A634-Y639 WeakPolarHBondContact CA-O 3.29Å |
| 635 | S | 59.3 | Low | 56.2 | Low | 24 Ų | 24 | 121.9 Ų | 121.9 | 17% | 0.168 | 65% | 0.646 | C | S | . | * | P | Polyproline II helix | trans | -54.6 | 149.7 | 163.5 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | V637 G638 Y639 R641 | S635-V637 PolarHBondContact O-N 3.12Å; S635-V637 PolarHBondContact OG-N 3.04Å; S635-G638 PolarHBondContact O-N 3.27Å; S635-Y639 PolarHBondContact N-O 3.22Å; S635-R641 WeakPolarHBondContact CB-O 3.43Å |
| 636 | A | 57.8 | Low | 57 | Low | 115 Ų | 115 | 119.9 Ų | 119.9 | 95% | 0.95 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -15.6 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 637 | V | 60.5 | Low | 57.9 | Low | 87 Ų | 87 | 116.7 Ų | 116.7 | 53% | 0.527 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.9 | 22.9 | 175.2 | -146.9 | 0 | 0 | 0 | 0 | 112.7 | S635 Y639 | S635-V637 PolarHBondContact O-N 3.12Å; S635-V637 PolarHBondContact OG-N 3.04Å; V637-Y639 VanDerWaalsContact C-N 3.32Å; V637-Y639 HydrophobicContact CB-CD2 4.17Å; V637-Y639 HydrophobicContact CB-CE2 4.32Å; V637-Y639 HydrophobicContact CG1-CE2 4.39Å; V637-Y639 VanDerWaalsContact O-CD2 3.29Å; V637-Y639 WeakPolarHBondContact O-CD2 3.45Å; V637-Y639 PolarHBondContact O-N 3.21Å |
| 638 | G | 62 | Low | 58.7 | Low | 64 Ų | 64 | 114.8 Ų | 114.8 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 81 | -12.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | S635 | S635-G638 PolarHBondContact O-N 3.27Š|
| 639 | Y | 64.7 | Low | 59.7 | Low | 109 Ų | 109 | 110.1 Ų | 110.1 | 43% | 0.427 | 57% | 0.567 | S | S | . | * | trans | -70.5 | 149.9 | -179.4 | -65.1 | -82.3 | 0 | 0 | 0 | 113.7 | A634 S635 V637 R641 I643 | A634-Y639 WeakPolarHBondContact CA-O 3.29Å; S635-Y639 PolarHBondContact N-O 3.22Å; V637-Y639 VanDerWaalsContact C-N 3.32Å; V637-Y639 HydrophobicContact CB-CD2 4.17Å; V637-Y639 HydrophobicContact CB-CE2 4.32Å; V637-Y639 HydrophobicContact CG1-CE2 4.39Å; V637-Y639 VanDerWaalsContact O-CD2 3.29Å; V637-Y639 WeakPolarHBondContact O-CD2 3.45Å; V637-Y639 PolarHBondContact O-N 3.21Å; Y639-R641 WeakPolarHBondContact CB-O 3.44Å; Y639-R641 PolarHBondContact O-N 3.16Å; Y639-I643 HydrophobicContact CD1-CD1 3.84Å; Y639-I643 HydrophobicContact CD2-CD1 4.44Å; Y639-I643 HydrophobicContact CG-CD1 3.81Å | ||
| 640 | K | 58 | Low | 60.7 | Low | 198 Ų | 198 | 102.5 Ų | 102.5 | 86% | 0.861 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -63.6 | -6.8 | 177.6 | -70.9 | -175.2 | 177.6 | 178.4 | 0 | 115.4 | ||
| 641 | R | 60.8 | Low | 61.4 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -145.6 | 155.5 | 171.5 | -65.3 | -174.8 | -179.3 | -166.2 | -0.6 | 108.1 | S635 Y639 E662 | S635-R641 WeakPolarHBondContact CB-O 3.43Å; Y639-R641 WeakPolarHBondContact CB-O 3.44Å; Y639-R641 PolarHBondContact O-N 3.16Å; R641-E662 IonicContact CZ-OE1 3.86Å; R641-E662 VanDerWaalsContact NH1-CD 3.34Å; R641-E662 IonicContact NH1-OE1 2.81Å; R641-E662 PolarHBondContact NH1-OE1 2.93Å; R641-E662 IonicContact NH1-OE2 3.02Å; R641-E662 PolarHBondContact NH1-OE2 2.84Å |
| 642 | P | 60.4 | Low | 62 | Low | 101 Ų | 101 | 93.3 Ų | 93.3 | 66% | 0.656 | 51% | 0.508 | S | S | * | . | trans | -57.4 | 137.2 | 157.7 | -19.3 | 32.9 | 0 | 0 | 0 | 110.1 | ||||
