| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.5 | Very low | 56.3 | Low | 221 Ų | 221 | 103.6 Ų | 103.6 | 100% | 1.089 | 60% | 0.602 | S | S | * | * | 0 | 109 | 0 | -69.3 | -160.8 | -147.5 | 0 | 0 | 107.9 | S3 | M1-S3 PolarHBondContact O-N 3.49Š| |||
| 2 | A | 27.5 | Very low | 59.7 | Low | 103 Ų | 103 | 101.6 Ų | 101.6 | 85% | 0.851 | 58% | 0.581 | S | S | * | * | trans | -71.1 | 117.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K4 | A2-K4 PolarHBondContact O-N 3.2Š| ||
| 3 | S | 32 | Very low | 62.6 | Low | 89 Ų | 89 | 93.8 Ų | 93.8 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | trans | -49 | 123.6 | 153.6 | 176.5 | 0 | 0 | 0 | 0 | 106.9 | M1 T5 | M1-S3 PolarHBondContact O-N 3.49Å; S3-T5 PolarHBondContact O-N 3.1Å | ||
| 4 | K | 38.6 | Very low | 65.1 | Low | 204 Ų | 204 | 87.1 Ų | 87.1 | 89% | 0.887 | 50% | 0.498 | S | S | * | . | trans | -63.3 | 85.4 | 165.6 | -86.3 | -177.1 | 177.1 | 177.7 | 0 | 106.1 | A2 K6 | A2-K4 PolarHBondContact O-N 3.2Å; K4-K6 PolarHBondContact O-N 3.3Å | ||
| 5 | T | 38.2 | Very low | 67.3 | Low | 113 Ų | 113 | 81.3 Ų | 81.3 | 69% | 0.693 | 47% | 0.465 | S | S | * | . | trans | -50.2 | 123.6 | 167.2 | 26.2 | 0 | 0 | 0 | 0 | 106.1 | S3 A7 | S3-T5 PolarHBondContact O-N 3.1Å; T5-A7 WeakPolarHBondContact O-CA 3.47Å; T5-A7 PolarHBondContact O-N 3.16Å | ||
| 6 | K | 47.8 | Very low | 69.2 | Low | 153 Ų | 153 | 77.3 Ų | 77.3 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | trans | -53.5 | 94.3 | 169.4 | -76.1 | -177.1 | 176.4 | -178.4 | 0 | 106.3 | K4 S8 E382 | K4-K6 PolarHBondContact O-N 3.3Å; K6-S8 PolarHBondContact O-N 2.97Å; K6-E382 IonicContact NZ-OE1 3.77Å; K6-E382 PolarHBondContact NZ-OE1 3.1Å | ||
| 7 | A | 58.5 | Low | 70.8 | Confident | 80 Ų | 80 | 73.2 Ų | 73.2 | 66% | 0.661 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 120.5 | -164.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | T5 E9 | T5-A7 WeakPolarHBondContact O-CA 3.47Å; T5-A7 PolarHBondContact O-N 3.16Å; A7-E9 PolarHBondContact O-N 3.38Å |
| 8 | S | 77.3 | Confident | 72.1 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 125.1 | 168.2 | 56.1 | 0 | 0 | 0 | 0 | 108.3 | K6 N367 | K6-S8 PolarHBondContact O-N 2.97Å; S8-N367 CarbonylContact C-O 3.59Å; S8-N367 VanDerWaalsContact CA-O 3.31Å; S8-N367 WeakPolarHBondContact CA-O 3.33Å |
| 9 | E | 88 | Confident | 73.2 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.5 | 176.6 | -171.1 | 174.4 | 172.5 | 0 | 0 | 108.6 | A7 K335 N367 P369 | A7-E9 PolarHBondContact O-N 3.38Å; E9-K335 WeakPolarHBondContact OE2-CE 3.35Å; E9-N367 PolarHBondContact N-O 2.88Å; E9-N367 PolarHBondContact O-N 3.15Å; E9-P369 HydrophobicContact CB-CG 4.12Å; E9-P369 WeakPolarHBondContact OE2-CG 3.11Å |
| 10 | A | 89.9 | Confident | 74 | Confident | 53 Ų | 53 | 71 Ų | 71 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 147.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K12 I365 | A10-K12 PolarHBondContact O-N 3.27Å; A10-I365 CarbonylContact C-O 3.55Å; A10-I365 WeakPolarHBondContact CA-O 3.41Å |
| 11 | L | 92.6 | Very high | 74.7 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -64 | 125.8 | 172.4 | -173.9 | 153.1 | 0 | 0 | 0 | 109.1 | V13 F94 L330 T336 M338 A362 I365 | L11-V13 HydrophobicContact CD2-CG2 3.4Å; L11-V13 VanDerWaalsContact CD2-CG2 3.4Å; L11-F94 HydrophobicContact CD1-CE1 4.48Å; L11-L330 HydrophobicContact CD1-CD2 3.72Å; L11-T336 HydrophobicContact CD1-CG2 3.65Å; L11-T336 HydrophobicContact CG-CG2 4.01Å; L11-M338 HydrophobicContact CD2-CB 3.88Å; L11-A362 HydrophobicContact CD2-CB 4.34Å; L11-I365 HydrophobicContact CB-CB 4.13Å; L11-I365 HydrophobicContact CD1-CB 4.41Å; L11-I365 HydrophobicContact CD1-CD1 4.34Å; L11-I365 PolarHBondContact N-O 3.36Å |
| 12 | K | 96.2 | Very high | 77.5 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 34% | 0.343 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.5 | 178.1 | -68 | -174.1 | -179.3 | -174.7 | 0 | 110.2 | A10 D61 T336 I337 M338 | A10-K12 PolarHBondContact O-N 3.27Å; K12-D61 WeakPolarHBondContact CA-OD2 3.45Å; K12-T336 PolarHBondContact N-O 3.41Å; K12-T336 VanDerWaalsContact N-O 3.09Å; K12-I337 HydrophobicContact CB-CG1 4.2Å; K12-I337 CarbonylContact O-C 3.5Å; K12-I337 VanDerWaalsContact O-CA 3.31Å; K12-I337 WeakPolarHBondContact O-CA 3.33Å; K12-M338 PolarHBondContact O-N 3.2Å |
| 13 | V | 97.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.5 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | L11 F60 D61 M338 A359 A362 K363 | L11-V13 HydrophobicContact CD2-CG2 3.4Å; L11-V13 VanDerWaalsContact CD2-CG2 3.4Å; V13-F60 HydrophobicContact CB-CD1 4.22Å; V13-F60 HydrophobicContact CG1-CD1 3.66Å; V13-F60 HydrophobicContact CG1-CE1 4.01Å; V13-F60 WeakPolarHBondContact O-CB 3.42Å; V13-D61 PolarHBondContact N-OD2 3.42Å; V13-D61 WeakPolarHBondContact O-CB 3.27Å; V13-D61 PolarHBondContact O-N 2.98Å; V13-M338 HydrophobicContact CG1-CB 4.49Å; V13-M338 HydrophobicContact CG1-SD 4.37Å; V13-M338 HydrophobicContact CG2-CB 4.22Å; V13-A359 HydrophobicContact CG1-CB 3.75Å; V13-A362 HydrophobicContact CG2-CB 4.09Å; V13-K363 HydrophobicContact CB-CB 4.08Å; V13-K363 HydrophobicContact CG2-CB 3.61Å |
| 14 | V | 97.9 | Very high | 83 | Confident | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145.3 | 174.1 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | A62 Y64 T77 M338 V339 A340 | V14-A62 VanDerWaalsContact CA-O 3.26Å; V14-A62 WeakPolarHBondContact CA-O 3.28Å; V14-A62 HydrophobicContact CB-CB 4.48Å; V14-A62 WeakPolarHBondContact CB-O 3.43Å; V14-A62 HydrophobicContact CG1-CB 3.8Å; V14-Y64 HydrophobicContact CB-CD2 4.39Å; V14-Y64 HydrophobicContact CB-CE2 3.95Å; V14-Y64 HydrophobicContact CG1-CE2 4.29Å; V14-Y64 HydrophobicContact CG2-CE2 4.12Å; V14-T77 HydrophobicContact CG1-CG2 3.7Å; V14-T77 HydrophobicContact CG2-CG2 4.26Å; V14-M338 PolarHBondContact N-O 3.49Å; V14-V339 HydrophobicContact CG2-CB 4.24Å; V14-V339 HydrophobicContact CG2-CG1 4.17Å; V14-V339 HydrophobicContact CG2-CG2 3.87Å; V14-A340 PolarHBondContact O-N 3.1Å |
| 15 | A | 97.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M35 V42 F60 A62 V63 Y64 A340 L342 | A15-M35 HydrophobicContact CB-CE 4.17Å; A15-V42 HydrophobicContact CB-CG2 3.83Å; A15-F60 HydrophobicContact CB-CD2 3.83Å; A15-F60 HydrophobicContact CB-CE2 4.06Å; A15-F60 HydrophobicContact CB-CG 4.45Å; A15-A62 PolarHBondContact N-O 3.33Å; A15-A62 VanDerWaalsContact N-O 3.15Å; A15-V63 HydrophobicContact CB-CG1 4.24Å; A15-V63 CarbonylContact O-C 3.58Å; A15-V63 WeakPolarHBondContact O-CA 3.46Å; A15-Y64 PolarHBondContact O-N 3.21Å; A15-A340 CarbonylContact C-O 3.35Å; A15-A340 WeakPolarHBondContact CA-O 3.32Å; A15-L342 HydrophobicContact CB-CD1 4.28Å |
| 16 | R | 97.6 | Very high | 87.9 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.3 | 176.8 | -173.9 | 179.7 | -168.5 | 178.7 | 12 | 110.4 | Y64 T106 V339 A340 T341 L342 | R16-Y64 CarbonylContact C-O 3.54Å; R16-Y64 VanDerWaalsContact CA-O 3.31Å; R16-Y64 WeakPolarHBondContact CA-O 3.41Å; R16-T106 PolarHBondContact NH1-OG1 2.63Å; R16-V339 HydrophobicContact CB-CG1 4.36Å; R16-A340 PolarHBondContact N-O 3.23Å; R16-T341 CarbonylContact O-C 3.54Å; R16-T341 WeakPolarHBondContact O-CA 3.22Å; R16-L342 PolarHBondContact O-N 3.28Å |
