| 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 | 31.6 | Very low | 63.8 | Low | 246 Ų | 246 | 110.7 Ų | 110.7 | 100% | 1.212 | 59% | 0.587 | S | S | * | * | 0 | 128.2 | 0 | -55.3 | -177.2 | -154.5 | 0 | 0 | 108 | K3 | M1-K3 PolarHBondContact O-N 3.43Š| |||
| 2 | S | 33.7 | Very low | 66.5 | Low | 115 Ų | 115 | 101.5 Ų | 101.5 | 80% | 0.804 | 54% | 0.538 | S | S | * | . | trans | -74.2 | 123.2 | 171.8 | 38.4 | 0 | 0 | 0 | 0 | 109.3 | L4 | S2-L4 PolarHBondContact O-N 3.32Š| ||
| 3 | K | 37.3 | Very low | 68.9 | Low | 207 Ų | 207 | 93.8 Ų | 93.8 | 90% | 0.9 | 50% | 0.497 | S | S | * | . | trans | -59 | 113.2 | 163.5 | -79.5 | -177.1 | 176 | 178.6 | 0 | 106.9 | M1 K5 | M1-K3 PolarHBondContact O-N 3.43Å; K3-K5 PolarHBondContact O-N 2.97Å | ||
| 4 | L | 38.9 | Very low | 71 | Confident | 167 Ų | 167 | 87.2 Ų | 87.2 | 87% | 0.874 | 46% | 0.462 | S | S | * | . | trans | -54 | 114.8 | 169.4 | -82.6 | 147.9 | 0 | 0 | 0 | 107.4 | S2 S6 | S2-L4 PolarHBondContact O-N 3.32Å; L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.3Å | ||
| 5 | K | 47.2 | Very low | 72.8 | Confident | 165 Ų | 165 | 82.5 Ų | 82.5 | 72% | 0.717 | 44% | 0.436 | S | S | * | . | trans | -66.4 | 96.1 | 173.4 | -73.4 | 176.9 | 177.4 | 172.1 | 0 | 106.9 | K3 S7 | K3-K5 PolarHBondContact O-N 2.97Å; K5-S7 PolarHBondContact O-N 2.95Å | ||
| 6 | S | 62 | Low | 74.3 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 70% | 0.699 | 41% | 0.408 | S | S | * | . | trans | -62.6 | 109.4 | 179.7 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | L4 | L4-S6 VanDerWaalsContact C-N 3.33Å; L4-S6 PolarHBondContact O-N 3.3Å | ||
| 7 | S | 78.9 | Confident | 75.5 | Confident | 73 Ų | 73 | 75 Ų | 75 | 51% | 0.51 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 130.4 | 165.4 | 34.9 | 0 | 0 | 0 | 0 | 109.4 | K5 N342 | K5-S7 PolarHBondContact O-N 2.95Å; S7-N342 VanDerWaalsContact CA-O 3.31Å; S7-N342 WeakPolarHBondContact CA-O 3.42Å |
| 8 | E | 89.4 | Confident | 76.6 | Confident | 47 Ų | 47 | 75.1 Ų | 75.1 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136 | 173.2 | -170 | 171.8 | 176.7 | 0 | 0 | 108.1 | R11 K310 N342 P344 | E8-R11 IonicContact OE1-CZ 3.41Å; E8-R11 IonicContact OE1-NE 2.68Å; E8-R11 PolarHBondContact OE1-NE 2.73Å; E8-R11 IonicContact OE1-NH2 3.42Å; E8-R11 PolarHBondContact OE1-NH2 2.8Å; E8-K310 WeakPolarHBondContact OE2-CD 3.39Å; E8-K310 WeakPolarHBondContact OE2-CE 3.27Å; E8-K310 WeakPolarHBondContact OE2-CG 3.26Å; E8-N342 PolarHBondContact N-O 3.33Å; E8-N342 PolarHBondContact O-N 2.92Å; E8-P344 HydrophobicContact CB-CG 4.05Å |
| 9 | S | 92.6 | Very high | 77.5 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 148.8 | 173.9 | -45.4 | 0 | 0 | 0 | 0 | 110.2 | R11 I340 K341 | S9-R11 PolarHBondContact O-N 3.2Å; S9-I340 CarbonylContact C-O 3.19Å; S9-I340 VanDerWaalsContact CA-O 3.28Å; S9-I340 WeakPolarHBondContact CA-O 3.42Å; S9-K341 PolarHBondContact OG-NZ 3.4Å |
| 10 | V | 94.4 | Very high | 78 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 124.4 | 163.5 | 175.3 | 0 | 0 | 0 | 0 | 108.2 | V12 T311 K338 I340 | V10-V12 HydrophobicContact CG1-CG2 4.39Å; V10-T311 HydrophobicContact CG1-CG2 4.07Å; V10-K338 WeakPolarHBondContact O-CA 3.43Å; V10-I340 HydrophobicContact CB-CB 4.28Å; V10-I340 HydrophobicContact CG2-CB 3.72Å; V10-I340 HydrophobicContact CG2-CD1 4.48Å; V10-I340 HydrophobicContact CG2-CG2 3.75Å; V10-I340 PolarHBondContact N-O 2.88Å |
| 11 | R | 95.6 | Very high | 78.6 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 136.6 | 177.7 | -55.8 | -176.2 | -162.6 | 177.6 | 4.1 | 109 | E8 S9 D60 T311 V312 M313 | E8-R11 IonicContact OE1-CZ 3.41Å; E8-R11 IonicContact OE1-NE 2.68Å; E8-R11 PolarHBondContact OE1-NE 2.73Å; E8-R11 IonicContact OE1-NH2 3.42Å; E8-R11 PolarHBondContact OE1-NH2 2.8Å; S9-R11 PolarHBondContact O-N 3.2Å; R11-D60 WeakPolarHBondContact CA-OD2 3.39Å; R11-T311 PolarHBondContact N-O 3.3Å; R11-V312 HydrophobicContact CB-CG2 4.38Å; R11-V312 CarbonylContact O-C 3.24Å; R11-V312 WeakPolarHBondContact O-CA 3.42Å; R11-M313 PolarHBondContact O-N 3.18Å |
| 12 | V | 96.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.6 | -176.6 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | V10 F59 D60 M313 A334 A337 K338 | V10-V12 HydrophobicContact CG1-CG2 4.39Å; V12-F59 HydrophobicContact CB-CD1 4.3Å; V12-F59 HydrophobicContact CG1-CD1 3.78Å; V12-F59 HydrophobicContact CG1-CE1 4.15Å; V12-D60 PolarHBondContact N-OD2 3.14Å; V12-D60 PolarHBondContact O-N 3.18Å; V12-M313 HydrophobicContact CG1-CB 4.39Å; V12-M313 HydrophobicContact CG1-CG 4.46Å; V12-M313 HydrophobicContact CG1-SD 4.26Å; V12-M313 HydrophobicContact CG2-CB 4.14Å; V12-A334 HydrophobicContact CG1-CB 3.72Å; V12-A337 HydrophobicContact CG2-CB 4.1Å; V12-K338 HydrophobicContact CB-CB 4.04Å; V12-K338 HydrophobicContact CG2-CB 3.58Å |
| 13 | V | 97.3 | Very high | 83.9 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 141.7 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | A61 Y63 T76 M313 V314 A315 | V13-A61 VanDerWaalsContact CA-O 3.24Å; V13-A61 WeakPolarHBondContact CA-O 3.48Å; V13-A61 HydrophobicContact CB-CB 4.46Å; V13-A61 WeakPolarHBondContact CB-O 3.38Å; V13-A61 HydrophobicContact CG1-CB 3.82Å; V13-Y63 HydrophobicContact CB-CD2 4.4Å; V13-Y63 HydrophobicContact CB-CE2 4.01Å; V13-Y63 HydrophobicContact CG1-CE2 4.33Å; V13-Y63 HydrophobicContact CG2-CE2 4.32Å; V13-T76 HydrophobicContact CG1-CG2 3.71Å; V13-T76 HydrophobicContact CG2-CG2 4.11Å; V13-M313 PolarHBondContact N-O 2.69Å; V13-V314 HydrophobicContact CG2-CB 4.32Å; V13-V314 HydrophobicContact CG2-CG1 4.18Å; V13-V314 HydrophobicContact CG2-CG2 3.97Å; V13-V314 WeakPolarHBondContact O-CA 3.21Å; V13-A315 PolarHBondContact O-N 2.65Å |
| 14 | V | 98.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.5 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | V41 F59 A61 V62 Y63 A315 I317 L331 | V14-V41 HydrophobicContact CB-CG2 4.01Å; V14-V41 HydrophobicContact CG1-CG2 3.95Å; V14-V41 HydrophobicContact CG2-CG2 4.3Å; V14-F59 HydrophobicContact CB-CD2 4.42Å; V14-F59 HydrophobicContact CG2-CD1 4Å; V14-F59 HydrophobicContact CG2-CD2 3.4Å; V14-F59 VanDerWaalsContact CG2-CD2 3.4Å; V14-F59 HydrophobicContact CG2-CE1 4.01Å; V14-F59 HydrophobicContact CG2-CE2 3.4Å; V14-F59 VanDerWaalsContact CG2-CE2 3.4Å; V14-F59 HydrophobicContact CG2-CG 3.7Å; V14-F59 HydrophobicContact CG2-CZ 3.72Å; V14-A61 PolarHBondContact N-O 3.16Å; V14-A61 VanDerWaalsContact N-O 3.16Å; V14-V62 HydrophobicContact CB-CG1 4.31Å; V14-V62 CarbonylContact O-C 3.6Å; V14-V62 WeakPolarHBondContact O-CA 3.3Å; V14-Y63 PolarHBondContact O-N 3.47Å; V14-A315 CarbonylContact C-O 3.6Å; V14-A315 WeakPolarHBondContact CA-O 3.27Å; V14-A315 HydrophobicContact CG2-CB 4.13Å; V14-I317 HydrophobicContact CG1-CD1 3.61Å; V14-I317 HydrophobicContact CG1-CG1 3.87Å; V14-L331 HydrophobicContact CG1-CD2 3.97Å; V14-L331 HydrophobicContact CG2-CD2 3.77Å |
| 15 | R | 97.8 | Very high | 89.1 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 6% | 0.06 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 113.3 | 174.1 | -170.4 | -177.1 | -165.9 | 177.3 | 12.9 | 111.2 | T105 V314 A315 N316 I317 | R15-T105 PolarHBondContact NH1-OG1 3.5Å; R15-V314 HydrophobicContact CB-CG1 4.4Å; R15-A315 PolarHBondContact N-O 2.84Å; R15-N316 WeakPolarHBondContact O-CA 3.29Å; R15-I317 PolarHBondContact O-N 2.72Å |
| 16 | C | 97.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.6 | 173.4 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | V34 Y63 D64 W65 I317 | C16-V34 HydrophobicContact CB-CG2 3.87Å; C16-Y63 PolarHBondContact N-O 3.17Å; C16-D64 CarbonylContact O-C 3.53Å; C16-D64 VanDerWaalsContact O-C 3.24Å; C16-W65 WeakPolarHBondContact O-CA 3.41Å; C16-W65 PolarHBondContact O-N 2.73Å; C16-I317 HydrophobicContact CB-CD1 4.2Å; C16-I317 HydrophobicContact CB-CG1 3.91Å |
| 17 | R | 95.3 | Very high | 92.5 | Very high | 38 Ų | 38 | 52.5 Ų | 52.5 | 14% | 0.143 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 162.4 | 177.9 | 65.9 | 152.2 | 173.2 | 72.6 | 4.2 | 112.5 | N20 E23 G99 T100 I317 P319 | R17-N20 PolarHBondContact NH2-ND2 3Å; R17-E23 IonicContact CZ-OE1 2.66Å; R17-E23 IonicContact CZ-OE2 3.05Å; R17-E23 IonicContact NH1-OE1 2.75Å; R17-E23 PolarHBondContact NH1-OE1 3.1Å; R17-E23 IonicContact NH1-OE2 2.82Å; R17-E23 PolarHBondContact NH1-OE2 3.27Å; R17-E23 IonicContact NH2-OE1 3.19Å; R17-E23 PolarHBondContact NH2-OE1 2.9Å; R17-E23 IonicContact NH2-OE2 3.51Å; R17-G99 PolarHBondContact NE-O 3.45Å; R17-G99 PolarHBondContact NH2-O 2.9Å; R17-T100 WeakPolarHBondContact CG-O 3.45Å; R17-I317 PolarHBondContact N-O 2.9Å; R17-P319 WeakPolarHBondContact O-CD 3.3Å; R17-P319 WeakPolarHBondContact O-CG 3.47Å |
| 18 | P | 95.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 53 Ų | 53 | 50% | 0.5 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -54 | 151.4 | 164.1 | -24.1 | 32.6 | 0 | 0 | 0 | 112.9 | N20 W65 | P18-N20 PolarHBondContact O-N 3.43Å; P18-W65 HydrophobicContact CB-CB 4.31Å; P18-W65 HydrophobicContact CG-CB 4.06Å; P18-W65 WeakPolarHBondContact CG-O 3.26Å |
| 19 | M | 92.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 127.7 | 170.8 | -171.1 | 178.5 | -100.7 | 0 | 0 | 109.7 | E23 K24 Y28 K30 P319 A320 | M19-E23 WeakPolarHBondContact CA-OE2 3.37Å; M19-E23 HydrophobicContact CG-CB 3.51Å; M19-E23 HydrophobicContact CG-CG 4.48Å; M19-E23 WeakPolarHBondContact CG-OE2 3.27Å; M19-E23 HydrophobicContact SD-CB 4.3Å; M19-K24 HydrophobicContact CB-CG 4.43Å; M19-K24 HydrophobicContact CG-CG 3.95Å; M19-K24 VanDerWaalsContact O-CE 3.25Å; M19-K24 WeakPolarHBondContact O-CE 3.34Å; M19-K24 HydrophobicContact SD-CG 3.95Å; M19-Y28 WeakPolarHBondContact CE-O 3.48Å; M19-K30 HydrophobicContact CE-CB 4.4Å; M19-P319 HydrophobicContact CB-CG 3.84Å; M19-P319 HydrophobicContact CG-CG 4.46Å; M19-A320 HydrophobicContact CE-CB 3.79Å |
| 20 | N | 89.1 | Confident | 93.2 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 167.4 | -172.9 | 76.8 | 47.2 | 0 | 0 | 0 | 111.9 | R17 P18 K22 E23 K24 | R17-N20 PolarHBondContact NH2-ND2 3Å; P18-N20 PolarHBondContact O-N 3.43Å; N20-K22 VanDerWaalsContact C-N 3.3Å; N20-K22 PolarHBondContact O-N 3.2Å; N20-K22 WeakPolarHBondContact OD1-CA 3.36Å; N20-K22 WeakPolarHBondContact OD1-CB 3.4Å; N20-K22 PolarHBondContact OD1-N 3.5Å; N20-E23 PolarHBondContact N-OE2 2.85Å; N20-E23 PolarHBondContact ND2-OE1 3.2Å; N20-E23 PolarHBondContact ND2-OE2 3.24Å; N20-E23 PolarHBondContact O-N 2.91Å; N20-E23 WeakPolarHBondContact OD1-CG 3.4Å; N20-E23 PolarHBondContact OD1-N 3.24Å; N20-K24 WeakPolarHBondContact O-CG 3.47Å; N20-K24 PolarHBondContact O-N 2.92Å |
| 21 | S | 88.9 | Confident | 93.2 | Very high | 103 Ų | 103 | 60 Ų | 60 | 72% | 0.72 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.9 | -31.9 | -175.9 | -48.8 | 0 | 0 | 0 | 0 | 113.8 | A25 | S21-A25 VanDerWaalsContact O-CB 3.27Å; S21-A25 WeakPolarHBondContact O-CB 3.01Å; S21-A25 PolarHBondContact O-N 3.21Å |
| 22 | K | 87.6 | Confident | 93.1 | Very high | 176 Ų | 176 | 57.7 Ų | 57.7 | 77% | 0.765 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.7 | -42.3 | 176.2 | -64.1 | -177.7 | 178 | 179.5 | 0 | 111.1 | N20 A25 A26 | N20-K22 VanDerWaalsContact C-N 3.3Å; N20-K22 PolarHBondContact O-N 3.2Å; N20-K22 WeakPolarHBondContact OD1-CA 3.36Å; N20-K22 WeakPolarHBondContact OD1-CB 3.4Å; N20-K22 PolarHBondContact OD1-N 3.5Å; K22-A25 PolarHBondContact O-N 3.37Å; K22-A26 VanDerWaalsContact O-CB 3.29Å; K22-A26 WeakPolarHBondContact O-CB 3.44Å; K22-A26 PolarHBondContact O-N 3.07Å |
| 23 | E | 90.1 | Very high | 93 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.033 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 176.8 | -69.1 | 165.4 | 163.7 | 0 | 0 | 112 | R17 M19 N20 S27 Y28 A320 N323 | R17-E23 IonicContact CZ-OE1 2.66Å; R17-E23 IonicContact CZ-OE2 3.05Å; R17-E23 IonicContact NH1-OE1 2.75Å; R17-E23 PolarHBondContact NH1-OE1 3.1Å; R17-E23 IonicContact NH1-OE2 2.82Å; R17-E23 PolarHBondContact NH1-OE2 3.27Å; R17-E23 IonicContact NH2-OE1 3.19Å; R17-E23 PolarHBondContact NH2-OE1 2.9Å; R17-E23 IonicContact NH2-OE2 3.51Å; M19-E23 WeakPolarHBondContact CA-OE2 3.37Å; M19-E23 HydrophobicContact CG-CB 3.51Å; M19-E23 HydrophobicContact CG-CG 4.48Å; M19-E23 WeakPolarHBondContact CG-OE2 3.27Å; M19-E23 HydrophobicContact SD-CB 4.3Å; N20-E23 PolarHBondContact N-OE2 2.85Å; N20-E23 PolarHBondContact ND2-OE1 3.2Å; N20-E23 PolarHBondContact ND2-OE2 3.24Å; N20-E23 PolarHBondContact O-N 2.91Å; N20-E23 WeakPolarHBondContact OD1-CG 3.4Å; N20-E23 PolarHBondContact OD1-N 3.24Å; E23-S27 PolarHBondContact O-N 3.43Å; E23-Y28 HydrophobicContact CB-CD2 4.17Å; E23-Y28 HydrophobicContact CG-CD2 4.21Å; E23-Y28 PolarHBondContact O-N 3.2Å; E23-Y28 VanDerWaalsContact O-N 3.12Å; E23-A320 HydrophobicContact CB-CB 4.15Å; E23-A320 HydrophobicContact CG-CB 3.79Å; E23-N323 PolarHBondContact OE1-ND2 3.43Å |
| 24 | K | 91.5 | Very high | 92.9 | Very high | 134 Ų | 134 | 63.2 Ų | 63.2 | 58% | 0.583 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 173.5 | -70.7 | 176.2 | 178.4 | 174.3 | 0 | 112 | M19 N20 A26 S27 | M19-K24 HydrophobicContact CB-CG 4.43Å; M19-K24 HydrophobicContact CG-CG 3.95Å; M19-K24 VanDerWaalsContact O-CE 3.25Å; M19-K24 WeakPolarHBondContact O-CE 3.34Å; M19-K24 HydrophobicContact SD-CG 3.95Å; N20-K24 WeakPolarHBondContact O-CG 3.47Å; N20-K24 PolarHBondContact O-N 2.92Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.1Å; K24-S27 PolarHBondContact O-N 3.49Å |
| 25 | A | 92.9 | Very high | 92.7 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 69% | 0.686 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S21 K22 S27 | S21-A25 VanDerWaalsContact O-CB 3.27Å; S21-A25 WeakPolarHBondContact O-CB 3.01Å; S21-A25 PolarHBondContact O-N 3.21Å; K22-A25 PolarHBondContact O-N 3.37Å; A25-S27 PolarHBondContact O-N 2.78Å |
| 26 | A | 90.8 | Very high | 92.3 | Very high | 48 Ų | 48 | 67.8 Ų | 67.8 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K22 K24 Y28 | K22-A26 VanDerWaalsContact O-CB 3.29Å; K22-A26 WeakPolarHBondContact O-CB 3.44Å; K22-A26 PolarHBondContact O-N 3.07Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.1Å; A26-Y28 HydrophobicContact CB-CD1 4.4Å; A26-Y28 HydrophobicContact CB-CD2 3.9Å; A26-Y28 HydrophobicContact CB-CE1 4.13Å; A26-Y28 HydrophobicContact CB-CE2 3.6Å; A26-Y28 HydrophobicContact CB-CG 4.28Å; A26-Y28 PolarHBondContact O-N 2.97Å |
| 27 | S | 91.6 | Very high | 91.7 | Very high | 106 Ų | 106 | 75.6 Ų | 75.6 | 74% | 0.741 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.8 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 114.2 | E23 K24 A25 | E23-S27 PolarHBondContact O-N 3.43Å; K24-S27 PolarHBondContact O-N 3.49Å; A25-S27 PolarHBondContact O-N 2.78Å |
| 28 | Y | 91.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 75 Ų | 75 | 33% | 0.329 | 40% | 0.404 | S | S | . | . | trans | -69.3 | 137.7 | 175.9 | -65.8 | -40.2 | 0 | 0 | 0 | 111.4 | M19 E23 A26 A320 Y322 | M19-Y28 WeakPolarHBondContact CE-O 3.48Å; E23-Y28 HydrophobicContact CB-CD2 4.17Å; E23-Y28 HydrophobicContact CG-CD2 4.21Å; E23-Y28 PolarHBondContact O-N 3.2Å; E23-Y28 VanDerWaalsContact O-N 3.12Å; A26-Y28 HydrophobicContact CB-CD1 4.4Å; A26-Y28 HydrophobicContact CB-CD2 3.9Å; A26-Y28 HydrophobicContact CB-CE1 4.13Å; A26-Y28 HydrophobicContact CB-CE2 3.6Å; A26-Y28 HydrophobicContact CB-CG 4.28Å; A26-Y28 PolarHBondContact O-N 2.97Å; Y28-A320 HydrophobicContact CD2-CB 4.46Å; Y28-Y322 HydrophobicContact CD2-CG 4.46Å; Y28-Y322 HydrophobicContact CE1-CD2 4.23Å; Y28-Y322 HydrophobicContact CE1-CG 4.37Å; Y28-Y322 HydrophobicContact CE2-CD1 4.36Å; Y28-Y322 HydrophobicContact CE2-CD2 4.28Å; Y28-Y322 AromaticContact CE2-CG 3.81Å; Y28-Y322 HydrophobicContact CE2-CG 3.81Å; Y28-Y322 AromaticContact CZ-CD2 3.76Å; Y28-Y322 AromaticContact CZ-CG 3.77Å; Y28-Y322 WeakPolarHBondContact OH-CD2 3.15Å | ||
| 29 | E | 90.3 | Very high | 91 | Very high | 123 Ų | 123 | 71.3 Ų | 71.3 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | trans | -68.5 | 153.3 | 174.5 | -65.1 | -170.5 | 173.6 | 0 | 0 | 111.9 | A320 S321 | E29-A320 CarbonylContact O-C 3.55Å; E29-A320 WeakPolarHBondContact O-CA 3.29Å; E29-S321 PolarHBondContact N-OG 2.98Å; E29-S321 PolarHBondContact O-N 3.16Å | ||
| 30 | K | 93 | Very high | 91 | Very high | 108 Ų | 108 | 72.1 Ų | 72.1 | 47% | 0.47 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -86.9 | 112.5 | 169.8 | 177.8 | 177.8 | 179 | -175 | 0 | 109.5 | M19 V32 W65 P319 | M19-K30 HydrophobicContact CE-CB 4.4Å; K30-V32 WeakPolarHBondContact CE-O 3.41Å; K30-W65 VanDerWaalsContact NZ-CE2 3.3Å; K30-W65 VanDerWaalsContact NZ-CE3 3.32Å; K30-P319 WeakPolarHBondContact CA-O 3.45Å; K30-P319 HydrophobicContact CG-CB 4.27Å |
| 31 | V | 93.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 69.5 Ų | 69.5 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | trans | -105.9 | -10.6 | -174.8 | -63.7 | 0 | 0 | 0 | 0 | 114.3 | K44 P46 P319 V324 | V31-K44 WeakPolarHBondContact CB-O 3.31Å; V31-K44 PolarHBondContact O-N 2.65Å; V31-P46 HydrophobicContact CG1-CB 4.33Å; V31-P46 HydrophobicContact CG1-CG 4.22Å; V31-P319 PolarHBondContact N-O 3.17Å; V31-V324 HydrophobicContact CG2-CB 4.24Å; V31-V324 HydrophobicContact CG2-CG2 4.16Å | ||
| 32 | V | 95.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125 | 178.1 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | K30 V34 V41 V43 I317 G318 T327 | K30-V32 WeakPolarHBondContact CE-O 3.41Å; V32-V34 HydrophobicContact CG1-CG2 4.02Å; V32-V41 HydrophobicContact CG1-CG1 3.69Å; V32-V43 HydrophobicContact CG2-CG2 4.37Å; V32-I317 HydrophobicContact CG1-CD1 3.85Å; V32-G318 WeakPolarHBondContact CG2-O 3.41Å; V32-T327 HydrophobicContact CG2-CG2 3.97Å |
| 33 | N | 94.2 | Very high | 91.7 | Very high | 104 Ų | 104 | 57.6 Ų | 57.6 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.5 | 166 | -166.1 | 24.1 | 0 | 0 | 0 | 109.8 | S42 | N33-S42 PolarHBondContact N-O 3.31Å; N33-S42 PolarHBondContact O-N 3.26Å |
| 34 | V | 95.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 9% | 0.085 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 117.8 | -175.1 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | C16 V32 V36 V62 D64 W65 | C16-V34 HydrophobicContact CB-CG2 3.87Å; V32-V34 HydrophobicContact CG1-CG2 4.02Å; V34-V36 HydrophobicContact CG1-CG2 4.11Å; V34-V62 HydrophobicContact CG1-CB 3.93Å; V34-V62 HydrophobicContact CG1-CG2 3.53Å; V34-D64 HydrophobicContact CB-CB 4.25Å; V34-D64 HydrophobicContact CG1-CB 4.21Å; V34-W65 HydrophobicContact CB-CZ3 4.4Å; V34-W65 HydrophobicContact CG2-CZ3 4.25Å |
| 35 | D | 92.8 | Very high | 91.1 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 98.4 | 171.8 | -166.2 | -41.9 | 0 | 0 | 0 | 109.9 | K37 L38 G39 Q40 V62 | D35-K37 PolarHBondContact O-N 2.87Å; D35-K37 WeakPolarHBondContact OD1-CA 3.35Å; D35-K37 WeakPolarHBondContact OD1-CB 3.49Å; D35-K37 PolarHBondContact OD1-N 2.97Å; D35-L38 HydrophobicContact CB-CB 4.35Å; D35-L38 PolarHBondContact O-N 3.19Å; D35-L38 PolarHBondContact OD1-N 3.2Å; D35-G39 PolarHBondContact O-N 3.39Å; D35-Q40 HydrophobicContact CB-CB 4.35Å; D35-Q40 PolarHBondContact N-O 3.2Å; D35-Q40 PolarHBondContact O-N 3.41Å; D35-V62 WeakPolarHBondContact O-CG2 3.45Å |
| 36 | V | 90.2 | Very high | 90.3 | Very high | 49 Ų | 49 | 57.6 Ų | 57.6 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.7 | -179.4 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | V34 D64 R500 | V34-V36 HydrophobicContact CG1-CG2 4.11Å; V36-D64 HydrophobicContact CG2-CB 4.1Å; V36-R500 WeakPolarHBondContact O-CD 3.46Å; V36-R500 PolarHBondContact O-NE 2.92Å; V36-R500 VanDerWaalsContact O-NE 3.08Å |
| 37 | K | 85.5 | Confident | 89.4 | Confident | 164 Ų | 164 | 64 Ų | 64 | 71% | 0.713 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -44.1 | 177.2 | -66.1 | -172.2 | 175.2 | -169.6 | 0 | 111 | D35 R500 | D35-K37 PolarHBondContact O-N 2.87Å; D35-K37 WeakPolarHBondContact OD1-CA 3.35Å; D35-K37 WeakPolarHBondContact OD1-CB 3.49Å; D35-K37 PolarHBondContact OD1-N 2.97Å; K37-R500 WeakPolarHBondContact O-CD 3.49Å; K37-R500 VanDerWaalsContact O-CG 3.27Å; K37-R500 WeakPolarHBondContact O-CG 3.38Å |
| 38 | L | 84.4 | Confident | 88 | Confident | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.7 | -177.7 | -56.8 | -174.4 | 0 | 0 | 0 | 113.7 | D35 Q40 Q503 Q504 E507 | D35-L38 HydrophobicContact CB-CB 4.35Å; D35-L38 PolarHBondContact O-N 3.19Å; D35-L38 PolarHBondContact OD1-N 3.2Å; L38-Q40 VanDerWaalsContact C-N 3.27Å; L38-Q40 HydrophobicContact CB-CB 4.33Å; L38-Q40 HydrophobicContact CB-CG 3.84Å; L38-Q503 HydrophobicContact CD2-CG 3.78Å; L38-Q504 PolarHBondContact O-NE2 3.08Å; L38-E507 WeakPolarHBondContact CD2-OE1 3.39Å |
| 39 | G | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 27.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D35 T58 F59 V62 | D35-G39 PolarHBondContact O-N 3.39Å; G39-T58 WeakPolarHBondContact O-CA 3.33Å; G39-F59 PolarHBondContact O-N 3.19Å; G39-V62 VanDerWaalsContact C-CG1 3.42Å; G39-V62 VanDerWaalsContact O-CG1 3.27Å; G39-V62 WeakPolarHBondContact O-CG1 3.46Å |
| 40 | Q | 92.7 | Very high | 85.3 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143.1 | -170.3 | -66.3 | -176.8 | 19.3 | 0 | 0 | 113.1 | D35 L38 T56 F57 T58 | D35-Q40 HydrophobicContact CB-CB 4.35Å; D35-Q40 PolarHBondContact N-O 3.2Å; D35-Q40 PolarHBondContact O-N 3.41Å; L38-Q40 VanDerWaalsContact C-N 3.27Å; L38-Q40 HydrophobicContact CB-CB 4.33Å; L38-Q40 HydrophobicContact CB-CG 3.84Å; Q40-T56 HydrophobicContact CB-CG2 4.35Å; Q40-F57 CarbonylContact C-O 3.6Å; Q40-F57 VanDerWaalsContact CA-O 3.29Å; Q40-F57 WeakPolarHBondContact CA-O 3.47Å; Q40-T58 HydrophobicContact CG-CG2 4.09Å |
| 41 | V | 95 | Very high | 83.6 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.4 | 170 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | V14 V32 V43 T56 F57 F59 V62 I317 L331 | V14-V41 HydrophobicContact CB-CG2 4.01Å; V14-V41 HydrophobicContact CG1-CG2 3.95Å; V14-V41 HydrophobicContact CG2-CG2 4.3Å; V32-V41 HydrophobicContact CG1-CG1 3.69Å; V41-V43 HydrophobicContact CG1-CG2 4.34Å; V41-T56 CarbonylContact O-C 3.58Å; V41-T56 WeakPolarHBondContact O-CA 3.41Å; V41-F57 PolarHBondContact N-O 2.95Å; V41-F57 PolarHBondContact O-N 2.81Å; V41-F59 HydrophobicContact CB-CE2 4.47Å; V41-F59 HydrophobicContact CG2-CD2 4.32Å; V41-F59 HydrophobicContact CG2-CE2 4.32Å; V41-V62 HydrophobicContact CG2-CB 4.07Å; V41-V62 HydrophobicContact CG2-CG1 3.68Å; V41-I317 HydrophobicContact CG1-CD1 4.01Å; V41-L331 HydrophobicContact CB-CD2 4.31Å; V41-L331 HydrophobicContact CG1-CD1 4.02Å; V41-L331 HydrophobicContact CG1-CD2 4.23Å |
| 42 | S | 93.1 | Very high | 82.4 | Confident | 27 Ų | 27 | 67 Ų | 67 | 19% | 0.189 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.4 | 177.8 | -163.8 | 0 | 0 | 0 | 0 | 110.3 | N33 P54 K55 T56 | N33-S42 PolarHBondContact N-O 3.31Å; N33-S42 PolarHBondContact O-N 3.26Å; S42-P54 VanDerWaalsContact OG-CB 3.29Å; S42-P54 WeakPolarHBondContact OG-CB 3.5Å; S42-K55 CarbonylContact C-O 3.59Å; S42-K55 WeakPolarHBondContact CA-O 3.4Å; S42-T56 WeakPolarHBondContact CB-OG1 3.28Å; S42-T56 PolarHBondContact OG-OG1 2.63Å |
| 43 | V | 93 | Very high | 81.4 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.9 | -177.4 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | V32 V41 P54 K55 V324 T327 L328 L331 | V32-V43 HydrophobicContact CG2-CG2 4.37Å; V41-V43 HydrophobicContact CG1-CG2 4.34Å; V43-P54 WeakPolarHBondContact O-CA 3.32Å; V43-K55 PolarHBondContact N-O 3.18Å; V43-K55 PolarHBondContact O-N 3.35Å; V43-V324 HydrophobicContact CG1-CG2 3.71Å; V43-T327 HydrophobicContact CG2-CG2 4.23Å; V43-L328 HydrophobicContact CB-CD2 3.92Å; V43-L328 HydrophobicContact CG1-CD2 3.94Å; V43-L328 HydrophobicContact CG1-CG 4.19Å; V43-L328 HydrophobicContact CG2-CD2 4.37Å; V43-L331 HydrophobicContact CG2-CD1 3.41Å; V43-L331 VanDerWaalsContact CG2-CD1 3.41Å |
| 44 | K | 88.4 | Confident | 80.9 | Confident | 123 Ų | 123 | 70.4 Ų | 70.4 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | trans | -85.6 | 128.9 | 173 | -172.9 | -175.2 | 177.7 | -166.3 | 0 | 109.4 | V31 P46 | V31-K44 WeakPolarHBondContact CB-O 3.31Å; V31-K44 PolarHBondContact O-N 2.65Å; K44-P46 VanDerWaalsContact O-CD 3.28Å; K44-P46 WeakPolarHBondContact O-CD 3.31Å | ||
| 45 | N | 80.8 | Confident | 80.5 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | trans | -80 | 113.8 | 170.9 | -174.7 | 4.6 | 0 | 0 | 0 | 109.9 | R47 G48 E52 | N45-R47 PolarHBondContact O-N 3.06Å; N45-R47 PolarHBondContact OD1-N 3.03Å; N45-G48 VanDerWaalsContact CG-N 3.34Å; N45-G48 PolarHBondContact ND2-N 2.94Å; N45-G48 PolarHBondContact O-N 3.48Å; N45-G48 PolarHBondContact OD1-N 3.16Å; N45-E52 WeakPolarHBondContact CB-OE2 3.4Å; N45-E52 PolarHBondContact ND2-OE2 3Å | ||
| 46 | P | 75.7 | Confident | 80.3 | Confident | 55 Ų | 55 | 72.1 Ų | 72.1 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.8 | 178 | 32.7 | -36.7 | 0 | 0 | 0 | 112.9 | V31 K44 V324 | V31-P46 HydrophobicContact CG1-CB 4.33Å; V31-P46 HydrophobicContact CG1-CG 4.22Å; K44-P46 VanDerWaalsContact O-CD 3.28Å; K44-P46 WeakPolarHBondContact O-CD 3.31Å; P46-V324 HydrophobicContact CG-CG1 4.22Å |
| 47 | R | 70.7 | Confident | 80.3 | Confident | 182 Ų | 182 | 70.6 Ų | 70.6 | 69% | 0.687 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 0.4 | 173.7 | -59.5 | -173.4 | -170 | 149.7 | 8.8 | 113 | N45 E325 | N45-R47 PolarHBondContact O-N 3.06Å; N45-R47 PolarHBondContact OD1-N 3.03Å; R47-E325 IonicContact CZ-OE1 3.24Å; R47-E325 IonicContact NH1-OE1 3.26Å; R47-E325 PolarHBondContact NH1-OE1 2.84Å; R47-E325 IonicContact NH2-OE1 3.56Å |
| 48 | G | 63.3 | Low | 80.6 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -67.5 | 157.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N45 E52 | N45-G48 VanDerWaalsContact CG-N 3.34Å; N45-G48 PolarHBondContact ND2-N 2.94Å; N45-G48 PolarHBondContact O-N 3.48Å; N45-G48 PolarHBondContact OD1-N 3.16Å; G48-E52 WeakPolarHBondContact CA-OE2 3.2Å |
| 49 | T | 63.5 | Low | 81.1 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 65% | 0.65 | 34% | 0.344 | S | S | * | . | trans | -62 | 157.3 | 165.7 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | H51 E52 | T49-H51 PolarHBondContact O-N 3.03Å; T49-E52 PolarHBondContact O-N 3.45Å | ||
| 50 | S | 60.6 | Low | 81.2 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 90% | 0.895 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -7.5 | 179.5 | -43.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 51 | H | 57 | Low | 81.3 | Confident | 172 Ų | 172 | 65.8 Ų | 65.8 | 80% | 0.796 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -2.6 | 177.6 | -66.3 | -71.4 | 0 | 0 | 0 | 114.2 | T49 L53 | T49-H51 PolarHBondContact O-N 3.03Å; H51-L53 PolarHBondContact O-N 3.37Å |
| 52 | E | 67.9 | Low | 81.3 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | trans | -70.1 | 115.9 | 175.2 | -164.9 | -174.1 | 167.8 | 0 | 0 | 109.9 | N45 G48 T49 K55 | N45-E52 WeakPolarHBondContact CB-OE2 3.4Å; N45-E52 PolarHBondContact ND2-OE2 3Å; G48-E52 WeakPolarHBondContact CA-OE2 3.2Å; T49-E52 PolarHBondContact O-N 3.45Å; E52-K55 WeakPolarHBondContact OE1-CE 3.43Å; E52-K55 IonicContact OE1-NZ 3.73Å; E52-K55 PolarHBondContact OE1-NZ 3.06Å | ||
| 53 | L | 75.2 | Confident | 81.5 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 60% | 0.597 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 145.6 | 178.8 | -70.8 | 171.2 | 0 | 0 | 0 | 111.2 | H51 K55 | H51-L53 PolarHBondContact O-N 3.37Å; L53-K55 PolarHBondContact O-N 3.41Å |
| 54 | P | 83 | Confident | 81.6 | Confident | 64 Ų | 64 | 66 Ų | 66 | 42% | 0.416 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 127.8 | 174.6 | -25.4 | 35.3 | 0 | 0 | 0 | 112.7 | S42 V43 T56 | S42-P54 VanDerWaalsContact OG-CB 3.29Å; S42-P54 WeakPolarHBondContact OG-CB 3.5Å; V43-P54 WeakPolarHBondContact O-CA 3.32Å; P54-T56 PolarHBondContact O-N 3.16Å; P54-T56 PolarHBondContact O-OG1 3.49Å |
| 55 | K | 86.8 | Confident | 81.9 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 116.3 | 178.8 | -75.9 | 161.9 | 172.7 | 156.4 | 0 | 108.6 | S42 V43 E52 L53 F57 L328 D550 | S42-K55 CarbonylContact C-O 3.59Å; S42-K55 WeakPolarHBondContact CA-O 3.4Å; V43-K55 PolarHBondContact N-O 3.18Å; V43-K55 PolarHBondContact O-N 3.35Å; E52-K55 WeakPolarHBondContact OE1-CE 3.43Å; E52-K55 IonicContact OE1-NZ 3.73Å; E52-K55 PolarHBondContact OE1-NZ 3.06Å; L53-K55 PolarHBondContact O-N 3.41Å; K55-F57 HydrophobicContact CB-CE2 4.01Å; K55-F57 HydrophobicContact CB-CZ 4.35Å; K55-L328 HydrophobicContact CB-CD2 4.11Å; K55-L328 HydrophobicContact CD-CD1 4.41Å; K55-L328 HydrophobicContact CD-CD2 4.09Å; K55-D550 WeakPolarHBondContact CE-OD2 2.81Å; K55-D550 IonicContact NZ-OD1 3.77Å; K55-D550 IonicContact NZ-OD2 3.2Å; K55-D550 PolarHBondContact NZ-OD2 3.24Å |
| 56 | T | 88.4 | Confident | 82.5 | Confident | 71 Ų | 71 | 67 Ų | 67 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132.1 | -170.7 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | Q40 V41 S42 P54 | Q40-T56 HydrophobicContact CB-CG2 4.35Å; V41-T56 CarbonylContact O-C 3.58Å; V41-T56 WeakPolarHBondContact O-CA 3.41Å; S42-T56 WeakPolarHBondContact CB-OG1 3.28Å; S42-T56 PolarHBondContact OG-OG1 2.63Å; P54-T56 PolarHBondContact O-N 3.16Å; P54-T56 PolarHBondContact O-OG1 3.49Å |
| 57 | F | 91.9 | Very high | 83.3 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.6 | -172.7 | -57.5 | -91.3 | 0 | 0 | 0 | 110.4 | Q40 V41 K55 F59 L328 L331 R332 N335 | Q40-F57 CarbonylContact C-O 3.6Å; Q40-F57 VanDerWaalsContact CA-O 3.29Å; Q40-F57 WeakPolarHBondContact CA-O 3.47Å; V41-F57 PolarHBondContact N-O 2.95Å; V41-F57 PolarHBondContact O-N 2.81Å; K55-F57 HydrophobicContact CB-CE2 4.01Å; K55-F57 HydrophobicContact CB-CZ 4.35Å; F57-F59 HydrophobicContact CB-CD2 4.35Å; F57-F59 HydrophobicContact CB-CE2 3.39Å; F57-F59 HydrophobicContact CB-CZ 3.7Å; F57-F59 HydrophobicContact CG-CE2 4.44Å; F57-F59 HydrophobicContact CG-CZ 4.42Å; F57-L328 HydrophobicContact CE2-CD2 4.1Å; F57-L328 HydrophobicContact CZ-CD2 4.37Å; F57-L331 HydrophobicContact CD2-CB 4.01Å; F57-L331 HydrophobicContact CD2-CD1 3.97Å; F57-L331 HydrophobicContact CD2-CG 4.48Å; F57-L331 HydrophobicContact CE1-CB 4.5Å; F57-L331 HydrophobicContact CE2-CB 3.96Å; F57-L331 HydrophobicContact CE2-CD1 4.06Å; F57-L331 HydrophobicContact CG-CB 4.3Å; F57-L331 HydrophobicContact CZ-CB 4.21Å; F57-R332 HydrophobicContact CE1-CG 4.37Å; F57-R332 HydrophobicContact CZ-CG 4.4Å; F57-N335 HydrophobicContact CD1-CB 4.19Å |
| 58 | T | 91.6 | Very high | 84.4 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 33% | 0.325 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133.9 | 179.8 | -43.8 | 0 | 0 | 0 | 0 | 111.5 | G39 Q40 K338 | G39-T58 WeakPolarHBondContact O-CA 3.33Å; Q40-T58 HydrophobicContact CG-CG2 4.09Å; T58-K338 PolarHBondContact O-NZ 2.92Å |
| 59 | F | 94.6 | Very high | 85.8 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | trans | -131.7 | 171.7 | -174.5 | -60.7 | -80.5 | 0 | 0 | 0 | 111.7 | V12 V14 G39 V41 F57 A61 V62 L331 A334 N335 | V12-F59 HydrophobicContact CB-CD1 4.3Å; V12-F59 HydrophobicContact CG1-CD1 3.78Å; V12-F59 HydrophobicContact CG1-CE1 4.15Å; V14-F59 HydrophobicContact CB-CD2 4.42Å; V14-F59 HydrophobicContact CG2-CD1 4Å; V14-F59 HydrophobicContact CG2-CD2 3.4Å; V14-F59 VanDerWaalsContact CG2-CD2 3.4Å; V14-F59 HydrophobicContact CG2-CE1 4.01Å; V14-F59 HydrophobicContact CG2-CE2 3.4Å; V14-F59 VanDerWaalsContact CG2-CE2 3.4Å; V14-F59 HydrophobicContact CG2-CG 3.7Å; V14-F59 HydrophobicContact CG2-CZ 3.72Å; G39-F59 PolarHBondContact O-N 3.19Å; V41-F59 HydrophobicContact CB-CE2 4.47Å; V41-F59 HydrophobicContact CG2-CD2 4.32Å; V41-F59 HydrophobicContact CG2-CE2 4.32Å; F57-F59 HydrophobicContact CB-CD2 4.35Å; F57-F59 HydrophobicContact CB-CE2 3.39Å; F57-F59 HydrophobicContact CB-CZ 3.7Å; F57-F59 HydrophobicContact CG-CE2 4.44Å; F57-F59 HydrophobicContact CG-CZ 4.42Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.4Å; F59-V62 HydrophobicContact CB-CG1 4.07Å; F59-V62 HydrophobicContact CD2-CG1 4.03Å; F59-L331 HydrophobicContact CE2-CD2 3.74Å; F59-L331 HydrophobicContact CZ-CD2 3.76Å; F59-A334 HydrophobicContact CE1-CB 3.66Å; F59-A334 HydrophobicContact CZ-CB 4.2Å; F59-N335 HydrophobicContact CE1-CB 4.3Å; F59-N335 HydrophobicContact CZ-CB 4.49Å | ||
| 60 | D | 92.8 | Very high | 87 | Confident | 80 Ų | 80 | 59 Ų | 59 | 43% | 0.428 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -62.4 | -38 | 179 | -60.5 | -88.4 | 0 | 0 | 0 | 112 | R11 V12 | R11-D60 WeakPolarHBondContact CA-OD2 3.39Å; V12-D60 PolarHBondContact N-OD2 3.14Å; V12-D60 PolarHBondContact O-N 3.18Å |
| 61 | A | 93.7 | Very high | 88.3 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 155.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V13 V14 F59 Y63 | V13-A61 VanDerWaalsContact CA-O 3.24Å; V13-A61 WeakPolarHBondContact CA-O 3.48Å; V13-A61 HydrophobicContact CB-CB 4.46Å; V13-A61 WeakPolarHBondContact CB-O 3.38Å; V13-A61 HydrophobicContact CG1-CB 3.82Å; V14-A61 PolarHBondContact N-O 3.16Å; V14-A61 VanDerWaalsContact N-O 3.16Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.4Å; A61-Y63 HydrophobicContact CB-CE2 3.83Å |
| 62 | V | 95.8 | Very high | 90 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.4 | 175.6 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | V14 V34 D35 G39 V41 F59 | V14-V62 HydrophobicContact CB-CG1 4.31Å; V14-V62 CarbonylContact O-C 3.6Å; V14-V62 WeakPolarHBondContact O-CA 3.3Å; V34-V62 HydrophobicContact CG1-CB 3.93Å; V34-V62 HydrophobicContact CG1-CG2 3.53Å; D35-V62 WeakPolarHBondContact O-CG2 3.45Å; G39-V62 VanDerWaalsContact C-CG1 3.42Å; G39-V62 VanDerWaalsContact O-CG1 3.27Å; G39-V62 WeakPolarHBondContact O-CG1 3.46Å; V41-V62 HydrophobicContact CG2-CB 4.07Å; V41-V62 HydrophobicContact CG2-CG1 3.68Å; F59-V62 HydrophobicContact CB-CG1 4.07Å; F59-V62 HydrophobicContact CD2-CG1 4.03Å |
| 63 | Y | 96.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124.7 | -172.7 | -63.5 | -83.6 | 0 | 0 | 0 | 109.7 | V13 V14 C16 A61 L72 E75 T76 | V13-Y63 HydrophobicContact CB-CD2 4.4Å; V13-Y63 HydrophobicContact CB-CE2 4.01Å; V13-Y63 HydrophobicContact CG1-CE2 4.33Å; V13-Y63 HydrophobicContact CG2-CE2 4.32Å; V14-Y63 PolarHBondContact O-N 3.47Å; C16-Y63 PolarHBondContact N-O 3.17Å; A61-Y63 HydrophobicContact CB-CE2 3.83Å; Y63-L72 HydrophobicContact CD1-CD1 4.22Å; Y63-L72 HydrophobicContact CD2-CD1 3.54Å; Y63-L72 HydrophobicContact CE1-CB 4.25Å; Y63-L72 HydrophobicContact CE1-CD1 3.95Å; Y63-L72 HydrophobicContact CE2-CD1 3.23Å; Y63-L72 HydrophobicContact CG-CD1 4.02Å; Y63-L72 VanDerWaalsContact CZ-CD1 3.44Å; Y63-E75 PolarHBondContact OH-OE1 3.47Å; Y63-T76 PolarHBondContact OH-OG1 3.34Å |
| 64 | D | 95 | Very high | 91.9 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | trans | -84.6 | -176.9 | -179.6 | 82.1 | -24.6 | 0 | 0 | 0 | 112.1 | C16 V34 V36 N66 S67 | C16-D64 CarbonylContact O-C 3.53Å; C16-D64 VanDerWaalsContact O-C 3.24Å; V34-D64 HydrophobicContact CB-CB 4.25Å; V34-D64 HydrophobicContact CG1-CB 4.21Å; V36-D64 HydrophobicContact CG2-CB 4.1Å; D64-N66 PolarHBondContact O-N 2.85Å; D64-N66 WeakPolarHBondContact OD1-CA 3.4Å; D64-N66 WeakPolarHBondContact OD1-CB 3.41Å; D64-N66 PolarHBondContact OD1-N 2.65Å; D64-N66 PolarHBondContact OD2-ND2 2.94Å; D64-S67 PolarHBondContact N-OG 2.97Å; D64-S67 WeakPolarHBondContact O-CB 3.35Å; D64-S67 PolarHBondContact O-N 3.33Å; D64-S67 PolarHBondContact O-OG 3.28Å; D64-S67 PolarHBondContact OD1-N 3.09Å; D64-S67 PolarHBondContact OD1-OG 2.66Å | ||
| 65 | W | 94.3 | Very high | 92.2 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 28% | 0.284 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.1 | 177.5 | 49.1 | 79.9 | 0 | 0 | 0 | 114.3 | C16 P18 K30 V34 | C16-W65 WeakPolarHBondContact O-CA 3.41Å; C16-W65 PolarHBondContact O-N 2.73Å; P18-W65 HydrophobicContact CB-CB 4.31Å; P18-W65 HydrophobicContact CG-CB 4.06Å; P18-W65 WeakPolarHBondContact CG-O 3.26Å; K30-W65 VanDerWaalsContact NZ-CE2 3.3Å; K30-W65 VanDerWaalsContact NZ-CE3 3.32Å; V34-W65 HydrophobicContact CB-CZ3 4.4Å; V34-W65 HydrophobicContact CG2-CZ3 4.25Å |
| 66 | N | 94.4 | Very high | 92.4 | Very high | 116 Ų | 116 | 38.8 Ų | 38.8 | 62% | 0.62 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -15.1 | 176.5 | -59.4 | -55.4 | 0 | 0 | 0 | 113 | D64 K68 | D64-N66 PolarHBondContact O-N 2.85Å; D64-N66 WeakPolarHBondContact OD1-CA 3.4Å; D64-N66 WeakPolarHBondContact OD1-CB 3.41Å; D64-N66 PolarHBondContact OD1-N 2.65Å; D64-N66 PolarHBondContact OD2-ND2 2.94Å; N66-K68 PolarHBondContact O-N 2.95Å |
| 67 | S | 93.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 35.5 Ų | 35.5 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | trans | -67.3 | 124.9 | -169.3 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | D64 | D64-S67 PolarHBondContact N-OG 2.97Å; D64-S67 WeakPolarHBondContact O-CB 3.35Å; D64-S67 PolarHBondContact O-N 3.33Å; D64-S67 PolarHBondContact O-OG 3.28Å; D64-S67 PolarHBondContact OD1-N 3.09Å; D64-S67 PolarHBondContact OD1-OG 2.66Å | ||
| 68 | K | 92.6 | Very high | 92.9 | Very high | 122 Ų | 122 | 35.7 Ų | 35.7 | 53% | 0.53 | 18% | 0.178 | S | C | . | . | trans | -81 | 159.9 | -174.5 | -59.1 | -176.6 | 179.5 | -174.4 | 0 | 112.7 | N66 E71 L72 | N66-K68 PolarHBondContact O-N 2.95Å; K68-E71 HydrophobicContact CB-CB 4.44Å; K68-E71 HydrophobicContact CB-CG 4.1Å; K68-E71 WeakPolarHBondContact CB-OE2 3.45Å; K68-E71 PolarHBondContact N-OE2 3.31Å; K68-L72 PolarHBondContact O-N 3.13Å | ||
| 69 | Q | 92.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 176.7 | -59.5 | -78.4 | 58.4 | 0 | 0 | 112.4 | L72 Y73 Y104 K115 R116 | Q69-L72 PolarHBondContact O-N 3.18Å; Q69-Y73 WeakPolarHBondContact O-CB 3.42Å; Q69-Y73 PolarHBondContact O-N 2.81Å; Q69-Y104 PolarHBondContact NE2-O 2.74Å; Q69-K115 PolarHBondContact NE2-O 2.99Å; Q69-R116 WeakPolarHBondContact CB-O 3.3Å; Q69-R116 WeakPolarHBondContact CG-O 3.37Å |
| 70 | V | 89.6 | Confident | 93 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 29% | 0.291 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.1 | -40.8 | -177.5 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | Y73 D74 | V70-Y73 PolarHBondContact O-N 3.32Å; V70-D74 WeakPolarHBondContact O-CB 3.43Å; V70-D74 PolarHBondContact O-N 2.96Å |
| 71 | E | 88.3 | Confident | 93.1 | Very high | 90 Ų | 90 | 31.4 Ų | 31.4 | 42% | 0.421 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.1 | -47.6 | 176.5 | -66.8 | 163.3 | 173.7 | 0 | 0 | 111.2 | K68 Y73 E75 | K68-E71 HydrophobicContact CB-CB 4.44Å; K68-E71 HydrophobicContact CB-CG 4.1Å; K68-E71 WeakPolarHBondContact CB-OE2 3.45Å; K68-E71 PolarHBondContact N-OE2 3.31Å; E71-Y73 VanDerWaalsContact C-N 3.3Å; E71-Y73 PolarHBondContact O-N 2.93Å; E71-E75 VanDerWaalsContact O-CB 3.25Å; E71-E75 WeakPolarHBondContact O-CB 3.42Å; E71-E75 PolarHBondContact O-N 3.06Å |
| 72 | L | 91.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 174.7 | 175.8 | 64.8 | 0 | 0 | 0 | 112.1 | Y63 K68 Q69 T76 F77 T105 | Y63-L72 HydrophobicContact CD1-CD1 4.22Å; Y63-L72 HydrophobicContact CD2-CD1 3.54Å; Y63-L72 HydrophobicContact CE1-CB 4.25Å; Y63-L72 HydrophobicContact CE1-CD1 3.95Å; Y63-L72 HydrophobicContact CE2-CD1 3.23Å; Y63-L72 HydrophobicContact CG-CD1 4.02Å; Y63-L72 VanDerWaalsContact CZ-CD1 3.44Å; K68-L72 PolarHBondContact O-N 3.13Å; Q69-L72 PolarHBondContact O-N 3.18Å; L72-T76 WeakPolarHBondContact O-CB 3.35Å; L72-T76 PolarHBondContact O-N 3.24Å; L72-T76 VanDerWaalsContact O-N 3.1Å; L72-F77 HydrophobicContact CD1-CE2 4.19Å; L72-F77 HydrophobicContact CD1-CZ 4.01Å; L72-F77 HydrophobicContact CD2-CE2 3.89Å; L72-F77 HydrophobicContact CD2-CZ 4.13Å; L72-F77 HydrophobicContact CG-CD2 4.39Å; L72-F77 HydrophobicContact CG-CE2 3.56Å; L72-F77 HydrophobicContact CG-CZ 3.87Å; L72-T105 HydrophobicContact CD2-CG2 3.76Å |
| 73 | Y | 93.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -69.2 | -54.6 | 177.9 | -173.8 | -87 | 0 | 0 | 0 | 112.7 | Q69 V70 E71 E75 F77 R78 V118 N121 S122 H125 | Q69-Y73 WeakPolarHBondContact O-CB 3.42Å; Q69-Y73 PolarHBondContact O-N 2.81Å; V70-Y73 PolarHBondContact O-N 3.32Å; E71-Y73 VanDerWaalsContact C-N 3.3Å; E71-Y73 PolarHBondContact O-N 2.93Å; Y73-E75 VanDerWaalsContact C-N 3.27Å; Y73-E75 PolarHBondContact O-N 3.29Å; Y73-F77 HydrophobicContact CD2-CB 3.89Å; Y73-F77 HydrophobicContact CD2-CD2 4.01Å; Y73-F77 HydrophobicContact CD2-CG 4.48Å; Y73-F77 HydrophobicContact CE2-CB 4.06Å; Y73-F77 HydrophobicContact CG-CB 4.45Å; Y73-F77 PolarHBondContact O-N 3.31Å; Y73-R78 HydrophobicContact CD1-CB 4.33Å; Y73-R78 HydrophobicContact CE1-CB 4Å; Y73-R78 WeakPolarHBondContact O-CB 3.35Å; Y73-R78 PolarHBondContact O-N 3.46Å; Y73-V118 HydrophobicContact CD2-CB 4.39Å; Y73-V118 HydrophobicContact CD2-CG2 3.98Å; Y73-V118 HydrophobicContact CE2-CG2 4.01Å; Y73-N121 HydrophobicContact CD1-CB 4.28Å; Y73-N121 HydrophobicContact CD2-CB 3.46Å; Y73-N121 VanDerWaalsContact CD2-CB 3.46Å; Y73-N121 HydrophobicContact CE1-CB 4.42Å; Y73-N121 HydrophobicContact CE2-CB 3.63Å; Y73-N121 HydrophobicContact CG-CB 3.83Å; Y73-S122 WeakPolarHBondContact OH-CA 3.34Å; Y73-H125 HydrophobicContact CE1-CB 4.34Å; Y73-H125 VanDerWaalsContact OH-CB 3.28Å; Y73-H125 WeakPolarHBondContact OH-CB 3.46Å; Y73-H125 PolarHBondContact OH-ND1 2.82Å |
| 74 | D | 90.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -63.2 | -33.3 | -176.6 | -77.8 | -25.1 | 0 | 0 | 0 | 111.6 | V70 R78 R489 | V70-D74 WeakPolarHBondContact O-CB 3.43Å; V70-D74 PolarHBondContact O-N 2.96Å; D74-R78 IonicContact OD1-CZ 2.78Å; D74-R78 VanDerWaalsContact OD1-CZ 3.24Å; D74-R78 IonicContact OD1-NE 2.81Å; D74-R78 PolarHBondContact OD1-NE 3.03Å; D74-R78 IonicContact OD1-NH2 2.65Å; D74-R78 PolarHBondContact OD1-NH2 2.59Å; D74-R489 IonicContact OD2-CZ 2.73Å; D74-R489 IonicContact OD2-NH1 2.59Å; D74-R489 PolarHBondContact OD2-NH1 3.19Å |
| 75 | E | 88.9 | Confident | 93 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -82.8 | -48 | 179.7 | -171.4 | -176.9 | 135.9 | 0 | 0 | 113.9 | Y63 E71 Y73 R500 | Y63-E75 PolarHBondContact OH-OE1 3.47Å; E71-E75 VanDerWaalsContact O-CB 3.25Å; E71-E75 WeakPolarHBondContact O-CB 3.42Å; E71-E75 PolarHBondContact O-N 3.06Å; Y73-E75 VanDerWaalsContact C-N 3.27Å; Y73-E75 PolarHBondContact O-N 3.29Å; E75-R500 IonicContact OE1-CZ 3.83Å; E75-R500 IonicContact OE1-NH1 3.68Å; E75-R500 PolarHBondContact OE1-NH1 3.34Å; E75-R500 IonicContact OE1-NH2 3.82Å; E75-R500 PolarHBondContact OE1-NH2 2.82Å; E75-R500 IonicContact OE2-CZ 2.6Å; E75-R500 IonicContact OE2-NH1 2.66Å; E75-R500 IonicContact OE2-NH2 3.72Å; E75-R500 PolarHBondContact OE2-NH2 2.59Å |
| 76 | T | 91.6 | Very high | 92.9 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 7% | 0.067 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -102.9 | -43.5 | -169.8 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | V13 Y63 L72 V312 | V13-T76 HydrophobicContact CG1-CG2 3.71Å; V13-T76 HydrophobicContact CG2-CG2 4.11Å; Y63-T76 PolarHBondContact OH-OG1 3.34Å; L72-T76 WeakPolarHBondContact O-CB 3.35Å; L72-T76 PolarHBondContact O-N 3.24Å; L72-T76 VanDerWaalsContact O-N 3.1Å; T76-V312 HydrophobicContact CG2-CG1 3.65Å |
| 77 | F | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -92.6 | -34.5 | -167.9 | -54 | -40.5 | 0 | 0 | 0 | 113.3 | L72 Y73 L80 V81 I92 T105 V118 V312 V314 | L72-F77 HydrophobicContact CD1-CE2 4.19Å; L72-F77 HydrophobicContact CD1-CZ 4.01Å; L72-F77 HydrophobicContact CD2-CE2 3.89Å; L72-F77 HydrophobicContact CD2-CZ 4.13Å; L72-F77 HydrophobicContact CG-CD2 4.39Å; L72-F77 HydrophobicContact CG-CE2 3.56Å; L72-F77 HydrophobicContact CG-CZ 3.87Å; Y73-F77 HydrophobicContact CD2-CB 3.89Å; Y73-F77 HydrophobicContact CD2-CD2 4.01Å; Y73-F77 HydrophobicContact CD2-CG 4.48Å; Y73-F77 HydrophobicContact CE2-CB 4.06Å; Y73-F77 HydrophobicContact CG-CB 4.45Å; Y73-F77 PolarHBondContact O-N 3.31Å; F77-L80 WeakPolarHBondContact O-CB 3.27Å; F77-L80 PolarHBondContact O-N 2.98Å; F77-V81 PolarHBondContact O-N 3.49Å; F77-I92 HydrophobicContact CB-CD1 3.96Å; F77-I92 HydrophobicContact CD1-CD1 3.81Å; F77-I92 HydrophobicContact CD1-CG1 4.45Å; F77-I92 HydrophobicContact CD1-CG2 4.07Å; F77-I92 HydrophobicContact CE1-CG2 3.84Å; F77-I92 HydrophobicContact CG-CD1 3.99Å; F77-I92 HydrophobicContact CZ-CG2 4.45Å; F77-T105 HydrophobicContact CZ-CG2 4.4Å; F77-V118 HydrophobicContact CB-CG2 3.81Å; F77-V118 HydrophobicContact CD1-CG2 4.34Å; F77-V118 HydrophobicContact CD2-CB 3.54Å; F77-V118 HydrophobicContact CD2-CG1 4.48Å; F77-V118 HydrophobicContact CD2-CG2 3.32Å; F77-V118 HydrophobicContact CE2-CB 3.69Å; F77-V118 HydrophobicContact CE2-CG1 4.27Å; F77-V118 HydrophobicContact CE2-CG2 3.93Å; F77-V118 HydrophobicContact CG-CB 4.28Å; F77-V118 HydrophobicContact CG-CG2 3.58Å; F77-V312 HydrophobicContact CD1-CG1 4.16Å; F77-V312 HydrophobicContact CE1-CG1 3.88Å; F77-V314 HydrophobicContact CE1-CG2 3.57Å; F77-V314 HydrophobicContact CZ-CG2 3.55Å |
| 78 | R | 93.6 | Very high | 92.8 | Very high | 22 Ų | 22 | 29 Ų | 29 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -51.9 | -51.4 | 179.6 | 170.5 | 177.6 | -63.6 | -85.3 | 14.4 | 112.9 | Y73 D74 L80 V81 D82 H125 E486 | Y73-R78 HydrophobicContact CD1-CB 4.33Å; Y73-R78 HydrophobicContact CE1-CB 4Å; Y73-R78 WeakPolarHBondContact O-CB 3.35Å; Y73-R78 PolarHBondContact O-N 3.46Å; D74-R78 IonicContact OD1-CZ 2.78Å; D74-R78 VanDerWaalsContact OD1-CZ 3.24Å; D74-R78 IonicContact OD1-NE 2.81Å; D74-R78 PolarHBondContact OD1-NE 3.03Å; D74-R78 IonicContact OD1-NH2 2.65Å; D74-R78 PolarHBondContact OD1-NH2 2.59Å; R78-L80 PolarHBondContact O-N 3.38Å; R78-L80 VanDerWaalsContact O-N 3.1Å; R78-V81 PolarHBondContact O-N 3.4Å; R78-D82 VanDerWaalsContact C-OD2 3.31Å; R78-D82 WeakPolarHBondContact CG-OD2 3.46Å; R78-D82 VanDerWaalsContact O-CG 3.26Å; R78-D82 PolarHBondContact O-N 2.92Å; R78-H125 PolarHBondContact NH1-CD2 3.07Å; R78-H125 VanDerWaalsContact NH1-CD2 3.29Å; R78-H125 PolarHBondContact NH1-NE2 2.91Å; R78-H125 VanDerWaalsContact NH1-NE2 3.14Å; R78-E486 IonicContact CZ-OE1 3.6Å; R78-E486 IonicContact NH1-OE1 3.82Å; R78-E486 PolarHBondContact NH1-OE1 2.98Å; R78-E486 IonicContact NH2-OE1 3.88Å; R78-E486 PolarHBondContact NH2-OE1 3.3Å |
| 79 | P | 93.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 24.4 Ų | 24.4 | 29% | 0.292 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62 | -23 | 178.2 | -23.4 | 34.7 | 0 | 0 | 0 | 114.9 | D82 S83 | P79-D82 WeakPolarHBondContact CA-OD2 3.36Å; P79-S83 PolarHBondContact O-N 3.23Å; P79-S83 PolarHBondContact O-OG 3.09Å |
| 80 | L | 95.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -76.5 | -46.3 | 173.3 | -170.1 | 79.7 | 0 | 0 | 0 | 110.7 | F77 R78 D82 S83 V84 I92 L241 K310 V312 | F77-L80 WeakPolarHBondContact O-CB 3.27Å; F77-L80 PolarHBondContact O-N 2.98Å; R78-L80 PolarHBondContact O-N 3.38Å; R78-L80 VanDerWaalsContact O-N 3.1Å; L80-D82 VanDerWaalsContact C-N 3.33Å; L80-D82 PolarHBondContact O-N 3.39Å; L80-S83 WeakPolarHBondContact O-CA 3.44Å; L80-S83 VanDerWaalsContact O-CB 3.31Å; L80-S83 WeakPolarHBondContact O-CB 3.28Å; L80-S83 PolarHBondContact O-N 2.98Å; L80-V84 PolarHBondContact O-N 3.46Å; L80-I92 HydrophobicContact CD2-CD1 3.82Å; L80-I92 HydrophobicContact CD2-CG1 3.26Å; L80-L241 HydrophobicContact CD2-CD1 4.33Å; L80-K310 HydrophobicContact CD1-CB 3.33Å; L80-V312 HydrophobicContact CB-CG2 4.49Å; L80-V312 HydrophobicContact CD1-CG2 4.35Å; L80-V312 HydrophobicContact CD2-CG2 4.07Å |
| 81 | V | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | F77 R78 S83 V84 L85 H125 I126 L241 | F77-V81 PolarHBondContact O-N 3.49Å; R78-V81 PolarHBondContact O-N 3.4Å; V81-S83 VanDerWaalsContact C-N 3.27Å; V81-S83 PolarHBondContact O-N 3.46Å; V81-V84 PolarHBondContact O-N 3.16Å; V81-L85 HydrophobicContact CG1-CD1 4.24Å; V81-L85 PolarHBondContact O-N 2.95Å; V81-H125 WeakPolarHBondContact CG1-ND1 3.48Å; V81-I126 HydrophobicContact CG1-CD1 4.27Å; V81-I126 HydrophobicContact CG1-CG1 3.76Å; V81-L241 HydrophobicContact CG2-CD2 4.04Å |
| 82 | D | 93.9 | Very high | 94 | Very high | 44 Ų | 44 | 17.5 Ų | 17.5 | 24% | 0.235 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -53.9 | -44.4 | 169.7 | -67.2 | -41.8 | 0 | 0 | 0 | 111.2 | R78 P79 L80 V84 L85 Q86 H125 | R78-D82 VanDerWaalsContact C-OD2 3.31Å; R78-D82 WeakPolarHBondContact CG-OD2 3.46Å; R78-D82 VanDerWaalsContact O-CG 3.26Å; R78-D82 PolarHBondContact O-N 2.92Å; P79-D82 WeakPolarHBondContact CA-OD2 3.36Å; L80-D82 VanDerWaalsContact C-N 3.33Å; L80-D82 PolarHBondContact O-N 3.39Å; D82-V84 VanDerWaalsContact C-N 3.34Å; D82-V84 PolarHBondContact O-N 2.95Å; D82-L85 PolarHBondContact O-N 3.46Å; D82-Q86 WeakPolarHBondContact O-CG 3.35Å; D82-Q86 PolarHBondContact O-N 2.92Å; D82-H125 IonicContact OD1-CE1 2.74Å; D82-H125 PolarHBondContact OD1-CE1 2.98Å; D82-H125 IonicContact OD1-NE2 2.85Å; D82-H125 PolarHBondContact OD1-NE2 3.19Å |
| 83 | S | 95.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 11% | 0.105 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.7 | -36.1 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | P79 L80 V81 Q86 G87 F88 K310 | P79-S83 PolarHBondContact O-N 3.23Å; P79-S83 PolarHBondContact O-OG 3.09Å; L80-S83 WeakPolarHBondContact O-CA 3.44Å; L80-S83 VanDerWaalsContact O-CB 3.31Å; L80-S83 WeakPolarHBondContact O-CB 3.28Å; L80-S83 PolarHBondContact O-N 2.98Å; V81-S83 VanDerWaalsContact C-N 3.27Å; V81-S83 PolarHBondContact O-N 3.46Å; S83-Q86 PolarHBondContact O-N 2.83Å; S83-G87 PolarHBondContact O-N 3.45Å; S83-F88 WeakPolarHBondContact O-CB 3.35Å; S83-F88 WeakPolarHBondContact O-CD2 3.32Å; S83-F88 PolarHBondContact O-N 2.95Å; S83-K310 PolarHBondContact OG-NZ 3.39Å |
| 84 | V | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.8 | -38.5 | 176.8 | -177 | 0 | 0 | 0 | 0 | 111.6 | L80 V81 D82 Q86 G87 F88 I223 L241 | L80-V84 PolarHBondContact O-N 3.46Å; V81-V84 PolarHBondContact O-N 3.16Å; D82-V84 VanDerWaalsContact C-N 3.34Å; D82-V84 PolarHBondContact O-N 2.95Å; V84-Q86 PolarHBondContact O-N 3.35Å; V84-G87 PolarHBondContact O-N 2.97Å; V84-F88 WeakPolarHBondContact CA-O 3.47Å; V84-I223 HydrophobicContact CG1-CD1 4.11Å; V84-L241 HydrophobicContact CB-CB 4.49Å; V84-L241 HydrophobicContact CG1-CB 4.04Å; V84-L241 HydrophobicContact CG2-CB 4.12Å; V84-L241 HydrophobicContact CG2-CD1 4.28Å |
| 85 | L | 93.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.4 | -28.9 | 173.1 | -72 | 159.1 | 0 | 0 | 0 | 112.3 | V81 D82 G87 I126 H129 I223 | V81-L85 HydrophobicContact CG1-CD1 4.24Å; V81-L85 PolarHBondContact O-N 2.95Å; D82-L85 PolarHBondContact O-N 3.46Å; L85-G87 VanDerWaalsContact C-N 3.32Å; L85-I126 HydrophobicContact CD2-CG1 4.42Å; L85-I126 HydrophobicContact CD2-CG2 4.32Å; L85-H129 HydrophobicContact CD1-CB 3.76Å; L85-H129 HydrophobicContact CD2-CB 4.22Å; L85-I223 HydrophobicContact CD2-CD1 3.93Å; L85-I223 HydrophobicContact CG-CD1 4.36Å |
| 86 | Q | 91.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 15.1 Ų | 15.1 | 43% | 0.43 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 3.5 | 172.3 | -60.7 | -57.5 | -31.1 | 0 | 0 | 114.5 | D82 S83 V84 F88 V346 | D82-Q86 WeakPolarHBondContact O-CG 3.35Å; D82-Q86 PolarHBondContact O-N 2.92Å; S83-Q86 PolarHBondContact O-N 2.83Å; V84-Q86 PolarHBondContact O-N 3.35Å; Q86-F88 HydrophobicContact CB-CD2 4.48Å; Q86-V346 WeakPolarHBondContact O-CG1 3.39Å |
| 87 | G | 92.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 13.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S83 V84 L85 N347 | S83-G87 PolarHBondContact O-N 3.45Å; V84-G87 PolarHBondContact O-N 2.97Å; L85-G87 VanDerWaalsContact C-N 3.32Å; G87-N347 PolarHBondContact O-N 2.72Å; G87-N347 PolarHBondContact O-ND2 3.04Å |
| 88 | F | 94.1 | Very high | 94.2 | Very high | 42 Ų | 42 | 17.6 Ų | 17.6 | 18% | 0.184 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 155.9 | 167.1 | -69.6 | -93 | 0 | 0 | 0 | 111.2 | S83 V84 Q86 G239 P344 R345 V346 | S83-F88 WeakPolarHBondContact O-CB 3.35Å; S83-F88 WeakPolarHBondContact O-CD2 3.32Å; S83-F88 PolarHBondContact O-N 2.95Å; V84-F88 WeakPolarHBondContact CA-O 3.47Å; Q86-F88 HydrophobicContact CB-CD2 4.48Å; F88-G239 WeakPolarHBondContact O-CA 3.18Å; F88-P344 HydrophobicContact CD1-CB 3.94Å; F88-P344 HydrophobicContact CE1-CB 4.25Å; F88-R345 WeakPolarHBondContact CD1-O 3.22Å; F88-R345 VanDerWaalsContact CE1-C 3.48Å; F88-V346 HydrophobicContact CD2-CG2 4.08Å; F88-V346 HydrophobicContact CE1-CG2 4.13Å; F88-V346 HydrophobicContact CE2-CG2 3.58Å; F88-V346 HydrophobicContact CZ-CG2 3.61Å |