| 643 | I | 63.3 | Low | 62.8 | Low | 50 Ų | 50 | 90.3 Ų | 90.3 | 26% | 0.256 | 50% | 0.504 | S | S | . | . | trans | -131.7 | 128.6 | -178.6 | -58.9 | 179.2 | 0 | 0 | 0 | 108.3 | Y639 A647 R648 L651 | Y639-I643 HydrophobicContact CD1-CD1 3.84Å; Y639-I643 HydrophobicContact CD2-CD1 4.44Å; Y639-I643 HydrophobicContact CG-CD1 3.81Å; I643-A647 HydrophobicContact CG2-CB 3.46Å; I643-A647 VanDerWaalsContact CG2-CB 3.46Å; I643-R648 HydrophobicContact CB-CG 4.22Å; I643-R648 HydrophobicContact CG2-CG 3.83Å; I643-L651 HydrophobicContact CD1-CD1 4.31Å | ||
| 644 | S | 64.6 | Low | 62.9 | Low | 41 Ų | 41 | 88.2 Ų | 88.2 | 29% | 0.287 | 50% | 0.503 | S | S | . | . | trans | -60 | 154.5 | 178.6 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | Y646 A647 R648 A661 | S644-Y646 PolarHBondContact O-N 2.87Å; S644-A647 PolarHBondContact O-N 3.41Å; S644-A647 VanDerWaalsContact O-N 3.13Å; S644-A647 VanDerWaalsContact OG-CB 3.25Å; S644-A647 WeakPolarHBondContact OG-CB 3.22Å; S644-A647 PolarHBondContact OG-N 3.31Å; S644-R648 PolarHBondContact O-N 3.01Å; S644-A661 PolarHBondContact OG-O 2.84Å | ||
| 645 | Q | 63.7 | Low | 63.1 | Low | 141 Ų | 141 | 88.7 Ų | 88.7 | 66% | 0.659 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -36.3 | 179.5 | -172.6 | 158.4 | -25 | 0 | 0 | 112 | R648 V649 | Q645-R648 PolarHBondContact O-N 3.44Å; Q645-V649 WeakPolarHBondContact O-CG2 3.31Å; Q645-V649 PolarHBondContact O-N 3.37Å |
| 646 | Y | 64.1 | Low | 62.7 | Low | 173 Ų | 173 | 96.8 Ų | 96.8 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.8 | -49 | 170.7 | -177.4 | -89.2 | 0 | 0 | 0 | 112.2 | S644 R648 V649 A650 A661 | S644-Y646 PolarHBondContact O-N 2.87Å; Y646-R648 VanDerWaalsContact C-N 3.33Å; Y646-R648 PolarHBondContact O-N 3.06Å; Y646-V649 PolarHBondContact O-N 3.11Å; Y646-V649 VanDerWaalsContact O-N 3.16Å; Y646-A650 WeakPolarHBondContact O-CB 3.46Å; Y646-A650 PolarHBondContact O-N 3.08Å; Y646-A661 HydrophobicContact CD1-CB 3.74Å; Y646-A661 HydrophobicContact CE1-CB 4.17Å |
| 647 | A | 62.8 | Low | 62.7 | Low | 9 Ų | 9 | 93.3 Ų | 93.3 | 7% | 0.074 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -65.9 | -32.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I643 S644 L651 A661 | I643-A647 HydrophobicContact CG2-CB 3.46Å; I643-A647 VanDerWaalsContact CG2-CB 3.46Å; S644-A647 PolarHBondContact O-N 3.41Å; S644-A647 VanDerWaalsContact O-N 3.13Å; S644-A647 VanDerWaalsContact OG-CB 3.25Å; S644-A647 WeakPolarHBondContact OG-CB 3.22Å; S644-A647 PolarHBondContact OG-N 3.31Å; A647-L651 WeakPolarHBondContact O-CB 3.43Å; A647-L651 PolarHBondContact O-N 3.37Å; A647-A661 HydrophobicContact CB-CB 3.94Å |
| 648 | R | 66.8 | Low | 62.2 | Low | 91 Ų | 91 | 98.5 Ų | 98.5 | 34% | 0.343 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 170.6 | -73.5 | -173.8 | -76.4 | 151.4 | 0.2 | 111.8 | I643 S644 Q645 Y646 L651 S652 | I643-R648 HydrophobicContact CB-CG 4.22Å; I643-R648 HydrophobicContact CG2-CG 3.83Å; S644-R648 PolarHBondContact O-N 3.01Å; Q645-R648 PolarHBondContact O-N 3.44Å; Y646-R648 VanDerWaalsContact C-N 3.33Å; Y646-R648 PolarHBondContact O-N 3.06Å; R648-L651 WeakPolarHBondContact O-CB 3.41Å; R648-L651 PolarHBondContact O-N 3.3Å; R648-S652 PolarHBondContact O-N 2.92Å; R648-S652 VanDerWaalsContact O-N 3.12Å |