| 17 | C | 96.4 | Very high | 89.8 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.1 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | M35 Y64 D65 A66 L342 | C17-M35 HydrophobicContact CB-CE 3.41Å; C17-M35 VanDerWaalsContact CB-CE 3.41Å; C17-M35 HydrophobicContact CB-SD 3.5Å; C17-M35 WeakPolarHBondContact CB-SD 3.5Å; C17-Y64 PolarHBondContact N-O 2.84Å; C17-D65 CarbonylContact O-C 3.54Å; C17-A66 PolarHBondContact O-N 3.34Å; C17-L342 HydrophobicContact CB-CB 4.48Å |
| 18 | R | 94.5 | Very high | 91.1 | Very high | 55 Ų | 55 | 59 Ų | 59 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 160 | 173.7 | 66.2 | 160.4 | 178 | 75.2 | 0.8 | 111.1 | E24 G100 L342 P344 | R18-E24 IonicContact CZ-OE1 3.78Å; R18-E24 IonicContact CZ-OE2 2.97Å; R18-E24 IonicContact NH1-OE1 3.63Å; R18-E24 IonicContact NH1-OE2 3.71Å; R18-E24 PolarHBondContact NH1-OE2 3.47Å; R18-E24 VanDerWaalsContact NH2-CD 3.31Å; R18-E24 IonicContact NH2-OE1 3.27Å; R18-E24 PolarHBondContact NH2-OE1 3.19Å; R18-E24 IonicContact NH2-OE2 2.81Å; R18-E24 PolarHBondContact NH2-OE2 3.01Å; R18-G100 PolarHBondContact NE-O 3.23Å; R18-L342 PolarHBondContact N-O 3.15Å; R18-P344 WeakPolarHBondContact O-CD 3.45Å; R18-P344 WeakPolarHBondContact O-CG 3.45Å |
| 19 | P | 92.7 | Very high | 91.7 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -60 | 159 | 167.1 | 25 | -34.8 | 0 | 0 | 0 | 112.1 | S21 A66 | P19-S21 PolarHBondContact O-N 2.75Å; P19-A66 HydrophobicContact CB-CB 4.04Å |
| 20 | L | 90.1 | Very high | 91.8 | Very high | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 135.4 | 167.5 | -87.6 | 155.7 | 0 | 0 | 0 | 109.2 | E24 E25 Q31 P344 A345 | L20-E24 HydrophobicContact CD2-CB 3.8Å; L20-E25 HydrophobicContact CB-CG 4.02Å; L20-Q31 HydrophobicContact CD1-CB 4.04Å; L20-P344 HydrophobicContact CB-CG 4.37Å; L20-P344 HydrophobicContact CD2-CG 4.09Å; L20-P344 HydrophobicContact CG-CB 4.18Å; L20-P344 HydrophobicContact CG-CG 3.77Å; L20-A345 HydrophobicContact CD2-CB 4.15Å |
| 21 | S | 88.6 | Confident | 91.8 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 29% | 0.287 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 152.8 | 175.8 | 68.7 | 0 | 0 | 0 | 0 | 110.1 | P19 K23 E24 E25 | P19-S21 PolarHBondContact O-N 2.75Å; S21-K23 PolarHBondContact O-N 3.39Å; S21-E24 WeakPolarHBondContact CB-OE2 3.49Å; S21-E24 PolarHBondContact N-OE2 3.34Å; S21-E24 WeakPolarHBondContact O-CA 3.43Å; S21-E24 WeakPolarHBondContact O-CB 3.42Å; S21-E24 PolarHBondContact O-N 3.37Å; S21-E24 VanDerWaalsContact OG-CG 3.26Å; S21-E24 WeakPolarHBondContact OG-CG 3.46Å; S21-E24 PolarHBondContact OG-N 3.3Å; S21-E24 PolarHBondContact OG-OE2 3.5Å; S21-E25 PolarHBondContact O-N 3.44Å |
| 22 | R | 88.5 | Confident | 91.8 | Very high | 218 Ų | 218 | 64.5 Ų | 64.5 | 82% | 0.823 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -53.6 | -32.7 | 176 | -65.5 | -176.5 | -177.7 | 174.2 | 1.1 | 113.3 | A26 | R22-A26 WeakPolarHBondContact O-CB 3.44Å; R22-A26 PolarHBondContact O-N 3.35Å |
| 23 | K | 86.4 | Confident | 91.7 | Very high | 183 Ų | 183 | 60.8 Ų | 60.8 | 80% | 0.796 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68 | -39 | 176.2 | -69.1 | -175.6 | -179.8 | 179.1 | 0 | 111.7 | S21 A27 | S21-K23 PolarHBondContact O-N 3.39Å; K23-A27 VanDerWaalsContact O-CB 3.28Å; K23-A27 WeakPolarHBondContact O-CB 3.43Å; K23-A27 PolarHBondContact O-N 3.14Å |
| 24 | E | 88.6 | Confident | 91.5 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 5% | 0.051 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73 | -38.9 | 178.1 | -69.2 | 160.7 | 145.3 | 0 | 0 | 111.8 | R18 L20 S21 A27 G28 H29 A345 H347 | R18-E24 IonicContact CZ-OE1 3.78Å; R18-E24 IonicContact CZ-OE2 2.97Å; R18-E24 IonicContact NH1-OE1 3.63Å; R18-E24 IonicContact NH1-OE2 3.71Å; R18-E24 PolarHBondContact NH1-OE2 3.47Å; R18-E24 VanDerWaalsContact NH2-CD 3.31Å; R18-E24 IonicContact NH2-OE1 3.27Å; R18-E24 PolarHBondContact NH2-OE1 3.19Å; R18-E24 IonicContact NH2-OE2 2.81Å; R18-E24 PolarHBondContact NH2-OE2 3.01Å; L20-E24 HydrophobicContact CD2-CB 3.8Å; S21-E24 WeakPolarHBondContact CB-OE2 3.49Å; S21-E24 PolarHBondContact N-OE2 3.34Å; S21-E24 WeakPolarHBondContact O-CA 3.43Å; S21-E24 WeakPolarHBondContact O-CB 3.42Å; S21-E24 PolarHBondContact O-N 3.37Å; S21-E24 VanDerWaalsContact OG-CG 3.26Å; S21-E24 WeakPolarHBondContact OG-CG 3.46Å; S21-E24 PolarHBondContact OG-N 3.3Å; S21-E24 PolarHBondContact OG-OE2 3.5Å; E24-A27 PolarHBondContact O-N 3.23Å; E24-G28 PolarHBondContact O-N 3.06Å; E24-H29 HydrophobicContact CB-CB 4.34Å; E24-H29 PolarHBondContact O-N 3.48Å; E24-A345 HydrophobicContact CB-CB 4.27Å; E24-A345 HydrophobicContact CG-CB 3.91Å; E24-A345 VanDerWaalsContact OE1-CB 3.31Å; E24-A345 WeakPolarHBondContact OE1-CB 3.38Å; E24-H347 IonicContact OE1-CE1 3.58Å |
| 25 | E | 89.2 | Confident | 91.3 | Very high | 116 Ų | 116 | 66.7 Ų | 66.7 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 173.3 | -66.4 | 175 | 159.9 | 0 | 0 | 111 | L20 S21 A27 G28 | L20-E25 HydrophobicContact CB-CG 4.02Å; S21-E25 PolarHBondContact O-N 3.44Å; E25-A27 PolarHBondContact O-N 3.16Å; E25-G28 PolarHBondContact O-N 3.12Å |
| 26 | A | 89 | Confident | 91.1 | Very high | 92 Ų | 92 | 69.9 Ų | 69.9 | 76% | 0.76 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.3 | -30.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R22 G28 | R22-A26 WeakPolarHBondContact O-CB 3.44Å; R22-A26 PolarHBondContact O-N 3.35Å; A26-G28 PolarHBondContact O-N 3.32Å |
| 27 | A | 87.6 | Confident | 90.9 | Very high | 61 Ų | 61 | 72.5 Ų | 72.5 | 50% | 0.504 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K23 E24 E25 H29 | K23-A27 VanDerWaalsContact O-CB 3.28Å; K23-A27 WeakPolarHBondContact O-CB 3.43Å; K23-A27 PolarHBondContact O-N 3.14Å; E24-A27 PolarHBondContact O-N 3.23Å; E25-A27 PolarHBondContact O-N 3.16Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 3.05Å |
| 28 | G | 87.6 | Confident | 90.7 | Very high | 62 Ų | 62 | 81.7 Ų | 81.7 | 64% | 0.639 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 27.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E24 E25 A26 | E24-G28 PolarHBondContact O-N 3.06Å; E25-G28 PolarHBondContact O-N 3.12Å; A26-G28 PolarHBondContact O-N 3.32Å |
| 29 | H | 89.6 | Confident | 90.6 | Very high | 61 Ų | 61 | 84 Ų | 84 | 28% | 0.282 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 128.9 | 178 | -68.2 | -43.2 | 0 | 0 | 0 | 111.8 | E24 A27 A345 H347 | E24-H29 HydrophobicContact CB-CB 4.34Å; E24-H29 PolarHBondContact O-N 3.48Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 3.05Å; H29-A345 HydrophobicContact CB-CB 4Å; H29-H347 AromaticContact CD2-ND1 3.41Å; H29-H347 PolarHBondContact CD2-ND1 3.21Å; H29-H347 AromaticContact CE1-ND1 3.98Å; H29-H347 AromaticContact CG-ND1 3.97Å; H29-H347 AromaticContact NE2-ND1 3.41Å; H29-H347 PolarHBondContact NE2-ND1 3.28Å |