| 89 | N | 94.7 | Very high | 93.8 | Very high | 25 Ų | 25 | 19.1 Ų | 19.1 | 13% | 0.134 | 11% | 0.114 | C | C | . | . | trans | -76.9 | 139.9 | 160.8 | -61.5 | -39.5 | 0 | 0 | 0 | 110.3 | K240 N308 A309 K310 N347 | N89-K240 CarbonylContact C-O 3.55Å; N89-K240 WeakPolarHBondContact CA-O 3.47Å; N89-K240 PolarHBondContact OD1-N 3.43Å; N89-N308 WeakPolarHBondContact CB-O 3.42Å; N89-N308 PolarHBondContact ND2-O 2.94Å; N89-A309 HydrophobicContact CB-CB 3.73Å; N89-A309 WeakPolarHBondContact O-CA 3.05Å; N89-K310 PolarHBondContact O-N 2.95Å; N89-N347 PolarHBondContact ND2-ND2 3.21Å; N89-N347 PolarHBondContact OD1-ND2 3.11Å | ||
| 90 | G | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K240 L241 N242 K310 | G90-K240 PolarHBondContact N-O 2.68Å; G90-L241 CarbonylContact O-C 3.4Å; G90-L241 VanDerWaalsContact O-CA 3.29Å; G90-L241 WeakPolarHBondContact O-CA 3.19Å; G90-N242 PolarHBondContact O-N 2.9Å; G90-K310 CarbonylContact C-O 3.55Å; G90-K310 VanDerWaalsContact CA-O 3.31Å; G90-K310 WeakPolarHBondContact CA-O 3.21Å |
| 91 | T | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.3 | 173.7 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | F93 N242 V244 L301 S304 K310 T311 V312 | T91-F93 HydrophobicContact CG2-CD1 4.31Å; T91-N242 CarbonylContact C-O 3.54Å; T91-N242 WeakPolarHBondContact CA-O 3.25Å; T91-N242 HydrophobicContact CG2-CB 4.14Å; T91-N242 PolarHBondContact OG1-ND2 3.02Å; T91-V244 HydrophobicContact CG2-CG2 4.35Å; T91-L301 HydrophobicContact CG2-CD2 4.28Å; T91-S304 WeakPolarHBondContact CB-OG 3.1Å; T91-S304 PolarHBondContact OG1-OG 3.23Å; T91-K310 PolarHBondContact N-O 3.06Å; T91-T311 HydrophobicContact CG2-CG2 4.35Å; T91-T311 CarbonylContact O-C 3.55Å; T91-T311 WeakPolarHBondContact O-CA 3.34Å; T91-V312 PolarHBondContact O-N 3.44Å |
| 92 | I | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.5 | 169.5 | -52.2 | 178.5 | 0 | 0 | 0 | 107.2 | F77 L80 M106 V118 L241 N242 L243 V244 V312 V314 | F77-I92 HydrophobicContact CB-CD1 3.96Å; F77-I92 HydrophobicContact CD1-CD1 3.81Å; F77-I92 HydrophobicContact CD1-CG1 4.45Å; F77-I92 HydrophobicContact CD1-CG2 4.07Å; F77-I92 HydrophobicContact CE1-CG2 3.84Å; F77-I92 HydrophobicContact CG-CD1 3.99Å; F77-I92 HydrophobicContact CZ-CG2 4.45Å; L80-I92 HydrophobicContact CD2-CD1 3.82Å; L80-I92 HydrophobicContact CD2-CG1 3.26Å; I92-M106 HydrophobicContact CG2-SD 4.44Å; I92-V118 HydrophobicContact CD1-CG2 3.58Å; I92-V118 HydrophobicContact CG2-CG1 4.49Å; I92-L241 HydrophobicContact CG1-CD1 4.42Å; I92-N242 PolarHBondContact N-O 3.23Å; I92-L243 HydrophobicContact CB-CD2 4.27Å; I92-L243 HydrophobicContact CD1-CD2 4.05Å; I92-L243 HydrophobicContact CG1-CD2 4.48Å; I92-V244 PolarHBondContact O-N 3.18Å; I92-V312 WeakPolarHBondContact CA-O 3.44Å; I92-V314 HydrophobicContact CG2-CG2 4.33Å |
| 93 | F | 96.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.2 | 175.6 | 69.8 | -89.8 | 0 | 0 | 0 | 112.6 | T91 V244 L246 L305 T311 V312 M313 V314 | T91-F93 HydrophobicContact CG2-CD1 4.31Å; F93-V244 WeakPolarHBondContact CA-O 3.43Å; F93-V244 HydrophobicContact CB-CB 3.66Å; F93-V244 HydrophobicContact CB-CG1 4.06Å; F93-V244 HydrophobicContact CB-CG2 4.31Å; F93-L246 HydrophobicContact CD2-CD1 3.86Å; F93-L305 HydrophobicContact CE1-CD2 4.3Å; F93-L305 HydrophobicContact CZ-CD2 4.44Å; F93-T311 HydrophobicContact CD1-CG2 3.99Å; F93-T311 HydrophobicContact CE1-CG2 3.68Å; F93-V312 PolarHBondContact N-O 2.76Å; F93-M313 HydrophobicContact CD2-CG 4.16Å; F93-M313 HydrophobicContact CE1-CB 3.9Å; F93-M313 HydrophobicContact CE1-CG 4.41Å; F93-M313 HydrophobicContact CE2-CB 3.9Å; F93-M313 HydrophobicContact CE2-CE 4.44Å; F93-M313 HydrophobicContact CE2-CG 3.47Å; F93-M313 VanDerWaalsContact CE2-CG 3.47Å; F93-M313 HydrophobicContact CE2-SD 3.97Å; F93-M313 HydrophobicContact CZ-CB 3.55Å; F93-M313 HydrophobicContact CZ-CG 3.63Å; F93-M313 HydrophobicContact CZ-SD 4.04Å; F93-V314 PolarHBondContact O-N 2.78Å |
| 94 | A | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K102 M106 V244 L246 V314 | A94-K102 HydrophobicContact CB-CB 3.88Å; A94-K102 HydrophobicContact CB-CG 4.21Å; A94-M106 HydrophobicContact CB-CG 3.68Å; A94-M106 HydrophobicContact CB-SD 3.81Å; A94-V244 PolarHBondContact N-O 3.43Å; A94-L246 VanDerWaalsContact O-CB 3.3Å; A94-L246 WeakPolarHBondContact O-CB 3.47Å; A94-L246 WeakPolarHBondContact O-CG 3.46Å; A94-L246 PolarHBondContact O-N 2.8Å; A94-V314 WeakPolarHBondContact CA-O 3.43Å |
| 95 | Y | 95.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.3 | -175.6 | 178.2 | -88.1 | 0 | 0 | 0 | 111.1 | L246 L272 M313 V314 N316 T330 Y333 | Y95-L246 HydrophobicContact CD2-CD1 3.82Å; Y95-L246 HydrophobicContact CG-CD1 4.47Å; Y95-L272 HydrophobicContact CD2-CD2 4.43Å; Y95-L272 HydrophobicContact CE2-CD2 4.19Å; Y95-M313 HydrophobicContact CD1-CE 3.54Å; Y95-M313 HydrophobicContact CE1-CE 4.4Å; Y95-M313 HydrophobicContact CG-CE 3.78Å; Y95-V314 PolarHBondContact N-O 2.65Å; Y95-N316 PolarHBondContact O-N 2.97Å; Y95-T330 HydrophobicContact CD1-CG2 4.11Å; Y95-T330 HydrophobicContact CE1-CG2 4.25Å; Y95-Y333 HydrophobicContact CD1-CD1 4.14Å; Y95-Y333 HydrophobicContact CD1-CE1 4.47Å; Y95-Y333 HydrophobicContact CD2-CE1 4.18Å; Y95-Y333 AromaticContact CE1-CD1 3.78Å; Y95-Y333 HydrophobicContact CE1-CD1 3.78Å; Y95-Y333 HydrophobicContact CE1-CD2 4.48Å; Y95-Y333 HydrophobicContact CE1-CE1 4.22Å; Y95-Y333 AromaticContact CE1-CG 3.92Å; Y95-Y333 HydrophobicContact CE1-CG 3.92Å; Y95-Y333 HydrophobicContact CE2-CD1 4.29Å; Y95-Y333 AromaticContact CE2-CE1 3.9Å; Y95-Y333 HydrophobicContact CE2-CE1 3.9Å; Y95-Y333 HydrophobicContact CE2-CE2 4.33Å; Y95-Y333 AromaticContact CE2-CZ 3.93Å; Y95-Y333 HydrophobicContact CG-CE1 4.47Å; Y95-Y333 AromaticContact CZ-CD1 3.86Å; Y95-Y333 AromaticContact CZ-CE1 3.93Å; Y95-Y333 AromaticContact CZ-CG 3.9Å |
| 96 | G | 92.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 137.4 | -177.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K102 S249 | G96-K102 PolarHBondContact O-NZ 3.22Å; G96-S249 WeakPolarHBondContact CA-OG 3.48Å; G96-S249 PolarHBondContact O-N 3.31Å; G96-S249 VanDerWaalsContact O-N 3.16Å; G96-S249 PolarHBondContact O-OG 3.35Å |
| 97 | Q | 89 | Confident | 93.4 | Very high | 21 Ų | 21 | 19.2 Ų | 19.2 | 10% | 0.098 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -60.2 | 152.8 | -177.7 | -173.3 | -164.2 | 26.9 | 0 | 0 | 112.1 | T100 K102 S249 E250 N323 E326 | Q97-T100 HydrophobicContact CB-CG2 3.69Å; Q97-T100 WeakPolarHBondContact O-CB 3.01Å; Q97-T100 WeakPolarHBondContact O-CG2 3.43Å; Q97-T100 PolarHBondContact O-N 2.78Å; Q97-T100 PolarHBondContact O-OG1 2.96Å; Q97-K102 PolarHBondContact O-NZ 3.36Å; Q97-K102 VanDerWaalsContact O-NZ 3.14Å; Q97-S249 PolarHBondContact N-OG 2.89Å; Q97-S249 VanDerWaalsContact N-OG 3.12Å; Q97-E250 WeakPolarHBondContact CA-OE2 3.3Å; Q97-E250 HydrophobicContact CG-CB 4.26Å; Q97-N323 PolarHBondContact NE2-OD1 3.03Å; Q97-N323 VanDerWaalsContact OE1-CG 3.23Å; Q97-N323 PolarHBondContact OE1-OD1 3.28Å; Q97-E326 HydrophobicContact CB-CB 4.14Å; Q97-E326 HydrophobicContact CG-CB 4.2Å; Q97-E326 HydrophobicContact CG-CG 4.24Å |
| 98 | T | 87 | Confident | 93.4 | Very high | 43 Ų | 43 | 20 Ų | 20 | 26% | 0.264 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 139.7 | 167.9 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | T100 S213 G248 E250 | T98-T100 VanDerWaalsContact C-N 3.27Å; T98-T100 PolarHBondContact O-N 2.87Å; T98-S213 WeakPolarHBondContact OG1-CB 3.42Å; T98-G248 WeakPolarHBondContact OG1-CA 3.48Å; T98-E250 WeakPolarHBondContact CB-OE1 3.25Å; T98-E250 PolarHBondContact N-OE2 3.19Å; T98-E250 PolarHBondContact OG1-OE1 3.41Å; T98-E250 PolarHBondContact OG1-OE2 3.32Å |
| 99 | G | 85.3 | Confident | 93.1 | Very high | 54 Ų | 54 | 20.9 Ų | 20.9 | 56% | 0.557 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 5.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R17 | R17-G99 PolarHBondContact NE-O 3.45Å; R17-G99 PolarHBondContact NH2-O 2.9Å |
| 100 | T | 90.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -79.5 | -17.8 | 173.5 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | R17 Q97 T98 N316 | R17-T100 WeakPolarHBondContact CG-O 3.45Å; Q97-T100 HydrophobicContact CB-CG2 3.69Å; Q97-T100 WeakPolarHBondContact O-CB 3.01Å; Q97-T100 WeakPolarHBondContact O-CG2 3.43Å; Q97-T100 PolarHBondContact O-N 2.78Å; Q97-T100 PolarHBondContact O-OG1 2.96Å; T98-T100 VanDerWaalsContact C-N 3.27Å; T98-T100 PolarHBondContact O-N 2.87Å; T100-N316 WeakPolarHBondContact CB-O 3.36Å; T100-N316 WeakPolarHBondContact OG1-CB 3.31Å; T100-N316 PolarHBondContact OG1-O 2.9Å |
| 101 | G | 91.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 30 Ų | 30 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 115.1 | 24 | 176 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y104 T105 | G101-Y104 PolarHBondContact O-N 2.99Å; G101-T105 WeakPolarHBondContact O-CB 3.48Å; G101-T105 PolarHBondContact O-N 3.07Å; G101-T105 PolarHBondContact O-OG1 2.91Å |
| 102 | K | 93.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.6 | -66.1 | 173.3 | -60.6 | -170.4 | -65.1 | -80 | 0 | 112.3 | A94 G96 Q97 Y104 T105 M106 D245 L246 A247 N316 | A94-K102 HydrophobicContact CB-CB 3.88Å; A94-K102 HydrophobicContact CB-CG 4.21Å; G96-K102 PolarHBondContact O-NZ 3.22Å; Q97-K102 PolarHBondContact O-NZ 3.36Å; Q97-K102 VanDerWaalsContact O-NZ 3.14Å; K102-Y104 VanDerWaalsContact C-N 3.26Å; K102-Y104 PolarHBondContact O-N 3.23Å; K102-T105 WeakPolarHBondContact O-CA 3.44Å; K102-T105 WeakPolarHBondContact O-CB 3.44Å; K102-T105 PolarHBondContact O-N 3.05Å; K102-M106 PolarHBondContact O-N 3.02Å; K102-D245 WeakPolarHBondContact CB-OD1 3.43Å; K102-L246 WeakPolarHBondContact CE-O 3.24Å; K102-A247 WeakPolarHBondContact CE-O 3.39Å; K102-A247 PolarHBondContact NZ-O 2.83Å; K102-N316 WeakPolarHBondContact CA-OD1 3.4Å; K102-N316 HydrophobicContact CG-CB 4.16Å |
| 103 | T | 92.1 | Very high | 90 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 31% | 0.307 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.1 | -32.1 | 177.1 | -41 | 0 | 0 | 0 | 0 | 112.9 | T105 M106 E107 G108 D245 | T103-T105 VanDerWaalsContact C-N 3.3Å; T103-T105 PolarHBondContact O-N 3.32Å; T103-M106 PolarHBondContact O-N 2.71Å; T103-E107 HydrophobicContact CG2-CB 4.43Å; T103-E107 PolarHBondContact O-N 3.35Å; T103-G108 PolarHBondContact O-N 2.89Å; T103-G108 VanDerWaalsContact O-N 3.17Å; T103-D245 WeakPolarHBondContact CA-OD1 3.02Å; T103-D245 WeakPolarHBondContact CB-OD2 3.26Å; T103-D245 WeakPolarHBondContact CG2-OD2 3.41Å; T103-D245 PolarHBondContact N-OD1 2.93Å; T103-D245 VanDerWaalsContact N-OD1 3.08Å; T103-D245 PolarHBondContact OG1-OD1 3.27Å; T103-D245 PolarHBondContact OG1-OD2 2.85Å |
| 104 | Y | 93.9 | Very high | 89.5 | Confident | 96 Ų | 96 | 42.6 Ų | 42.6 | 38% | 0.376 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -31.4 | 172 | 179.6 | -94.6 | 0 | 0 | 0 | 112.5 | Q69 G101 K102 G108 V109 | Q69-Y104 PolarHBondContact NE2-O 2.74Å; G101-Y104 PolarHBondContact O-N 2.99Å; K102-Y104 VanDerWaalsContact C-N 3.26Å; K102-Y104 PolarHBondContact O-N 3.23Å; Y104-G108 WeakPolarHBondContact O-CA 3.37Å; Y104-G108 PolarHBondContact O-N 3.42Å; Y104-V109 HydrophobicContact CD2-CG2 4.33Å; Y104-V109 HydrophobicContact CE2-CG2 3.89Å |
| 105 | T | 95.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.2 | -41.3 | 174.2 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | R15 L72 F77 G101 K102 T103 G117 V118 V314 N316 | R15-T105 PolarHBondContact NH1-OG1 3.5Å; L72-T105 HydrophobicContact CD2-CG2 3.76Å; F77-T105 HydrophobicContact CZ-CG2 4.4Å; G101-T105 WeakPolarHBondContact O-CB 3.48Å; G101-T105 PolarHBondContact O-N 3.07Å; G101-T105 PolarHBondContact O-OG1 2.91Å; K102-T105 WeakPolarHBondContact O-CA 3.44Å; K102-T105 WeakPolarHBondContact O-CB 3.44Å; K102-T105 PolarHBondContact O-N 3.05Å; T103-T105 VanDerWaalsContact C-N 3.3Å; T103-T105 PolarHBondContact O-N 3.32Å; T105-G117 CarbonylContact O-C 3.59Å; T105-G117 VanDerWaalsContact O-CA 3.26Å; T105-G117 WeakPolarHBondContact O-CA 3.34Å; T105-V118 PolarHBondContact O-N 2.94Å; T105-V314 HydrophobicContact CG2-CG1 4.18Å; T105-N316 PolarHBondContact OG1-ND2 2.82Å |
| 106 | M | 95.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.4 | -57.4 | -178.4 | -62 | -52.7 | -66.5 | 0 | 0 | 112.9 | I92 A94 K102 T103 G117 V118 I119 L243 D245 | I92-M106 HydrophobicContact CG2-SD 4.44Å; A94-M106 HydrophobicContact CB-CG 3.68Å; A94-M106 HydrophobicContact CB-SD 3.81Å; K102-M106 PolarHBondContact O-N 3.02Å; T103-M106 PolarHBondContact O-N 2.71Å; M106-G117 CarbonylContact O-C 3.6Å; M106-V118 HydrophobicContact CE-CG1 3.87Å; M106-V118 PolarHBondContact O-N 3.47Å; M106-V118 VanDerWaalsContact O-N 3.11Å; M106-V118 HydrophobicContact SD-CG1 3.61Å; M106-I119 HydrophobicContact CB-CD1 3.95Å; M106-I119 HydrophobicContact CB-CG1 4.44Å; M106-I119 HydrophobicContact CE-CD1 4.29Å; M106-I119 HydrophobicContact CE-CG1 4.2Å; M106-I119 VanDerWaalsContact O-CB 3.31Å; M106-I119 WeakPolarHBondContact O-CB 3.32Å; M106-I119 VanDerWaalsContact O-CG1 3.29Å; M106-I119 WeakPolarHBondContact O-CG1 3.2Å; M106-I119 PolarHBondContact O-N 3.26Å; M106-L243 HydrophobicContact CE-CB 3.88Å; M106-L243 HydrophobicContact CE-CD2 4.1Å; M106-D245 HydrophobicContact CB-CB 4.29Å; M106-D245 HydrophobicContact CG-CB 4.01Å |
| 107 | E | 92.9 | Very high | 89.2 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -41.7 | -177.3 | 177.4 | 169.8 | 159.5 | 0 | 0 | 112.6 | T103 R110 G117 M194 N198 | T103-E107 HydrophobicContact CG2-CB 4.43Å; T103-E107 PolarHBondContact O-N 3.35Å; E107-R110 IonicContact OE1-CZ 3.95Å; E107-R110 IonicContact OE1-NE 2.71Å; E107-R110 PolarHBondContact OE1-NE 3.47Å; E107-R110 IonicContact OE1-NH2 3.11Å; E107-R110 PolarHBondContact OE1-NH2 2.9Å; E107-R110 IonicContact OE2-NH2 2.82Å; E107-G117 WeakPolarHBondContact O-CA 3.18Å; E107-G117 PolarHBondContact O-N 3.17Å; E107-M194 HydrophobicContact CB-CE 3.82Å; E107-M194 HydrophobicContact CG-CE 3.57Å; E107-N198 VanDerWaalsContact CD-ND2 3.28Å; E107-N198 PolarHBondContact OE1-ND2 2.62Å; E107-N198 PolarHBondContact OE2-ND2 2.79Å |
| 108 | G | 92 | Very high | 89.6 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | 75.7 | -147.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T103 Y104 K115 | T103-G108 PolarHBondContact O-N 2.89Å; T103-G108 VanDerWaalsContact O-N 3.17Å; Y104-G108 WeakPolarHBondContact O-CA 3.37Å; Y104-G108 PolarHBondContact O-N 3.42Å; G108-K115 CarbonylContact C-O 3.55Å; G108-K115 VanDerWaalsContact CA-O 3.23Å; G108-K115 WeakPolarHBondContact CA-O 3.4Å |
| 109 | V | 87.6 | Confident | 90 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | trans | -103.5 | 122.8 | 178 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | Y104 D112 K115 | Y104-V109 HydrophobicContact CD2-CG2 4.33Å; Y104-V109 HydrophobicContact CE2-CG2 3.89Å; V109-D112 HydrophobicContact CB-CB 4.2Å; V109-D112 HydrophobicContact CG1-CB 4.02Å; V109-K115 HydrophobicContact CB-CB 3.8Å; V109-K115 HydrophobicContact CG2-CB 3.89Å; V109-K115 HydrophobicContact CG2-CD 4.07Å; V109-K115 PolarHBondContact N-O 3.29Å | ||
| 110 | R | 77.3 | Confident | 90.4 | Very high | 142 Ų | 142 | 44.6 Ų | 44.6 | 54% | 0.536 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 138.5 | 176.7 | -61.3 | -171 | -168.3 | 167.5 | 14.8 | 110.8 | E107 D112 N195 N198 | E107-R110 IonicContact OE1-CZ 3.95Å; E107-R110 IonicContact OE1-NE 2.71Å; E107-R110 PolarHBondContact OE1-NE 3.47Å; E107-R110 IonicContact OE1-NH2 3.11Å; E107-R110 PolarHBondContact OE1-NH2 2.9Å; E107-R110 IonicContact OE2-NH2 2.82Å; R110-D112 PolarHBondContact O-N 2.91Å; R110-N195 PolarHBondContact NH1-OD1 3.21Å; R110-N198 PolarHBondContact NH2-ND2 3.49Å; R110-N198 VanDerWaalsContact NH2-ND2 3.11Å |
| 111 | G | 74.2 | Confident | 90.6 | Very high | 74 Ų | 74 | 45.7 Ų | 45.7 | 76% | 0.763 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -7.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P113 | G111-P113 WeakPolarHBondContact O-CD 3.47Š|
| 112 | D | 86.4 | Confident | 90.8 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | trans | -107.1 | 104.1 | 178.3 | -177 | -28.4 | 0 | 0 | 0 | 110.1 | V109 R110 E114 K115 R116 | V109-D112 HydrophobicContact CB-CB 4.2Å; V109-D112 HydrophobicContact CG1-CB 4.02Å; R110-D112 PolarHBondContact O-N 2.91Å; D112-E114 VanDerWaalsContact C-N 3.28Å; D112-E114 PolarHBondContact O-N 2.87Å; D112-E114 PolarHBondContact OD1-N 3.42Å; D112-E114 VanDerWaalsContact OD1-N 3.12Å; D112-K115 HydrophobicContact CB-CB 4.13Å; D112-K115 PolarHBondContact O-N 3.17Å; D112-K115 VanDerWaalsContact O-N 3.09Å; D112-K115 PolarHBondContact OD1-N 3.38Å; D112-K115 IonicContact OD1-NZ 2.79Å; D112-K115 VanDerWaalsContact OD2-CD 3.3Å; D112-K115 WeakPolarHBondContact OD2-CD 3.34Å; D112-K115 WeakPolarHBondContact OD2-CE 3.2Å; D112-K115 IonicContact OD2-NZ 3.95Å; D112-K115 PolarHBondContact OD2-NZ 3.43Å; D112-R116 PolarHBondContact O-N 3Å; D112-R116 VanDerWaalsContact O-N 3.15Å | ||
| 113 | P | 83.8 | Confident | 90.9 | Very high | 89 Ų | 89 | 44.3 Ų | 44.3 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -57.5 | -34.7 | -176.4 | -26.2 | 35.9 | 0 | 0 | 0 | 114.6 | G111 K115 | G111-P113 WeakPolarHBondContact O-CD 3.47Å; P113-K115 VanDerWaalsContact C-N 3.28Å; P113-K115 PolarHBondContact O-N 3.27Å |
| 114 | E | 86.8 | Confident | 90.9 | Very high | 136 Ų | 136 | 45.8 Ų | 45.8 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -74.4 | -23 | -179.5 | -61.2 | -163.6 | 148.5 | 0 | 0 | 112.6 | D112 | D112-E114 VanDerWaalsContact C-N 3.28Å; D112-E114 PolarHBondContact O-N 2.87Å; D112-E114 PolarHBondContact OD1-N 3.42Å; D112-E114 VanDerWaalsContact OD1-N 3.12Å |
| 115 | K | 90.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -107.9 | 5.4 | -175 | -61.1 | -172.8 | -164.4 | 68.3 | 0 | 114.2 | Q69 G108 V109 D112 P113 | Q69-K115 PolarHBondContact NE2-O 2.99Å; G108-K115 CarbonylContact C-O 3.55Å; G108-K115 VanDerWaalsContact CA-O 3.23Å; G108-K115 WeakPolarHBondContact CA-O 3.4Å; V109-K115 HydrophobicContact CB-CB 3.8Å; V109-K115 HydrophobicContact CG2-CB 3.89Å; V109-K115 HydrophobicContact CG2-CD 4.07Å; V109-K115 PolarHBondContact N-O 3.29Å; D112-K115 HydrophobicContact CB-CB 4.13Å; D112-K115 PolarHBondContact O-N 3.17Å; D112-K115 VanDerWaalsContact O-N 3.09Å; D112-K115 PolarHBondContact OD1-N 3.38Å; D112-K115 IonicContact OD1-NZ 2.79Å; D112-K115 VanDerWaalsContact OD2-CD 3.3Å; D112-K115 WeakPolarHBondContact OD2-CD 3.34Å; D112-K115 WeakPolarHBondContact OD2-CE 3.2Å; D112-K115 IonicContact OD2-NZ 3.95Å; D112-K115 PolarHBondContact OD2-NZ 3.43Å; P113-K115 VanDerWaalsContact C-N 3.28Å; P113-K115 PolarHBondContact O-N 3.27Å |
| 116 | R | 92.6 | Very high | 90.7 | Very high | 65 Ų | 65 | 41.8 Ų | 41.8 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -54.5 | 131.9 | 170.3 | -74.7 | 178.9 | -177.4 | -121.5 | -4.8 | 111.5 | Q69 D112 P120 N121 E191 | Q69-R116 WeakPolarHBondContact CB-O 3.3Å; Q69-R116 WeakPolarHBondContact CG-O 3.37Å; D112-R116 PolarHBondContact O-N 3Å; D112-R116 VanDerWaalsContact O-N 3.15Å; R116-P120 HydrophobicContact CB-CB 4.47Å; R116-P120 HydrophobicContact CB-CG 3.94Å; R116-P120 HydrophobicContact CG-CB 4.48Å; R116-P120 HydrophobicContact CG-CG 4.32Å; R116-N121 PolarHBondContact O-ND2 3.23Å; R116-E191 IonicContact CZ-OE1 2.81Å; R116-E191 IonicContact NH1-OE1 3.25Å; R116-E191 PolarHBondContact NH1-OE1 2.97Å; R116-E191 IonicContact NH2-OE1 3.94Å |
| 117 | G | 95 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | trans | -79.3 | -174.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T105 M106 E107 I119 P120 N121 | T105-G117 CarbonylContact O-C 3.59Å; T105-G117 VanDerWaalsContact O-CA 3.26Å; T105-G117 WeakPolarHBondContact O-CA 3.34Å; M106-G117 CarbonylContact O-C 3.6Å; E107-G117 WeakPolarHBondContact O-CA 3.18Å; E107-G117 PolarHBondContact O-N 3.17Å; G117-I119 VanDerWaalsContact C-N 3.31Å; G117-I119 PolarHBondContact O-N 2.97Å; G117-P120 WeakPolarHBondContact O-CD 3.44Å; G117-P120 WeakPolarHBondContact O-CG 3.46Å; G117-N121 WeakPolarHBondContact O-CB 3.47Å; G117-N121 PolarHBondContact O-N 3.44Å; G117-N121 PolarHBondContact O-ND2 3.42Å | ||
| 118 | V | 96.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -33.6 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | Y73 F77 I92 T105 M106 S122 L243 | Y73-V118 HydrophobicContact CD2-CB 4.39Å; Y73-V118 HydrophobicContact CD2-CG2 3.98Å; Y73-V118 HydrophobicContact CE2-CG2 4.01Å; F77-V118 HydrophobicContact CB-CG2 3.81Å; F77-V118 HydrophobicContact CD1-CG2 4.34Å; F77-V118 HydrophobicContact CD2-CB 3.54Å; F77-V118 HydrophobicContact CD2-CG1 4.48Å; F77-V118 HydrophobicContact CD2-CG2 3.32Å; F77-V118 HydrophobicContact CE2-CB 3.69Å; F77-V118 HydrophobicContact CE2-CG1 4.27Å; F77-V118 HydrophobicContact CE2-CG2 3.93Å; F77-V118 HydrophobicContact CG-CB 4.28Å; F77-V118 HydrophobicContact CG-CG2 3.58Å; I92-V118 HydrophobicContact CD1-CG2 3.58Å; I92-V118 HydrophobicContact CG2-CG1 4.49Å; T105-V118 PolarHBondContact O-N 2.94Å; M106-V118 HydrophobicContact CE-CG1 3.87Å; M106-V118 PolarHBondContact O-N 3.47Å; M106-V118 VanDerWaalsContact O-N 3.11Å; M106-V118 HydrophobicContact SD-CG1 3.61Å; V118-S122 VanDerWaalsContact O-CB 3.3Å; V118-S122 WeakPolarHBondContact O-CB 3.42Å; V118-S122 PolarHBondContact O-N 2.9Å; V118-S122 PolarHBondContact O-OG 3.12Å; V118-L243 HydrophobicContact CG1-CD2 4.25Å; V118-L243 HydrophobicContact CG2-CD2 4.09Å |
| 119 | I | 95.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -62.4 | 178.9 | -62.5 | 170.6 | 0 | 0 | 0 | 110.9 | M106 G117 N121 S122 F123 M194 L243 | M106-I119 HydrophobicContact CB-CD1 3.95Å; M106-I119 HydrophobicContact CB-CG1 4.44Å; M106-I119 HydrophobicContact CE-CD1 4.29Å; M106-I119 HydrophobicContact CE-CG1 4.2Å; M106-I119 VanDerWaalsContact O-CB 3.31Å; M106-I119 WeakPolarHBondContact O-CB 3.32Å; M106-I119 VanDerWaalsContact O-CG1 3.29Å; M106-I119 WeakPolarHBondContact O-CG1 3.2Å; M106-I119 PolarHBondContact O-N 3.26Å; G117-I119 VanDerWaalsContact C-N 3.31Å; G117-I119 PolarHBondContact O-N 2.97Å; I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 2.66Å; I119-S122 WeakPolarHBondContact O-CB 3.4Å; I119-S122 PolarHBondContact O-N 2.77Å; I119-S122 PolarHBondContact O-OG 2.6Å; I119-F123 HydrophobicContact CG2-CE1 3.63Å; I119-F123 HydrophobicContact CG2-CE2 3.91Å; I119-F123 HydrophobicContact CG2-CZ 3.25Å; I119-F123 WeakPolarHBondContact O-CD1 3.23Å; I119-F123 PolarHBondContact O-N 3.31Å; I119-M194 HydrophobicContact CB-CE 4.05Å; I119-M194 HydrophobicContact CB-SD 4.46Å; I119-M194 HydrophobicContact CD1-CE 3.95Å; I119-M194 HydrophobicContact CG2-CE 3.68Å; I119-M194 HydrophobicContact CG2-SD 3.58Å; I119-M194 VanDerWaalsContact CG2-SD 3.58Å; I119-L243 HydrophobicContact CD1-CB 4.3Å; I119-L243 HydrophobicContact CG1-CB 3.85Å; I119-L243 HydrophobicContact CG1-CD1 4.09Å; I119-L243 HydrophobicContact CG1-CD2 4.06Å; I119-L243 HydrophobicContact CG1-CG 4.21Å; I119-L243 HydrophobicContact CG2-CD1 4.41Å |
| 120 | P | 94.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -32.7 | 179.8 | 23.6 | -34.2 | 0 | 0 | 0 | 113.8 | R116 G117 S122 F123 D124 | R116-P120 HydrophobicContact CB-CB 4.47Å; R116-P120 HydrophobicContact CB-CG 3.94Å; R116-P120 HydrophobicContact CG-CB 4.48Å; R116-P120 HydrophobicContact CG-CG 4.32Å; G117-P120 WeakPolarHBondContact O-CD 3.44Å; G117-P120 WeakPolarHBondContact O-CG 3.46Å; P120-S122 VanDerWaalsContact C-N 3.33Å; P120-F123 WeakPolarHBondContact O-CB 3.36Å; P120-F123 PolarHBondContact O-N 3.06Å; P120-D124 PolarHBondContact O-N 3.1Å |
| 121 | N | 94.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.9 | -33.1 | 174 | -69.8 | -35.3 | 0 | 0 | 0 | 112 | Y73 R116 G117 I119 F123 H125 | Y73-N121 HydrophobicContact CD1-CB 4.28Å; Y73-N121 HydrophobicContact CD2-CB 3.46Å; Y73-N121 VanDerWaalsContact CD2-CB 3.46Å; Y73-N121 HydrophobicContact CE1-CB 4.42Å; Y73-N121 HydrophobicContact CE2-CB 3.63Å; Y73-N121 HydrophobicContact CG-CB 3.83Å; R116-N121 PolarHBondContact O-ND2 3.23Å; G117-N121 WeakPolarHBondContact O-CB 3.47Å; G117-N121 PolarHBondContact O-N 3.44Å; G117-N121 PolarHBondContact O-ND2 3.42Å; I119-N121 VanDerWaalsContact C-N 3.32Å; I119-N121 PolarHBondContact O-N 2.66Å; N121-F123 VanDerWaalsContact C-N 3.34Å; N121-H125 WeakPolarHBondContact O-CB 3.41Å; N121-H125 PolarHBondContact O-N 3.27Å; N121-H125 VanDerWaalsContact O-N 3.07Å |
| 122 | S | 96 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.3 | -34.9 | 173.1 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | Y73 V118 I119 P120 I126 | Y73-S122 WeakPolarHBondContact OH-CA 3.34Å; V118-S122 VanDerWaalsContact O-CB 3.3Å; V118-S122 WeakPolarHBondContact O-CB 3.42Å; V118-S122 PolarHBondContact O-N 2.9Å; V118-S122 PolarHBondContact O-OG 3.12Å; I119-S122 WeakPolarHBondContact O-CB 3.4Å; I119-S122 PolarHBondContact O-N 2.77Å; I119-S122 PolarHBondContact O-OG 2.6Å; P120-S122 VanDerWaalsContact C-N 3.33Å; S122-I126 WeakPolarHBondContact O-CB 3.28Å; S122-I126 VanDerWaalsContact O-CD1 3.3Å; S122-I126 WeakPolarHBondContact O-CD1 3.46Å; S122-I126 WeakPolarHBondContact O-CG1 3.38Å; S122-I126 PolarHBondContact O-N 2.9Å |
| 123 | F | 95 | Very high | 91 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -51.6 | 175.9 | -57.4 | -18.2 | 0 | 0 | 0 | 110.9 | I119 P120 N121 H125 I126 F127 V187 I190 E191 M194 F219 I221 | I119-F123 HydrophobicContact CG2-CE1 3.63Å; I119-F123 HydrophobicContact CG2-CE2 3.91Å; I119-F123 HydrophobicContact CG2-CZ 3.25Å; I119-F123 WeakPolarHBondContact O-CD1 3.23Å; I119-F123 PolarHBondContact O-N 3.31Å; P120-F123 WeakPolarHBondContact O-CB 3.36Å; P120-F123 PolarHBondContact O-N 3.06Å; N121-F123 VanDerWaalsContact C-N 3.34Å; F123-H125 PolarHBondContact O-N 3.31Å; F123-I126 PolarHBondContact O-N 2.86Å; F123-F127 VanDerWaalsContact O-CD2 3.28Å; F123-F127 WeakPolarHBondContact O-CD2 3.25Å; F123-F127 PolarHBondContact O-N 3.08Å; F123-V187 HydrophobicContact CB-CG1 4.25Å; F123-I190 HydrophobicContact CB-CG2 3.71Å; F123-I190 HydrophobicContact CD1-CD1 3.7Å; F123-I190 HydrophobicContact CD1-CG1 3.97Å; F123-I190 HydrophobicContact CD1-CG2 3.96Å; F123-I190 HydrophobicContact CD2-CG1 4.43Å; F123-I190 HydrophobicContact CD2-CG2 3.6Å; F123-I190 HydrophobicContact CE1-CD1 3.68Å; F123-I190 HydrophobicContact CE1-CG1 3.74Å; F123-I190 HydrophobicContact CE1-CG2 4.46Å; F123-I190 HydrophobicContact CE2-CG1 4.22Å; F123-I190 HydrophobicContact CE2-CG2 4.14Å; F123-I190 HydrophobicContact CG-CD1 4.37Å; F123-I190 HydrophobicContact CG-CG1 4.32Å; F123-I190 HydrophobicContact CG-CG2 3.49Å; F123-I190 VanDerWaalsContact CG-CG2 3.49Å; F123-I190 HydrophobicContact CZ-CD1 4.32Å; F123-I190 HydrophobicContact CZ-CG1 3.86Å; F123-E191 HydrophobicContact CD2-CG 3.97Å; F123-E191 HydrophobicContact CE2-CG 4.37Å; F123-M194 HydrophobicContact CE2-CB 4.2Å; F123-M194 HydrophobicContact CE2-SD 3.84Å; F123-M194 HydrophobicContact CZ-CB 4.27Å; F123-M194 HydrophobicContact CZ-SD 4.04Å; F123-F219 HydrophobicContact CE1-CD1 4.16Å; F123-F219 AromaticContact CE1-CE1 3.53Å; F123-F219 HydrophobicContact CE1-CE1 3.53Å; F123-F219 HydrophobicContact CE1-CZ 4.07Å; F123-F219 HydrophobicContact CZ-CD1 4.32Å; F123-F219 AromaticContact CZ-CE1 3.65Å; F123-F219 HydrophobicContact CZ-CE1 3.65Å; F123-F219 HydrophobicContact CZ-CE2 4.44Å; F123-F219 AromaticContact CZ-CZ 3.73Å; F123-F219 HydrophobicContact CZ-CZ 3.73Å; F123-I221 HydrophobicContact CD1-CD1 3.78Å; F123-I221 HydrophobicContact CE1-CD1 3.71Å |
| 124 | D | 91.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 38.8 Ų | 38.8 | 43% | 0.433 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 179.2 | -168.2 | 8.4 | 0 | 0 | 0 | 111.2 | P120 I126 F127 T128 | P120-D124 PolarHBondContact O-N 3.1Å; D124-I126 PolarHBondContact O-N 3.08Å; D124-F127 PolarHBondContact O-N 2.77Å; D124-T128 WeakPolarHBondContact O-CB 3.24Å; D124-T128 PolarHBondContact O-N 2.94Å; D124-T128 PolarHBondContact O-OG1 3.26Å; D124-T128 PolarHBondContact OD1-OG1 3.19Å |
| 125 | H | 92.9 | Very high | 90.4 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 6% | 0.06 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 177.6 | -175 | -158 | 0 | 0 | 0 | 113 | Y73 R78 V81 D82 N121 F123 H129 | Y73-H125 HydrophobicContact CE1-CB 4.34Å; Y73-H125 VanDerWaalsContact OH-CB 3.28Å; Y73-H125 WeakPolarHBondContact OH-CB 3.46Å; Y73-H125 PolarHBondContact OH-ND1 2.82Å; R78-H125 PolarHBondContact NH1-CD2 3.07Å; R78-H125 VanDerWaalsContact NH1-CD2 3.29Å; R78-H125 PolarHBondContact NH1-NE2 2.91Å; R78-H125 VanDerWaalsContact NH1-NE2 3.14Å; V81-H125 WeakPolarHBondContact CG1-ND1 3.48Å; D82-H125 IonicContact OD1-CE1 2.74Å; D82-H125 PolarHBondContact OD1-CE1 2.98Å; D82-H125 IonicContact OD1-NE2 2.85Å; D82-H125 PolarHBondContact OD1-NE2 3.19Å; N121-H125 WeakPolarHBondContact O-CB 3.41Å; N121-H125 PolarHBondContact O-N 3.27Å; N121-H125 VanDerWaalsContact O-N 3.07Å; F123-H125 PolarHBondContact O-N 3.31Å; H125-H129 WeakPolarHBondContact O-CB 3.43Å; H125-H129 PolarHBondContact O-N 2.99Å |
| 126 | I | 94 | Very high | 90.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.3 | -51.8 | 179.1 | -71.6 | 161.9 | 0 | 0 | 0 | 111 | V81 L85 S122 F123 D124 T128 H129 I130 V140 I221 I223 L241 | V81-I126 HydrophobicContact CG1-CD1 4.27Å; V81-I126 HydrophobicContact CG1-CG1 3.76Å; L85-I126 HydrophobicContact CD2-CG1 4.42Å; L85-I126 HydrophobicContact CD2-CG2 4.32Å; S122-I126 WeakPolarHBondContact O-CB 3.28Å; S122-I126 VanDerWaalsContact O-CD1 3.3Å; S122-I126 WeakPolarHBondContact O-CD1 3.46Å; S122-I126 WeakPolarHBondContact O-CG1 3.38Å; S122-I126 PolarHBondContact O-N 2.9Å; F123-I126 PolarHBondContact O-N 2.86Å; D124-I126 PolarHBondContact O-N 3.08Å; I126-T128 PolarHBondContact O-N 3.31Å; I126-H129 PolarHBondContact O-N 2.86Å; I126-I130 HydrophobicContact CG2-CD1 3.77Å; I126-I130 VanDerWaalsContact O-CG1 3.25Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 3Å; I126-V140 HydrophobicContact CG2-CG2 4.23Å; I126-I221 HydrophobicContact CD1-CD1 3.75Å; I126-I221 HydrophobicContact CD1-CG2 4.29Å; I126-I223 HydrophobicContact CD1-CD1 3.83Å; I126-I223 HydrophobicContact CG1-CD1 3.87Å; I126-I223 HydrophobicContact CG2-CD1 3.87Å; I126-L241 HydrophobicContact CD1-CD2 4.39Å |
| 127 | F | 92 | Very high | 89.8 | Confident | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.8 | -31.1 | -177.6 | -76.4 | -73.4 | 0 | 0 | 0 | 112.8 | F123 D124 I130 S131 V140 T184 V187 I190 L468 | F123-F127 VanDerWaalsContact O-CD2 3.28Å; F123-F127 WeakPolarHBondContact O-CD2 3.25Å; F123-F127 PolarHBondContact O-N 3.08Å; D124-F127 PolarHBondContact O-N 2.77Å; F127-I130 PolarHBondContact O-N 3Å; F127-S131 WeakPolarHBondContact O-CB 3.39Å; F127-S131 PolarHBondContact O-N 3.45Å; F127-S131 PolarHBondContact O-OG 3.3Å; F127-V140 HydrophobicContact CE1-CG2 4.4Å; F127-V140 HydrophobicContact CZ-CB 4.23Å; F127-V140 HydrophobicContact CZ-CG1 4.15Å; F127-V140 HydrophobicContact CZ-CG2 4.43Å; F127-T184 WeakPolarHBondContact CZ-O 3.34Å; F127-V187 HydrophobicContact CB-CG2 3.73Å; F127-V187 HydrophobicContact CD2-CG2 3.9Å; F127-V187 HydrophobicContact CG-CG2 4.1Å; F127-I190 HydrophobicContact CD2-CG2 4.33Å; F127-I190 HydrophobicContact CE2-CB 4.23Å; F127-I190 HydrophobicContact CE2-CD1 4.47Å; F127-I190 HydrophobicContact CE2-CG2 3.66Å; F127-L468 HydrophobicContact CD1-CD1 4.26Å; F127-L468 HydrophobicContact CE1-CD1 3.75Å |
| 128 | T | 89.3 | Confident | 89.6 | Confident | 34 Ų | 34 | 37 Ų | 37 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.5 | -37.8 | 171.9 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | D124 I126 S131 R132 | D124-T128 WeakPolarHBondContact O-CB 3.24Å; D124-T128 PolarHBondContact O-N 2.94Å; D124-T128 PolarHBondContact O-OG1 3.26Å; D124-T128 PolarHBondContact OD1-OG1 3.19Å; I126-T128 PolarHBondContact O-N 3.31Å; T128-S131 PolarHBondContact O-OG 3.23Å; T128-R132 WeakPolarHBondContact O-CD 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.32Å; T128-R132 PolarHBondContact O-N 2.91Å |
| 129 | H | 89.3 | Confident | 89.3 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -47.8 | 171.4 | -176.5 | -78.2 | 0 | 0 | 0 | 111.3 | L85 H125 I126 S131 R132 S133 Y138 | L85-H129 HydrophobicContact CD1-CB 3.76Å; L85-H129 HydrophobicContact CD2-CB 4.22Å; H125-H129 WeakPolarHBondContact O-CB 3.43Å; H125-H129 PolarHBondContact O-N 2.99Å; I126-H129 PolarHBondContact O-N 2.86Å; H129-S131 VanDerWaalsContact C-N 3.34Å; H129-S131 PolarHBondContact O-N 3.49Å; H129-R132 PolarHBondContact O-N 3.14Å; H129-S133 PolarHBondContact O-N 3.02Å; H129-Y138 PolarHBondContact CE1-OH 3.24Å |
| 130 | I | 88.3 | Confident | 89.3 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 179.9 | -67.3 | 167.9 | 0 | 0 | 0 | 111.4 | I126 F127 R132 S133 Y138 V140 L468 G470 | I126-I130 HydrophobicContact CG2-CD1 3.77Å; I126-I130 VanDerWaalsContact O-CG1 3.25Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 3Å; F127-I130 PolarHBondContact O-N 3Å; I130-R132 PolarHBondContact O-N 3Å; I130-S133 PolarHBondContact O-OG 3.38Å; I130-Y138 HydrophobicContact CB-CD2 4.38Å; I130-Y138 HydrophobicContact CB-CG 4.44Å; I130-Y138 HydrophobicContact CD1-CD1 4.1Å; I130-Y138 HydrophobicContact CD1-CG 4.08Å; I130-Y138 HydrophobicContact CG1-CD1 3.78Å; I130-Y138 HydrophobicContact CG1-CD2 4Å; I130-Y138 HydrophobicContact CG1-CE1 4.15Å; I130-Y138 HydrophobicContact CG1-CE2 4.39Å; I130-Y138 HydrophobicContact CG1-CG 3.67Å; I130-Y138 HydrophobicContact CG2-CD2 3.95Å; I130-Y138 HydrophobicContact CG2-CG 4.1Å; I130-V140 HydrophobicContact CD1-CG2 3.41Å; I130-V140 VanDerWaalsContact CD1-CG2 3.41Å; I130-L468 HydrophobicContact CD1-CD1 4.26Å; I130-L468 HydrophobicContact CG2-CB 3.72Å; I130-L468 HydrophobicContact CG2-CD1 4.17Å; I130-G470 VanDerWaalsContact O-CA 3.25Å; I130-G470 WeakPolarHBondContact O-CA 3.28Å |
| 131 | S | 85.5 | Confident | 89.3 | Confident | 53 Ų | 53 | 37.7 Ų | 37.7 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.8 | -26.7 | 179.9 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | F127 T128 H129 G471 | F127-S131 WeakPolarHBondContact O-CB 3.39Å; F127-S131 PolarHBondContact O-N 3.45Å; F127-S131 PolarHBondContact O-OG 3.3Å; T128-S131 PolarHBondContact O-OG 3.23Å; H129-S131 VanDerWaalsContact C-N 3.34Å; H129-S131 PolarHBondContact O-N 3.49Å; S131-G471 PolarHBondContact O-N 3.06Å |
| 132 | R | 83.2 | Confident | 89.4 | Confident | 66 Ų | 66 | 36.6 Ų | 36.6 | 25% | 0.249 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -99.5 | -16.5 | -175 | -63.6 | 162.2 | 98.6 | -172.5 | 29 | 114.2 | T128 H129 I130 N479 K483 E486 | T128-R132 WeakPolarHBondContact O-CD 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.32Å; T128-R132 PolarHBondContact O-N 2.91Å; H129-R132 PolarHBondContact O-N 3.14Å; I130-R132 PolarHBondContact O-N 3Å; R132-N479 PolarHBondContact NH2-O 3.33Å; R132-K483 VanDerWaalsContact NH2-CB 3.26Å; R132-E486 IonicContact CZ-OE2 3.07Å; R132-E486 IonicContact NH1-OE2 3.7Å; R132-E486 PolarHBondContact NH1-OE2 3.13Å; R132-E486 IonicContact NH2-OE2 2.66Å |
| 133 | S | 83.8 | Confident | 89.5 | Confident | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | trans | -59.5 | 151.3 | 169.1 | 67.3 | 0 | 0 | 0 | 0 | 110.8 | H129 I130 Y138 G470 G471 | H129-S133 PolarHBondContact O-N 3.02Å; I130-S133 PolarHBondContact O-OG 3.38Å; S133-Y138 WeakPolarHBondContact OG-CE2 3.47Å; S133-G470 CarbonylContact O-C 3.57Å; S133-G470 WeakPolarHBondContact O-CA 3.31Å; S133-G471 PolarHBondContact O-N 3.44Å | ||
| 134 | Q | 79.1 | Confident | 89.6 | Confident | 148 Ų | 148 | 37.3 Ų | 37.3 | 69% | 0.692 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -126.2 | 148.9 | 173.2 | -67.7 | -179.5 | -13.2 | 0 | 0 | 107.7 | Q136 | Q134-Q136 PolarHBondContact O-N 3.4Š|
| 135 | N | 79.2 | Confident | 89.7 | Confident | 153 Ų | 153 | 33.7 Ų | 33.7 | 82% | 0.818 | 17% | 0.168 | S | C | * | . | S | Bend | trans | 57.8 | 19.5 | 177.7 | -50.5 | -24.7 | 0 | 0 | 0 | 115.3 | ||
| 136 | Q | 84.6 | Confident | 89.7 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.9 | 179.3 | -68.5 | 174 | -7.9 | 0 | 0 | 110.1 | Q134 Y138 S226 E227 | Q134-Q136 PolarHBondContact O-N 3.4Å; Q136-Y138 HydrophobicContact CB-CD2 4.28Å; Q136-Y138 HydrophobicContact CB-CE2 3.59Å; Q136-Y138 PolarHBondContact OE1-OH 2.98Å; Q136-S226 WeakPolarHBondContact CA-O 3.25Å; Q136-E227 HydrophobicContact CG-CB 4.13Å; Q136-E227 HydrophobicContact CG-CG 4.05Å; Q136-E227 VanDerWaalsContact NE2-CD 3.33Å; Q136-E227 PolarHBondContact NE2-OE1 3.17Å |
| 137 | Q | 85.6 | Confident | 89.6 | Confident | 66 Ų | 66 | 33.2 Ų | 33.2 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.3 | 174.6 | -63.5 | -174.8 | 4.2 | 0 | 0 | 109.9 | C225 S226 L468 | Q137-C225 CarbonylContact O-C 3.53Å; Q137-C225 WeakPolarHBondContact O-CA 3.32Å; Q137-S226 PolarHBondContact N-O 3.33Å; Q137-S226 PolarHBondContact O-N 3.44Å; Q137-L468 WeakPolarHBondContact CA-O 3.35Å |
| 138 | Y | 90.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.6 | -178.7 | -70.9 | -96.9 | 0 | 0 | 0 | 112.3 | H129 I130 S133 Q136 I223 E224 C225 L468 | H129-Y138 PolarHBondContact CE1-OH 3.24Å; I130-Y138 HydrophobicContact CB-CD2 4.38Å; I130-Y138 HydrophobicContact CB-CG 4.44Å; I130-Y138 HydrophobicContact CD1-CD1 4.1Å; I130-Y138 HydrophobicContact CD1-CG 4.08Å; I130-Y138 HydrophobicContact CG1-CD1 3.78Å; I130-Y138 HydrophobicContact CG1-CD2 4Å; I130-Y138 HydrophobicContact CG1-CE1 4.15Å; I130-Y138 HydrophobicContact CG1-CE2 4.39Å; I130-Y138 HydrophobicContact CG1-CG 3.67Å; I130-Y138 HydrophobicContact CG2-CD2 3.95Å; I130-Y138 HydrophobicContact CG2-CG 4.1Å; S133-Y138 WeakPolarHBondContact OG-CE2 3.47Å; Q136-Y138 HydrophobicContact CB-CD2 4.28Å; Q136-Y138 HydrophobicContact CB-CE2 3.59Å; Q136-Y138 PolarHBondContact OE1-OH 2.98Å; Y138-I223 HydrophobicContact CD1-CG2 3.83Å; Y138-I223 HydrophobicContact CE1-CG2 4.28Å; Y138-E224 CarbonylContact C-O 3.53Å; Y138-E224 VanDerWaalsContact CA-O 3.3Å; Y138-E224 WeakPolarHBondContact CA-O 3.33Å; Y138-C225 HydrophobicContact CD1-CB 3.9Å; Y138-C225 HydrophobicContact CE1-CB 3.67Å; Y138-C225 VanDerWaalsContact CZ-SG 3.58Å; Y138-L468 PolarHBondContact N-O 3.46Å; Y138-L468 WeakPolarHBondContact O-CB 3.36Å; Y138-L468 PolarHBondContact O-N 3.13Å |
| 139 | L | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 109.6 | 168 | 177.4 | 66 | 0 | 0 | 0 | 108.6 | V183 E224 L354 L355 F358 | L139-V183 HydrophobicContact CD1-CG1 3.65Å; L139-V183 HydrophobicContact CD1-CG2 4.12Å; L139-E224 HydrophobicContact CB-CB 4.32Å; L139-E224 PolarHBondContact N-O 2.88Å; L139-E224 PolarHBondContact O-N 3.41Å; L139-L354 HydrophobicContact CD2-CB 4.22Å; L139-L354 HydrophobicContact CD2-CD2 4.17Å; L139-L354 HydrophobicContact CD2-CG 4.15Å; L139-L355 HydrophobicContact CB-CB 4.29Å; L139-L355 HydrophobicContact CB-CD1 3.98Å; L139-L355 HydrophobicContact CB-CG 4.38Å; L139-L355 HydrophobicContact CD2-CB 4.18Å; L139-F358 HydrophobicContact CD1-CD2 4.32Å; L139-F358 HydrophobicContact CD1-CE2 4.02Å; L139-F358 HydrophobicContact CD2-CD2 3.82Å; L139-F358 HydrophobicContact CD2-CE2 3.77Å |
| 140 | V | 94.9 | Very high | 88.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129 | 177.9 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | I126 F127 I130 V183 T184 I221 T222 I223 L468 | I126-V140 HydrophobicContact CG2-CG2 4.23Å; F127-V140 HydrophobicContact CE1-CG2 4.4Å; F127-V140 HydrophobicContact CZ-CB 4.23Å; F127-V140 HydrophobicContact CZ-CG1 4.15Å; F127-V140 HydrophobicContact CZ-CG2 4.43Å; I130-V140 HydrophobicContact CD1-CG2 3.41Å; I130-V140 VanDerWaalsContact CD1-CG2 3.41Å; V140-V183 WeakPolarHBondContact O-CA 3.42Å; V140-T184 PolarHBondContact O-N 3.41Å; V140-I221 HydrophobicContact CG1-CG2 3.7Å; V140-T222 WeakPolarHBondContact CA-O 3.41Å; V140-I223 HydrophobicContact CG2-CG2 4.5Å; V140-L468 HydrophobicContact CG2-CD1 4.19Å |
| 141 | R | 95.1 | Very high | 88.9 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.2 | 173.7 | -58.9 | -167.8 | -64 | -83.9 | 4.7 | 111.5 | F182 V183 I221 T222 E224 | R141-F182 CarbonylContact C-O 3.55Å; R141-F182 VanDerWaalsContact CA-O 3.28Å; R141-F182 WeakPolarHBondContact CA-O 3.48Å; R141-V183 HydrophobicContact CG-CG2 4.13Å; R141-I221 CarbonylContact O-C 3.58Å; R141-I221 WeakPolarHBondContact O-CA 3.47Å; R141-T222 PolarHBondContact N-O 3.46Å; R141-T222 PolarHBondContact O-N 2.85Å; R141-E224 IonicContact CZ-OE1 2.73Å; R141-E224 IonicContact NH1-OE1 2.59Å; R141-E224 PolarHBondContact NH1-OE1 2.8Å; R141-E224 IonicContact NH1-OE2 2.93Å; R141-E224 PolarHBondContact NH1-OE2 3.12Å; R141-E224 IonicContact NH2-OE1 3.67Å; R141-E224 PolarHBondContact NH2-OE1 3.43Å |
| 142 | A | 97 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | S181 F182 T184 I190 V193 F219 V220 | A142-S181 WeakPolarHBondContact O-CA 3.33Å; A142-F182 PolarHBondContact N-O 2.88Å; A142-F182 PolarHBondContact O-N 3.45Å; A142-T184 HydrophobicContact CB-CG2 4.24Å; A142-I190 HydrophobicContact CB-CD1 4.03Å; A142-I190 HydrophobicContact CB-CG1 4.02Å; A142-V193 HydrophobicContact CB-CG1 3.99Å; A142-F219 HydrophobicContact CB-CE1 4.06Å; A142-F219 HydrophobicContact CB-CZ 3.84Å; A142-V220 WeakPolarHBondContact CA-O 3.26Å |
| 143 | S | 96.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.3 | 169.6 | -69.3 | 0 | 0 | 0 | 0 | 108.5 | S180 S181 V220 | S143-S180 VanDerWaalsContact CB-O 3.32Å; S143-S180 WeakPolarHBondContact CB-O 3.39Å; S143-S180 PolarHBondContact OG-O 2.89Å; S143-S181 WeakPolarHBondContact OG-CA 3.43Å; S143-S181 VanDerWaalsContact OG-CB 3.27Å; S143-S181 WeakPolarHBondContact OG-CB 3.28Å; S143-S181 PolarHBondContact OG-OG 3.49Å; S143-V220 PolarHBondContact N-O 3.33Å; S143-V220 PolarHBondContact O-N 2.88Å |
| 144 | Y | 96.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 122.4 | -178.8 | -165.3 | -171.6 | 0 | 0 | 0 | 110 | L155 L156 N198 A217 I218 F219 | Y144-L155 HydrophobicContact CD1-CB 4.34Å; Y144-L155 HydrophobicContact CD1-CD1 4.02Å; Y144-L155 HydrophobicContact CD2-CD1 3.82Å; Y144-L155 HydrophobicContact CE1-CD1 3.98Å; Y144-L155 HydrophobicContact CE2-CD1 3.81Å; Y144-L155 HydrophobicContact CG-CB 4.26Å; Y144-L155 HydrophobicContact CG-CD1 3.93Å; Y144-L155 WeakPolarHBondContact O-CB 3.46Å; Y144-L155 PolarHBondContact O-N 2.84Å; Y144-L156 HydrophobicContact CD1-CD2 4.48Å; Y144-N198 PolarHBondContact OH-OD1 2.72Å; Y144-A217 HydrophobicContact CE2-CB 3.93Å; Y144-I218 WeakPolarHBondContact CD2-O 3.09Å; Y144-F219 AromaticContact CD1-CD2 3.61Å; Y144-F219 HydrophobicContact CD1-CD2 3.61Å; Y144-F219 AromaticContact CD1-CE2 3.99Å; Y144-F219 HydrophobicContact CD1-CE2 3.99Å; Y144-F219 HydrophobicContact CD2-CB 3.93Å; Y144-F219 AromaticContact CD2-CD2 3.74Å; Y144-F219 HydrophobicContact CD2-CD2 3.74Å; Y144-F219 HydrophobicContact CD2-CG 4.3Å; Y144-F219 HydrophobicContact CE1-CD2 4.06Å; Y144-F219 HydrophobicContact CE2-CB 4.06Å; Y144-F219 HydrophobicContact CE2-CD2 4.14Å; Y144-F219 AromaticContact CG-CD2 3.46Å; Y144-F219 HydrophobicContact CG-CD2 3.46Å; Y144-F219 VanDerWaalsContact CG-CD2 3.46Å; Y144-F219 HydrophobicContact CG-CE2 4.08Å; Y144-F219 HydrophobicContact CG-CG 4.39Å |
| 145 | L | 95 | Very high | 90.8 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 161.6 | -178.1 | 68.8 | 83.6 | 0 | 0 | 0 | 112.3 | I147 I152 R153 V176 L179 I218 | L145-I147 HydrophobicContact CD1-CG1 3.92Å; L145-I152 HydrophobicContact CB-CG2 4.43Å; L145-I152 HydrophobicContact CD1-CG2 4.41Å; L145-I152 HydrophobicContact CD2-CG2 4.46Å; L145-R153 WeakPolarHBondContact CA-O 3.38Å; L145-R153 WeakPolarHBondContact CB-O 3.23Å; L145-V176 HydrophobicContact CD2-CG2 3.84Å; L145-L179 HydrophobicContact CB-CD1 4.05Å; L145-L179 HydrophobicContact CD2-CD1 4.31Å; L145-L179 HydrophobicContact CD2-CD2 3.91Å; L145-I218 HydrophobicContact CD1-CB 3.81Å; L145-I218 HydrophobicContact CD1-CD1 4.16Å; L145-I218 HydrophobicContact CD1-CG1 4.02Å; L145-I218 HydrophobicContact CG-CB 4.05Å; L145-I218 PolarHBondContact N-O 3.36Å; L145-I218 VanDerWaalsContact N-O 3.07Å; L145-I218 PolarHBondContact O-N 3.23Å |
| 146 | E | 92.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.6 | 173.7 | -176.1 | 169.5 | -125.5 | 0 | 0 | 109.9 | R153 L155 R201 H211 S215 H216 | E146-R153 PolarHBondContact N-O 3.45Å; E146-R153 PolarHBondContact O-N 2.8Å; E146-L155 HydrophobicContact CB-CD1 4.09Å; E146-L155 HydrophobicContact CB-CD2 3.9Å; E146-L155 HydrophobicContact CB-CG 3.99Å; E146-R201 VanDerWaalsContact OE1-CG 3.3Å; E146-R201 WeakPolarHBondContact OE1-CG 3.23Å; E146-R201 IonicContact OE1-NE 3.2Å; E146-R201 PolarHBondContact OE1-NE 3.03Å; E146-H211 IonicContact OE1-CE1 3.23Å; E146-H211 PolarHBondContact OE1-CE1 3.07Å; E146-H211 VanDerWaalsContact OE1-CE1 3.28Å; E146-H211 IonicContact OE1-ND1 3.11Å; E146-H211 PolarHBondContact OE1-ND1 3.03Å; E146-H211 IonicContact OE2-CE1 2.72Å; E146-S215 WeakPolarHBondContact OE1-CB 3.42Å; E146-S215 PolarHBondContact OE1-OG 2.99Å; E146-H216 CarbonylContact C-O 3.58Å; E146-H216 WeakPolarHBondContact CA-O 3.35Å |
| 147 | I | 91.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.5 | 167.5 | -47.6 | 178.8 | 0 | 0 | 0 | 107.3 | L145 E151 I152 S215 H216 I218 K296 L297 L300 | L145-I147 HydrophobicContact CD1-CG1 3.92Å; I147-E151 WeakPolarHBondContact CA-O 3.43Å; I147-I152 HydrophobicContact CG1-CG1 4.47Å; I147-S215 WeakPolarHBondContact O-CA 3.4Å; I147-H216 HydrophobicContact CB-CB 4.29Å; I147-H216 PolarHBondContact N-O 2.89Å; I147-H216 PolarHBondContact O-N 3.11Å; I147-I218 HydrophobicContact CD1-CD1 4.11Å; I147-K296 HydrophobicContact CG2-CB 4.42Å; I147-L297 HydrophobicContact CD1-CB 4.04Å; I147-L297 HydrophobicContact CD1-CD1 4.02Å; I147-L300 HydrophobicContact CD1-CD1 3.78Å |
| 148 | Y | 86.7 | Confident | 91.9 | Very high | 36 Ų | 36 | 27.2 Ų | 27.2 | 14% | 0.141 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 128.7 | 179.1 | 175.5 | -111.8 | 0 | 0 | 0 | 109 | E150 E151 H211 R214 E264 | Y148-E150 VanDerWaalsContact C-N 3.26Å; Y148-E150 PolarHBondContact O-N 2.89Å; Y148-E151 PolarHBondContact N-O 3.46Å; Y148-E151 PolarHBondContact O-N 3.05Å; Y148-H211 AromaticContact CD1-NE2 3.86Å; Y148-H211 AromaticContact CD2-CE1 3.85Å; Y148-H211 AromaticContact CD2-NE2 3.63Å; Y148-H211 AromaticContact CE1-NE2 3.84Å; Y148-H211 AromaticContact CE2-NE2 3.63Å; Y148-H211 AromaticContact CG-CE1 3.94Å; Y148-H211 AromaticContact CG-NE2 3.74Å; Y148-H211 AromaticContact CZ-NE2 3.72Å; Y148-R214 WeakPolarHBondContact CD2-O 3.31Å; Y148-R214 HydrophobicContact CE2-CB 4.5Å; Y148-E264 HydrophobicContact CE2-CG 4.15Å; Y148-E264 PolarHBondContact OH-OE1 3.03Å |
| 149 | Q | 81.6 | Confident | 91.7 | Very high | 58 Ų | 58 | 31.1 Ų | 31.1 | 27% | 0.271 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.9 | -177.4 | -61 | -169.5 | 17.2 | 0 | 0 | 115.6 | E151 E264 K267 | Q149-E151 PolarHBondContact O-N 3.04Å; Q149-E264 HydrophobicContact CG-CG 4.48Å; Q149-K267 HydrophobicContact CB-CD 3.65Å; Q149-K267 HydrophobicContact CG-CD 4.15Å; Q149-K267 PolarHBondContact O-NZ 3.24Å |
| 150 | E | 87.4 | Confident | 91.2 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 16.6 | -171.3 | -67.4 | -60.4 | 103.8 | 0 | 0 | 115.5 | Y148 L270 S271 S295 K296 | Y148-E150 VanDerWaalsContact C-N 3.26Å; Y148-E150 PolarHBondContact O-N 2.89Å; E150-L270 HydrophobicContact CG-CD2 4.19Å; E150-S271 WeakPolarHBondContact OE1-CB 3.33Å; E150-S295 WeakPolarHBondContact OE2-CA 3.41Å; E150-S295 WeakPolarHBondContact OE2-CB 3.3Å; E150-K296 WeakPolarHBondContact O-CG 3.33Å; E150-K296 WeakPolarHBondContact OE2-CG 3.4Å; E150-K296 PolarHBondContact OE2-N 2.66Å |
| 151 | E | 89 | Confident | 90.5 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 36% | 0.355 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.9 | 171.2 | -55.8 | -172 | 122.3 | 0 | 0 | 110.5 | I147 Y148 Q149 R163 | I147-E151 WeakPolarHBondContact CA-O 3.43Å; Y148-E151 PolarHBondContact N-O 3.46Å; Y148-E151 PolarHBondContact O-N 3.05Å; Q149-E151 PolarHBondContact O-N 3.04Å; E151-R163 HydrophobicContact CB-CG 4.49Å; E151-R163 VanDerWaalsContact CD-NE 3.32Å; E151-R163 IonicContact OE1-NE 2.69Å; E151-R163 IonicContact OE2-CZ 2.75Å; E151-R163 IonicContact OE2-NE 2.68Å; E151-R163 PolarHBondContact OE2-NE 2.85Å; E151-R163 IonicContact OE2-NH2 3.96Å; E151-R163 PolarHBondContact OE2-NH2 3.44Å |
| 152 | I | 92.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 130 | 176.2 | -57.2 | 176.9 | 0 | 0 | 0 | 109.1 | L145 I147 R163 L164 L166 V176 K296 L300 | L145-I152 HydrophobicContact CB-CG2 4.43Å; L145-I152 HydrophobicContact CD1-CG2 4.41Å; L145-I152 HydrophobicContact CD2-CG2 4.46Å; I147-I152 HydrophobicContact CG1-CG1 4.47Å; I152-R163 WeakPolarHBondContact O-CA 3.41Å; I152-L164 HydrophobicContact CB-CB 4.3Å; I152-L164 HydrophobicContact CG2-CB 4.16Å; I152-L164 PolarHBondContact O-N 2.81Å; I152-L166 HydrophobicContact CD1-CD1 4.18Å; I152-L166 HydrophobicContact CD1-CD2 3.43Å; I152-L166 VanDerWaalsContact CD1-CD2 3.43Å; I152-L166 HydrophobicContact CD1-CG 3.56Å; I152-V176 HydrophobicContact CD1-CG2 4.23Å; I152-V176 HydrophobicContact CG2-CG1 4.05Å; I152-V176 HydrophobicContact CG2-CG2 4.46Å; I152-K296 HydrophobicContact CD1-CB 4.39Å; I152-K296 HydrophobicContact CG1-CB 4.44Å; I152-L300 HydrophobicContact CD1-CD1 4.03Å |
| 153 | R | 92 | Very high | 89.7 | Confident | 33 Ų | 33 | 44 Ų | 44 | 13% | 0.125 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.8 | 176.2 | 178.3 | 174.4 | 163.7 | -162.5 | -6.1 | 109.9 | L145 E146 Q160 N200 | L145-R153 WeakPolarHBondContact CA-O 3.38Å; L145-R153 WeakPolarHBondContact CB-O 3.23Å; E146-R153 PolarHBondContact N-O 3.45Å; E146-R153 PolarHBondContact O-N 2.8Å; R153-Q160 PolarHBondContact NE-O 2.77Å; R153-N200 PolarHBondContact NH2-O 3.32Å; R153-N200 VanDerWaalsContact NH2-O 3.14Å |
| 154 | D | 94.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.4 | 173.2 | -175.9 | -25.6 | 0 | 0 | 0 | 109.6 | L156 S157 Q160 L164 L179 S180 | D154-L156 VanDerWaalsContact C-N 3.3Å; D154-L156 WeakPolarHBondContact OD1-CA 3.45Å; D154-L156 PolarHBondContact OD1-N 3.29Å; D154-S157 PolarHBondContact OD1-N 3.4Å; D154-Q160 PolarHBondContact O-NE2 3.42Å; D154-Q160 PolarHBondContact O-OE1 3.14Å; D154-L164 HydrophobicContact CB-CD1 3.89Å; D154-L179 HydrophobicContact CB-CD1 4.17Å; D154-S180 VanDerWaalsContact CG-OG 3.24Å; D154-S180 PolarHBondContact OD1-OG 3.38Å; D154-S180 VanDerWaalsContact OD1-OG 3.07Å; D154-S180 WeakPolarHBondContact OD2-CB 3.46Å; D154-S180 PolarHBondContact OD2-N 2.86Å; D154-S180 PolarHBondContact OD2-OG 2.87Å |
| 155 | L | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -79.8 | -11.1 | -179.4 | -66 | 178.2 | 0 | 0 | 0 | 113 | Y144 E146 G197 N200 R201 | Y144-L155 HydrophobicContact CD1-CB 4.34Å; Y144-L155 HydrophobicContact CD1-CD1 4.02Å; Y144-L155 HydrophobicContact CD2-CD1 3.82Å; Y144-L155 HydrophobicContact CE1-CD1 3.98Å; Y144-L155 HydrophobicContact CE2-CD1 3.81Å; Y144-L155 HydrophobicContact CG-CB 4.26Å; Y144-L155 HydrophobicContact CG-CD1 3.93Å; Y144-L155 WeakPolarHBondContact O-CB 3.46Å; Y144-L155 PolarHBondContact O-N 2.84Å; E146-L155 HydrophobicContact CB-CD1 4.09Å; E146-L155 HydrophobicContact CB-CD2 3.9Å; E146-L155 HydrophobicContact CB-CG 3.99Å; L155-G197 WeakPolarHBondContact O-CA 3.48Å; L155-N200 WeakPolarHBondContact O-CB 3.42Å; L155-N200 PolarHBondContact O-ND2 2.68Å; L155-R201 HydrophobicContact CD1-CB 4.33Å; L155-R201 HydrophobicContact CD2-CB 4.12Å |
| 156 | L | 94.3 | Very high | 89.1 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -106.1 | -15.3 | -178.8 | -49.1 | 178.5 | 0 | 0 | 0 | 112.9 | Y144 D154 F182 V193 | Y144-L156 HydrophobicContact CD1-CD2 4.48Å; D154-L156 VanDerWaalsContact C-N 3.3Å; D154-L156 WeakPolarHBondContact OD1-CA 3.45Å; D154-L156 PolarHBondContact OD1-N 3.29Å; L156-F182 HydrophobicContact CB-CD2 4.09Å; L156-F182 HydrophobicContact CB-CE2 3.55Å; L156-F182 HydrophobicContact CB-CZ 4.4Å; L156-F182 HydrophobicContact CD1-CD2 3.73Å; L156-F182 HydrophobicContact CD1-CE2 4.09Å; L156-F182 HydrophobicContact CG-CE2 4.45Å; L156-V193 HydrophobicContact CD1-CG1 3.52Å; L156-V193 HydrophobicContact CD2-CG1 3.7Å; L156-V193 WeakPolarHBondContact CD2-O 3.16Å; L156-V193 HydrophobicContact CG-CG1 4.27Å |