| 649 | V | 67.1 | Low | 61.7 | Low | 70 Ų | 70 | 104.2 Ų | 104.2 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -43 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | Q645 Y646 L651 S652 M653 | Q645-V649 WeakPolarHBondContact O-CG2 3.31Å; Q645-V649 PolarHBondContact O-N 3.37Å; Y646-V649 PolarHBondContact O-N 3.11Å; Y646-V649 VanDerWaalsContact O-N 3.16Å; V649-L651 VanDerWaalsContact C-N 3.3Å; V649-L651 PolarHBondContact O-N 3.35Å; V649-S652 WeakPolarHBondContact CA-OG 3.29Å; V649-S652 PolarHBondContact O-N 3.22Å; V649-S652 VanDerWaalsContact O-N 3.11Å; V649-S652 PolarHBondContact O-OG 3.32Å; V649-M653 HydrophobicContact CG1-CE 3.76Å; V649-M653 PolarHBondContact O-N 3.02Å |
| 650 | A | 66.3 | Low | 60.9 | Low | 16 Ų | 16 | 110.4 Ų | 110.4 | 13% | 0.132 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -61.2 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y646 M653 T655 | Y646-A650 WeakPolarHBondContact O-CB 3.46Å; Y646-A650 PolarHBondContact O-N 3.08Å; A650-M653 PolarHBondContact O-N 3.44Å; A650-T655 PolarHBondContact O-N 3.12Å; A650-T655 PolarHBondContact O-OG1 3.15Å |
| 651 | L | 66.4 | Low | 60.3 | Low | 77 Ų | 77 | 102.1 Ų | 102.1 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 170.2 | -89.9 | 160 | 0 | 0 | 0 | 112.2 | I643 A647 R648 V649 M653 G654 S657 | I643-L651 HydrophobicContact CD1-CD1 4.31Å; A647-L651 WeakPolarHBondContact O-CB 3.43Å; A647-L651 PolarHBondContact O-N 3.37Å; R648-L651 WeakPolarHBondContact O-CB 3.41Å; R648-L651 PolarHBondContact O-N 3.3Å; V649-L651 VanDerWaalsContact C-N 3.3Å; V649-L651 PolarHBondContact O-N 3.35Å; L651-M653 PolarHBondContact O-N 2.82Å; L651-G654 PolarHBondContact O-N 2.96Å; L651-G654 VanDerWaalsContact O-N 3.08Å; L651-S657 WeakPolarHBondContact CD2-OG 3.42Å; L651-S657 WeakPolarHBondContact CG-OG 3.33Å |
| 652 | S | 66.9 | Low | 59.6 | Low | 97 Ų | 97 | 101.9 Ų | 101.9 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66 | -23 | 178 | 57.8 | 0 | 0 | 0 | 0 | 114 | R648 V649 G654 | R648-S652 PolarHBondContact O-N 2.92Å; R648-S652 VanDerWaalsContact O-N 3.12Å; V649-S652 WeakPolarHBondContact CA-OG 3.29Å; V649-S652 PolarHBondContact O-N 3.22Å; V649-S652 VanDerWaalsContact O-N 3.11Å; V649-S652 PolarHBondContact O-OG 3.32Å; S652-G654 VanDerWaalsContact C-N 3.31Å |
| 653 | M | 71.1 | Confident | 58.8 | Low | 139 Ų | 139 | 103.4 Ų | 103.4 | 69% | 0.685 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 17.2 | 172.7 | -67.6 | -161.2 | -81 | 0 | 0 | 113.7 | V649 A650 L651 T655 | V649-M653 HydrophobicContact CG1-CE 3.76Å; V649-M653 PolarHBondContact O-N 3.02Å; A650-M653 PolarHBondContact O-N 3.44Å; L651-M653 PolarHBondContact O-N 2.82Å; M653-T655 PolarHBondContact O-N 3.43Å; M653-T655 VanDerWaalsContact O-N 3.1Å |
| 654 | G | 59.9 | Low | 58.1 | Low | 67 Ų | 67 | 107.3 Ų | 107.3 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 2.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116 | L651 S652 | L651-G654 PolarHBondContact O-N 2.96Å; L651-G654 VanDerWaalsContact O-N 3.08Å; S652-G654 VanDerWaalsContact C-N 3.31Å |