| 30 | E | 88.5 | Confident | 90.6 | Very high | 107 Ų | 107 | 80.4 Ų | 80.4 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 148.9 | 174.6 | -62.5 | -176.4 | -172.4 | 0 | 0 | 112.2 | I32 R45 S346 | E30-I32 PolarHBondContact O-N 3.01Å; E30-R45 IonicContact OE2-NH1 3.87Å; E30-S346 PolarHBondContact O-N 2.97Å |
| 31 | Q | 91.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 81.5 Ų | 81.5 | 56% | 0.561 | 43% | 0.431 | S | S | * | . | B | Isolated β-bridge | trans | -76.8 | 116.4 | 169.5 | -175.1 | 170.3 | -18.8 | 0 | 0 | 110.4 | L20 L33 P344 | L20-Q31 HydrophobicContact CD1-CB 4.04Å; Q31-L33 PolarHBondContact NE2-O 3.47Å; Q31-P344 WeakPolarHBondContact CA-O 3.31Å; Q31-P344 HydrophobicContact CG-CB 4.21Å |
| 32 | I | 92.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.015 | 42% | 0.417 | C | S | . | . | trans | -103.3 | -8.1 | -177.3 | 56.7 | 162.4 | 0 | 0 | 0 | 113.9 | E30 L44 R45 P47 P344 A345 Y349 | E30-I32 PolarHBondContact O-N 3.01Å; I32-L44 HydrophobicContact CD1-CD1 3.84Å; I32-L44 HydrophobicContact CG1-CD1 4.24Å; I32-R45 WeakPolarHBondContact CB-O 3.13Å; I32-R45 PolarHBondContact O-N 3.11Å; I32-P47 HydrophobicContact CG2-CB 4.37Å; I32-P47 HydrophobicContact CG2-CG 4.24Å; I32-P344 VanDerWaalsContact CG1-O 3.3Å; I32-P344 WeakPolarHBondContact CG1-O 3.39Å; I32-P344 PolarHBondContact N-O 2.86Å; I32-A345 WeakPolarHBondContact CD1-O 3.35Å; I32-Y349 HydrophobicContact CD1-CD2 4.04Å; I32-Y349 HydrophobicContact CD1-CG 4.37Å | ||
| 33 | L | 93.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.6 | -179.8 | -77.1 | 172 | 0 | 0 | 0 | 110.9 | Q31 V42 L44 L342 G343 L356 | Q31-L33 PolarHBondContact NE2-O 3.47Å; L33-V42 HydrophobicContact CD2-CG1 3.7Å; L33-L44 HydrophobicContact CD2-CB 4.13Å; L33-L44 HydrophobicContact CD2-CD1 3.41Å; L33-L44 VanDerWaalsContact CD2-CD1 3.41Å; L33-L44 HydrophobicContact CD2-CG 4.37Å; L33-L44 HydrophobicContact CG-CD1 3.87Å; L33-L342 HydrophobicContact CD1-CB 3.68Å; L33-L342 HydrophobicContact CD1-CD1 4.28Å; L33-G343 VanDerWaalsContact CD1-O 3.27Å; L33-G343 WeakPolarHBondContact CD1-O 3.36Å; L33-L356 HydrophobicContact CD2-CD1 4.38Å |
| 34 | T | 93.6 | Very high | 92 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.7 | 168.7 | -53.6 | 0 | 0 | 0 | 0 | 108.3 | T43 | T34-T43 PolarHBondContact N-O 3.01Å; T34-T43 PolarHBondContact O-N 3.46Å |
| 35 | M | 94.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 15% | 0.148 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.1 | -179.6 | -70.9 | -175.8 | 157 | 0 | 0 | 110.1 | A15 C17 Q41 V42 V63 D65 L342 | A15-M35 HydrophobicContact CB-CE 4.17Å; C17-M35 HydrophobicContact CB-CE 3.41Å; C17-M35 VanDerWaalsContact CB-CE 3.41Å; C17-M35 HydrophobicContact CB-SD 3.5Å; C17-M35 WeakPolarHBondContact CB-SD 3.5Å; M35-Q41 WeakPolarHBondContact CA-O 3.35Å; M35-V42 HydrophobicContact CE-CB 4.49Å; M35-V42 HydrophobicContact CE-CG1 3.95Å; M35-V42 HydrophobicContact CE-CG2 3.72Å; M35-V42 HydrophobicContact CG-CG1 4.23Å; M35-V42 HydrophobicContact CG-CG2 4.23Å; M35-V63 HydrophobicContact CB-CG2 4.44Å; M35-D65 HydrophobicContact CB-CB 4.14Å; M35-D65 HydrophobicContact SD-CB 4.23Å; M35-L342 HydrophobicContact CE-CD1 3.86Å |
| 36 | D | 93.8 | Very high | 92.1 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 99.3 | 167.7 | -172.6 | -30.1 | 0 | 0 | 0 | 108.3 | K38 L39 G40 Q41 V63 | D36-K38 VanDerWaalsContact C-N 3.28Å; D36-K38 PolarHBondContact O-N 3.02Å; D36-K38 PolarHBondContact OD1-N 2.79Å; D36-L39 HydrophobicContact CB-CB 4.27Å; D36-L39 PolarHBondContact O-N 3.01Å; D36-L39 PolarHBondContact OD1-N 3.27Å; D36-L39 VanDerWaalsContact OD1-N 3.08Å; D36-L39 WeakPolarHBondContact OD2-CD1 3.43Å; D36-L39 WeakPolarHBondContact OD2-CG 3.48Å; D36-G40 PolarHBondContact O-N 3.22Å; D36-Q41 HydrophobicContact CB-CB 4.31Å; D36-Q41 PolarHBondContact N-O 3.03Å; D36-Q41 PolarHBondContact O-N 3.27Å; D36-V63 WeakPolarHBondContact O-CG2 3.11Å |
| 37 | V | 93.2 | Very high | 91.9 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 44% | 0.436 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -36.5 | -177.9 | -179 | 0 | 0 | 0 | 0 | 111.7 | G40 V63 D65 | V37-G40 PolarHBondContact O-N 2.67Å; V37-V63 HydrophobicContact CG2-CG2 4.47Å; V37-D65 HydrophobicContact CG2-CB 4.32Å |
| 38 | K | 91.1 | Very high | 91.8 | Very high | 200 Ų | 200 | 69.1 Ų | 69.1 | 87% | 0.87 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -36.5 | -177.4 | -67.1 | -178.9 | 179.2 | 176.9 | 0 | 112.2 | D36 | D36-K38 VanDerWaalsContact C-N 3.28Å; D36-K38 PolarHBondContact O-N 3.02Å; D36-K38 PolarHBondContact OD1-N 2.79Å |
| 39 | L | 91.8 | Very high | 91.6 | Very high | 102 Ų | 102 | 68 Ų | 68 | 53% | 0.534 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5.8 | 179.3 | -62.4 | -176.6 | 0 | 0 | 0 | 113.3 | D36 Q41 | D36-L39 HydrophobicContact CB-CB 4.27Å; D36-L39 PolarHBondContact O-N 3.01Å; D36-L39 PolarHBondContact OD1-N 3.27Å; D36-L39 VanDerWaalsContact OD1-N 3.08Å; D36-L39 WeakPolarHBondContact OD2-CD1 3.43Å; D36-L39 WeakPolarHBondContact OD2-CG 3.48Å; L39-Q41 HydrophobicContact CB-CB 4.34Å; L39-Q41 HydrophobicContact CB-CG 3.89Å; L39-Q41 PolarHBondContact O-N 3.21Å |
| 40 | G | 93.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 31.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D36 V37 T59 F60 V63 | D36-G40 PolarHBondContact O-N 3.22Å; V37-G40 PolarHBondContact O-N 2.67Å; G40-T59 WeakPolarHBondContact O-CA 3.35Å; G40-F60 PolarHBondContact O-N 3.27Å; G40-V63 WeakPolarHBondContact O-CG1 3.07Å |
| 41 | Q | 96.4 | Very high | 90.3 | Very high | 62 Ų | 62 | 70 Ų | 70 | 29% | 0.29 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 141.2 | -171.8 | -70.3 | -174.8 | 0.3 | 0 | 0 | 113.2 | M35 D36 L39 T57 F58 T59 | M35-Q41 WeakPolarHBondContact CA-O 3.35Å; D36-Q41 HydrophobicContact CB-CB 4.31Å; D36-Q41 PolarHBondContact N-O 3.03Å; D36-Q41 PolarHBondContact O-N 3.27Å; L39-Q41 HydrophobicContact CB-CB 4.34Å; L39-Q41 HydrophobicContact CB-CG 3.89Å; L39-Q41 PolarHBondContact O-N 3.21Å; Q41-T57 HydrophobicContact CB-CG2 4.23Å; Q41-T57 HydrophobicContact CG-CG2 4.41Å; Q41-F58 CarbonylContact C-O 3.56Å; Q41-F58 VanDerWaalsContact CA-O 3.26Å; Q41-F58 WeakPolarHBondContact CA-O 3.31Å; Q41-T59 HydrophobicContact CG-CG2 4.18Å |
| 42 | V | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.7 | 172.4 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | A15 L33 M35 T57 F58 F60 V63 L342 L356 | A15-V42 HydrophobicContact CB-CG2 3.83Å; L33-V42 HydrophobicContact CD2-CG1 3.7Å; M35-V42 HydrophobicContact CE-CB 4.49Å; M35-V42 HydrophobicContact CE-CG1 3.95Å; M35-V42 HydrophobicContact CE-CG2 3.72Å; M35-V42 HydrophobicContact CG-CG1 4.23Å; M35-V42 HydrophobicContact CG-CG2 4.23Å; V42-T57 CarbonylContact O-C 3.58Å; V42-T57 WeakPolarHBondContact O-CA 3.44Å; V42-F58 PolarHBondContact N-O 3.41Å; V42-F58 PolarHBondContact O-N 3.2Å; V42-F60 HydrophobicContact CB-CE2 4.34Å; V42-F60 HydrophobicContact CG2-CD2 3.9Å; V42-F60 HydrophobicContact CG2-CE2 3.92Å; V42-V63 HydrophobicContact CG2-CB 4.25Å; V42-V63 HydrophobicContact CG2-CG1 3.62Å; V42-L342 HydrophobicContact CG1-CD1 4.21Å; V42-L356 HydrophobicContact CB-CD2 4.17Å; V42-L356 HydrophobicContact CG1-CD1 4.25Å; V42-L356 HydrophobicContact CG1-CD2 4.06Å; V42-L356 HydrophobicContact CG2-CD2 4.46Å |