| 157 | S | 91.4 | Very high | 88.9 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -58.4 | 147.1 | 171.6 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | D154 D159 Q160 | D154-S157 PolarHBondContact OD1-N 3.4Å; S157-D159 WeakPolarHBondContact CB-O 3.38Å; S157-D159 PolarHBondContact OG-N 3.29Å; S157-D159 PolarHBondContact OG-O 2.9Å; S157-Q160 PolarHBondContact O-NE2 3.07Å |
| 158 | K | 85.9 | Confident | 88.7 | Confident | 219 Ų | 219 | 54.7 Ų | 54.7 | 95% | 0.952 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71.6 | -35.3 | 168.3 | -64.3 | -174.9 | -178.7 | -178.1 | 0 | 112.1 | Q160 | K158-Q160 PolarHBondContact O-N 2.7Š|
| 159 | D | 86.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | trans | -88.9 | 105.3 | 172.4 | -178.4 | 1.2 | 0 | 0 | 0 | 108.8 | S157 S161 K162 | S157-D159 WeakPolarHBondContact CB-O 3.38Å; S157-D159 PolarHBondContact OG-N 3.29Å; S157-D159 PolarHBondContact OG-O 2.9Å; D159-S161 VanDerWaalsContact C-N 3.35Å; D159-S161 WeakPolarHBondContact OD1-CA 3.22Å; D159-S161 WeakPolarHBondContact OD1-CB 3.34Å; D159-S161 PolarHBondContact OD1-N 3.43Å; D159-S161 PolarHBondContact OD1-OG 2.93Å; D159-K162 PolarHBondContact OD1-N 3.35Å | ||
| 160 | Q | 80.9 | Confident | 88.1 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -88.4 | -2.8 | 178.7 | -70.8 | -65.6 | -49.5 | 0 | 0 | 112.9 | R153 D154 S157 K158 | R153-Q160 PolarHBondContact NE-O 2.77Å; D154-Q160 PolarHBondContact O-NE2 3.42Å; D154-Q160 PolarHBondContact O-OE1 3.14Å; S157-Q160 PolarHBondContact O-NE2 3.07Å; K158-Q160 PolarHBondContact O-N 2.7Å |
| 161 | S | 79.8 | Confident | 87.3 | Confident | 90 Ų | 90 | 65.9 Ų | 65.9 | 63% | 0.629 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -91.5 | -26.1 | 175.7 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | D159 R163 | D159-S161 VanDerWaalsContact C-N 3.35Å; D159-S161 WeakPolarHBondContact OD1-CA 3.22Å; D159-S161 WeakPolarHBondContact OD1-CB 3.34Å; D159-S161 PolarHBondContact OD1-N 3.43Å; D159-S161 PolarHBondContact OD1-OG 2.93Å; S161-R163 PolarHBondContact O-N 3.47Å |
| 162 | K | 87.1 | Confident | 86.4 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | trans | -57.8 | 127.2 | 176.1 | -170.9 | -177.3 | -180 | -168 | 0 | 111.1 | D159 L164 D178 | D159-K162 PolarHBondContact OD1-N 3.35Å; K162-L164 HydrophobicContact CD-CD2 3.81Å; K162-L164 HydrophobicContact CG-CD2 4.09Å; K162-D178 IonicContact NZ-OD2 2.65Å; K162-D178 PolarHBondContact NZ-OD2 3.31Å | ||
| 163 | R | 88.4 | Confident | 85.9 | Confident | 99 Ų | 99 | 66 Ų | 66 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | trans | -91.5 | 143.4 | 166.7 | -56.4 | -46.3 | -158.9 | -170.5 | 7.6 | 109.8 | E151 I152 S161 | E151-R163 HydrophobicContact CB-CG 4.49Å; E151-R163 VanDerWaalsContact CD-NE 3.32Å; E151-R163 IonicContact OE1-NE 2.69Å; E151-R163 IonicContact OE2-CZ 2.75Å; E151-R163 IonicContact OE2-NE 2.68Å; E151-R163 PolarHBondContact OE2-NE 2.85Å; E151-R163 IonicContact OE2-NH2 3.96Å; E151-R163 PolarHBondContact OE2-NH2 3.44Å; I152-R163 WeakPolarHBondContact O-CA 3.41Å; S161-R163 PolarHBondContact O-N 3.47Å | ||
| 164 | L | 92.8 | Very high | 85.7 | Confident | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -109.6 | 147.2 | 179.8 | -58.9 | -171.9 | 0 | 0 | 0 | 112.4 | I152 D154 K162 V176 D178 L179 | I152-L164 HydrophobicContact CB-CB 4.3Å; I152-L164 HydrophobicContact CG2-CB 4.16Å; I152-L164 PolarHBondContact O-N 2.81Å; D154-L164 HydrophobicContact CB-CD1 3.89Å; K162-L164 HydrophobicContact CD-CD2 3.81Å; K162-L164 HydrophobicContact CG-CD2 4.09Å; L164-V176 HydrophobicContact CB-CG1 3.51Å; L164-V176 HydrophobicContact CD1-CG1 3.63Å; L164-V176 HydrophobicContact CG-CG1 4.23Å; L164-D178 HydrophobicContact CD2-CB 4.29Å; L164-L179 HydrophobicContact CD1-CB 4.13Å; L164-L179 HydrophobicContact CD1-CD1 4.05Å |
| 165 | E | 90.8 | Very high | 85.5 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -95.7 | 147.9 | -179.2 | -67.8 | 150.4 | -159.9 | 0 | 0 | 111.1 | K167 K177 | E165-K167 WeakPolarHBondContact OE2-CE 3.42Å; E165-K167 IonicContact OE2-NZ 3.76Å; E165-K177 PolarHBondContact O-N 3.32Å; E165-K177 IonicContact OE2-NZ 3.59Å; E165-K177 PolarHBondContact OE2-NZ 2.99Å | ||
| 166 | L | 91.6 | Very high | 85.5 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130 | 166 | -69.3 | -179.1 | 0 | 0 | 0 | 109.9 | I152 V174 V176 K296 R299 L300 | I152-L166 HydrophobicContact CD1-CD1 4.18Å; I152-L166 HydrophobicContact CD1-CD2 3.43Å; I152-L166 VanDerWaalsContact CD1-CD2 3.43Å; I152-L166 HydrophobicContact CD1-CG 3.56Å; L166-V174 HydrophobicContact CD1-CG1 4.46Å; L166-V174 HydrophobicContact CD2-CG1 4.25Å; L166-V176 HydrophobicContact CD2-CG2 3.78Å; L166-K296 HydrophobicContact CD1-CB 3.99Å; L166-K296 HydrophobicContact CD1-CD 3.85Å; L166-K296 HydrophobicContact CD1-CG 4.48Å; L166-K296 HydrophobicContact CG-CD 4.36Å; L166-R299 HydrophobicContact CD1-CB 3.75Å; L166-L300 HydrophobicContact CD1-CG 4.31Å; L166-L300 HydrophobicContact CD2-CD1 4.07Å; L166-L300 HydrophobicContact CD2-CD2 3.66Å; L166-L300 HydrophobicContact CD2-CG 3.7Å |
| 167 | K | 89.8 | Confident | 85.3 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 27% | 0.265 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 162.6 | 169.5 | -58.6 | -154.3 | 179.6 | -115.5 | 0 | 109.6 | E165 Y175 K177 E602 | E165-K167 WeakPolarHBondContact OE2-CE 3.42Å; E165-K167 IonicContact OE2-NZ 3.76Å; K167-Y175 HydrophobicContact CB-CE1 3.94Å; K167-Y175 PolarHBondContact N-O 3.45Å; K167-Y175 WeakPolarHBondContact O-CD1 3.31Å; K167-Y175 PolarHBondContact O-N 3.09Å; K167-Y175 VanDerWaalsContact O-O 3.06Å; K167-K177 HydrophobicContact CD-CD 3.93Å; K167-K177 HydrophobicContact CG-CB 4.29Å; K167-E602 IonicContact NZ-OE1 2.72Å; K167-E602 PolarHBondContact NZ-OE1 2.72Å |
| 168 | E | 85.6 | Confident | 85.3 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 42% | 0.421 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133 | -172 | -170.2 | 170.5 | 166.6 | 0 | 0 | 107.9 | G173 V174 R299 | E168-G173 WeakPolarHBondContact CA-O 3.45Å; E168-V174 HydrophobicContact CB-CG2 4.4Å; E168-V174 HydrophobicContact CG-CG2 3.93Å; E168-R299 IonicContact OE2-NH2 3.49Å; E168-R299 PolarHBondContact OE2-NH2 2.92Å |
| 169 | R | 81.6 | Confident | 85.7 | Confident | 122 Ų | 122 | 65.7 Ų | 65.7 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.6 | 173.1 | -73.8 | 168.8 | -176.7 | -155.2 | -1.2 | 110.1 | D171 G173 Y175 | R169-D171 WeakPolarHBondContact CB-OD1 3.5Å; R169-D171 PolarHBondContact O-N 3.02Å; R169-G173 PolarHBondContact N-O 3.15Å; R169-G173 WeakPolarHBondContact O-CA 3.47Å; R169-G173 PolarHBondContact O-N 2.84Å; R169-Y175 HydrophobicContact CG-CE1 3.83Å; R169-Y175 PolarHBondContact NE-OH 3.48Å |
| 170 | P | 75.4 | Confident | 86.1 | Confident | 143 Ų | 143 | 63.2 Ų | 63.2 | 93% | 0.929 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25.3 | 178.3 | -23 | 34.6 | 0 | 0 | 0 | 114.8 | ||
| 171 | D | 69.9 | Low | 86.7 | Confident | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -51.4 | 179.7 | 41.4 | 46.4 | 0 | 0 | 0 | 112.7 | R169 | R169-D171 WeakPolarHBondContact CB-OD1 3.5Å; R169-D171 PolarHBondContact O-N 3.02Å |
| 172 | T | 70.4 | Confident | 87.4 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 37% | 0.368 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -17 | -167.8 | -46.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 173 | G | 81.6 | Confident | 87.7 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.8 | -148.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E168 R169 | E168-G173 WeakPolarHBondContact CA-O 3.45Å; R169-G173 PolarHBondContact N-O 3.15Å; R169-G173 WeakPolarHBondContact O-CA 3.47Å; R169-G173 PolarHBondContact O-N 2.84Å |
| 174 | V | 87.9 | Confident | 87.9 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 130.1 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | L166 E168 R299 | L166-V174 HydrophobicContact CD1-CG1 4.46Å; L166-V174 HydrophobicContact CD2-CG1 4.25Å; E168-V174 HydrophobicContact CB-CG2 4.4Å; E168-V174 HydrophobicContact CG-CG2 3.93Å; V174-R299 HydrophobicContact CG1-CB 4.34Å |
| 175 | Y | 90.2 | Very high | 87.7 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159.9 | 178.2 | 72.9 | -77.2 | 0 | 0 | 0 | 112.1 | K167 R169 | K167-Y175 HydrophobicContact CB-CE1 3.94Å; K167-Y175 PolarHBondContact N-O 3.45Å; K167-Y175 WeakPolarHBondContact O-CD1 3.31Å; K167-Y175 PolarHBondContact O-N 3.09Å; K167-Y175 VanDerWaalsContact O-O 3.06Å; R169-Y175 HydrophobicContact CG-CE1 3.83Å; R169-Y175 PolarHBondContact NE-OH 3.48Å |
| 176 | V | 93.4 | Very high | 87.7 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 9% | 0.085 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 122.8 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | L145 I152 L164 L166 L179 L300 | L145-V176 HydrophobicContact CD2-CG2 3.84Å; I152-V176 HydrophobicContact CD1-CG2 4.23Å; I152-V176 HydrophobicContact CG2-CG1 4.05Å; I152-V176 HydrophobicContact CG2-CG2 4.46Å; L164-V176 HydrophobicContact CB-CG1 3.51Å; L164-V176 HydrophobicContact CD1-CG1 3.63Å; L164-V176 HydrophobicContact CG-CG1 4.23Å; L166-V176 HydrophobicContact CD2-CG2 3.78Å; V176-L179 HydrophobicContact CB-CB 3.88Å; V176-L179 HydrophobicContact CB-CD2 4.12Å; V176-L179 HydrophobicContact CG1-CB 3.96Å; V176-L179 HydrophobicContact CG2-CD2 4.35Å; V176-L300 HydrophobicContact CG2-CD1 4.39Å; V176-L300 HydrophobicContact CG2-CD2 3.82Å |
| 177 | K | 91.4 | Very high | 87.7 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 30% | 0.296 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 141.4 | 175.7 | 173.8 | -177.4 | 151.5 | -146.1 | 0 | 110.3 | E165 K167 L179 | E165-K177 PolarHBondContact O-N 3.32Å; E165-K177 IonicContact OE2-NZ 3.59Å; E165-K177 PolarHBondContact OE2-NZ 2.99Å; K167-K177 HydrophobicContact CD-CD 3.93Å; K167-K177 HydrophobicContact CG-CB 4.29Å; K177-L179 PolarHBondContact O-N 2.82Å; K177-L179 VanDerWaalsContact O-N 3.15Å |
| 178 | D | 91.3 | Very high | 87.8 | Confident | 99 Ų | 99 | 65.3 Ų | 65.3 | 53% | 0.529 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 20.1 | -179.1 | -48.9 | -17.3 | 0 | 0 | 0 | 115.6 | K162 L164 S180 | K162-D178 IonicContact NZ-OD2 2.65Å; K162-D178 PolarHBondContact NZ-OD2 3.31Å; L164-D178 HydrophobicContact CD2-CB 4.29Å; D178-S180 PolarHBondContact O-N 3.4Å |
| 179 | L | 93.6 | Very high | 88.2 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | trans | -67.4 | 125.4 | 173.2 | 179.4 | 66.5 | 0 | 0 | 0 | 109.9 | L145 D154 L164 V176 K177 | L145-L179 HydrophobicContact CB-CD1 4.05Å; L145-L179 HydrophobicContact CD2-CD1 4.31Å; L145-L179 HydrophobicContact CD2-CD2 3.91Å; D154-L179 HydrophobicContact CB-CD1 4.17Å; L164-L179 HydrophobicContact CD1-CB 4.13Å; L164-L179 HydrophobicContact CD1-CD1 4.05Å; V176-L179 HydrophobicContact CB-CB 3.88Å; V176-L179 HydrophobicContact CB-CD2 4.12Å; V176-L179 HydrophobicContact CG1-CB 3.96Å; V176-L179 HydrophobicContact CG2-CD2 4.35Å; K177-L179 PolarHBondContact O-N 2.82Å; K177-L179 VanDerWaalsContact O-N 3.15Å | ||
| 180 | S | 93.9 | Very high | 88.8 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | trans | -68.4 | 146.3 | 178.5 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | S143 D154 D178 | S143-S180 VanDerWaalsContact CB-O 3.32Å; S143-S180 WeakPolarHBondContact CB-O 3.39Å; S143-S180 PolarHBondContact OG-O 2.89Å; D154-S180 VanDerWaalsContact CG-OG 3.24Å; D154-S180 PolarHBondContact OD1-OG 3.38Å; D154-S180 VanDerWaalsContact OD1-OG 3.07Å; D154-S180 WeakPolarHBondContact OD2-CB 3.46Å; D154-S180 PolarHBondContact OD2-N 2.86Å; D154-S180 PolarHBondContact OD2-OG 2.87Å; D178-S180 PolarHBondContact O-N 3.4Å | ||
| 181 | S | 93.2 | Very high | 89.7 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | trans | -141.1 | 125.9 | -178.7 | -154.3 | 0 | 0 | 0 | 0 | 109.4 | A142 S143 | A142-S181 WeakPolarHBondContact O-CA 3.33Å; S143-S181 WeakPolarHBondContact OG-CA 3.43Å; S143-S181 VanDerWaalsContact OG-CB 3.27Å; S143-S181 WeakPolarHBondContact OG-CB 3.28Å; S143-S181 PolarHBondContact OG-OG 3.49Å | ||
| 182 | F | 94.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.5 | -174.4 | -72.2 | -100.7 | 0 | 0 | 0 | 109.5 | R141 A142 L156 T184 V193 | R141-F182 CarbonylContact C-O 3.55Å; R141-F182 VanDerWaalsContact CA-O 3.28Å; R141-F182 WeakPolarHBondContact CA-O 3.48Å; A142-F182 PolarHBondContact N-O 2.88Å; A142-F182 PolarHBondContact O-N 3.45Å; L156-F182 HydrophobicContact CB-CD2 4.09Å; L156-F182 HydrophobicContact CB-CE2 3.55Å; L156-F182 HydrophobicContact CB-CZ 4.4Å; L156-F182 HydrophobicContact CD1-CD2 3.73Å; L156-F182 HydrophobicContact CD1-CE2 4.09Å; L156-F182 HydrophobicContact CG-CE2 4.45Å; F182-T184 PolarHBondContact O-N 3.42Å; F182-V193 HydrophobicContact CB-CG2 4.06Å; F182-V193 HydrophobicContact CG-CG2 4.5Å |
| 183 | V | 94.3 | Very high | 92 | Very high | 44 Ų | 44 | 53.4 Ų | 53.4 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.1 | 171.6 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | L139 V140 R141 K466 | L139-V183 HydrophobicContact CD1-CG1 3.65Å; L139-V183 HydrophobicContact CD1-CG2 4.12Å; V140-V183 WeakPolarHBondContact O-CA 3.42Å; R141-V183 HydrophobicContact CG-CG2 4.13Å; V183-K466 HydrophobicContact CG1-CB 4.27Å |
| 184 | T | 93.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | trans | -122.9 | 127.6 | -177.3 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | F127 V140 A142 F182 E189 I190 V193 | F127-T184 WeakPolarHBondContact CZ-O 3.34Å; V140-T184 PolarHBondContact O-N 3.41Å; A142-T184 HydrophobicContact CB-CG2 4.24Å; F182-T184 PolarHBondContact O-N 3.42Å; T184-E189 HydrophobicContact CG2-CB 4.41Å; T184-I190 HydrophobicContact CG2-CB 3.89Å; T184-I190 HydrophobicContact CG2-CG1 4.23Å; T184-V193 HydrophobicContact CG2-CG2 3.97Å | ||
| 185 | K | 88.8 | Confident | 92.8 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | trans | -103.5 | -12.6 | -172.5 | -52.5 | 173.9 | -174.6 | -163.1 | 0 | 114 | E189 S465 L468 | K185-E189 WeakPolarHBondContact CB-OE2 3.43Å; K185-E189 WeakPolarHBondContact CG-OE2 3.4Å; K185-E189 PolarHBondContact N-OE2 2.9Å; K185-S465 VanDerWaalsContact CD-O 3.24Å; K185-S465 WeakPolarHBondContact CD-O 3.44Å; K185-S465 WeakPolarHBondContact CE-O 3.36Å; K185-S465 PolarHBondContact NZ-O 3.23Å; K185-S465 PolarHBondContact NZ-OG 2.93Å; K185-L468 HydrophobicContact CB-CD2 4.07Å; K185-L468 WeakPolarHBondContact O-CD2 3.38Å | ||
| 186 | S | 89.8 | Confident | 92.9 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -151.9 | 162.9 | -179.1 | 68.6 | 0 | 0 | 0 | 0 | 111.8 | K188 E189 I190 | S186-K188 PolarHBondContact O-N 2.95Å; S186-E189 PolarHBondContact O-N 3.07Å; S186-E189 PolarHBondContact OG-N 3.19Å; S186-I190 PolarHBondContact O-N 3.17Å |
| 187 | V | 91.8 | Very high | 92.8 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51 | -42.1 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | F123 F127 E189 I190 E191 | F123-V187 HydrophobicContact CB-CG1 4.25Å; F127-V187 HydrophobicContact CB-CG2 3.73Å; F127-V187 HydrophobicContact CD2-CG2 3.9Å; F127-V187 HydrophobicContact CG-CG2 4.1Å; V187-E189 PolarHBondContact O-N 3.05Å; V187-I190 VanDerWaalsContact O-CG2 3.25Å; V187-I190 WeakPolarHBondContact O-CG2 3.42Å; V187-I190 PolarHBondContact O-N 2.75Å; V187-E191 HydrophobicContact CG1-CG 4.2Å; V187-E191 WeakPolarHBondContact O-CB 3.15Å; V187-E191 VanDerWaalsContact O-CG 3.32Å; V187-E191 WeakPolarHBondContact O-CG 3.46Å; V187-E191 PolarHBondContact O-N 3.35Å |
| 188 | K | 91.8 | Very high | 92.6 | Very high | 169 Ų | 169 | 51.5 Ų | 51.5 | 74% | 0.735 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.5 | -36.3 | 179.8 | -66 | -177.2 | -179.8 | 178.1 | 0 | 113.1 | S186 H192 | S186-K188 PolarHBondContact O-N 2.95Å; K188-H192 WeakPolarHBondContact O-CB 3.47Å; K188-H192 PolarHBondContact O-N 3.42Å |
| 189 | E | 93.9 | Very high | 92.4 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 178 | -73 | 176.5 | -155.7 | 0 | 0 | 111.6 | T184 K185 S186 V187 H192 V193 | T184-E189 HydrophobicContact CG2-CB 4.41Å; K185-E189 WeakPolarHBondContact CB-OE2 3.43Å; K185-E189 WeakPolarHBondContact CG-OE2 3.4Å; K185-E189 PolarHBondContact N-OE2 2.9Å; S186-E189 PolarHBondContact O-N 3.07Å; S186-E189 PolarHBondContact OG-N 3.19Å; V187-E189 PolarHBondContact O-N 3.05Å; E189-H192 WeakPolarHBondContact O-CB 3.46Å; E189-H192 PolarHBondContact O-N 2.93Å; E189-V193 WeakPolarHBondContact O-CG2 3.48Å; E189-V193 PolarHBondContact O-N 3.45Å |
| 190 | I | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.5 | -34.2 | 178 | -164.2 | 164 | 0 | 0 | 0 | 112.3 | F123 F127 A142 T184 S186 V187 H192 V193 M194 F219 I221 | F123-I190 HydrophobicContact CB-CG2 3.71Å; F123-I190 HydrophobicContact CD1-CD1 3.7Å; F123-I190 HydrophobicContact CD1-CG1 3.97Å; F123-I190 HydrophobicContact CD1-CG2 3.96Å; F123-I190 HydrophobicContact CD2-CG1 4.43Å; F123-I190 HydrophobicContact CD2-CG2 3.6Å; F123-I190 HydrophobicContact CE1-CD1 3.68Å; F123-I190 HydrophobicContact CE1-CG1 3.74Å; F123-I190 HydrophobicContact CE1-CG2 4.46Å; F123-I190 HydrophobicContact CE2-CG1 4.22Å; F123-I190 HydrophobicContact CE2-CG2 4.14Å; F123-I190 HydrophobicContact CG-CD1 4.37Å; F123-I190 HydrophobicContact CG-CG1 4.32Å; F123-I190 HydrophobicContact CG-CG2 3.49Å; F123-I190 VanDerWaalsContact CG-CG2 3.49Å; F123-I190 HydrophobicContact CZ-CD1 4.32Å; F123-I190 HydrophobicContact CZ-CG1 3.86Å; F127-I190 HydrophobicContact CD2-CG2 4.33Å; F127-I190 HydrophobicContact CE2-CB 4.23Å; F127-I190 HydrophobicContact CE2-CD1 4.47Å; F127-I190 HydrophobicContact CE2-CG2 3.66Å; A142-I190 HydrophobicContact CB-CD1 4.03Å; A142-I190 HydrophobicContact CB-CG1 4.02Å; T184-I190 HydrophobicContact CG2-CB 3.89Å; T184-I190 HydrophobicContact CG2-CG1 4.23Å; S186-I190 PolarHBondContact O-N 3.17Å; V187-I190 VanDerWaalsContact O-CG2 3.25Å; V187-I190 WeakPolarHBondContact O-CG2 3.42Å; V187-I190 PolarHBondContact O-N 2.75Å; I190-H192 VanDerWaalsContact C-N 3.29Å; I190-H192 PolarHBondContact O-N 3.35Å; I190-V193 PolarHBondContact O-N 2.87Å; I190-M194 PolarHBondContact O-N 3.02Å; I190-F219 HydrophobicContact CD1-CE1 4.15Å; I190-F219 HydrophobicContact CD1-CZ 4.43Å; I190-F219 HydrophobicContact CG1-CE1 4.14Å; I190-F219 HydrophobicContact CG1-CZ 3.93Å; I190-I221 HydrophobicContact CD1-CD1 4.15Å; I190-I221 HydrophobicContact CD1-CG1 4.36Å; I190-I221 HydrophobicContact CD1-CG2 4.36Å |
| 191 | E | 93.3 | Very high | 91.7 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 23% | 0.229 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 167.9 | -77.7 | -177.5 | 162.7 | 0 | 0 | 110.8 | R116 F123 V187 M194 N195 | R116-E191 IonicContact CZ-OE1 2.81Å; R116-E191 IonicContact NH1-OE1 3.25Å; R116-E191 PolarHBondContact NH1-OE1 2.97Å; R116-E191 IonicContact NH2-OE1 3.94Å; F123-E191 HydrophobicContact CD2-CG 3.97Å; F123-E191 HydrophobicContact CE2-CG 4.37Å; V187-E191 HydrophobicContact CG1-CG 4.2Å; V187-E191 WeakPolarHBondContact O-CB 3.15Å; V187-E191 VanDerWaalsContact O-CG 3.32Å; V187-E191 WeakPolarHBondContact O-CG 3.46Å; V187-E191 PolarHBondContact O-N 3.35Å; E191-M194 PolarHBondContact O-N 2.82Å; E191-N195 WeakPolarHBondContact O-CB 3.35Å; E191-N195 PolarHBondContact O-N 2.99Å; E191-N195 PolarHBondContact O-ND2 2.9Å |
| 192 | H | 93.6 | Very high | 90.5 | Very high | 124 Ų | 124 | 52.3 Ų | 52.3 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 174.5 | -175.2 | 72.6 | 0 | 0 | 0 | 112.2 | K188 E189 I190 M194 N195 V196 | K188-H192 WeakPolarHBondContact O-CB 3.47Å; K188-H192 PolarHBondContact O-N 3.42Å; E189-H192 WeakPolarHBondContact O-CB 3.46Å; E189-H192 PolarHBondContact O-N 2.93Å; I190-H192 VanDerWaalsContact C-N 3.29Å; I190-H192 PolarHBondContact O-N 3.35Å; H192-M194 VanDerWaalsContact C-N 3.33Å; H192-M194 PolarHBondContact O-N 3.17Å; H192-N195 PolarHBondContact O-N 2.99Å; H192-N195 VanDerWaalsContact O-N 3.17Å; H192-V196 WeakPolarHBondContact O-CG2 3.3Å; H192-V196 PolarHBondContact O-N 3.21Å |
| 193 | V | 95.3 | Very high | 88.9 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 174.1 | 172 | 0 | 0 | 0 | 0 | 111.3 | A142 L156 F182 T184 E189 I190 N195 V196 G197 F219 | A142-V193 HydrophobicContact CB-CG1 3.99Å; L156-V193 HydrophobicContact CD1-CG1 3.52Å; L156-V193 HydrophobicContact CD2-CG1 3.7Å; L156-V193 WeakPolarHBondContact CD2-O 3.16Å; L156-V193 HydrophobicContact CG-CG1 4.27Å; F182-V193 HydrophobicContact CB-CG2 4.06Å; F182-V193 HydrophobicContact CG-CG2 4.5Å; T184-V193 HydrophobicContact CG2-CG2 3.97Å; E189-V193 WeakPolarHBondContact O-CG2 3.48Å; E189-V193 PolarHBondContact O-N 3.45Å; I190-V193 PolarHBondContact O-N 2.87Å; V193-N195 PolarHBondContact O-N 3.5Å; V193-V196 PolarHBondContact O-N 2.93Å; V193-G197 PolarHBondContact O-N 2.95Å; V193-G197 VanDerWaalsContact O-N 3.08Å; V193-F219 HydrophobicContact CG1-CE2 4.35Å; V193-F219 HydrophobicContact CG1-CZ 4.37Å |
| 194 | M | 93.7 | Very high | 87 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175.4 | -172.4 | -174.2 | -175.9 | 0 | 0 | 112.2 | E107 I119 F123 I190 E191 H192 G197 N198 F219 | E107-M194 HydrophobicContact CB-CE 3.82Å; E107-M194 HydrophobicContact CG-CE 3.57Å; I119-M194 HydrophobicContact CB-CE 4.05Å; I119-M194 HydrophobicContact CB-SD 4.46Å; I119-M194 HydrophobicContact CD1-CE 3.95Å; I119-M194 HydrophobicContact CG2-CE 3.68Å; I119-M194 HydrophobicContact CG2-SD 3.58Å; I119-M194 VanDerWaalsContact CG2-SD 3.58Å; F123-M194 HydrophobicContact CE2-CB 4.2Å; F123-M194 HydrophobicContact CE2-SD 3.84Å; F123-M194 HydrophobicContact CZ-CB 4.27Å; F123-M194 HydrophobicContact CZ-SD 4.04Å; I190-M194 PolarHBondContact O-N 3.02Å; E191-M194 PolarHBondContact O-N 2.82Å; H192-M194 VanDerWaalsContact C-N 3.33Å; H192-M194 PolarHBondContact O-N 3.17Å; M194-G197 PolarHBondContact O-N 3.49Å; M194-N198 WeakPolarHBondContact O-CB 3.3Å; M194-N198 PolarHBondContact O-N 2.83Å; M194-F219 HydrophobicContact CB-CE2 3.89Å; M194-F219 HydrophobicContact CB-CZ 4.37Å; M194-F219 HydrophobicContact CG-CE2 4.25Å |
| 195 | N | 92.1 | Very high | 85.2 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.5 | -79.2 | -54.6 | 0 | 0 | 0 | 112.7 | R110 E191 H192 V193 N198 Q199 | R110-N195 PolarHBondContact NH1-OD1 3.21Å; E191-N195 WeakPolarHBondContact O-CB 3.35Å; E191-N195 PolarHBondContact O-N 2.99Å; E191-N195 PolarHBondContact O-ND2 2.9Å; H192-N195 PolarHBondContact O-N 2.99Å; H192-N195 VanDerWaalsContact O-N 3.17Å; V193-N195 PolarHBondContact O-N 3.5Å; N195-N198 PolarHBondContact O-N 2.85Å; N195-Q199 WeakPolarHBondContact O-CB 3.38Å; N195-Q199 PolarHBondContact O-N 2.98Å |
| 196 | V | 92.5 | Very high | 83.1 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 175.5 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | H192 V193 N198 Q199 N200 | H192-V196 WeakPolarHBondContact O-CG2 3.3Å; H192-V196 PolarHBondContact O-N 3.21Å; V193-V196 PolarHBondContact O-N 2.93Å; V196-N198 VanDerWaalsContact C-N 3.34Å; V196-N198 PolarHBondContact O-N 3.24Å; V196-Q199 WeakPolarHBondContact O-CB 3.3Å; V196-Q199 PolarHBondContact O-N 3.39Å; V196-N200 PolarHBondContact O-N 2.75Å |
| 197 | G | 91.3 | Very high | 80.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L155 V193 M194 Q199 N200 R201 | L155-G197 WeakPolarHBondContact O-CA 3.48Å; V193-G197 PolarHBondContact O-N 2.95Å; V193-G197 VanDerWaalsContact O-N 3.08Å; M194-G197 PolarHBondContact O-N 3.49Å; G197-Q199 PolarHBondContact O-N 2.81Å; G197-N200 PolarHBondContact O-N 3.37Å; G197-R201 WeakPolarHBondContact O-CB 3.25Å; G197-R201 PolarHBondContact O-N 3.03Å |
| 198 | N | 88.3 | Confident | 78.4 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 174 | -85.8 | -21.8 | 0 | 0 | 0 | 113.3 | E107 R110 Y144 M194 N195 V196 R201 S202 | E107-N198 VanDerWaalsContact CD-ND2 3.28Å; E107-N198 PolarHBondContact OE1-ND2 2.62Å; E107-N198 PolarHBondContact OE2-ND2 2.79Å; R110-N198 PolarHBondContact NH2-ND2 3.49Å; R110-N198 VanDerWaalsContact NH2-ND2 3.11Å; Y144-N198 PolarHBondContact OH-OD1 2.72Å; M194-N198 WeakPolarHBondContact O-CB 3.3Å; M194-N198 PolarHBondContact O-N 2.83Å; N195-N198 PolarHBondContact O-N 2.85Å; V196-N198 VanDerWaalsContact C-N 3.34Å; V196-N198 PolarHBondContact O-N 3.24Å; N198-R201 PolarHBondContact O-N 2.8Å; N198-S202 WeakPolarHBondContact O-CB 3.14Å; N198-S202 PolarHBondContact O-N 3.35Å; N198-S202 PolarHBondContact O-OG 2.75Å |
| 199 | Q | 87.4 | Confident | 76 | Confident | 125 Ų | 125 | 58.1 Ų | 58.1 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.5 | -47.7 | 172.2 | -174.3 | 175.1 | -0.9 | 0 | 0 | 110.2 | N195 V196 G197 R201 S202 V203 | N195-Q199 WeakPolarHBondContact O-CB 3.38Å; N195-Q199 PolarHBondContact O-N 2.98Å; V196-Q199 WeakPolarHBondContact O-CB 3.3Å; V196-Q199 PolarHBondContact O-N 3.39Å; G197-Q199 PolarHBondContact O-N 2.81Å; Q199-R201 VanDerWaalsContact C-N 3.33Å; Q199-R201 PolarHBondContact O-N 2.91Å; Q199-S202 PolarHBondContact O-N 3.05Å; Q199-S202 VanDerWaalsContact O-N 3.07Å; Q199-S202 PolarHBondContact O-OG 2.87Å; Q199-V203 WeakPolarHBondContact O-CG2 3.43Å; Q199-V203 PolarHBondContact O-N 3.04Å |
| 200 | N | 87.3 | Confident | 74.1 | Confident | 37 Ų | 37 | 61.5 Ų | 61.5 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 177.5 | -72.8 | -22.2 | 0 | 0 | 0 | 113.2 | R153 L155 V196 G197 | R153-N200 PolarHBondContact NH2-O 3.32Å; R153-N200 VanDerWaalsContact NH2-O 3.14Å; L155-N200 WeakPolarHBondContact O-CB 3.42Å; L155-N200 PolarHBondContact O-ND2 2.68Å; V196-N200 PolarHBondContact O-N 2.75Å; G197-N200 PolarHBondContact O-N 3.37Å |
| 201 | R | 83.8 | Confident | 72.3 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 7% | 0.068 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 169.7 | -162.9 | 177.8 | -174.7 | -157.3 | -1.5 | 111.3 | E146 L155 G197 N198 Q199 G204 A205 S212 S215 A217 D245 | E146-R201 VanDerWaalsContact OE1-CG 3.3Å; E146-R201 WeakPolarHBondContact OE1-CG 3.23Å; E146-R201 IonicContact OE1-NE 3.2Å; E146-R201 PolarHBondContact OE1-NE 3.03Å; L155-R201 HydrophobicContact CD1-CB 4.33Å; L155-R201 HydrophobicContact CD2-CB 4.12Å; G197-R201 WeakPolarHBondContact O-CB 3.25Å; G197-R201 PolarHBondContact O-N 3.03Å; N198-R201 PolarHBondContact O-N 2.8Å; Q199-R201 VanDerWaalsContact C-N 3.33Å; Q199-R201 PolarHBondContact O-N 2.91Å; R201-G204 PolarHBondContact O-N 3.46Å; R201-A205 PolarHBondContact O-N 3.22Å; R201-S212 PolarHBondContact NH2-O 2.87Å; R201-S215 PolarHBondContact NH2-O 3.22Å; R201-S215 PolarHBondContact NH2-OG 3.43Å; R201-A217 VanDerWaalsContact CZ-CB 3.47Å; R201-D245 IonicContact NH1-OD2 3.35Å; R201-D245 PolarHBondContact NH1-OD2 2.7Å |
| 202 | S | 69 | Low | 70.9 | Confident | 62 Ų | 62 | 62.6 Ų | 62.6 | 43% | 0.434 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.8 | -34.6 | -178.9 | 73.5 | 0 | 0 | 0 | 0 | 114.5 | N198 Q199 G204 A205 T206 | N198-S202 WeakPolarHBondContact O-CB 3.14Å; N198-S202 PolarHBondContact O-N 3.35Å; N198-S202 PolarHBondContact O-OG 2.75Å; Q199-S202 PolarHBondContact O-N 3.05Å; Q199-S202 VanDerWaalsContact O-N 3.07Å; Q199-S202 PolarHBondContact O-OG 2.87Å; S202-G204 PolarHBondContact O-N 3.4Å; S202-A205 WeakPolarHBondContact O-CB 3.34Å; S202-A205 PolarHBondContact O-N 2.86Å; S202-T206 PolarHBondContact O-N 3.11Å; S202-T206 VanDerWaalsContact O-N 3.17Å |
| 203 | V | 61.3 | Low | 69.6 | Low | 84 Ų | 84 | 57.5 Ų | 57.5 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65 | -30.4 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | Q199 T206 | Q199-V203 WeakPolarHBondContact O-CG2 3.43Å; Q199-V203 PolarHBondContact O-N 3.04Å; V203-T206 PolarHBondContact O-OG1 3.39Å |
| 204 | G | 54.9 | Low | 68.7 | Low | 19 Ų | 19 | 59.1 Ų | 59.1 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R201 S202 T206 N207 | R201-G204 PolarHBondContact O-N 3.46Å; S202-G204 PolarHBondContact O-N 3.4Å; G204-T206 PolarHBondContact O-N 3.02Å; G204-N207 PolarHBondContact O-N 3.25Å |
| 205 | A | 53.9 | Low | 68.2 | Low | 26 Ų | 26 | 58.7 Ų | 58.7 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R201 S202 N207 M208 N209 H211 | R201-A205 PolarHBondContact O-N 3.22Å; S202-A205 WeakPolarHBondContact O-CB 3.34Å; S202-A205 PolarHBondContact O-N 2.86Å; A205-N207 PolarHBondContact O-N 2.94Å; A205-N207 VanDerWaalsContact O-N 3.12Å; A205-M208 PolarHBondContact O-N 3.23Å; A205-N209 CarbonylContact O-C 3.57Å; A205-N209 PolarHBondContact O-N 2.97Å; A205-H211 HydrophobicContact CB-CB 3.57Å |
| 206 | T | 45.2 | Very low | 68.2 | Low | 116 Ų | 116 | 55.7 Ų | 55.7 | 71% | 0.712 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.8 | -177.7 | 42 | 0 | 0 | 0 | 0 | 114.5 | S202 V203 G204 | S202-T206 PolarHBondContact O-N 3.11Å; S202-T206 VanDerWaalsContact O-N 3.17Å; V203-T206 PolarHBondContact O-OG1 3.39Å; G204-T206 PolarHBondContact O-N 3.02Å |
| 207 | N | 43.1 | Very low | 68.2 | Low | 142 Ų | 142 | 53.6 Ų | 53.6 | 76% | 0.759 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -22.1 | -178 | -99.4 | 0.3 | 0 | 0 | 0 | 115.3 | G204 A205 | G204-N207 PolarHBondContact O-N 3.25Å; A205-N207 PolarHBondContact O-N 2.94Å; A205-N207 VanDerWaalsContact O-N 3.12Å |
| 208 | M | 40.4 | Very low | 68.5 | Low | 110 Ų | 110 | 53.9 Ų | 53.9 | 54% | 0.542 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147 | -20.2 | -177.5 | -75.2 | -163.7 | 94.1 | 0 | 0 | 119.2 | A205 R261 | A205-M208 PolarHBondContact O-N 3.23Å; M208-R261 PolarHBondContact O-NH2 3.28Å; M208-R261 VanDerWaalsContact O-NH2 3.08Å |
| 209 | N | 40.7 | Very low | 68.9 | Low | 83 Ų | 83 | 53.3 Ų | 53.3 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 161.1 | 178.2 | 166 | -97.3 | 13 | 0 | 0 | 0 | 111.2 | A205 H211 R261 | A205-N209 CarbonylContact O-C 3.57Å; A205-N209 PolarHBondContact O-N 2.97Å; N209-H211 PolarHBondContact O-N 2.97Å; N209-R261 PolarHBondContact ND2-NH2 2.88Å; N209-R261 VanDerWaalsContact ND2-NH2 3.2Å; N209-R261 PolarHBondContact OD1-NH2 2.87Å; N209-R261 VanDerWaalsContact OD1-NH2 3.15Å |
| 210 | E | 53.8 | Low | 69.4 | Low | 146 Ų | 146 | 48.1 Ų | 48.1 | 68% | 0.682 | 27% | 0.271 | S | S | * | . | trans | -43.5 | 93.3 | 170.5 | -168.7 | 172.2 | -160.1 | 0 | 0 | 113.4 | S213 | E210-S213 PolarHBondContact O-OG 3.19Å; E210-S213 VanDerWaalsContact O-OG 3.13Å | ||
| 211 | H | 57.6 | Low | 69.8 | Low | 16 Ų | 16 | 46.3 Ų | 46.3 | 7% | 0.074 | 26% | 0.262 | C | S | . | . | trans | -91.8 | -18.6 | -166.4 | -169.1 | -83.5 | 0 | 0 | 0 | 114.4 | E146 Y148 A205 N209 S213 R214 S215 | E146-H211 IonicContact OE1-CE1 3.23Å; E146-H211 PolarHBondContact OE1-CE1 3.07Å; E146-H211 VanDerWaalsContact OE1-CE1 3.28Å; E146-H211 IonicContact OE1-ND1 3.11Å; E146-H211 PolarHBondContact OE1-ND1 3.03Å; E146-H211 IonicContact OE2-CE1 2.72Å; Y148-H211 AromaticContact CD1-NE2 3.86Å; Y148-H211 AromaticContact CD2-CE1 3.85Å; Y148-H211 AromaticContact CD2-NE2 3.63Å; Y148-H211 AromaticContact CE1-NE2 3.84Å; Y148-H211 AromaticContact CE2-NE2 3.63Å; Y148-H211 AromaticContact CG-CE1 3.94Å; Y148-H211 AromaticContact CG-NE2 3.74Å; Y148-H211 AromaticContact CZ-NE2 3.72Å; A205-H211 HydrophobicContact CB-CB 3.57Å; N209-H211 PolarHBondContact O-N 2.97Å; H211-S213 PolarHBondContact O-N 2.81Å; H211-R214 WeakPolarHBondContact O-CA 3.36Å; H211-R214 WeakPolarHBondContact O-CB 3.26Å; H211-R214 PolarHBondContact O-N 2.87Å; H211-S215 PolarHBondContact ND1-OG 3.22Å; H211-S215 PolarHBondContact O-N 2.95Å; H211-S215 PolarHBondContact O-OG 2.79Å | ||
| 212 | S | 62.9 | Low | 70.4 | Confident | 57 Ų | 57 | 46.3 Ų | 46.3 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.7 | -177.3 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | R201 R214 | R201-S212 PolarHBondContact NH2-O 2.87Å; S212-R214 VanDerWaalsContact C-N 3.27Å |
| 213 | S | 67.7 | Low | 71.6 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 12% | 0.119 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9 | 170.5 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | T98 E210 H211 A247 G248 | T98-S213 WeakPolarHBondContact OG1-CB 3.42Å; E210-S213 PolarHBondContact O-OG 3.19Å; E210-S213 VanDerWaalsContact O-OG 3.13Å; H211-S213 PolarHBondContact O-N 2.81Å; S213-A247 WeakPolarHBondContact O-CA 3.47Å; S213-A247 WeakPolarHBondContact O-CB 3.37Å; S213-G248 PolarHBondContact O-N 3.46Å |
| 214 | R | 75.2 | Confident | 73.1 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 19% | 0.189 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -120.7 | 0.4 | -165.1 | -63.6 | -161.6 | -179.5 | -173.3 | -10.7 | 114.4 | Y148 H211 S212 E264 I268 | Y148-R214 WeakPolarHBondContact CD2-O 3.31Å; Y148-R214 HydrophobicContact CE2-CB 4.5Å; H211-R214 WeakPolarHBondContact O-CA 3.36Å; H211-R214 WeakPolarHBondContact O-CB 3.26Å; H211-R214 PolarHBondContact O-N 2.87Å; S212-R214 VanDerWaalsContact C-N 3.27Å; R214-E264 WeakPolarHBondContact CD-OE1 3.22Å; R214-E264 IonicContact CZ-OE1 3.71Å; R214-E264 IonicContact CZ-OE2 3Å; R214-E264 IonicContact NE-OE1 3.95Å; R214-E264 IonicContact NH1-OE1 3.15Å; R214-E264 PolarHBondContact NH1-OE1 3.39Å; R214-E264 IonicContact NH1-OE2 3.16Å; R214-E264 PolarHBondContact NH1-OE2 3.25Å; R214-I268 HydrophobicContact CB-CD1 3.52Å; R214-I268 HydrophobicContact CB-CG1 4.47Å; R214-I268 HydrophobicContact CG-CD1 3.79Å; R214-I268 WeakPolarHBondContact O-CG1 3.47Å |
| 215 | S | 85 | Confident | 74.7 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -139 | 148 | 179.3 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | E146 I147 R201 H211 | E146-S215 WeakPolarHBondContact OE1-CB 3.42Å; E146-S215 PolarHBondContact OE1-OG 2.99Å; I147-S215 WeakPolarHBondContact O-CA 3.4Å; R201-S215 PolarHBondContact NH2-O 3.22Å; R201-S215 PolarHBondContact NH2-OG 3.43Å; H211-S215 PolarHBondContact ND1-OG 3.22Å; H211-S215 PolarHBondContact O-N 2.95Å; H211-S215 PolarHBondContact O-OG 2.79Å |
| 216 | H | 90.9 | Very high | 76.3 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.2 | 173 | -49.9 | -73.9 | 0 | 0 | 0 | 108.8 | E146 I147 D245 L246 A247 S271 L297 | E146-H216 CarbonylContact C-O 3.58Å; E146-H216 WeakPolarHBondContact CA-O 3.35Å; I147-H216 HydrophobicContact CB-CB 4.29Å; I147-H216 PolarHBondContact N-O 2.89Å; I147-H216 PolarHBondContact O-N 3.11Å; H216-D245 WeakPolarHBondContact CA-O 3.42Å; H216-L246 HydrophobicContact CB-CD2 4.28Å; H216-L246 WeakPolarHBondContact ND1-CA 3.38Å; H216-L246 WeakPolarHBondContact ND1-CD2 3.27Å; H216-A247 VanDerWaalsContact CE1-CB 3.41Å; H216-A247 WeakPolarHBondContact CE1-CB 3.34Å; H216-A247 PolarHBondContact CE1-N 2.96Å; H216-A247 PolarHBondContact ND1-N 3.23Å; H216-S271 PolarHBondContact NE2-OG 3.28Å; H216-L297 HydrophobicContact CB-CD1 4.28Å |
| 217 | A | 93.4 | Very high | 78.3 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y144 R201 V244 D245 | Y144-A217 HydrophobicContact CE2-CB 3.93Å; R201-A217 VanDerWaalsContact CZ-CB 3.47Å; A217-V244 WeakPolarHBondContact O-CA 3.46Å; A217-D245 HydrophobicContact CB-CB 4.34Å; A217-D245 PolarHBondContact N-O 3.43Å; A217-D245 PolarHBondContact O-N 3Å |
| 218 | I | 96.1 | Very high | 80 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 107 | 178.4 | -52.3 | -174.1 | 0 | 0 | 0 | 108.9 | Y144 L145 I147 V220 V244 L297 L300 | Y144-I218 WeakPolarHBondContact CD2-O 3.09Å; L145-I218 HydrophobicContact CD1-CB 3.81Å; L145-I218 HydrophobicContact CD1-CD1 4.16Å; L145-I218 HydrophobicContact CD1-CG1 4.02Å; L145-I218 HydrophobicContact CG-CB 4.05Å; L145-I218 PolarHBondContact N-O 3.36Å; L145-I218 VanDerWaalsContact N-O 3.07Å; L145-I218 PolarHBondContact O-N 3.23Å; I147-I218 HydrophobicContact CD1-CD1 4.11Å; I218-V220 HydrophobicContact CG2-CG2 3.78Å; I218-V244 HydrophobicContact CD1-CG2 4.46Å; I218-V244 HydrophobicContact CG1-CG1 4.17Å; I218-V244 HydrophobicContact CG1-CG2 4.17Å; I218-V244 HydrophobicContact CG2-CG2 4.08Å; I218-L297 HydrophobicContact CD1-CD1 4.26Å; I218-L300 HydrophobicContact CD1-CD1 4.41Å |
| 219 | F | 97.3 | Very high | 81.7 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.9 | 170.8 | -163.1 | -83.3 | 0 | 0 | 0 | 108.6 | F123 A142 Y144 I190 V193 M194 I221 L243 | F123-F219 HydrophobicContact CE1-CD1 4.16Å; F123-F219 AromaticContact CE1-CE1 3.53Å; F123-F219 HydrophobicContact CE1-CE1 3.53Å; F123-F219 HydrophobicContact CE1-CZ 4.07Å; F123-F219 HydrophobicContact CZ-CD1 4.32Å; F123-F219 AromaticContact CZ-CE1 3.65Å; F123-F219 HydrophobicContact CZ-CE1 3.65Å; F123-F219 HydrophobicContact CZ-CE2 4.44Å; F123-F219 AromaticContact CZ-CZ 3.73Å; F123-F219 HydrophobicContact CZ-CZ 3.73Å; A142-F219 HydrophobicContact CB-CE1 4.06Å; A142-F219 HydrophobicContact CB-CZ 3.84Å; Y144-F219 AromaticContact CD1-CD2 3.61Å; Y144-F219 HydrophobicContact CD1-CD2 3.61Å; Y144-F219 AromaticContact CD1-CE2 3.99Å; Y144-F219 HydrophobicContact CD1-CE2 3.99Å; Y144-F219 HydrophobicContact CD2-CB 3.93Å; Y144-F219 AromaticContact CD2-CD2 3.74Å; Y144-F219 HydrophobicContact CD2-CD2 3.74Å; Y144-F219 HydrophobicContact CD2-CG 4.3Å; Y144-F219 HydrophobicContact CE1-CD2 4.06Å; Y144-F219 HydrophobicContact CE2-CB 4.06Å; Y144-F219 HydrophobicContact CE2-CD2 4.14Å; Y144-F219 AromaticContact CG-CD2 3.46Å; Y144-F219 HydrophobicContact CG-CD2 3.46Å; Y144-F219 VanDerWaalsContact CG-CD2 3.46Å; Y144-F219 HydrophobicContact CG-CE2 4.08Å; Y144-F219 HydrophobicContact CG-CG 4.39Å; I190-F219 HydrophobicContact CD1-CE1 4.15Å; I190-F219 HydrophobicContact CD1-CZ 4.43Å; I190-F219 HydrophobicContact CG1-CE1 4.14Å; I190-F219 HydrophobicContact CG1-CZ 3.93Å; V193-F219 HydrophobicContact CG1-CE2 4.35Å; V193-F219 HydrophobicContact CG1-CZ 4.37Å; M194-F219 HydrophobicContact CB-CE2 3.89Å; M194-F219 HydrophobicContact CB-CZ 4.37Å; M194-F219 HydrophobicContact CG-CE2 4.25Å; F219-I221 HydrophobicContact CD1-CG1 3.93Å; F219-I221 HydrophobicContact CE1-CD1 4.36Å; F219-I221 HydrophobicContact CE1-CG1 3.85Å; F219-L243 HydrophobicContact CB-CB 4.29Å; F219-L243 HydrophobicContact CD1-CD1 4.43Å; F219-L243 PolarHBondContact N-O 3.5Å; F219-L243 PolarHBondContact O-N 2.9Å |
| 220 | V | 97.1 | Very high | 83.3 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.6 | -175.9 | -174.7 | 0 | 0 | 0 | 0 | 109 | A142 S143 I218 K240 L241 | A142-V220 WeakPolarHBondContact CA-O 3.26Å; S143-V220 PolarHBondContact N-O 3.33Å; S143-V220 PolarHBondContact O-N 2.88Å; I218-V220 HydrophobicContact CG2-CG2 3.78Å; V220-K240 HydrophobicContact CG1-CD 3.82Å; V220-K240 HydrophobicContact CG1-CG 3.63Å; V220-L241 WeakPolarHBondContact CA-O 3.39Å |
| 221 | I | 97.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.8 | 169.3 | -43 | -177.9 | 0 | 0 | 0 | 107.8 | F123 I126 V140 R141 I190 F219 I223 K240 L241 L243 | F123-I221 HydrophobicContact CD1-CD1 3.78Å; F123-I221 HydrophobicContact CE1-CD1 3.71Å; I126-I221 HydrophobicContact CD1-CD1 3.75Å; I126-I221 HydrophobicContact CD1-CG2 4.29Å; V140-I221 HydrophobicContact CG1-CG2 3.7Å; R141-I221 CarbonylContact O-C 3.58Å; R141-I221 WeakPolarHBondContact O-CA 3.47Å; I190-I221 HydrophobicContact CD1-CD1 4.15Å; I190-I221 HydrophobicContact CD1-CG1 4.36Å; I190-I221 HydrophobicContact CD1-CG2 4.36Å; F219-I221 HydrophobicContact CD1-CG1 3.93Å; F219-I221 HydrophobicContact CE1-CD1 4.36Å; F219-I221 HydrophobicContact CE1-CG1 3.85Å; I221-I223 HydrophobicContact CG2-CG1 4.09Å; I221-K240 CarbonylContact O-C 3.6Å; I221-K240 WeakPolarHBondContact O-CA 3.28Å; I221-L241 HydrophobicContact CB-CB 4.3Å; I221-L241 HydrophobicContact CD1-CD2 4.25Å; I221-L241 PolarHBondContact N-O 3.19Å; I221-L241 PolarHBondContact O-N 2.66Å; I221-L243 HydrophobicContact CD1-CD1 3.94Å; I221-L243 HydrophobicContact CG1-CD1 4.24Å |
| 222 | T | 95.3 | Very high | 85.1 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.7 | 170.3 | -52.3 | 0 | 0 | 0 | 0 | 108.4 | V140 R141 V238 | V140-T222 WeakPolarHBondContact CA-O 3.41Å; R141-T222 PolarHBondContact N-O 3.46Å; R141-T222 PolarHBondContact O-N 2.85Å; T222-V238 HydrophobicContact CG2-CG1 3.97Å |
| 223 | I | 94.2 | Very high | 85.7 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 112.5 | 179.6 | -51.8 | 177 | 0 | 0 | 0 | 106.9 | V84 L85 I126 Y138 V140 I221 G239 | V84-I223 HydrophobicContact CG1-CD1 4.11Å; L85-I223 HydrophobicContact CD2-CD1 3.93Å; L85-I223 HydrophobicContact CG-CD1 4.36Å; I126-I223 HydrophobicContact CD1-CD1 3.83Å; I126-I223 HydrophobicContact CG1-CD1 3.87Å; I126-I223 HydrophobicContact CG2-CD1 3.87Å; Y138-I223 HydrophobicContact CD1-CG2 3.83Å; Y138-I223 HydrophobicContact CE1-CG2 4.28Å; V140-I223 HydrophobicContact CG2-CG2 4.5Å; I221-I223 HydrophobicContact CG2-CG1 4.09Å; I223-G239 PolarHBondContact N-O 3.08Å; I223-G239 PolarHBondContact O-N 3.42Å |
| 224 | E | 92.3 | Very high | 86.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.8 | 168.1 | -60.5 | 179 | -170.3 | 0 | 0 | 108.3 | Y138 L139 R141 R237 V238 L354 L355 | Y138-E224 CarbonylContact C-O 3.53Å; Y138-E224 VanDerWaalsContact CA-O 3.3Å; Y138-E224 WeakPolarHBondContact CA-O 3.33Å; L139-E224 HydrophobicContact CB-CB 4.32Å; L139-E224 PolarHBondContact N-O 2.88Å; L139-E224 PolarHBondContact O-N 3.41Å; R141-E224 IonicContact CZ-OE1 2.73Å; R141-E224 IonicContact NH1-OE1 2.59Å; R141-E224 PolarHBondContact NH1-OE1 2.8Å; R141-E224 IonicContact NH1-OE2 2.93Å; R141-E224 PolarHBondContact NH1-OE2 3.12Å; R141-E224 IonicContact NH2-OE1 3.67Å; R141-E224 PolarHBondContact NH2-OE1 3.43Å; E224-R237 WeakPolarHBondContact CA-O 3.3Å; E224-V238 HydrophobicContact CG-CG1 4.05Å; E224-V238 HydrophobicContact CG-CG2 4.04Å; E224-L354 PolarHBondContact OE2-N 2.88Å; E224-L354 VanDerWaalsContact OE2-N 3.12Å; E224-L355 HydrophobicContact CB-CB 4.07Å; E224-L355 HydrophobicContact CB-CD1 4.02Å; E224-L355 WeakPolarHBondContact OE2-CB 3.29Å; E224-L355 PolarHBondContact OE2-N 2.85Å |
| 225 | C | 90.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.3 | 178.7 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | Q137 Y138 I236 R237 | Q137-C225 CarbonylContact O-C 3.53Å; Q137-C225 WeakPolarHBondContact O-CA 3.32Å; Y138-C225 HydrophobicContact CD1-CB 3.9Å; Y138-C225 HydrophobicContact CE1-CB 3.67Å; Y138-C225 VanDerWaalsContact CZ-SG 3.58Å; C225-I236 CarbonylContact O-C 3.53Å; C225-I236 WeakPolarHBondContact O-CA 3.5Å; C225-R237 PolarHBondContact N-O 2.92Å; C225-R237 PolarHBondContact O-N 3.5Å |
| 226 | S | 87.6 | Confident | 86.6 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131 | 168.9 | 171.3 | 0 | 0 | 0 | 0 | 109.5 | Q136 Q137 H235 Q359 | Q136-S226 WeakPolarHBondContact CA-O 3.25Å; Q137-S226 PolarHBondContact N-O 3.33Å; Q137-S226 PolarHBondContact O-N 3.44Å; S226-H235 WeakPolarHBondContact CA-O 3.32Å; S226-Q359 PolarHBondContact OG-NE2 3.47Å |
| 227 | E | 85.6 | Confident | 86.6 | Confident | 60 Ų | 60 | 44 Ų | 44 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 136.5 | -178.6 | 179.5 | 168.8 | -138.8 | 0 | 0 | 109.1 | Q136 G229 H235 R237 | Q136-E227 HydrophobicContact CG-CB 4.13Å; Q136-E227 HydrophobicContact CG-CG 4.05Å; Q136-E227 VanDerWaalsContact NE2-CD 3.33Å; Q136-E227 PolarHBondContact NE2-OE1 3.17Å; E227-G229 PolarHBondContact O-N 3.49Å; E227-H235 PolarHBondContact N-O 3.17Å; E227-H235 PolarHBondContact O-N 2.95Å; E227-R237 IonicContact OE2-CZ 3.72Å; E227-R237 IonicContact OE2-NH1 3.74Å; E227-R237 PolarHBondContact OE2-NH1 3.3Å; E227-R237 IonicContact OE2-NH2 2.67Å; E227-R237 PolarHBondContact OE2-NH2 3.46Å |
| 228 | L | 79.9 | Confident | 86.5 | Confident | 108 Ų | 108 | 45.5 Ų | 45.5 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 117.4 | 172.1 | -164.9 | 78.7 | 0 | 0 | 0 | 108.6 | G232 N234 | L228-G232 WeakPolarHBondContact CD1-O 3.28Å; L228-N234 WeakPolarHBondContact CD1-OD1 3.46Å |
| 229 | G | 75.9 | Confident | 86.4 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 22% | 0.216 | 25% | 0.25 | C | C | . | . | trans | -71.3 | 168.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E227 D231 G232 E233 | E227-G229 PolarHBondContact O-N 3.49Å; G229-D231 VanDerWaalsContact CA-OD1 3.31Å; G229-D231 WeakPolarHBondContact CA-OD1 3.45Å; G229-D231 PolarHBondContact O-N 2.92Å; G229-G232 PolarHBondContact O-N 2.87Å; G229-E233 PolarHBondContact N-O 2.99Å | ||
| 230 | L | 74.8 | Confident | 86.3 | Confident | 197 Ų | 197 | 48.3 Ų | 48.3 | 100% | 1.031 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.8 | 173.7 | -61.2 | 176.6 | 0 | 0 | 0 | 112.9 | G232 | L230-G232 VanDerWaalsContact C-N 3.35Š|
| 231 | D | 76.3 | Confident | 86.3 | Confident | 99 Ų | 99 | 47.6 Ų | 47.6 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.9 | 170.4 | 48.3 | 16.2 | 0 | 0 | 0 | 113.1 | G229 E233 H235 | G229-D231 VanDerWaalsContact CA-OD1 3.31Å; G229-D231 WeakPolarHBondContact CA-OD1 3.45Å; G229-D231 PolarHBondContact O-N 2.92Å; D231-E233 VanDerWaalsContact C-N 3.32Å; D231-E233 PolarHBondContact OD1-N 3Å; D231-H235 IonicContact OD1-CD2 2.8Å; D231-H235 IonicContact OD1-NE2 3.04Å; D231-H235 PolarHBondContact OD1-NE2 2.76Å; D231-H235 IonicContact OD2-CD2 3.24Å; D231-H235 IonicContact OD2-CE1 2.81Å; D231-H235 PolarHBondContact OD2-CE1 2.69Å; D231-H235 IonicContact OD2-NE2 2.66Å; D231-H235 PolarHBondContact OD2-NE2 3.28Å |
| 232 | G | 71.4 | Confident | 86.3 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 81.6 | 5.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L228 G229 L230 | L228-G232 WeakPolarHBondContact CD1-O 3.28Å; G229-G232 PolarHBondContact O-N 2.87Å; L230-G232 VanDerWaalsContact C-N 3.35Å |
| 233 | E | 76.5 | Confident | 86.4 | Confident | 135 Ų | 135 | 47.9 Ų | 47.9 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | trans | -91.8 | 150 | 174.8 | -63.4 | -161.8 | 163 | 0 | 0 | 111.3 | G229 D231 H235 | G229-E233 PolarHBondContact N-O 2.99Å; D231-E233 VanDerWaalsContact C-N 3.32Å; D231-E233 PolarHBondContact OD1-N 3Å; E233-H235 PolarHBondContact O-CD2 3.11Å; E233-H235 PolarHBondContact O-N 2.75Å | ||
| 234 | N | 76.6 | Confident | 86.5 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 104.4 | 174.8 | -87.1 | -26.5 | 0 | 0 | 0 | 110.1 | L228 | L228-N234 WeakPolarHBondContact CD1-OD1 3.46Å |
| 235 | H | 83.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 48 Ų | 48 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.9 | 173.1 | -68.6 | -88 | 0 | 0 | 0 | 109.6 | S226 E227 D231 E233 | S226-H235 WeakPolarHBondContact CA-O 3.32Å; E227-H235 PolarHBondContact N-O 3.17Å; E227-H235 PolarHBondContact O-N 2.95Å; D231-H235 IonicContact OD1-CD2 2.8Å; D231-H235 IonicContact OD1-NE2 3.04Å; D231-H235 PolarHBondContact OD1-NE2 2.76Å; D231-H235 IonicContact OD2-CD2 3.24Å; D231-H235 IonicContact OD2-CE1 2.81Å; D231-H235 PolarHBondContact OD2-CE1 2.69Å; D231-H235 IonicContact OD2-NE2 2.66Å; D231-H235 PolarHBondContact OD2-NE2 3.28Å; E233-H235 PolarHBondContact O-CD2 3.11Å; E233-H235 PolarHBondContact O-N 2.75Å |
| 236 | I | 87.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.046 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126.9 | 178.7 | -53.6 | 178.3 | 0 | 0 | 0 | 109.5 | C225 E348 A353 L355 R356 | C225-I236 CarbonylContact O-C 3.53Å; C225-I236 WeakPolarHBondContact O-CA 3.5Å; I236-E348 CarbonylContact O-C 3.55Å; I236-E348 WeakPolarHBondContact O-CA 3.49Å; I236-A353 HydrophobicContact CB-CB 4.45Å; I236-A353 HydrophobicContact CD1-CB 4.33Å; I236-A353 HydrophobicContact CG2-CB 3.58Å; I236-L355 HydrophobicContact CD1-CD2 4.36Å; I236-R356 HydrophobicContact CD1-CB 3.69Å; I236-R356 HydrophobicContact CD1-CG 4.26Å |
| 237 | R | 90.6 | Very high | 86.8 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 10% | 0.102 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.6 | 179.9 | -60 | -170.1 | -65.6 | -87.4 | 2.8 | 110.5 | E224 C225 E227 V346 N347 E348 | E224-R237 WeakPolarHBondContact CA-O 3.3Å; C225-R237 PolarHBondContact N-O 2.92Å; C225-R237 PolarHBondContact O-N 3.5Å; E227-R237 IonicContact OE2-CZ 3.72Å; E227-R237 IonicContact OE2-NH1 3.74Å; E227-R237 PolarHBondContact OE2-NH1 3.3Å; E227-R237 IonicContact OE2-NH2 2.67Å; E227-R237 PolarHBondContact OE2-NH2 3.46Å; R237-V346 HydrophobicContact CG-CG1 4.22Å; R237-N347 WeakPolarHBondContact CA-O 3.29Å; R237-E348 HydrophobicContact CG-CG 4.3Å |
| 238 | V | 91.6 | Very high | 86.8 | Confident | 33 Ų | 33 | 44.9 Ų | 44.9 | 20% | 0.2 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 105.9 | -177 | -172.2 | 0 | 0 | 0 | 0 | 111 | T222 E224 N347 A353 | T222-V238 HydrophobicContact CG2-CG1 3.97Å; E224-V238 HydrophobicContact CG-CG1 4.05Å; E224-V238 HydrophobicContact CG-CG2 4.04Å; V238-N347 PolarHBondContact N-O 3.35Å; V238-N347 WeakPolarHBondContact O-CB 3.37Å; V238-N347 PolarHBondContact O-ND2 2.69Å; V238-A353 HydrophobicContact CG2-CB 4.49Å |
| 239 | G | 93.1 | Very high | 87 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | F88 I223 | F88-G239 WeakPolarHBondContact O-CA 3.18Å; I223-G239 PolarHBondContact N-O 3.08Å; I223-G239 PolarHBondContact O-N 3.42Å |
| 240 | K | 94.5 | Very high | 87 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.1 | 169.9 | -175.2 | -178 | -73.4 | 172 | 0 | 110.3 | N89 G90 V220 I221 | N89-K240 CarbonylContact C-O 3.55Å; N89-K240 WeakPolarHBondContact CA-O 3.47Å; N89-K240 PolarHBondContact OD1-N 3.43Å; G90-K240 PolarHBondContact N-O 2.68Å; V220-K240 HydrophobicContact CG1-CD 3.82Å; V220-K240 HydrophobicContact CG1-CG 3.63Å; I221-K240 CarbonylContact O-C 3.6Å; I221-K240 WeakPolarHBondContact O-CA 3.28Å |
| 241 | L | 97.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.5 | 170.3 | 179 | 58.5 | 0 | 0 | 0 | 110 | L80 V81 V84 G90 I92 I126 V220 I221 L243 | L80-L241 HydrophobicContact CD2-CD1 4.33Å; V81-L241 HydrophobicContact CG2-CD2 4.04Å; V84-L241 HydrophobicContact CB-CB 4.49Å; V84-L241 HydrophobicContact CG1-CB 4.04Å; V84-L241 HydrophobicContact CG2-CB 4.12Å; V84-L241 HydrophobicContact CG2-CD1 4.28Å; G90-L241 CarbonylContact O-C 3.4Å; G90-L241 VanDerWaalsContact O-CA 3.29Å; G90-L241 WeakPolarHBondContact O-CA 3.19Å; I92-L241 HydrophobicContact CG1-CD1 4.42Å; I126-L241 HydrophobicContact CD1-CD2 4.39Å; V220-L241 WeakPolarHBondContact CA-O 3.39Å; I221-L241 HydrophobicContact CB-CB 4.3Å; I221-L241 HydrophobicContact CD1-CD2 4.25Å; I221-L241 PolarHBondContact N-O 3.19Å; I221-L241 PolarHBondContact O-N 2.66Å; L241-L243 HydrophobicContact CD1-CG 4.49Å; L241-L243 HydrophobicContact CD2-CD1 3.98Å; L241-L243 HydrophobicContact CD2-CD2 4.49Å; L241-L243 HydrophobicContact CD2-CG 4.26Å; L241-L243 HydrophobicContact CG-CD1 4.11Å; L241-L243 HydrophobicContact CG-CG 4.03Å |
| 242 | N | 97.6 | Very high | 85.6 | Confident | 22 Ų | 22 | 32 Ų | 32 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 122.8 | 171 | -51.4 | -65 | 0 | 0 | 0 | 109.8 | G90 T91 I92 V244 | G90-N242 PolarHBondContact O-N 2.9Å; T91-N242 CarbonylContact C-O 3.54Å; T91-N242 WeakPolarHBondContact CA-O 3.25Å; T91-N242 HydrophobicContact CG2-CB 4.14Å; T91-N242 PolarHBondContact OG1-ND2 3.02Å; I92-N242 PolarHBondContact N-O 3.23Å; N242-V244 HydrophobicContact CB-CG2 4.39Å |
| 243 | L | 97.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 107.3 | 176.6 | -68.2 | 148.3 | 0 | 0 | 0 | 108.2 | I92 M106 V118 I119 F219 I221 L241 | I92-L243 HydrophobicContact CB-CD2 4.27Å; I92-L243 HydrophobicContact CD1-CD2 4.05Å; I92-L243 HydrophobicContact CG1-CD2 4.48Å; M106-L243 HydrophobicContact CE-CB 3.88Å; M106-L243 HydrophobicContact CE-CD2 4.1Å; V118-L243 HydrophobicContact CG1-CD2 4.25Å; V118-L243 HydrophobicContact CG2-CD2 4.09Å; I119-L243 HydrophobicContact CD1-CB 4.3Å; I119-L243 HydrophobicContact CG1-CB 3.85Å; I119-L243 HydrophobicContact CG1-CD1 4.09Å; I119-L243 HydrophobicContact CG1-CD2 4.06Å; I119-L243 HydrophobicContact CG1-CG 4.21Å; I119-L243 HydrophobicContact CG2-CD1 4.41Å; F219-L243 HydrophobicContact CB-CB 4.29Å; F219-L243 HydrophobicContact CD1-CD1 4.43Å; F219-L243 PolarHBondContact N-O 3.5Å; F219-L243 PolarHBondContact O-N 2.9Å; I221-L243 HydrophobicContact CD1-CD1 3.94Å; I221-L243 HydrophobicContact CG1-CD1 4.24Å; L241-L243 HydrophobicContact CD1-CG 4.49Å; L241-L243 HydrophobicContact CD2-CD1 3.98Å; L241-L243 HydrophobicContact CD2-CD2 4.49Å; L241-L243 HydrophobicContact CD2-CG 4.26Å; L241-L243 HydrophobicContact CG-CD1 4.11Å; L241-L243 HydrophobicContact CG-CG 4.03Å |