| 655 | T | 59 | Low | 56.9 | Low | 78 Ų | 78 | 112 Ų | 112 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | trans | -75.4 | 144.7 | 179.7 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | A650 M653 S657 | A650-T655 PolarHBondContact O-N 3.12Å; A650-T655 PolarHBondContact O-OG1 3.15Å; M653-T655 PolarHBondContact O-N 3.43Å; M653-T655 VanDerWaalsContact O-N 3.1Å; T655-S657 VanDerWaalsContact C-N 3.34Å; T655-S657 PolarHBondContact O-N 2.99Å | ||
| 656 | H | 51.4 | Low | 55.7 | Low | 193 Ų | 193 | 111.4 Ų | 111.4 | 89% | 0.894 | 56% | 0.559 | S | S | * | * | trans | -68 | 89.1 | 175.8 | -85.7 | -11.2 | 0 | 0 | 0 | 111.4 | R658 | H656-R658 PolarHBondContact O-N 3.04Š| ||
| 657 | S | 56.2 | Low | 54.6 | Low | 43 Ų | 43 | 109.7 Ų | 109.7 | 30% | 0.301 | 56% | 0.56 | S | S | . | * | trans | -67.9 | 4.1 | -173.7 | 62.5 | 0 | 0 | 0 | 0 | 116.3 | L651 T655 Y659 | L651-S657 WeakPolarHBondContact CD2-OG 3.42Å; L651-S657 WeakPolarHBondContact CG-OG 3.33Å; T655-S657 VanDerWaalsContact C-N 3.34Å; T655-S657 PolarHBondContact O-N 2.99Å; S657-Y659 VanDerWaalsContact C-N 3.32Å; S657-Y659 PolarHBondContact O-N 2.62Å; S657-Y659 VanDerWaalsContact O-N 3.09Å | ||
| 658 | R | 50.8 | Low | 53.5 | Low | 195 Ų | 195 | 116.9 Ų | 116.9 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -30.8 | -153.9 | -148.8 | 175.6 | -145.8 | 172.8 | 7.8 | 115.2 | H656 | H656-R658 PolarHBondContact O-N 3.04Š|
| 659 | Y | 51.1 | Low | 52 | Low | 185 Ų | 185 | 119.2 Ų | 119.2 | 73% | 0.725 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | 18.6 | -173.8 | -63.8 | -62.5 | 0 | 0 | 0 | 116.1 | S657 | S657-Y659 VanDerWaalsContact C-N 3.32Å; S657-Y659 PolarHBondContact O-N 2.62Å; S657-Y659 VanDerWaalsContact O-N 3.09Å |
| 660 | R | 47.8 | Very low | 50.4 | Low | 239 Ų | 239 | 123.5 Ų | 123.5 | 90% | 0.902 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -109.4 | 4.7 | -171.1 | -132.3 | -177.7 | -168.8 | -166.2 | 2.5 | 117 | ||
| 661 | A | 45.7 | Very low | 48.9 | Very low | 24 Ų | 24 | 130.5 Ų | 130.5 | 20% | 0.198 | 66% | 0.664 | C | S | . | * | S | Bend | trans | -157 | 29.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S644 Y646 A647 | S644-A661 PolarHBondContact OG-O 2.84Å; Y646-A661 HydrophobicContact CD1-CB 3.74Å; Y646-A661 HydrophobicContact CE1-CB 4.17Å; A647-A661 HydrophobicContact CB-CB 3.94Å |
| 662 | E | 46.8 | Very low | 47.5 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 51% | 0.514 | 68% | 0.68 | S | S | . | * | trans | -92.5 | -8.5 | 171.5 | -69.9 | -169 | 153.5 | 0 | 0 | 113.1 | R641 V664 | R641-E662 IonicContact CZ-OE1 3.86Å; R641-E662 VanDerWaalsContact NH1-CD 3.34Å; R641-E662 IonicContact NH1-OE1 2.81Å; R641-E662 PolarHBondContact NH1-OE1 2.93Å; R641-E662 IonicContact NH1-OE2 3.02Å; R641-E662 PolarHBondContact NH1-OE2 2.84Å; E662-V664 PolarHBondContact O-N 3.34Å; E662-V664 VanDerWaalsContact O-N 3.17Å | ||
| 663 | N | 42.7 | Very low | 46.2 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | -77.2 | 99 | 173.1 | -71.3 | 12.7 | 0 | 0 | 0 | 111 | ||||