| 43 | T | 95.2 | Very high | 89 | Confident | 38 Ų | 38 | 72 Ų | 72 | 23% | 0.233 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.9 | 176.4 | -59 | 0 | 0 | 0 | 0 | 109.8 | T34 P55 K56 T57 | T34-T43 PolarHBondContact N-O 3.01Å; T34-T43 PolarHBondContact O-N 3.46Å; T43-P55 HydrophobicContact CG2-CB 3.42Å; T43-P55 VanDerWaalsContact CG2-CB 3.42Å; T43-P55 HydrophobicContact CG2-CG 4.4Å; T43-K56 CarbonylContact C-O 3.58Å; T43-K56 WeakPolarHBondContact CA-O 3.27Å; T43-T57 PolarHBondContact OG1-OG1 3.15Å; T43-T57 VanDerWaalsContact OG1-OG1 3.08Å |
| 44 | L | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.2 | 179.4 | -176.4 | 74.1 | 0 | 0 | 0 | 109.7 | I32 L33 K56 Y349 L353 L356 | I32-L44 HydrophobicContact CD1-CD1 3.84Å; I32-L44 HydrophobicContact CG1-CD1 4.24Å; L33-L44 HydrophobicContact CD2-CB 4.13Å; L33-L44 HydrophobicContact CD2-CD1 3.41Å; L33-L44 VanDerWaalsContact CD2-CD1 3.41Å; L33-L44 HydrophobicContact CD2-CG 4.37Å; L33-L44 HydrophobicContact CG-CD1 3.87Å; L44-K56 PolarHBondContact N-O 3.28Å; L44-K56 PolarHBondContact O-N 2.92Å; L44-Y349 HydrophobicContact CD1-CD2 4.05Å; L44-Y349 HydrophobicContact CD1-CE2 4.39Å; L44-Y349 HydrophobicContact CD2-CD2 3.81Å; L44-Y349 HydrophobicContact CD2-CE2 3.52Å; L44-Y349 HydrophobicContact CG-CD2 3.83Å; L44-Y349 HydrophobicContact CG-CE2 3.65Å; L44-L353 HydrophobicContact CD2-CB 3.68Å; L44-L353 HydrophobicContact CD2-CD1 4.02Å; L44-L353 HydrophobicContact CD2-CG 4.39Å; L44-L356 HydrophobicContact CB-CD1 4.21Å; L44-L356 HydrophobicContact CD2-CD1 4.27Å |
| 45 | R | 91.9 | Very high | 88.4 | Confident | 139 Ų | 139 | 77.4 Ų | 77.4 | 53% | 0.525 | 42% | 0.424 | S | S | . | . | trans | -91.9 | 131 | 174.9 | -179.2 | 178.7 | 169.5 | -146.9 | -6.8 | 110.2 | E30 I32 P47 Y349 | E30-R45 IonicContact OE2-NH1 3.87Å; I32-R45 WeakPolarHBondContact CB-O 3.13Å; I32-R45 PolarHBondContact O-N 3.11Å; R45-P47 WeakPolarHBondContact O-CD 3.22Å; R45-Y349 WeakPolarHBondContact O-CD2 3.4Å | ||
| 46 | N | 89.4 | Confident | 88.3 | Confident | 32 Ų | 32 | 78.6 Ų | 78.6 | 17% | 0.171 | 43% | 0.428 | C | S | . | . | trans | -81.4 | 115.2 | 171.4 | -176.4 | -1.8 | 0 | 0 | 0 | 109.6 | R48 A49 Y349 | N46-R48 PolarHBondContact O-N 3.49Å; N46-R48 PolarHBondContact OD1-N 3.45Å; N46-A49 HydrophobicContact CB-CB 3.9Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 3.09Å; N46-Y349 VanDerWaalsContact CA-CE2 3.41Å; N46-Y349 HydrophobicContact CB-CD2 4.47Å; N46-Y349 HydrophobicContact CB-CE1 4.35Å; N46-Y349 HydrophobicContact CB-CE2 3.67Å; N46-Y349 WeakPolarHBondContact CB-OH 3.44Å | ||
| 47 | P | 84.3 | Confident | 88.3 | Confident | 53 Ų | 53 | 78.8 Ų | 78.8 | 34% | 0.344 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -16.6 | 178.5 | 28.7 | -34 | 0 | 0 | 0 | 112.7 | I32 R45 | I32-P47 HydrophobicContact CG2-CB 4.37Å; I32-P47 HydrophobicContact CG2-CG 4.24Å; R45-P47 WeakPolarHBondContact O-CD 3.22Å |
| 48 | R | 85.4 | Confident | 88.4 | Confident | 201 Ų | 201 | 76.6 Ų | 76.6 | 76% | 0.758 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 11.8 | 179.1 | -57 | 179.1 | -172.4 | 159.2 | 2.3 | 113 | N46 | N46-R48 PolarHBondContact O-N 3.49Å; N46-R48 PolarHBondContact OD1-N 3.45Å |
| 49 | A | 82.3 | Confident | 88.7 | Confident | 38 Ų | 38 | 70 Ų | 70 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | trans | -62.9 | 144.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N46 E53 | N46-A49 HydrophobicContact CB-CB 3.9Å; N46-A49 WeakPolarHBondContact O-CB 3.43Å; N46-A49 PolarHBondContact O-N 3.09Å; A49-E53 WeakPolarHBondContact CA-OE2 3.27Å; A49-E53 HydrophobicContact CB-CB 3.8Å; A49-E53 HydrophobicContact CB-CG 4.36Å; A49-E53 VanDerWaalsContact CB-OE2 3.3Å; A49-E53 WeakPolarHBondContact CB-OE2 3.36Å | ||
| 50 | A | 81.6 | Confident | 89 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 55% | 0.554 | 37% | 0.371 | S | S | * | . | trans | -68.2 | 153.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G52 E53 | A50-G52 PolarHBondContact O-N 3.21Å; A50-E53 PolarHBondContact O-N 3.26Å; A50-E53 VanDerWaalsContact O-N 3.11Å | ||
| 51 | P | 71.1 | Confident | 89.1 | Confident | 142 Ų | 142 | 70.2 Ų | 70.2 | 92% | 0.922 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 114.5 | 176.6 | -22.1 | 32.2 | 0 | 0 | 0 | 111.1 | ||
| 52 | G | 73.6 | Confident | 89.1 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 78% | 0.784 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.9 | -7.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | A50 L54 | A50-G52 PolarHBondContact O-N 3.21Å; G52-L54 PolarHBondContact O-N 2.96Å |
| 53 | E | 81.4 | Confident | 89.1 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 123.3 | 171.9 | -167.3 | -175.6 | 161 | 0 | 0 | 110.3 | A49 A50 | A49-E53 WeakPolarHBondContact CA-OE2 3.27Å; A49-E53 HydrophobicContact CB-CB 3.8Å; A49-E53 HydrophobicContact CB-CG 4.36Å; A49-E53 VanDerWaalsContact CB-OE2 3.3Å; A49-E53 WeakPolarHBondContact CB-OE2 3.36Å; A50-E53 PolarHBondContact O-N 3.26Å; A50-E53 VanDerWaalsContact O-N 3.11Å |
| 54 | L | 85.4 | Confident | 89.2 | Confident | 147 Ų | 147 | 66.1 Ų | 66.1 | 77% | 0.77 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 143.8 | -178.7 | -67.9 | 173.5 | 0 | 0 | 0 | 111.4 | G52 | G52-L54 PolarHBondContact O-N 2.96Š|
| 55 | P | 88.9 | Confident | 89.2 | Confident | 63 Ų | 63 | 68.3 Ų | 68.3 | 41% | 0.409 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 142.6 | 171.8 | -24.1 | 34.2 | 0 | 0 | 0 | 112.4 | T43 | T43-P55 HydrophobicContact CG2-CB 3.42Å; T43-P55 VanDerWaalsContact CG2-CB 3.42Å; T43-P55 HydrophobicContact CG2-CG 4.4Å |
| 56 | K | 92.3 | Very high | 89.1 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.1 | 177.8 | -62.1 | -170.6 | -178.2 | -163.3 | 0 | 109.2 | T43 L44 F58 L353 D604 | T43-K56 CarbonylContact C-O 3.58Å; T43-K56 WeakPolarHBondContact CA-O 3.27Å; L44-K56 PolarHBondContact N-O 3.28Å; L44-K56 PolarHBondContact O-N 2.92Å; K56-F58 HydrophobicContact CB-CE2 3.97Å; K56-F58 HydrophobicContact CB-CZ 4.48Å; K56-L353 HydrophobicContact CD-CD1 3.87Å; K56-D604 IonicContact NZ-OD2 3.46Å |
| 57 | T | 94.4 | Very high | 89.2 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.9 | -179 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | Q41 V42 T43 | Q41-T57 HydrophobicContact CB-CG2 4.23Å; Q41-T57 HydrophobicContact CG-CG2 4.41Å; V42-T57 CarbonylContact O-C 3.58Å; V42-T57 WeakPolarHBondContact O-CA 3.44Å; T43-T57 PolarHBondContact OG1-OG1 3.15Å; T43-T57 VanDerWaalsContact OG1-OG1 3.08Å |