| 244 | V | 97 | Very high | 83.9 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.6 | -166.8 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | T91 I92 F93 A94 A217 I218 N242 L246 L301 | T91-V244 HydrophobicContact CG2-CG2 4.35Å; I92-V244 PolarHBondContact O-N 3.18Å; F93-V244 WeakPolarHBondContact CA-O 3.43Å; F93-V244 HydrophobicContact CB-CB 3.66Å; F93-V244 HydrophobicContact CB-CG1 4.06Å; F93-V244 HydrophobicContact CB-CG2 4.31Å; A94-V244 PolarHBondContact N-O 3.43Å; A217-V244 WeakPolarHBondContact O-CA 3.46Å; I218-V244 HydrophobicContact CD1-CG2 4.46Å; I218-V244 HydrophobicContact CG1-CG1 4.17Å; I218-V244 HydrophobicContact CG1-CG2 4.17Å; I218-V244 HydrophobicContact CG2-CG2 4.08Å; N242-V244 HydrophobicContact CB-CG2 4.39Å; V244-L246 HydrophobicContact CG1-CD2 3.4Å; V244-L246 VanDerWaalsContact CG1-CD2 3.4Å; V244-L246 HydrophobicContact CG1-CG 3.87Å; V244-L301 HydrophobicContact CG2-CD2 4.08Å |
| 245 | D | 95.1 | Very high | 82.9 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 101.6 | 168.8 | -172.5 | 37.3 | 0 | 0 | 0 | 107.9 | K102 T103 M106 R201 H216 A217 | K102-D245 WeakPolarHBondContact CB-OD1 3.43Å; T103-D245 WeakPolarHBondContact CA-OD1 3.02Å; T103-D245 WeakPolarHBondContact CB-OD2 3.26Å; T103-D245 WeakPolarHBondContact CG2-OD2 3.41Å; T103-D245 PolarHBondContact N-OD1 2.93Å; T103-D245 VanDerWaalsContact N-OD1 3.08Å; T103-D245 PolarHBondContact OG1-OD1 3.27Å; T103-D245 PolarHBondContact OG1-OD2 2.85Å; M106-D245 HydrophobicContact CB-CB 4.29Å; M106-D245 HydrophobicContact CG-CB 4.01Å; R201-D245 IonicContact NH1-OD2 3.35Å; R201-D245 PolarHBondContact NH1-OD2 2.7Å; H216-D245 WeakPolarHBondContact CA-O 3.42Å; A217-D245 HydrophobicContact CB-CB 4.34Å; A217-D245 PolarHBondContact N-O 3.43Å; A217-D245 PolarHBondContact O-N 3Å |
| 246 | L | 92.3 | Very high | 81.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 163.4 | -177.3 | -61.5 | 175.9 | 0 | 0 | 0 | 112 | F93 A94 Y95 K102 H216 V244 L272 L275 L297 | F93-L246 HydrophobicContact CD2-CD1 3.86Å; A94-L246 VanDerWaalsContact O-CB 3.3Å; A94-L246 WeakPolarHBondContact O-CB 3.47Å; A94-L246 WeakPolarHBondContact O-CG 3.46Å; A94-L246 PolarHBondContact O-N 2.8Å; Y95-L246 HydrophobicContact CD2-CD1 3.82Å; Y95-L246 HydrophobicContact CG-CD1 4.47Å; K102-L246 WeakPolarHBondContact CE-O 3.24Å; H216-L246 HydrophobicContact CB-CD2 4.28Å; H216-L246 WeakPolarHBondContact ND1-CA 3.38Å; H216-L246 WeakPolarHBondContact ND1-CD2 3.27Å; V244-L246 HydrophobicContact CG1-CD2 3.4Å; V244-L246 VanDerWaalsContact CG1-CD2 3.4Å; V244-L246 HydrophobicContact CG1-CG 3.87Å; L246-L272 HydrophobicContact CB-CD2 4.46Å; L246-L272 HydrophobicContact CD1-CD2 4.3Å; L246-L275 HydrophobicContact CD1-CD2 4.04Å; L246-L297 HydrophobicContact CD2-CD1 3.89Å; L246-L297 HydrophobicContact CD2-CD2 3.85Å; L246-L297 HydrophobicContact CD2-CG 4.49Å |
| 247 | A | 88.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 172.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K102 S213 H216 I268 L272 | K102-A247 WeakPolarHBondContact CE-O 3.39Å; K102-A247 PolarHBondContact NZ-O 2.83Å; S213-A247 WeakPolarHBondContact O-CA 3.47Å; S213-A247 WeakPolarHBondContact O-CB 3.37Å; H216-A247 VanDerWaalsContact CE1-CB 3.41Å; H216-A247 WeakPolarHBondContact CE1-CB 3.34Å; H216-A247 PolarHBondContact CE1-N 2.96Å; H216-A247 PolarHBondContact ND1-N 3.23Å; A247-I268 HydrophobicContact CB-CG2 3.78Å; A247-L272 HydrophobicContact CB-CD1 4.4Å |
| 248 | G | 85.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 133.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | T98 S213 E250 L272 | T98-G248 WeakPolarHBondContact OG1-CA 3.48Å; S213-G248 PolarHBondContact O-N 3.46Å; G248-E250 VanDerWaalsContact C-N 3.29Å; G248-E250 VanDerWaalsContact C-OE2 3.29Å; G248-E250 WeakPolarHBondContact CA-OE2 3.4Å; G248-L272 WeakPolarHBondContact O-CD1 3.34Å |
| 249 | S | 83.3 | Confident | 77.2 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | trans | -84.7 | 4.5 | 176.9 | 70.5 | 0 | 0 | 0 | 0 | 114.5 | G96 Q97 | G96-S249 WeakPolarHBondContact CA-OG 3.48Å; G96-S249 PolarHBondContact O-N 3.31Å; G96-S249 VanDerWaalsContact O-N 3.16Å; G96-S249 PolarHBondContact O-OG 3.35Å; Q97-S249 PolarHBondContact N-OG 2.89Å; Q97-S249 VanDerWaalsContact N-OG 3.12Å | ||
| 250 | E | 75.7 | Confident | 75.6 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | trans | -65.8 | 144.1 | -175.8 | 52.9 | -86.3 | -164.5 | 0 | 0 | 114.8 | Q97 T98 G248 N269 E326 | Q97-E250 WeakPolarHBondContact CA-OE2 3.3Å; Q97-E250 HydrophobicContact CG-CB 4.26Å; T98-E250 WeakPolarHBondContact CB-OE1 3.25Å; T98-E250 PolarHBondContact N-OE2 3.19Å; T98-E250 PolarHBondContact OG1-OE1 3.41Å; T98-E250 PolarHBondContact OG1-OE2 3.32Å; G248-E250 VanDerWaalsContact C-N 3.29Å; G248-E250 VanDerWaalsContact C-OE2 3.29Å; G248-E250 WeakPolarHBondContact CA-OE2 3.4Å; E250-N269 PolarHBondContact O-ND2 3.34Å; E250-E326 WeakPolarHBondContact CA-OE2 3.09Å | ||
| 251 | R | 64.1 | Low | 74.1 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | trans | -67.4 | 135.9 | 173.4 | -63.2 | -169.8 | -178.6 | -127.4 | -3.3 | 111.7 | A253 K254 E554 E558 E561 | R251-A253 PolarHBondContact O-N 2.66Å; R251-A253 VanDerWaalsContact O-N 3.09Å; R251-K254 PolarHBondContact O-N 3.35Å; R251-K254 VanDerWaalsContact O-N 3.1Å; R251-E554 IonicContact NH2-OE1 3.86Å; R251-E554 PolarHBondContact NH2-OE1 3.35Å; R251-E558 IonicContact NH2-OE1 3.86Å; R251-E558 PolarHBondContact NH2-OE1 3.47Å; R251-E558 VanDerWaalsContact NH2-OE1 3.15Å; R251-E561 IonicContact NH1-OE1 2.62Å; R251-E561 PolarHBondContact NH1-OE1 3.32Å; R251-E561 VanDerWaalsContact NH1-OE1 3.17Å; R251-E561 IonicContact NH1-OE2 3.83Å; R251-E561 PolarHBondContact NH1-OE2 2.82Å; R251-E561 VanDerWaalsContact NH1-OE2 3.11Å | ||
| 252 | Q | 58.8 | Low | 72.4 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -49.3 | -38.4 | -178.9 | -83.9 | 156.9 | 42.9 | 0 | 0 | 114 | K254 T255 A265 N269 | Q252-K254 PolarHBondContact O-N 2.9Å; Q252-T255 WeakPolarHBondContact O-CB 3.43Å; Q252-T255 PolarHBondContact O-N 3.26Å; Q252-T255 PolarHBondContact O-OG1 2.79Å; Q252-A265 HydrophobicContact CG-CB 3.89Å; Q252-A265 PolarHBondContact NE2-O 2.85Å; Q252-A265 VanDerWaalsContact NE2-O 3.16Å; Q252-N269 PolarHBondContact NE2-ND2 3.02Å |
| 253 | A | 56 | Low | 70.9 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 81% | 0.81 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -54.7 | -26.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R251 | R251-A253 PolarHBondContact O-N 2.66Å; R251-A253 VanDerWaalsContact O-N 3.09Å |
| 254 | K | 55.5 | Low | 69.3 | Low | 86 Ų | 86 | 56.4 Ų | 56.4 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -82.1 | -12.6 | 176.8 | -73.7 | 176.2 | -179.4 | 162.8 | 0 | 114.3 | R251 Q252 E325 E326 | R251-K254 PolarHBondContact O-N 3.35Å; R251-K254 VanDerWaalsContact O-N 3.1Å; Q252-K254 PolarHBondContact O-N 2.9Å; K254-E325 VanDerWaalsContact CE-OE2 3.32Å; K254-E325 WeakPolarHBondContact CE-OE2 3.49Å; K254-E325 IonicContact NZ-OE2 2.66Å; K254-E325 PolarHBondContact NZ-OE2 3.08Å; K254-E326 WeakPolarHBondContact CD-OE1 3.34Å; K254-E326 WeakPolarHBondContact CE-OE1 3.45Å; K254-E326 IonicContact NZ-OE1 2.6Å; K254-E326 PolarHBondContact NZ-OE1 3.2Å |
| 255 | T | 56.3 | Low | 67.7 | Low | 68 Ų | 68 | 57 Ų | 57 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -19 | -172.6 | 69.9 | 0 | 0 | 0 | 0 | 114 | Q252 A257 | Q252-T255 WeakPolarHBondContact O-CB 3.43Å; Q252-T255 PolarHBondContact O-N 3.26Å; Q252-T255 PolarHBondContact O-OG1 2.79Å; T255-A257 PolarHBondContact O-N 2.95Å; T255-A257 VanDerWaalsContact O-N 3.16Å |
| 256 | G | 57 | Low | 66.3 | Low | 68 Ų | 68 | 59.5 Ų | 59.5 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | trans | 60.5 | 19.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 257 | A | 56.6 | Low | 65.1 | Low | 21 Ų | 21 | 63.5 Ų | 63.5 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | trans | -71.6 | 136.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T255 R261 | T255-A257 PolarHBondContact O-N 2.95Å; T255-A257 VanDerWaalsContact O-N 3.16Å; A257-R261 HydrophobicContact CB-CB 4.05Å | ||
| 258 | Q | 51.6 | Low | 64.1 | Low | 168 Ų | 168 | 64 Ų | 64 | 79% | 0.785 | 36% | 0.356 | S | S | * | . | trans | -125.4 | 157.4 | 175.1 | -66 | -175.6 | -10.7 | 0 | 0 | 110.8 | ||||
| 259 | G | 68 | Low | 63.3 | Low | 54 Ų | 54 | 65.4 Ų | 65.4 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | -136.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R261 L262 K263 | G259-R261 PolarHBondContact O-N 2.83Å; G259-L262 VanDerWaalsContact O-CB 3.31Å; G259-L262 WeakPolarHBondContact O-CB 3.33Å; G259-L262 PolarHBondContact O-N 2.8Å; G259-K263 PolarHBondContact O-N 3.24Å |
| 260 | E | 59.7 | Low | 63.2 | Low | 150 Ų | 150 | 68.8 Ų | 68.8 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60 | -33.2 | -179.6 | -64.8 | -172 | 140.4 | 0 | 0 | 113 | L262 K263 E264 | E260-L262 PolarHBondContact O-N 2.91Å; E260-K263 PolarHBondContact O-N 2.68Å; E260-E264 WeakPolarHBondContact O-CB 3.31Å; E260-E264 PolarHBondContact O-N 3.34Å |
| 261 | R | 62 | Low | 63.6 | Low | 99 Ų | 99 | 67.1 Ų | 67.1 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -25.7 | 175.3 | -69.9 | 179.4 | 172.3 | 164.3 | 0.7 | 113 | M208 N209 A257 G259 A265 | M208-R261 PolarHBondContact O-NH2 3.28Å; M208-R261 VanDerWaalsContact O-NH2 3.08Å; N209-R261 PolarHBondContact ND2-NH2 2.88Å; N209-R261 VanDerWaalsContact ND2-NH2 3.2Å; N209-R261 PolarHBondContact OD1-NH2 2.87Å; N209-R261 VanDerWaalsContact OD1-NH2 3.15Å; A257-R261 HydrophobicContact CB-CB 4.05Å; G259-R261 PolarHBondContact O-N 2.83Å; R261-A265 WeakPolarHBondContact O-CB 3.47Å; R261-A265 PolarHBondContact O-N 2.89Å |
| 262 | L | 62.8 | Low | 64.6 | Low | 68 Ų | 68 | 65.4 Ų | 65.4 | 36% | 0.356 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.3 | -50.4 | 172.7 | -176.4 | 63.4 | 0 | 0 | 0 | 109.9 | G259 E260 E264 A265 T266 | G259-L262 VanDerWaalsContact O-CB 3.31Å; G259-L262 WeakPolarHBondContact O-CB 3.33Å; G259-L262 PolarHBondContact O-N 2.8Å; E260-L262 PolarHBondContact O-N 2.91Å; L262-E264 VanDerWaalsContact C-N 3.25Å; L262-E264 PolarHBondContact O-N 3.49Å; L262-A265 PolarHBondContact O-N 2.75Å; L262-T266 PolarHBondContact O-N 3.1Å; L262-T266 PolarHBondContact O-OG1 3.05Å |
| 263 | K | 65.8 | Low | 65.8 | Low | 131 Ų | 131 | 65.8 Ų | 65.8 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.8 | -37.8 | 176.6 | -64.5 | -172.3 | 172.9 | -171.1 | 0 | 112.6 | G259 E260 K267 E572 | G259-K263 PolarHBondContact O-N 3.24Å; E260-K263 PolarHBondContact O-N 2.68Å; K263-K267 PolarHBondContact O-N 3.03Å; K263-E572 IonicContact NZ-OE1 3.75Å |
| 264 | E | 64.5 | Low | 67.4 | Low | 13 Ų | 13 | 61.2 Ų | 61.2 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -52.1 | 171.7 | -174.5 | -165.8 | 163.4 | 0 | 0 | 111.4 | Y148 Q149 R214 E260 L262 T266 K267 I268 | Y148-E264 HydrophobicContact CE2-CG 4.15Å; Y148-E264 PolarHBondContact OH-OE1 3.03Å; Q149-E264 HydrophobicContact CG-CG 4.48Å; R214-E264 WeakPolarHBondContact CD-OE1 3.22Å; R214-E264 IonicContact CZ-OE1 3.71Å; R214-E264 IonicContact CZ-OE2 3Å; R214-E264 IonicContact NE-OE1 3.95Å; R214-E264 IonicContact NH1-OE1 3.15Å; R214-E264 PolarHBondContact NH1-OE1 3.39Å; R214-E264 IonicContact NH1-OE2 3.16Å; R214-E264 PolarHBondContact NH1-OE2 3.25Å; E260-E264 WeakPolarHBondContact O-CB 3.31Å; E260-E264 PolarHBondContact O-N 3.34Å; L262-E264 VanDerWaalsContact C-N 3.25Å; L262-E264 PolarHBondContact O-N 3.49Å; E264-T266 VanDerWaalsContact C-N 3.31Å; E264-T266 PolarHBondContact O-N 2.98Å; E264-K267 PolarHBondContact O-N 2.75Å; E264-K267 VanDerWaalsContact O-N 3.13Å; E264-I268 HydrophobicContact CG-CD1 3.99Å; E264-I268 VanDerWaalsContact O-CG1 3.31Å; E264-I268 WeakPolarHBondContact O-CG1 3.39Å; E264-I268 PolarHBondContact O-N 3.35Å |
| 265 | A | 63 | Low | 69.1 | Low | 12 Ų | 12 | 57.2 Ų | 57.2 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -32.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q252 R261 L262 I268 N269 | Q252-A265 HydrophobicContact CG-CB 3.89Å; Q252-A265 PolarHBondContact NE2-O 2.85Å; Q252-A265 VanDerWaalsContact NE2-O 3.16Å; R261-A265 WeakPolarHBondContact O-CB 3.47Å; R261-A265 PolarHBondContact O-N 2.89Å; L262-A265 PolarHBondContact O-N 2.75Å; A265-I268 PolarHBondContact O-N 3.07Å; A265-N269 PolarHBondContact O-N 2.96Å; A265-N269 VanDerWaalsContact O-N 3.13Å |
| 266 | T | 65.4 | Low | 70.6 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 170.8 | -48.4 | 0 | 0 | 0 | 0 | 111.4 | L262 E264 N269 L270 | L262-T266 PolarHBondContact O-N 3.1Å; L262-T266 PolarHBondContact O-OG1 3.05Å; E264-T266 VanDerWaalsContact C-N 3.31Å; E264-T266 PolarHBondContact O-N 2.98Å; T266-N269 PolarHBondContact O-N 3.05Å; T266-L270 PolarHBondContact O-N 3.03Å |
| 267 | K | 68.1 | Low | 72 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.7 | -33.6 | 179.1 | -72.8 | -175.6 | 164.5 | -161.4 | 0 | 113.6 | Q149 K263 E264 L270 | Q149-K267 HydrophobicContact CB-CD 3.65Å; Q149-K267 HydrophobicContact CG-CD 4.15Å; Q149-K267 PolarHBondContact O-NZ 3.24Å; K263-K267 PolarHBondContact O-N 3.03Å; E264-K267 PolarHBondContact O-N 2.75Å; E264-K267 VanDerWaalsContact O-N 3.13Å; K267-L270 WeakPolarHBondContact O-CB 3.35Å; K267-L270 PolarHBondContact O-N 3.1Å |
| 268 | I | 66.3 | Low | 73.7 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 176.4 | -65.6 | 161.1 | 0 | 0 | 0 | 109.5 | R214 A247 E264 A265 L270 S271 | R214-I268 HydrophobicContact CB-CD1 3.52Å; R214-I268 HydrophobicContact CB-CG1 4.47Å; R214-I268 HydrophobicContact CG-CD1 3.79Å; R214-I268 WeakPolarHBondContact O-CG1 3.47Å; A247-I268 HydrophobicContact CB-CG2 3.78Å; E264-I268 HydrophobicContact CG-CD1 3.99Å; E264-I268 VanDerWaalsContact O-CG1 3.31Å; E264-I268 WeakPolarHBondContact O-CG1 3.39Å; E264-I268 PolarHBondContact O-N 3.35Å; A265-I268 PolarHBondContact O-N 3.07Å; I268-L270 VanDerWaalsContact C-N 3.33Å; I268-L270 PolarHBondContact O-N 3.49Å; I268-S271 PolarHBondContact O-N 2.86Å; I268-S271 PolarHBondContact O-OG 3.17Å |
| 269 | N | 69.1 | Low | 75.6 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -30.8 | 179.8 | -72.3 | 14 | 0 | 0 | 0 | 112.4 | E250 Q252 A265 T266 S271 L272 S273 | E250-N269 PolarHBondContact O-ND2 3.34Å; Q252-N269 PolarHBondContact NE2-ND2 3.02Å; A265-N269 PolarHBondContact O-N 2.96Å; A265-N269 VanDerWaalsContact O-N 3.13Å; T266-N269 PolarHBondContact O-N 3.05Å; N269-S271 VanDerWaalsContact C-N 3.28Å; N269-S271 PolarHBondContact O-N 3.26Å; N269-L272 PolarHBondContact O-N 3.35Å; N269-L272 VanDerWaalsContact O-N 3.11Å; N269-S273 WeakPolarHBondContact O-CB 3.46Å; N269-S273 PolarHBondContact O-N 3.44Å; N269-S273 PolarHBondContact O-OG 3.4Å; N269-S273 VanDerWaalsContact O-OG 3.11Å |
| 270 | L | 80.3 | Confident | 76.5 | Confident | 85 Ų | 85 | 45 Ų | 45 | 45% | 0.445 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -49.2 | -49.4 | 174 | 178.7 | 64.2 | 0 | 0 | 0 | 112 | E150 T266 K267 I268 L272 S273 A274 | E150-L270 HydrophobicContact CG-CD2 4.19Å; T266-L270 PolarHBondContact O-N 3.03Å; K267-L270 WeakPolarHBondContact O-CB 3.35Å; K267-L270 PolarHBondContact O-N 3.1Å; I268-L270 VanDerWaalsContact C-N 3.33Å; I268-L270 PolarHBondContact O-N 3.49Å; L270-L272 PolarHBondContact O-N 2.9Å; L270-S273 PolarHBondContact O-N 3.04Å; L270-A274 VanDerWaalsContact O-CB 3.26Å; L270-A274 WeakPolarHBondContact O-CB 3.45Å; L270-A274 PolarHBondContact O-N 2.83Å |
| 271 | S | 84.1 | Confident | 77.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -35.2 | -179.6 | 66 | 0 | 0 | 0 | 0 | 114.3 | E150 H216 I268 N269 L275 | E150-S271 WeakPolarHBondContact OE1-CB 3.33Å; H216-S271 PolarHBondContact NE2-OG 3.28Å; I268-S271 PolarHBondContact O-N 2.86Å; I268-S271 PolarHBondContact O-OG 3.17Å; N269-S271 VanDerWaalsContact C-N 3.28Å; N269-S271 PolarHBondContact O-N 3.26Å; S271-L275 WeakPolarHBondContact O-CB 3.41Å; S271-L275 PolarHBondContact O-N 2.81Å; S271-L275 VanDerWaalsContact O-N 3.16Å |
| 272 | L | 85.9 | Confident | 79.1 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -80.9 | -33.5 | 178.1 | -69.1 | -178.8 | 0 | 0 | 0 | 112.5 | Y95 L246 A247 G248 N269 L270 L275 G276 L297 | Y95-L272 HydrophobicContact CD2-CD2 4.43Å; Y95-L272 HydrophobicContact CE2-CD2 4.19Å; L246-L272 HydrophobicContact CB-CD2 4.46Å; L246-L272 HydrophobicContact CD1-CD2 4.3Å; A247-L272 HydrophobicContact CB-CD1 4.4Å; G248-L272 WeakPolarHBondContact O-CD1 3.34Å; N269-L272 PolarHBondContact O-N 3.35Å; N269-L272 VanDerWaalsContact O-N 3.11Å; L270-L272 PolarHBondContact O-N 2.9Å; L272-L275 HydrophobicContact CD2-CD2 4.43Å; L272-L275 WeakPolarHBondContact O-CB 3.45Å; L272-L275 PolarHBondContact O-N 2.86Å; L272-G276 PolarHBondContact O-N 3.44Å; L272-L297 HydrophobicContact CD2-CD2 4.43Å |
| 273 | S | 84.5 | Confident | 80.2 | Confident | 66 Ų | 66 | 34.6 Ų | 34.6 | 46% | 0.462 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67 | -44.1 | 171.2 | -64.4 | 0 | 0 | 0 | 0 | 111 | N269 L270 L275 G276 N277 | N269-S273 WeakPolarHBondContact O-CB 3.46Å; N269-S273 PolarHBondContact O-N 3.44Å; N269-S273 PolarHBondContact O-OG 3.4Å; N269-S273 VanDerWaalsContact O-OG 3.11Å; L270-S273 PolarHBondContact O-N 3.04Å; S273-L275 VanDerWaalsContact C-N 3.3Å; S273-L275 PolarHBondContact O-N 2.95Å; S273-G276 CarbonylContact O-C 3.39Å; S273-G276 WeakPolarHBondContact O-CA 3.46Å; S273-G276 PolarHBondContact O-N 2.78Å; S273-N277 PolarHBondContact O-N 3.06Å; S273-N277 PolarHBondContact O-OD1 2.85Å |
| 274 | A | 88.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.6 | -44 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L270 G276 N277 V278 D294 T298 | L270-A274 VanDerWaalsContact O-CB 3.26Å; L270-A274 WeakPolarHBondContact O-CB 3.45Å; L270-A274 PolarHBondContact O-N 2.83Å; A274-G276 VanDerWaalsContact C-N 3.31Å; A274-G276 PolarHBondContact O-N 2.94Å; A274-N277 PolarHBondContact O-N 3.29Å; A274-V278 WeakPolarHBondContact O-CG2 3.39Å; A274-V278 PolarHBondContact O-N 3.2Å; A274-D294 HydrophobicContact CB-CB 3.8Å; A274-T298 HydrophobicContact CB-CG2 4.1Å |
| 275 | L | 90.9 | Very high | 81.3 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -41.8 | 173.8 | -162.7 | 72.2 | 0 | 0 | 0 | 111.4 | L246 S271 L272 S273 V278 I279 L297 T298 L301 L305 Y333 | L246-L275 HydrophobicContact CD1-CD2 4.04Å; S271-L275 WeakPolarHBondContact O-CB 3.41Å; S271-L275 PolarHBondContact O-N 2.81Å; S271-L275 VanDerWaalsContact O-N 3.16Å; L272-L275 HydrophobicContact CD2-CD2 4.43Å; L272-L275 WeakPolarHBondContact O-CB 3.45Å; L272-L275 PolarHBondContact O-N 2.86Å; S273-L275 VanDerWaalsContact C-N 3.3Å; S273-L275 PolarHBondContact O-N 2.95Å; L275-V278 PolarHBondContact O-N 2.87Å; L275-I279 WeakPolarHBondContact O-CG1 3.36Å; L275-I279 PolarHBondContact O-N 3.21Å; L275-L297 HydrophobicContact CD2-CD2 4.41Å; L275-T298 HydrophobicContact CB-CG2 4.05Å; L275-T298 HydrophobicContact CD1-CG2 3.81Å; L275-L301 HydrophobicContact CD1-CD1 4.33Å; L275-L305 HydrophobicContact CD1-CD1 3.58Å; L275-Y333 VanDerWaalsContact CB-OH 3.3Å; L275-Y333 WeakPolarHBondContact CB-OH 3.44Å; L275-Y333 WeakPolarHBondContact CD2-OH 3.36Å; L275-Y333 WeakPolarHBondContact CG-OH 3.17Å; L275-Y333 PolarHBondContact O-OH 2.88Å |
| 276 | G | 88.5 | Confident | 82 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L272 S273 A274 I279 S280 Y333 | L272-G276 PolarHBondContact O-N 3.44Å; S273-G276 CarbonylContact O-C 3.39Å; S273-G276 WeakPolarHBondContact O-CA 3.46Å; S273-G276 PolarHBondContact O-N 2.78Å; A274-G276 VanDerWaalsContact C-N 3.31Å; A274-G276 PolarHBondContact O-N 2.94Å; G276-I279 PolarHBondContact O-N 2.91Å; G276-S280 WeakPolarHBondContact O-CB 3.43Å; G276-S280 PolarHBondContact O-N 3.41Å; G276-S280 PolarHBondContact O-OG 2.87Å; G276-Y333 VanDerWaalsContact CA-CE2 3.42Å; G276-Y333 PolarHBondContact N-OH 2.81Å; G276-Y333 VanDerWaalsContact N-OH 3.13Å |
| 277 | N | 87.6 | Confident | 82.6 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 47% | 0.471 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 175 | -67.8 | -10.6 | 0 | 0 | 0 | 110.9 | S273 A274 S280 A281 P291 | S273-N277 PolarHBondContact O-N 3.06Å; S273-N277 PolarHBondContact O-OD1 2.85Å; A274-N277 PolarHBondContact O-N 3.29Å; N277-S280 PolarHBondContact O-N 2.83Å; N277-A281 VanDerWaalsContact O-CB 3.27Å; N277-A281 WeakPolarHBondContact O-CB 3.37Å; N277-A281 PolarHBondContact O-N 2.85Å; N277-P291 HydrophobicContact CB-CG 4.1Å |
| 278 | V | 91.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 174.1 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | A274 L275 A281 L282 I290 P291 Y292 T298 L305 | A274-V278 WeakPolarHBondContact O-CG2 3.39Å; A274-V278 PolarHBondContact O-N 3.2Å; L275-V278 PolarHBondContact O-N 2.87Å; V278-A281 PolarHBondContact O-N 2.87Å; V278-L282 HydrophobicContact CG1-CD1 3.83Å; V278-L282 WeakPolarHBondContact O-CB 3.44Å; V278-L282 VanDerWaalsContact O-CG 3.28Å; V278-L282 WeakPolarHBondContact O-CG 3.39Å; V278-L282 PolarHBondContact O-N 3.46Å; V278-I290 HydrophobicContact CB-CG2 4.29Å; V278-I290 HydrophobicContact CG1-CG2 3.91Å; V278-I290 HydrophobicContact CG2-CG2 4.19Å; V278-P291 HydrophobicContact CG2-CG 4.14Å; V278-P291 WeakPolarHBondContact CG2-O 3.37Å; V278-Y292 HydrophobicContact CG1-CD1 3.82Å; V278-Y292 HydrophobicContact CG1-CE1 3.48Å; V278-Y292 VanDerWaalsContact CG1-CE1 3.48Å; V278-Y292 HydrophobicContact CG2-CD1 4.03Å; V278-Y292 HydrophobicContact CG2-CE1 4.46Å; V278-T298 HydrophobicContact CB-CG2 4.41Å; V278-T298 HydrophobicContact CG2-CG2 3.86Å; V278-L305 HydrophobicContact CG1-CB 4.41Å; V278-L305 HydrophobicContact CG1-CD1 4.15Å |
| 279 | I | 90.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 179.1 | -70 | -173.5 | 0 | 0 | 0 | 111.6 | L275 G276 L282 V283 Y333 R336 A337 I340 | L275-I279 WeakPolarHBondContact O-CG1 3.36Å; L275-I279 PolarHBondContact O-N 3.21Å; G276-I279 PolarHBondContact O-N 2.91Å; I279-L282 PolarHBondContact O-N 3.42Å; I279-V283 VanDerWaalsContact O-CG2 3.25Å; I279-V283 WeakPolarHBondContact O-CG2 3.29Å; I279-V283 PolarHBondContact O-N 3.45Å; I279-Y333 HydrophobicContact CD1-CD1 4.27Å; I279-Y333 HydrophobicContact CD1-CE1 3.45Å; I279-Y333 VanDerWaalsContact CD1-CE1 3.45Å; I279-R336 HydrophobicContact CG2-CB 3.91Å; I279-A337 HydrophobicContact CD1-CB 4.05Å; I279-A337 HydrophobicContact CG2-CB 4.35Å; I279-I340 HydrophobicContact CB-CD1 4.24Å; I279-I340 HydrophobicContact CD1-CD1 4.24Å; I279-I340 HydrophobicContact CG1-CD1 3.76Å; I279-I340 HydrophobicContact CG2-CD1 4.07Å |
| 280 | S | 86.9 | Confident | 85.1 | Confident | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -45.2 | -179.5 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | G276 N277 L282 V283 D284 R336 | G276-S280 WeakPolarHBondContact O-CB 3.43Å; G276-S280 PolarHBondContact O-N 3.41Å; G276-S280 PolarHBondContact O-OG 2.87Å; N277-S280 PolarHBondContact O-N 2.83Å; S280-L282 VanDerWaalsContact C-N 3.31Å; S280-L282 PolarHBondContact O-N 2.8Å; S280-V283 PolarHBondContact O-N 2.77Å; S280-V283 VanDerWaalsContact O-N 3.13Å; S280-D284 WeakPolarHBondContact O-CB 3.48Å; S280-D284 VanDerWaalsContact O-CG 3.25Å; S280-D284 PolarHBondContact O-N 2.73Å; S280-R336 PolarHBondContact OG-NH1 2.85Å |
| 281 | A | 88.3 | Confident | 85.6 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -35.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | N277 V278 V283 I290 | N277-A281 VanDerWaalsContact O-CB 3.27Å; N277-A281 WeakPolarHBondContact O-CB 3.37Å; N277-A281 PolarHBondContact O-N 2.85Å; V278-A281 PolarHBondContact O-N 2.87Å; A281-V283 VanDerWaalsContact C-N 3.33Å; A281-I290 HydrophobicContact CB-CD1 3.73Å |
| 282 | L | 88.8 | Confident | 86 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.8 | -27.1 | 176.6 | -80.1 | 168.4 | 0 | 0 | 0 | 113.8 | V278 I279 S280 I290 L305 I340 | V278-L282 HydrophobicContact CG1-CD1 3.83Å; V278-L282 WeakPolarHBondContact O-CB 3.44Å; V278-L282 VanDerWaalsContact O-CG 3.28Å; V278-L282 WeakPolarHBondContact O-CG 3.39Å; V278-L282 PolarHBondContact O-N 3.46Å; I279-L282 PolarHBondContact O-N 3.42Å; S280-L282 VanDerWaalsContact C-N 3.31Å; S280-L282 PolarHBondContact O-N 2.8Å; L282-I290 HydrophobicContact CD2-CD1 4.06Å; L282-I290 HydrophobicContact CD2-CG1 4.03Å; L282-I290 HydrophobicContact CD2-CG2 4.42Å; L282-I290 HydrophobicContact CG-CD1 4.17Å; L282-I290 HydrophobicContact CG-CG1 4.39Å; L282-I290 HydrophobicContact CG-CG2 4.06Å; L282-L305 HydrophobicContact CD1-CB 3.91Å; L282-I340 HydrophobicContact CB-CG1 4.21Å; L282-I340 HydrophobicContact CD1-CD1 4.35Å; L282-I340 HydrophobicContact CD1-CG1 4.47Å; L282-I340 HydrophobicContact CD1-CG2 4.05Å |
| 283 | V | 86.9 | Confident | 86.2 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -96.2 | -34.9 | -174.7 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | I279 S280 A281 G285 R336 N339 I340 | I279-V283 VanDerWaalsContact O-CG2 3.25Å; I279-V283 WeakPolarHBondContact O-CG2 3.29Å; I279-V283 PolarHBondContact O-N 3.45Å; S280-V283 PolarHBondContact O-N 2.77Å; S280-V283 VanDerWaalsContact O-N 3.13Å; A281-V283 VanDerWaalsContact C-N 3.33Å; V283-G285 PolarHBondContact O-N 3.12Å; V283-R336 VanDerWaalsContact CG2-O 3.3Å; V283-R336 WeakPolarHBondContact CG2-O 3.41Å; V283-N339 HydrophobicContact CG1-CB 3.85Å; V283-N339 HydrophobicContact CG2-CB 4.04Å; V283-I340 HydrophobicContact CG2-CG1 3.86Å |
| 284 | D | 79.6 | Confident | 86.3 | Confident | 99 Ų | 99 | 60 Ų | 60 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.8 | -21.2 | -177.4 | -75.8 | -11.3 | 0 | 0 | 0 | 113.8 | S280 K286 | S280-D284 WeakPolarHBondContact O-CB 3.48Å; S280-D284 VanDerWaalsContact O-CG 3.25Å; S280-D284 PolarHBondContact O-N 2.73Å; D284-K286 PolarHBondContact O-N 2.7Å |
| 285 | G | 72.5 | Confident | 86.5 | Confident | 74 Ų | 74 | 60 Ų | 60 | 76% | 0.763 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 66.5 | -6.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V283 | V283-G285 PolarHBondContact O-N 3.12Š|
| 286 | K | 78.4 | Confident | 86.5 | Confident | 182 Ų | 182 | 63.4 Ų | 63.4 | 79% | 0.791 | 34% | 0.342 | S | S | * | . | trans | -89.7 | -23.4 | 178.4 | -64.1 | 165.1 | -170.6 | 169 | 0 | 112.9 | D284 T288 | D284-K286 PolarHBondContact O-N 2.7Å; K286-T288 PolarHBondContact O-N 3.22Å | ||
| 287 | S | 77.3 | Confident | 86.7 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | trans | -86.8 | 107.3 | -172.6 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | H289 | S287-H289 VanDerWaalsContact C-N 3.31Š| ||
| 288 | T | 80.2 | Confident | 87 | Confident | 149 Ų | 149 | 58.7 Ų | 58.7 | 91% | 0.914 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -68.5 | -30.7 | 175.8 | -46.9 | 0 | 0 | 0 | 0 | 112.7 | K286 | K286-T288 PolarHBondContact O-N 3.22Š|
| 289 | H | 86.4 | Confident | 87.1 | Confident | 140 Ų | 140 | 61 Ų | 61 | 65% | 0.648 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -109 | 133.2 | 177.8 | 178.9 | -95.4 | 0 | 0 | 0 | 110 | S287 | S287-H289 VanDerWaalsContact C-N 3.31Š|
| 290 | I | 90.2 | Very high | 87.2 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | trans | -109.1 | 125.3 | 176.9 | -50.9 | -59.3 | 0 | 0 | 0 | 108.5 | V278 A281 L282 Y292 | V278-I290 HydrophobicContact CB-CG2 4.29Å; V278-I290 HydrophobicContact CG1-CG2 3.91Å; V278-I290 HydrophobicContact CG2-CG2 4.19Å; A281-I290 HydrophobicContact CB-CD1 3.73Å; L282-I290 HydrophobicContact CD2-CD1 4.06Å; L282-I290 HydrophobicContact CD2-CG1 4.03Å; L282-I290 HydrophobicContact CD2-CG2 4.42Å; L282-I290 HydrophobicContact CG-CD1 4.17Å; L282-I290 HydrophobicContact CG-CG1 4.39Å; L282-I290 HydrophobicContact CG-CG2 4.06Å; I290-Y292 HydrophobicContact CB-CD2 4.04Å; I290-Y292 HydrophobicContact CB-CE2 3.53Å; I290-Y292 HydrophobicContact CG1-CE2 4.32Å; I290-Y292 HydrophobicContact CG2-CD1 4.33Å; I290-Y292 HydrophobicContact CG2-CD2 4.03Å; I290-Y292 HydrophobicContact CG2-CE1 3.85Å; I290-Y292 HydrophobicContact CG2-CE2 3.54Å; I290-Y292 HydrophobicContact CG2-CG 4.39Å; I290-Y292 VanDerWaalsContact CG2-CZ 3.41Å; I290-Y292 PolarHBondContact O-N 2.92Å | ||
| 291 | P | 91 | Very high | 87.5 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | trans | -80.9 | 56.9 | -168.8 | 33.8 | -37.7 | 0 | 0 | 0 | 113.5 | N277 V278 R293 D294 | N277-P291 HydrophobicContact CB-CG 4.1Å; V278-P291 HydrophobicContact CG2-CG 4.14Å; V278-P291 WeakPolarHBondContact CG2-O 3.37Å; P291-R293 PolarHBondContact O-N 3.43Å; P291-D294 PolarHBondContact O-N 3.4Å | ||
| 292 | Y | 91.9 | Very high | 87.7 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -63 | -24.5 | 178.3 | -61.1 | -72 | 0 | 0 | 0 | 113.1 | V278 I290 D294 T298 R299 Q302 L305 | V278-Y292 HydrophobicContact CG1-CD1 3.82Å; V278-Y292 HydrophobicContact CG1-CE1 3.48Å; V278-Y292 VanDerWaalsContact CG1-CE1 3.48Å; V278-Y292 HydrophobicContact CG2-CD1 4.03Å; V278-Y292 HydrophobicContact CG2-CE1 4.46Å; I290-Y292 HydrophobicContact CB-CD2 4.04Å; I290-Y292 HydrophobicContact CB-CE2 3.53Å; I290-Y292 HydrophobicContact CG1-CE2 4.32Å; I290-Y292 HydrophobicContact CG2-CD1 4.33Å; I290-Y292 HydrophobicContact CG2-CD2 4.03Å; I290-Y292 HydrophobicContact CG2-CE1 3.85Å; I290-Y292 HydrophobicContact CG2-CE2 3.54Å; I290-Y292 HydrophobicContact CG2-CG 4.39Å; I290-Y292 VanDerWaalsContact CG2-CZ 3.41Å; I290-Y292 PolarHBondContact O-N 2.92Å; Y292-D294 VanDerWaalsContact C-N 3.33Å; Y292-D294 PolarHBondContact O-N 3.22Å; Y292-T298 CarbonylContact O-C 3.59Å; Y292-T298 VanDerWaalsContact O-CB 3.3Å; Y292-T298 WeakPolarHBondContact O-CB 3.4Å; Y292-T298 PolarHBondContact O-OG1 3.37Å; Y292-R299 WeakPolarHBondContact O-CG 3.46Å; Y292-R299 PolarHBondContact O-N 2.89Å; Y292-R299 VanDerWaalsContact O-N 3.11Å; Y292-Q302 HydrophobicContact CD1-CB 3.97Å; Y292-Q302 HydrophobicContact CD1-CG 3.92Å; Y292-Q302 HydrophobicContact CD2-CG 3.77Å; Y292-Q302 HydrophobicContact CE1-CB 4.38Å; Y292-Q302 HydrophobicContact CE1-CG 4.15Å; Y292-Q302 HydrophobicContact CE2-CG 3.98Å; Y292-Q302 HydrophobicContact CG-CB 4.13Å; Y292-Q302 HydrophobicContact CG-CG 3.75Å; Y292-L305 HydrophobicContact CE1-CB 4.5Å; Y292-L305 PolarHBondContact OH-O 2.88Å |
| 293 | R | 90 | Very high | 87.8 | Confident | 173 Ų | 173 | 64 Ų | 64 | 65% | 0.653 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -76 | -17.2 | -174.1 | -68.7 | -174.9 | 173.8 | -165.5 | -3.3 | 114.3 | P291 S295 | P291-R293 PolarHBondContact O-N 3.43Å; R293-S295 PolarHBondContact O-N 2.92Å; R293-S295 VanDerWaalsContact O-N 3.12Å |
| 294 | D | 86.6 | Confident | 88.1 | Confident | 80 Ų | 80 | 62.1 Ų | 62.1 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -63.6 | -16.9 | -176 | -64.6 | 21.2 | 0 | 0 | 0 | 113.9 | A274 P291 Y292 | A274-D294 HydrophobicContact CB-CB 3.8Å; P291-D294 PolarHBondContact O-N 3.4Å; Y292-D294 VanDerWaalsContact C-N 3.33Å; Y292-D294 PolarHBondContact O-N 3.22Å |
| 295 | S | 92 | Very high | 88.7 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | trans | -149.1 | 155.1 | 168.7 | 75.3 | 0 | 0 | 0 | 0 | 113 | E150 R293 L297 T298 R299 | E150-S295 WeakPolarHBondContact OE2-CA 3.41Å; E150-S295 WeakPolarHBondContact OE2-CB 3.3Å; R293-S295 PolarHBondContact O-N 2.92Å; R293-S295 VanDerWaalsContact O-N 3.12Å; S295-L297 PolarHBondContact O-N 3.31Å; S295-T298 PolarHBondContact N-OG1 3.06Å; S295-T298 PolarHBondContact O-N 3.32Å; S295-T298 PolarHBondContact O-OG1 3.47Å; S295-T298 PolarHBondContact OG-N 2.97Å; S295-T298 PolarHBondContact OG-OG1 3Å; S295-R299 WeakPolarHBondContact O-CG 3.27Å; S295-R299 PolarHBondContact O-N 3.24Å; S295-R299 VanDerWaalsContact O-N 3.1Å | ||
| 296 | K | 91.9 | Very high | 89.4 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 32% | 0.317 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -33.2 | 172.7 | -54.4 | -65.1 | 176.9 | 168.7 | 0 | 111.4 | I147 E150 I152 L166 L300 | I147-K296 HydrophobicContact CG2-CB 4.42Å; E150-K296 WeakPolarHBondContact O-CG 3.33Å; E150-K296 WeakPolarHBondContact OE2-CG 3.4Å; E150-K296 PolarHBondContact OE2-N 2.66Å; I152-K296 HydrophobicContact CD1-CB 4.39Å; I152-K296 HydrophobicContact CG1-CB 4.44Å; L166-K296 HydrophobicContact CD1-CB 3.99Å; L166-K296 HydrophobicContact CD1-CD 3.85Å; L166-K296 HydrophobicContact CD1-CG 4.48Å; L166-K296 HydrophobicContact CG-CD 4.36Å; K296-L300 PolarHBondContact O-N 3.31Å |
| 297 | L | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -50.8 | 176 | 178.4 | 67.1 | 0 | 0 | 0 | 111.4 | I147 H216 I218 L246 L272 L275 S295 R299 L300 L301 | I147-L297 HydrophobicContact CD1-CB 4.04Å; I147-L297 HydrophobicContact CD1-CD1 4.02Å; H216-L297 HydrophobicContact CB-CD1 4.28Å; I218-L297 HydrophobicContact CD1-CD1 4.26Å; L246-L297 HydrophobicContact CD2-CD1 3.89Å; L246-L297 HydrophobicContact CD2-CD2 3.85Å; L246-L297 HydrophobicContact CD2-CG 4.49Å; L272-L297 HydrophobicContact CD2-CD2 4.43Å; L275-L297 HydrophobicContact CD2-CD2 4.41Å; S295-L297 PolarHBondContact O-N 3.31Å; L297-R299 VanDerWaalsContact C-N 3.33Å; L297-R299 PolarHBondContact O-N 2.74Å; L297-L300 PolarHBondContact O-N 2.82Å; L297-L301 HydrophobicContact CD1-CD1 3.76Å; L297-L301 HydrophobicContact CD1-CG 4.26Å; L297-L301 HydrophobicContact CG-CD1 4.15Å; L297-L301 WeakPolarHBondContact O-CB 3.5Å; L297-L301 WeakPolarHBondContact O-CG 3.39Å; L297-L301 PolarHBondContact O-N 2.72Å |
| 298 | T | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | 179.9 | 44.3 | 0 | 0 | 0 | 0 | 113 | A274 L275 V278 Y292 S295 Q302 | A274-T298 HydrophobicContact CB-CG2 4.1Å; L275-T298 HydrophobicContact CB-CG2 4.05Å; L275-T298 HydrophobicContact CD1-CG2 3.81Å; V278-T298 HydrophobicContact CB-CG2 4.41Å; V278-T298 HydrophobicContact CG2-CG2 3.86Å; Y292-T298 CarbonylContact O-C 3.59Å; Y292-T298 VanDerWaalsContact O-CB 3.3Å; Y292-T298 WeakPolarHBondContact O-CB 3.4Å; Y292-T298 PolarHBondContact O-OG1 3.37Å; S295-T298 PolarHBondContact N-OG1 3.06Å; S295-T298 PolarHBondContact O-N 3.32Å; S295-T298 PolarHBondContact O-OG1 3.47Å; S295-T298 PolarHBondContact OG-N 2.97Å; S295-T298 PolarHBondContact OG-OG1 3Å; T298-Q302 PolarHBondContact O-N 2.81Å |
| 299 | R | 93 | Very high | 91.2 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 170.6 | -68.7 | -169.2 | 73 | 179.2 | -0.5 | 112.2 | L166 E168 V174 Y292 S295 L297 L301 Q302 | L166-R299 HydrophobicContact CD1-CB 3.75Å; E168-R299 IonicContact OE2-NH2 3.49Å; E168-R299 PolarHBondContact OE2-NH2 2.92Å; V174-R299 HydrophobicContact CG1-CB 4.34Å; Y292-R299 WeakPolarHBondContact O-CG 3.46Å; Y292-R299 PolarHBondContact O-N 2.89Å; Y292-R299 VanDerWaalsContact O-N 3.11Å; S295-R299 WeakPolarHBondContact O-CG 3.27Å; S295-R299 PolarHBondContact O-N 3.24Å; S295-R299 VanDerWaalsContact O-N 3.1Å; L297-R299 VanDerWaalsContact C-N 3.33Å; L297-R299 PolarHBondContact O-N 2.74Å; R299-L301 VanDerWaalsContact C-N 3.35Å; R299-Q302 VanDerWaalsContact O-CB 3.3Å; R299-Q302 WeakPolarHBondContact O-CB 3.43Å; R299-Q302 PolarHBondContact O-N 3.08Å |
| 300 | L | 92.9 | Very high | 91.7 | Very high | 33 Ų | 33 | 34.2 Ų | 34.2 | 17% | 0.173 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.7 | -32.1 | 177 | -81.7 | 167 | 0 | 0 | 0 | 113.2 | I147 I152 L166 V176 I218 K296 L297 | I147-L300 HydrophobicContact CD1-CD1 3.78Å; I152-L300 HydrophobicContact CD1-CD1 4.03Å; L166-L300 HydrophobicContact CD1-CG 4.31Å; L166-L300 HydrophobicContact CD2-CD1 4.07Å; L166-L300 HydrophobicContact CD2-CD2 3.66Å; L166-L300 HydrophobicContact CD2-CG 3.7Å; V176-L300 HydrophobicContact CG2-CD1 4.39Å; V176-L300 HydrophobicContact CG2-CD2 3.82Å; I218-L300 HydrophobicContact CD1-CD1 4.41Å; K296-L300 PolarHBondContact O-N 3.31Å; L297-L300 PolarHBondContact O-N 2.82Å |
| 301 | L | 92.8 | Very high | 92 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 8.8 | 178.7 | -60.3 | -177.3 | 0 | 0 | 0 | 113.7 | T91 V244 L275 L297 R299 D303 S304 L305 | T91-L301 HydrophobicContact CG2-CD2 4.28Å; V244-L301 HydrophobicContact CG2-CD2 4.08Å; L275-L301 HydrophobicContact CD1-CD1 4.33Å; L297-L301 HydrophobicContact CD1-CD1 3.76Å; L297-L301 HydrophobicContact CD1-CG 4.26Å; L297-L301 HydrophobicContact CG-CD1 4.15Å; L297-L301 WeakPolarHBondContact O-CB 3.5Å; L297-L301 WeakPolarHBondContact O-CG 3.39Å; L297-L301 PolarHBondContact O-N 2.72Å; R299-L301 VanDerWaalsContact C-N 3.35Å; L301-D303 VanDerWaalsContact C-N 3.32Å; L301-D303 PolarHBondContact O-N 3.34Å; L301-S304 WeakPolarHBondContact O-CA 3.45Å; L301-S304 VanDerWaalsContact O-CB 3.28Å; L301-S304 WeakPolarHBondContact O-CB 3.49Å; L301-S304 PolarHBondContact O-N 2.92Å; L301-L305 PolarHBondContact O-N 3Å; L301-L305 VanDerWaalsContact O-N 3.14Å |
| 302 | Q | 92.3 | Very high | 92.3 | Very high | 50 Ų | 50 | 32.1 Ų | 32.1 | 23% | 0.234 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -55.3 | -42.9 | -179.2 | -179.4 | 172.3 | -44.5 | 0 | 0 | 112.5 | Y292 T298 R299 S304 L305 | Y292-Q302 HydrophobicContact CD1-CB 3.97Å; Y292-Q302 HydrophobicContact CD1-CG 3.92Å; Y292-Q302 HydrophobicContact CD2-CG 3.77Å; Y292-Q302 HydrophobicContact CE1-CB 4.38Å; Y292-Q302 HydrophobicContact CE1-CG 4.15Å; Y292-Q302 HydrophobicContact CE2-CG 3.98Å; Y292-Q302 HydrophobicContact CG-CB 4.13Å; Y292-Q302 HydrophobicContact CG-CG 3.75Å; T298-Q302 PolarHBondContact O-N 2.81Å; R299-Q302 VanDerWaalsContact O-CB 3.3Å; R299-Q302 WeakPolarHBondContact O-CB 3.43Å; R299-Q302 PolarHBondContact O-N 3.08Å; Q302-S304 VanDerWaalsContact C-N 3.26Å; Q302-S304 PolarHBondContact O-N 2.97Å; Q302-L305 PolarHBondContact O-N 2.67Å |
| 303 | D | 90.8 | Very high | 92.6 | Very high | 56 Ų | 56 | 30.5 Ų | 30.5 | 30% | 0.299 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -70.2 | -23 | 175.2 | -75.6 | -48.9 | 0 | 0 | 0 | 113.7 | L301 G307 N308 A309 | L301-D303 VanDerWaalsContact C-N 3.32Å; L301-D303 PolarHBondContact O-N 3.34Å; D303-G307 CarbonylContact O-C 3.53Å; D303-G307 VanDerWaalsContact O-CA 3.32Å; D303-G307 WeakPolarHBondContact O-CA 3.42Å; D303-N308 CarbonylContact O-C 3.59Å; D303-N308 PolarHBondContact O-N 2.8Å; D303-A309 WeakPolarHBondContact O-CB 3.34Å; D303-A309 PolarHBondContact O-N 3.29Å |
| 304 | S | 93.4 | Very high | 93 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -81.6 | -21.1 | -179.2 | -51.7 | 0 | 0 | 0 | 0 | 113.1 | T91 L301 Q302 T311 N342 | T91-S304 WeakPolarHBondContact CB-OG 3.1Å; T91-S304 PolarHBondContact OG1-OG 3.23Å; L301-S304 WeakPolarHBondContact O-CA 3.45Å; L301-S304 VanDerWaalsContact O-CB 3.28Å; L301-S304 WeakPolarHBondContact O-CB 3.49Å; L301-S304 PolarHBondContact O-N 2.92Å; Q302-S304 VanDerWaalsContact C-N 3.26Å; Q302-S304 PolarHBondContact O-N 2.97Å; S304-T311 WeakPolarHBondContact O-CB 3.49Å; S304-T311 PolarHBondContact O-OG1 3.46Å; S304-N342 PolarHBondContact O-ND2 2.89Å |
| 305 | L | 92.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -123.4 | 95.6 | -175.5 | -60.2 | 175.1 | 0 | 0 | 0 | 108.6 | F93 L275 V278 L282 Y292 L301 Q302 G307 I340 | F93-L305 HydrophobicContact CE1-CD2 4.3Å; F93-L305 HydrophobicContact CZ-CD2 4.44Å; L275-L305 HydrophobicContact CD1-CD1 3.58Å; V278-L305 HydrophobicContact CG1-CB 4.41Å; V278-L305 HydrophobicContact CG1-CD1 4.15Å; L282-L305 HydrophobicContact CD1-CB 3.91Å; Y292-L305 HydrophobicContact CE1-CB 4.5Å; Y292-L305 PolarHBondContact OH-O 2.88Å; L301-L305 PolarHBondContact O-N 3Å; L301-L305 VanDerWaalsContact O-N 3.14Å; Q302-L305 PolarHBondContact O-N 2.67Å; L305-G307 VanDerWaalsContact C-N 3.32Å; L305-G307 PolarHBondContact O-N 3.07Å; L305-I340 HydrophobicContact CD2-CD1 4.09Å |
| 306 | G | 87.3 | Confident | 93.8 | Very high | 21 Ų | 21 | 18.4 Ų | 18.4 | 22% | 0.216 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 84.1 | -6.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N342 | G306-N342 WeakPolarHBondContact CA-OD1 3.23Å; G306-N342 PolarHBondContact N-OD1 2.74Å |
| 307 | G | 90.2 | Very high | 94 | Very high | 19 Ų | 19 | 15 Ų | 15 | 20% | 0.196 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -101 | -150.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | D303 L305 A309 K343 | D303-G307 CarbonylContact O-C 3.53Å; D303-G307 VanDerWaalsContact O-CA 3.32Å; D303-G307 WeakPolarHBondContact O-CA 3.42Å; L305-G307 VanDerWaalsContact C-N 3.32Å; L305-G307 PolarHBondContact O-N 3.07Å; G307-A309 PolarHBondContact O-N 3.48Å; G307-K343 PolarHBondContact O-N 2.82Å |
| 308 | N | 91.6 | Very high | 94 | Very high | 39 Ų | 39 | 15 Ų | 15 | 21% | 0.209 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -91 | 66.7 | -179.1 | -178.4 | 31.5 | 0 | 0 | 0 | 112.3 | N89 D303 R345 N347 | N89-N308 WeakPolarHBondContact CB-O 3.42Å; N89-N308 PolarHBondContact ND2-O 2.94Å; D303-N308 CarbonylContact O-C 3.59Å; D303-N308 PolarHBondContact O-N 2.8Å; N308-R345 PolarHBondContact OD1-N 3.35Å; N308-N347 PolarHBondContact ND2-OD1 3.37Å |
| 309 | A | 93.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -154.2 | 155.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N89 D303 G307 N342 | N89-A309 HydrophobicContact CB-CB 3.73Å; N89-A309 WeakPolarHBondContact O-CA 3.05Å; D303-A309 WeakPolarHBondContact O-CB 3.34Å; D303-A309 PolarHBondContact O-N 3.29Å; G307-A309 PolarHBondContact O-N 3.48Å; A309-N342 VanDerWaalsContact O-CB 3.25Å; A309-N342 WeakPolarHBondContact O-CB 3.32Å; A309-N342 PolarHBondContact O-ND2 2.88Å |
| 310 | K | 96.1 | Very high | 94.1 | Very high | 31 Ų | 31 | 12.7 Ų | 12.7 | 14% | 0.135 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 140.4 | 160.1 | -62.4 | -170.1 | -174.7 | 179.9 | 0 | 108.2 | E8 L80 S83 N89 G90 T91 P344 | E8-K310 WeakPolarHBondContact OE2-CD 3.39Å; E8-K310 WeakPolarHBondContact OE2-CE 3.27Å; E8-K310 WeakPolarHBondContact OE2-CG 3.26Å; L80-K310 HydrophobicContact CD1-CB 3.33Å; S83-K310 PolarHBondContact OG-NZ 3.39Å; N89-K310 PolarHBondContact O-N 2.95Å; G90-K310 CarbonylContact C-O 3.55Å; G90-K310 VanDerWaalsContact CA-O 3.31Å; G90-K310 WeakPolarHBondContact CA-O 3.21Å; T91-K310 PolarHBondContact N-O 3.06Å; K310-P344 HydrophobicContact CG-CB 3.62Å; K310-P344 HydrophobicContact CG-CG 3.9Å |
| 311 | T | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 12.2 Ų | 12.2 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.3 | -171.6 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | V10 R11 T91 F93 S304 N342 | V10-T311 HydrophobicContact CG1-CG2 4.07Å; R11-T311 PolarHBondContact N-O 3.3Å; T91-T311 HydrophobicContact CG2-CG2 4.35Å; T91-T311 CarbonylContact O-C 3.55Å; T91-T311 WeakPolarHBondContact O-CA 3.34Å; F93-T311 HydrophobicContact CD1-CG2 3.99Å; F93-T311 HydrophobicContact CE1-CG2 3.68Å; S304-T311 WeakPolarHBondContact O-CB 3.49Å; S304-T311 PolarHBondContact O-OG1 3.46Å; T311-N342 PolarHBondContact OG1-ND2 3.39Å |
| 312 | V | 97.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.6 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | R11 T76 F77 L80 T91 I92 F93 V314 | R11-V312 HydrophobicContact CB-CG2 4.38Å; R11-V312 CarbonylContact O-C 3.24Å; R11-V312 WeakPolarHBondContact O-CA 3.42Å; T76-V312 HydrophobicContact CG2-CG1 3.65Å; F77-V312 HydrophobicContact CD1-CG1 4.16Å; F77-V312 HydrophobicContact CE1-CG1 3.88Å; L80-V312 HydrophobicContact CB-CG2 4.49Å; L80-V312 HydrophobicContact CD1-CG2 4.35Å; L80-V312 HydrophobicContact CD2-CG2 4.07Å; T91-V312 PolarHBondContact O-N 3.44Å; I92-V312 WeakPolarHBondContact CA-O 3.44Å; F93-V312 PolarHBondContact N-O 2.76Å; V312-V314 HydrophobicContact CG1-CG2 4.44Å |
| 313 | M | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.7 | 166.9 | 178.8 | -179.4 | 176 | 0 | 0 | 109.6 | R11 V12 V13 F93 Y95 A315 Y333 A334 A337 | R11-M313 PolarHBondContact O-N 3.18Å; V12-M313 HydrophobicContact CG1-CB 4.39Å; V12-M313 HydrophobicContact CG1-CG 4.46Å; V12-M313 HydrophobicContact CG1-SD 4.26Å; V12-M313 HydrophobicContact CG2-CB 4.14Å; V13-M313 PolarHBondContact N-O 2.69Å; F93-M313 HydrophobicContact CD2-CG 4.16Å; F93-M313 HydrophobicContact CE1-CB 3.9Å; F93-M313 HydrophobicContact CE1-CG 4.41Å; F93-M313 HydrophobicContact CE2-CB 3.9Å; F93-M313 HydrophobicContact CE2-CE 4.44Å; F93-M313 HydrophobicContact CE2-CG 3.47Å; F93-M313 VanDerWaalsContact CE2-CG 3.47Å; F93-M313 HydrophobicContact CE2-SD 3.97Å; F93-M313 HydrophobicContact CZ-CB 3.55Å; F93-M313 HydrophobicContact CZ-CG 3.63Å; F93-M313 HydrophobicContact CZ-SD 4.04Å; Y95-M313 HydrophobicContact CD1-CE 3.54Å; Y95-M313 HydrophobicContact CE1-CE 4.4Å; Y95-M313 HydrophobicContact CG-CE 3.78Å; M313-A315 HydrophobicContact CE-CB 4.2Å; M313-Y333 HydrophobicContact CE-CD1 3.73Å; M313-Y333 HydrophobicContact CE-CE1 4.2Å; M313-Y333 HydrophobicContact SD-CD1 4.47Å; M313-A334 HydrophobicContact CE-CB 3.98Å; M313-A334 HydrophobicContact SD-CB 4.3Å; M313-A337 HydrophobicContact SD-CB 3.62Å |
| 314 | V | 97.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 110.1 | 168.6 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | V13 R15 F77 I92 F93 A94 Y95 T105 V312 N316 | V13-V314 HydrophobicContact CG2-CB 4.32Å; V13-V314 HydrophobicContact CG2-CG1 4.18Å; V13-V314 HydrophobicContact CG2-CG2 3.97Å; V13-V314 WeakPolarHBondContact O-CA 3.21Å; R15-V314 HydrophobicContact CB-CG1 4.4Å; F77-V314 HydrophobicContact CE1-CG2 3.57Å; F77-V314 HydrophobicContact CZ-CG2 3.55Å; I92-V314 HydrophobicContact CG2-CG2 4.33Å; F93-V314 PolarHBondContact O-N 2.78Å; A94-V314 WeakPolarHBondContact CA-O 3.43Å; Y95-V314 PolarHBondContact N-O 2.65Å; T105-V314 HydrophobicContact CG2-CG1 4.18Å; V312-V314 HydrophobicContact CG1-CG2 4.44Å; V314-N316 PolarHBondContact O-N 3.07Å |
| 315 | A | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 102.9 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | V13 V14 R15 M313 T330 A334 | V13-A315 PolarHBondContact O-N 2.65Å; V14-A315 CarbonylContact C-O 3.6Å; V14-A315 WeakPolarHBondContact CA-O 3.27Å; V14-A315 HydrophobicContact CG2-CB 4.13Å; R15-A315 PolarHBondContact N-O 2.84Å; M313-A315 HydrophobicContact CE-CB 4.2Å; A315-T330 HydrophobicContact CB-CG2 4.05Å; A315-A334 HydrophobicContact CB-CB 3.8Å |
| 316 | N | 97.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.9 | 178.8 | -69.4 | 109.8 | 0 | 0 | 0 | 111 | R15 Y95 T100 K102 T105 V314 | R15-N316 WeakPolarHBondContact O-CA 3.29Å; Y95-N316 PolarHBondContact O-N 2.97Å; T100-N316 WeakPolarHBondContact CB-O 3.36Å; T100-N316 WeakPolarHBondContact OG1-CB 3.31Å; T100-N316 PolarHBondContact OG1-O 2.9Å; K102-N316 WeakPolarHBondContact CA-OD1 3.4Å; K102-N316 HydrophobicContact CG-CB 4.16Å; T105-N316 PolarHBondContact OG1-ND2 2.82Å; V314-N316 PolarHBondContact O-N 3.07Å |
| 317 | I | 96.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.3 | -178.1 | 62.9 | 171.8 | 0 | 0 | 0 | 112.9 | V14 R15 C16 R17 V32 V41 T327 T330 L331 | V14-I317 HydrophobicContact CG1-CD1 3.61Å; V14-I317 HydrophobicContact CG1-CG1 3.87Å; R15-I317 PolarHBondContact O-N 2.72Å; C16-I317 HydrophobicContact CB-CD1 4.2Å; C16-I317 HydrophobicContact CB-CG1 3.91Å; R17-I317 PolarHBondContact N-O 2.9Å; V32-I317 HydrophobicContact CG1-CD1 3.85Å; V41-I317 HydrophobicContact CG1-CD1 4.01Å; I317-T327 HydrophobicContact CB-CG2 3.98Å; I317-T327 HydrophobicContact CD1-CG2 4.06Å; I317-T327 HydrophobicContact CG2-CG2 4.08Å; I317-T330 HydrophobicContact CG2-CG2 3.67Å; I317-L331 HydrophobicContact CD1-CD1 4.48Å; I317-L331 HydrophobicContact CD1-CD2 4.37Å |
| 318 | G | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -96.4 | 149.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | V32 | V32-G318 WeakPolarHBondContact CG2-O 3.41Š| ||
| 319 | P | 94.4 | Very high | 93 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | trans | -84 | -12.2 | -178.3 | 32.2 | -35.2 | 0 | 0 | 0 | 114.5 | R17 M19 K30 V31 | R17-P319 WeakPolarHBondContact O-CD 3.3Å; R17-P319 WeakPolarHBondContact O-CG 3.47Å; M19-P319 HydrophobicContact CB-CG 3.84Å; M19-P319 HydrophobicContact CG-CG 4.46Å; K30-P319 WeakPolarHBondContact CA-O 3.45Å; K30-P319 HydrophobicContact CG-CB 4.27Å; V31-P319 PolarHBondContact N-O 3.17Å | ||
| 320 | A | 93.1 | Very high | 93 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 141.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M19 E23 Y28 E29 Y322 N323 | M19-A320 HydrophobicContact CE-CB 3.79Å; E23-A320 HydrophobicContact CB-CB 4.15Å; E23-A320 HydrophobicContact CG-CB 3.79Å; Y28-A320 HydrophobicContact CD2-CB 4.46Å; E29-A320 CarbonylContact O-C 3.55Å; E29-A320 WeakPolarHBondContact O-CA 3.29Å; A320-Y322 PolarHBondContact O-N 3.02Å; A320-Y322 VanDerWaalsContact O-N 3.16Å; A320-N323 PolarHBondContact O-N 3.49Å |
| 321 | S | 90.5 | Very high | 92.9 | Very high | 23 Ų | 23 | 14.2 Ų | 14.2 | 16% | 0.161 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -52.3 | -36 | 179.8 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | E29 N323 V324 | E29-S321 PolarHBondContact N-OG 2.98Å; E29-S321 PolarHBondContact O-N 3.16Å; S321-N323 PolarHBondContact O-N 3.38Å; S321-V324 WeakPolarHBondContact O-CB 3.47Å; S321-V324 VanDerWaalsContact O-CG1 3.31Å; S321-V324 WeakPolarHBondContact O-CG1 3.4Å; S321-V324 PolarHBondContact O-N 2.99Å |
| 322 | Y | 87.3 | Confident | 92.6 | Very high | 124 Ų | 124 | 15.5 Ų | 15.5 | 49% | 0.486 | 7% | 0.073 | S | C | . | . | G | 310 helix | trans | -58 | -32 | 176.7 | -179.7 | -101.8 | 0 | 0 | 0 | 113.7 | Y28 A320 | Y28-Y322 HydrophobicContact CD2-CG 4.46Å; Y28-Y322 HydrophobicContact CE1-CD2 4.23Å; Y28-Y322 HydrophobicContact CE1-CG 4.37Å; Y28-Y322 HydrophobicContact CE2-CD1 4.36Å; Y28-Y322 HydrophobicContact CE2-CD2 4.28Å; Y28-Y322 AromaticContact CE2-CG 3.81Å; Y28-Y322 HydrophobicContact CE2-CG 3.81Å; Y28-Y322 AromaticContact CZ-CD2 3.76Å; Y28-Y322 AromaticContact CZ-CG 3.77Å; Y28-Y322 WeakPolarHBondContact OH-CD2 3.15Å; A320-Y322 PolarHBondContact O-N 3.02Å; A320-Y322 VanDerWaalsContact O-N 3.16Å |
| 323 | N | 87.1 | Confident | 92.2 | Very high | 13 Ų | 13 | 16.5 Ų | 16.5 | 7% | 0.07 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -102.1 | 16.2 | -176.2 | -65.5 | -46 | 0 | 0 | 0 | 113.1 | E23 Q97 A320 S321 E325 E326 T327 | E23-N323 PolarHBondContact OE1-ND2 3.43Å; Q97-N323 PolarHBondContact NE2-OD1 3.03Å; Q97-N323 VanDerWaalsContact OE1-CG 3.23Å; Q97-N323 PolarHBondContact OE1-OD1 3.28Å; A320-N323 PolarHBondContact O-N 3.49Å; S321-N323 PolarHBondContact O-N 3.38Å; N323-E325 VanDerWaalsContact C-N 3.34Å; N323-E325 PolarHBondContact O-N 3.14Å; N323-E326 PolarHBondContact O-N 2.77Å; N323-T327 WeakPolarHBondContact O-CB 3.31Å; N323-T327 PolarHBondContact O-N 3.05Å; N323-T327 PolarHBondContact O-OG1 3.01Å |
| 324 | V | 89.6 | Confident | 92.1 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.03 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.8 | -40.4 | -174.3 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | V31 V43 P46 S321 T327 L328 | V31-V324 HydrophobicContact CG2-CB 4.24Å; V31-V324 HydrophobicContact CG2-CG2 4.16Å; V43-V324 HydrophobicContact CG1-CG2 3.71Å; P46-V324 HydrophobicContact CG-CG1 4.22Å; S321-V324 WeakPolarHBondContact O-CB 3.47Å; S321-V324 VanDerWaalsContact O-CG1 3.31Å; S321-V324 WeakPolarHBondContact O-CG1 3.4Å; S321-V324 PolarHBondContact O-N 2.99Å; V324-T327 WeakPolarHBondContact O-CB 3.47Å; V324-T327 PolarHBondContact O-N 2.84Å; V324-L328 HydrophobicContact CG2-CD1 4.38Å; V324-L328 WeakPolarHBondContact O-CG 3.19Å; V324-L328 PolarHBondContact O-N 3.39Å |
| 325 | E | 85.7 | Confident | 91.8 | Very high | 74 Ų | 74 | 18.3 Ų | 18.3 | 35% | 0.346 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -61.6 | -54.5 | 179 | -66.2 | 164.7 | -168.2 | 0 | 0 | 111.2 | R47 K254 N323 T327 L328 T329 | R47-E325 IonicContact CZ-OE1 3.24Å; R47-E325 IonicContact NH1-OE1 3.26Å; R47-E325 PolarHBondContact NH1-OE1 2.84Å; R47-E325 IonicContact NH2-OE1 3.56Å; K254-E325 VanDerWaalsContact CE-OE2 3.32Å; K254-E325 WeakPolarHBondContact CE-OE2 3.49Å; K254-E325 IonicContact NZ-OE2 2.66Å; K254-E325 PolarHBondContact NZ-OE2 3.08Å; N323-E325 VanDerWaalsContact C-N 3.34Å; N323-E325 PolarHBondContact O-N 3.14Å; E325-T327 PolarHBondContact O-N 3.43Å; E325-L328 PolarHBondContact O-N 2.9Å; E325-L328 VanDerWaalsContact O-N 3.11Å; E325-T329 PolarHBondContact O-N 2.74Å; E325-T329 PolarHBondContact O-OG1 3.18Å |
| 326 | E | 87.9 | Confident | 91.4 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -31.5 | 179.8 | -52.4 | -57.2 | 149.5 | 0 | 0 | 111.8 | Q97 E250 K254 N323 T330 | Q97-E326 HydrophobicContact CB-CB 4.14Å; Q97-E326 HydrophobicContact CG-CB 4.2Å; Q97-E326 HydrophobicContact CG-CG 4.24Å; E250-E326 WeakPolarHBondContact CA-OE2 3.09Å; K254-E326 WeakPolarHBondContact CD-OE1 3.34Å; K254-E326 WeakPolarHBondContact CE-OE1 3.45Å; K254-E326 IonicContact NZ-OE1 2.6Å; K254-E326 PolarHBondContact NZ-OE1 3.2Å; N323-E326 PolarHBondContact O-N 2.77Å; E326-T330 VanDerWaalsContact O-CB 3.29Å; E326-T330 WeakPolarHBondContact O-CB 3.26Å; E326-T330 PolarHBondContact O-N 2.75Å; E326-T330 PolarHBondContact O-OG1 2.75Å |