| 664 | V | 49.5 | Very low | 44.4 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -84.3 | -14.6 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | E662 | E662-V664 PolarHBondContact O-N 3.34Å; E662-V664 VanDerWaalsContact O-N 3.17Å |
| 665 | M | 38.9 | Very low | 43.1 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 68% | 0.68 | 69% | 0.689 | S | S | * | * | trans | -126.7 | 130.6 | 159.7 | -62.9 | -160.7 | -59.2 | 0 | 0 | 109.5 | L667 | M665-L667 HydrophobicContact CE-CD1 3.93Å; M665-L667 HydrophobicContact CE-CG 4.33Å | ||
| 666 | L | 39.3 | Very low | 41.9 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | trans | -86.6 | 96.6 | 153.7 | -86.3 | 133.8 | 0 | 0 | 0 | 106.5 | E668 | L666-E668 HydrophobicContact CD2-CG 4.18Å; L666-E668 PolarHBondContact O-N 3.34Å; L666-E668 VanDerWaalsContact O-N 3.12Å | ||
| 667 | L | 40.6 | Very low | 40.8 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | -81.5 | 68.7 | 160.2 | -79.7 | 168.7 | 0 | 0 | 0 | 108.2 | M665 L669 | M665-L667 HydrophobicContact CE-CD1 3.93Å; M665-L667 HydrophobicContact CE-CG 4.33Å; L667-L669 PolarHBondContact O-N 3.13Å | ||
| 668 | E | 39.6 | Very low | 39.6 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -68.7 | 90.3 | 153 | -72.8 | 177.9 | 172.7 | 0 | 0 | 106 | L666 D670 | L666-E668 HydrophobicContact CD2-CG 4.18Å; L666-E668 PolarHBondContact O-N 3.34Å; L666-E668 VanDerWaalsContact O-N 3.12Å; E668-D670 PolarHBondContact O-N 2.95Å | ||
| 669 | L | 34.6 | Very low | 38.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | -61.3 | 125.7 | 153.6 | -78.7 | 167.2 | 0 | 0 | 0 | 106.1 | L667 M671 | L667-L669 PolarHBondContact O-N 3.13Å; L669-M671 PolarHBondContact O-N 3.22Å | ||
| 670 | D | 34.3 | Very low | 37.5 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -62.3 | 85.1 | 169.7 | -89.5 | -45.1 | 0 | 0 | 0 | 109.1 | E668 T672 | E668-D670 PolarHBondContact O-N 2.95Å; D670-T672 PolarHBondContact O-N 3.06Å | ||
| 671 | M | 34.3 | Very low | 36.7 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | trans | -69.5 | 85.9 | 163.7 | -68.7 | -67.2 | -63.9 | 0 | 0 | 106.5 | L669 P673 | L669-M671 PolarHBondContact O-N 3.22Å; M671-P673 VanDerWaalsContact O-N 3.12Å | ||
| 672 | T | 37.9 | Very low | 35.8 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 122.1 | 166.6 | 48.3 | 0 | 0 | 0 | 0 | 107.5 | D670 | D670-T672 PolarHBondContact O-N 3.06Š|
| 673 | P | 38.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 141.4 | -172.2 | 22.9 | -33.4 | 0 | 0 | 0 | 109.7 | M671 N675 | M671-P673 VanDerWaalsContact O-N 3.12Å; P673-N675 PolarHBondContact O-N 3.38Å |
| 674 | P | 34.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.1 | -179.6 | 25.1 | -33.7 | 0 | 0 | 0 | 109.3 | T676 | P674-T676 VanDerWaalsContact C-N 3.26Å; P674-T676 PolarHBondContact O-N 3.44Å |
| 675 | N | 31.3 | Very low | 33.4 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 84.9 | 175.8 | -84.9 | -20.7 | 0 | 0 | 0 | 110.1 | P673 S677 | P673-N675 PolarHBondContact O-N 3.38Å; N675-S677 PolarHBondContact O-N 3.12Å | ||
| 676 | T | 33.8 | Very low | 32.9 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -77.2 | 62.2 | 166.9 | 48.1 | 0 | 0 | 0 | 0 | 109.8 | P674 A678 | P674-T676 VanDerWaalsContact C-N 3.26Å; P674-T676 PolarHBondContact O-N 3.44Å; T676-A678 PolarHBondContact O-N 2.72Å | ||