| 58 | F | 96.1 | Very high | 89.6 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 151.3 | 178.7 | -60.2 | -91.9 | 0 | 0 | 0 | 109.9 | Q41 V42 K56 F60 L353 L356 R357 N360 | Q41-F58 CarbonylContact C-O 3.56Å; Q41-F58 VanDerWaalsContact CA-O 3.26Å; Q41-F58 WeakPolarHBondContact CA-O 3.31Å; V42-F58 PolarHBondContact N-O 3.41Å; V42-F58 PolarHBondContact O-N 3.2Å; K56-F58 HydrophobicContact CB-CE2 3.97Å; K56-F58 HydrophobicContact CB-CZ 4.48Å; F58-F60 HydrophobicContact CB-CD2 4.48Å; F58-F60 HydrophobicContact CB-CE2 3.61Å; F58-F60 HydrophobicContact CB-CZ 3.8Å; F58-F60 HydrophobicContact CG-CZ 4.47Å; F58-L353 HydrophobicContact CE2-CD1 4.25Å; F58-L353 HydrophobicContact CZ-CD1 3.96Å; F58-L356 HydrophobicContact CD1-CB 4.46Å; F58-L356 HydrophobicContact CD2-CB 3.99Å; F58-L356 HydrophobicContact CD2-CD1 3.88Å; F58-L356 HydrophobicContact CD2-CD2 4.35Å; F58-L356 HydrophobicContact CD2-CG 4.31Å; F58-L356 HydrophobicContact CE1-CB 4.39Å; F58-L356 HydrophobicContact CE2-CB 3.92Å; F58-L356 HydrophobicContact CE2-CD1 3.96Å; F58-L356 HydrophobicContact CG-CB 4.26Å; F58-L356 HydrophobicContact CZ-CB 4.13Å; F58-R357 HydrophobicContact CE1-CG 4.36Å; F58-R357 HydrophobicContact CZ-CG 4.34Å; F58-N360 HydrophobicContact CD1-CB 4.03Å; F58-N360 HydrophobicContact CE1-CB 4.49Å |
| 59 | T | 96.6 | Very high | 90 | Very high | 63 Ų | 63 | 62.1 Ų | 62.1 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.4 | 178.5 | -48.2 | 0 | 0 | 0 | 0 | 110 | G40 Q41 K363 | G40-T59 WeakPolarHBondContact O-CA 3.35Å; Q41-T59 HydrophobicContact CG-CG2 4.18Å; T59-K363 PolarHBondContact O-NZ 3.01Å |
| 60 | F | 97.3 | Very high | 90.6 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.057 | 37% | 0.371 | C | S | . | . | trans | -126 | 174 | -175.4 | -62.8 | -69.1 | 0 | 0 | 0 | 111.1 | V13 A15 G40 V42 F58 A62 V63 L356 A359 N360 | V13-F60 HydrophobicContact CB-CD1 4.22Å; V13-F60 HydrophobicContact CG1-CD1 3.66Å; V13-F60 HydrophobicContact CG1-CE1 4.01Å; V13-F60 WeakPolarHBondContact O-CB 3.42Å; A15-F60 HydrophobicContact CB-CD2 3.83Å; A15-F60 HydrophobicContact CB-CE2 4.06Å; A15-F60 HydrophobicContact CB-CG 4.45Å; G40-F60 PolarHBondContact O-N 3.27Å; V42-F60 HydrophobicContact CB-CE2 4.34Å; V42-F60 HydrophobicContact CG2-CD2 3.9Å; V42-F60 HydrophobicContact CG2-CE2 3.92Å; F58-F60 HydrophobicContact CB-CD2 4.48Å; F58-F60 HydrophobicContact CB-CE2 3.61Å; F58-F60 HydrophobicContact CB-CZ 3.8Å; F58-F60 HydrophobicContact CG-CZ 4.47Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 3.31Å; F60-V63 HydrophobicContact CB-CG1 4.22Å; F60-V63 HydrophobicContact CD2-CG1 4.14Å; F60-L356 HydrophobicContact CE2-CD2 3.51Å; F60-L356 HydrophobicContact CZ-CD2 3.67Å; F60-A359 HydrophobicContact CE1-CB 3.62Å; F60-A359 HydrophobicContact CZ-CB 4.01Å; F60-N360 HydrophobicContact CE1-CB 4.33Å | ||
| 61 | D | 96.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 59.4 Ų | 59.4 | 52% | 0.524 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -65.1 | -37.3 | 178.9 | -62.6 | -79.4 | 0 | 0 | 0 | 111.7 | K12 V13 | K12-D61 WeakPolarHBondContact CA-OD2 3.45Å; V13-D61 PolarHBondContact N-OD2 3.42Å; V13-D61 WeakPolarHBondContact O-CB 3.27Å; V13-D61 PolarHBondContact O-N 2.98Å |
| 62 | A | 96.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 56 Ų | 56 | 7% | 0.066 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 156.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | V14 A15 F60 Y64 | V14-A62 VanDerWaalsContact CA-O 3.26Å; V14-A62 WeakPolarHBondContact CA-O 3.28Å; V14-A62 HydrophobicContact CB-CB 4.48Å; V14-A62 WeakPolarHBondContact CB-O 3.43Å; V14-A62 HydrophobicContact CG1-CB 3.8Å; A15-A62 PolarHBondContact N-O 3.33Å; A15-A62 VanDerWaalsContact N-O 3.15Å; F60-A62 VanDerWaalsContact C-N 3.31Å; F60-A62 PolarHBondContact O-N 3.31Å; A62-Y64 HydrophobicContact CB-CE2 4.18Å |
| 63 | V | 97.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.1 | 175.2 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | A15 M35 D36 V37 G40 V42 F60 | A15-V63 HydrophobicContact CB-CG1 4.24Å; A15-V63 CarbonylContact O-C 3.58Å; A15-V63 WeakPolarHBondContact O-CA 3.46Å; M35-V63 HydrophobicContact CB-CG2 4.44Å; D36-V63 WeakPolarHBondContact O-CG2 3.11Å; V37-V63 HydrophobicContact CG2-CG2 4.47Å; G40-V63 WeakPolarHBondContact O-CG1 3.07Å; V42-V63 HydrophobicContact CG2-CB 4.25Å; V42-V63 HydrophobicContact CG2-CG1 3.62Å; F60-V63 HydrophobicContact CB-CG1 4.22Å; F60-V63 HydrophobicContact CD2-CG1 4.14Å |
| 64 | Y | 96.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.7 | -176.6 | -60.4 | -77.7 | 0 | 0 | 0 | 109.3 | V14 A15 R16 C17 A62 S68 D72 L73 T77 | V14-Y64 HydrophobicContact CB-CD2 4.39Å; V14-Y64 HydrophobicContact CB-CE2 3.95Å; V14-Y64 HydrophobicContact CG1-CE2 4.29Å; V14-Y64 HydrophobicContact CG2-CE2 4.12Å; A15-Y64 PolarHBondContact O-N 3.21Å; R16-Y64 CarbonylContact C-O 3.54Å; R16-Y64 VanDerWaalsContact CA-O 3.31Å; R16-Y64 WeakPolarHBondContact CA-O 3.41Å; C17-Y64 PolarHBondContact N-O 2.84Å; A62-Y64 HydrophobicContact CB-CE2 4.18Å; Y64-S68 WeakPolarHBondContact CA-OG 3.19Å; Y64-D72 HydrophobicContact CE1-CB 4.45Å; Y64-L73 HydrophobicContact CD1-CB 4.32Å; Y64-L73 HydrophobicContact CD2-CB 4.48Å; Y64-L73 HydrophobicContact CD2-CD1 3.95Å; Y64-L73 HydrophobicContact CD2-CG 4.26Å; Y64-L73 HydrophobicContact CE1-CB 4.05Å; Y64-L73 HydrophobicContact CE2-CB 4.22Å; Y64-L73 HydrophobicContact CE2-CD1 4.11Å; Y64-L73 HydrophobicContact CE2-CG 3.93Å; Y64-L73 HydrophobicContact CG-CD1 4.43Å; Y64-T77 PolarHBondContact OH-OG1 3.37Å |
| 65 | D | 93.9 | Very high | 94.5 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | trans | -84.2 | -174.1 | 179 | 73.1 | 2.8 | 0 | 0 | 0 | 112.3 | C17 M35 V37 S67 S68 | C17-D65 CarbonylContact O-C 3.54Å; M35-D65 HydrophobicContact CB-CB 4.14Å; M35-D65 HydrophobicContact SD-CB 4.23Å; V37-D65 HydrophobicContact CG2-CB 4.32Å; D65-S67 PolarHBondContact O-N 3.06Å; D65-S67 VanDerWaalsContact O-N 3.15Å; D65-S67 WeakPolarHBondContact OD1-CA 3.47Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 3.49Å; D65-S67 PolarHBondContact OD2-OG 2.96Å; D65-S68 PolarHBondContact N-OG 3.41Å; D65-S68 WeakPolarHBondContact O-CB 3.45Å; D65-S68 PolarHBondContact O-N 3.45Å; D65-S68 VanDerWaalsContact O-N 3.13Å; D65-S68 PolarHBondContact O-OG 3.13Å; D65-S68 PolarHBondContact OD1-N 3.38Å; D65-S68 PolarHBondContact OD1-OG 3.4Å | ||
| 66 | A | 90.8 | Very high | 94.8 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C17 P19 | C17-A66 PolarHBondContact O-N 3.34Å; P19-A66 HydrophobicContact CB-CB 4.04Å |
| 67 | S | 91.7 | Very high | 94.9 | Very high | 95 Ų | 95 | 45.7 Ų | 45.7 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -12.1 | 178.5 | 76.2 | 0 | 0 | 0 | 0 | 113.2 | D65 | D65-S67 PolarHBondContact O-N 3.06Å; D65-S67 VanDerWaalsContact O-N 3.15Å; D65-S67 WeakPolarHBondContact OD1-CA 3.47Å; D65-S67 WeakPolarHBondContact OD1-CB 3.39Å; D65-S67 PolarHBondContact OD1-N 2.91Å; D65-S67 PolarHBondContact OD1-OG 3.49Å; D65-S67 PolarHBondContact OD2-OG 2.96Å |