| 327 | T | 92.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.7 | -44.2 | 174.3 | -62 | 0 | 0 | 0 | 0 | 111 | V32 V43 I317 N323 V324 E325 T330 L331 | V32-T327 HydrophobicContact CG2-CG2 3.97Å; V43-T327 HydrophobicContact CG2-CG2 4.23Å; I317-T327 HydrophobicContact CB-CG2 3.98Å; I317-T327 HydrophobicContact CD1-CG2 4.06Å; I317-T327 HydrophobicContact CG2-CG2 4.08Å; N323-T327 WeakPolarHBondContact O-CB 3.31Å; N323-T327 PolarHBondContact O-N 3.05Å; N323-T327 PolarHBondContact O-OG1 3.01Å; V324-T327 WeakPolarHBondContact O-CB 3.47Å; V324-T327 PolarHBondContact O-N 2.84Å; E325-T327 PolarHBondContact O-N 3.43Å; T327-T330 PolarHBondContact O-N 2.85Å; T327-L331 HydrophobicContact CG2-CD1 3.97Å; T327-L331 WeakPolarHBondContact O-CB 3.42Å; T327-L331 VanDerWaalsContact O-CG 3.25Å; T327-L331 WeakPolarHBondContact O-CG 3.34Å; T327-L331 PolarHBondContact O-N 2.84Å |
| 328 | L | 90.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 25.1 Ų | 25.1 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 174.8 | -73.1 | 172.6 | 0 | 0 | 0 | 111.7 | V43 K55 F57 V324 E325 T330 L331 R332 | V43-L328 HydrophobicContact CB-CD2 3.92Å; V43-L328 HydrophobicContact CG1-CD2 3.94Å; V43-L328 HydrophobicContact CG1-CG 4.19Å; V43-L328 HydrophobicContact CG2-CD2 4.37Å; K55-L328 HydrophobicContact CB-CD2 4.11Å; K55-L328 HydrophobicContact CD-CD1 4.41Å; K55-L328 HydrophobicContact CD-CD2 4.09Å; F57-L328 HydrophobicContact CE2-CD2 4.1Å; F57-L328 HydrophobicContact CZ-CD2 4.37Å; V324-L328 HydrophobicContact CG2-CD1 4.38Å; V324-L328 WeakPolarHBondContact O-CG 3.19Å; V324-L328 PolarHBondContact O-N 3.39Å; E325-L328 PolarHBondContact O-N 2.9Å; E325-L328 VanDerWaalsContact O-N 3.11Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 PolarHBondContact O-N 2.97Å; L328-L331 PolarHBondContact O-N 3.01Å; L328-R332 WeakPolarHBondContact O-CB 3.2Å; L328-R332 WeakPolarHBondContact O-CG 3.31Å; L328-R332 PolarHBondContact O-N 2.71Å |
| 329 | T | 89.4 | Confident | 90.9 | Very high | 29 Ų | 29 | 28.7 Ų | 28.7 | 18% | 0.178 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.9 | -46.6 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | E325 L331 R332 Y333 | E325-T329 PolarHBondContact O-N 2.74Å; E325-T329 PolarHBondContact O-OG1 3.18Å; T329-L331 PolarHBondContact O-N 3.05Å; T329-R332 PolarHBondContact O-N 3.22Å; T329-Y333 VanDerWaalsContact O-CB 3.25Å; T329-Y333 WeakPolarHBondContact O-CB 3.29Å; T329-Y333 PolarHBondContact O-N 3.44Å |
| 330 | T | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 177 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | Y95 A315 I317 E326 T327 L328 A334 | Y95-T330 HydrophobicContact CD1-CG2 4.11Å; Y95-T330 HydrophobicContact CE1-CG2 4.25Å; A315-T330 HydrophobicContact CB-CG2 4.05Å; I317-T330 HydrophobicContact CG2-CG2 3.67Å; E326-T330 VanDerWaalsContact O-CB 3.29Å; E326-T330 WeakPolarHBondContact O-CB 3.26Å; E326-T330 PolarHBondContact O-N 2.75Å; E326-T330 PolarHBondContact O-OG1 2.75Å; T327-T330 PolarHBondContact O-N 2.85Å; L328-T330 VanDerWaalsContact C-N 3.33Å; L328-T330 PolarHBondContact O-N 2.97Å; T330-A334 VanDerWaalsContact O-CB 3.26Å; T330-A334 WeakPolarHBondContact O-CB 3.35Å; T330-A334 PolarHBondContact O-N 3.16Å |
| 331 | L | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.1 | -40.4 | 179.6 | -71.2 | 169.3 | 0 | 0 | 0 | 112.9 | V14 V41 V43 F57 F59 I317 T327 L328 T329 Y333 A334 N335 | V14-L331 HydrophobicContact CG1-CD2 3.97Å; V14-L331 HydrophobicContact CG2-CD2 3.77Å; V41-L331 HydrophobicContact CB-CD2 4.31Å; V41-L331 HydrophobicContact CG1-CD1 4.02Å; V41-L331 HydrophobicContact CG1-CD2 4.23Å; V43-L331 HydrophobicContact CG2-CD1 3.41Å; V43-L331 VanDerWaalsContact CG2-CD1 3.41Å; F57-L331 HydrophobicContact CD2-CB 4.01Å; F57-L331 HydrophobicContact CD2-CD1 3.97Å; F57-L331 HydrophobicContact CD2-CG 4.48Å; F57-L331 HydrophobicContact CE1-CB 4.5Å; F57-L331 HydrophobicContact CE2-CB 3.96Å; F57-L331 HydrophobicContact CE2-CD1 4.06Å; F57-L331 HydrophobicContact CG-CB 4.3Å; F57-L331 HydrophobicContact CZ-CB 4.21Å; F59-L331 HydrophobicContact CE2-CD2 3.74Å; F59-L331 HydrophobicContact CZ-CD2 3.76Å; I317-L331 HydrophobicContact CD1-CD1 4.48Å; I317-L331 HydrophobicContact CD1-CD2 4.37Å; T327-L331 HydrophobicContact CG2-CD1 3.97Å; T327-L331 WeakPolarHBondContact O-CB 3.42Å; T327-L331 VanDerWaalsContact O-CG 3.25Å; T327-L331 WeakPolarHBondContact O-CG 3.34Å; T327-L331 PolarHBondContact O-N 2.84Å; L328-L331 PolarHBondContact O-N 3.01Å; T329-L331 PolarHBondContact O-N 3.05Å; L331-Y333 VanDerWaalsContact C-N 3.34Å; L331-A334 PolarHBondContact O-N 3.43Å; L331-N335 VanDerWaalsContact O-CB 3.23Å; L331-N335 WeakPolarHBondContact O-CB 3.38Å; L331-N335 PolarHBondContact O-N 2.93Å |
| 332 | R | 90.4 | Very high | 90.9 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 12% | 0.121 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 172.5 | -74.1 | 175.2 | -178.1 | 160.4 | 4.4 | 110.7 | F57 L328 T329 N335 R336 D550 E554 | F57-R332 HydrophobicContact CE1-CG 4.37Å; F57-R332 HydrophobicContact CZ-CG 4.4Å; L328-R332 WeakPolarHBondContact O-CB 3.2Å; L328-R332 WeakPolarHBondContact O-CG 3.31Å; L328-R332 PolarHBondContact O-N 2.71Å; T329-R332 PolarHBondContact O-N 3.22Å; R332-N335 PolarHBondContact O-N 2.94Å; R332-R336 PolarHBondContact O-N 2.86Å; R332-D550 IonicContact CZ-OD2 2.79Å; R332-D550 IonicContact NH2-OD2 3.83Å; R332-D550 PolarHBondContact NH2-OD2 2.85Å; R332-E554 IonicContact CZ-OE2 2.91Å; R332-E554 IonicContact NH1-OE1 2.8Å; R332-E554 IonicContact NH1-OE2 2.68Å; R332-E554 PolarHBondContact NH1-OE2 2.87Å |
| 333 | Y | 90.2 | Very high | 91.1 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 178.3 | -166 | -81.7 | 0 | 0 | 0 | 111.8 | Y95 L275 G276 I279 M313 T329 L331 N335 R336 A337 | Y95-Y333 HydrophobicContact CD1-CD1 4.14Å; Y95-Y333 HydrophobicContact CD1-CE1 4.47Å; Y95-Y333 HydrophobicContact CD2-CE1 4.18Å; Y95-Y333 AromaticContact CE1-CD1 3.78Å; Y95-Y333 HydrophobicContact CE1-CD1 3.78Å; Y95-Y333 HydrophobicContact CE1-CD2 4.48Å; Y95-Y333 HydrophobicContact CE1-CE1 4.22Å; Y95-Y333 AromaticContact CE1-CG 3.92Å; Y95-Y333 HydrophobicContact CE1-CG 3.92Å; Y95-Y333 HydrophobicContact CE2-CD1 4.29Å; Y95-Y333 AromaticContact CE2-CE1 3.9Å; Y95-Y333 HydrophobicContact CE2-CE1 3.9Å; Y95-Y333 HydrophobicContact CE2-CE2 4.33Å; Y95-Y333 AromaticContact CE2-CZ 3.93Å; Y95-Y333 HydrophobicContact CG-CE1 4.47Å; Y95-Y333 AromaticContact CZ-CD1 3.86Å; Y95-Y333 AromaticContact CZ-CE1 3.93Å; Y95-Y333 AromaticContact CZ-CG 3.9Å; L275-Y333 VanDerWaalsContact CB-OH 3.3Å; L275-Y333 WeakPolarHBondContact CB-OH 3.44Å; L275-Y333 WeakPolarHBondContact CD2-OH 3.36Å; L275-Y333 WeakPolarHBondContact CG-OH 3.17Å; L275-Y333 PolarHBondContact O-OH 2.88Å; G276-Y333 VanDerWaalsContact CA-CE2 3.42Å; G276-Y333 PolarHBondContact N-OH 2.81Å; G276-Y333 VanDerWaalsContact N-OH 3.13Å; I279-Y333 HydrophobicContact CD1-CD1 4.27Å; I279-Y333 HydrophobicContact CD1-CE1 3.45Å; I279-Y333 VanDerWaalsContact CD1-CE1 3.45Å; M313-Y333 HydrophobicContact CE-CD1 3.73Å; M313-Y333 HydrophobicContact CE-CE1 4.2Å; M313-Y333 HydrophobicContact SD-CD1 4.47Å; T329-Y333 VanDerWaalsContact O-CB 3.25Å; T329-Y333 WeakPolarHBondContact O-CB 3.29Å; T329-Y333 PolarHBondContact O-N 3.44Å; L331-Y333 VanDerWaalsContact C-N 3.34Å; Y333-N335 VanDerWaalsContact C-N 3.32Å; Y333-N335 PolarHBondContact O-N 2.96Å; Y333-R336 PolarHBondContact O-N 2.84Å; Y333-A337 PolarHBondContact O-N 3.06Å |
| 334 | A | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V12 F59 M313 A315 T330 L331 R336 A337 K338 | V12-A334 HydrophobicContact CG1-CB 3.72Å; F59-A334 HydrophobicContact CE1-CB 3.66Å; F59-A334 HydrophobicContact CZ-CB 4.2Å; M313-A334 HydrophobicContact CE-CB 3.98Å; M313-A334 HydrophobicContact SD-CB 4.3Å; A315-A334 HydrophobicContact CB-CB 3.8Å; T330-A334 VanDerWaalsContact O-CB 3.26Å; T330-A334 WeakPolarHBondContact O-CB 3.35Å; T330-A334 PolarHBondContact O-N 3.16Å; L331-A334 PolarHBondContact O-N 3.43Å; A334-R336 VanDerWaalsContact C-N 3.34Å; A334-R336 PolarHBondContact O-N 2.86Å; A334-A337 PolarHBondContact O-N 2.9Å; A334-K338 PolarHBondContact O-N 3.38Å |
| 335 | N | 91.9 | Very high | 91.4 | Very high | 39 Ų | 39 | 39 Ų | 39 | 21% | 0.209 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.9 | -29.5 | 179.6 | -171.8 | 52.9 | 0 | 0 | 0 | 113 | F57 F59 L331 R332 Y333 K338 N339 | F57-N335 HydrophobicContact CD1-CB 4.19Å; F59-N335 HydrophobicContact CE1-CB 4.3Å; F59-N335 HydrophobicContact CZ-CB 4.49Å; L331-N335 VanDerWaalsContact O-CB 3.23Å; L331-N335 WeakPolarHBondContact O-CB 3.38Å; L331-N335 PolarHBondContact O-N 2.93Å; R332-N335 PolarHBondContact O-N 2.94Å; Y333-N335 VanDerWaalsContact C-N 3.32Å; Y333-N335 PolarHBondContact O-N 2.96Å; N335-K338 WeakPolarHBondContact OD1-CE 3.4Å; N335-K338 PolarHBondContact OD1-NZ 2.84Å; N335-N339 PolarHBondContact O-ND2 3.01Å |
| 336 | R | 90.6 | Very high | 91.6 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 34% | 0.343 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.1 | -50.1 | 167.2 | -64.8 | -179.3 | -163.4 | 164.8 | 9.4 | 110.4 | I279 S280 V283 R332 Y333 A334 K338 N339 L551 | I279-R336 HydrophobicContact CG2-CB 3.91Å; S280-R336 PolarHBondContact OG-NH1 2.85Å; V283-R336 VanDerWaalsContact CG2-O 3.3Å; V283-R336 WeakPolarHBondContact CG2-O 3.41Å; R332-R336 PolarHBondContact O-N 2.86Å; Y333-R336 PolarHBondContact O-N 2.84Å; A334-R336 VanDerWaalsContact C-N 3.34Å; A334-R336 PolarHBondContact O-N 2.86Å; R336-K338 VanDerWaalsContact C-N 3.25Å; R336-K338 PolarHBondContact O-N 2.87Å; R336-K338 VanDerWaalsContact O-N 3.13Å; R336-N339 WeakPolarHBondContact O-CB 3.42Å; R336-N339 PolarHBondContact O-N 2.82Å; R336-L551 VanDerWaalsContact NH2-CD2 3.32Å |
| 337 | A | 92.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.4 | -37 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V12 I279 M313 Y333 A334 N339 I340 | V12-A337 HydrophobicContact CG2-CB 4.1Å; I279-A337 HydrophobicContact CD1-CB 4.05Å; I279-A337 HydrophobicContact CG2-CB 4.35Å; M313-A337 HydrophobicContact SD-CB 3.62Å; Y333-A337 PolarHBondContact O-N 3.06Å; A334-A337 PolarHBondContact O-N 2.9Å; A337-N339 PolarHBondContact O-N 3.49Å; A337-N339 VanDerWaalsContact O-N 3.08Å; A337-I340 HydrophobicContact CB-CD1 4.41Å; A337-I340 WeakPolarHBondContact O-CB 3.49Å; A337-I340 VanDerWaalsContact O-CG1 3.28Å; A337-I340 WeakPolarHBondContact O-CG1 3.24Å; A337-I340 PolarHBondContact O-N 2.87Å; A337-I340 VanDerWaalsContact O-N 3.1Å |
| 338 | K | 92.4 | Very high | 90.9 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.2 | -179.8 | 87.7 | -167 | -169.6 | -168.6 | 0 | 114.5 | V10 V12 T58 A334 N335 R336 | V10-K338 WeakPolarHBondContact O-CA 3.43Å; V12-K338 HydrophobicContact CB-CB 4.04Å; V12-K338 HydrophobicContact CG2-CB 3.58Å; T58-K338 PolarHBondContact O-NZ 2.92Å; A334-K338 PolarHBondContact O-N 3.38Å; N335-K338 WeakPolarHBondContact OD1-CE 3.4Å; N335-K338 PolarHBondContact OD1-NZ 2.84Å; R336-K338 VanDerWaalsContact C-N 3.25Å; R336-K338 PolarHBondContact O-N 2.87Å; R336-K338 VanDerWaalsContact O-N 3.13Å |
| 339 | N | 91.3 | Very high | 89.7 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 40% | 0.401 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.4 | -179.2 | -61 | -41.8 | 0 | 0 | 0 | 113 | V283 N335 R336 A337 K341 | V283-N339 HydrophobicContact CG1-CB 3.85Å; V283-N339 HydrophobicContact CG2-CB 4.04Å; N335-N339 PolarHBondContact O-ND2 3.01Å; R336-N339 WeakPolarHBondContact O-CB 3.42Å; R336-N339 PolarHBondContact O-N 2.82Å; A337-N339 PolarHBondContact O-N 3.49Å; A337-N339 VanDerWaalsContact O-N 3.08Å; N339-K341 VanDerWaalsContact O-CE 3.31Å; N339-K341 WeakPolarHBondContact O-CE 3.19Å |
| 340 | I | 92.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -61.5 | 135.2 | 176.7 | -59.7 | 168.7 | 0 | 0 | 0 | 109.6 | S9 V10 I279 L282 V283 L305 A337 | S9-I340 CarbonylContact C-O 3.19Å; S9-I340 VanDerWaalsContact CA-O 3.28Å; S9-I340 WeakPolarHBondContact CA-O 3.42Å; V10-I340 HydrophobicContact CB-CB 4.28Å; V10-I340 HydrophobicContact CG2-CB 3.72Å; V10-I340 HydrophobicContact CG2-CD1 4.48Å; V10-I340 HydrophobicContact CG2-CG2 3.75Å; V10-I340 PolarHBondContact N-O 2.88Å; I279-I340 HydrophobicContact CB-CD1 4.24Å; I279-I340 HydrophobicContact CD1-CD1 4.24Å; I279-I340 HydrophobicContact CG1-CD1 3.76Å; I279-I340 HydrophobicContact CG2-CD1 4.07Å; L282-I340 HydrophobicContact CB-CG1 4.21Å; L282-I340 HydrophobicContact CD1-CD1 4.35Å; L282-I340 HydrophobicContact CD1-CG1 4.47Å; L282-I340 HydrophobicContact CD1-CG2 4.05Å; V283-I340 HydrophobicContact CG2-CG1 3.86Å; L305-I340 HydrophobicContact CD2-CD1 4.09Å; A337-I340 HydrophobicContact CB-CD1 4.41Å; A337-I340 WeakPolarHBondContact O-CB 3.49Å; A337-I340 VanDerWaalsContact O-CG1 3.28Å; A337-I340 WeakPolarHBondContact O-CG1 3.24Å; A337-I340 PolarHBondContact O-N 2.87Å; A337-I340 VanDerWaalsContact O-N 3.1Å | ||
| 341 | K | 92.1 | Very high | 86.5 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 45% | 0.452 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 106.8 | -178.7 | -56.1 | -57.4 | 174.2 | -176.9 | 0 | 111.1 | S9 N339 | S9-K341 PolarHBondContact OG-NZ 3.4Å; N339-K341 VanDerWaalsContact O-CE 3.31Å; N339-K341 WeakPolarHBondContact O-CE 3.19Å |
| 342 | N | 93.2 | Very high | 84.8 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.011 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 164 | 174.2 | -68.6 | 12.9 | 0 | 0 | 0 | 111 | S7 E8 S304 G306 A309 T311 P344 | S7-N342 VanDerWaalsContact CA-O 3.31Å; S7-N342 WeakPolarHBondContact CA-O 3.42Å; E8-N342 PolarHBondContact N-O 3.33Å; E8-N342 PolarHBondContact O-N 2.92Å; S304-N342 PolarHBondContact O-ND2 2.89Å; G306-N342 WeakPolarHBondContact CA-OD1 3.23Å; G306-N342 PolarHBondContact N-OD1 2.74Å; A309-N342 VanDerWaalsContact O-CB 3.25Å; A309-N342 WeakPolarHBondContact O-CB 3.32Å; A309-N342 PolarHBondContact O-ND2 2.88Å; T311-N342 PolarHBondContact OG1-ND2 3.39Å; N342-P344 VanDerWaalsContact C-CD 3.42Å |
| 343 | K | 92.1 | Very high | 83.7 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | trans | -128 | 61.7 | 179.2 | -66.8 | 167.4 | -173 | 157 | 0 | 110.4 | G307 | G307-K343 PolarHBondContact O-N 2.82Š| ||
| 344 | P | 91.4 | Very high | 83.1 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 13% | 0.13 | 30% | 0.295 | C | S | . | . | trans | -62 | 142.1 | -176.2 | 28.1 | -36.5 | 0 | 0 | 0 | 112.1 | E8 F88 K310 N342 | E8-P344 HydrophobicContact CB-CG 4.05Å; F88-P344 HydrophobicContact CD1-CB 3.94Å; F88-P344 HydrophobicContact CE1-CB 4.25Å; K310-P344 HydrophobicContact CG-CB 3.62Å; K310-P344 HydrophobicContact CG-CG 3.9Å; N342-P344 VanDerWaalsContact C-CD 3.42Å | ||
| 345 | R | 90.5 | Very high | 82.3 | Confident | 138 Ų | 138 | 61.5 Ų | 61.5 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | trans | -138.4 | 158.5 | 175.6 | -53 | -174.2 | -164.7 | 168.4 | 13.6 | 109.5 | F88 N308 | F88-R345 WeakPolarHBondContact CD1-O 3.22Å; F88-R345 VanDerWaalsContact CE1-C 3.48Å; N308-R345 PolarHBondContact OD1-N 3.35Å | ||
| 346 | V | 89.8 | Confident | 81.7 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 134.1 | 166 | -172.2 | 0 | 0 | 0 | 0 | 107.6 | Q86 F88 R237 E348 | Q86-V346 WeakPolarHBondContact O-CG1 3.39Å; F88-V346 HydrophobicContact CD2-CG2 4.08Å; F88-V346 HydrophobicContact CE1-CG2 4.13Å; F88-V346 HydrophobicContact CE2-CG2 3.58Å; F88-V346 HydrophobicContact CZ-CG2 3.61Å; R237-V346 HydrophobicContact CG-CG1 4.22Å; V346-E348 HydrophobicContact CB-CG 4.06Å; V346-E348 HydrophobicContact CG1-CG 3.55Å |
| 347 | N | 87.5 | Confident | 81.2 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 19% | 0.193 | 31% | 0.308 | C | S | . | . | trans | -93.8 | 103.3 | 173.9 | -43.8 | -57.7 | 0 | 0 | 0 | 108.4 | G87 N89 R237 V238 N308 | G87-N347 PolarHBondContact O-N 2.72Å; G87-N347 PolarHBondContact O-ND2 3.04Å; N89-N347 PolarHBondContact ND2-ND2 3.21Å; N89-N347 PolarHBondContact OD1-ND2 3.11Å; R237-N347 WeakPolarHBondContact CA-O 3.29Å; V238-N347 PolarHBondContact N-O 3.35Å; V238-N347 WeakPolarHBondContact O-CB 3.37Å; V238-N347 PolarHBondContact O-ND2 2.69Å; N308-N347 PolarHBondContact ND2-OD1 3.37Å | ||
| 348 | E | 78.6 | Confident | 80.5 | Confident | 125 Ų | 125 | 66.1 Ų | 66.1 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | trans | -109.6 | 22.4 | -174.9 | -56.3 | 177.4 | 153.6 | 0 | 0 | 111.7 | I236 R237 V346 P350 | I236-E348 CarbonylContact O-C 3.55Å; I236-E348 WeakPolarHBondContact O-CA 3.49Å; R237-E348 HydrophobicContact CG-CG 4.3Å; V346-E348 HydrophobicContact CB-CG 4.06Å; V346-E348 HydrophobicContact CG1-CG 3.55Å; E348-P350 VanDerWaalsContact O-CD 3.23Å; E348-P350 WeakPolarHBondContact O-CD 3.46Å | ||
| 349 | D | 65.8 | Low | 79.8 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 44% | 0.439 | 31% | 0.312 | S | S | . | . | trans | -74.2 | 115.5 | -173.4 | -160 | -43.4 | 0 | 0 | 0 | 111 | K351 | D349-K351 PolarHBondContact O-N 2.85Å; D349-K351 VanDerWaalsContact OD1-CB 3.31Å; D349-K351 WeakPolarHBondContact OD1-CB 3.37Å; D349-K351 WeakPolarHBondContact OD1-CG 3.39Å; D349-K351 PolarHBondContact OD1-N 2.82Å | ||
| 350 | P | 56.5 | Low | 79.4 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -73.8 | -13.9 | -178.2 | 31.6 | -36.5 | 0 | 0 | 0 | 112.8 | E348 R356 | E348-P350 VanDerWaalsContact O-CD 3.23Å; E348-P350 WeakPolarHBondContact O-CD 3.46Å; P350-R356 PolarHBondContact O-NE 2.81Å; P350-R356 PolarHBondContact O-NH2 2.98Å |
| 351 | K | 58.1 | Low | 78.9 | Confident | 147 Ų | 147 | 68.8 Ų | 68.8 | 64% | 0.639 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -75.2 | -44.1 | -166.5 | -67.3 | 179.5 | -178.3 | 174.6 | 0 | 113.5 | D349 R356 | D349-K351 PolarHBondContact O-N 2.85Å; D349-K351 VanDerWaalsContact OD1-CB 3.31Å; D349-K351 WeakPolarHBondContact OD1-CB 3.37Å; D349-K351 WeakPolarHBondContact OD1-CG 3.39Å; D349-K351 PolarHBondContact OD1-N 2.82Å; K351-R356 PolarHBondContact O-NH2 2.82Å |
| 352 | D | 58.2 | Low | 78.4 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -102.8 | 6.5 | -168.4 | -71.2 | -12.7 | 0 | 0 | 0 | 114.6 | L354 | D352-L354 PolarHBondContact O-N 3.22Š|
| 353 | A | 68 | Low | 77.9 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 33% | 0.329 | C | S | . | . | trans | -74.1 | 115.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I236 V238 L355 R356 E357 | I236-A353 HydrophobicContact CB-CB 4.45Å; I236-A353 HydrophobicContact CD1-CB 4.33Å; I236-A353 HydrophobicContact CG2-CB 3.58Å; V238-A353 HydrophobicContact CG2-CB 4.49Å; A353-L355 PolarHBondContact O-N 3.29Å; A353-R356 HydrophobicContact CB-CB 4.47Å; A353-R356 VanDerWaalsContact O-CB 3.3Å; A353-R356 WeakPolarHBondContact O-CB 3.31Å; A353-R356 PolarHBondContact O-N 3.43Å; A353-E357 PolarHBondContact O-N 3.2Å | ||
| 354 | L | 77.4 | Confident | 77.6 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -29 | 176.2 | -177.9 | 64.7 | 0 | 0 | 0 | 112.2 | L139 E224 D352 R356 E357 F358 | L139-L354 HydrophobicContact CD2-CB 4.22Å; L139-L354 HydrophobicContact CD2-CD2 4.17Å; L139-L354 HydrophobicContact CD2-CG 4.15Å; E224-L354 PolarHBondContact OE2-N 2.88Å; E224-L354 VanDerWaalsContact OE2-N 3.12Å; D352-L354 PolarHBondContact O-N 3.22Å; L354-R356 PolarHBondContact O-N 3.39Å; L354-E357 HydrophobicContact CD1-CB 4.39Å; L354-E357 WeakPolarHBondContact CD1-OE2 3.36Å; L354-E357 PolarHBondContact O-N 3.47Å; L354-F358 HydrophobicContact CD1-CD1 4.47Å; L354-F358 HydrophobicContact CD1-CE1 4.01Å; L354-F358 HydrophobicContact CD1-CZ 4.13Å; L354-F358 HydrophobicContact CD2-CE2 4.11Å; L354-F358 HydrophobicContact CD2-CZ 3.92Å; L354-F358 HydrophobicContact CG-CD2 4.44Å; L354-F358 HydrophobicContact CG-CE1 4.21Å; L354-F358 HydrophobicContact CG-CE2 4.04Å; L354-F358 HydrophobicContact CG-CZ 3.91Å; L354-F358 PolarHBondContact O-N 3.12Å |
| 355 | L | 77.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.9 | -38 | 172 | -172.6 | 159.7 | 0 | 0 | 0 | 111.2 | L139 E224 I236 A353 F358 Q359 L467 | L139-L355 HydrophobicContact CB-CB 4.29Å; L139-L355 HydrophobicContact CB-CD1 3.98Å; L139-L355 HydrophobicContact CB-CG 4.38Å; L139-L355 HydrophobicContact CD2-CB 4.18Å; E224-L355 HydrophobicContact CB-CB 4.07Å; E224-L355 HydrophobicContact CB-CD1 4.02Å; E224-L355 WeakPolarHBondContact OE2-CB 3.29Å; E224-L355 PolarHBondContact OE2-N 2.85Å; I236-L355 HydrophobicContact CD1-CD2 4.36Å; A353-L355 PolarHBondContact O-N 3.29Å; L355-F358 PolarHBondContact O-N 3.28Å; L355-Q359 HydrophobicContact CD2-CG 4.07Å; L355-Q359 WeakPolarHBondContact O-CG 3.1Å; L355-Q359 PolarHBondContact O-N 3.34Å; L355-L467 HydrophobicContact CG-CD2 4.27Å |
| 356 | R | 78.8 | Confident | 76.7 | Confident | 81 Ų | 81 | 66.2 Ų | 66.2 | 31% | 0.306 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.1 | -45.5 | 174 | -170.8 | 171.6 | 60.8 | 103.3 | -2 | 111.4 | I236 P350 K351 A353 L354 F358 Q359 E360 | I236-R356 HydrophobicContact CD1-CB 3.69Å; I236-R356 HydrophobicContact CD1-CG 4.26Å; P350-R356 PolarHBondContact O-NE 2.81Å; P350-R356 PolarHBondContact O-NH2 2.98Å; K351-R356 PolarHBondContact O-NH2 2.82Å; A353-R356 HydrophobicContact CB-CB 4.47Å; A353-R356 VanDerWaalsContact O-CB 3.3Å; A353-R356 WeakPolarHBondContact O-CB 3.31Å; A353-R356 PolarHBondContact O-N 3.43Å; L354-R356 PolarHBondContact O-N 3.39Å; R356-F358 VanDerWaalsContact C-N 3.25Å; R356-F358 PolarHBondContact O-N 2.72Å; R356-Q359 PolarHBondContact O-N 3.3Å; R356-Q359 VanDerWaalsContact O-N 3.12Å; R356-E360 WeakPolarHBondContact CD-OE1 3.4Å; R356-E360 HydrophobicContact CG-CG 4.19Å; R356-E360 WeakPolarHBondContact CG-OE1 3.48Å; R356-E360 IonicContact CZ-OE1 2.66Å; R356-E360 IonicContact NE-OE1 3.72Å; R356-E360 IonicContact NH1-OE1 3.99Å; R356-E360 PolarHBondContact NH1-OE1 2.87Å; R356-E360 WeakPolarHBondContact O-CB 3.33Å; R356-E360 WeakPolarHBondContact O-CG 3.32Å; R356-E360 PolarHBondContact O-N 2.9Å |
| 357 | E | 80.3 | Confident | 76.4 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 175.4 | -60.7 | -171.5 | 164.7 | 0 | 0 | 111.7 | A353 L354 E361 | A353-E357 PolarHBondContact O-N 3.2Å; L354-E357 HydrophobicContact CD1-CB 4.39Å; L354-E357 WeakPolarHBondContact CD1-OE2 3.36Å; L354-E357 PolarHBondContact O-N 3.47Å; E357-E361 VanDerWaalsContact O-CB 3.3Å; E357-E361 WeakPolarHBondContact O-CB 3.4Å; E357-E361 PolarHBondContact O-N 2.89Å |
| 358 | F | 78 | Confident | 76.1 | Confident | 32 Ų | 32 | 68 Ų | 68 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 173.6 | -71.1 | -14.6 | 0 | 0 | 0 | 112.5 | L139 L354 L355 R356 I362 K466 L467 | L139-F358 HydrophobicContact CD1-CD2 4.32Å; L139-F358 HydrophobicContact CD1-CE2 4.02Å; L139-F358 HydrophobicContact CD2-CD2 3.82Å; L139-F358 HydrophobicContact CD2-CE2 3.77Å; L354-F358 HydrophobicContact CD1-CD1 4.47Å; L354-F358 HydrophobicContact CD1-CE1 4.01Å; L354-F358 HydrophobicContact CD1-CZ 4.13Å; L354-F358 HydrophobicContact CD2-CE2 4.11Å; L354-F358 HydrophobicContact CD2-CZ 3.92Å; L354-F358 HydrophobicContact CG-CD2 4.44Å; L354-F358 HydrophobicContact CG-CE1 4.21Å; L354-F358 HydrophobicContact CG-CE2 4.04Å; L354-F358 HydrophobicContact CG-CZ 3.91Å; L354-F358 PolarHBondContact O-N 3.12Å; L355-F358 PolarHBondContact O-N 3.28Å; R356-F358 VanDerWaalsContact C-N 3.25Å; R356-F358 PolarHBondContact O-N 2.72Å; F358-I362 VanDerWaalsContact O-CB 3.24Å; F358-I362 WeakPolarHBondContact O-CB 3.38Å; F358-I362 WeakPolarHBondContact O-CD1 3.46Å; F358-I362 WeakPolarHBondContact O-CG1 3.44Å; F358-I362 PolarHBondContact O-N 2.75Å; F358-K466 HydrophobicContact CE2-CD 4.34Å; F358-K466 HydrophobicContact CZ-CD 4.4Å; F358-L467 HydrophobicContact CB-CD2 4.47Å; F358-L467 HydrophobicContact CD2-CD2 4.38Å |
| 359 | Q | 77.6 | Confident | 76.1 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 174.7 | -76.7 | 177.4 | -15 | 0 | 0 | 111.8 | S226 L355 R356 I362 A363 | S226-Q359 PolarHBondContact OG-NE2 3.47Å; L355-Q359 HydrophobicContact CD2-CG 4.07Å; L355-Q359 WeakPolarHBondContact O-CG 3.1Å; L355-Q359 PolarHBondContact O-N 3.34Å; R356-Q359 PolarHBondContact O-N 3.3Å; R356-Q359 VanDerWaalsContact O-N 3.12Å; Q359-I362 PolarHBondContact O-N 3.34Å; Q359-A363 WeakPolarHBondContact O-CB 3.43Å; Q359-A363 PolarHBondContact O-N 3.07Å |
| 360 | E | 83.1 | Confident | 76.6 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 48% | 0.481 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 178.5 | -73.3 | 179.7 | -166.3 | 0 | 0 | 112.1 | R356 A363 R364 | R356-E360 WeakPolarHBondContact CD-OE1 3.4Å; R356-E360 HydrophobicContact CG-CG 4.19Å; R356-E360 WeakPolarHBondContact CG-OE1 3.48Å; R356-E360 IonicContact CZ-OE1 2.66Å; R356-E360 IonicContact NE-OE1 3.72Å; R356-E360 IonicContact NH1-OE1 3.99Å; R356-E360 PolarHBondContact NH1-OE1 2.87Å; R356-E360 WeakPolarHBondContact O-CB 3.33Å; R356-E360 WeakPolarHBondContact O-CG 3.32Å; R356-E360 PolarHBondContact O-N 2.9Å; E360-A363 PolarHBondContact O-N 2.89Å; E360-R364 VanDerWaalsContact O-CB 3.26Å; E360-R364 WeakPolarHBondContact O-CB 3.38Å; E360-R364 PolarHBondContact O-N 3.06Å |
| 361 | E | 81.6 | Confident | 77.5 | Confident | 45 Ų | 45 | 70 Ų | 70 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 176.3 | 179.9 | 75.3 | 175.1 | 0 | 0 | 111.1 | E357 R364 L365 K459 M463 | E357-E361 VanDerWaalsContact O-CB 3.3Å; E357-E361 WeakPolarHBondContact O-CB 3.4Å; E357-E361 PolarHBondContact O-N 2.89Å; E361-R364 PolarHBondContact O-N 3.06Å; E361-R364 WeakPolarHBondContact OE2-CD 3.39Å; E361-R364 IonicContact OE2-CZ 2.68Å; E361-R364 IonicContact OE2-NH1 3.82Å; E361-R364 PolarHBondContact OE2-NH1 2.92Å; E361-L365 HydrophobicContact CG-CG 4.36Å; E361-L365 VanDerWaalsContact O-CG 3.28Å; E361-L365 WeakPolarHBondContact O-CG 3.29Å; E361-L365 PolarHBondContact O-N 2.91Å; E361-K459 IonicContact OE1-NZ 2.62Å; E361-K459 PolarHBondContact OE1-NZ 3.41Å; E361-M463 HydrophobicContact CG-CE 3.91Å; E361-M463 HydrophobicContact CG-SD 4.03Å |
| 362 | I | 81.4 | Confident | 78.1 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 171.1 | -73 | 164.7 | 0 | 0 | 0 | 110.4 | F358 Q359 R364 L365 K366 M463 E464 L467 | F358-I362 VanDerWaalsContact O-CB 3.24Å; F358-I362 WeakPolarHBondContact O-CB 3.38Å; F358-I362 WeakPolarHBondContact O-CD1 3.46Å; F358-I362 WeakPolarHBondContact O-CG1 3.44Å; F358-I362 PolarHBondContact O-N 2.75Å; Q359-I362 PolarHBondContact O-N 3.34Å; I362-R364 VanDerWaalsContact C-N 3.33Å; I362-R364 PolarHBondContact O-N 3.19Å; I362-L365 PolarHBondContact O-N 3.4Å; I362-K366 HydrophobicContact CG2-CD 4.08Å; I362-K366 HydrophobicContact CG2-CG 4.47Å; I362-K366 WeakPolarHBondContact O-CB 3.33Å; I362-K366 WeakPolarHBondContact O-CG 3.5Å; I362-K366 PolarHBondContact O-N 3.15Å; I362-M463 HydrophobicContact CD1-CB 4.06Å; I362-M463 HydrophobicContact CG1-CB 3.87Å; I362-M463 HydrophobicContact CG1-CE 3.86Å; I362-E464 HydrophobicContact CD1-CG 4.05Å; I362-E464 HydrophobicContact CG1-CG 4.46Å; I362-E464 HydrophobicContact CG2-CG 4.28Å; I362-L467 HydrophobicContact CD1-CD1 3.66Å |
| 363 | A | 82.7 | Confident | 78.3 | Confident | 57 Ų | 57 | 66 Ų | 66 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q359 E360 K366 A367 | Q359-A363 WeakPolarHBondContact O-CB 3.43Å; Q359-A363 PolarHBondContact O-N 3.07Å; E360-A363 PolarHBondContact O-N 2.89Å; A363-K366 PolarHBondContact O-N 3.28Å; A363-A367 WeakPolarHBondContact O-CB 3.33Å; A363-A367 PolarHBondContact O-N 3.45Å |
| 364 | R | 85.5 | Confident | 77.9 | Confident | 151 Ų | 151 | 69.8 Ų | 69.8 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 176.7 | -173.1 | -169.6 | -174.5 | -164.3 | 7 | 112.7 | E360 E361 I362 A367 Q368 | E360-R364 VanDerWaalsContact O-CB 3.26Å; E360-R364 WeakPolarHBondContact O-CB 3.38Å; E360-R364 PolarHBondContact O-N 3.06Å; E361-R364 PolarHBondContact O-N 3.06Å; E361-R364 WeakPolarHBondContact OE2-CD 3.39Å; E361-R364 IonicContact OE2-CZ 2.68Å; E361-R364 IonicContact OE2-NH1 3.82Å; E361-R364 PolarHBondContact OE2-NH1 2.92Å; I362-R364 VanDerWaalsContact C-N 3.33Å; I362-R364 PolarHBondContact O-N 3.19Å; R364-A367 PolarHBondContact O-N 3.13Å; R364-Q368 WeakPolarHBondContact O-CG 3.45Å; R364-Q368 PolarHBondContact O-N 2.88Å |
| 365 | L | 82.7 | Confident | 76.9 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 177.4 | -63.1 | -169.4 | 0 | 0 | 0 | 111.5 | E361 I362 Q368 L369 L456 K459 I460 M463 | E361-L365 HydrophobicContact CG-CG 4.36Å; E361-L365 VanDerWaalsContact O-CG 3.28Å; E361-L365 WeakPolarHBondContact O-CG 3.29Å; E361-L365 PolarHBondContact O-N 2.91Å; I362-L365 PolarHBondContact O-N 3.4Å; L365-Q368 WeakPolarHBondContact O-CB 3.44Å; L365-Q368 PolarHBondContact O-N 2.8Å; L365-L369 PolarHBondContact O-N 3.42Å; L365-L456 HydrophobicContact CB-CD1 3.82Å; L365-L456 HydrophobicContact CD1-CD1 4Å; L365-L456 HydrophobicContact CD2-CD1 3.63Å; L365-L456 HydrophobicContact CG-CD1 3.99Å; L365-K459 HydrophobicContact CD1-CB 4.16Å; L365-K459 HydrophobicContact CD1-CD 3.54Å; L365-K459 HydrophobicContact CD1-CG 3.72Å; L365-I460 HydrophobicContact CB-CD1 3.76Å; L365-I460 HydrophobicContact CB-CG1 3.53Å; L365-I460 HydrophobicContact CD1-CG1 3.96Å; L365-I460 HydrophobicContact CG-CG1 4.43Å; L365-M463 HydrophobicContact CD1-CE 3.33Å; L365-M463 HydrophobicContact CG-CE 4.18Å |
| 366 | K | 81.6 | Confident | 75.8 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 171.8 | -76.6 | -177.6 | 178.3 | -176.1 | 0 | 111.1 | I362 A363 Q368 L369 E370 I460 E464 | I362-K366 HydrophobicContact CG2-CD 4.08Å; I362-K366 HydrophobicContact CG2-CG 4.47Å; I362-K366 WeakPolarHBondContact O-CB 3.33Å; I362-K366 WeakPolarHBondContact O-CG 3.5Å; I362-K366 PolarHBondContact O-N 3.15Å; A363-K366 PolarHBondContact O-N 3.28Å; K366-Q368 PolarHBondContact O-N 2.89Å; K366-L369 WeakPolarHBondContact O-CB 3.47Å; K366-L369 PolarHBondContact O-N 2.5Å; K366-L369 VanDerWaalsContact O-N 3.08Å; K366-E370 WeakPolarHBondContact O-CB 3.4Å; K366-E370 PolarHBondContact O-N 3.33Å; K366-I460 HydrophobicContact CG-CD1 4.08Å; K366-I460 HydrophobicContact CG-CG2 4.45Å; K366-E464 WeakPolarHBondContact CE-OE1 3.23Å; K366-E464 IonicContact NZ-OE1 2.65Å; K366-E464 PolarHBondContact NZ-OE1 3.24Å |
| 367 | A | 83.5 | Confident | 74.7 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 27% | 0.273 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -26 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A363 R364 K371 | A363-A367 WeakPolarHBondContact O-CB 3.33Å; A363-A367 PolarHBondContact O-N 3.45Å; R364-A367 PolarHBondContact O-N 3.13Å; A367-K371 WeakPolarHBondContact O-CB 3.33Å; A367-K371 VanDerWaalsContact O-CG 3.23Å; A367-K371 WeakPolarHBondContact O-CG 3.46Å; A367-K371 PolarHBondContact O-N 3.43Å |
| 368 | Q | 80.8 | Confident | 73.2 | Confident | 86 Ų | 86 | 77.3 Ų | 77.3 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74.2 | -38.3 | 171.7 | -76.8 | 179.6 | 6.7 | 0 | 0 | 112.8 | R364 L365 K366 R372 L456 | R364-Q368 WeakPolarHBondContact O-CG 3.45Å; R364-Q368 PolarHBondContact O-N 2.88Å; L365-Q368 WeakPolarHBondContact O-CB 3.44Å; L365-Q368 PolarHBondContact O-N 2.8Å; K366-Q368 PolarHBondContact O-N 2.89Å; Q368-R372 WeakPolarHBondContact O-CG 3.46Å; Q368-R372 PolarHBondContact O-N 3.4Å; Q368-L456 HydrophobicContact CB-CD2 3.92Å |
| 369 | L | 78.8 | Confident | 71.9 | Confident | 49 Ų | 49 | 84.7 Ų | 84.7 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 169.8 | -78.8 | 178.1 | 0 | 0 | 0 | 111.1 | L365 K366 R372 S373 T453 L456 I460 | L365-L369 PolarHBondContact O-N 3.42Å; K366-L369 WeakPolarHBondContact O-CB 3.47Å; K366-L369 PolarHBondContact O-N 2.5Å; K366-L369 VanDerWaalsContact O-N 3.08Å; L369-R372 CarbonylContact O-C 3.21Å; L369-R372 WeakPolarHBondContact O-CA 3.3Å; L369-R372 WeakPolarHBondContact O-CB 3.17Å; L369-R372 PolarHBondContact O-N 3.28Å; L369-R372 VanDerWaalsContact O-N 3.08Å; L369-S373 PolarHBondContact O-N 3.34Å; L369-T453 HydrophobicContact CD2-CG2 4.38Å; L369-L456 HydrophobicContact CD2-CB 4.14Å; L369-L456 HydrophobicContact CD2-CD2 3.7Å; L369-L456 HydrophobicContact CD2-CG 3.96Å; L369-L456 HydrophobicContact CG-CD2 3.7Å; L369-L456 HydrophobicContact CG-CG 3.87Å; L369-I460 HydrophobicContact CD1-CD1 3.44Å; L369-I460 VanDerWaalsContact CD1-CD1 3.44Å; L369-I460 HydrophobicContact CG-CD1 4.16Å |
| 370 | E | 75.8 | Confident | 70.6 | Confident | 114 Ų | 114 | 91.3 Ų | 91.3 | 53% | 0.533 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | -177.7 | -165 | -173.2 | -172.2 | 0 | 0 | 112.2 | K366 R372 S373 I374 | K366-E370 WeakPolarHBondContact O-CB 3.4Å; K366-E370 PolarHBondContact O-N 3.33Å; E370-R372 PolarHBondContact O-N 3.15Å; E370-S373 WeakPolarHBondContact CA-OG 3.42Å; E370-S373 PolarHBondContact O-N 3.45Å; E370-S373 VanDerWaalsContact O-N 3.11Å; E370-S373 PolarHBondContact O-OG 3.49Å; E370-I374 HydrophobicContact CG-CD1 3.83Å; E370-I374 HydrophobicContact CG-CG1 4.37Å; E370-I374 WeakPolarHBondContact O-CB 3.08Å; E370-I374 VanDerWaalsContact O-CG1 3.31Å; E370-I374 WeakPolarHBondContact O-CG1 3.2Å; E370-I374 PolarHBondContact O-N 2.75Å |
| 371 | K | 76.7 | Confident | 68.9 | Low | 161 Ų | 161 | 92 Ų | 92 | 70% | 0.7 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.4 | -31.1 | 171.8 | -75.8 | 171.4 | -177.7 | 177.3 | 0 | 112.5 | A367 G375 | A367-K371 WeakPolarHBondContact O-CB 3.33Å; A367-K371 VanDerWaalsContact O-CG 3.23Å; A367-K371 WeakPolarHBondContact O-CG 3.46Å; A367-K371 PolarHBondContact O-N 3.43Å; K371-G375 PolarHBondContact O-N 2.8Å |
| 372 | R | 69.9 | Low | 67.4 | Low | 101 Ų | 101 | 100.4 Ų | 100.4 | 38% | 0.381 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -75 | -33.3 | 173.2 | -75.6 | 179.3 | 167.2 | -153.6 | -3.1 | 112.8 | Q368 L369 E370 | Q368-R372 WeakPolarHBondContact O-CG 3.46Å; Q368-R372 PolarHBondContact O-N 3.4Å; L369-R372 CarbonylContact O-C 3.21Å; L369-R372 WeakPolarHBondContact O-CA 3.3Å; L369-R372 WeakPolarHBondContact O-CB 3.17Å; L369-R372 PolarHBondContact O-N 3.28Å; L369-R372 VanDerWaalsContact O-N 3.08Å; E370-R372 PolarHBondContact O-N 3.15Å |
| 373 | S | 62.8 | Low | 65.9 | Low | 56 Ų | 56 | 109.1 Ų | 109.1 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.2 | -43.8 | 174.5 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | L369 E370 G375 K376 R377 | L369-S373 PolarHBondContact O-N 3.34Å; E370-S373 WeakPolarHBondContact CA-OG 3.42Å; E370-S373 PolarHBondContact O-N 3.45Å; E370-S373 VanDerWaalsContact O-N 3.11Å; E370-S373 PolarHBondContact O-OG 3.49Å; S373-G375 VanDerWaalsContact C-N 3.29Å; S373-G375 PolarHBondContact O-N 3.12Å; S373-K376 WeakPolarHBondContact O-CA 3.37Å; S373-K376 WeakPolarHBondContact O-CB 3.39Å; S373-K376 PolarHBondContact O-N 3.45Å; S373-R377 PolarHBondContact O-N 3.2Å |
| 374 | I | 58.4 | Low | 64.2 | Low | 81 Ų | 81 | 115.4 Ų | 115.4 | 42% | 0.415 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 176.3 | -67 | 168.5 | 0 | 0 | 0 | 111.2 | E370 K376 R377 K378 | E370-I374 HydrophobicContact CG-CD1 3.83Å; E370-I374 HydrophobicContact CG-CG1 4.37Å; E370-I374 WeakPolarHBondContact O-CB 3.08Å; E370-I374 VanDerWaalsContact O-CG1 3.31Å; E370-I374 WeakPolarHBondContact O-CG1 3.2Å; E370-I374 PolarHBondContact O-N 2.75Å; I374-K376 PolarHBondContact O-N 2.83Å; I374-R377 PolarHBondContact O-N 2.62Å; I374-K378 PolarHBondContact O-N 2.88Å |
| 375 | G | 57.5 | Low | 62.2 | Low | 45 Ų | 45 | 115.8 Ų | 115.8 | 46% | 0.464 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -27.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K371 S373 R379 | K371-G375 PolarHBondContact O-N 2.8Å; S373-G375 VanDerWaalsContact C-N 3.29Å; S373-G375 PolarHBondContact O-N 3.12Å; G375-R379 WeakPolarHBondContact O-CB 3.03Å |
| 376 | K | 55.1 | Low | 60.3 | Low | 55 Ų | 55 | 119.3 Ų | 119.3 | 24% | 0.239 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -82.5 | -44.2 | 173.1 | -64.5 | 173.5 | 174 | -177.9 | 0 | 112 | S373 I374 K378 R379 R380 E449 | S373-K376 WeakPolarHBondContact O-CA 3.37Å; S373-K376 WeakPolarHBondContact O-CB 3.39Å; S373-K376 PolarHBondContact O-N 3.45Å; I374-K376 PolarHBondContact O-N 2.83Å; K376-K378 PolarHBondContact O-N 2.69Å; K376-R379 PolarHBondContact O-N 3.27Å; K376-R380 PolarHBondContact O-N 3.32Å; K376-E449 VanDerWaalsContact CE-OE1 3.28Å; K376-E449 WeakPolarHBondContact CE-OE1 3.39Å; K376-E449 IonicContact NZ-OE1 3.19Å |
| 377 | R | 54.5 | Low | 58.3 | Low | 163 Ų | 163 | 117.2 Ų | 117.2 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.5 | -46.4 | 178.2 | -162.1 | 163.8 | 171.9 | 148.8 | -4 | 110.8 | S373 I374 R379 R380 E381 E395 | S373-R377 PolarHBondContact O-N 3.2Å; I374-R377 PolarHBondContact O-N 2.62Å; R377-R379 VanDerWaalsContact C-N 3.31Å; R377-R379 PolarHBondContact O-N 2.75Å; R377-R380 WeakPolarHBondContact O-CB 3.37Å; R377-R380 PolarHBondContact O-N 2.84Å; R377-R380 VanDerWaalsContact O-N 3.09Å; R377-E381 PolarHBondContact O-N 3.11Å; R377-E395 IonicContact CZ-OE1 2.72Å; R377-E395 IonicContact NH1-OE1 3.59Å; R377-E395 PolarHBondContact NH1-OE1 2.84Å; R377-E395 IonicContact NH2-OE1 3.35Å; R377-E395 PolarHBondContact NH2-OE1 2.95Å |
| 378 | K | 49 | Very low | 56.2 | Low | 136 Ų | 136 | 124.9 Ų | 124.9 | 59% | 0.591 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -27.1 | 173.6 | -81 | -172.4 | 170.9 | -179.3 | 0 | 115.3 | I374 K376 R382 | I374-K378 PolarHBondContact O-N 2.88Å; K376-K378 PolarHBondContact O-N 2.69Å; K378-R382 PolarHBondContact O-N 2.86Å |
| 379 | R | 51.8 | Low | 54.3 | Low | 186 Ų | 186 | 130.1 Ų | 130.1 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.6 | -19.9 | 176.1 | -173.7 | 171.9 | 170.2 | 175.9 | -5.9 | 112.4 | G375 K376 R377 | G375-R379 WeakPolarHBondContact O-CB 3.03Å; K376-R379 PolarHBondContact O-N 3.27Å; R377-R379 VanDerWaalsContact C-N 3.31Å; R377-R379 PolarHBondContact O-N 2.75Å |
| 380 | R | 50 | Low | 52.2 | Low | 177 Ų | 177 | 136.6 Ų | 136.6 | 67% | 0.668 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.8 | -43.1 | 170.4 | -172.2 | 170.3 | 165 | 168.8 | -7.8 | 110.6 | K376 R377 R383 R384 | K376-R380 PolarHBondContact O-N 3.32Å; R377-R380 WeakPolarHBondContact O-CB 3.37Å; R377-R380 PolarHBondContact O-N 2.84Å; R377-R380 VanDerWaalsContact O-N 3.09Å; R380-R383 PolarHBondContact O-N 2.91Å; R380-R383 VanDerWaalsContact O-N 3.13Å; R380-R384 PolarHBondContact O-N 3.19Å |
| 381 | E | 47.3 | Very low | 50.3 | Low | 117 Ų | 117 | 140.3 Ų | 140.3 | 55% | 0.547 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -55.5 | -53 | 170.4 | -103 | 167.8 | -179.3 | 0 | 0 | 112.9 | R377 R383 R384 D385 | R377-E381 PolarHBondContact O-N 3.11Å; E381-R383 PolarHBondContact O-N 2.96Å; E381-R384 PolarHBondContact O-N 2.82Å; E381-D385 PolarHBondContact O-N 2.8Å |
| 382 | R | 49.6 | Very low | 48.3 | Very low | 221 Ų | 221 | 140.8 Ų | 140.8 | 83% | 0.834 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -2.7 | 176.8 | -79.9 | -176.8 | 164 | -171.5 | -5.7 | 115.3 | K378 | K378-R382 PolarHBondContact O-N 2.86Š|
| 383 | R | 50.1 | Low | 46.4 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -10.6 | 171 | -83.4 | 179.6 | 144.5 | -173.1 | -10.1 | 113.2 | R380 E381 | R380-R383 PolarHBondContact O-N 2.91Å; R380-R383 VanDerWaalsContact O-N 3.13Å; E381-R383 PolarHBondContact O-N 2.96Å |
| 384 | R | 46.4 | Very low | 45.1 | Very low | 188 Ų | 188 | 149 Ų | 149 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -17.3 | 178.3 | -134.2 | 177.2 | -178 | -177.3 | -3.2 | 112.7 | R380 E381 G386 G387 | R380-R384 PolarHBondContact O-N 3.19Å; E381-R384 PolarHBondContact O-N 2.82Å; R384-G386 PolarHBondContact O-N 2.78Å; R384-G387 PolarHBondContact O-N 3.27Å |
| 385 | D | 43.3 | Very low | 43.9 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 48.1 | 174 | -161.5 | 27.3 | 0 | 0 | 0 | 113.1 | E381 | E381-D385 PolarHBondContact O-N 2.8Š|
| 386 | G | 42.7 | Very low | 42.6 | Very low | 80 Ų | 80 | 154 Ų | 154 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -166.7 | 12.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R384 | R384-G386 PolarHBondContact O-N 2.78Š|
| 387 | G | 40.7 | Very low | 41.8 | Very low | 56 Ų | 56 | 161.2 Ų | 161.2 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 179.8 | 102 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R384 | R384-G387 PolarHBondContact O-N 3.27Š|
| 388 | E | 38.7 | Very low | 40.8 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | 45.9 | 143.9 | 156.8 | -67.8 | 175.1 | 174.2 | 0 | 0 | 121.6 | ||||
| 389 | E | 40.5 | Very low | 40.6 | Very low | 195 Ų | 195 | 158.7 Ų | 158.7 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -83.2 | 132.2 | -177.1 | -59 | 172 | 152.9 | 0 | 0 | 110.7 | ||||
| 390 | E | 34.3 | Very low | 40.2 | Very low | 185 Ų | 185 | 152 Ų | 152 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -137 | 146 | 158.8 | -80.5 | -166.9 | 151.6 | 0 | 0 | 109.4 | ||||
| 391 | E | 37.4 | Very low | 39.8 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -71.1 | 148.3 | -158.5 | -63.4 | 176.4 | 124.3 | 0 | 0 | 115 | ||||
| 392 | D | 34.1 | Very low | 40 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -63.9 | 135.2 | 171.6 | -76.6 | -48.6 | 0 | 0 | 0 | 111.4 | ||||
| 393 | T | 29.9 | Very low | 40.2 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -123 | 139.7 | 160.2 | -24.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 394 | E | 35.8 | Very low | 40.5 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.8 | -158.6 | -64 | 174.3 | 125.5 | 0 | 0 | 115 | G396 | E394-G396 PolarHBondContact O-N 2.86Š|
| 395 | E | 32.7 | Very low | 41.2 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -68 | 118.5 | -177.2 | -67.1 | -179 | 153.3 | 0 | 0 | 111.4 | R377 | R377-E395 IonicContact CZ-OE1 2.72Å; R377-E395 IonicContact NH1-OE1 3.59Å; R377-E395 PolarHBondContact NH1-OE1 2.84Å; R377-E395 IonicContact NH2-OE1 3.35Å; R377-E395 PolarHBondContact NH2-OE1 2.95Å |
| 396 | G | 29.9 | Very low | 42.3 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 134.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E394 D398 | E394-G396 PolarHBondContact O-N 2.86Å; G396-D398 PolarHBondContact O-N 2.98Å; G396-D398 VanDerWaalsContact O-N 3.07Å |
| 397 | E | 38.6 | Very low | 43.5 | Very low | 206 Ų | 206 | 126.2 Ų | 126.2 | 96% | 0.963 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -73.4 | 92.7 | -174.7 | -60.8 | -178.2 | 143.1 | 0 | 0 | 113.5 | ||
| 398 | D | 34.5 | Very low | 44.8 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | trans | -144.4 | 67.3 | 156.6 | -158.8 | -1.7 | 0 | 0 | 0 | 112.5 | G396 G400 | G396-D398 PolarHBondContact O-N 2.98Å; G396-D398 VanDerWaalsContact O-N 3.07Å; D398-G400 PolarHBondContact O-N 2.86Å | ||
| 399 | D | 45.2 | Very low | 46.3 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 66% | 0.663 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 24.2 | -171 | -164.9 | 35.2 | 0 | 0 | 0 | 113.2 | K403 | D399-K403 PolarHBondContact O-NZ 2.8Å; D399-K403 IonicContact OD1-NZ 3.48Å; D399-K403 PolarHBondContact OD1-NZ 3.32Å; D399-K403 IonicContact OD2-NZ 3.55Å; D399-K403 PolarHBondContact OD2-NZ 3.25Å |
| 400 | G | 42.1 | Very low | 47.8 | Very low | 45 Ų | 45 | 118.1 Ų | 118.1 | 46% | 0.464 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.7 | -64.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D398 | D398-G400 PolarHBondContact O-N 2.86Š|
| 401 | D | 41 | Very low | 49.6 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 68% | 0.684 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -33.1 | -168.5 | -78 | -20.1 | 0 | 0 | 0 | 113.2 | K403 D404 | D401-K403 PolarHBondContact O-N 2.97Å; D401-D404 PolarHBondContact O-N 2.85Å |
| 402 | D | 52.5 | Low | 51.4 | Low | 122 Ų | 122 | 109.7 Ų | 109.7 | 65% | 0.652 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -53.4 | -26.6 | 179.5 | -109 | 3.9 | 0 | 0 | 0 | 114.4 | Y406 | D402-Y406 WeakPolarHBondContact O-CB 3.29Å; D402-Y406 PolarHBondContact O-N 3.48Å; D402-Y406 VanDerWaalsContact O-N 3.16Å |
| 403 | K | 54.9 | Low | 53.5 | Low | 89 Ų | 89 | 106.2 Ų | 106.2 | 39% | 0.387 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.3 | -34.7 | -175.2 | -68.4 | -174.6 | 178.3 | 71 | 0 | 113.1 | D399 D401 W407 | D399-K403 PolarHBondContact O-NZ 2.8Å; D399-K403 IonicContact OD1-NZ 3.48Å; D399-K403 PolarHBondContact OD1-NZ 3.32Å; D399-K403 IonicContact OD2-NZ 3.55Å; D399-K403 PolarHBondContact OD2-NZ 3.25Å; D401-K403 PolarHBondContact O-N 2.97Å; K403-W407 PolarHBondContact O-N 3.27Å |
| 404 | D | 56 | Low | 55.6 | Low | 77 Ų | 77 | 100.8 Ų | 100.8 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79.3 | -32.1 | 177.9 | -96.1 | -33.4 | 0 | 0 | 0 | 111.8 | D401 W407 R408 K450 | D401-D404 PolarHBondContact O-N 2.85Å; D404-W407 PolarHBondContact O-N 3.26Å; D404-R408 PolarHBondContact O-N 2.89Å; D404-K450 IonicContact OD1-NZ 2.72Å; D404-K450 PolarHBondContact OD1-NZ 2.69Å |
| 405 | D | 60.3 | Low | 57.6 | Low | 77 Ų | 77 | 96.3 Ų | 96.3 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 173 | -75.5 | -14.1 | 0 | 0 | 0 | 112.5 | W407 R408 E409 | D405-W407 VanDerWaalsContact C-N 3.28Å; D405-W407 PolarHBondContact O-N 2.98Å; D405-R408 PolarHBondContact O-N 3.05Å; D405-R408 IonicContact OD1-CZ 3.14Å; D405-R408 IonicContact OD1-NE 2.84Å; D405-R408 PolarHBondContact OD1-NE 3.27Å; D405-R408 IonicContact OD1-NH2 2.65Å; D405-R408 PolarHBondContact OD1-NH2 2.86Å; D405-E409 PolarHBondContact O-N 2.94Å |
| 406 | Y | 66.4 | Low | 59.9 | Low | 85 Ų | 85 | 93.9 Ų | 93.9 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 169.8 | 176.4 | -92.4 | 0 | 0 | 0 | 112.9 | D402 Q410 | D402-Y406 WeakPolarHBondContact O-CB 3.29Å; D402-Y406 PolarHBondContact O-N 3.48Å; D402-Y406 VanDerWaalsContact O-N 3.16Å; Y406-Q410 HydrophobicContact CD1-CG 4.47Å; Y406-Q410 HydrophobicContact CE1-CG 3.97Å; Y406-Q410 HydrophobicContact CE2-CG 4.15Å; Y406-Q410 WeakPolarHBondContact O-CG 3.47Å; Y406-Q410 PolarHBondContact O-N 3.16Å |
| 407 | W | 68.2 | Low | 62.1 | Low | 20 Ų | 20 | 94.7 Ų | 94.7 | 8% | 0.076 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -69.4 | -41.5 | 176.7 | -71.4 | 125.7 | 0 | 0 | 0 | 111.9 | K403 D404 D405 Q410 Q411 L446 E449 K450 | K403-W407 PolarHBondContact O-N 3.27Å; D404-W407 PolarHBondContact O-N 3.26Å; D405-W407 VanDerWaalsContact C-N 3.28Å; D405-W407 PolarHBondContact O-N 2.98Å; W407-Q410 PolarHBondContact O-N 2.8Å; W407-Q411 WeakPolarHBondContact O-CG 3.44Å; W407-Q411 PolarHBondContact O-N 2.99Å; W407-Q411 VanDerWaalsContact O-N 3.08Å; W407-L446 HydrophobicContact CE3-CD1 4.2Å; W407-L446 HydrophobicContact CE3-CD2 4.46Å; W407-L446 HydrophobicContact CE3-CG 4.12Å; W407-L446 HydrophobicContact CZ3-CD1 3.65Å; W407-L446 HydrophobicContact CZ3-CG 3.8Å; W407-E449 HydrophobicContact CH2-CB 4.14Å; W407-E449 HydrophobicContact CH2-CG 4.11Å; W407-K450 HydrophobicContact CB-CD 4.36Å; W407-K450 HydrophobicContact CD2-CD 4.42Å; W407-K450 HydrophobicContact CG-CD 4.11Å; W407-K450 HydrophobicContact CH2-CB 4.37Å; W407-K450 HydrophobicContact CZ2-CB 4.13Å |
| 408 | R | 67.9 | Low | 64 | Low | 137 Ų | 137 | 87.5 Ų | 87.5 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.3 | -52.2 | 174.3 | -77.8 | -172.8 | -90.4 | -119.9 | 0.2 | 111.2 | D404 D405 Q410 Q411 E412 | D404-R408 PolarHBondContact O-N 2.89Å; D405-R408 PolarHBondContact O-N 3.05Å; D405-R408 IonicContact OD1-CZ 3.14Å; D405-R408 IonicContact OD1-NE 2.84Å; D405-R408 PolarHBondContact OD1-NE 3.27Å; D405-R408 IonicContact OD1-NH2 2.65Å; D405-R408 PolarHBondContact OD1-NH2 2.86Å; R408-Q410 VanDerWaalsContact C-N 3.3Å; R408-Q410 PolarHBondContact O-N 3.42Å; R408-Q411 PolarHBondContact O-N 3.36Å; R408-Q411 VanDerWaalsContact O-N 3.1Å; R408-E412 PolarHBondContact O-N 3.39Å |
| 409 | E | 71.1 | Confident | 66 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 45% | 0.449 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56 | -41.5 | 178.1 | -80.5 | -158.5 | -179.6 | 0 | 0 | 113.2 | D405 K413 | D405-E409 PolarHBondContact O-N 2.94Å; E409-K413 VanDerWaalsContact O-CB 3.29Å; E409-K413 WeakPolarHBondContact O-CB 3.29Å; E409-K413 VanDerWaalsContact O-CG 3.27Å; E409-K413 WeakPolarHBondContact O-CG 3.27Å; E409-K413 PolarHBondContact O-N 3.43Å; E409-K413 IonicContact OE2-NZ 2.71Å; E409-K413 PolarHBondContact OE2-NZ 2.77Å |
| 410 | Q | 70.9 | Confident | 67.7 | Low | 42 Ų | 42 | 84 Ų | 84 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71.4 | -32.6 | -179.8 | -70.1 | -58.6 | -59 | 0 | 0 | 112.2 | Y406 W407 R408 L414 L446 | Y406-Q410 HydrophobicContact CD1-CG 4.47Å; Y406-Q410 HydrophobicContact CE1-CG 3.97Å; Y406-Q410 HydrophobicContact CE2-CG 4.15Å; Y406-Q410 WeakPolarHBondContact O-CG 3.47Å; Y406-Q410 PolarHBondContact O-N 3.16Å; W407-Q410 PolarHBondContact O-N 2.8Å; R408-Q410 VanDerWaalsContact C-N 3.3Å; R408-Q410 PolarHBondContact O-N 3.42Å; Q410-L414 WeakPolarHBondContact O-CB 3.5Å; Q410-L414 WeakPolarHBondContact O-CD1 3.48Å; Q410-L414 VanDerWaalsContact O-CG 3.29Å; Q410-L414 WeakPolarHBondContact O-CG 3.39Å; Q410-L414 PolarHBondContact O-N 3.14Å; Q410-L446 HydrophobicContact CB-CD2 4.15Å |
| 411 | Q | 71.3 | Confident | 69.2 | Low | 80 Ų | 80 | 83 Ų | 83 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68 | -48.8 | 171.9 | -71.2 | -177.1 | -69.5 | 0 | 0 | 110.7 | W407 R408 K413 L414 E415 L446 | W407-Q411 WeakPolarHBondContact O-CG 3.44Å; W407-Q411 PolarHBondContact O-N 2.99Å; W407-Q411 VanDerWaalsContact O-N 3.08Å; R408-Q411 PolarHBondContact O-N 3.36Å; R408-Q411 VanDerWaalsContact O-N 3.1Å; Q411-K413 PolarHBondContact O-N 2.97Å; Q411-L414 PolarHBondContact O-N 3.12Å; Q411-E415 PolarHBondContact O-N 3.35Å; Q411-L446 HydrophobicContact CG-CD2 4.08Å |
| 412 | E | 76.9 | Confident | 70.8 | Confident | 120 Ų | 120 | 80.6 Ų | 80.6 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 178.4 | -71.2 | -178 | 172.8 | 0 | 0 | 112.4 | R408 L414 E415 I416 | R408-E412 PolarHBondContact O-N 3.39Å; E412-L414 VanDerWaalsContact C-N 3.35Å; E412-L414 PolarHBondContact O-N 3.33Å; E412-E415 PolarHBondContact O-N 2.71Å; E412-I416 WeakPolarHBondContact O-CB 3.43Å; E412-I416 VanDerWaalsContact O-CG1 3.26Å; E412-I416 WeakPolarHBondContact O-CG1 3.25Å; E412-I416 PolarHBondContact O-N 3.16Å |
| 413 | K | 78.1 | Confident | 71.9 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 175 | -77.3 | 165.6 | -179.1 | 160.2 | 0 | 111.7 | E409 Q411 I416 E417 | E409-K413 VanDerWaalsContact O-CB 3.29Å; E409-K413 WeakPolarHBondContact O-CB 3.29Å; E409-K413 VanDerWaalsContact O-CG 3.27Å; E409-K413 WeakPolarHBondContact O-CG 3.27Å; E409-K413 PolarHBondContact O-N 3.43Å; E409-K413 IonicContact OE2-NZ 2.71Å; E409-K413 PolarHBondContact OE2-NZ 2.77Å; Q411-K413 PolarHBondContact O-N 2.97Å; K413-I416 PolarHBondContact O-N 2.57Å; K413-E417 WeakPolarHBondContact O-CB 3.33Å; K413-E417 VanDerWaalsContact O-CG 3.3Å; K413-E417 WeakPolarHBondContact O-CG 3.49Å; K413-E417 PolarHBondContact O-N 2.92Å |
| 414 | L | 73.8 | Confident | 72.8 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.115 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.3 | -32.9 | 176.6 | -74.1 | 170.2 | 0 | 0 | 0 | 112.9 | Q410 Q411 E412 K418 K439 M443 L446 | Q410-L414 WeakPolarHBondContact O-CB 3.5Å; Q410-L414 WeakPolarHBondContact O-CD1 3.48Å; Q410-L414 VanDerWaalsContact O-CG 3.29Å; Q410-L414 WeakPolarHBondContact O-CG 3.39Å; Q410-L414 PolarHBondContact O-N 3.14Å; Q411-L414 PolarHBondContact O-N 3.12Å; E412-L414 VanDerWaalsContact C-N 3.35Å; E412-L414 PolarHBondContact O-N 3.33Å; L414-K418 VanDerWaalsContact O-CB 3.31Å; L414-K418 WeakPolarHBondContact O-CB 3.33Å; L414-K418 PolarHBondContact O-N 3.4Å; L414-K439 HydrophobicContact CD2-CD 4.06Å; L414-M443 HydrophobicContact CB-CG 3.95Å; L414-M443 HydrophobicContact CB-SD 4.33Å; L414-M443 HydrophobicContact CD1-CG 3.89Å; L414-L446 HydrophobicContact CD1-CD2 4.2Å |
| 415 | E | 77.9 | Confident | 73.3 | Confident | 99 Ų | 99 | 85.2 Ų | 85.2 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 174.1 | -75.4 | -163.8 | 178.8 | 0 | 0 | 113.1 | Q411 E412 K418 K419 M443 | Q411-E415 PolarHBondContact O-N 3.35Å; E412-E415 PolarHBondContact O-N 2.71Å; E415-K418 PolarHBondContact O-N 2.99Å; E415-K419 WeakPolarHBondContact O-CG 3.38Å; E415-K419 PolarHBondContact O-N 3.02Å; E415-M443 HydrophobicContact CG-SD 4.32Å |