| 677 | S | 29.7 | Very low | 32.4 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -66.4 | 97.4 | 164.1 | 58.3 | 0 | 0 | 0 | 0 | 108.2 | N675 | N675-S677 PolarHBondContact O-N 3.12Š| ||
| 678 | A | 29.7 | Very low | 31.8 | Very low | 84 Ų | 84 | 137.9 Ų | 137.9 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -59.2 | 143 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T676 T680 | T676-A678 PolarHBondContact O-N 2.72Å; A678-T680 PolarHBondContact O-N 3.2Å | ||
| 679 | L | 29.9 | Very low | 31.2 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -70.2 | 119.1 | 168.7 | -78.1 | 161 | 0 | 0 | 0 | 108.9 | ||||
| 680 | T | 28.6 | Very low | 31 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -127.3 | 117.3 | 159.5 | 53.2 | 0 | 0 | 0 | 0 | 107.3 | A678 | A678-T680 PolarHBondContact O-N 3.2Š| ||
| 681 | D | 30.3 | Very low | 30.7 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 145.5 | -179.1 | -63.8 | -68 | 0 | 0 | 0 | 112.3 | ||||
| 682 | G | 28 | Very low | 30.4 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 179.7 | 87.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 683 | E | 30.2 | Very low | 29.8 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -65.6 | 135.8 | 172.2 | -57.4 | -179.1 | 122 | 0 | 0 | 110.8 | ||||
| 684 | Q | 28.2 | Very low | 29.9 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 176.6 | 140.5 | 114.7 | -93.8 | 166.2 | 44.9 | 0 | 0 | 114.5 | |||||
| 685 | N | 28.7 | Very low | 29.6 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -13 | 128.7 | 161.3 | -55.4 | -44.6 | 0 | 0 | 0 | 118.8 | ||||
| 686 | Q | 28.9 | Very low | 29.5 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -175.4 | 167.6 | 102 | -99 | 174 | 54.2 | 0 | 0 | 114 | |||||
| 687 | S | 29.3 | Very low | 29.3 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -84.9 | 154.6 | -174.6 | 51.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 688 | P | 28.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -79.5 | 142.6 | 177.5 | 33 | -35.3 | 0 | 0 | 0 | 113.3 | ||||
| 689 | T | 26.9 | Very low | 29.3 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -129.7 | 137.6 | 169 | 50.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 690 | L | 30.1 | Very low | 29.1 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -75.2 | 148.7 | -179 | -61.8 | 93.2 | 0 | 0 | 0 | 112.9 | ||||
| 691 | N | 27.6 | Very low | 28.9 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 174.2 | 159 | 144.2 | -91.6 | -36.4 | 0 | 0 | 0 | 109.5 | ||||
| 692 | N | 28.1 | Very low | 28.6 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | cis | -172 | 114.1 | -44 | -123.9 | -28.4 | 0 | 0 | 0 | 107.8 | ||||
| 693 | F | 24.9 | Very low | 28.4 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 61.8 | 170.8 | 161.6 | -68.7 | -66.6 | 0 | 0 | 0 | 119.1 | ||||
| 694 | P | 41.6 | Very low | 28.3 | Very low | 99 Ų | 99 | 147.9 Ų | 147.9 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | cis | -136.3 | -168.7 | -36.6 | 36.2 | -18 | 0 | 0 | 0 | 114.6 | ||||