| 68 | S | 93.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | trans | -72.9 | 132.4 | -175.2 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | Y64 D65 | Y64-S68 WeakPolarHBondContact CA-OG 3.19Å; D65-S68 PolarHBondContact N-OG 3.41Å; D65-S68 WeakPolarHBondContact O-CB 3.45Å; D65-S68 PolarHBondContact O-N 3.45Å; D65-S68 VanDerWaalsContact O-N 3.13Å; D65-S68 PolarHBondContact O-OG 3.13Å; D65-S68 PolarHBondContact OD1-N 3.38Å; D65-S68 PolarHBondContact OD1-OG 3.4Å | ||
| 69 | K | 93.9 | Very high | 95.1 | Very high | 122 Ų | 122 | 45.6 Ų | 45.6 | 53% | 0.53 | 25% | 0.252 | S | S | . | . | trans | -84.4 | 167.4 | -179 | -58.9 | -176.7 | 179.8 | -172.6 | 0 | 111.7 | A71 D72 | K69-A71 VanDerWaalsContact C-N 3.31Å; K69-D72 WeakPolarHBondContact CB-OD2 3.45Å; K69-D72 PolarHBondContact N-OD2 2.89Å | ||
| 70 | Q | 94 | Very high | 95.1 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 2% | 0.023 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -38 | 173.3 | -60.6 | -79 | 48.8 | 0 | 0 | 112 | L73 Y74 Y105 L116 R117 | Q70-L73 PolarHBondContact O-N 3.44Å; Q70-Y74 WeakPolarHBondContact O-CB 3.47Å; Q70-Y74 PolarHBondContact O-N 3.2Å; Q70-Y105 PolarHBondContact NE2-O 2.84Å; Q70-L116 PolarHBondContact NE2-O 2.9Å; Q70-R117 WeakPolarHBondContact CB-O 3.5Å; Q70-R117 WeakPolarHBondContact CG-O 3.45Å |
| 71 | A | 93.7 | Very high | 95.1 | Very high | 44 Ų | 44 | 45 Ų | 45 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K69 L73 Y74 D75 | K69-A71 VanDerWaalsContact C-N 3.31Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 2.65Å; A71-Y74 PolarHBondContact O-N 3.03Å; A71-Y74 VanDerWaalsContact O-N 3.11Å; A71-D75 WeakPolarHBondContact O-CB 3.34Å; A71-D75 PolarHBondContact O-N 3.31Å |
| 72 | D | 94.2 | Very high | 95.1 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.3 | -49.7 | 179.4 | -53 | -27.3 | 0 | 0 | 0 | 110.9 | Y64 K69 Y74 E76 | Y64-D72 HydrophobicContact CE1-CB 4.45Å; K69-D72 WeakPolarHBondContact CB-OD2 3.45Å; K69-D72 PolarHBondContact N-OD2 2.89Å; D72-Y74 VanDerWaalsContact C-N 3.35Å; D72-Y74 PolarHBondContact O-N 3.21Å; D72-E76 VanDerWaalsContact O-CB 3.23Å; D72-E76 WeakPolarHBondContact O-CB 3.3Å; D72-E76 PolarHBondContact O-N 3.44Å; D72-E76 VanDerWaalsContact O-N 3.07Å |
| 73 | L | 95.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 177.1 | -176.5 | 153.9 | 0 | 0 | 0 | 112.2 | Y64 Q70 A71 T77 V78 T106 V119 V339 | Y64-L73 HydrophobicContact CD1-CB 4.32Å; Y64-L73 HydrophobicContact CD2-CB 4.48Å; Y64-L73 HydrophobicContact CD2-CD1 3.95Å; Y64-L73 HydrophobicContact CD2-CG 4.26Å; Y64-L73 HydrophobicContact CE1-CB 4.05Å; Y64-L73 HydrophobicContact CE2-CB 4.22Å; Y64-L73 HydrophobicContact CE2-CD1 4.11Å; Y64-L73 HydrophobicContact CE2-CG 3.93Å; Y64-L73 HydrophobicContact CG-CD1 4.43Å; Q70-L73 PolarHBondContact O-N 3.44Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 2.65Å; L73-T77 WeakPolarHBondContact O-CB 3.15Å; L73-T77 PolarHBondContact O-N 3.01Å; L73-V78 HydrophobicContact CD2-CG2 3.94Å; L73-V78 PolarHBondContact O-N 3.4Å; L73-T106 HydrophobicContact CD1-CG2 3.89Å; L73-T106 HydrophobicContact CD2-CG2 4.26Å; L73-V119 HydrophobicContact CD2-CG2 3.79Å; L73-V339 HydrophobicContact CD1-CG1 4.28Å |
| 74 | Y | 97.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -67.7 | -51.1 | -178 | -173.6 | -90.9 | 0 | 0 | 0 | 111.7 | Q70 A71 D72 V78 R79 N122 A123 H126 | Q70-Y74 WeakPolarHBondContact O-CB 3.47Å; Q70-Y74 PolarHBondContact O-N 3.2Å; A71-Y74 PolarHBondContact O-N 3.03Å; A71-Y74 VanDerWaalsContact O-N 3.11Å; D72-Y74 VanDerWaalsContact C-N 3.35Å; D72-Y74 PolarHBondContact O-N 3.21Å; Y74-V78 HydrophobicContact CD2-CB 4.01Å; Y74-V78 HydrophobicContact CD2-CG1 4.01Å; Y74-V78 HydrophobicContact CE2-CB 4.3Å; Y74-V78 HydrophobicContact CE2-CG1 3.85Å; Y74-V78 CarbonylContact O-C 3.52Å; Y74-V78 WeakPolarHBondContact O-CA 3.5Å; Y74-V78 PolarHBondContact O-N 2.86Å; Y74-R79 HydrophobicContact CE1-CB 4.26Å; Y74-R79 WeakPolarHBondContact O-CB 3.49Å; Y74-R79 PolarHBondContact O-N 2.87Å; Y74-N122 HydrophobicContact CD1-CB 4.11Å; Y74-N122 HydrophobicContact CD2-CB 3.5Å; Y74-N122 VanDerWaalsContact CD2-CB 3.5Å; Y74-N122 HydrophobicContact CE1-CB 4.13Å; Y74-N122 HydrophobicContact CE2-CB 3.49Å; Y74-N122 VanDerWaalsContact CE2-CB 3.49Å; Y74-N122 HydrophobicContact CG-CB 3.82Å; Y74-N122 PolarHBondContact OH-O 2.95Å; Y74-A123 HydrophobicContact CE2-CB 4.31Å; Y74-A123 VanDerWaalsContact OH-CA 3.31Å; Y74-A123 WeakPolarHBondContact OH-CA 3.39Å; Y74-A123 PolarHBondContact OH-N 3.49Å; Y74-H126 HydrophobicContact CE1-CB 4.47Å; Y74-H126 WeakPolarHBondContact OH-CB 3.5Å; Y74-H126 PolarHBondContact OH-ND1 2.95Å; Y74-H126 VanDerWaalsContact OH-ND1 3.16Å |
| 75 | D | 95.3 | Very high | 95.1 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -70.5 | -39.9 | -173.8 | -73.9 | -29.9 | 0 | 0 | 0 | 112.7 | A71 R79 | A71-D75 WeakPolarHBondContact O-CB 3.34Å; A71-D75 PolarHBondContact O-N 3.31Å; D75-R79 IonicContact OD1-CZ 3.9Å; D75-R79 IonicContact OD1-NE 2.85Å; D75-R79 PolarHBondContact OD1-NE 2.71Å; D75-R79 IonicContact OD1-NH2 3.98Å; D75-R79 PolarHBondContact OD1-NH2 2.88Å |
| 76 | E | 94.7 | Very high | 95.1 | Very high | 120 Ų | 120 | 41 Ų | 41 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | I | π-helix | trans | -75.7 | -47.1 | -179.1 | -174.9 | -178.3 | 157.4 | 0 | 0 | 111.9 | D72 | D72-E76 VanDerWaalsContact O-CB 3.23Å; D72-E76 WeakPolarHBondContact O-CB 3.3Å; D72-E76 PolarHBondContact O-N 3.44Å; D72-E76 VanDerWaalsContact O-N 3.07Å |
| 77 | T | 95.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -103.9 | -44.1 | -167.9 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | V14 Y64 L73 I337 | V14-T77 HydrophobicContact CG1-CG2 3.7Å; V14-T77 HydrophobicContact CG2-CG2 4.26Å; Y64-T77 PolarHBondContact OH-OG1 3.37Å; L73-T77 WeakPolarHBondContact O-CB 3.15Å; L73-T77 PolarHBondContact O-N 3.01Å; T77-I337 HydrophobicContact CG2-CD1 4.02Å; T77-I337 HydrophobicContact CG2-CG2 3.76Å; T77-I337 WeakPolarHBondContact O-CD1 3.35Å |
| 78 | V | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -91.1 | -38.1 | -168.3 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | L73 Y74 L81 I82 V93 V119 | L73-V78 HydrophobicContact CD2-CG2 3.94Å; L73-V78 PolarHBondContact O-N 3.4Å; Y74-V78 HydrophobicContact CD2-CB 4.01Å; Y74-V78 HydrophobicContact CD2-CG1 4.01Å; Y74-V78 HydrophobicContact CE2-CB 4.3Å; Y74-V78 HydrophobicContact CE2-CG1 3.85Å; Y74-V78 CarbonylContact O-C 3.52Å; Y74-V78 WeakPolarHBondContact O-CA 3.5Å; Y74-V78 PolarHBondContact O-N 2.86Å; V78-L81 WeakPolarHBondContact O-CA 3.49Å; V78-L81 VanDerWaalsContact O-CB 3.25Å; V78-L81 WeakPolarHBondContact O-CB 3.35Å; V78-L81 PolarHBondContact O-N 2.84Å; V78-I82 HydrophobicContact CG1-CD1 4.15Å; V78-I82 HydrophobicContact CG1-CG1 3.96Å; V78-I82 PolarHBondContact O-N 3Å; V78-I82 VanDerWaalsContact O-N 3.12Å; V78-V93 HydrophobicContact CG1-CG2 4.22Å; V78-V119 HydrophobicContact CG1-CG1 3.9Å; V78-V119 HydrophobicContact CG2-CG1 4.43Å; V78-V119 HydrophobicContact CG2-CG2 4.08Å |