| 416 | I | 80.6 | Confident | 73.5 | Confident | 110 Ų | 110 | 86.7 Ų | 86.7 | 56% | 0.564 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 175 | -68.7 | 163.7 | 0 | 0 | 0 | 109.7 | E412 K413 K418 K419 A420 | E412-I416 WeakPolarHBondContact O-CB 3.43Å; E412-I416 VanDerWaalsContact O-CG1 3.26Å; E412-I416 WeakPolarHBondContact O-CG1 3.25Å; E412-I416 PolarHBondContact O-N 3.16Å; K413-I416 PolarHBondContact O-N 2.57Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.33Å; I416-K419 PolarHBondContact O-N 2.88Å; I416-A420 PolarHBondContact O-N 2.85Å |
| 417 | E | 76.9 | Confident | 73.4 | Confident | 87 Ų | 87 | 85.2 Ų | 85.2 | 41% | 0.407 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 173.8 | -72.2 | 179.2 | 133 | 0 | 0 | 112.2 | K413 A420 I421 K439 | K413-E417 WeakPolarHBondContact O-CB 3.33Å; K413-E417 VanDerWaalsContact O-CG 3.3Å; K413-E417 WeakPolarHBondContact O-CG 3.49Å; K413-E417 PolarHBondContact O-N 2.92Å; E417-A420 PolarHBondContact O-N 2.73Å; E417-I421 WeakPolarHBondContact O-CD1 3.44Å; E417-I421 VanDerWaalsContact O-CG1 3.27Å; E417-I421 WeakPolarHBondContact O-CG1 3.28Å; E417-I421 PolarHBondContact O-N 2.81Å; E417-I421 VanDerWaalsContact O-N 3.1Å; E417-K439 IonicContact OE1-NZ 2.63Å; E417-K439 PolarHBondContact OE1-NZ 3.33Å; E417-K439 IonicContact OE2-NZ 2.72Å; E417-K439 PolarHBondContact OE2-NZ 2.71Å |
| 418 | K | 77.6 | Confident | 73.5 | Confident | 56 Ų | 56 | 89 Ų | 89 | 24% | 0.243 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.3 | -169.6 | 178.7 | -173 | 178.7 | 0 | 111.2 | L414 E415 I416 V422 L436 E440 M443 | L414-K418 VanDerWaalsContact O-CB 3.31Å; L414-K418 WeakPolarHBondContact O-CB 3.33Å; L414-K418 PolarHBondContact O-N 3.4Å; E415-K418 PolarHBondContact O-N 2.99Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.33Å; K418-V422 WeakPolarHBondContact O-CG2 3.49Å; K418-V422 PolarHBondContact O-N 2.84Å; K418-L436 HydrophobicContact CG-CD2 3.72Å; K418-E440 IonicContact NZ-OE1 3.18Å; K418-E440 PolarHBondContact NZ-OE1 2.94Å; K418-M443 HydrophobicContact CD-CE 3.76Å |
| 419 | K | 77.3 | Confident | 73.6 | Confident | 117 Ų | 117 | 86 Ų | 86 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 176.2 | -73 | 167.5 | -177.7 | 163.4 | 0 | 111.6 | E415 I416 I421 V422 E423 | E415-K419 WeakPolarHBondContact O-CG 3.38Å; E415-K419 PolarHBondContact O-N 3.02Å; I416-K419 PolarHBondContact O-N 2.88Å; K419-I421 VanDerWaalsContact C-N 3.31Å; K419-I421 PolarHBondContact O-N 2.93Å; K419-V422 CarbonylContact O-C 3.59Å; K419-V422 WeakPolarHBondContact O-CA 3.49Å; K419-V422 WeakPolarHBondContact O-CB 3.44Å; K419-V422 PolarHBondContact O-N 2.77Å; K419-E423 PolarHBondContact O-N 3.2Å |
| 420 | A | 79.4 | Confident | 73.5 | Confident | 55 Ų | 55 | 89.3 Ų | 89.3 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I416 E417 V422 E423 D424 | I416-A420 PolarHBondContact O-N 2.85Å; E417-A420 PolarHBondContact O-N 2.73Å; A420-V422 VanDerWaalsContact C-N 3.31Å; A420-V422 PolarHBondContact O-N 3.2Å; A420-E423 PolarHBondContact O-N 2.79Å; A420-D424 PolarHBondContact O-N 2.65Å |
| 421 | I | 74.3 | Confident | 73.6 | Confident | 25 Ų | 25 | 91.5 Ų | 91.5 | 13% | 0.128 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.3 | -31.4 | 175.4 | -65.8 | 160.6 | 0 | 0 | 0 | 111.9 | E417 K419 K432 L435 L436 K439 | E417-I421 WeakPolarHBondContact O-CD1 3.44Å; E417-I421 VanDerWaalsContact O-CG1 3.27Å; E417-I421 WeakPolarHBondContact O-CG1 3.28Å; E417-I421 PolarHBondContact O-N 2.81Å; E417-I421 VanDerWaalsContact O-N 3.1Å; K419-I421 VanDerWaalsContact C-N 3.31Å; K419-I421 PolarHBondContact O-N 2.93Å; I421-K432 HydrophobicContact CG2-CG 4.21Å; I421-K432 WeakPolarHBondContact O-CE 3.32Å; I421-K432 PolarHBondContact O-NZ 2.83Å; I421-L435 HydrophobicContact CD1-CB 4.28Å; I421-L435 HydrophobicContact CG2-CB 4.21Å; I421-L436 HydrophobicContact CG2-CD2 4.25Å; I421-L436 HydrophobicContact CG2-CG 4.04Å; I421-K439 HydrophobicContact CD1-CG 4.11Å |
| 422 | V | 74.7 | Confident | 73.8 | Confident | 77 Ų | 77 | 89.5 Ų | 89.5 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.7 | -35.8 | 175 | 173.1 | 0 | 0 | 0 | 0 | 112 | K418 K419 A420 K432 L436 | K418-V422 WeakPolarHBondContact O-CG2 3.49Å; K418-V422 PolarHBondContact O-N 2.84Å; K419-V422 CarbonylContact O-C 3.59Å; K419-V422 WeakPolarHBondContact O-CA 3.49Å; K419-V422 WeakPolarHBondContact O-CB 3.44Å; K419-V422 PolarHBondContact O-N 2.77Å; A420-V422 VanDerWaalsContact C-N 3.31Å; A420-V422 PolarHBondContact O-N 3.2Å; V422-K432 WeakPolarHBondContact O-CE 3.38Å; V422-K432 PolarHBondContact O-NZ 3.33Å; V422-L436 HydrophobicContact CG2-CD1 4.29Å; V422-L436 HydrophobicContact CG2-CD2 3.85Å |
| 423 | E | 74.8 | Confident | 73.6 | Confident | 138 Ų | 138 | 90.3 Ų | 90.3 | 65% | 0.645 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -83.9 | -21.9 | -177.6 | -70.3 | 170 | -176.4 | 0 | 0 | 113.3 | K419 A420 H425 | K419-E423 PolarHBondContact O-N 3.2Å; A420-E423 PolarHBondContact O-N 2.79Å; E423-H425 PolarHBondContact O-CD2 3.08Å; E423-H425 PolarHBondContact O-N 3.24Å |
| 424 | D | 73.9 | Confident | 73.8 | Confident | 66 Ų | 66 | 93.2 Ų | 93.2 | 35% | 0.353 | 48% | 0.48 | S | S | . | . | trans | -67.8 | 114.5 | 175.4 | -171.8 | -1.9 | 0 | 0 | 0 | 111.9 | A420 S426 L427 K432 | A420-D424 PolarHBondContact O-N 2.65Å; D424-S426 WeakPolarHBondContact OD1-CB 3.32Å; D424-S426 PolarHBondContact OD1-N 3.16Å; D424-L427 HydrophobicContact CB-CD1 4.12Å; D424-L427 WeakPolarHBondContact OD2-CD1 3.47Å; D424-L427 WeakPolarHBondContact OD2-CG 3.31Å; D424-K432 PolarHBondContact O-NZ 2.78Å | ||
| 425 | H | 67.1 | Low | 74 | Confident | 180 Ų | 180 | 94.5 Ų | 94.5 | 83% | 0.833 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -89.7 | -5.2 | 177.8 | -71.1 | -75 | 0 | 0 | 0 | 113.8 | E423 | E423-H425 PolarHBondContact O-CD2 3.08Å; E423-H425 PolarHBondContact O-N 3.24Å |
| 426 | S | 65.5 | Low | 74 | Confident | 109 Ų | 109 | 91.6 Ų | 91.6 | 76% | 0.762 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -81.8 | -15.7 | 179.8 | -170.7 | 0 | 0 | 0 | 0 | 113.9 | D424 | D424-S426 WeakPolarHBondContact OD1-CB 3.32Å; D424-S426 PolarHBondContact OD1-N 3.16Å |
| 427 | L | 62.5 | Low | 74.1 | Confident | 54 Ų | 54 | 94 Ų | 94 | 28% | 0.283 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -88.7 | 140.1 | -172.3 | -69.6 | 169.1 | 0 | 0 | 0 | 113.2 | D424 K432 | D424-L427 HydrophobicContact CB-CD1 4.12Å; D424-L427 WeakPolarHBondContact OD2-CD1 3.47Å; D424-L427 WeakPolarHBondContact OD2-CG 3.31Å; L427-K432 HydrophobicContact CB-CB 4.35Å |
| 428 | V | 70.3 | Confident | 74.3 | Confident | 98 Ų | 98 | 94 Ų | 94 | 59% | 0.594 | 48% | 0.48 | S | S | * | . | trans | -63.3 | 136 | 172.2 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | E430 E431 K432 | V428-E430 VanDerWaalsContact C-N 3.28Å; V428-E430 PolarHBondContact O-N 3.08Å; V428-E430 VanDerWaalsContact O-N 3.16Å; V428-E431 PolarHBondContact O-N 2.89Å; V428-K432 PolarHBondContact O-N 2.87Å | ||
| 429 | A | 69.9 | Low | 74.3 | Confident | 76 Ų | 76 | 93 Ų | 93 | 63% | 0.628 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -55.7 | -36.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M433 | A429-M433 WeakPolarHBondContact O-CB 3.31Å; A429-M433 PolarHBondContact O-N 3.36Å |
| 430 | E | 70.4 | Confident | 74.4 | Confident | 165 Ų | 165 | 92.5 Ų | 92.5 | 77% | 0.771 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 176.1 | -65.9 | -169.1 | 140.3 | 0 | 0 | 112.7 | V428 M433 R434 | V428-E430 VanDerWaalsContact C-N 3.28Å; V428-E430 PolarHBondContact O-N 3.08Å; V428-E430 VanDerWaalsContact O-N 3.16Å; E430-M433 PolarHBondContact O-N 3.12Å; E430-R434 PolarHBondContact O-N 3.21Å |
| 431 | E | 73.3 | Confident | 74.5 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.2 | -41.3 | -179 | -173.4 | 159.2 | -138.3 | 0 | 0 | 111.2 | V428 M433 R434 L435 | V428-E431 PolarHBondContact O-N 2.89Å; E431-M433 VanDerWaalsContact C-N 3.34Å; E431-M433 PolarHBondContact O-N 3.35Å; E431-R434 WeakPolarHBondContact O-CB 3.39Å; E431-R434 PolarHBondContact O-N 3.24Å; E431-R434 VanDerWaalsContact O-N 3.16Å; E431-R434 IonicContact OE1-NH2 3.79Å; E431-L435 HydrophobicContact CG-CD1 4.39Å; E431-L435 WeakPolarHBondContact O-CG 3.49Å; E431-L435 PolarHBondContact O-N 3.27Å |
| 432 | K | 73.8 | Confident | 74.6 | Confident | 38 Ų | 38 | 99.8 Ų | 99.8 | 17% | 0.165 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -56.4 | -45.4 | 170.2 | -175.5 | 164.8 | 179.2 | 148.4 | 0 | 111.9 | I421 V422 D424 L427 V428 L435 L436 | I421-K432 HydrophobicContact CG2-CG 4.21Å; I421-K432 WeakPolarHBondContact O-CE 3.32Å; I421-K432 PolarHBondContact O-NZ 2.83Å; V422-K432 WeakPolarHBondContact O-CE 3.38Å; V422-K432 PolarHBondContact O-NZ 3.33Å; D424-K432 PolarHBondContact O-NZ 2.78Å; L427-K432 HydrophobicContact CB-CB 4.35Å; V428-K432 PolarHBondContact O-N 2.87Å; K432-L435 PolarHBondContact O-N 3.32Å; K432-L436 HydrophobicContact CG-CD1 4.36Å; K432-L436 WeakPolarHBondContact O-CB 3.48Å; K432-L436 WeakPolarHBondContact O-CG 3.41Å; K432-L436 PolarHBondContact O-N 3.41Å |
| 433 | M | 74 | Confident | 74.7 | Confident | 138 Ų | 138 | 98 Ų | 98 | 68% | 0.68 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -37.7 | 175.8 | -166.9 | -174.4 | -66.7 | 0 | 0 | 112.3 | A429 E430 E431 K437 | A429-M433 WeakPolarHBondContact O-CB 3.31Å; A429-M433 PolarHBondContact O-N 3.36Å; E430-M433 PolarHBondContact O-N 3.12Å; E431-M433 VanDerWaalsContact C-N 3.34Å; E431-M433 PolarHBondContact O-N 3.35Å; M433-K437 WeakPolarHBondContact O-CB 3.3Å; M433-K437 PolarHBondContact O-N 3.46Å; M433-K437 VanDerWaalsContact O-N 3.16Å |
| 434 | R | 81.6 | Confident | 75 | Confident | 161 Ų | 161 | 94.5 Ų | 94.5 | 61% | 0.608 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64 | -47.1 | 176.3 | -164 | -177.6 | 77.5 | -169.1 | -3.5 | 111.8 | E430 E431 K437 E438 | E430-R434 PolarHBondContact O-N 3.21Å; E431-R434 WeakPolarHBondContact O-CB 3.39Å; E431-R434 PolarHBondContact O-N 3.24Å; E431-R434 VanDerWaalsContact O-N 3.16Å; E431-R434 IonicContact OE1-NH2 3.79Å; R434-K437 PolarHBondContact O-N 3.42Å; R434-E438 PolarHBondContact O-N 3.2Å; R434-E438 VanDerWaalsContact O-N 3.09Å |
| 435 | L | 78.1 | Confident | 75.2 | Confident | 48 Ų | 48 | 95 Ų | 95 | 25% | 0.251 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 179.7 | -70.7 | 171 | 0 | 0 | 0 | 112.1 | I421 E431 K432 K437 E438 K439 | I421-L435 HydrophobicContact CD1-CB 4.28Å; I421-L435 HydrophobicContact CG2-CB 4.21Å; E431-L435 HydrophobicContact CG-CD1 4.39Å; E431-L435 WeakPolarHBondContact O-CG 3.49Å; E431-L435 PolarHBondContact O-N 3.27Å; K432-L435 PolarHBondContact O-N 3.32Å; L435-K437 PolarHBondContact O-N 3.27Å; L435-E438 PolarHBondContact O-N 3.08Å; L435-K439 WeakPolarHBondContact O-CG 3.47Å; L435-K439 PolarHBondContact O-N 3.43Å |
| 436 | L | 78.6 | Confident | 75.6 | Confident | 39 Ų | 39 | 88 Ų | 88 | 20% | 0.204 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 175.2 | -77.5 | 168.7 | 0 | 0 | 0 | 111.9 | K418 I421 V422 K432 E438 K439 E440 | K418-L436 HydrophobicContact CG-CD2 3.72Å; I421-L436 HydrophobicContact CG2-CD2 4.25Å; I421-L436 HydrophobicContact CG2-CG 4.04Å; V422-L436 HydrophobicContact CG2-CD1 4.29Å; V422-L436 HydrophobicContact CG2-CD2 3.85Å; K432-L436 HydrophobicContact CG-CD1 4.36Å; K432-L436 WeakPolarHBondContact O-CB 3.48Å; K432-L436 WeakPolarHBondContact O-CG 3.41Å; K432-L436 PolarHBondContact O-N 3.41Å; L436-E438 VanDerWaalsContact C-N 3.29Å; L436-E438 PolarHBondContact O-N 3.31Å; L436-K439 PolarHBondContact O-N 2.85Å; L436-E440 VanDerWaalsContact O-CB 3.3Å; L436-E440 WeakPolarHBondContact O-CB 3.45Å; L436-E440 PolarHBondContact O-N 2.77Å |
| 437 | K | 82.1 | Confident | 76.3 | Confident | 159 Ų | 159 | 88.7 Ų | 88.7 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.1 | -34.2 | 178.3 | -170.4 | 172.4 | -176.5 | 173.5 | 0 | 112.7 | M433 R434 L435 K441 | M433-K437 WeakPolarHBondContact O-CB 3.3Å; M433-K437 PolarHBondContact O-N 3.46Å; M433-K437 VanDerWaalsContact O-N 3.16Å; R434-K437 PolarHBondContact O-N 3.42Å; L435-K437 PolarHBondContact O-N 3.27Å; K437-K441 WeakPolarHBondContact O-CB 3.18Å; K437-K441 PolarHBondContact O-N 3.45Å; K437-K441 VanDerWaalsContact O-N 3.07Å |
| 438 | E | 81.6 | Confident | 77.2 | Confident | 88 Ų | 88 | 92.3 Ų | 92.3 | 41% | 0.411 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71 | -42.8 | 176 | -162.2 | -165.8 | 136.7 | 0 | 0 | 112.5 | R434 L435 L436 K441 K442 | R434-E438 PolarHBondContact O-N 3.2Å; R434-E438 VanDerWaalsContact O-N 3.09Å; L435-E438 PolarHBondContact O-N 3.08Å; L436-E438 VanDerWaalsContact C-N 3.29Å; L436-E438 PolarHBondContact O-N 3.31Å; E438-K441 PolarHBondContact O-N 2.88Å; E438-K442 WeakPolarHBondContact O-CG 3.35Å; E438-K442 PolarHBondContact O-N 2.96Å; E438-K442 WeakPolarHBondContact OE1-CE 3.37Å; E438-K442 IonicContact OE1-NZ 2.65Å; E438-K442 PolarHBondContact OE1-NZ 2.65Å |
| 439 | K | 77.9 | Confident | 77.6 | Confident | 35 Ų | 35 | 90.9 Ų | 90.9 | 15% | 0.152 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67 | -38.9 | 176.4 | -67.2 | -73 | -174.9 | 172.6 | 0 | 111.9 | L414 E417 I421 L435 L436 K442 M443 | L414-K439 HydrophobicContact CD2-CD 4.06Å; E417-K439 IonicContact OE1-NZ 2.63Å; E417-K439 PolarHBondContact OE1-NZ 3.33Å; E417-K439 IonicContact OE2-NZ 2.72Å; E417-K439 PolarHBondContact OE2-NZ 2.71Å; I421-K439 HydrophobicContact CD1-CG 4.11Å; L435-K439 WeakPolarHBondContact O-CG 3.47Å; L435-K439 PolarHBondContact O-N 3.43Å; L436-K439 PolarHBondContact O-N 2.85Å; K439-K442 WeakPolarHBondContact O-CB 2.88Å; K439-K442 PolarHBondContact O-N 3.34Å; K439-M443 PolarHBondContact O-N 3.04Å |
| 440 | E | 78.6 | Confident | 78 | Confident | 106 Ų | 106 | 89.3 Ų | 89.3 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176.1 | -167.4 | 155.5 | -98.2 | 0 | 0 | 112 | K418 L436 K442 M443 E444 | K418-E440 IonicContact NZ-OE1 3.18Å; K418-E440 PolarHBondContact NZ-OE1 2.94Å; L436-E440 VanDerWaalsContact O-CB 3.3Å; L436-E440 WeakPolarHBondContact O-CB 3.45Å; L436-E440 PolarHBondContact O-N 2.77Å; E440-K442 VanDerWaalsContact C-N 3.34Å; E440-K442 PolarHBondContact O-N 3.39Å; E440-M443 PolarHBondContact O-N 3.5Å; E440-E444 PolarHBondContact O-N 3.22Å |
| 441 | K | 81.7 | Confident | 78.5 | Confident | 139 Ų | 139 | 84.9 Ų | 84.9 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 170 | -174.8 | -178.8 | 175.6 | -173.7 | 0 | 111.9 | K437 E438 M443 E444 D445 | K437-K441 WeakPolarHBondContact O-CB 3.18Å; K437-K441 PolarHBondContact O-N 3.45Å; K437-K441 VanDerWaalsContact O-N 3.07Å; E438-K441 PolarHBondContact O-N 2.88Å; K441-M443 PolarHBondContact O-N 3.05Å; K441-E444 PolarHBondContact O-N 3.34Å; K441-D445 WeakPolarHBondContact O-CB 3.2Å; K441-D445 PolarHBondContact O-N 2.77Å |
| 442 | K | 76.6 | Confident | 78.8 | Confident | 94 Ų | 94 | 82.2 Ų | 82.2 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 176.9 | -79.5 | 167.5 | 171.5 | 168.8 | 0 | 112.8 | E438 K439 E440 L446 | E438-K442 WeakPolarHBondContact O-CG 3.35Å; E438-K442 PolarHBondContact O-N 2.96Å; E438-K442 WeakPolarHBondContact OE1-CE 3.37Å; E438-K442 IonicContact OE1-NZ 2.65Å; E438-K442 PolarHBondContact OE1-NZ 2.65Å; K439-K442 WeakPolarHBondContact O-CB 2.88Å; K439-K442 PolarHBondContact O-N 3.34Å; E440-K442 VanDerWaalsContact C-N 3.34Å; E440-K442 PolarHBondContact O-N 3.39Å; K442-L446 WeakPolarHBondContact O-CB 3.07Å; K442-L446 PolarHBondContact O-N 3.42Å |
| 443 | M | 76.3 | Confident | 79 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 20% | 0.197 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 173.8 | -80.5 | -168.7 | -72.3 | 0 | 0 | 112.7 | L414 E415 K418 K439 E440 K441 L446 R447 | L414-M443 HydrophobicContact CB-CG 3.95Å; L414-M443 HydrophobicContact CB-SD 4.33Å; L414-M443 HydrophobicContact CD1-CG 3.89Å; E415-M443 HydrophobicContact CG-SD 4.32Å; K418-M443 HydrophobicContact CD-CE 3.76Å; K439-M443 PolarHBondContact O-N 3.04Å; E440-M443 PolarHBondContact O-N 3.5Å; K441-M443 PolarHBondContact O-N 3.05Å; M443-L446 WeakPolarHBondContact O-CB 3.36Å; M443-L446 PolarHBondContact O-N 2.9Å; M443-R447 PolarHBondContact O-N 3.06Å |
| 444 | E | 80.7 | Confident | 79.3 | Confident | 65 Ų | 65 | 79.7 Ų | 79.7 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 177.5 | 176.9 | 64.4 | -170.2 | 0 | 0 | 111.9 | E440 K441 L446 R447 R448 | E440-E444 PolarHBondContact O-N 3.22Å; K441-E444 PolarHBondContact O-N 3.34Å; E444-L446 VanDerWaalsContact C-N 3.35Å; E444-L446 PolarHBondContact O-N 2.8Å; E444-R447 PolarHBondContact O-N 2.81Å; E444-R447 IonicContact OE2-NH1 3.49Å; E444-R448 WeakPolarHBondContact O-CG 3.15Å; E444-R448 PolarHBondContact O-N 2.95Å; E444-R448 IonicContact OE1-CZ 3.6Å; E444-R448 IonicContact OE1-NE 2.77Å; E444-R448 PolarHBondContact OE1-NE 2.87Å; E444-R448 IonicContact OE1-NH2 2.73Å; E444-R448 PolarHBondContact OE1-NH2 2.75Å |
| 445 | D | 79 | Confident | 79.3 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 40% | 0.401 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175 | -70.7 | -26.1 | 0 | 0 | 0 | 111.3 | K441 R448 E449 | K441-D445 WeakPolarHBondContact O-CB 3.2Å; K441-D445 PolarHBondContact O-N 2.77Å; D445-R448 IonicContact OD1-NH1 3.72Å; D445-E449 PolarHBondContact O-N 3.33Å |
| 446 | L | 76.3 | Confident | 79.3 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.8 | -161.9 | 81 | 0 | 0 | 0 | 111.9 | W407 Q410 Q411 L414 K442 M443 E444 E449 K450 | W407-L446 HydrophobicContact CE3-CD1 4.2Å; W407-L446 HydrophobicContact CE3-CD2 4.46Å; W407-L446 HydrophobicContact CE3-CG 4.12Å; W407-L446 HydrophobicContact CZ3-CD1 3.65Å; W407-L446 HydrophobicContact CZ3-CG 3.8Å; Q410-L446 HydrophobicContact CB-CD2 4.15Å; Q411-L446 HydrophobicContact CG-CD2 4.08Å; L414-L446 HydrophobicContact CD1-CD2 4.2Å; K442-L446 WeakPolarHBondContact O-CB 3.07Å; K442-L446 PolarHBondContact O-N 3.42Å; M443-L446 WeakPolarHBondContact O-CB 3.36Å; M443-L446 PolarHBondContact O-N 2.9Å; E444-L446 VanDerWaalsContact C-N 3.35Å; E444-L446 PolarHBondContact O-N 2.8Å; L446-E449 PolarHBondContact O-N 3.05Å; L446-K450 PolarHBondContact O-N 2.86Å |
| 447 | R | 79.2 | Confident | 79.3 | Confident | 124 Ų | 124 | 77 Ų | 77 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 179.8 | -150.5 | -171.1 | 88 | -152.8 | 0.3 | 111.6 | M443 E444 E449 K450 E451 | M443-R447 PolarHBondContact O-N 3.06Å; E444-R447 PolarHBondContact O-N 2.81Å; E444-R447 IonicContact OE2-NH1 3.49Å; R447-E449 VanDerWaalsContact C-N 3.3Å; R447-E449 PolarHBondContact O-N 2.95Å; R447-K450 PolarHBondContact O-N 3.46Å; R447-E451 IonicContact CZ-OE1 3.55Å; R447-E451 VanDerWaalsContact CZ-OE1 3.25Å; R447-E451 IonicContact NE-OE1 3.33Å; R447-E451 PolarHBondContact NE-OE1 3.13Å; R447-E451 IonicContact NH2-OE1 3.28Å; R447-E451 PolarHBondContact NH2-OE1 3.1Å; R447-E451 WeakPolarHBondContact O-CG 3.41Å; R447-E451 PolarHBondContact O-N 3.08Å |
| 448 | R | 81.8 | Confident | 79.3 | Confident | 131 Ų | 131 | 72.2 Ų | 72.2 | 49% | 0.494 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 174.1 | -69.7 | 171.6 | -172.7 | 169.5 | 0.9 | 112.5 | E444 D445 A452 | E444-R448 WeakPolarHBondContact O-CG 3.15Å; E444-R448 PolarHBondContact O-N 2.95Å; E444-R448 IonicContact OE1-CZ 3.6Å; E444-R448 IonicContact OE1-NE 2.77Å; E444-R448 PolarHBondContact OE1-NE 2.87Å; E444-R448 IonicContact OE1-NH2 2.73Å; E444-R448 PolarHBondContact OE1-NH2 2.75Å; D445-R448 IonicContact OD1-NH1 3.72Å; R448-A452 WeakPolarHBondContact O-CB 3.49Å; R448-A452 PolarHBondContact O-N 2.97Å |
| 449 | E | 78.1 | Confident | 79.2 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 174.4 | -163.1 | -173.1 | 157.6 | 0 | 0 | 111 | K376 W407 D445 L446 R447 A452 T453 | K376-E449 VanDerWaalsContact CE-OE1 3.28Å; K376-E449 WeakPolarHBondContact CE-OE1 3.39Å; K376-E449 IonicContact NZ-OE1 3.19Å; W407-E449 HydrophobicContact CH2-CB 4.14Å; W407-E449 HydrophobicContact CH2-CG 4.11Å; D445-E449 PolarHBondContact O-N 3.33Å; L446-E449 PolarHBondContact O-N 3.05Å; R447-E449 VanDerWaalsContact C-N 3.3Å; R447-E449 PolarHBondContact O-N 2.95Å; E449-A452 PolarHBondContact O-N 3.25Å; E449-T453 PolarHBondContact O-N 3.41Å; E449-T453 PolarHBondContact O-OG1 2.88Å |
| 450 | K | 77.9 | Confident | 79.2 | Confident | 42 Ų | 42 | 71.2 Ų | 71.2 | 18% | 0.183 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -55.2 | 175.3 | -178.3 | 165.8 | -178.8 | 156.1 | 0 | 111.6 | D404 W407 L446 R447 A452 T453 E454 | D404-K450 IonicContact OD1-NZ 2.72Å; D404-K450 PolarHBondContact OD1-NZ 2.69Å; W407-K450 HydrophobicContact CB-CD 4.36Å; W407-K450 HydrophobicContact CD2-CD 4.42Å; W407-K450 HydrophobicContact CG-CD 4.11Å; W407-K450 HydrophobicContact CH2-CB 4.37Å; W407-K450 HydrophobicContact CZ2-CB 4.13Å; L446-K450 PolarHBondContact O-N 2.86Å; R447-K450 PolarHBondContact O-N 3.46Å; K450-A452 VanDerWaalsContact C-N 3.26Å; K450-A452 PolarHBondContact O-N 3.21Å; K450-T453 WeakPolarHBondContact CA-OG1 2.96Å; K450-T453 PolarHBondContact O-N 3.24Å; K450-T453 PolarHBondContact O-OG1 3.3Å; K450-E454 WeakPolarHBondContact CE-OE1 3.47Å; K450-E454 HydrophobicContact CG-CG 4.43Å; K450-E454 WeakPolarHBondContact CG-OE1 3.36Å; K450-E454 IonicContact NZ-OE1 3.47Å; K450-E454 PolarHBondContact O-N 2.91Å |
| 451 | E | 81.6 | Confident | 79.2 | Confident | 73 Ų | 73 | 72.9 Ų | 72.9 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.9 | -42.1 | 176.6 | -71.7 | 170.9 | -166.4 | 0 | 0 | 111.9 | R447 M455 | R447-E451 IonicContact CZ-OE1 3.55Å; R447-E451 VanDerWaalsContact CZ-OE1 3.25Å; R447-E451 IonicContact NE-OE1 3.33Å; R447-E451 PolarHBondContact NE-OE1 3.13Å; R447-E451 IonicContact NH2-OE1 3.28Å; R447-E451 PolarHBondContact NH2-OE1 3.1Å; R447-E451 WeakPolarHBondContact O-CG 3.41Å; R447-E451 PolarHBondContact O-N 3.08Å; E451-M455 WeakPolarHBondContact O-CB 3.5Å; E451-M455 PolarHBondContact O-N 3.02Å |
| 452 | A | 79.9 | Confident | 79.1 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.4 | -34.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R448 E449 K450 L456 | R448-A452 WeakPolarHBondContact O-CB 3.49Å; R448-A452 PolarHBondContact O-N 2.97Å; E449-A452 PolarHBondContact O-N 3.25Å; K450-A452 VanDerWaalsContact C-N 3.26Å; K450-A452 PolarHBondContact O-N 3.21Å; A452-L456 WeakPolarHBondContact O-CB 3.25Å; A452-L456 PolarHBondContact O-N 2.92Å; A452-L456 VanDerWaalsContact O-N 3.14Å |
| 453 | T | 77.4 | Confident | 79.2 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 14% | 0.135 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.8 | -36.6 | 173.4 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | L369 E449 K450 L456 S457 | L369-T453 HydrophobicContact CD2-CG2 4.38Å; E449-T453 PolarHBondContact O-N 3.41Å; E449-T453 PolarHBondContact O-OG1 2.88Å; K450-T453 WeakPolarHBondContact CA-OG1 2.96Å; K450-T453 PolarHBondContact O-N 3.24Å; K450-T453 PolarHBondContact O-OG1 3.3Å; T453-L456 PolarHBondContact O-N 2.98Å; T453-S457 WeakPolarHBondContact O-CB 2.94Å; T453-S457 PolarHBondContact O-N 2.8Å |
| 454 | E | 80.8 | Confident | 79.2 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 174.5 | -73.3 | 174.5 | -176.6 | 0 | 0 | 111.4 | K450 L456 S457 A458 | K450-E454 WeakPolarHBondContact CE-OE1 3.47Å; K450-E454 HydrophobicContact CG-CG 4.43Å; K450-E454 WeakPolarHBondContact CG-OE1 3.36Å; K450-E454 IonicContact NZ-OE1 3.47Å; K450-E454 PolarHBondContact O-N 2.91Å; E454-L456 VanDerWaalsContact C-N 3.29Å; E454-L456 PolarHBondContact O-N 3.29Å; E454-S457 PolarHBondContact O-N 3.41Å; E454-A458 VanDerWaalsContact O-CB 3.27Å; E454-A458 WeakPolarHBondContact O-CB 3.46Å; E454-A458 PolarHBondContact O-N 3.11Å |
| 455 | M | 82.3 | Confident | 79.2 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57.6 | -40.8 | 172.9 | -86 | -171 | -85.9 | 0 | 0 | 112.5 | E451 K459 | E451-M455 WeakPolarHBondContact O-CB 3.5Å; E451-M455 PolarHBondContact O-N 3.02Å; M455-K459 WeakPolarHBondContact O-CB 3.45Å; M455-K459 PolarHBondContact O-N 3.41Å |
| 456 | L | 77.2 | Confident | 79.2 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.7 | -43.6 | 179.2 | -174.5 | 58 | 0 | 0 | 0 | 111.7 | L365 Q368 L369 A452 T453 E454 K459 I460 | L365-L456 HydrophobicContact CB-CD1 3.82Å; L365-L456 HydrophobicContact CD1-CD1 4Å; L365-L456 HydrophobicContact CD2-CD1 3.63Å; L365-L456 HydrophobicContact CG-CD1 3.99Å; Q368-L456 HydrophobicContact CB-CD2 3.92Å; L369-L456 HydrophobicContact CD2-CB 4.14Å; L369-L456 HydrophobicContact CD2-CD2 3.7Å; L369-L456 HydrophobicContact CD2-CG 3.96Å; L369-L456 HydrophobicContact CG-CD2 3.7Å; L369-L456 HydrophobicContact CG-CG 3.87Å; A452-L456 WeakPolarHBondContact O-CB 3.25Å; A452-L456 PolarHBondContact O-N 2.92Å; A452-L456 VanDerWaalsContact O-N 3.14Å; T453-L456 PolarHBondContact O-N 2.98Å; E454-L456 VanDerWaalsContact C-N 3.29Å; E454-L456 PolarHBondContact O-N 3.29Å; L456-K459 PolarHBondContact O-N 2.85Å; L456-I460 WeakPolarHBondContact O-CG1 3.39Å; L456-I460 PolarHBondContact O-N 3.25Å |
| 457 | S | 78.7 | Confident | 79.4 | Confident | 42 Ų | 42 | 65.6 Ų | 65.6 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.4 | -179 | 0 | 0 | 0 | 0 | 111.9 | T453 E454 K459 I460 K461 | T453-S457 WeakPolarHBondContact O-CB 2.94Å; T453-S457 PolarHBondContact O-N 2.8Å; E454-S457 PolarHBondContact O-N 3.41Å; S457-K459 PolarHBondContact O-N 3.45Å; S457-I460 PolarHBondContact O-N 2.95Å; S457-K461 WeakPolarHBondContact O-CG 3.37Å; S457-K461 PolarHBondContact O-N 2.98Å |
| 458 | A | 82.1 | Confident | 79.3 | Confident | 57 Ų | 57 | 61 Ų | 61 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | E454 A462 | E454-A458 VanDerWaalsContact O-CB 3.27Å; E454-A458 WeakPolarHBondContact O-CB 3.46Å; E454-A458 PolarHBondContact O-N 3.11Å; A458-A462 WeakPolarHBondContact O-CB 3.23Å; A458-A462 PolarHBondContact O-N 3.47Å |
| 459 | K | 79.9 | Confident | 78.9 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 175 | -170.7 | -178.4 | 172.6 | -153.6 | 0 | 111.8 | E361 L365 M455 L456 S457 A462 M463 | E361-K459 IonicContact OE1-NZ 2.62Å; E361-K459 PolarHBondContact OE1-NZ 3.41Å; L365-K459 HydrophobicContact CD1-CB 4.16Å; L365-K459 HydrophobicContact CD1-CD 3.54Å; L365-K459 HydrophobicContact CD1-CG 3.72Å; M455-K459 WeakPolarHBondContact O-CB 3.45Å; M455-K459 PolarHBondContact O-N 3.41Å; L456-K459 PolarHBondContact O-N 2.85Å; S457-K459 PolarHBondContact O-N 3.45Å; K459-A462 PolarHBondContact O-N 3.48Å; K459-M463 HydrophobicContact CG-CE 4.46Å; K459-M463 WeakPolarHBondContact O-CG 3.15Å; K459-M463 PolarHBondContact O-N 3.14Å |
| 460 | I | 77 | Confident | 78.3 | Confident | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.046 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -55.1 | 174.3 | -68.4 | 165.5 | 0 | 0 | 0 | 110.2 | L365 K366 L369 L456 S457 A462 M463 E464 | L365-I460 HydrophobicContact CB-CD1 3.76Å; L365-I460 HydrophobicContact CB-CG1 3.53Å; L365-I460 HydrophobicContact CD1-CG1 3.96Å; L365-I460 HydrophobicContact CG-CG1 4.43Å; K366-I460 HydrophobicContact CG-CD1 4.08Å; K366-I460 HydrophobicContact CG-CG2 4.45Å; L369-I460 HydrophobicContact CD1-CD1 3.44Å; L369-I460 VanDerWaalsContact CD1-CD1 3.44Å; L369-I460 HydrophobicContact CG-CD1 4.16Å; L456-I460 WeakPolarHBondContact O-CG1 3.39Å; L456-I460 PolarHBondContact O-N 3.25Å; S457-I460 PolarHBondContact O-N 2.95Å; I460-A462 PolarHBondContact O-N 2.96Å; I460-M463 PolarHBondContact O-N 3.45Å; I460-E464 HydrophobicContact CG2-CG 4.06Å; I460-E464 WeakPolarHBondContact O-CG 3.2Å; I460-E464 PolarHBondContact O-N 3.4Å |
| 461 | K | 78.9 | Confident | 77.6 | Confident | 141 Ų | 141 | 55.5 Ų | 55.5 | 61% | 0.613 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -53.9 | -40.1 | 177.4 | -71.4 | 179.8 | 179.4 | -177.2 | 0 | 111.7 | S457 S465 | S457-K461 WeakPolarHBondContact O-CG 3.37Å; S457-K461 PolarHBondContact O-N 2.98Å; K461-S465 VanDerWaalsContact O-CB 3.26Å; K461-S465 WeakPolarHBondContact O-CB 3.37Å; K461-S465 PolarHBondContact O-N 3.29Å |
| 462 | A | 79.6 | Confident | 76.3 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A458 K459 I460 S465 | A458-A462 WeakPolarHBondContact O-CB 3.23Å; A458-A462 PolarHBondContact O-N 3.47Å; K459-A462 PolarHBondContact O-N 3.48Å; I460-A462 PolarHBondContact O-N 2.96Å; A462-S465 PolarHBondContact O-OG 2.72Å |
| 463 | M | 77.6 | Confident | 74.8 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -77.2 | -42.6 | 176.8 | -68.4 | -172.2 | -51 | 0 | 0 | 112.7 | E361 I362 L365 K459 I460 S465 K466 | E361-M463 HydrophobicContact CG-CE 3.91Å; E361-M463 HydrophobicContact CG-SD 4.03Å; I362-M463 HydrophobicContact CD1-CB 4.06Å; I362-M463 HydrophobicContact CG1-CB 3.87Å; I362-M463 HydrophobicContact CG1-CE 3.86Å; L365-M463 HydrophobicContact CD1-CE 3.33Å; L365-M463 HydrophobicContact CG-CE 4.18Å; K459-M463 HydrophobicContact CG-CE 4.46Å; K459-M463 WeakPolarHBondContact O-CG 3.15Å; K459-M463 PolarHBondContact O-N 3.14Å; I460-M463 PolarHBondContact O-N 3.45Å; M463-S465 PolarHBondContact O-N 3.38Å; M463-K466 WeakPolarHBondContact O-CB 3.48Å; M463-K466 PolarHBondContact O-N 2.91Å |
| 464 | E | 77.7 | Confident | 73.3 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 34% | 0.341 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.7 | -38.6 | 173 | -70.8 | -177.5 | 145.7 | 0 | 0 | 111.1 | I362 K366 I460 K466 L467 | I362-E464 HydrophobicContact CD1-CG 4.05Å; I362-E464 HydrophobicContact CG1-CG 4.46Å; I362-E464 HydrophobicContact CG2-CG 4.28Å; K366-E464 WeakPolarHBondContact CE-OE1 3.23Å; K366-E464 IonicContact NZ-OE1 2.65Å; K366-E464 PolarHBondContact NZ-OE1 3.24Å; I460-E464 HydrophobicContact CG2-CG 4.06Å; I460-E464 WeakPolarHBondContact O-CG 3.2Å; I460-E464 PolarHBondContact O-N 3.4Å; E464-K466 PolarHBondContact O-N 3.38Å; E464-K466 VanDerWaalsContact O-N 3.1Å; E464-L467 PolarHBondContact O-N 2.88Å |
| 465 | S | 79.3 | Confident | 71.8 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14 | 175.4 | 83.1 | 0 | 0 | 0 | 0 | 114.6 | K185 K461 A462 M463 | K185-S465 VanDerWaalsContact CD-O 3.24Å; K185-S465 WeakPolarHBondContact CD-O 3.44Å; K185-S465 WeakPolarHBondContact CE-O 3.36Å; K185-S465 PolarHBondContact NZ-O 3.23Å; K185-S465 PolarHBondContact NZ-OG 2.93Å; K461-S465 VanDerWaalsContact O-CB 3.26Å; K461-S465 WeakPolarHBondContact O-CB 3.37Å; K461-S465 PolarHBondContact O-N 3.29Å; A462-S465 PolarHBondContact O-OG 2.72Å; M463-S465 PolarHBondContact O-N 3.38Å |
| 466 | K | 80.9 | Confident | 70.5 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -19 | 175.6 | -65.2 | 175.6 | -175.3 | 178.4 | 0 | 112.7 | V183 F358 M463 E464 | V183-K466 HydrophobicContact CG1-CB 4.27Å; F358-K466 HydrophobicContact CE2-CD 4.34Å; F358-K466 HydrophobicContact CZ-CD 4.4Å; M463-K466 WeakPolarHBondContact O-CB 3.48Å; M463-K466 PolarHBondContact O-N 2.91Å; E464-K466 PolarHBondContact O-N 3.38Å; E464-K466 VanDerWaalsContact O-N 3.1Å |
| 467 | L | 79.4 | Confident | 69.3 | Low | 20 Ų | 20 | 73.8 Ų | 73.8 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -88.1 | 129.8 | 175.9 | -61.7 | 178.5 | 0 | 0 | 0 | 109.1 | L355 F358 I362 E464 | L355-L467 HydrophobicContact CG-CD2 4.27Å; F358-L467 HydrophobicContact CB-CD2 4.47Å; F358-L467 HydrophobicContact CD2-CD2 4.38Å; I362-L467 HydrophobicContact CD1-CD1 3.66Å; E464-L467 PolarHBondContact O-N 2.88Å |
| 468 | L | 77.6 | Confident | 68.4 | Low | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.141 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.8 | 176 | -62.7 | 168.2 | 0 | 0 | 0 | 108.2 | F127 I130 Q137 Y138 V140 K185 | F127-L468 HydrophobicContact CD1-CD1 4.26Å; F127-L468 HydrophobicContact CE1-CD1 3.75Å; I130-L468 HydrophobicContact CD1-CD1 4.26Å; I130-L468 HydrophobicContact CG2-CB 3.72Å; I130-L468 HydrophobicContact CG2-CD1 4.17Å; Q137-L468 WeakPolarHBondContact CA-O 3.35Å; Y138-L468 PolarHBondContact N-O 3.46Å; Y138-L468 WeakPolarHBondContact O-CB 3.36Å; Y138-L468 PolarHBondContact O-N 3.13Å; V140-L468 HydrophobicContact CG2-CD1 4.19Å; K185-L468 HydrophobicContact CB-CD2 4.07Å; K185-L468 WeakPolarHBondContact O-CD2 3.38Å |
| 469 | V | 73.4 | Confident | 67.5 | Low | 64 Ų | 64 | 74.5 Ų | 74.5 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.4 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | K472 | V469-K472 HydrophobicContact CB-CD 4.32Å |
| 470 | G | 64 | Low | 66.9 | Low | 10 Ų | 10 | 75 Ų | 75 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 155.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | I130 S133 | I130-G470 VanDerWaalsContact O-CA 3.25Å; I130-G470 WeakPolarHBondContact O-CA 3.28Å; S133-G470 CarbonylContact O-C 3.57Å; S133-G470 WeakPolarHBondContact O-CA 3.31Å |
| 471 | G | 63.6 | Low | 66.3 | Low | 51 Ų | 51 | 80 Ų | 80 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 3.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | S131 S133 N473 | S131-G471 PolarHBondContact O-N 3.06Å; S133-G471 PolarHBondContact O-N 3.44Å; G471-N473 PolarHBondContact O-N 3.3Å |
| 472 | K | 55.3 | Low | 65.9 | Low | 161 Ų | 161 | 78.3 Ų | 78.3 | 70% | 0.7 | 42% | 0.421 | S | S | * | . | trans | -82.7 | 0 | -175.4 | -77.9 | -169.9 | 174.3 | -176.9 | 0 | 117.3 | V469 | V469-K472 HydrophobicContact CB-CD 4.32Š| ||
| 473 | N | 48.2 | Very low | 65.4 | Low | 134 Ų | 134 | 81.2 Ų | 81.2 | 72% | 0.717 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -125.3 | 114.7 | -178.9 | -76.6 | -31.7 | 0 | 0 | 0 | 112.5 | G471 V475 | G471-N473 PolarHBondContact O-N 3.3Å; N473-V475 PolarHBondContact O-N 2.94Å |
| 474 | I | 46.4 | Very low | 65.5 | Low | 154 Ų | 154 | 85.2 Ų | 85.2 | 79% | 0.79 | 45% | 0.445 | S | S | * | . | trans | -71.5 | 118.7 | 176.4 | -61.8 | 163.1 | 0 | 0 | 0 | 110.2 | ||||
| 475 | V | 47.8 | Very low | 65.4 | Low | 77 Ų | 77 | 86.3 Ų | 86.3 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | -162.2 | 86.3 | 122.3 | -176.4 | 0 | 0 | 0 | 0 | 106.1 | N473 H477 T478 N479 | N473-V475 PolarHBondContact O-N 2.94Å; V475-H477 VanDerWaalsContact C-N 3.29Å; V475-H477 PolarHBondContact O-N 3.03Å; V475-T478 VanDerWaalsContact CB-OG1 3.32Å; V475-T478 WeakPolarHBondContact CB-OG1 3.38Å; V475-T478 HydrophobicContact CG1-CG2 4.02Å; V475-T478 WeakPolarHBondContact CG1-OG1 3.42Å; V475-T478 PolarHBondContact O-N 3.24Å; V475-T478 PolarHBondContact O-OG1 3.45Å; V475-N479 PolarHBondContact O-N 2.97Å; V475-N479 VanDerWaalsContact O-N 3.16Å; V475-N479 PolarHBondContact O-ND2 3.27Å | |||
| 476 | D | 55.8 | Low | 65.1 | Low | 112 Ų | 112 | 85.3 Ų | 85.3 | 60% | 0.599 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.1 | -40.9 | -170.3 | -63 | -45.8 | 0 | 0 | 0 | 112.7 | T478 N479 E480 | D476-T478 PolarHBondContact O-N 3.05Å; D476-N479 PolarHBondContact O-N 2.67Å; D476-E480 WeakPolarHBondContact O-CB 3.43Å; D476-E480 VanDerWaalsContact O-CG 3.31Å; D476-E480 WeakPolarHBondContact O-CG 3.23Å; D476-E480 PolarHBondContact O-N 2.68Å |
| 477 | H | 53.1 | Low | 65 | Low | 123 Ų | 123 | 85.9 Ų | 85.9 | 57% | 0.569 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.9 | -35.7 | -174.9 | -145.4 | 57.6 | 0 | 0 | 0 | 114.1 | V475 E480 Q481 | V475-H477 VanDerWaalsContact C-N 3.29Å; V475-H477 PolarHBondContact O-N 3.03Å; H477-E480 IonicContact ND1-OE2 3.22Å; H477-E480 PolarHBondContact ND1-OE2 3.18Å; H477-Q481 WeakPolarHBondContact O-CB 3.28Å; H477-Q481 VanDerWaalsContact O-CG 3.28Å; H477-Q481 WeakPolarHBondContact O-CG 3.25Å; H477-Q481 PolarHBondContact O-N 3.32Å |
| 478 | T | 59.1 | Low | 65 | Low | 65 Ų | 65 | 89.7 Ų | 89.7 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.7 | -35.1 | 173.1 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | V475 D476 E480 Q481 Q482 | V475-T478 VanDerWaalsContact CB-OG1 3.32Å; V475-T478 WeakPolarHBondContact CB-OG1 3.38Å; V475-T478 HydrophobicContact CG1-CG2 4.02Å; V475-T478 WeakPolarHBondContact CG1-OG1 3.42Å; V475-T478 PolarHBondContact O-N 3.24Å; V475-T478 PolarHBondContact O-OG1 3.45Å; D476-T478 PolarHBondContact O-N 3.05Å; T478-E480 VanDerWaalsContact C-N 3.34Å; T478-Q481 PolarHBondContact O-N 3.3Å; T478-Q482 WeakPolarHBondContact O-CB 3.33Å; T478-Q482 VanDerWaalsContact O-CG 3.3Å; T478-Q482 WeakPolarHBondContact O-CG 3.45Å; T478-Q482 PolarHBondContact O-N 3.39Å |
| 479 | N | 63.4 | Low | 65.1 | Low | 50 Ų | 50 | 93.4 Ų | 93.4 | 27% | 0.267 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 176.2 | -71.2 | -17.8 | 0 | 0 | 0 | 111.7 | R132 V475 D476 K483 | R132-N479 PolarHBondContact NH2-O 3.33Å; V475-N479 PolarHBondContact O-N 2.97Å; V475-N479 VanDerWaalsContact O-N 3.16Å; V475-N479 PolarHBondContact O-ND2 3.27Å; D476-N479 PolarHBondContact O-N 2.67Å; N479-K483 WeakPolarHBondContact O-CB 3.28Å; N479-K483 PolarHBondContact O-N 2.87Å |
| 480 | E | 66.8 | Low | 65.2 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -49 | 172.7 | -76.7 | 178.5 | 153.5 | 0 | 0 | 112.1 | D476 H477 T478 Q482 K483 I484 | D476-E480 WeakPolarHBondContact O-CB 3.43Å; D476-E480 VanDerWaalsContact O-CG 3.31Å; D476-E480 WeakPolarHBondContact O-CG 3.23Å; D476-E480 PolarHBondContact O-N 2.68Å; H477-E480 IonicContact ND1-OE2 3.22Å; H477-E480 PolarHBondContact ND1-OE2 3.18Å; T478-E480 VanDerWaalsContact C-N 3.34Å; E480-Q482 VanDerWaalsContact C-N 3.31Å; E480-Q482 PolarHBondContact O-N 3.42Å; E480-K483 WeakPolarHBondContact O-CA 3.39Å; E480-K483 VanDerWaalsContact O-CB 3.26Å; E480-K483 WeakPolarHBondContact O-CB 3.25Å; E480-K483 PolarHBondContact O-N 2.97Å; E480-I484 WeakPolarHBondContact O-CG1 3.26Å; E480-I484 PolarHBondContact O-N 3.16Å |
| 481 | Q | 65.4 | Low | 66 | Low | 114 Ų | 114 | 97.6 Ų | 97.6 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.4 | -73.8 | 177 | 10 | 0 | 0 | 111.7 | H477 T478 K483 I484 L485 | H477-Q481 WeakPolarHBondContact O-CB 3.28Å; H477-Q481 VanDerWaalsContact O-CG 3.28Å; H477-Q481 WeakPolarHBondContact O-CG 3.25Å; H477-Q481 PolarHBondContact O-N 3.32Å; T478-Q481 PolarHBondContact O-N 3.3Å; Q481-K483 VanDerWaalsContact C-N 3.3Å; Q481-K483 PolarHBondContact O-N 2.7Å; Q481-I484 PolarHBondContact O-N 2.89Å; Q481-L485 WeakPolarHBondContact O-CB 3.45Å; Q481-L485 PolarHBondContact O-N 2.75Å |
| 482 | Q | 68.6 | Low | 66.9 | Low | 106 Ų | 106 | 99.4 Ų | 99.4 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 171.6 | -74 | 177.9 | -9.6 | 0 | 0 | 112.3 | T478 E480 L485 E486 | T478-Q482 WeakPolarHBondContact O-CB 3.33Å; T478-Q482 VanDerWaalsContact O-CG 3.3Å; T478-Q482 WeakPolarHBondContact O-CG 3.45Å; T478-Q482 PolarHBondContact O-N 3.39Å; E480-Q482 VanDerWaalsContact C-N 3.31Å; E480-Q482 PolarHBondContact O-N 3.42Å; Q482-L485 PolarHBondContact O-N 3.07Å; Q482-E486 VanDerWaalsContact O-CB 3.22Å; Q482-E486 WeakPolarHBondContact O-CB 3.32Å; Q482-E486 PolarHBondContact O-N 3Å |
| 483 | K | 71.1 | Confident | 67.9 | Low | 111 Ų | 111 | 92.4 Ų | 92.4 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 178.3 | -161.5 | 174.6 | -178.4 | 177.6 | 0 | 110.9 | R132 N479 E480 Q481 E486 Q487 | R132-K483 VanDerWaalsContact NH2-CB 3.26Å; N479-K483 WeakPolarHBondContact O-CB 3.28Å; N479-K483 PolarHBondContact O-N 2.87Å; E480-K483 WeakPolarHBondContact O-CA 3.39Å; E480-K483 VanDerWaalsContact O-CB 3.26Å; E480-K483 WeakPolarHBondContact O-CB 3.25Å; E480-K483 PolarHBondContact O-N 2.97Å; Q481-K483 VanDerWaalsContact C-N 3.3Å; Q481-K483 PolarHBondContact O-N 2.7Å; K483-E486 PolarHBondContact O-N 3.47Å; K483-Q487 VanDerWaalsContact O-CB 3.32Å; K483-Q487 WeakPolarHBondContact O-CB 3.36Å; K483-Q487 VanDerWaalsContact O-CG 3.23Å; K483-Q487 WeakPolarHBondContact O-CG 3.17Å; K483-Q487 PolarHBondContact O-N 2.89Å |
| 484 | I | 77.9 | Confident | 69.5 | Low | 99 Ų | 99 | 91 Ų | 91 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 176 | -63.9 | 163.3 | 0 | 0 | 0 | 109.8 | E480 Q481 E486 K488 | E480-I484 WeakPolarHBondContact O-CG1 3.26Å; E480-I484 PolarHBondContact O-N 3.16Å; Q481-I484 PolarHBondContact O-N 2.89Å; I484-E486 PolarHBondContact O-N 2.72Å; I484-K488 HydrophobicContact CG2-CG 4.41Å; I484-K488 WeakPolarHBondContact O-CB 3.3Å; I484-K488 WeakPolarHBondContact O-CG 3.44Å; I484-K488 PolarHBondContact O-N 3.05Å |
| 485 | L | 76.1 | Confident | 71.2 | Confident | 97 Ų | 97 | 89.9 Ų | 89.9 | 51% | 0.508 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 178.1 | -175.8 | 64.6 | 0 | 0 | 0 | 112.4 | Q481 Q482 K488 R489 | Q481-L485 WeakPolarHBondContact O-CB 3.45Å; Q481-L485 PolarHBondContact O-N 2.75Å; Q482-L485 PolarHBondContact O-N 3.07Å; L485-K488 PolarHBondContact O-N 3.38Å; L485-R489 WeakPolarHBondContact O-CG 3.38Å; L485-R489 PolarHBondContact O-N 2.93Å |
| 486 | E | 74.1 | Confident | 72.6 | Confident | 36 Ų | 36 | 91 Ų | 91 | 17% | 0.168 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.9 | -43.6 | 179.2 | -173.1 | 167.8 | -136.7 | 0 | 0 | 112.1 | R78 R132 Q482 K483 I484 K488 R489 Q490 | R78-E486 IonicContact CZ-OE1 3.6Å; R78-E486 IonicContact NH1-OE1 3.82Å; R78-E486 PolarHBondContact NH1-OE1 2.98Å; R78-E486 IonicContact NH2-OE1 3.88Å; R78-E486 PolarHBondContact NH2-OE1 3.3Å; R132-E486 IonicContact CZ-OE2 3.07Å; R132-E486 IonicContact NH1-OE2 3.7Å; R132-E486 PolarHBondContact NH1-OE2 3.13Å; R132-E486 IonicContact NH2-OE2 2.66Å; Q482-E486 VanDerWaalsContact O-CB 3.22Å; Q482-E486 WeakPolarHBondContact O-CB 3.32Å; Q482-E486 PolarHBondContact O-N 3Å; K483-E486 PolarHBondContact O-N 3.47Å; I484-E486 PolarHBondContact O-N 2.72Å; E486-K488 VanDerWaalsContact C-N 3.33Å; E486-K488 PolarHBondContact O-N 2.95Å; E486-R489 WeakPolarHBondContact O-CB 3.49Å; E486-R489 PolarHBondContact O-N 3.27Å; E486-Q490 WeakPolarHBondContact O-CG 3.29Å; E486-Q490 PolarHBondContact O-N 3.29Å |
| 487 | Q | 78 | Confident | 73.7 | Confident | 90 Ų | 90 | 91 Ų | 91 | 42% | 0.421 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 171.6 | -75 | 174.7 | -24.4 | 0 | 0 | 111.4 | K483 R489 Q490 E491 | K483-Q487 VanDerWaalsContact O-CB 3.32Å; K483-Q487 WeakPolarHBondContact O-CB 3.36Å; K483-Q487 VanDerWaalsContact O-CG 3.23Å; K483-Q487 WeakPolarHBondContact O-CG 3.17Å; K483-Q487 PolarHBondContact O-N 2.89Å; Q487-R489 VanDerWaalsContact C-N 3.34Å; Q487-R489 PolarHBondContact O-N 2.92Å; Q487-Q490 PolarHBondContact O-N 3.37Å; Q487-E491 WeakPolarHBondContact O-CG 3.49Å; Q487-E491 PolarHBondContact O-N 3.19Å |
| 488 | K | 80.2 | Confident | 74.9 | Confident | 99 Ų | 99 | 92 Ų | 92 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 175.9 | -70.5 | -71.8 | 161.8 | -132.2 | 0 | 112.5 | I484 L485 E486 E491 I492 | I484-K488 HydrophobicContact CG2-CG 4.41Å; I484-K488 WeakPolarHBondContact O-CB 3.3Å; I484-K488 WeakPolarHBondContact O-CG 3.44Å; I484-K488 PolarHBondContact O-N 3.05Å; L485-K488 PolarHBondContact O-N 3.38Å; E486-K488 VanDerWaalsContact C-N 3.33Å; E486-K488 PolarHBondContact O-N 2.95Å; K488-E491 WeakPolarHBondContact CD-OE2 3.39Å; K488-E491 IonicContact NZ-OE1 3.34Å; K488-E491 PolarHBondContact NZ-OE1 3.26Å; K488-E491 IonicContact NZ-OE2 3.17Å; K488-E491 PolarHBondContact NZ-OE2 3.05Å; K488-I492 WeakPolarHBondContact O-CB 3.08Å; K488-I492 WeakPolarHBondContact O-CD1 3.44Å; K488-I492 WeakPolarHBondContact O-CG1 3.48Å; K488-I492 PolarHBondContact O-N 2.83Å |
| 489 | R | 78.6 | Confident | 75.9 | Confident | 105 Ų | 105 | 95 Ų | 95 | 40% | 0.396 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 171.8 | -73.5 | 171.7 | 178.9 | -146.8 | 11.3 | 112.2 | D74 L485 E486 Q487 I492 A493 | D74-R489 IonicContact OD2-CZ 2.73Å; D74-R489 IonicContact OD2-NH1 2.59Å; D74-R489 PolarHBondContact OD2-NH1 3.19Å; L485-R489 WeakPolarHBondContact O-CG 3.38Å; L485-R489 PolarHBondContact O-N 2.93Å; E486-R489 WeakPolarHBondContact O-CB 3.49Å; E486-R489 PolarHBondContact O-N 3.27Å; Q487-R489 VanDerWaalsContact C-N 3.34Å; Q487-R489 PolarHBondContact O-N 2.92Å; R489-I492 PolarHBondContact O-N 2.93Å; R489-A493 WeakPolarHBondContact O-CB 3.43Å; R489-A493 PolarHBondContact O-N 3.08Å |
| 490 | Q | 75.6 | Confident | 76.7 | Confident | 65 Ų | 65 | 94 Ų | 94 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 174.7 | -74.2 | 173.1 | -31.3 | 0 | 0 | 111.4 | E486 Q487 I492 A493 E494 | E486-Q490 WeakPolarHBondContact O-CG 3.29Å; E486-Q490 PolarHBondContact O-N 3.29Å; Q487-Q490 PolarHBondContact O-N 3.37Å; Q490-I492 VanDerWaalsContact C-N 3.34Å; Q490-I492 PolarHBondContact O-N 2.92Å; Q490-A493 PolarHBondContact O-N 3.26Å; Q490-E494 WeakPolarHBondContact O-CB 3.32Å; Q490-E494 PolarHBondContact O-N 2.98Å |
| 491 | E | 82 | Confident | 77.3 | Confident | 97 Ų | 97 | 92.4 Ų | 92.4 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.5 | -46.5 | 174.3 | -75.2 | 174.4 | -158.4 | 0 | 0 | 111.8 | Q487 K488 E494 Q495 | Q487-E491 WeakPolarHBondContact O-CG 3.49Å; Q487-E491 PolarHBondContact O-N 3.19Å; K488-E491 WeakPolarHBondContact CD-OE2 3.39Å; K488-E491 IonicContact NZ-OE1 3.34Å; K488-E491 PolarHBondContact NZ-OE1 3.26Å; K488-E491 IonicContact NZ-OE2 3.17Å; K488-E491 PolarHBondContact NZ-OE2 3.05Å; E491-E494 PolarHBondContact O-N 3.14Å; E491-Q495 WeakPolarHBondContact O-CB 3.46Å; E491-Q495 PolarHBondContact O-N 2.87Å |
| 492 | I | 81.1 | Confident | 77.9 | Confident | 89 Ų | 89 | 91.8 Ų | 91.8 | 46% | 0.456 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 178.1 | -70.2 | 164.1 | 0 | 0 | 0 | 111.5 | K488 R489 Q490 Q495 K496 | K488-I492 WeakPolarHBondContact O-CB 3.08Å; K488-I492 WeakPolarHBondContact O-CD1 3.44Å; K488-I492 WeakPolarHBondContact O-CG1 3.48Å; K488-I492 PolarHBondContact O-N 2.83Å; R489-I492 PolarHBondContact O-N 2.93Å; Q490-I492 VanDerWaalsContact C-N 3.34Å; Q490-I492 PolarHBondContact O-N 2.92Å; I492-Q495 PolarHBondContact O-N 3.36Å; I492-K496 HydrophobicContact CG2-CD 4.31Å; I492-K496 WeakPolarHBondContact O-CB 3.17Å; I492-K496 WeakPolarHBondContact O-CG 3.41Å; I492-K496 PolarHBondContact O-N 3.14Å |
| 493 | A | 77.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 90.5 Ų | 90.5 | 12% | 0.124 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R489 Q490 R497 | R489-A493 WeakPolarHBondContact O-CB 3.43Å; R489-A493 PolarHBondContact O-N 3.08Å; Q490-A493 PolarHBondContact O-N 3.26Å; A493-R497 WeakPolarHBondContact O-CB 3.38Å; A493-R497 PolarHBondContact O-N 2.84Å |
| 494 | E | 80.8 | Confident | 78.4 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 173.5 | -77.7 | -160.9 | -160.9 | 0 | 0 | 112.3 | Q490 E491 R497 R498 | Q490-E494 WeakPolarHBondContact O-CB 3.32Å; Q490-E494 PolarHBondContact O-N 2.98Å; E491-E494 PolarHBondContact O-N 3.14Å; E494-R497 PolarHBondContact O-N 2.99Å; E494-R498 WeakPolarHBondContact O-CB 3.43Å; E494-R498 VanDerWaalsContact O-CG 3.29Å; E494-R498 WeakPolarHBondContact O-CG 3.38Å; E494-R498 PolarHBondContact O-N 3.49Å; E494-R498 IonicContact OE2-CZ 2.79Å; E494-R498 IonicContact OE2-NE 4Å; E494-R498 IonicContact OE2-NH2 3.84Å; E494-R498 PolarHBondContact OE2-NH2 3.27Å |
| 495 | Q | 81.3 | Confident | 78.4 | Confident | 132 Ų | 132 | 89.5 Ų | 89.5 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.2 | -48.7 | 177.9 | -176.3 | 177.3 | 2.2 | 0 | 0 | 110.8 | E491 I492 R497 R498 E499 | E491-Q495 WeakPolarHBondContact O-CB 3.46Å; E491-Q495 PolarHBondContact O-N 2.87Å; I492-Q495 PolarHBondContact O-N 3.36Å; Q495-R497 VanDerWaalsContact C-N 3.32Å; Q495-R497 PolarHBondContact O-N 3.35Å; Q495-R498 PolarHBondContact O-N 3.29Å; Q495-E499 VanDerWaalsContact O-CB 3.28Å; Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 PolarHBondContact O-N 3.37Å |
| 496 | K | 78.5 | Confident | 78.2 | Confident | 100 Ų | 100 | 89.5 Ų | 89.5 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 174 | -78.1 | 177.3 | 176.5 | -178.2 | 0 | 111.6 | I492 E499 R500 | I492-K496 HydrophobicContact CG2-CD 4.31Å; I492-K496 WeakPolarHBondContact O-CB 3.17Å; I492-K496 WeakPolarHBondContact O-CG 3.41Å; I492-K496 PolarHBondContact O-N 3.14Å; K496-E499 WeakPolarHBondContact O-CB 3.45Å; K496-E499 PolarHBondContact O-N 3.48Å; K496-R500 WeakPolarHBondContact O-CG 3.42Å; K496-R500 PolarHBondContact O-N 2.95Å |
| 497 | R | 77.9 | Confident | 78.1 | Confident | 112 Ų | 112 | 91 Ų | 91 | 42% | 0.423 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 179.1 | -178.4 | -178.7 | 163.5 | -161.4 | -10.5 | 111.6 | A493 E494 Q495 E499 R500 E501 | A493-R497 WeakPolarHBondContact O-CB 3.38Å; A493-R497 PolarHBondContact O-N 2.84Å; E494-R497 PolarHBondContact O-N 2.99Å; Q495-R497 VanDerWaalsContact C-N 3.32Å; Q495-R497 PolarHBondContact O-N 3.35Å; R497-E499 VanDerWaalsContact C-N 3.32Å; R497-E499 PolarHBondContact O-N 3.25Å; R497-R500 PolarHBondContact O-N 3.29Å; R497-E501 IonicContact CZ-OE1 2.7Å; R497-E501 IonicContact NE-OE1 2.77Å; R497-E501 PolarHBondContact NE-OE1 2.94Å; R497-E501 IonicContact NH2-OE1 3.8Å; R497-E501 PolarHBondContact NH2-OE1 3.32Å; R497-E501 WeakPolarHBondContact O-CG 3.43Å; R497-E501 PolarHBondContact O-N 2.99Å |
| 498 | R | 79.3 | Confident | 77.6 | Confident | 145 Ų | 145 | 89.7 Ų | 89.7 | 55% | 0.547 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 177.3 | -67.4 | 176.9 | -160.3 | -169.1 | 7.4 | 111.5 | E494 Q495 E501 I502 | E494-R498 WeakPolarHBondContact O-CB 3.43Å; E494-R498 VanDerWaalsContact O-CG 3.29Å; E494-R498 WeakPolarHBondContact O-CG 3.38Å; E494-R498 PolarHBondContact O-N 3.49Å; E494-R498 IonicContact OE2-CZ 2.79Å; E494-R498 IonicContact OE2-NE 4Å; E494-R498 IonicContact OE2-NH2 3.84Å; E494-R498 PolarHBondContact OE2-NH2 3.27Å; Q495-R498 PolarHBondContact O-N 3.29Å; R498-E501 PolarHBondContact O-N 2.76Å; R498-I502 VanDerWaalsContact O-CB 3.31Å; R498-I502 WeakPolarHBondContact O-CB 3.38Å; R498-I502 WeakPolarHBondContact O-CD1 3.02Å; R498-I502 WeakPolarHBondContact O-CG1 3.34Å; R498-I502 PolarHBondContact O-N 3.33Å |
| 499 | E | 80.3 | Confident | 76.8 | Confident | 128 Ų | 128 | 92.7 Ų | 92.7 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 174 | -173.9 | -177.1 | 175.3 | 0 | 0 | 111.1 | Q495 K496 R497 Q503 | Q495-E499 VanDerWaalsContact O-CB 3.28Å; Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 PolarHBondContact O-N 3.37Å; K496-E499 WeakPolarHBondContact O-CB 3.45Å; K496-E499 PolarHBondContact O-N 3.48Å; R497-E499 VanDerWaalsContact C-N 3.32Å; R497-E499 PolarHBondContact O-N 3.25Å; E499-Q503 VanDerWaalsContact O-CB 3.29Å; E499-Q503 WeakPolarHBondContact O-CB 3.24Å; E499-Q503 PolarHBondContact O-N 2.81Å |
| 500 | R | 79.4 | Confident | 76.1 | Confident | 27 Ų | 27 | 91.7 Ų | 91.7 | 10% | 0.102 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 173.9 | -62.6 | -165 | -151 | 102 | -0.4 | 112.8 | V36 K37 E75 K496 R497 I502 Q503 Q504 | V36-R500 WeakPolarHBondContact O-CD 3.46Å; V36-R500 PolarHBondContact O-NE 2.92Å; V36-R500 VanDerWaalsContact O-NE 3.08Å; K37-R500 WeakPolarHBondContact O-CD 3.49Å; K37-R500 VanDerWaalsContact O-CG 3.27Å; K37-R500 WeakPolarHBondContact O-CG 3.38Å; E75-R500 IonicContact OE1-CZ 3.83Å; E75-R500 IonicContact OE1-NH1 3.68Å; E75-R500 PolarHBondContact OE1-NH1 3.34Å; E75-R500 IonicContact OE1-NH2 3.82Å; E75-R500 PolarHBondContact OE1-NH2 2.82Å; E75-R500 IonicContact OE2-CZ 2.6Å; E75-R500 IonicContact OE2-NH1 2.66Å; E75-R500 IonicContact OE2-NH2 3.72Å; E75-R500 PolarHBondContact OE2-NH2 2.59Å; K496-R500 WeakPolarHBondContact O-CG 3.42Å; K496-R500 PolarHBondContact O-N 2.95Å; R497-R500 PolarHBondContact O-N 3.29Å; R500-I502 VanDerWaalsContact C-N 3.3Å; R500-I502 PolarHBondContact O-N 2.93Å; R500-Q503 PolarHBondContact O-N 2.9Å; R500-Q504 WeakPolarHBondContact O-CB 3.34Å; R500-Q504 WeakPolarHBondContact O-CG 3.31Å; R500-Q504 PolarHBondContact O-N 3.02Å |
| 501 | E | 78.6 | Confident | 75.6 | Confident | 70 Ų | 70 | 92.9 Ų | 92.9 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 178.2 | -73.7 | 175.7 | -179.4 | 0 | 0 | 111 | R497 R498 Q505 | R497-E501 IonicContact CZ-OE1 2.7Å; R497-E501 IonicContact NE-OE1 2.77Å; R497-E501 PolarHBondContact NE-OE1 2.94Å; R497-E501 IonicContact NH2-OE1 3.8Å; R497-E501 PolarHBondContact NH2-OE1 3.32Å; R497-E501 WeakPolarHBondContact O-CG 3.43Å; R497-E501 PolarHBondContact O-N 2.99Å; R498-E501 PolarHBondContact O-N 2.76Å; E501-Q505 WeakPolarHBondContact O-CB 3.22Å; E501-Q505 VanDerWaalsContact O-CG 3.26Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.05Å |