| 695 | T | 26.7 | Very low | 28.2 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | 80.8 | 124.5 | 152.4 | 43.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 696 | N | 29.4 | Very low | 28 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | 35.7 | 130.7 | 141 | -63 | -15.1 | 0 | 0 | 0 | 120.8 | ||||
| 697 | D | 30 | Very low | 27.9 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -138.9 | 155.6 | 140.6 | -151.1 | -7.8 | 0 | 0 | 0 | 112.6 | ||||
| 698 | K | 30 | Very low | 27.9 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -115.1 | 115.1 | 173.9 | -69.3 | 174.8 | 178.2 | 174.3 | 0 | 107.8 | ||||
| 699 | G | 28.6 | Very low | 27.9 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -66.1 | 150.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 700 | I | 25.4 | Very low | 28.1 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -164.8 | 129 | 156 | -105.7 | 154.7 | 0 | 0 | 0 | 110.2 | ||||
| 701 | C | 24.6 | Very low | 27.9 | Very low | 103 Ų | 103 | 152 Ų | 152 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | trans | 62.1 | 163.8 | 162.5 | -78.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 702 | K | 24.5 | Very low | 27.9 | Very low | 197 Ų | 197 | 149.8 Ų | 149.8 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | cis | -155.3 | 147.6 | 3.9 | -120.8 | 147.9 | -162.7 | 168.6 | 0 | 108.6 | ||||
| 703 | S | 24.6 | Very low | 27.9 | Very low | 119 Ų | 119 | 152 Ų | 152 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -140.6 | 109 | 170.4 | 59.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 704 | R | 27.6 | Very low | 28 | Very low | 249 Ų | 249 | 148.9 Ų | 148.9 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -159.5 | 150.7 | 167.4 | -91.7 | -167.6 | 174.9 | -170.1 | -1.4 | 106 | ||||
| 705 | S | 26.1 | Very low | 27.3 | Very low | 91 Ų | 91 | 149 Ų | 149 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | cis | -176.9 | 126.2 | -8.7 | 153.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 706 | W | 25.6 | Very low | 27.3 | Very low | 222 Ų | 222 | 148.4 Ų | 148.4 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -142.3 | 108.4 | 165.2 | -86.3 | 91.6 | 0 | 0 | 0 | 112.2 | Q708 | W706-Q708 HydrophobicContact CZ3-CG 4.3Š| ||
| 707 | C | 26.5 | Very low | 27.2 | Very low | 131 Ų | 131 | 146 Ų | 146 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -133.9 | 133 | 155 | -86 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 708 | Q | 28.9 | Very low | 27.1 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -123.1 | 155.2 | 172.4 | -104.7 | -176.1 | -13.2 | 0 | 0 | 109.4 | W706 | W706-Q708 HydrophobicContact CZ3-CG 4.3Š| ||
| 709 | S | 29 | Very low | 27 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -146.8 | 150 | -174.9 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 710 | Q | 29.3 | Very low | 26.9 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | 61.1 | 120.9 | 167.8 | -62.2 | -173 | -22.8 | 0 | 0 | 119.6 | ||||
| 711 | K | 27.2 | Very low | 27 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | -168.5 | -178.6 | 108.5 | -102 | 169.1 | -176.2 | -179.6 | 0 | 111.4 | |||||