| 79 | R | 96.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 39.8 Ų | 39.8 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -50.7 | -47.5 | -178.4 | 173.1 | -178.6 | -65.9 | -78.7 | 3.3 | 112.9 | Y74 D75 L81 I82 D83 H126 | Y74-R79 HydrophobicContact CE1-CB 4.26Å; Y74-R79 WeakPolarHBondContact O-CB 3.49Å; Y74-R79 PolarHBondContact O-N 2.87Å; D75-R79 IonicContact OD1-CZ 3.9Å; D75-R79 IonicContact OD1-NE 2.85Å; D75-R79 PolarHBondContact OD1-NE 2.71Å; D75-R79 IonicContact OD1-NH2 3.98Å; D75-R79 PolarHBondContact OD1-NH2 2.88Å; R79-L81 PolarHBondContact O-N 2.95Å; R79-I82 PolarHBondContact O-N 3.38Å; R79-I82 VanDerWaalsContact O-N 3.08Å; R79-D83 PolarHBondContact O-N 2.77Å; R79-H126 PolarHBondContact NH1-NE2 2.8Å |
| 80 | P | 96.7 | Very high | 95.4 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62 | -27.9 | 177.1 | -22.8 | 34.1 | 0 | 0 | 0 | 114.3 | S84 | P80-S84 PolarHBondContact O-N 2.8Å; P80-S84 PolarHBondContact O-OG 3.08Å |
| 81 | L | 96.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.1 | -44.9 | 174.3 | -179.9 | 71.7 | 0 | 0 | 0 | 110.7 | V78 R79 D83 S84 V85 V93 L242 K335 I337 | V78-L81 WeakPolarHBondContact O-CA 3.49Å; V78-L81 VanDerWaalsContact O-CB 3.25Å; V78-L81 WeakPolarHBondContact O-CB 3.35Å; V78-L81 PolarHBondContact O-N 2.84Å; R79-L81 PolarHBondContact O-N 2.95Å; L81-D83 VanDerWaalsContact C-N 3.32Å; L81-D83 PolarHBondContact O-N 2.94Å; L81-S84 WeakPolarHBondContact O-CA 3.34Å; L81-S84 VanDerWaalsContact O-CB 3.31Å; L81-S84 WeakPolarHBondContact O-CB 3.3Å; L81-S84 PolarHBondContact O-N 3.49Å; L81-S84 VanDerWaalsContact O-N 3.1Å; L81-V85 PolarHBondContact O-N 3.17Å; L81-V93 HydrophobicContact CD2-CG2 3.34Å; L81-L242 HydrophobicContact CD2-CD1 4.44Å; L81-K335 HydrophobicContact CD1-CB 3.3Å; L81-K335 HydrophobicContact CD1-CD 4.45Å; L81-K335 HydrophobicContact CD1-CG 4.48Å; L81-K335 WeakPolarHBondContact CD1-O 3.5Å; L81-I337 HydrophobicContact CB-CD1 3.69Å; L81-I337 HydrophobicContact CD2-CD1 3.71Å; L81-I337 HydrophobicContact CD2-CG1 4.16Å; L81-I337 HydrophobicContact CG-CD1 4.21Å |
| 82 | I | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.2 | -53.8 | -58 | 0 | 0 | 0 | 110.6 | V78 R79 S84 V85 L86 A123 H126 I127 L242 | V78-I82 HydrophobicContact CG1-CD1 4.15Å; V78-I82 HydrophobicContact CG1-CG1 3.96Å; V78-I82 PolarHBondContact O-N 3Å; V78-I82 VanDerWaalsContact O-N 3.12Å; R79-I82 PolarHBondContact O-N 3.38Å; R79-I82 VanDerWaalsContact O-N 3.08Å; I82-S84 PolarHBondContact O-N 2.81Å; I82-V85 WeakPolarHBondContact O-CB 3.49Å; I82-V85 PolarHBondContact O-N 2.85Å; I82-L86 HydrophobicContact CG2-CD1 4.26Å; I82-L86 WeakPolarHBondContact O-CG 3.41Å; I82-L86 PolarHBondContact O-N 2.93Å; I82-A123 HydrophobicContact CD1-CB 4.01Å; I82-H126 HydrophobicContact CG2-CB 4.47Å; I82-H126 WeakPolarHBondContact CG2-ND1 3.32Å; I82-I127 HydrophobicContact CG2-CD1 4.47Å; I82-I127 HydrophobicContact CG2-CG1 3.83Å; I82-L242 HydrophobicContact CD1-CD1 3.88Å; I82-L242 HydrophobicContact CD1-CD2 3.46Å; I82-L242 VanDerWaalsContact CD1-CD2 3.46Å; I82-L242 HydrophobicContact CD1-CG 4.34Å |
| 83 | D | 96.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 29% | 0.294 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.6 | -40.2 | 173.3 | -66.4 | -32.4 | 0 | 0 | 0 | 111.7 | R79 L81 L86 Q87 H126 | R79-D83 PolarHBondContact O-N 2.77Å; L81-D83 VanDerWaalsContact C-N 3.32Å; L81-D83 PolarHBondContact O-N 2.94Å; D83-L86 PolarHBondContact O-N 3.05Å; D83-Q87 WeakPolarHBondContact O-CG 3.42Å; D83-Q87 PolarHBondContact O-N 3.26Å; D83-H126 IonicContact OD1-CE1 3.83Å; D83-H126 PolarHBondContact OD1-CE1 3.09Å; D83-H126 IonicContact OD1-NE2 2.84Å; D83-H126 PolarHBondContact OD1-NE2 3.47Å |
| 84 | S | 96.1 | Very high | 96 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | P80 L81 I82 Q87 G88 F89 K335 | P80-S84 PolarHBondContact O-N 2.8Å; P80-S84 PolarHBondContact O-OG 3.08Å; L81-S84 WeakPolarHBondContact O-CA 3.34Å; L81-S84 VanDerWaalsContact O-CB 3.31Å; L81-S84 WeakPolarHBondContact O-CB 3.3Å; L81-S84 PolarHBondContact O-N 3.49Å; L81-S84 VanDerWaalsContact O-N 3.1Å; I82-S84 PolarHBondContact O-N 2.81Å; S84-Q87 WeakPolarHBondContact O-CB 3.34Å; S84-Q87 PolarHBondContact O-N 3.4Å; S84-G88 PolarHBondContact O-N 3.25Å; S84-F89 WeakPolarHBondContact O-CB 3.44Å; S84-F89 VanDerWaalsContact O-CD2 3.32Å; S84-F89 WeakPolarHBondContact O-CD2 3.47Å; S84-F89 PolarHBondContact O-N 3.36Å; S84-K335 PolarHBondContact OG-NZ 3.47Å |
| 85 | V | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111.2 | L81 I82 Q87 G88 F89 G240 L242 | L81-V85 PolarHBondContact O-N 3.17Å; I82-V85 WeakPolarHBondContact O-CB 3.49Å; I82-V85 PolarHBondContact O-N 2.85Å; V85-Q87 PolarHBondContact O-N 3.09Å; V85-G88 WeakPolarHBondContact O-CA 3.47Å; V85-G88 PolarHBondContact O-N 3.13Å; V85-F89 WeakPolarHBondContact CA-O 3.4Å; V85-G240 WeakPolarHBondContact O-CA 3.45Å; V85-L242 HydrophobicContact CG1-CB 4.02Å; V85-L242 HydrophobicContact CG2-CB 4.15Å; V85-L242 HydrophobicContact CG2-CD1 4.14Å |
| 86 | L | 94.5 | Very high | 95.9 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.9 | -26.9 | 176.7 | -69.1 | 164.2 | 0 | 0 | 0 | 112.5 | I82 D83 G88 I127 H130 V224 | I82-L86 HydrophobicContact CG2-CD1 4.26Å; I82-L86 WeakPolarHBondContact O-CG 3.41Å; I82-L86 PolarHBondContact O-N 2.93Å; D83-L86 PolarHBondContact O-N 3.05Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-I127 HydrophobicContact CD2-CG1 4.33Å; L86-I127 HydrophobicContact CD2-CG2 4.2Å; L86-H130 HydrophobicContact CD1-CB 3.69Å; L86-H130 HydrophobicContact CD2-CB 4.48Å; L86-V224 HydrophobicContact CD2-CG1 4.29Å |
| 87 | Q | 92.5 | Very high | 95.9 | Very high | 113 Ų | 113 | 20.3 Ų | 20.3 | 53% | 0.528 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -3.5 | 172.5 | -68.1 | 171.9 | 8.2 | 0 | 0 | 114 | D83 S84 V85 F89 R238 V371 | D83-Q87 WeakPolarHBondContact O-CG 3.42Å; D83-Q87 PolarHBondContact O-N 3.26Å; S84-Q87 WeakPolarHBondContact O-CB 3.34Å; S84-Q87 PolarHBondContact O-N 3.4Å; V85-Q87 PolarHBondContact O-N 3.09Å; Q87-F89 HydrophobicContact CB-CD2 4.32Å; Q87-R238 WeakPolarHBondContact O-CD 3.41Å; Q87-V371 WeakPolarHBondContact O-CG1 3.32Å |
| 88 | G | 92.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | 12.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S84 V85 L86 V239 N372 | S84-G88 PolarHBondContact O-N 3.25Å; V85-G88 WeakPolarHBondContact O-CA 3.47Å; V85-G88 PolarHBondContact O-N 3.13Å; L86-G88 VanDerWaalsContact C-N 3.3Å; G88-V239 VanDerWaalsContact O-O 3.13Å; G88-N372 PolarHBondContact O-N 2.98Å; G88-N372 PolarHBondContact O-ND2 3.34Å |