| 502 | I | 79.4 | Confident | 74.5 | Confident | 101 Ų | 101 | 93.1 Ų | 93.1 | 52% | 0.518 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 173.6 | -69.7 | 165.6 | 0 | 0 | 0 | 110.9 | R498 R500 Q505 M506 | R498-I502 VanDerWaalsContact O-CB 3.31Å; R498-I502 WeakPolarHBondContact O-CB 3.38Å; R498-I502 WeakPolarHBondContact O-CD1 3.02Å; R498-I502 WeakPolarHBondContact O-CG1 3.34Å; R498-I502 PolarHBondContact O-N 3.33Å; R500-I502 VanDerWaalsContact C-N 3.3Å; R500-I502 PolarHBondContact O-N 2.93Å; I502-Q505 CarbonylContact O-C 3.6Å; I502-Q505 PolarHBondContact O-N 3.25Å; I502-M506 HydrophobicContact CG2-CG 3.99Å; I502-M506 VanDerWaalsContact O-CB 3.31Å; I502-M506 WeakPolarHBondContact O-CB 3.35Å; I502-M506 WeakPolarHBondContact O-CG 3.46Å; I502-M506 PolarHBondContact O-N 3.28Å |
| 503 | Q | 76.6 | Confident | 73.3 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 179.5 | -175.9 | 61.4 | 30 | 0 | 0 | 111.9 | L38 E499 R500 M506 E507 | L38-Q503 HydrophobicContact CD2-CG 3.78Å; E499-Q503 VanDerWaalsContact O-CB 3.29Å; E499-Q503 WeakPolarHBondContact O-CB 3.24Å; E499-Q503 PolarHBondContact O-N 2.81Å; R500-Q503 PolarHBondContact O-N 2.9Å; Q503-M506 PolarHBondContact O-N 2.8Å; Q503-E507 PolarHBondContact NE2-OE1 2.73Å; Q503-E507 PolarHBondContact O-N 3.05Å |
| 504 | Q | 74.1 | Confident | 72.2 | Confident | 57 Ų | 57 | 95.1 Ų | 95.1 | 27% | 0.266 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 173.3 | -73.3 | 176.2 | -8.4 | 0 | 0 | 111.6 | L38 R500 S508 | L38-Q504 PolarHBondContact O-NE2 3.08Å; R500-Q504 WeakPolarHBondContact O-CB 3.34Å; R500-Q504 WeakPolarHBondContact O-CG 3.31Å; R500-Q504 PolarHBondContact O-N 3.02Å; Q504-S508 WeakPolarHBondContact O-CB 2.94Å; Q504-S508 PolarHBondContact O-N 2.66Å |
| 505 | Q | 76.4 | Confident | 70.9 | Confident | 133 Ų | 133 | 95 Ų | 95 | 62% | 0.621 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.9 | -37.5 | 175 | -75.5 | 177.7 | 31.4 | 0 | 0 | 112.4 | E501 I502 R509 | E501-Q505 WeakPolarHBondContact O-CB 3.22Å; E501-Q505 VanDerWaalsContact O-CG 3.26Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.05Å; I502-Q505 CarbonylContact O-C 3.6Å; I502-Q505 PolarHBondContact O-N 3.25Å; Q505-R509 WeakPolarHBondContact O-CB 3.36Å; Q505-R509 PolarHBondContact O-N 3.24Å |
| 506 | M | 72.9 | Confident | 69.5 | Low | 96 Ų | 96 | 96.1 Ų | 96.1 | 47% | 0.473 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 174.7 | -73.3 | -94.3 | -69.9 | 0 | 0 | 110.1 | I502 Q503 R509 D510 | I502-M506 HydrophobicContact CG2-CG 3.99Å; I502-M506 VanDerWaalsContact O-CB 3.31Å; I502-M506 WeakPolarHBondContact O-CB 3.35Å; I502-M506 WeakPolarHBondContact O-CG 3.46Å; I502-M506 PolarHBondContact O-N 3.28Å; Q503-M506 PolarHBondContact O-N 2.8Å; M506-R509 CarbonylContact O-C 3.56Å; M506-R509 PolarHBondContact O-N 3.46Å; M506-D510 WeakPolarHBondContact O-CB 3.3Å; M506-D510 PolarHBondContact O-N 3.4Å |
| 507 | E | 70.6 | Confident | 68.1 | Low | 68 Ų | 68 | 99.5 Ų | 99.5 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.2 | -75.8 | 179.4 | -174.5 | 0 | 0 | 112.6 | L38 Q503 R509 D510 E511 | L38-E507 WeakPolarHBondContact CD2-OE1 3.39Å; Q503-E507 PolarHBondContact NE2-OE1 2.73Å; Q503-E507 PolarHBondContact O-N 3.05Å; E507-R509 VanDerWaalsContact C-N 3.31Å; E507-R509 PolarHBondContact O-N 2.77Å; E507-D510 PolarHBondContact O-N 2.7Å; E507-E511 WeakPolarHBondContact O-CG 3.31Å; E507-E511 PolarHBondContact O-N 3.37Å |
| 508 | S | 68.3 | Low | 67.1 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 43% | 0.434 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | Q504 E511 E512 | Q504-S508 WeakPolarHBondContact O-CB 2.94Å; Q504-S508 PolarHBondContact O-N 2.66Å; S508-E511 PolarHBondContact O-N 3.47Å; S508-E512 WeakPolarHBondContact O-CG 3.12Å; S508-E512 PolarHBondContact O-N 3Å |
| 509 | R | 64.4 | Low | 66.2 | Low | 162 Ų | 162 | 96.5 Ų | 96.5 | 61% | 0.611 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -77.3 | -27.6 | -179.3 | -171 | 177.4 | -178.4 | 86.6 | -4.5 | 112.3 | Q505 M506 E507 T513 | Q505-R509 WeakPolarHBondContact O-CB 3.36Å; Q505-R509 PolarHBondContact O-N 3.24Å; M506-R509 CarbonylContact O-C 3.56Å; M506-R509 PolarHBondContact O-N 3.46Å; E507-R509 VanDerWaalsContact C-N 3.31Å; E507-R509 PolarHBondContact O-N 2.77Å; R509-T513 HydrophobicContact CG-CG2 4.21Å; R509-T513 VanDerWaalsContact O-CB 3.23Å; R509-T513 WeakPolarHBondContact O-CB 3.25Å; R509-T513 WeakPolarHBondContact O-CG2 3.07Å; R509-T513 PolarHBondContact O-N 3.49Å; R509-T513 PolarHBondContact O-OG1 3.03Å |
| 510 | D | 63.9 | Low | 65.5 | Low | 84 Ų | 84 | 94 Ų | 94 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.5 | -37.8 | 171.4 | -77.2 | -13.9 | 0 | 0 | 0 | 109.7 | M506 E507 L514 | M506-D510 WeakPolarHBondContact O-CB 3.3Å; M506-D510 PolarHBondContact O-N 3.4Å; E507-D510 PolarHBondContact O-N 2.7Å; D510-L514 WeakPolarHBondContact O-CB 3.44Å; D510-L514 WeakPolarHBondContact O-CD1 3.28Å; D510-L514 VanDerWaalsContact O-CG 3.23Å; D510-L514 WeakPolarHBondContact O-CG 3.34Å; D510-L514 PolarHBondContact O-N 2.97Å |
| 511 | E | 63.2 | Low | 64.9 | Low | 91 Ų | 91 | 97.9 Ų | 97.9 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -52.5 | 166.5 | -70.8 | -155.3 | 153.1 | 0 | 0 | 111.3 | E507 S508 T513 L514 E515 K540 | E507-E511 WeakPolarHBondContact O-CG 3.31Å; E507-E511 PolarHBondContact O-N 3.37Å; S508-E511 PolarHBondContact O-N 3.47Å; E511-T513 PolarHBondContact O-N 2.83Å; E511-L514 PolarHBondContact O-N 3.42Å; E511-E515 WeakPolarHBondContact O-CG 3.43Å; E511-E515 PolarHBondContact O-N 3.42Å; E511-K540 IonicContact OE1-NZ 3.6Å; E511-K540 IonicContact OE2-NZ 3.11Å; E511-K540 PolarHBondContact OE2-NZ 2.99Å |
| 512 | E | 60.8 | Low | 64.8 | Low | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -34.4 | 178.8 | -72.9 | 172 | -167.5 | 0 | 0 | 113.9 | S508 E515 L516 | S508-E512 WeakPolarHBondContact O-CG 3.12Å; S508-E512 PolarHBondContact O-N 3Å; E512-E515 WeakPolarHBondContact O-CB 3.39Å; E512-E515 PolarHBondContact O-N 2.94Å; E512-L516 PolarHBondContact O-N 3.25Å |
| 513 | T | 55 | Low | 64.5 | Low | 49 Ų | 49 | 98.7 Ų | 98.7 | 30% | 0.301 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -86.1 | -27.1 | -180 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | R509 E511 L516 K517 | R509-T513 HydrophobicContact CG-CG2 4.21Å; R509-T513 VanDerWaalsContact O-CB 3.23Å; R509-T513 WeakPolarHBondContact O-CB 3.25Å; R509-T513 WeakPolarHBondContact O-CG2 3.07Å; R509-T513 PolarHBondContact O-N 3.49Å; R509-T513 PolarHBondContact O-OG1 3.03Å; E511-T513 PolarHBondContact O-N 2.83Å; T513-L516 PolarHBondContact O-N 3.05Å; T513-K517 WeakPolarHBondContact O-CB 3.41Å; T513-K517 PolarHBondContact O-N 2.66Å |
| 514 | L | 54.9 | Low | 64.4 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 159.4 | -81 | 162.8 | 0 | 0 | 0 | 110.9 | D510 E511 K533 | D510-L514 WeakPolarHBondContact O-CB 3.44Å; D510-L514 WeakPolarHBondContact O-CD1 3.28Å; D510-L514 VanDerWaalsContact O-CG 3.23Å; D510-L514 WeakPolarHBondContact O-CG 3.34Å; D510-L514 PolarHBondContact O-N 2.97Å; E511-L514 PolarHBondContact O-N 3.42Å; L514-K533 VanDerWaalsContact O-CE 3.24Å; L514-K533 WeakPolarHBondContact O-CE 3.22Å; L514-K533 PolarHBondContact O-NZ 3.28Å |
| 515 | E | 54.1 | Low | 64.5 | Low | 102 Ų | 102 | 101.8 Ų | 101.8 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 173.1 | -75.2 | 175.1 | -176.2 | 0 | 0 | 112.3 | E511 E512 K533 | E511-E515 WeakPolarHBondContact O-CG 3.43Å; E511-E515 PolarHBondContact O-N 3.42Å; E512-E515 WeakPolarHBondContact O-CB 3.39Å; E512-E515 PolarHBondContact O-N 2.94Å; E515-K533 PolarHBondContact O-NZ 3.43Å |
| 516 | L | 50.3 | Low | 64.5 | Low | 154 Ų | 154 | 97.9 Ų | 97.9 | 81% | 0.806 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -89.6 | -32.5 | -177.2 | -102.4 | 97.1 | 0 | 0 | 0 | 117.8 | E512 T513 | E512-L516 PolarHBondContact O-N 3.25Å; T513-L516 PolarHBondContact O-N 3.05Å |
| 517 | K | 50.2 | Low | 64.7 | Low | 172 Ų | 172 | 96.8 Ų | 96.8 | 75% | 0.748 | 50% | 0.496 | S | S | * | . | trans | -107.1 | 55.8 | -166.2 | -71.8 | -173.2 | 173.6 | 178.8 | 0 | 114.7 | T513 | T513-K517 WeakPolarHBondContact O-CB 3.41Å; T513-K517 PolarHBondContact O-N 2.66Å | ||
| 518 | E | 55.5 | Low | 65 | Low | 52 Ų | 52 | 97.4 Ų | 97.4 | 24% | 0.243 | 50% | 0.501 | C | S | . | . | trans | -118.1 | 89.5 | 168.3 | -70.4 | 173.1 | 145 | 0 | 0 | 110.2 | Y520 I529 K533 | E518-Y520 HydrophobicContact CB-CD1 4.36Å; E518-Y520 HydrophobicContact CB-CE1 3.77Å; E518-Y520 WeakPolarHBondContact O-CE2 3.43Å; E518-Y520 PolarHBondContact O-N 3.38Å; E518-I529 WeakPolarHBondContact OE1-CG2 3.19Å; E518-I529 WeakPolarHBondContact OE2-CG2 3.45Å; E518-K533 WeakPolarHBondContact OE2-CE 3.29Å; E518-K533 IonicContact OE2-NZ 3.23Å; E518-K533 PolarHBondContact OE2-NZ 3.11Å | ||
| 519 | T | 60.7 | Low | 65.3 | Low | 141 Ų | 141 | 95.8 Ų | 95.8 | 87% | 0.865 | 49% | 0.487 | S | S | * | . | trans | -74.9 | 107.2 | 162.2 | 47.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 520 | Y | 66.3 | Low | 65.9 | Low | 76 Ų | 76 | 93 Ų | 93 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | trans | -73.6 | 129.7 | -178.1 | -46.8 | -72.7 | 0 | 0 | 0 | 111.1 | E518 E526 I529 | E518-Y520 HydrophobicContact CB-CD1 4.36Å; E518-Y520 HydrophobicContact CB-CE1 3.77Å; E518-Y520 WeakPolarHBondContact O-CE2 3.43Å; E518-Y520 PolarHBondContact O-N 3.38Å; Y520-E526 VanDerWaalsContact CD1-CA 3.43Å; Y520-E526 HydrophobicContact CD1-CB 3.71Å; Y520-E526 HydrophobicContact CD1-CG 4.01Å; Y520-E526 HydrophobicContact CD2-CB 3.93Å; Y520-E526 HydrophobicContact CD2-CG 3.63Å; Y520-E526 HydrophobicContact CE1-CB 4.22Å; Y520-E526 HydrophobicContact CE1-CG 4.09Å; Y520-E526 HydrophobicContact CE2-CB 4.45Å; Y520-E526 HydrophobicContact CE2-CG 3.76Å; Y520-E526 HydrophobicContact CG-CB 3.53Å; Y520-E526 HydrophobicContact CG-CG 3.77Å; Y520-I529 HydrophobicContact CD1-CD1 4.33Å; Y520-I529 HydrophobicContact CE1-CB 4.23Å; Y520-I529 HydrophobicContact CE1-CD1 4.4Å; Y520-I529 HydrophobicContact CE1-CG2 3.99Å | ||
| 521 | S | 67.5 | Low | 66.7 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -84.4 | -14.3 | 174.6 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | Q525 | S521-Q525 PolarHBondContact OG-OE1 2.97Š|
| 522 | S | 75 | Confident | 67.4 | Low | 56 Ų | 56 | 94.3 Ų | 94.3 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -153.4 | 155.3 | 174.3 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | Q524 Q525 E526 | S522-Q524 PolarHBondContact O-N 3.4Å; S522-Q525 PolarHBondContact O-N 3.16Å; S522-Q525 WeakPolarHBondContact OG-CB 3.3Å; S522-Q525 PolarHBondContact OG-N 3.46Å; S522-E526 PolarHBondContact O-N 2.86Å |
| 523 | L | 72.9 | Confident | 67.8 | Low | 133 Ų | 133 | 91.6 Ų | 91.6 | 70% | 0.696 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.3 | -32.2 | 176.8 | -166.2 | 73 | 0 | 0 | 0 | 112.5 | E526 V527 | L523-E526 WeakPolarHBondContact O-CB 3.47Å; L523-E526 PolarHBondContact O-N 2.67Å; L523-V527 WeakPolarHBondContact O-CG2 3.34Å; L523-V527 PolarHBondContact O-N 3.12Å |
| 524 | Q | 74.7 | Confident | 68.8 | Low | 125 Ų | 125 | 95.1 Ų | 95.1 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -44.2 | 176.6 | -170.9 | 63.1 | 40.3 | 0 | 0 | 111.3 | S522 E526 V527 D528 | S522-Q524 PolarHBondContact O-N 3.4Å; Q524-E526 VanDerWaalsContact C-N 3.3Å; Q524-E526 PolarHBondContact O-N 2.79Å; Q524-V527 PolarHBondContact O-N 3.46Å; Q524-D528 PolarHBondContact O-N 3.11Å |
| 525 | Q | 76.3 | Confident | 69.8 | Low | 76 Ų | 76 | 97.3 Ų | 97.3 | 36% | 0.355 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.1 | -169.7 | -171.1 | 22.6 | 0 | 0 | 111.2 | S521 S522 D528 I529 | S521-Q525 PolarHBondContact OG-OE1 2.97Å; S522-Q525 PolarHBondContact O-N 3.16Å; S522-Q525 WeakPolarHBondContact OG-CB 3.3Å; S522-Q525 PolarHBondContact OG-N 3.46Å; Q525-D528 PolarHBondContact O-N 2.74Å; Q525-I529 HydrophobicContact CG-CD1 3.74Å; Q525-I529 HydrophobicContact CG-CG1 4.42Å; Q525-I529 VanDerWaalsContact O-CB 3.25Å; Q525-I529 WeakPolarHBondContact O-CB 3.26Å; Q525-I529 WeakPolarHBondContact O-CG1 3.3Å; Q525-I529 PolarHBondContact O-N 3.23Å |
| 526 | E | 76.3 | Confident | 70.6 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 24% | 0.238 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | 172.9 | -177.2 | 175.4 | 176.4 | 0 | 0 | 112.3 | Y520 S522 L523 Q524 K530 | Y520-E526 VanDerWaalsContact CD1-CA 3.43Å; Y520-E526 HydrophobicContact CD1-CB 3.71Å; Y520-E526 HydrophobicContact CD1-CG 4.01Å; Y520-E526 HydrophobicContact CD2-CB 3.93Å; Y520-E526 HydrophobicContact CD2-CG 3.63Å; Y520-E526 HydrophobicContact CE1-CB 4.22Å; Y520-E526 HydrophobicContact CE1-CG 4.09Å; Y520-E526 HydrophobicContact CE2-CB 4.45Å; Y520-E526 HydrophobicContact CE2-CG 3.76Å; Y520-E526 HydrophobicContact CG-CB 3.53Å; Y520-E526 HydrophobicContact CG-CG 3.77Å; S522-E526 PolarHBondContact O-N 2.86Å; L523-E526 WeakPolarHBondContact O-CB 3.47Å; L523-E526 PolarHBondContact O-N 2.67Å; Q524-E526 VanDerWaalsContact C-N 3.3Å; Q524-E526 PolarHBondContact O-N 2.79Å; E526-K530 HydrophobicContact CG-CD 3.89Å; E526-K530 HydrophobicContact CG-CG 4.42Å; E526-K530 VanDerWaalsContact O-CB 3.22Å; E526-K530 WeakPolarHBondContact O-CB 3.2Å; E526-K530 VanDerWaalsContact O-CG 3.29Å; E526-K530 WeakPolarHBondContact O-CG 3.13Å; E526-K530 PolarHBondContact O-N 3.1Å; E526-K530 WeakPolarHBondContact OE1-CE 3.37Å; E526-K530 IonicContact OE1-NZ 3.45Å; E526-K530 PolarHBondContact OE1-NZ 3.47Å |
| 527 | V | 78 | Confident | 71.8 | Confident | 72 Ų | 72 | 95.9 Ų | 95.9 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 177.6 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | L523 Q524 I529 K530 T531 | L523-V527 WeakPolarHBondContact O-CG2 3.34Å; L523-V527 PolarHBondContact O-N 3.12Å; Q524-V527 PolarHBondContact O-N 3.46Å; V527-I529 PolarHBondContact O-N 3.48Å; V527-K530 PolarHBondContact O-N 3.09Å; V527-T531 VanDerWaalsContact O-CB 3.22Å; V527-T531 WeakPolarHBondContact O-CB 3.46Å; V527-T531 PolarHBondContact O-N 3.16Å; V527-T531 PolarHBondContact O-OG1 3.1Å |
| 528 | D | 77.3 | Confident | 73 | Confident | 81 Ų | 81 | 93.6 Ų | 93.6 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | -179.3 | -73.3 | -22.4 | 0 | 0 | 0 | 112.1 | Q524 Q525 T531 K532 | Q524-D528 PolarHBondContact O-N 3.11Å; Q525-D528 PolarHBondContact O-N 2.74Å; D528-T531 PolarHBondContact O-N 3.26Å; D528-K532 WeakPolarHBondContact O-CG 3.4Å; D528-K532 PolarHBondContact O-N 3.11Å |
| 529 | I | 73.7 | Confident | 73.8 | Confident | 28 Ų | 28 | 93.7 Ų | 93.7 | 14% | 0.144 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -71.3 | -47.2 | 178.1 | -71.1 | 176.9 | 0 | 0 | 0 | 111.1 | E518 Y520 Q525 V527 T531 K532 K533 | E518-I529 WeakPolarHBondContact OE1-CG2 3.19Å; E518-I529 WeakPolarHBondContact OE2-CG2 3.45Å; Y520-I529 HydrophobicContact CD1-CD1 4.33Å; Y520-I529 HydrophobicContact CE1-CB 4.23Å; Y520-I529 HydrophobicContact CE1-CD1 4.4Å; Y520-I529 HydrophobicContact CE1-CG2 3.99Å; Q525-I529 HydrophobicContact CG-CD1 3.74Å; Q525-I529 HydrophobicContact CG-CG1 4.42Å; Q525-I529 VanDerWaalsContact O-CB 3.25Å; Q525-I529 WeakPolarHBondContact O-CB 3.26Å; Q525-I529 WeakPolarHBondContact O-CG1 3.3Å; Q525-I529 PolarHBondContact O-N 3.23Å; V527-I529 PolarHBondContact O-N 3.48Å; I529-T531 PolarHBondContact O-N 3.47Å; I529-K532 CarbonylContact O-C 3.59Å; I529-K532 WeakPolarHBondContact O-CA 3.2Å; I529-K532 WeakPolarHBondContact O-CB 3.31Å; I529-K532 PolarHBondContact O-N 3.19Å; I529-K533 PolarHBondContact O-N 3.05Å |
| 530 | K | 76.6 | Confident | 74.2 | Confident | 104 Ų | 104 | 91.5 Ų | 91.5 | 45% | 0.452 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.6 | -34.3 | 173.5 | -76.2 | -179.5 | 175 | 176.9 | 0 | 111.7 | E526 V527 K533 L534 | E526-K530 HydrophobicContact CG-CD 3.89Å; E526-K530 HydrophobicContact CG-CG 4.42Å; E526-K530 VanDerWaalsContact O-CB 3.22Å; E526-K530 WeakPolarHBondContact O-CB 3.2Å; E526-K530 VanDerWaalsContact O-CG 3.29Å; E526-K530 WeakPolarHBondContact O-CG 3.13Å; E526-K530 PolarHBondContact O-N 3.1Å; E526-K530 WeakPolarHBondContact OE1-CE 3.37Å; E526-K530 IonicContact OE1-NZ 3.45Å; E526-K530 PolarHBondContact OE1-NZ 3.47Å; V527-K530 PolarHBondContact O-N 3.09Å; K530-K533 PolarHBondContact O-N 3.41Å; K530-L534 VanDerWaalsContact O-CB 3.22Å; K530-L534 WeakPolarHBondContact O-CB 3.25Å; K530-L534 PolarHBondContact O-N 3.13Å |
| 531 | T | 81.4 | Confident | 74.6 | Confident | 59 Ų | 59 | 92.2 Ų | 92.2 | 36% | 0.362 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 173.4 | -60 | 0 | 0 | 0 | 0 | 111.8 | V527 D528 I529 K535 | V527-T531 VanDerWaalsContact O-CB 3.22Å; V527-T531 WeakPolarHBondContact O-CB 3.46Å; V527-T531 PolarHBondContact O-N 3.16Å; V527-T531 PolarHBondContact O-OG1 3.1Å; D528-T531 PolarHBondContact O-N 3.26Å; I529-T531 PolarHBondContact O-N 3.47Å; T531-K535 WeakPolarHBondContact O-CB 3.22Å; T531-K535 WeakPolarHBondContact O-CG 3.46Å; T531-K535 PolarHBondContact O-N 3Å |
| 532 | K | 77.4 | Confident | 75 | Confident | 143 Ų | 143 | 92.4 Ų | 92.4 | 62% | 0.622 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 172.7 | -73.5 | 170.7 | -178.4 | 173.8 | 0 | 112 | D528 I529 K535 K536 | D528-K532 WeakPolarHBondContact O-CG 3.4Å; D528-K532 PolarHBondContact O-N 3.11Å; I529-K532 CarbonylContact O-C 3.59Å; I529-K532 WeakPolarHBondContact O-CA 3.2Å; I529-K532 WeakPolarHBondContact O-CB 3.31Å; I529-K532 PolarHBondContact O-N 3.19Å; K532-K535 PolarHBondContact O-N 2.75Å; K532-K536 PolarHBondContact O-N 2.97Å |
| 533 | K | 70.6 | Confident | 74.8 | Confident | 45 Ų | 45 | 92.2 Ų | 92.2 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 173.8 | -78.4 | -178.1 | 164.5 | 171.5 | 0 | 111.5 | L514 E515 E518 I529 K530 K535 K536 L537 | L514-K533 VanDerWaalsContact O-CE 3.24Å; L514-K533 WeakPolarHBondContact O-CE 3.22Å; L514-K533 PolarHBondContact O-NZ 3.28Å; E515-K533 PolarHBondContact O-NZ 3.43Å; E518-K533 WeakPolarHBondContact OE2-CE 3.29Å; E518-K533 IonicContact OE2-NZ 3.23Å; E518-K533 PolarHBondContact OE2-NZ 3.11Å; I529-K533 PolarHBondContact O-N 3.05Å; K530-K533 PolarHBondContact O-N 3.41Å; K533-K535 VanDerWaalsContact C-N 3.33Å; K533-K535 PolarHBondContact O-N 2.87Å; K533-K536 PolarHBondContact O-N 3.27Å; K533-L537 WeakPolarHBondContact O-CB 3.5Å; K533-L537 WeakPolarHBondContact O-CG 3.38Å; K533-L537 PolarHBondContact O-N 3.35Å |
| 534 | L | 75.5 | Confident | 74.6 | Confident | 122 Ų | 122 | 89.4 Ų | 89.4 | 64% | 0.639 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.6 | -42 | 175.5 | -174.2 | 65.9 | 0 | 0 | 0 | 111.4 | K530 F538 | K530-L534 VanDerWaalsContact O-CB 3.22Å; K530-L534 WeakPolarHBondContact O-CB 3.25Å; K530-L534 PolarHBondContact O-N 3.13Å; L534-F538 WeakPolarHBondContact O-CB 3.46Å; L534-F538 PolarHBondContact O-N 3.06Å |
| 535 | K | 75.7 | Confident | 74.6 | Confident | 143 Ų | 143 | 89.9 Ų | 89.9 | 62% | 0.622 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.8 | -47.6 | 173 | -76.7 | 176.6 | 179.2 | -177.8 | 0 | 112.3 | T531 K532 K533 F538 S539 | T531-K535 WeakPolarHBondContact O-CB 3.22Å; T531-K535 WeakPolarHBondContact O-CG 3.46Å; T531-K535 PolarHBondContact O-N 3Å; K532-K535 PolarHBondContact O-N 2.75Å; K533-K535 VanDerWaalsContact C-N 3.33Å; K533-K535 PolarHBondContact O-N 2.87Å; K535-F538 PolarHBondContact O-N 3.01Å; K535-S539 PolarHBondContact O-N 2.65Å; K535-S539 PolarHBondContact O-OG 3.03Å |
| 536 | K | 71.7 | Confident | 74.4 | Confident | 132 Ų | 132 | 88.4 Ų | 88.4 | 57% | 0.574 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.4 | -48.5 | 176.1 | -79.3 | -169.1 | 174 | -167.9 | 0 | 112.2 | K532 K533 F538 S539 K540 | K532-K536 PolarHBondContact O-N 2.97Å; K533-K536 PolarHBondContact O-N 3.27Å; K536-F538 VanDerWaalsContact C-N 3.35Å; K536-S539 PolarHBondContact O-N 2.89Å; K536-K540 PolarHBondContact O-N 3.23Å |
| 537 | L | 73.7 | Confident | 74.2 | Confident | 95 Ų | 95 | 89.8 Ų | 89.8 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 178.6 | -71.5 | 172.5 | 0 | 0 | 0 | 111.9 | K533 K540 L541 | K533-L537 WeakPolarHBondContact O-CB 3.5Å; K533-L537 WeakPolarHBondContact O-CG 3.38Å; K533-L537 PolarHBondContact O-N 3.35Å; L537-K540 PolarHBondContact O-N 2.92Å; L537-L541 VanDerWaalsContact O-CB 3.24Å; L537-L541 WeakPolarHBondContact O-CB 3.33Å; L537-L541 PolarHBondContact O-N 3.15Å |
| 538 | F | 75.8 | Confident | 74 | Confident | 124 Ų | 124 | 90.4 Ų | 90.4 | 54% | 0.544 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 173.3 | -174.7 | -92.7 | 0 | 0 | 0 | 111.3 | L534 K535 K536 L541 Q542 | L534-F538 WeakPolarHBondContact O-CB 3.46Å; L534-F538 PolarHBondContact O-N 3.06Å; K535-F538 PolarHBondContact O-N 3.01Å; K536-F538 VanDerWaalsContact C-N 3.35Å; F538-L541 PolarHBondContact O-N 3.17Å; F538-Q542 WeakPolarHBondContact O-CB 3.22Å; F538-Q542 PolarHBondContact O-N 2.95Å |
| 539 | S | 71.9 | Confident | 74 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 173 | -63.2 | 0 | 0 | 0 | 0 | 112.7 | K535 K536 Q542 A543 | K535-S539 PolarHBondContact O-N 2.65Å; K535-S539 PolarHBondContact O-OG 3.03Å; K536-S539 PolarHBondContact O-N 2.89Å; S539-Q542 PolarHBondContact O-N 3.23Å; S539-A543 WeakPolarHBondContact O-CB 3.44Å; S539-A543 PolarHBondContact O-N 3.03Å |
| 540 | K | 70.1 | Confident | 73.9 | Confident | 96 Ų | 96 | 91.4 Ų | 91.4 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 172.7 | -75.3 | -173.1 | 175.8 | -176.4 | 0 | 110.9 | E511 K536 L537 Q542 A543 V544 | E511-K540 IonicContact OE1-NZ 3.6Å; E511-K540 IonicContact OE2-NZ 3.11Å; E511-K540 PolarHBondContact OE2-NZ 2.99Å; K536-K540 PolarHBondContact O-N 3.23Å; L537-K540 PolarHBondContact O-N 2.92Å; K540-Q542 PolarHBondContact O-N 3.45Å; K540-A543 PolarHBondContact O-N 3.21Å; K540-V544 WeakPolarHBondContact O-CG2 3.42Å; K540-V544 PolarHBondContact O-N 3.32Å |
| 541 | L | 74.6 | Confident | 73.6 | Confident | 90 Ų | 90 | 89.2 Ų | 89.2 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.7 | 180 | 65.6 | 0 | 0 | 0 | 112.4 | L537 F538 V544 K545 | L537-L541 VanDerWaalsContact O-CB 3.24Å; L537-L541 WeakPolarHBondContact O-CB 3.33Å; L537-L541 PolarHBondContact O-N 3.15Å; F538-L541 PolarHBondContact O-N 3.17Å; L541-V544 PolarHBondContact O-N 3.47Å; L541-K545 HydrophobicContact CG-CD 4.41Å; L541-K545 WeakPolarHBondContact O-CB 3.41Å; L541-K545 VanDerWaalsContact O-CG 3.32Å; L541-K545 WeakPolarHBondContact O-CG 3.22Å; L541-K545 PolarHBondContact O-N 2.85Å |
| 542 | Q | 75.9 | Confident | 73.3 | Confident | 113 Ų | 113 | 91.8 Ų | 91.8 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 178.5 | -171.5 | 171 | 4.3 | 0 | 0 | 111.4 | F538 S539 K540 K545 A546 | F538-Q542 WeakPolarHBondContact O-CB 3.22Å; F538-Q542 PolarHBondContact O-N 2.95Å; S539-Q542 PolarHBondContact O-N 3.23Å; K540-Q542 PolarHBondContact O-N 3.45Å; Q542-K545 PolarHBondContact O-N 2.98Å; Q542-A546 WeakPolarHBondContact O-CB 3.1Å; Q542-A546 PolarHBondContact O-N 3.4Å |
| 543 | A | 69.9 | Low | 73.3 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S539 K540 K545 A546 E547 | S539-A543 WeakPolarHBondContact O-CB 3.44Å; S539-A543 PolarHBondContact O-N 3.03Å; K540-A543 PolarHBondContact O-N 3.21Å; A543-K545 PolarHBondContact O-N 3Å; A543-A546 PolarHBondContact O-N 3.49Å; A543-E547 PolarHBondContact O-N 3.28Å |
| 544 | V | 70.6 | Confident | 73.3 | Confident | 73 Ų | 73 | 89.1 Ų | 89.1 | 44% | 0.442 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | K540 L541 E547 I548 | K540-V544 WeakPolarHBondContact O-CG2 3.42Å; K540-V544 PolarHBondContact O-N 3.32Å; L541-V544 PolarHBondContact O-N 3.47Å; V544-E547 PolarHBondContact O-N 2.84Å; V544-I548 HydrophobicContact CG1-CD1 3.98Å; V544-I548 VanDerWaalsContact O-CG1 3.31Å; V544-I548 WeakPolarHBondContact O-CG1 3.24Å; V544-I548 PolarHBondContact O-N 3.49Å |
| 545 | K | 74.1 | Confident | 73.1 | Confident | 136 Ų | 136 | 89.4 Ų | 89.4 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 173.7 | -79.3 | -176.6 | 175.5 | -168.1 | 0 | 112.4 | L541 Q542 A543 I548 H549 | L541-K545 HydrophobicContact CG-CD 4.41Å; L541-K545 WeakPolarHBondContact O-CB 3.41Å; L541-K545 VanDerWaalsContact O-CG 3.32Å; L541-K545 WeakPolarHBondContact O-CG 3.22Å; L541-K545 PolarHBondContact O-N 2.85Å; Q542-K545 PolarHBondContact O-N 2.98Å; A543-K545 PolarHBondContact O-N 3Å; K545-I548 PolarHBondContact O-N 2.68Å; K545-H549 WeakPolarHBondContact O-CB 3.32Å; K545-H549 PolarHBondContact O-N 3.43Å |
| 546 | A | 72.5 | Confident | 73.2 | Confident | 44 Ų | 44 | 87 Ų | 87 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q542 A543 H549 D550 | Q542-A546 WeakPolarHBondContact O-CB 3.1Å; Q542-A546 PolarHBondContact O-N 3.4Å; A543-A546 PolarHBondContact O-N 3.49Å; A546-H549 PolarHBondContact O-N 3.05Å; A546-D550 VanDerWaalsContact O-CB 3.32Å; A546-D550 WeakPolarHBondContact O-CB 3.4Å; A546-D550 PolarHBondContact O-N 2.83Å |
| 547 | E | 71.4 | Confident | 73.4 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.5 | -174.5 | 174.5 | -160.6 | 0 | 0 | 112.3 | A543 V544 H549 D550 L551 | A543-E547 PolarHBondContact O-N 3.28Å; V544-E547 PolarHBondContact O-N 2.84Å; E547-H549 VanDerWaalsContact C-N 3.35Å; E547-D550 PolarHBondContact O-N 3.46Å; E547-L551 HydrophobicContact CG-CD1 4.06Å; E547-L551 WeakPolarHBondContact O-CB 3.36Å; E547-L551 WeakPolarHBondContact O-CD1 3.18Å; E547-L551 WeakPolarHBondContact O-CG 3.31Å; E547-L551 PolarHBondContact O-N 2.98Å |
| 548 | I | 74.1 | Confident | 73.1 | Confident | 86 Ų | 86 | 85.2 Ų | 85.2 | 44% | 0.441 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 174.2 | -69.4 | 165.2 | 0 | 0 | 0 | 110.8 | V544 K545 L551 Q552 | V544-I548 HydrophobicContact CG1-CD1 3.98Å; V544-I548 VanDerWaalsContact O-CG1 3.31Å; V544-I548 WeakPolarHBondContact O-CG1 3.24Å; V544-I548 PolarHBondContact O-N 3.49Å; K545-I548 PolarHBondContact O-N 2.68Å; I548-L551 PolarHBondContact O-N 2.93Å; I548-Q552 WeakPolarHBondContact O-CB 3.34Å; I548-Q552 VanDerWaalsContact O-CG 3.3Å; I548-Q552 WeakPolarHBondContact O-CG 3.48Å; I548-Q552 PolarHBondContact O-N 2.79Å |
| 549 | H | 76.4 | Confident | 73.1 | Confident | 100 Ų | 100 | 86.9 Ų | 86.9 | 46% | 0.463 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -49.8 | 177.2 | -173 | -83.6 | 0 | 0 | 0 | 111.8 | K545 A546 E547 L551 Q552 E553 | K545-H549 WeakPolarHBondContact O-CB 3.32Å; K545-H549 PolarHBondContact O-N 3.43Å; A546-H549 PolarHBondContact O-N 3.05Å; E547-H549 VanDerWaalsContact C-N 3.35Å; H549-L551 VanDerWaalsContact C-N 3.26Å; H549-L551 PolarHBondContact O-N 3.16Å; H549-Q552 WeakPolarHBondContact O-CB 3.27Å; H549-Q552 PolarHBondContact O-N 2.85Å; H549-Q552 VanDerWaalsContact O-N 3.08Å; H549-E553 IonicContact CE1-OE1 2.73Å; H549-E553 PolarHBondContact CE1-OE1 3.2Å; H549-E553 VanDerWaalsContact CE1-OE1 3.23Å; H549-E553 IonicContact CE1-OE2 3.94Å; H549-E553 IonicContact ND1-OE1 3.17Å; H549-E553 IonicContact ND1-OE2 4Å; H549-E553 PolarHBondContact O-N 3.35Å |
| 550 | D | 72.9 | Confident | 73.3 | Confident | 30 Ų | 30 | 89.4 Ų | 89.4 | 16% | 0.16 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -52.9 | -43.1 | 173.9 | -84.3 | 16.7 | 0 | 0 | 0 | 112 | K55 R332 A546 E547 E554 | K55-D550 WeakPolarHBondContact CE-OD2 2.81Å; K55-D550 IonicContact NZ-OD1 3.77Å; K55-D550 IonicContact NZ-OD2 3.2Å; K55-D550 PolarHBondContact NZ-OD2 3.24Å; R332-D550 IonicContact CZ-OD2 2.79Å; R332-D550 IonicContact NH2-OD2 3.83Å; R332-D550 PolarHBondContact NH2-OD2 2.85Å; A546-D550 VanDerWaalsContact O-CB 3.32Å; A546-D550 WeakPolarHBondContact O-CB 3.4Å; A546-D550 PolarHBondContact O-N 2.83Å; E547-D550 PolarHBondContact O-N 3.46Å; D550-E554 VanDerWaalsContact O-CB 3.29Å; D550-E554 WeakPolarHBondContact O-CB 3.29Å; D550-E554 PolarHBondContact O-N 3.41Å |
| 551 | L | 69.1 | Low | 73.3 | Confident | 58 Ų | 58 | 88.1 Ų | 88.1 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 178.6 | -73.9 | 169 | 0 | 0 | 0 | 111.9 | R336 E547 I548 H549 H555 | R336-L551 VanDerWaalsContact NH2-CD2 3.32Å; E547-L551 HydrophobicContact CG-CD1 4.06Å; E547-L551 WeakPolarHBondContact O-CB 3.36Å; E547-L551 WeakPolarHBondContact O-CD1 3.18Å; E547-L551 WeakPolarHBondContact O-CG 3.31Å; E547-L551 PolarHBondContact O-N 2.98Å; I548-L551 PolarHBondContact O-N 2.93Å; H549-L551 VanDerWaalsContact C-N 3.26Å; H549-L551 PolarHBondContact O-N 3.16Å; L551-H555 WeakPolarHBondContact O-CB 3.41Å; L551-H555 PolarHBondContact O-N 2.89Å |
| 552 | Q | 74.7 | Confident | 73 | Confident | 113 Ų | 113 | 89.7 Ų | 89.7 | 53% | 0.528 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 173.7 | -75.7 | 174 | -30 | 0 | 0 | 111.3 | I548 H549 H555 I556 | I548-Q552 WeakPolarHBondContact O-CB 3.34Å; I548-Q552 VanDerWaalsContact O-CG 3.3Å; I548-Q552 WeakPolarHBondContact O-CG 3.48Å; I548-Q552 PolarHBondContact O-N 2.79Å; H549-Q552 WeakPolarHBondContact O-CB 3.27Å; H549-Q552 PolarHBondContact O-N 2.85Å; H549-Q552 VanDerWaalsContact O-N 3.08Å; Q552-H555 PolarHBondContact O-N 2.79Å; Q552-I556 WeakPolarHBondContact O-CB 3.48Å; Q552-I556 WeakPolarHBondContact O-CD1 3.39Å; Q552-I556 WeakPolarHBondContact O-CG1 3.17Å; Q552-I556 PolarHBondContact O-N 2.9Å |
| 553 | E | 77.5 | Confident | 73.1 | Confident | 108 Ų | 108 | 88.8 Ų | 88.8 | 51% | 0.505 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.1 | -73.6 | -172.2 | 141.9 | 0 | 0 | 112.1 | H549 H555 I556 K557 | H549-E553 IonicContact CE1-OE1 2.73Å; H549-E553 PolarHBondContact CE1-OE1 3.2Å; H549-E553 VanDerWaalsContact CE1-OE1 3.23Å; H549-E553 IonicContact CE1-OE2 3.94Å; H549-E553 IonicContact ND1-OE1 3.17Å; H549-E553 IonicContact ND1-OE2 4Å; H549-E553 PolarHBondContact O-N 3.35Å; E553-H555 VanDerWaalsContact C-N 3.34Å; E553-H555 PolarHBondContact O-N 2.81Å; E553-I556 PolarHBondContact O-N 3.41Å; E553-K557 VanDerWaalsContact O-CB 3.28Å; E553-K557 WeakPolarHBondContact O-CB 3.43Å; E553-K557 PolarHBondContact O-N 2.82Å |
| 554 | E | 71.3 | Confident | 73.4 | Confident | 24 Ų | 24 | 92.6 Ų | 92.6 | 11% | 0.112 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.4 | -177 | 158.5 | -132.7 | 0 | 0 | 111 | R251 R332 D550 K557 E558 | R251-E554 IonicContact NH2-OE1 3.86Å; R251-E554 PolarHBondContact NH2-OE1 3.35Å; R332-E554 IonicContact CZ-OE2 2.91Å; R332-E554 IonicContact NH1-OE1 2.8Å; R332-E554 IonicContact NH1-OE2 2.68Å; R332-E554 PolarHBondContact NH1-OE2 2.87Å; D550-E554 VanDerWaalsContact O-CB 3.29Å; D550-E554 WeakPolarHBondContact O-CB 3.29Å; D550-E554 PolarHBondContact O-N 3.41Å; E554-K557 PolarHBondContact O-N 2.88Å; E554-E558 WeakPolarHBondContact CG-OE1 3.47Å; E554-E558 WeakPolarHBondContact O-CB 3.47Å; E554-E558 WeakPolarHBondContact O-CG 3.43Å; E554-E558 PolarHBondContact O-N 3.27Å |
| 555 | H | 71.8 | Confident | 73.3 | Confident | 127 Ų | 127 | 91.7 Ų | 91.7 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.1 | -37.5 | 176.8 | -176.3 | -94.1 | 0 | 0 | 0 | 113.5 | L551 Q552 E553 R559 | L551-H555 WeakPolarHBondContact O-CB 3.41Å; L551-H555 PolarHBondContact O-N 2.89Å; Q552-H555 PolarHBondContact O-N 2.79Å; E553-H555 VanDerWaalsContact C-N 3.34Å; E553-H555 PolarHBondContact O-N 2.81Å; H555-R559 VanDerWaalsContact O-CB 3.29Å; H555-R559 WeakPolarHBondContact O-CB 3.28Å; H555-R559 PolarHBondContact O-N 3.47Å |
| 556 | I | 77.6 | Confident | 73.4 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 48% | 0.477 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.9 | -72.4 | 162.5 | 0 | 0 | 0 | 109.7 | Q552 E553 R559 Q560 | Q552-I556 WeakPolarHBondContact O-CB 3.48Å; Q552-I556 WeakPolarHBondContact O-CD1 3.39Å; Q552-I556 WeakPolarHBondContact O-CG1 3.17Å; Q552-I556 PolarHBondContact O-N 2.9Å; E553-I556 PolarHBondContact O-N 3.41Å; I556-R559 WeakPolarHBondContact O-CB 3.37Å; I556-R559 PolarHBondContact O-N 2.9Å; I556-Q560 WeakPolarHBondContact O-CG 3.32Å; I556-Q560 PolarHBondContact O-N 3.49Å |
| 557 | K | 74.9 | Confident | 73.8 | Confident | 108 Ų | 108 | 93.5 Ų | 93.5 | 47% | 0.47 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 179.1 | -173.7 | 178.2 | -179.5 | -177.2 | 0 | 112.2 | E553 E554 R559 Q560 E561 | E553-K557 VanDerWaalsContact O-CB 3.28Å; E553-K557 WeakPolarHBondContact O-CB 3.43Å; E553-K557 PolarHBondContact O-N 2.82Å; E554-K557 PolarHBondContact O-N 2.88Å; K557-R559 VanDerWaalsContact C-N 3.33Å; K557-R559 PolarHBondContact O-N 2.9Å; K557-Q560 PolarHBondContact O-N 2.86Å; K557-E561 WeakPolarHBondContact CE-OE1 3.28Å; K557-E561 WeakPolarHBondContact O-CB 3.32Å; K557-E561 WeakPolarHBondContact O-CG 3.32Å; K557-E561 PolarHBondContact O-N 3.39Å |
| 558 | E | 67.8 | Low | 74 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 38% | 0.379 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 174.1 | -77.7 | 171.4 | -172.1 | 0 | 0 | 111.6 | R251 E554 E561 L562 | R251-E558 IonicContact NH2-OE1 3.86Å; R251-E558 PolarHBondContact NH2-OE1 3.47Å; R251-E558 VanDerWaalsContact NH2-OE1 3.15Å; E554-E558 WeakPolarHBondContact CG-OE1 3.47Å; E554-E558 WeakPolarHBondContact O-CB 3.47Å; E554-E558 WeakPolarHBondContact O-CG 3.43Å; E554-E558 PolarHBondContact O-N 3.27Å; E558-E561 PolarHBondContact O-N 2.98Å; E558-L562 WeakPolarHBondContact O-CB 3.37Å; E558-L562 VanDerWaalsContact O-CG 3.27Å; E558-L562 WeakPolarHBondContact O-CG 3.42Å; E558-L562 PolarHBondContact O-N 3.34Å |
| 559 | R | 76 | Confident | 74 | Confident | 160 Ų | 160 | 96.5 Ų | 96.5 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 173.4 | 180 | 177.3 | 169.9 | 178.9 | -3.1 | 112 | H555 I556 K557 L562 E563 | H555-R559 VanDerWaalsContact O-CB 3.29Å; H555-R559 WeakPolarHBondContact O-CB 3.28Å; H555-R559 PolarHBondContact O-N 3.47Å; I556-R559 WeakPolarHBondContact O-CB 3.37Å; I556-R559 PolarHBondContact O-N 2.9Å; K557-R559 VanDerWaalsContact C-N 3.33Å; K557-R559 PolarHBondContact O-N 2.9Å; R559-L562 PolarHBondContact O-N 3.31Å; R559-E563 VanDerWaalsContact O-CB 3.28Å; R559-E563 WeakPolarHBondContact O-CB 3.3Å; R559-E563 PolarHBondContact O-N 3.48Å |
| 560 | Q | 77 | Confident | 74.3 | Confident | 106 Ų | 106 | 94.4 Ų | 94.4 | 50% | 0.495 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.7 | -73.5 | 172.7 | -19.1 | 0 | 0 | 112.3 | I556 K557 L562 E563 Q564 | I556-Q560 WeakPolarHBondContact O-CG 3.32Å; I556-Q560 PolarHBondContact O-N 3.49Å; K557-Q560 PolarHBondContact O-N 2.86Å; Q560-L562 VanDerWaalsContact C-N 3.33Å; Q560-L562 PolarHBondContact O-N 2.94Å; Q560-E563 PolarHBondContact O-N 3.26Å; Q560-Q564 WeakPolarHBondContact O-CB 3.45Å; Q560-Q564 WeakPolarHBondContact O-CG 3.48Å; Q560-Q564 PolarHBondContact O-N 3.44Å |
| 561 | E | 69.5 | Low | 74.7 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 32% | 0.318 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 175 | -73.9 | 173.8 | -169.1 | 0 | 0 | 111 | R251 K557 E558 T565 | R251-E561 IonicContact NH1-OE1 2.62Å; R251-E561 PolarHBondContact NH1-OE1 3.32Å; R251-E561 VanDerWaalsContact NH1-OE1 3.17Å; R251-E561 IonicContact NH1-OE2 3.83Å; R251-E561 PolarHBondContact NH1-OE2 2.82Å; R251-E561 VanDerWaalsContact NH1-OE2 3.11Å; K557-E561 WeakPolarHBondContact CE-OE1 3.28Å; K557-E561 WeakPolarHBondContact O-CB 3.32Å; K557-E561 WeakPolarHBondContact O-CG 3.32Å; K557-E561 PolarHBondContact O-N 3.39Å; E558-E561 PolarHBondContact O-N 2.98Å; E561-T565 WeakPolarHBondContact O-CB 3.21Å; E561-T565 PolarHBondContact O-N 2.94Å; E561-T565 PolarHBondContact O-OG1 3.49Å |
| 562 | L | 68.1 | Low | 75.2 | Confident | 123 Ų | 123 | 100.1 Ų | 100.1 | 64% | 0.644 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.5 | -42 | 174.5 | -72.8 | 170.7 | 0 | 0 | 0 | 112.8 | E558 R559 Q560 T565 Q566 | E558-L562 WeakPolarHBondContact O-CB 3.37Å; E558-L562 VanDerWaalsContact O-CG 3.27Å; E558-L562 WeakPolarHBondContact O-CG 3.42Å; E558-L562 PolarHBondContact O-N 3.34Å; R559-L562 PolarHBondContact O-N 3.31Å; Q560-L562 VanDerWaalsContact C-N 3.33Å; Q560-L562 PolarHBondContact O-N 2.94Å; L562-T565 WeakPolarHBondContact O-CB 3.29Å; L562-T565 PolarHBondContact O-N 3.19Å; L562-Q566 WeakPolarHBondContact O-CB 3.32Å; L562-Q566 PolarHBondContact O-N 3.13Å |
| 563 | E | 77.8 | Confident | 75.4 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67 | -41 | 179.2 | -175.3 | 162.5 | -162.5 | 0 | 0 | 111.7 | R559 Q560 Q566 N567 | R559-E563 VanDerWaalsContact O-CB 3.28Å; R559-E563 WeakPolarHBondContact O-CB 3.3Å; R559-E563 PolarHBondContact O-N 3.48Å; Q560-E563 PolarHBondContact O-N 3.26Å; E563-Q566 PolarHBondContact O-N 3.33Å; E563-N567 WeakPolarHBondContact O-CB 3.28Å; E563-N567 VanDerWaalsContact O-CG 3.24Å; E563-N567 PolarHBondContact O-N 3.4Å; E563-N567 PolarHBondContact O-ND2 2.92Å |
| 564 | Q | 76.2 | Confident | 75.9 | Confident | 131 Ų | 131 | 100.9 Ų | 100.9 | 61% | 0.612 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.5 | -47.1 | 169.5 | -74 | 177.1 | -0.8 | 0 | 0 | 111.5 | Q560 Q566 N567 E568 | Q560-Q564 WeakPolarHBondContact O-CB 3.45Å; Q560-Q564 WeakPolarHBondContact O-CG 3.48Å; Q560-Q564 PolarHBondContact O-N 3.44Å; Q564-Q566 VanDerWaalsContact C-N 3.32Å; Q564-Q566 PolarHBondContact O-N 3.22Å; Q564-N567 PolarHBondContact O-N 3.3Å; Q564-E568 WeakPolarHBondContact O-CG 3.39Å; Q564-E568 PolarHBondContact O-N 2.9Å |
| 565 | T | 68.1 | Low | 76.6 | Confident | 55 Ų | 55 | 104.5 Ų | 104.5 | 34% | 0.337 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | E561 L562 E568 L569 | E561-T565 WeakPolarHBondContact O-CB 3.21Å; E561-T565 PolarHBondContact O-N 2.94Å; E561-T565 PolarHBondContact O-OG1 3.49Å; L562-T565 WeakPolarHBondContact O-CB 3.29Å; L562-T565 PolarHBondContact O-N 3.19Å; T565-E568 PolarHBondContact O-N 3.2Å; T565-L569 HydrophobicContact CG2-CD1 4.09Å; T565-L569 WeakPolarHBondContact O-CB 3.44Å; T565-L569 VanDerWaalsContact O-CG 3.28Å; T565-L569 WeakPolarHBondContact O-CG 3.19Å; T565-L569 PolarHBondContact O-N 2.81Å |
| 566 | Q | 77 | Confident | 77.1 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 58% | 0.579 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 175.9 | 179.5 | 177 | -18.6 | 0 | 0 | 112 | L562 E563 Q564 T570 | L562-Q566 WeakPolarHBondContact O-CB 3.32Å; L562-Q566 PolarHBondContact O-N 3.13Å; E563-Q566 PolarHBondContact O-N 3.33Å; Q564-Q566 VanDerWaalsContact C-N 3.32Å; Q564-Q566 PolarHBondContact O-N 3.22Å; Q566-T570 WeakPolarHBondContact O-CB 3.41Å; Q566-T570 PolarHBondContact O-N 2.95Å; Q566-T570 PolarHBondContact O-OG1 2.87Å |
| 567 | N | 81.1 | Confident | 77.5 | Confident | 94 Ų | 94 | 103 Ų | 103 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 177 | -72.7 | -20.2 | 0 | 0 | 0 | 111.7 | E563 Q564 T570 R571 | E563-N567 WeakPolarHBondContact O-CB 3.28Å; E563-N567 VanDerWaalsContact O-CG 3.24Å; E563-N567 PolarHBondContact O-N 3.4Å; E563-N567 PolarHBondContact O-ND2 2.92Å; Q564-N567 PolarHBondContact O-N 3.3Å; N567-T570 PolarHBondContact O-N 3.11Å; N567-R571 WeakPolarHBondContact O-CB 3.48Å; N567-R571 PolarHBondContact O-N 3.38Å |
| 568 | E | 75.4 | Confident | 78 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.2 | -47.9 | 172.9 | -73.2 | -172.8 | 171.4 | 0 | 0 | 112.3 | Q564 T565 T570 R571 E572 | Q564-E568 WeakPolarHBondContact O-CG 3.39Å; Q564-E568 PolarHBondContact O-N 2.9Å; T565-E568 PolarHBondContact O-N 3.2Å; E568-T570 VanDerWaalsContact C-N 3.29Å; E568-T570 PolarHBondContact O-N 3.15Å; E568-R571 WeakPolarHBondContact O-CB 3.42Å; E568-R571 PolarHBondContact O-N 3.47Å; E568-E572 PolarHBondContact O-N 2.86Å |
| 569 | L | 73.5 | Confident | 78.9 | Confident | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.3 | -73.4 | 171 | 0 | 0 | 0 | 111.7 | T565 E572 L573 | T565-L569 HydrophobicContact CG2-CD1 4.09Å; T565-L569 WeakPolarHBondContact O-CB 3.44Å; T565-L569 VanDerWaalsContact O-CG 3.28Å; T565-L569 WeakPolarHBondContact O-CG 3.19Å; T565-L569 PolarHBondContact O-N 2.81Å; L569-E572 PolarHBondContact O-N 2.87Å; L569-L573 WeakPolarHBondContact O-CB 3.37Å; L569-L573 PolarHBondContact O-N 3.17Å |
| 570 | T | 82.9 | Confident | 79.2 | Confident | 55 Ų | 55 | 97.7 Ų | 97.7 | 34% | 0.337 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 176.3 | -62.5 | 0 | 0 | 0 | 0 | 111 | Q566 N567 E568 L573 K574 | Q566-T570 WeakPolarHBondContact O-CB 3.41Å; Q566-T570 PolarHBondContact O-N 2.95Å; Q566-T570 PolarHBondContact O-OG1 2.87Å; N567-T570 PolarHBondContact O-N 3.11Å; E568-T570 VanDerWaalsContact C-N 3.29Å; E568-T570 PolarHBondContact O-N 3.15Å; T570-L573 PolarHBondContact O-N 3.47Å; T570-K574 HydrophobicContact CG2-CD 4.32Å; T570-K574 WeakPolarHBondContact O-CB 3.27Å; T570-K574 VanDerWaalsContact O-CG 3.29Å; T570-K574 WeakPolarHBondContact O-CG 3.36Å; T570-K574 PolarHBondContact O-N 3.2Å |
| 571 | R | 81.8 | Confident | 79.5 | Confident | 143 Ų | 143 | 98.2 Ų | 98.2 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 173.9 | -170.7 | 179.5 | -79.3 | 161.8 | -5.7 | 111.3 | N567 E568 K574 L575 D687 | N567-R571 WeakPolarHBondContact O-CB 3.48Å; N567-R571 PolarHBondContact O-N 3.38Å; E568-R571 WeakPolarHBondContact O-CB 3.42Å; E568-R571 PolarHBondContact O-N 3.47Å; R571-K574 PolarHBondContact O-N 3.17Å; R571-L575 WeakPolarHBondContact O-CB 3.5Å; R571-L575 PolarHBondContact O-N 3.33Å; R571-D687 IonicContact NH2-OD1 2.74Å; R571-D687 PolarHBondContact NH2-OD1 3.43Å |
| 572 | E | 78.4 | Confident | 80.2 | Confident | 65 Ų | 65 | 100.3 Ų | 100.3 | 30% | 0.304 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 174.3 | -160 | -165.1 | 174.7 | 0 | 0 | 111.6 | K263 E568 L569 L575 K576 | K263-E572 IonicContact NZ-OE1 3.75Å; E568-E572 PolarHBondContact O-N 2.86Å; L569-E572 PolarHBondContact O-N 2.87Å; E572-L575 PolarHBondContact O-N 3.09Å; E572-K576 HydrophobicContact CG-CD 4.49Å; E572-K576 WeakPolarHBondContact O-CG 3.41Å; E572-K576 PolarHBondContact O-N 3.05Å; E572-K576 WeakPolarHBondContact OE1-CE 3.28Å; E572-K576 IonicContact OE1-NZ 3.58Å; E572-K576 PolarHBondContact OE1-NZ 2.6Å; E572-K576 IonicContact OE2-NZ 2.7Å; E572-K576 PolarHBondContact OE2-NZ 2.86Å |
| 573 | L | 80.8 | Confident | 81.1 | Confident | 97 Ų | 97 | 102.2 Ų | 102.2 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 177 | -175 | 151.2 | 0 | 0 | 0 | 111.7 | L569 T570 L575 K576 H577 | L569-L573 WeakPolarHBondContact O-CB 3.37Å; L569-L573 PolarHBondContact O-N 3.17Å; T570-L573 PolarHBondContact O-N 3.47Å; L573-L575 VanDerWaalsContact C-N 3.34Å; L573-L575 PolarHBondContact O-N 3.29Å; L573-K576 PolarHBondContact O-N 3.37Å; L573-H577 VanDerWaalsContact CD2-CE1 3.45Å; L573-H577 WeakPolarHBondContact CD2-CE1 3.34Å; L573-H577 WeakPolarHBondContact CD2-ND1 3.46Å; L573-H577 PolarHBondContact O-N 3.42Å; L573-H577 PolarHBondContact O-ND1 3.38Å |
| 574 | K | 87.1 | Confident | 81.3 | Confident | 141 Ų | 141 | 100.8 Ų | 100.8 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.4 | -45.7 | 172.6 | -77.6 | 174.6 | 177 | -179.4 | 0 | 111 | T570 R571 H577 L578 | T570-K574 HydrophobicContact CG2-CD 4.32Å; T570-K574 WeakPolarHBondContact O-CB 3.27Å; T570-K574 VanDerWaalsContact O-CG 3.29Å; T570-K574 WeakPolarHBondContact O-CG 3.36Å; T570-K574 PolarHBondContact O-N 3.2Å; R571-K574 PolarHBondContact O-N 3.17Å; K574-H577 PolarHBondContact O-N 2.93Å; K574-L578 WeakPolarHBondContact O-CB 3.44Å; K574-L578 PolarHBondContact O-N 2.87Å |
| 575 | L | 84.9 | Confident | 81.9 | Confident | 100 Ų | 100 | 98.2 Ų | 98.2 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.1 | 178.6 | 63.3 | 0 | 0 | 0 | 112.2 | R571 E572 L573 H577 L578 I579 | R571-L575 WeakPolarHBondContact O-CB 3.5Å; R571-L575 PolarHBondContact O-N 3.33Å; E572-L575 PolarHBondContact O-N 3.09Å; L573-L575 VanDerWaalsContact C-N 3.34Å; L573-L575 PolarHBondContact O-N 3.29Å; L575-H577 VanDerWaalsContact C-N 3.35Å; L575-H577 PolarHBondContact O-N 2.97Å; L575-L578 PolarHBondContact O-N 3.05Å; L575-I579 HydrophobicContact CD1-CD1 4.24Å; L575-I579 HydrophobicContact CG-CD1 4.08Å; L575-I579 WeakPolarHBondContact O-CG1 3.4Å; L575-I579 PolarHBondContact O-N 3.45Å |
| 576 | K | 84.1 | Confident | 82.5 | Confident | 97 Ų | 97 | 101 Ų | 101 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 176.4 | -74.3 | 166.4 | -175.4 | 162.2 | 0 | 112 | E572 L573 I579 I580 | E572-K576 HydrophobicContact CG-CD 4.49Å; E572-K576 WeakPolarHBondContact O-CG 3.41Å; E572-K576 PolarHBondContact O-N 3.05Å; E572-K576 WeakPolarHBondContact OE1-CE 3.28Å; E572-K576 IonicContact OE1-NZ 3.58Å; E572-K576 PolarHBondContact OE1-NZ 2.6Å; E572-K576 IonicContact OE2-NZ 2.7Å; E572-K576 PolarHBondContact OE2-NZ 2.86Å; L573-K576 PolarHBondContact O-N 3.37Å; K576-I579 PolarHBondContact O-N 3.23Å; K576-I580 WeakPolarHBondContact O-CD1 3.5Å; K576-I580 VanDerWaalsContact O-CG1 3.22Å; K576-I580 WeakPolarHBondContact O-CG1 3.49Å; K576-I580 PolarHBondContact O-N 3.05Å |
| 577 | H | 84.9 | Confident | 82.8 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 43% | 0.426 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 175.2 | -77.7 | 73.7 | 0 | 0 | 0 | 111.7 | L573 K574 L575 I579 I580 E581 | L573-H577 VanDerWaalsContact CD2-CE1 3.45Å; L573-H577 WeakPolarHBondContact CD2-CE1 3.34Å; L573-H577 WeakPolarHBondContact CD2-ND1 3.46Å; L573-H577 PolarHBondContact O-N 3.42Å; L573-H577 PolarHBondContact O-ND1 3.38Å; K574-H577 PolarHBondContact O-N 2.93Å; L575-H577 VanDerWaalsContact C-N 3.35Å; L575-H577 PolarHBondContact O-N 2.97Å; H577-I579 VanDerWaalsContact C-N 3.29Å; H577-I579 PolarHBondContact O-N 2.83Å; H577-I580 PolarHBondContact O-N 3.39Å; H577-I580 VanDerWaalsContact O-N 3.13Å; H577-E581 WeakPolarHBondContact O-CB 3.5Å; H577-E581 WeakPolarHBondContact O-CG 3.49Å; H577-E581 PolarHBondContact O-N 2.93Å |
| 578 | L | 86.3 | Confident | 82.8 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 176.3 | -166.9 | 76.4 | 0 | 0 | 0 | 112 | K574 L575 E581 N582 | K574-L578 WeakPolarHBondContact O-CB 3.44Å; K574-L578 PolarHBondContact O-N 2.87Å; L575-L578 PolarHBondContact O-N 3.05Å; L578-E581 PolarHBondContact O-N 2.89Å; L578-N582 WeakPolarHBondContact O-CB 3.34Å; L578-N582 PolarHBondContact O-N 3.36Å; L578-N582 VanDerWaalsContact O-N 3.07Å; L578-N582 PolarHBondContact O-ND2 3.47Å |
| 579 | I | 85.3 | Confident | 83.1 | Confident | 81 Ų | 81 | 97.1 Ų | 97.1 | 42% | 0.415 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 174.8 | -67.8 | 164.9 | 0 | 0 | 0 | 110.8 | L575 K576 H577 E581 N582 F583 | L575-I579 HydrophobicContact CD1-CD1 4.24Å; L575-I579 HydrophobicContact CG-CD1 4.08Å; L575-I579 WeakPolarHBondContact O-CG1 3.4Å; L575-I579 PolarHBondContact O-N 3.45Å; K576-I579 PolarHBondContact O-N 3.23Å; H577-I579 VanDerWaalsContact C-N 3.29Å; H577-I579 PolarHBondContact O-N 2.83Å; I579-E581 VanDerWaalsContact C-N 3.29Å; I579-E581 PolarHBondContact O-N 3.08Å; I579-N582 PolarHBondContact O-N 2.97Å; I579-F583 HydrophobicContact CG2-CD2 4.42Å; I579-F583 WeakPolarHBondContact O-CB 3.19Å; I579-F583 PolarHBondContact O-N 2.88Å |
| 580 | I | 83.5 | Confident | 83.6 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 29% | 0.287 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 178.2 | -69.2 | 162.5 | 0 | 0 | 0 | 111.1 | K576 H577 I584 K589 | K576-I580 WeakPolarHBondContact O-CD1 3.5Å; K576-I580 VanDerWaalsContact O-CG1 3.22Å; K576-I580 WeakPolarHBondContact O-CG1 3.49Å; K576-I580 PolarHBondContact O-N 3.05Å; H577-I580 PolarHBondContact O-N 3.39Å; H577-I580 VanDerWaalsContact O-N 3.13Å; I580-I584 HydrophobicContact CB-CD1 4.31Å; I580-I584 HydrophobicContact CG1-CD1 3.93Å; I580-I584 HydrophobicContact CG2-CD1 4.37Å; I580-I584 WeakPolarHBondContact O-CB 3.33Å; I580-I584 PolarHBondContact O-N 2.83Å; I580-K589 HydrophobicContact CG2-CD 3.78Å; I580-K589 HydrophobicContact CG2-CG 4.24Å |
| 581 | E | 83.2 | Confident | 83.5 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77.6 | -32.4 | -176.4 | -71.8 | 177.2 | 171.7 | 0 | 0 | 114 | H577 L578 I579 K589 | H577-E581 WeakPolarHBondContact O-CB 3.5Å; H577-E581 WeakPolarHBondContact O-CG 3.49Å; H577-E581 PolarHBondContact O-N 2.93Å; L578-E581 PolarHBondContact O-N 2.89Å; I579-E581 VanDerWaalsContact C-N 3.29Å; I579-E581 PolarHBondContact O-N 3.08Å; E581-K589 IonicContact OE1-NZ 2.89Å |
| 582 | N | 84.3 | Confident | 83.6 | Confident | 111 Ų | 111 | 95.9 Ų | 95.9 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -95.6 | -25.2 | -177.5 | -69.5 | -82.4 | 0 | 0 | 0 | 114.1 | L578 I579 | L578-N582 WeakPolarHBondContact O-CB 3.34Å; L578-N582 PolarHBondContact O-N 3.36Å; L578-N582 VanDerWaalsContact O-N 3.07Å; L578-N582 PolarHBondContact O-ND2 3.47Å; I579-N582 PolarHBondContact O-N 2.97Å |
| 583 | F | 86.5 | Confident | 83.8 | Confident | 164 Ų | 164 | 98 Ų | 98 | 72% | 0.719 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -118.8 | -12.5 | -172.3 | -63.5 | -90.9 | 0 | 0 | 0 | 115.1 | I579 | I579-F583 HydrophobicContact CG2-CD2 4.42Å; I579-F583 WeakPolarHBondContact O-CB 3.19Å; I579-F583 PolarHBondContact O-N 2.88Å |
| 584 | I | 81.8 | Confident | 84 | Confident | 65 Ų | 65 | 100 Ų | 100 | 33% | 0.333 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -107.3 | 120 | 176.8 | -53.3 | -176.7 | 0 | 0 | 0 | 109.5 | I580 L586 E588 K589 | I580-I584 HydrophobicContact CB-CD1 4.31Å; I580-I584 HydrophobicContact CG1-CD1 3.93Å; I580-I584 HydrophobicContact CG2-CD1 4.37Å; I580-I584 WeakPolarHBondContact O-CB 3.33Å; I580-I584 PolarHBondContact O-N 2.83Å; I584-L586 PolarHBondContact O-N 2.95Å; I584-E588 HydrophobicContact CG2-CB 4.34Å; I584-K589 HydrophobicContact CG2-CB 4.42Å |
| 585 | P | 89.9 | Confident | 83.9 | Confident | 76 Ų | 76 | 96.9 Ų | 96.9 | 49% | 0.494 | 48% | 0.476 | S | S | . | . | trans | -54.3 | 138.7 | 174.7 | -27 | 35.4 | 0 | 0 | 0 | 112.3 | E587 E588 K589 | P585-E587 WeakPolarHBondContact CB-OE2 3.4Å; P585-E587 PolarHBondContact O-N 3.38Å; P585-E587 VanDerWaalsContact O-N 3.15Å; P585-E588 PolarHBondContact O-N 2.85Å; P585-K589 PolarHBondContact O-N 3.25Å | ||
| 586 | L | 80.2 | Confident | 84.1 | Confident | 113 Ų | 113 | 93.4 Ų | 93.4 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.5 | -32.7 | -176.3 | -71.7 | 167.1 | 0 | 0 | 0 | 112.1 | I584 N590 | I584-L586 PolarHBondContact O-N 2.95Å; L586-N590 VanDerWaalsContact O-CB 3.29Å; L586-N590 WeakPolarHBondContact O-CB 3.4Å; L586-N590 PolarHBondContact O-N 3.4Å; L586-N590 PolarHBondContact O-ND2 2.92Å |
| 587 | E | 82.3 | Confident | 84.3 | Confident | 122 Ų | 122 | 92.2 Ų | 92.2 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 176.8 | -58 | 76.5 | -169 | 0 | 0 | 111.9 | P585 K591 | P585-E587 WeakPolarHBondContact CB-OE2 3.4Å; P585-E587 PolarHBondContact O-N 3.38Å; P585-E587 VanDerWaalsContact O-N 3.15Å; E587-K591 WeakPolarHBondContact O-CB 3.27Å; E587-K591 WeakPolarHBondContact O-CD 3.35Å; E587-K591 WeakPolarHBondContact O-CG 3.41Å; E587-K591 PolarHBondContact O-N 3.38Å |
| 588 | E | 81 | Confident | 84.4 | Confident | 87 Ų | 87 | 92 Ų | 92 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.7 | -39.1 | 178.3 | -63.2 | -52.7 | 138.2 | 0 | 0 | 111.4 | I584 P585 N590 K591 I592 | I584-E588 HydrophobicContact CG2-CB 4.34Å; P585-E588 PolarHBondContact O-N 2.85Å; E588-N590 VanDerWaalsContact C-N 3.34Å; E588-N590 PolarHBondContact O-N 3.39Å; E588-K591 PolarHBondContact O-N 2.85Å; E588-K591 IonicContact OE1-NZ 2.75Å; E588-K591 PolarHBondContact OE1-NZ 3.47Å; E588-K591 WeakPolarHBondContact OE2-CD 3.33Å; E588-K591 IonicContact OE2-NZ 3.82Å; E588-I592 WeakPolarHBondContact O-CG1 3.33Å; E588-I592 PolarHBondContact O-N 3.06Å |
| 589 | K | 81.5 | Confident | 84.2 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 24% | 0.239 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -54.4 | -50.8 | 170.4 | -175.5 | 180 | -178.9 | 176.3 | 0 | 110.5 | I580 E581 I584 P585 I592 M593 | I580-K589 HydrophobicContact CG2-CD 3.78Å; I580-K589 HydrophobicContact CG2-CG 4.24Å; E581-K589 IonicContact OE1-NZ 2.89Å; I584-K589 HydrophobicContact CG2-CB 4.42Å; P585-K589 PolarHBondContact O-N 3.25Å; K589-I592 PolarHBondContact O-N 2.91Å; K589-M593 VanDerWaalsContact O-CG 3.31Å; K589-M593 WeakPolarHBondContact O-CG 3.42Å; K589-M593 PolarHBondContact O-N 3.32Å |
| 590 | N | 84.1 | Confident | 83.8 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | -179.9 | -69.4 | -19.1 | 0 | 0 | 0 | 112.8 | L586 E588 I592 M593 N594 | L586-N590 VanDerWaalsContact O-CB 3.29Å; L586-N590 WeakPolarHBondContact O-CB 3.4Å; L586-N590 PolarHBondContact O-N 3.4Å; L586-N590 PolarHBondContact O-ND2 2.92Å; E588-N590 VanDerWaalsContact C-N 3.34Å; E588-N590 PolarHBondContact O-N 3.39Å; N590-I592 VanDerWaalsContact C-N 3.32Å; N590-I592 PolarHBondContact O-N 2.88Å; N590-M593 PolarHBondContact O-N 2.83Å; N590-N594 VanDerWaalsContact O-CB 3.28Å; N590-N594 WeakPolarHBondContact O-CB 3.36Å; N590-N594 PolarHBondContact O-N 3.49Å; N590-N594 PolarHBondContact O-ND2 3.3Å |