| 712 | S | 27.6 | Very low | 27.2 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -149 | 164 | -163.9 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 713 | I | 28.3 | Very low | 27.3 | Very low | 161 Ų | 161 | 142 Ų | 142 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | 62.7 | 149.4 | 173.9 | 3.4 | -177.8 | 0 | 0 | 0 | 113.8 | ||||
| 714 | T | 27 | Very low | 27.5 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | cis | -141.8 | 165.9 | 17 | 49.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 715 | S | 26.1 | Very low | 27.5 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -27.3 | 148 | 167.7 | 55.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 716 | S | 27.5 | Very low | 27.7 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 168.9 | 156.7 | 101 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 717 | S | 27.4 | Very low | 27.8 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 27.9 | 145.4 | 153.5 | 42.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 718 | S | 27.7 | Very low | 28 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -173.3 | 164 | -0.4 | 45.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 719 | N | 27.8 | Very low | 28.2 | Very low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 66.2 | 131.6 | 152 | -65 | -3.2 | 0 | 0 | 0 | 122.5 | ||||
| 720 | N | 27.2 | Very low | 28.7 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | 69.1 | 150.4 | 138.7 | -66.6 | 1.3 | 0 | 0 | 0 | 120.3 | ||||
| 721 | S | 27.2 | Very low | 28.6 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | -174.2 | 150.5 | -18 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 722 | L | 27.6 | Very low | 28.7 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | 61.7 | 133.6 | 143.4 | -66.6 | 162.8 | 0 | 0 | 0 | 121.8 | ||||
| 723 | F | 26.7 | Very low | 28.8 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | 64.9 | 137.1 | 149.3 | -77.7 | -125.7 | 0 | 0 | 0 | 118.5 | ||||
| 724 | A | 28.3 | Very low | 28.8 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | cis | 102.6 | 98 | 20.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 725 | A | 29.2 | Very low | 28.9 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -161.5 | 136.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 726 | L | 28.6 | Very low | 29.1 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | cis | 70.7 | 134.8 | 29.3 | -118.7 | 178.3 | 0 | 0 | 0 | 113.9 | ||||
| 727 | K | 29.2 | Very low | 29.2 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 72.3 | 149.4 | 173.4 | -74.2 | -174.5 | 179.5 | -178.4 | 0 | 117.7 | ||||
| 728 | T | 31.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 64% | 0.644 | 79% | 0.786 | S | S | * | * | cis | -172.2 | 161.6 | -34.2 | 16.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 729 | F | 32.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 41.3 | 116.9 | 153.3 | -75.4 | -71.6 | 0 | 0 | 0 | 119.6 | ||||
| 730 | N | 38.5 | Very low | 29.7 | Very low | 230 Ų | 230 | 146.5 Ų | 146.5 | 100% | 1.23 | 80% | 0.802 | S | S | * | * | -140.1 | 0 | 82.2 | -89.8 | -26.6 | 0 | 0 | 0 | 110.1 |
Retrieved 730 of 730 residues in 147.4 ms
(Link to these results)