| 591 | K | 82.5 | Confident | 82.8 | Confident | 107 Ų | 107 | 98.5 Ų | 98.5 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -36.4 | 173.4 | -76.2 | 165.4 | -168.3 | 173.6 | 0 | 112.8 | E587 E588 R595 | E587-K591 WeakPolarHBondContact O-CB 3.27Å; E587-K591 WeakPolarHBondContact O-CD 3.35Å; E587-K591 WeakPolarHBondContact O-CG 3.41Å; E587-K591 PolarHBondContact O-N 3.38Å; E588-K591 PolarHBondContact O-N 2.85Å; E588-K591 IonicContact OE1-NZ 2.75Å; E588-K591 PolarHBondContact OE1-NZ 3.47Å; E588-K591 WeakPolarHBondContact OE2-CD 3.33Å; E588-K591 IonicContact OE2-NZ 3.82Å; K591-R595 WeakPolarHBondContact O-CB 3.22Å; K591-R595 WeakPolarHBondContact O-CD 3.29Å; K591-R595 VanDerWaalsContact O-CG 3.27Å; K591-R595 WeakPolarHBondContact O-CG 3.35Å |
| 592 | I | 82.9 | Confident | 82 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.8 | -51.6 | 176.3 | -67.4 | 167.5 | 0 | 0 | 0 | 109.5 | E588 K589 N590 N594 R595 S596 L607 | E588-I592 WeakPolarHBondContact O-CG1 3.33Å; E588-I592 PolarHBondContact O-N 3.06Å; K589-I592 PolarHBondContact O-N 2.91Å; N590-I592 VanDerWaalsContact C-N 3.32Å; N590-I592 PolarHBondContact O-N 2.88Å; I592-N594 PolarHBondContact O-N 2.73Å; I592-R595 CarbonylContact O-C 3.51Å; I592-R595 PolarHBondContact O-N 2.89Å; I592-S596 PolarHBondContact O-N 3.18Å; I592-S596 PolarHBondContact O-OG 3.4Å; I592-L607 HydrophobicContact CG2-CD2 4.12Å |
| 593 | M | 82.3 | Confident | 81.4 | Confident | 111 Ų | 111 | 96 Ų | 96 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | -179.6 | -68.7 | -61.8 | -62.8 | 0 | 0 | 113 | K589 N590 R595 S596 | K589-M593 VanDerWaalsContact O-CG 3.31Å; K589-M593 WeakPolarHBondContact O-CG 3.42Å; K589-M593 PolarHBondContact O-N 3.32Å; N590-M593 PolarHBondContact O-N 2.83Å; M593-R595 PolarHBondContact O-N 3.27Å; M593-S596 WeakPolarHBondContact CA-OG 3.37Å; M593-S596 PolarHBondContact O-N 2.89Å; M593-S596 PolarHBondContact O-OG 3.31Å |
| 594 | N | 84.8 | Confident | 80.9 | Confident | 139 Ų | 139 | 93.9 Ų | 93.9 | 74% | 0.743 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.2 | 178.1 | -68.5 | -11 | 0 | 0 | 0 | 113.6 | N590 I592 | N590-N594 VanDerWaalsContact O-CB 3.28Å; N590-N594 WeakPolarHBondContact O-CB 3.36Å; N590-N594 PolarHBondContact O-N 3.49Å; N590-N594 PolarHBondContact O-ND2 3.3Å; I592-N594 PolarHBondContact O-N 2.73Å |
| 595 | R | 85.3 | Confident | 80.9 | Confident | 75 Ų | 75 | 99.2 Ų | 99.2 | 28% | 0.283 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -15.4 | 177.1 | -73.7 | 175.1 | 55.4 | -133.3 | -12.1 | 112.7 | K591 I592 M593 L607 H608 I610 | K591-R595 WeakPolarHBondContact O-CB 3.22Å; K591-R595 WeakPolarHBondContact O-CD 3.29Å; K591-R595 VanDerWaalsContact O-CG 3.27Å; K591-R595 WeakPolarHBondContact O-CG 3.35Å; I592-R595 CarbonylContact O-C 3.51Å; I592-R595 PolarHBondContact O-N 2.89Å; M593-R595 PolarHBondContact O-N 3.27Å; R595-L607 HydrophobicContact CB-CD2 4.08Å; R595-L607 CarbonylContact O-C 3.55Å; R595-L607 WeakPolarHBondContact O-CA 3.38Å; R595-H608 PolarHBondContact NE-O 3.36Å; R595-H608 VanDerWaalsContact NE-O 3.13Å; R595-H608 PolarHBondContact NH2-O 2.74Å; R595-H608 PolarHBondContact O-CD2 2.9Å; R595-H608 PolarHBondContact O-N 2.88Å; R595-I610 VanDerWaalsContact NH2-CG1 3.3Å |
| 596 | S | 89.3 | Confident | 80.6 | Confident | 27 Ų | 27 | 99 Ų | 99 | 19% | 0.189 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.7 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | I592 M593 K606 | I592-S596 PolarHBondContact O-N 3.18Å; I592-S596 PolarHBondContact O-OG 3.4Å; M593-S596 WeakPolarHBondContact CA-OG 3.37Å; M593-S596 PolarHBondContact O-N 2.89Å; M593-S596 PolarHBondContact O-OG 3.31Å; S596-K606 WeakPolarHBondContact CA-O 3.22Å |
| 597 | F | 88.6 | Confident | 80.8 | Confident | 71 Ų | 71 | 98 Ų | 98 | 31% | 0.311 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 150.4 | 166 | 66.9 | -83.8 | 0 | 0 | 0 | 108.8 | D599 W605 K606 H608 | F597-D599 HydrophobicContact CE2-CB 4.22Å; F597-W605 WeakPolarHBondContact O-CA 3.43Å; F597-K606 HydrophobicContact CD1-CB 4.42Å; F597-K606 WeakPolarHBondContact CD1-O 3.33Å; F597-K606 HydrophobicContact CE1-CB 3.8Å; F597-K606 HydrophobicContact CE2-CB 3.98Å; F597-K606 HydrophobicContact CE2-CD 4.48Å; F597-K606 HydrophobicContact CZ-CB 3.56Å; F597-K606 HydrophobicContact CZ-CD 4.33Å; F597-K606 PolarHBondContact N-O 2.84Å; F597-K606 PolarHBondContact O-N 3.13Å; F597-H608 AromaticContact CD1-CD2 3.74Å; F597-H608 AromaticContact CD1-CE1 3.4Å; F597-H608 VanDerWaalsContact CD1-CE1 3.4Å; F597-H608 WeakPolarHBondContact CD1-CE1 3.45Å; F597-H608 AromaticContact CD1-CG 3.95Å; F597-H608 AromaticContact CD1-ND1 3.75Å; F597-H608 AromaticContact CD1-NE2 3.4Å; F597-H608 WeakPolarHBondContact CD1-NE2 3.42Å; F597-H608 AromaticContact CE1-CE1 3.59Å; F597-H608 AromaticContact CE1-ND1 3.6Å |
| 598 | F | 86.1 | Confident | 80.7 | Confident | 87 Ų | 87 | 96.9 Ų | 96.9 | 38% | 0.382 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 126.7 | 171.3 | -170 | -106.4 | 0 | 0 | 0 | 108.7 | E600 D603 W605 | F598-E600 HydrophobicContact CD1-CG 4.06Å; F598-E600 HydrophobicContact CE1-CG 4.39Å; F598-D603 WeakPolarHBondContact CZ-OD1 3.5Å; F598-W605 HydrophobicContact CB-CD2 4.32Å; F598-W605 HydrophobicContact CB-CE3 4.21Å; F598-W605 HydrophobicContact CB-CH2 4.29Å; F598-W605 HydrophobicContact CB-CZ2 4.36Å; F598-W605 HydrophobicContact CB-CZ3 4.21Å; F598-W605 AromaticContact CD2-CD1 3.88Å; F598-W605 HydrophobicContact CD2-CD2 4.03Å; F598-W605 AromaticContact CD2-CE2 3.84Å; F598-W605 HydrophobicContact CD2-CG 4.08Å; F598-W605 HydrophobicContact CD2-CZ2 4.41Å; F598-W605 AromaticContact CD2-NE1 3.71Å |
| 599 | D | 83.9 | Confident | 80.2 | Confident | 31 Ų | 31 | 97.7 Ų | 97.7 | 17% | 0.166 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 104.6 | 175.5 | -170.3 | -40 | 0 | 0 | 0 | 108.7 | F597 E601 E602 D603 Q604 K606 | F597-D599 HydrophobicContact CE2-CB 4.22Å; D599-E601 VanDerWaalsContact C-N 3.25Å; D599-E601 PolarHBondContact O-N 2.93Å; D599-E601 PolarHBondContact OD1-N 3.18Å; D599-E602 PolarHBondContact O-N 3.4Å; D599-E602 PolarHBondContact OD1-N 2.87Å; D599-D603 WeakPolarHBondContact O-CA 3.46Å; D599-D603 PolarHBondContact O-N 2.92Å; D599-Q604 WeakPolarHBondContact CB-O 3.4Å; D599-Q604 PolarHBondContact N-O 3.4Å; D599-Q604 PolarHBondContact O-N 3.43Å; D599-K606 HydrophobicContact CB-CD 3.91Å; D599-K606 HydrophobicContact CB-CG 4.31Å; D599-K606 WeakPolarHBondContact OD2-CD 3.31Å; D599-K606 VanDerWaalsContact OD2-CE 3.28Å; D599-K606 WeakPolarHBondContact OD2-CE 3.28Å; D599-K606 IonicContact OD2-NZ 3.97Å; D599-K606 PolarHBondContact OD2-NZ 3.36Å |
| 600 | E | 76.8 | Confident | 79.5 | Confident | 176 Ų | 176 | 101.7 Ų | 101.7 | 82% | 0.822 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -19.1 | -178.2 | -66.6 | -173.9 | 177.1 | 0 | 0 | 113.6 | F598 | F598-E600 HydrophobicContact CD1-CG 4.06Å; F598-E600 HydrophobicContact CE1-CG 4.39Å |
| 601 | E | 61.7 | Low | 78.1 | Confident | 168 Ų | 168 | 103 Ų | 103 | 79% | 0.785 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -36.7 | 176.8 | -64.6 | -167.4 | 179.5 | 0 | 0 | 111.7 | D599 | D599-E601 VanDerWaalsContact C-N 3.25Å; D599-E601 PolarHBondContact O-N 2.93Å; D599-E601 PolarHBondContact OD1-N 3.18Å |
| 602 | E | 66.4 | Low | 76.7 | Confident | 49 Ų | 49 | 109.2 Ų | 109.2 | 23% | 0.229 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -1.1 | -175.8 | -61.7 | -60.2 | 154.7 | 0 | 0 | 114.3 | K167 D599 Q604 | K167-E602 IonicContact NZ-OE1 2.72Å; K167-E602 PolarHBondContact NZ-OE1 2.72Å; D599-E602 PolarHBondContact O-N 3.4Å; D599-E602 PolarHBondContact OD1-N 2.87Å; E602-Q604 VanDerWaalsContact C-N 3.32Å; E602-Q604 WeakPolarHBondContact O-CG 3.21Å; E602-Q604 PolarHBondContact O-N 3.26Å |
| 603 | D | 72.5 | Confident | 75.1 | Confident | 126 Ų | 126 | 112.9 Ų | 112.9 | 67% | 0.674 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 37.1 | 176.7 | -161.1 | 40.7 | 0 | 0 | 0 | 113.4 | F598 D599 | F598-D603 WeakPolarHBondContact CZ-OD1 3.5Å; D599-D603 WeakPolarHBondContact O-CA 3.46Å; D599-D603 PolarHBondContact O-N 2.92Å |
| 604 | Q | 74.9 | Confident | 73.3 | Confident | 119 Ų | 119 | 115 Ų | 115 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.3 | -172.5 | -72.4 | 179.5 | 22.9 | 0 | 0 | 113.3 | D599 E602 K606 | D599-Q604 WeakPolarHBondContact CB-O 3.4Å; D599-Q604 PolarHBondContact N-O 3.4Å; D599-Q604 PolarHBondContact O-N 3.43Å; E602-Q604 VanDerWaalsContact C-N 3.32Å; E602-Q604 WeakPolarHBondContact O-CG 3.21Å; E602-Q604 PolarHBondContact O-N 3.26Å; Q604-K606 PolarHBondContact O-N 2.79Å |
| 605 | W | 82.6 | Confident | 71.3 | Confident | 178 Ų | 178 | 115.6 Ų | 115.6 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.7 | 116.2 | 168.2 | -73.5 | 94.7 | 0 | 0 | 0 | 110.8 | F597 F598 | F597-W605 WeakPolarHBondContact O-CA 3.43Å; F598-W605 HydrophobicContact CB-CD2 4.32Å; F598-W605 HydrophobicContact CB-CE3 4.21Å; F598-W605 HydrophobicContact CB-CH2 4.29Å; F598-W605 HydrophobicContact CB-CZ2 4.36Å; F598-W605 HydrophobicContact CB-CZ3 4.21Å; F598-W605 AromaticContact CD2-CD1 3.88Å; F598-W605 HydrophobicContact CD2-CD2 4.03Å; F598-W605 AromaticContact CD2-CE2 3.84Å; F598-W605 HydrophobicContact CD2-CG 4.08Å; F598-W605 HydrophobicContact CD2-CZ2 4.41Å; F598-W605 AromaticContact CD2-NE1 3.71Å |
| 606 | K | 83.3 | Confident | 69.6 | Low | 72 Ų | 72 | 121.7 Ų | 121.7 | 31% | 0.313 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.9 | 177.1 | -67.4 | -178.4 | -173.6 | 170.9 | 0 | 110.3 | S596 F597 D599 Q604 | S596-K606 WeakPolarHBondContact CA-O 3.22Å; F597-K606 HydrophobicContact CD1-CB 4.42Å; F597-K606 WeakPolarHBondContact CD1-O 3.33Å; F597-K606 HydrophobicContact CE1-CB 3.8Å; F597-K606 HydrophobicContact CE2-CB 3.98Å; F597-K606 HydrophobicContact CE2-CD 4.48Å; F597-K606 HydrophobicContact CZ-CB 3.56Å; F597-K606 HydrophobicContact CZ-CD 4.33Å; F597-K606 PolarHBondContact N-O 2.84Å; F597-K606 PolarHBondContact O-N 3.13Å; D599-K606 HydrophobicContact CB-CD 3.91Å; D599-K606 HydrophobicContact CB-CG 4.31Å; D599-K606 WeakPolarHBondContact OD2-CD 3.31Å; D599-K606 VanDerWaalsContact OD2-CE 3.28Å; D599-K606 WeakPolarHBondContact OD2-CE 3.28Å; D599-K606 IonicContact OD2-NZ 3.97Å; D599-K606 PolarHBondContact OD2-NZ 3.36Å; Q604-K606 PolarHBondContact O-N 2.79Å |
| 607 | L | 84.1 | Confident | 67.6 | Low | 90 Ų | 90 | 128.4 Ų | 128.4 | 47% | 0.471 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.7 | 175.5 | -71 | 171.4 | 0 | 0 | 0 | 110.4 | I592 R595 | I592-L607 HydrophobicContact CG2-CD2 4.12Å; R595-L607 HydrophobicContact CB-CD2 4.08Å; R595-L607 CarbonylContact O-C 3.55Å; R595-L607 WeakPolarHBondContact O-CA 3.38Å |
| 608 | H | 80.8 | Confident | 65.7 | Low | 99 Ų | 99 | 133.8 Ų | 133.8 | 46% | 0.458 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 131.4 | 170.2 | -73.1 | -61.7 | 0 | 0 | 0 | 110.9 | R595 F597 | R595-H608 PolarHBondContact NE-O 3.36Å; R595-H608 VanDerWaalsContact NE-O 3.13Å; R595-H608 PolarHBondContact NH2-O 2.74Å; R595-H608 PolarHBondContact O-CD2 2.9Å; R595-H608 PolarHBondContact O-N 2.88Å; F597-H608 AromaticContact CD1-CD2 3.74Å; F597-H608 AromaticContact CD1-CE1 3.4Å; F597-H608 VanDerWaalsContact CD1-CE1 3.4Å; F597-H608 WeakPolarHBondContact CD1-CE1 3.45Å; F597-H608 AromaticContact CD1-CG 3.95Å; F597-H608 AromaticContact CD1-ND1 3.75Å; F597-H608 AromaticContact CD1-NE2 3.4Å; F597-H608 WeakPolarHBondContact CD1-NE2 3.42Å; F597-H608 AromaticContact CE1-CE1 3.59Å; F597-H608 AromaticContact CE1-ND1 3.6Å |
| 609 | P | 69.5 | Low | 64 | Low | 104 Ų | 104 | 138.4 Ų | 138.4 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 144.5 | 177 | -27.5 | 35.8 | 0 | 0 | 0 | 113 | T611 | P609-T611 PolarHBondContact O-N 2.87Š|
| 610 | I | 66.8 | Low | 62.5 | Low | 140 Ų | 140 | 146.7 Ų | 146.7 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | trans | -73.7 | -13.9 | -179.2 | -58.2 | 176.5 | 0 | 0 | 0 | 111.9 | R595 R612 | R595-I610 VanDerWaalsContact NH2-CG1 3.3Å; I610-R612 PolarHBondContact O-N 3.29Å | ||
| 611 | T | 56.2 | Low | 61.3 | Low | 111 Ų | 111 | 149 Ų | 149 | 68% | 0.681 | 71% | 0.709 | S | S | * | * | trans | -61.8 | 110.9 | -176.8 | 39 | 0 | 0 | 0 | 0 | 111.9 | P609 L613 | P609-T611 PolarHBondContact O-N 2.87Å; T611-L613 PolarHBondContact O-N 2.85Å; T611-L613 VanDerWaalsContact O-N 3.09Å | ||
| 612 | R | 51.8 | Low | 61 | Low | 239 Ų | 239 | 145.9 Ų | 145.9 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | trans | -51 | 114.7 | 154.3 | -74.5 | -179.6 | 172.3 | 175.3 | -4.2 | 107.9 | I610 D614 | I610-R612 PolarHBondContact O-N 3.29Å; R612-D614 PolarHBondContact O-N 2.86Å | ||
| 613 | L | 49.1 | Very low | 60.5 | Low | 158 Ų | 158 | 150 Ų | 150 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | 119.3 | 165.5 | -70 | 152.5 | 0 | 0 | 0 | 107.1 | T611 | T611-L613 PolarHBondContact O-N 2.85Å; T611-L613 VanDerWaalsContact O-N 3.09Å |
| 614 | D | 44.8 | Very low | 59.7 | Low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.1 | -4.4 | 150.8 | -84.8 | -4.2 | 0 | 0 | 0 | 114.8 | R612 | R612-D614 PolarHBondContact O-N 2.86Š|
| 615 | N | 42.7 | Very low | 58.7 | Low | 151 Ų | 151 | 144.6 Ų | 144.6 | 81% | 0.807 | 72% | 0.723 | S | S | * | * | trans | -142.9 | 113.9 | 168.7 | -97.4 | -60.3 | 0 | 0 | 0 | 113.8 | Q617 | N615-Q617 PolarHBondContact O-N 3.41Š| ||
| 616 | Q | 50.8 | Low | 57.6 | Low | 204 Ų | 204 | 140.6 Ų | 140.6 | 95% | 0.953 | 72% | 0.719 | S | S | * | * | trans | -75.2 | 58.6 | 173.2 | -72.2 | -173.9 | -16.4 | 0 | 0 | 112.7 | ||||
| 617 | Q | 47.2 | Very low | 56.6 | Low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | -130 | 97.9 | 159.6 | -74.7 | -168.4 | 0.3 | 0 | 0 | 109.8 | N615 M619 | N615-Q617 PolarHBondContact O-N 3.41Å; Q617-M619 PolarHBondContact O-N 3.37Å | ||
| 618 | M | 48.8 | Very low | 55.6 | Low | 185 Ų | 185 | 143.2 Ų | 143.2 | 91% | 0.911 | 75% | 0.749 | S | S | * | * | trans | -56.6 | 112 | 155.3 | -67.5 | 179.5 | 72.7 | 0 | 0 | 107.1 | K620 | M618-K620 PolarHBondContact O-N 2.84Š| ||
| 619 | M | 49.2 | Very low | 54.6 | Low | 184 Ų | 184 | 146.5 Ų | 146.5 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | trans | -56.4 | 100.9 | 176.8 | -74.4 | -104.9 | -83 | 0 | 0 | 109.2 | Q617 R621 | Q617-M619 PolarHBondContact O-N 3.37Å; M619-R621 PolarHBondContact O-N 3.42Å | ||
| 620 | K | 52.8 | Low | 54.4 | Low | 204 Ų | 204 | 147.1 Ų | 147.1 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.2 | 172.8 | -80.3 | -175.2 | 175.8 | 178.2 | 0 | 107.3 | M618 | M618-K620 PolarHBondContact O-N 2.84Š|
| 621 | R | 52.1 | Low | 54.2 | Low | 225 Ų | 225 | 144.3 Ų | 144.3 | 85% | 0.849 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.1 | 175.3 | -74.1 | -174.9 | 173 | -168.4 | -1 | 108.6 | M619 V623 | M619-R621 PolarHBondContact O-N 3.42Å; R621-V623 PolarHBondContact O-N 3.01Å; R621-V623 VanDerWaalsContact O-N 3.16Å |
| 622 | P | 55 | Low | 54.7 | Low | 103 Ų | 103 | 140.6 Ų | 140.6 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 120.7 | 179.2 | 24.2 | -32.8 | 0 | 0 | 0 | 109.6 | ||
| 623 | V | 56.8 | Low | 55.7 | Low | 136 Ų | 136 | 132.7 Ų | 132.7 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 143 | 174.1 | -81.2 | 0 | 0 | 0 | 0 | 110.2 | R621 | R621-V623 PolarHBondContact O-N 3.01Å; R621-V623 VanDerWaalsContact O-N 3.16Å |
| 624 | S | 54.5 | Low | 56.9 | Low | 25 Ų | 25 | 132.4 Ų | 132.4 | 18% | 0.175 | 69% | 0.693 | C | S | . | * | P | Polyproline II helix | trans | -70.6 | 139.3 | 174.3 | -158.9 | 0 | 0 | 0 | 0 | 110.2 | V626 Y628 R630 P631 | S624-V626 PolarHBondContact O-N 3.48Å; S624-V626 VanDerWaalsContact O-N 3.11Å; S624-Y628 WeakPolarHBondContact CB-O 3.17Å; S624-R630 VanDerWaalsContact CB-O 3.25Å; S624-R630 WeakPolarHBondContact CB-O 3.44Å; S624-R630 PolarHBondContact OG-O 2.94Å; S624-P631 WeakPolarHBondContact OG-CA 3.37Å |
| 625 | A | 54.9 | Low | 58.5 | Low | 106 Ų | 106 | 131 Ų | 131 | 88% | 0.876 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -67.2 | -9.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 626 | V | 59.4 | Low | 59.9 | Low | 94 Ų | 94 | 124.3 Ų | 124.3 | 57% | 0.57 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -144.6 | 79.9 | -175.2 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | S624 Y628 | S624-V626 PolarHBondContact O-N 3.48Å; S624-V626 VanDerWaalsContact O-N 3.11Å; V626-Y628 WeakPolarHBondContact O-CD2 3.45Å; V626-Y628 PolarHBondContact O-N 3.44Å |
| 627 | G | 61.7 | Low | 60.9 | Low | 89 Ų | 89 | 120.2 Ų | 120.2 | 92% | 0.918 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 66.2 | -22.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 628 | Y | 62.7 | Low | 62.2 | Low | 128 Ų | 128 | 115.8 Ų | 115.8 | 50% | 0.502 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -83.8 | 151 | -178.6 | -65.6 | -73.5 | 0 | 0 | 0 | 112.2 | S624 V626 R630 A650 | S624-Y628 WeakPolarHBondContact CB-O 3.17Å; V626-Y628 WeakPolarHBondContact O-CD2 3.45Å; V626-Y628 PolarHBondContact O-N 3.44Å; Y628-R630 PolarHBondContact O-N 3.49Å; Y628-R630 VanDerWaalsContact O-N 3.08Å; Y628-A650 HydrophobicContact CD1-CB 3.66Å; Y628-A650 HydrophobicContact CE1-CB 4.33Å; Y628-A650 HydrophobicContact CG-CB 4.13Å |
| 629 | K | 60 | Low | 63.6 | Low | 168 Ų | 168 | 108.1 Ų | 108.1 | 73% | 0.73 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -68.1 | -6.7 | 179 | -64.2 | 174.7 | -169.2 | 143.3 | 0 | 114.3 | E651 | K629-E651 IonicContact NZ-OE1 3.17Å; K629-E651 PolarHBondContact NZ-OE1 3.44Å |
| 630 | R | 64.8 | Low | 64.7 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -144.8 | 149.6 | 179.4 | -63.5 | -176.6 | -179.2 | -177.4 | 1 | 111.6 | S624 Y628 N652 | S624-R630 VanDerWaalsContact CB-O 3.25Å; S624-R630 WeakPolarHBondContact CB-O 3.44Å; S624-R630 PolarHBondContact OG-O 2.94Å; Y628-R630 PolarHBondContact O-N 3.49Å; Y628-R630 VanDerWaalsContact O-N 3.08Å; R630-N652 PolarHBondContact NH1-ND2 2.62Å; R630-N652 VanDerWaalsContact NH1-ND2 3.15Å; R630-N652 PolarHBondContact NH1-OD1 3.12Å |
| 631 | P | 63.6 | Low | 65.5 | Low | 82 Ų | 82 | 101 Ų | 101 | 53% | 0.532 | 54% | 0.542 | S | S | . | . | trans | -63.5 | 135.3 | 170.8 | -20.8 | 33.3 | 0 | 0 | 0 | 112.1 | S624 | S624-P631 WeakPolarHBondContact OG-CA 3.37Š| ||
| 632 | L | 66 | Low | 66.6 | Low | 32 Ų | 32 | 96.7 Ų | 96.7 | 17% | 0.168 | 54% | 0.535 | C | S | . | . | trans | -122.2 | 135.8 | 175.4 | -77.1 | 178.3 | 0 | 0 | 0 | 111.7 | A636 R637 M640 A650 | L632-A636 HydrophobicContact CD2-CB 4.38Å; L632-R637 HydrophobicContact CB-CG 4.32Å; L632-R637 PolarHBondContact O-NE 2.97Å; L632-R637 PolarHBondContact O-NH2 3.34Å; L632-M640 HydrophobicContact CD1-SD 4.46Å; L632-A650 HydrophobicContact CD1-CB 3.79Å; L632-A650 HydrophobicContact CG-CB 4.48Å | ||
| 633 | S | 73.5 | Confident | 67.1 | Low | 74 Ų | 74 | 99.7 Ų | 99.7 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | trans | -64.5 | 156.8 | 172.3 | 71.8 | 0 | 0 | 0 | 0 | 111.2 | H635 A636 R637 | S633-H635 VanDerWaalsContact C-N 3.31Å; S633-H635 PolarHBondContact O-N 3.3Å; S633-A636 PolarHBondContact O-N 2.95Å; S633-A636 WeakPolarHBondContact OG-CB 3.27Å; S633-A636 PolarHBondContact OG-N 3.28Å; S633-R637 PolarHBondContact O-N 3.38Å | ||
| 634 | Q | 74.3 | Confident | 67.4 | Low | 152 Ų | 152 | 97.9 Ų | 97.9 | 71% | 0.71 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -37.4 | 178.4 | -169.7 | 171 | -1.3 | 0 | 0 | 111.5 | A636 R637 T638 | Q634-A636 PolarHBondContact O-N 2.83Å; Q634-R637 PolarHBondContact O-N 2.91Å; Q634-T638 PolarHBondContact O-N 3.47Å; Q634-T638 VanDerWaalsContact O-N 3.08Å; Q634-T638 PolarHBondContact O-OG1 3.3Å |
| 635 | H | 77.6 | Confident | 67.9 | Low | 127 Ų | 127 | 100.1 Ų | 100.1 | 59% | 0.588 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.7 | -46.7 | 174.2 | -178.7 | 82.4 | 0 | 0 | 0 | 112.3 | S633 R637 T638 S639 | S633-H635 VanDerWaalsContact C-N 3.31Å; S633-H635 PolarHBondContact O-N 3.3Å; H635-R637 VanDerWaalsContact C-N 3.29Å; H635-R637 PolarHBondContact O-N 3.36Å; H635-T638 PolarHBondContact O-N 2.96Å; H635-S639 PolarHBondContact O-N 3.48Å; H635-S639 PolarHBondContact O-OG 2.94Å |
| 636 | A | 71.6 | Confident | 68.4 | Low | 9 Ų | 9 | 98.4 Ų | 98.4 | 7% | 0.074 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L632 S633 Q634 M640 Y648 | L632-A636 HydrophobicContact CD2-CB 4.38Å; S633-A636 PolarHBondContact O-N 2.95Å; S633-A636 WeakPolarHBondContact OG-CB 3.27Å; S633-A636 PolarHBondContact OG-N 3.28Å; Q634-A636 PolarHBondContact O-N 2.83Å; A636-M640 WeakPolarHBondContact O-CG 3.23Å; A636-M640 PolarHBondContact O-N 2.96Å; A636-Y648 HydrophobicContact CB-CD1 4.2Å |
| 637 | R | 71.9 | Confident | 68.7 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 45% | 0.445 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 176.2 | -73.2 | 180 | -107.7 | 170 | -8.1 | 112.4 | L632 S633 Q634 H635 M640 M641 | L632-R637 HydrophobicContact CB-CG 4.32Å; L632-R637 PolarHBondContact O-NE 2.97Å; L632-R637 PolarHBondContact O-NH2 3.34Å; S633-R637 PolarHBondContact O-N 3.38Å; Q634-R637 PolarHBondContact O-N 2.91Å; H635-R637 VanDerWaalsContact C-N 3.29Å; H635-R637 PolarHBondContact O-N 3.36Å; R637-M640 PolarHBondContact O-N 2.99Å; R637-M641 PolarHBondContact O-N 3.45Å |
| 638 | T | 75.8 | Confident | 69 | Low | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.5 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | Q634 H635 M640 M641 I642 | Q634-T638 PolarHBondContact O-N 3.47Å; Q634-T638 VanDerWaalsContact O-N 3.08Å; Q634-T638 PolarHBondContact O-OG1 3.3Å; H635-T638 PolarHBondContact O-N 2.96Å; T638-M640 PolarHBondContact O-N 3.37Å; T638-M641 PolarHBondContact O-N 3.44Å; T638-I642 HydrophobicContact CG2-CD1 4.03Å; T638-I642 PolarHBondContact O-N 3.25Å |
| 639 | S | 77.6 | Confident | 69.1 | Low | 25 Ų | 25 | 99.4 Ų | 99.4 | 18% | 0.175 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | H635 M641 I642 R643 | H635-S639 PolarHBondContact O-N 3.48Å; H635-S639 PolarHBondContact O-OG 2.94Å; S639-M641 VanDerWaalsContact C-N 3.26Å; S639-M641 PolarHBondContact O-N 2.93Å; S639-I642 PolarHBondContact O-N 3.24Å; S639-I642 VanDerWaalsContact O-N 3.12Å; S639-R643 CarbonylContact O-C 3.58Å; S639-R643 PolarHBondContact O-N 3.49Å |
| 640 | M | 71.9 | Confident | 69.2 | Low | 63 Ų | 63 | 91.9 Ų | 91.9 | 31% | 0.31 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.9 | -34.2 | 175.6 | -79.6 | -174.4 | 72.9 | 0 | 0 | 113.8 | L632 A636 R637 T638 Y648 R649 | L632-M640 HydrophobicContact CD1-SD 4.46Å; A636-M640 WeakPolarHBondContact O-CG 3.23Å; A636-M640 PolarHBondContact O-N 2.96Å; R637-M640 PolarHBondContact O-N 2.99Å; T638-M640 PolarHBondContact O-N 3.37Å; M640-Y648 WeakPolarHBondContact CG-O 3.47Å; M640-R649 HydrophobicContact CE-CG 4.49Å |
| 641 | M | 69.9 | Low | 69.2 | Low | 174 Ų | 174 | 90.3 Ų | 90.3 | 86% | 0.857 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -75.1 | -25.5 | 178.6 | -70.3 | -179.6 | 168.3 | 0 | 0 | 113.2 | R637 T638 S639 | R637-M641 PolarHBondContact O-N 3.45Å; T638-M641 PolarHBondContact O-N 3.44Å; S639-M641 VanDerWaalsContact C-N 3.26Å; S639-M641 PolarHBondContact O-N 2.93Å |
| 642 | I | 74.9 | Confident | 68.9 | Low | 135 Ų | 135 | 92.5 Ų | 92.5 | 69% | 0.692 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -95.6 | -38.9 | -177.4 | -61.4 | 170 | 0 | 0 | 0 | 111.1 | T638 S639 | T638-I642 HydrophobicContact CG2-CD1 4.03Å; T638-I642 PolarHBondContact O-N 3.25Å; S639-I642 PolarHBondContact O-N 3.24Å; S639-I642 VanDerWaalsContact O-N 3.12Å |
| 643 | R | 66.3 | Low | 68.6 | Low | 167 Ų | 167 | 95.9 Ų | 95.9 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | trans | -145.1 | 122.2 | 173.5 | -84.9 | -170.6 | 177.6 | 172 | 0.8 | 111.2 | S639 E645 | S639-R643 CarbonylContact O-C 3.58Å; S639-R643 PolarHBondContact O-N 3.49Å; R643-E645 HydrophobicContact CB-CG 4.26Å; R643-E645 WeakPolarHBondContact CD-OE1 3.21Å; R643-E645 IonicContact NH1-OE1 3.29Å; R643-E645 PolarHBondContact O-N 3.39Å | ||
| 644 | P | 63.3 | Low | 67.7 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | trans | -78.7 | 44.8 | -179.4 | 33.5 | -36.7 | 0 | 0 | 0 | 113.7 | R649 | P644-R649 PolarHBondContact O-NH2 3.29Š| ||
| 645 | E | 65.1 | Low | 66.7 | Low | 72 Ų | 72 | 96.5 Ų | 96.5 | 34% | 0.336 | 48% | 0.48 | S | S | . | . | trans | -62.4 | 135.3 | 176.8 | -73.4 | 174.7 | -157.8 | 0 | 0 | 111.3 | R643 R647 Y648 | R643-E645 HydrophobicContact CB-CG 4.26Å; R643-E645 WeakPolarHBondContact CD-OE1 3.21Å; R643-E645 IonicContact NH1-OE1 3.29Å; R643-E645 PolarHBondContact O-N 3.39Å; E645-R647 HydrophobicContact CB-CG 4.19Å; E645-R647 PolarHBondContact O-N 3.02Å; E645-Y648 HydrophobicContact CB-CD2 4.1Å; E645-Y648 HydrophobicContact CB-CE2 4.44Å; E645-Y648 PolarHBondContact O-N 2.94Å; E645-Y648 VanDerWaalsContact O-N 3.14Å | ||
| 646 | A | 64.4 | Low | 65.6 | Low | 71 Ų | 71 | 97.1 Ų | 97.1 | 59% | 0.587 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -55.5 | -31.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y648 R649 | A646-Y648 PolarHBondContact O-N 3.34Å; A646-R649 PolarHBondContact O-N 2.99Å |
| 647 | R | 65.2 | Low | 64.6 | Low | 188 Ų | 188 | 105.4 Ų | 105.4 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -63.5 | -17.2 | -178.9 | 72.4 | -176.8 | -64.3 | -174 | 3.5 | 115.3 | E645 | E645-R647 HydrophobicContact CB-CG 4.19Å; E645-R647 PolarHBondContact O-N 3.02Å |
| 648 | Y | 68 | Low | 63.5 | Low | 47 Ų | 47 | 106.8 Ų | 106.8 | 18% | 0.184 | 54% | 0.539 | C | S | . | . | G | 310 helix | trans | -107.6 | -3.2 | -178.5 | -59.3 | -64 | 0 | 0 | 0 | 113.5 | A636 M640 E645 A646 | A636-Y648 HydrophobicContact CB-CD1 4.2Å; M640-Y648 WeakPolarHBondContact CG-O 3.47Å; E645-Y648 HydrophobicContact CB-CD2 4.1Å; E645-Y648 HydrophobicContact CB-CE2 4.44Å; E645-Y648 PolarHBondContact O-N 2.94Å; E645-Y648 VanDerWaalsContact O-N 3.14Å; A646-Y648 PolarHBondContact O-N 3.34Å |
| 649 | R | 66.4 | Low | 62.3 | Low | 96 Ų | 96 | 110.7 Ų | 110.7 | 36% | 0.362 | 56% | 0.557 | S | S | . | * | trans | -67.9 | 147.2 | -176.9 | -64.7 | -175.3 | -178.5 | -168.4 | 0 | 112.2 | M640 P644 A646 E651 | M640-R649 HydrophobicContact CE-CG 4.49Å; P644-R649 PolarHBondContact O-NH2 3.29Å; A646-R649 PolarHBondContact O-N 2.99Å; R649-E651 VanDerWaalsContact C-N 3.25Å; R649-E651 PolarHBondContact O-N 2.96Å | ||
| 650 | A | 62.2 | Low | 60.8 | Low | 11 Ų | 11 | 116.8 Ų | 116.8 | 9% | 0.091 | 59% | 0.585 | C | S | . | * | S | Bend | trans | -66.1 | -25.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y628 L632 | Y628-A650 HydrophobicContact CD1-CB 3.66Å; Y628-A650 HydrophobicContact CE1-CB 4.33Å; Y628-A650 HydrophobicContact CG-CB 4.13Å; L632-A650 HydrophobicContact CD1-CB 3.79Å; L632-A650 HydrophobicContact CG-CB 4.48Å |
| 651 | E | 63.3 | Low | 59.9 | Low | 82 Ų | 82 | 118.4 Ų | 118.4 | 38% | 0.383 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -116.7 | 132 | -174.8 | -55.5 | -162 | 139.3 | 0 | 0 | 109.9 | K629 R649 I653 | K629-E651 IonicContact NZ-OE1 3.17Å; K629-E651 PolarHBondContact NZ-OE1 3.44Å; R649-E651 VanDerWaalsContact C-N 3.25Å; R649-E651 PolarHBondContact O-N 2.96Å; E651-I653 HydrophobicContact CB-CD1 4.32Å; E651-I653 HydrophobicContact CB-CG1 4.21Å; E651-I653 PolarHBondContact O-N 3.3Å |
| 652 | N | 57.6 | Low | 59.2 | Low | 128 Ų | 128 | 115.3 Ų | 115.3 | 68% | 0.684 | 60% | 0.595 | S | S | * | * | trans | -77.7 | 48.5 | 175.6 | -69.3 | 17.9 | 0 | 0 | 0 | 111 | R630 | R630-N652 PolarHBondContact NH1-ND2 2.62Å; R630-N652 VanDerWaalsContact NH1-ND2 3.15Å; R630-N652 PolarHBondContact NH1-OD1 3.12Å | ||
| 653 | I | 59.1 | Low | 58.1 | Low | 103 Ų | 103 | 119.3 Ų | 119.3 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | trans | -105 | 106 | 175.8 | -58.4 | 177.5 | 0 | 0 | 0 | 106.7 | E651 L655 | E651-I653 HydrophobicContact CB-CD1 4.32Å; E651-I653 HydrophobicContact CB-CG1 4.21Å; E651-I653 PolarHBondContact O-N 3.3Å; I653-L655 HydrophobicContact CG2-CG 4.49Å; I653-L655 PolarHBondContact O-N 3.28Å; I653-L655 VanDerWaalsContact O-N 3.14Å | ||
| 654 | V | 55.1 | Low | 57.5 | Low | 112 Ų | 112 | 117.1 Ų | 117.1 | 68% | 0.679 | 61% | 0.607 | S | S | * | * | trans | -76.3 | 98.5 | 169.5 | -171.6 | 0 | 0 | 0 | 0 | 106.9 | L656 | V654-L656 VanDerWaalsContact C-N 3.26Å; V654-L656 HydrophobicContact CG1-CD2 3.85Å; V654-L656 HydrophobicContact CG1-CG 3.92Å; V654-L656 PolarHBondContact O-N 3.2Å | ||
| 655 | L | 53.7 | Low | 57 | Low | 128 Ų | 128 | 117.7 Ų | 117.7 | 67% | 0.67 | 61% | 0.609 | S | S | * | * | trans | -70.4 | 90.5 | 165 | -87.1 | 147.9 | 0 | 0 | 0 | 107.6 | I653 E657 | I653-L655 HydrophobicContact CG2-CG 4.49Å; I653-L655 PolarHBondContact O-N 3.28Å; I653-L655 VanDerWaalsContact O-N 3.14Å; L655-E657 PolarHBondContact O-N 2.87Å | ||
| 656 | L | 53.9 | Low | 56.6 | Low | 140 Ų | 140 | 123.8 Ų | 123.8 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | trans | -75.2 | 97.3 | 162.1 | -65 | 173.2 | 0 | 0 | 0 | 106.8 | V654 L658 | V654-L656 VanDerWaalsContact C-N 3.26Å; V654-L656 HydrophobicContact CG1-CD2 3.85Å; V654-L656 HydrophobicContact CG1-CG 3.92Å; V654-L656 PolarHBondContact O-N 3.2Å; L656-L658 PolarHBondContact O-N 3.13Å; L656-L658 VanDerWaalsContact O-N 3.08Å | ||
| 657 | E | 52.1 | Low | 56.4 | Low | 183 Ų | 183 | 126.9 Ų | 126.9 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | trans | -63.7 | 108.1 | 157.9 | -74.3 | 178.9 | 171 | 0 | 0 | 106.5 | L655 D659 | L655-E657 PolarHBondContact O-N 2.87Å; E657-D659 PolarHBondContact O-N 2.83Å | ||
| 658 | L | 48.6 | Very low | 55.8 | Low | 146 Ų | 146 | 127.5 Ų | 127.5 | 76% | 0.764 | 64% | 0.639 | S | S | * | * | trans | -71 | 87.4 | 174.2 | -93 | 156.2 | 0 | 0 | 0 | 107.9 | L656 M660 | L656-L658 PolarHBondContact O-N 3.13Å; L656-L658 VanDerWaalsContact O-N 3.08Å; L658-M660 VanDerWaalsContact C-N 3.31Å; L658-M660 PolarHBondContact O-N 3.07Å | ||
| 659 | D | 50 | Low | 55.2 | Low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | trans | -65.2 | 95.1 | 167.5 | -155.5 | 17.7 | 0 | 0 | 0 | 107.3 | E657 P661 | E657-D659 PolarHBondContact O-N 2.83Å; D659-P661 WeakPolarHBondContact O-CD 3.49Å | ||
| 660 | M | 47 | Very low | 55 | Low | 154 Ų | 154 | 129.7 Ų | 129.7 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | trans | -68 | 112.4 | -171.7 | -77.6 | -72 | -70.9 | 0 | 0 | 109.4 | L658 | L658-M660 VanDerWaalsContact C-N 3.31Å; L658-M660 PolarHBondContact O-N 3.07Å | ||
| 661 | P | 52.5 | Low | 54.9 | Low | 97 Ų | 97 | 134 Ų | 134 | 63% | 0.63 | 69% | 0.693 | S | S | * | * | trans | -66.1 | 142.9 | -179.5 | -16.5 | 30.7 | 0 | 0 | 0 | 110.2 | D659 R663 | D659-P661 WeakPolarHBondContact O-CD 3.49Å; P661-R663 PolarHBondContact O-N 3.49Å | ||
| 662 | S | 55.8 | Low | 54.8 | Low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -57.7 | 125.1 | 158.1 | 43.3 | 0 | 0 | 0 | 0 | 108.2 | T664 | S662-T664 VanDerWaalsContact O-CG2 3.32Å; S662-T664 WeakPolarHBondContact O-CG2 3.4Å; S662-T664 PolarHBondContact O-N 3.48Å |
| 663 | R | 51.5 | Low | 54.8 | Low | 218 Ų | 218 | 133.2 Ų | 133.2 | 82% | 0.823 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -35.4 | 106 | -167.9 | -178.3 | -175.3 | 175.2 | -168.3 | -0.6 | 114.2 | P661 | P661-R663 PolarHBondContact O-N 3.49Š|
| 664 | T | 53.5 | Low | 55 | Low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 70% | 0.702 | S | S | * | * | trans | -124.9 | 29.1 | 177.3 | 46 | 0 | 0 | 0 | 0 | 113.5 | S662 | S662-T664 VanDerWaalsContact O-CG2 3.32Å; S662-T664 WeakPolarHBondContact O-CG2 3.4Å; S662-T664 PolarHBondContact O-N 3.48Å | ||
| 665 | T | 53.2 | Low | 55.5 | Low | 110 Ų | 110 | 131 Ų | 131 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 118.9 | 170.1 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 666 | R | 54.7 | Low | 55.6 | Low | 200 Ų | 200 | 133.7 Ų | 133.7 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -73 | 145.1 | 150.9 | 178.4 | 176.7 | 169.3 | -179.2 | -6.5 | 107.5 | E669 | R666-E669 IonicContact CZ-OE1 3.17Å; R666-E669 IonicContact NE-OE1 2.75Å; R666-E669 IonicContact NH2-OE1 3.93Å; R666-E669 PolarHBondContact NH2-OE1 3.22Å; R666-E669 IonicContact NH2-OE2 3.39Å |
| 667 | D | 60.4 | Low | 55.9 | Low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.4 | -179 | -61.6 | -53.8 | 0 | 0 | 0 | 112 | E669 | D667-E669 PolarHBondContact O-N 3.02Å; D667-E669 VanDerWaalsContact O-N 3.12Å |
| 668 | Y | 53.3 | Low | 56.6 | Low | 200 Ų | 200 | 126.3 Ų | 126.3 | 78% | 0.784 | 68% | 0.677 | S | S | * | * | trans | -77.4 | 97.1 | -174.7 | 177 | -103.5 | 0 | 0 | 0 | 111.3 | G670 P671 | Y668-G670 VanDerWaalsContact CE1-CA 3.41Å; Y668-G670 PolarHBondContact O-N 3.15Å; Y668-P671 VanDerWaalsContact OH-CD 3.27Å; Y668-P671 WeakPolarHBondContact OH-CD 3.43Å | ||
| 669 | E | 54.6 | Low | 57.5 | Low | 149 Ų | 149 | 121.9 Ų | 121.9 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | trans | -74.2 | 102.4 | 157.3 | -69.9 | 167.8 | -138.4 | 0 | 0 | 107.6 | R666 D667 | R666-E669 IonicContact CZ-OE1 3.17Å; R666-E669 IonicContact NE-OE1 2.75Å; R666-E669 IonicContact NH2-OE1 3.93Å; R666-E669 PolarHBondContact NH2-OE1 3.22Å; R666-E669 IonicContact NH2-OE2 3.39Å; D667-E669 PolarHBondContact O-N 3.02Å; D667-E669 VanDerWaalsContact O-N 3.12Å | ||
| 670 | G | 63 | Low | 58.1 | Low | 40 Ų | 40 | 117.3 Ų | 117.3 | 41% | 0.412 | 65% | 0.646 | S | S | . | * | trans | -63.8 | 158.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y668 A672 | Y668-G670 VanDerWaalsContact CE1-CA 3.41Å; Y668-G670 PolarHBondContact O-N 3.15Å; G670-A672 PolarHBondContact O-N 2.91Å | ||
| 671 | P | 59.8 | Low | 58.6 | Low | 102 Ų | 102 | 114.7 Ų | 114.7 | 66% | 0.662 | 63% | 0.634 | S | S | * | * | trans | -59.1 | 130.6 | 176.1 | 26.7 | -33.7 | 0 | 0 | 0 | 109.3 | Y668 I673 | Y668-P671 VanDerWaalsContact OH-CD 3.27Å; Y668-P671 WeakPolarHBondContact OH-CD 3.43Å; P671-I673 PolarHBondContact O-N 2.9Å | ||
| 672 | A | 60.6 | Low | 59.3 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 84% | 0.835 | 63% | 0.629 | S | S | * | * | trans | -57.2 | 107.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G670 A674 | G670-A672 PolarHBondContact O-N 2.91Å; A672-A674 PolarHBondContact O-N 3.27Å | ||
| 673 | I | 58.8 | Low | 59.7 | Low | 92 Ų | 92 | 113.5 Ų | 113.5 | 47% | 0.472 | 62% | 0.62 | S | S | . | * | trans | -58.2 | 126.4 | 176.3 | -60.1 | 175.6 | 0 | 0 | 0 | 106.3 | P671 V677 Q678 | P671-I673 PolarHBondContact O-N 2.9Å; I673-V677 HydrophobicContact CG2-CB 3.78Å; I673-V677 HydrophobicContact CG2-CG1 3.82Å; I673-Q678 HydrophobicContact CB-CB 4.36Å; I673-Q678 HydrophobicContact CG2-CB 3.9Å | ||
| 674 | A | 63.4 | Low | 59.9 | Low | 56 Ų | 56 | 106.7 Ų | 106.7 | 46% | 0.463 | 61% | 0.61 | S | S | . | * | trans | -53.8 | 131.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A672 K676 V677 Q678 | A672-A674 PolarHBondContact O-N 3.27Å; A674-K676 PolarHBondContact O-N 3.1Å; A674-V677 HydrophobicContact CB-CG2 4.29Å; A674-V677 WeakPolarHBondContact O-CA 3.29Å; A674-V677 WeakPolarHBondContact O-CB 3.44Å; A674-V677 PolarHBondContact O-N 2.89Å; A674-Q678 PolarHBondContact O-N 2.63Å; A674-Q678 VanDerWaalsContact O-N 3.15Å | ||
| 675 | P | 64.5 | Low | 60 | Low | 112 Ų | 112 | 106 Ų | 106 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -54.7 | -28.3 | -169.5 | -31.5 | 35.7 | 0 | 0 | 0 | 114.7 | A679 | P675-A679 WeakPolarHBondContact O-CB 3.47Å; P675-A679 PolarHBondContact O-N 2.97Å |
| 676 | K | 57.1 | Low | 60.1 | Low | 185 Ų | 185 | 108.1 Ų | 108.1 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.9 | -37.3 | 171.9 | -74.7 | -174.8 | 172.2 | -177.3 | 0 | 114.3 | A674 A680 | A674-K676 PolarHBondContact O-N 3.1Å; K676-A680 WeakPolarHBondContact O-CB 3.18Å; K676-A680 PolarHBondContact O-N 2.89Å |
| 677 | V | 60.2 | Low | 60 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.5 | -38 | 178.2 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | I673 A674 A680 L681 | I673-V677 HydrophobicContact CG2-CB 3.78Å; I673-V677 HydrophobicContact CG2-CG1 3.82Å; A674-V677 HydrophobicContact CB-CG2 4.29Å; A674-V677 WeakPolarHBondContact O-CA 3.29Å; A674-V677 WeakPolarHBondContact O-CB 3.44Å; A674-V677 PolarHBondContact O-N 2.89Å; V677-A680 PolarHBondContact O-N 2.89Å; V677-L681 HydrophobicContact CG1-CD1 4.19Å; V677-L681 WeakPolarHBondContact O-CD1 3.18Å; V677-L681 PolarHBondContact O-N 2.87Å |
| 678 | Q | 67.3 | Low | 59.4 | Low | 90 Ų | 90 | 107.1 Ų | 107.1 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.7 | -46.9 | 174.2 | -171.3 | 165.8 | -10.2 | 0 | 0 | 111.4 | I673 A674 A680 L681 E682 | I673-Q678 HydrophobicContact CB-CB 4.36Å; I673-Q678 HydrophobicContact CG2-CB 3.9Å; A674-Q678 PolarHBondContact O-N 2.63Å; A674-Q678 VanDerWaalsContact O-N 3.15Å; Q678-A680 VanDerWaalsContact C-N 3.29Å; Q678-A680 PolarHBondContact O-N 3.15Å; Q678-L681 VanDerWaalsContact O-N 3.14Å; Q678-L681 PolarHBondContact O-N 3.19Å; Q678-E682 PolarHBondContact O-N 3.04Å |
| 679 | A | 65.9 | Low | 58.8 | Low | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.3 | -32.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | P675 A683 | P675-A679 WeakPolarHBondContact O-CB 3.47Å; P675-A679 PolarHBondContact O-N 2.97Å; A679-A683 WeakPolarHBondContact O-CB 3.48Å; A679-A683 PolarHBondContact O-N 2.81Å |
| 680 | A | 62.8 | Low | 58.1 | Low | 60 Ų | 60 | 105.4 Ų | 105.4 | 50% | 0.496 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.8 | -34.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K676 V677 Q678 A684 | K676-A680 WeakPolarHBondContact O-CB 3.18Å; K676-A680 PolarHBondContact O-N 2.89Å; V677-A680 PolarHBondContact O-N 2.89Å; Q678-A680 VanDerWaalsContact C-N 3.29Å; Q678-A680 PolarHBondContact O-N 3.15Å; A680-A684 WeakPolarHBondContact O-CB 3.49Å; A680-A684 PolarHBondContact O-N 2.88Å; A680-A684 VanDerWaalsContact O-N 3.13Å |
| 681 | L | 58.7 | Low | 57 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 52% | 0.518 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.9 | -47.5 | 170.3 | -105.6 | 92.3 | 0 | 0 | 0 | 111.2 | V677 Q678 A684 L685 | V677-L681 HydrophobicContact CG1-CD1 4.19Å; V677-L681 WeakPolarHBondContact O-CD1 3.18Å; V677-L681 PolarHBondContact O-N 2.87Å; Q678-L681 VanDerWaalsContact O-N 3.14Å; Q678-L681 PolarHBondContact O-N 3.19Å; L681-A684 VanDerWaalsContact O-N 3.16Å; L681-A684 PolarHBondContact O-N 3.11Å; L681-A684 CarbonylContact O-C 3.49Å; L681-L685 HydrophobicContact CB-CD1 4.48Å; L681-L685 HydrophobicContact CD2-CD1 4.37Å; L681-L685 VanDerWaalsContact O-CB 3.23Å; L681-L685 WeakPolarHBondContact O-CB 3.46Å; L681-L685 WeakPolarHBondContact O-CD1 3.19Å; L681-L685 WeakPolarHBondContact O-CG 3.16Å; L681-L685 PolarHBondContact O-N 3.34Å |
| 682 | E | 65.6 | Low | 55.7 | Low | 112 Ų | 112 | 113.5 Ų | 113.5 | 52% | 0.523 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.9 | -43.8 | 179.2 | -75.5 | 173.9 | 165 | 0 | 0 | 111.5 | Q678 A684 L685 Q686 | Q678-E682 PolarHBondContact O-N 3.04Å; E682-A684 VanDerWaalsContact C-N 3.26Å; E682-A684 PolarHBondContact O-N 3.24Å; E682-L685 CarbonylContact O-C 3.5Å; E682-L685 VanDerWaalsContact O-N 3.11Å; E682-L685 PolarHBondContact O-N 3.34Å; E682-Q686 PolarHBondContact O-N 2.92Å |
| 683 | A | 64.9 | Low | 54.6 | Low | 68 Ų | 68 | 114.1 Ų | 114.1 | 56% | 0.562 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.8 | -22.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A679 | A679-A683 WeakPolarHBondContact O-CB 3.48Å; A679-A683 PolarHBondContact O-N 2.81Å |
| 684 | A | 54.7 | Low | 53.4 | Low | 76 Ų | 76 | 115.3 Ų | 115.3 | 63% | 0.628 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -91.1 | -6.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | A680 L681 E682 | A680-A684 WeakPolarHBondContact O-CB 3.49Å; A680-A684 PolarHBondContact O-N 2.88Å; A680-A684 VanDerWaalsContact O-N 3.13Å; L681-A684 VanDerWaalsContact O-N 3.16Å; L681-A684 PolarHBondContact O-N 3.11Å; L681-A684 CarbonylContact O-C 3.49Å; E682-A684 VanDerWaalsContact C-N 3.26Å; E682-A684 PolarHBondContact O-N 3.24Å |
| 685 | L | 56.6 | Low | 52.3 | Low | 107 Ų | 107 | 116.4 Ų | 116.4 | 56% | 0.56 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -114.6 | -10.5 | 178.8 | -73.9 | 169.2 | 0 | 0 | 0 | 113.1 | L681 E682 D687 | L681-L685 HydrophobicContact CB-CD1 4.48Å; L681-L685 HydrophobicContact CD2-CD1 4.37Å; L681-L685 VanDerWaalsContact O-CB 3.23Å; L681-L685 WeakPolarHBondContact O-CB 3.46Å; L681-L685 WeakPolarHBondContact O-CD1 3.19Å; L681-L685 WeakPolarHBondContact O-CG 3.16Å; L681-L685 PolarHBondContact O-N 3.34Å; E682-L685 CarbonylContact O-C 3.5Å; E682-L685 VanDerWaalsContact O-N 3.11Å; E682-L685 PolarHBondContact O-N 3.34Å; L685-D687 PolarHBondContact O-N 3.16Å |
| 686 | Q | 54.8 | Low | 51 | Low | 153 Ų | 153 | 115 Ų | 115 | 72% | 0.715 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -62.6 | 113.7 | 159.2 | -80.1 | -178.7 | -40.9 | 0 | 0 | 107.5 | E682 E688 | E682-Q686 PolarHBondContact O-N 2.92Å; Q686-E688 PolarHBondContact O-N 3.13Å |
| 687 | D | 52.8 | Low | 49.9 | Very low | 123 Ų | 123 | 112 Ų | 112 | 66% | 0.658 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 126.9 | 167.5 | -61.6 | -54.5 | 0 | 0 | 0 | 107.2 | R571 L685 D689 | R571-D687 IonicContact NH2-OD1 2.74Å; R571-D687 PolarHBondContact NH2-OD1 3.43Å; L685-D687 PolarHBondContact O-N 3.16Å; D687-D689 PolarHBondContact O-N 2.84Å |
| 688 | E | 47.7 | Very low | 48.5 | Very low | 192 Ų | 192 | 118 Ų | 118 | 90% | 0.897 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 123.5 | 173.8 | -72.1 | -170.6 | 171.5 | 0 | 0 | 108.1 | Q686 | Q686-E688 PolarHBondContact O-N 3.13Š|
| 689 | D | 41 | Very low | 46.9 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 141.1 | -172.5 | -75.2 | -57.7 | 0 | 0 | 0 | 112.5 | D687 I691 | D687-D689 PolarHBondContact O-N 2.84Å; D689-I691 PolarHBondContact O-N 3.37Å |
| 690 | E | 39.7 | Very low | 45.3 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -47.2 | 112.7 | 179.7 | -63.6 | -177.7 | 156.3 | 0 | 0 | 112.1 | Q692 | E690-Q692 HydrophobicContact CB-CG 4.34Å; E690-Q692 PolarHBondContact OE2-NE2 2.92Å; E690-Q692 PolarHBondContact O-N 3.14Å | ||
| 691 | I | 39.2 | Very low | 43.7 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 80% | 0.795 | 71% | 0.709 | S | S | * | * | trans | -72.4 | 88.3 | 160.6 | -55.9 | -179.8 | 0 | 0 | 0 | 107.1 | D689 V693 | D689-I691 PolarHBondContact O-N 3.37Å; I691-V693 VanDerWaalsContact C-N 3.33Å; I691-V693 HydrophobicContact CG2-CG2 4.04Å; I691-V693 PolarHBondContact O-N 3.15Å | ||
| 692 | Q | 33.6 | Very low | 42.3 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | trans | -63.4 | 96.6 | 166.1 | -69.6 | -172 | 2.2 | 0 | 0 | 108.7 | E690 D694 | E690-Q692 HydrophobicContact CB-CG 4.34Å; E690-Q692 PolarHBondContact OE2-NE2 2.92Å; E690-Q692 PolarHBondContact O-N 3.14Å; Q692-D694 PolarHBondContact O-N 3.23Å | ||
| 693 | V | 37 | Very low | 40.7 | Very low | 115 Ų | 115 | 132 Ų | 132 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | trans | -74.3 | 81 | 173.5 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | I691 A695 | I691-V693 VanDerWaalsContact C-N 3.33Å; I691-V693 HydrophobicContact CG2-CG2 4.04Å; I691-V693 PolarHBondContact O-N 3.15Å; V693-A695 PolarHBondContact O-N 3.02Å | ||
| 694 | D | 34.5 | Very low | 39 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | trans | -66.3 | 97.9 | 173.6 | -170.7 | -19.1 | 0 | 0 | 0 | 109.7 | Q692 S696 | Q692-D694 PolarHBondContact O-N 3.23Å; D694-S696 VanDerWaalsContact CG-OG 3.3Å; D694-S696 PolarHBondContact O-N 2.89Å; D694-S696 WeakPolarHBondContact OD1-CB 3.18Å; D694-S696 PolarHBondContact OD1-N 2.96Å; D694-S696 VanDerWaalsContact OD1-N 3.15Å; D694-S696 PolarHBondContact OD1-OG 3.4Å | ||
| 695 | A | 39.1 | Very low | 37.8 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -80.7 | 17.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | V693 T697 | V693-A695 PolarHBondContact O-N 3.02Å; A695-T697 PolarHBondContact O-N 2.92Å; A695-T697 VanDerWaalsContact O-N 3.1Å |
| 696 | S | 38.1 | Very low | 36.5 | Very low | 83 Ų | 83 | 145.3 Ų | 145.3 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -65.9 | -3.8 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 115 | D694 | D694-S696 VanDerWaalsContact CG-OG 3.3Å; D694-S696 PolarHBondContact O-N 2.89Å; D694-S696 WeakPolarHBondContact OD1-CB 3.18Å; D694-S696 PolarHBondContact OD1-N 2.96Å; D694-S696 VanDerWaalsContact OD1-N 3.15Å; D694-S696 PolarHBondContact OD1-OG 3.4Å |
| 697 | T | 33.3 | Very low | 35.3 | Very low | 122 Ų | 122 | 148 Ų | 148 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -90.4 | 7.4 | -176.7 | 35.5 | 0 | 0 | 0 | 0 | 115.9 | A695 | A695-T697 PolarHBondContact O-N 2.92Å; A695-T697 VanDerWaalsContact O-N 3.1Å |
| 698 | F | 32.2 | Very low | 34.2 | Very low | 205 Ų | 205 | 148.1 Ų | 148.1 | 90% | 0.899 | 80% | 0.797 | S | S | * | * | trans | -102.7 | 40 | 173.6 | -95.6 | -82.9 | 0 | 0 | 0 | 114.4 | ||||
| 699 | E | 32.3 | Very low | 33.3 | Very low | 184 Ų | 184 | 150.7 Ų | 150.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 126.8 | 160.2 | -77.8 | -150.8 | 144.1 | 0 | 0 | 111.7 | ||||
| 700 | S | 32.5 | Very low | 33.5 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -64.2 | 130.7 | -173.7 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | S702 | S700-S702 PolarHBondContact O-N 2.75Š| ||
| 701 | T | 29.3 | Very low | 33 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -61.9 | 102.6 | 165 | 36.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 702 | S | 30.2 | Very low | 32.5 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -122.6 | 138.3 | 170.1 | 67.7 | 0 | 0 | 0 | 0 | 111.8 | S700 K704 | S700-S702 PolarHBondContact O-N 2.75Å; S702-K704 PolarHBondContact O-N 3.47Å | ||
| 703 | N | 31.2 | Very low | 32.2 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -56.7 | 129.9 | -170.6 | -88.3 | -57.7 | 0 | 0 | 0 | 114.3 | ||||
| 704 | K | 29.3 | Very low | 31.9 | Very low | 206 Ų | 206 | 150.6 Ų | 150.6 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -142.6 | 115.5 | 143.7 | -104.9 | 171.8 | -165.6 | 175.1 | 0 | 111.9 | S702 | S702-K704 PolarHBondContact O-N 3.47Š| ||
| 705 | K | 29.2 | Very low | 31.8 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -78.3 | 128.9 | 168.1 | -74.7 | 172.7 | 174 | 170.8 | 0 | 109.9 | ||||
| 706 | S | 29 | Very low | 31.3 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -155.7 | 143.2 | 148.5 | 49 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 707 | K | 30.2 | Very low | 30.8 | Very low | 210 Ų | 210 | 155.4 Ų | 155.4 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -86.7 | 142 | -172.2 | -57.6 | 161.1 | 176.1 | 172.1 | 0 | 111.7 | ||||
| 708 | S | 29.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 152.8 Ų | 152.8 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -161.2 | 139 | 142.1 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 709 | R | 30 | Very low | 30.4 | Very low | 246 Ų | 246 | 148.8 Ų | 148.8 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | trans | -90.7 | 164.7 | 179.9 | -94.7 | 174.2 | 90.6 | 177.6 | 6.9 | 112 | ||||
| 710 | P | 43.4 | Very low | 30.4 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | trans | -93.2 | 166.3 | -165.2 | 37.8 | -38 | 0 | 0 | 0 | 114.5 | ||||
| 711 | K | 29.7 | Very low | 30.3 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 85% | 0.848 | 83% | 0.829 | S | S | * | * | trans | -159.7 | 111.3 | 158.5 | -97 | 173.6 | -176.4 | -179.3 | 0 | 108 | ||||
| 712 | T | 28.5 | Very low | 30.3 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | 82 | 120.4 | 73.3 | 59.7 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 713 | G | 29 | Very low | 30.2 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | trans | 122 | 142.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 714 | R | 30.7 | Very low | 30.2 | Very low | 214 Ų | 214 | 139.8 Ų | 139.8 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | cis | 173 | 127.6 | -21.2 | -132 | -167.6 | 173 | -176.3 | -0.6 | 107.1 | ||||
| 715 | K | 31.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 138 Ų | 138 | 78% | 0.778 | 82% | 0.818 | S | S | * | * | trans | 62.6 | 159.7 | 153.7 | -64.2 | -174.4 | 171.1 | -165.3 | 0 | 117.8 | ||||
| 716 | S | 29.6 | Very low | 30.4 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -165.7 | 169.9 | -2.7 | 25.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 717 | G | 27.6 | Very low | 30.5 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | cis | 145.3 | 127.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 718 | G | 28.5 | Very low | 30.8 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 144.3 | 117.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 719 | S | 28.7 | Very low | 31 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | 70.6 | 130.8 | 70.9 | 70.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 720 | S | 30.4 | Very low | 31.4 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | cis | -166.2 | 159.7 | 29.8 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 721 | S | 30.7 | Very low | 31.3 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 55.2 | 150.1 | 147.4 | 59.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 722 | A | 30.6 | Very low | 31.4 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | cis | -172.5 | 152.2 | -19.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 723 | G | 28 | Very low | 32.1 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 168.9 | 93.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 724 | T | 30.6 | Very low | 32.4 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -35.8 | 136.3 | 172.6 | 39.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 725 | H | 31.2 | Very low | 32.5 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | -172 | 146.3 | 100.9 | -103.2 | -76.2 | 0 | 0 | 0 | 115.8 | |||||
| 726 | S | 31.2 | Very low | 32.8 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | trans | -29 | 160.3 | 162.1 | 47.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 727 | S | 31.5 | Very low | 33.2 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | cis | -176.5 | 144 | -11.8 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 728 | Q | 36.3 | Very low | 34.2 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 143.6 | 174.9 | -69.7 | 176.1 | -34.1 | 0 | 0 | 112.8 | ||||
| 729 | L | 34 | Very low | 34.7 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -166.8 | 120.5 | 151.9 | -106.1 | 145 | 0 | 0 | 0 | 111.5 | ||||
| 730 | Y | 38.3 | Very low | 35 | Very low | 226 Ų | 226 | 145.7 Ų | 145.7 | 89% | 0.886 | 83% | 0.825 | S | S | * | * | trans | -78.8 | 158.2 | 162.7 | -78.1 | -92.7 | 0 | 0 | 0 | 110.3 | ||||
| 731 | P | 40.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | trans | -128.5 | 160.9 | 141.5 | 35 | -24.2 | 0 | 0 | 0 | 114.1 | ||||
| 732 | Q | 32.2 | Very low | 35.5 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -89.9 | 173.6 | -174.2 | -68.4 | 177.2 | -45.2 | 0 | 0 | 114.4 | ||||
| 733 | S | 43.1 | Very low | 35.8 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | trans | -62.5 | 145.4 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 734 | R | 34.8 | Very low | 36.3 | Very low | 257 Ų | 257 | 157.4 Ų | 157.4 | 97% | 0.97 | 84% | 0.835 | S | S | * | * | trans | -170.3 | 151.8 | 145.3 | -98.2 | 166.3 | -174.7 | -161.8 | 0.8 | 106.5 | ||||
| 735 | G | 34.6 | Very low | 36.7 | Very low | 68 Ų | 68 | 159.7 Ų | 159.7 | 70% | 0.701 | 84% | 0.84 | S | S | * | * | cis | 145.6 | 89.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 736 | L | 36.1 | Very low | 37.1 | Very low | 164 Ų | 164 | 159 Ų | 159 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | trans | 60.3 | 120.2 | 157.5 | -62.5 | 165.9 | 0 | 0 | 0 | 122.4 | ||||
| 737 | V | 38.2 | Very low | 37.6 | Very low | 126 Ų | 126 | 163.8 Ų | 163.8 | 76% | 0.764 | 86% | 0.857 | S | S | * | * | 60.9 | 153.1 | 121.7 | -173.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 738 | P | 48.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 168.4 Ų | 168.4 | 72% | 0.721 | 87% | 0.865 | S | S | * | * | cis | -124.8 | 179.8 | -36.3 | 37.4 | -21.6 | 0 | 0 | 0 | 113.5 | ||||
| 739 | K | 39.9 | Very low | 38.2 | Very low | 279 Ų | 279 | 166.5 Ų | 166.5 | 100% | 1.213 | 86% | 0.863 | S | S | * | * | -151.2 | 0 | 124.5 | -117.8 | -176.6 | -175.1 | -177.7 | 0 | 111 |
Retrieved 739 of 739 residues in 137.7 ms
(Link to these results)