| 89 | F | 94.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 15% | 0.145 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 155.1 | 169.9 | -69.4 | -89.9 | 0 | 0 | 0 | 111.5 | S84 V85 Q87 G240 P369 R370 V371 | S84-F89 WeakPolarHBondContact O-CB 3.44Å; S84-F89 VanDerWaalsContact O-CD2 3.32Å; S84-F89 WeakPolarHBondContact O-CD2 3.47Å; S84-F89 PolarHBondContact O-N 3.36Å; V85-F89 WeakPolarHBondContact CA-O 3.4Å; Q87-F89 HydrophobicContact CB-CD2 4.32Å; F89-G240 WeakPolarHBondContact O-CA 3.47Å; F89-P369 HydrophobicContact CD1-CB 3.96Å; F89-P369 HydrophobicContact CE1-CB 4.31Å; F89-R370 VanDerWaalsContact CD1-O 3.29Å; F89-R370 WeakPolarHBondContact CD1-O 3.41Å; F89-R370 VanDerWaalsContact CE1-C 3.47Å; F89-V371 HydrophobicContact CD1-CG2 4.4Å; F89-V371 HydrophobicContact CD2-CG2 4.05Å; F89-V371 HydrophobicContact CE1-CG2 3.88Å; F89-V371 HydrophobicContact CE2-CG2 3.48Å; F89-V371 VanDerWaalsContact CE2-CG2 3.48Å; F89-V371 HydrophobicContact CG-CG2 4.49Å; F89-V371 HydrophobicContact CZ-CG2 3.38Å |
| 90 | N | 95 | Very high | 94.7 | Very high | 24 Ų | 24 | 21.5 Ų | 21.5 | 13% | 0.128 | 13% | 0.127 | C | C | . | . | trans | -77.8 | 137.1 | 162.6 | -60.9 | -36.5 | 0 | 0 | 0 | 110 | K241 N333 A334 K335 N372 | N90-K241 CarbonylContact C-O 3.59Å; N90-K241 WeakPolarHBondContact CA-O 3.43Å; N90-K241 WeakPolarHBondContact OD1-CB 3.45Å; N90-N333 VanDerWaalsContact CB-O 3.32Å; N90-N333 WeakPolarHBondContact CB-O 3.47Å; N90-N333 PolarHBondContact ND2-O 3.04Å; N90-A334 HydrophobicContact CB-CB 3.74Å; N90-A334 CarbonylContact O-C 3.58Å; N90-A334 WeakPolarHBondContact O-CA 3.35Å; N90-K335 PolarHBondContact O-N 2.87Å; N90-N372 VanDerWaalsContact CG-ND2 3.34Å; N90-N372 PolarHBondContact ND2-ND2 3.46Å; N90-N372 PolarHBondContact OD1-ND2 3.02Å | ||
| 91 | G | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 141.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | K241 L242 N243 K335 | G91-K241 PolarHBondContact N-O 3.44Å; G91-L242 CarbonylContact O-C 3.58Å; G91-L242 VanDerWaalsContact O-CA 3.26Å; G91-L242 WeakPolarHBondContact O-CA 3.35Å; G91-N243 PolarHBondContact O-N 3Å; G91-K335 CarbonylContact C-O 3.59Å; G91-K335 VanDerWaalsContact CA-O 3.29Å; G91-K335 WeakPolarHBondContact CA-O 3.38Å |
| 92 | T | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 129.1 | 174.4 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | F94 N243 V245 L326 S329 K335 T336 I337 | T92-F94 HydrophobicContact CG2-CD1 4.3Å; T92-N243 CarbonylContact C-O 3.53Å; T92-N243 VanDerWaalsContact CA-O 3.32Å; T92-N243 WeakPolarHBondContact CA-O 3.42Å; T92-N243 HydrophobicContact CG2-CB 4.16Å; T92-N243 PolarHBondContact OG1-ND2 3.05Å; T92-N243 VanDerWaalsContact OG1-ND2 3.14Å; T92-V245 HydrophobicContact CG2-CG2 4.26Å; T92-L326 HydrophobicContact CG2-CD2 4.33Å; T92-S329 WeakPolarHBondContact CB-OG 3.16Å; T92-S329 PolarHBondContact OG1-OG 2.94Å; T92-K335 PolarHBondContact N-O 3.02Å; T92-T336 HydrophobicContact CG2-CG2 4.37Å; T92-T336 CarbonylContact O-C 3.19Å; T92-T336 WeakPolarHBondContact O-CA 3.39Å; T92-I337 PolarHBondContact O-N 3.14Å |
| 93 | V | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.8 | 166.7 | -173.5 | 0 | 0 | 0 | 0 | 107.7 | V78 L81 M107 V119 N243 L244 V245 I337 V339 | V78-V93 HydrophobicContact CG1-CG2 4.22Å; L81-V93 HydrophobicContact CD2-CG2 3.34Å; V93-M107 HydrophobicContact CG1-CE 4.45Å; V93-M107 HydrophobicContact CG1-SD 4.21Å; V93-V119 HydrophobicContact CG1-CG1 4.45Å; V93-N243 PolarHBondContact N-O 3.27Å; V93-L244 HydrophobicContact CB-CD2 4Å; V93-L244 HydrophobicContact CG2-CD2 4.11Å; V93-V245 PolarHBondContact O-N 3.28Å; V93-I337 WeakPolarHBondContact CA-O 3.49Å; V93-I337 HydrophobicContact CG2-CB 4.43Å; V93-V339 HydrophobicContact CG1-CG2 4.24Å |
| 94 | F | 97.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134 | 174.5 | 70.1 | -90.3 | 0 | 0 | 0 | 112.2 | L11 T92 V245 L247 L330 T336 I337 M338 V339 | L11-F94 HydrophobicContact CD1-CE1 4.48Å; T92-F94 HydrophobicContact CG2-CD1 4.3Å; F94-V245 WeakPolarHBondContact CA-O 3.43Å; F94-V245 HydrophobicContact CB-CB 3.61Å; F94-V245 HydrophobicContact CB-CG1 4.03Å; F94-V245 HydrophobicContact CB-CG2 4.27Å; F94-L247 HydrophobicContact CD2-CD1 3.82Å; F94-L247 HydrophobicContact CE2-CD1 4.49Å; F94-L330 HydrophobicContact CE1-CD2 4.26Å; F94-L330 HydrophobicContact CZ-CD2 4.44Å; F94-T336 HydrophobicContact CD1-CG2 3.96Å; F94-T336 HydrophobicContact CE1-CG2 3.62Å; F94-I337 PolarHBondContact N-O 3.39Å; F94-M338 HydrophobicContact CD2-CG 4.18Å; F94-M338 HydrophobicContact CE1-CB 3.9Å; F94-M338 HydrophobicContact CE1-CG 4.44Å; F94-M338 HydrophobicContact CE2-CB 3.84Å; F94-M338 HydrophobicContact CE2-CE 4.49Å; F94-M338 HydrophobicContact CE2-CG 3.44Å; F94-M338 VanDerWaalsContact CE2-CG 3.44Å; F94-M338 HydrophobicContact CE2-SD 3.9Å; F94-M338 HydrophobicContact CZ-CB 3.49Å; F94-M338 VanDerWaalsContact CZ-CB 3.49Å; F94-M338 HydrophobicContact CZ-CG 3.61Å; F94-M338 HydrophobicContact CZ-SD 3.98Å; F94-V339 PolarHBondContact O-N 3.39Å |
| 95 | A | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | K103 M107 V245 L247 V339 | A95-K103 HydrophobicContact CB-CB 3.94Å; A95-K103 HydrophobicContact CB-CG 4.22Å; A95-M107 HydrophobicContact CB-CG 3.67Å; A95-M107 HydrophobicContact CB-SD 4Å; A95-V245 PolarHBondContact N-O 2.98Å; A95-L247 WeakPolarHBondContact O-CB 3.17Å; A95-L247 WeakPolarHBondContact O-CG 3.26Å; A95-L247 PolarHBondContact O-N 3.45Å; A95-V339 WeakPolarHBondContact CA-O 3.48Å |
| 96 | Y | 95.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 24 Ų | 24 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145 | -177.7 | 179.7 | -93 | 0 | 0 | 0 | 110.9 | L247 L297 M338 V339 A340 T341 T355 F358 | Y96-L247 HydrophobicContact CD2-CD1 3.83Å; Y96-L297 HydrophobicContact CD2-CD2 4.44Å; Y96-L297 HydrophobicContact CE2-CD2 4.13Å; Y96-M338 HydrophobicContact CD1-CE 3.53Å; Y96-M338 HydrophobicContact CE1-CE 4.45Å; Y96-M338 HydrophobicContact CG-CE 3.84Å; Y96-V339 PolarHBondContact N-O 3.04Å; Y96-A340 WeakPolarHBondContact O-CA 3.12Å; Y96-T341 PolarHBondContact O-N 2.94Å; Y96-T341 PolarHBondContact O-OG1 2.92Å; Y96-T355 HydrophobicContact CD1-CG2 4Å; Y96-T355 HydrophobicContact CE1-CG2 4.19Å; Y96-F358 AromaticContact CD1-CD1 3.91Å; Y96-F358 HydrophobicContact CD1-CD1 3.91Å; Y96-F358 HydrophobicContact CD1-CE1 4.1Å; Y96-F358 HydrophobicContact CD1-CG 4.46Å; Y96-F358 HydrophobicContact CD2-CE1 4.15Å; Y96-F358 HydrophobicContact CD2-CZ 4.28Å; Y96-F358 HydrophobicContact CE1-CB 4.05Å; Y96-F358 AromaticContact CE1-CD1 3.68Å; Y96-F358 HydrophobicContact CE1-CD1 3.68Å; Y96-F358 HydrophobicContact CE1-CD2 4.29Å; Y96-F358 HydrophobicContact CE1-CE1 4.05Å; Y96-F358 AromaticContact CE1-CG 3.78Å; Y96-F358 HydrophobicContact CE1-CG 3.78Å; Y96-F358 HydrophobicContact CE1-CZ 4.48Å; Y96-F358 HydrophobicContact CE2-CD1 4.49Å; Y96-F358 HydrophobicContact CE2-CE1 4.08Å; Y96-F358 HydrophobicContact CE2-CE2 4.19Å; Y96-F358 AromaticContact CE2-CZ 3.89Å; Y96-F358 HydrophobicContact CE2-CZ 3.89Å; Y96-F358 HydrophobicContact CG-CD1 4.42Å; Y96-F358 HydrophobicContact CG-CE1 4.16Å; Y96-F358 AromaticContact CZ-CD1 3.99Å; Y96-F358 AromaticContact CZ-CD2 3.95Å; Y96-F358 AromaticContact CZ-CE2 3.99Å; Y96-F358 AromaticContact CZ-CG 3.92Å |
| 97 | G | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 148.2 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K103 S250 | G97-K103 WeakPolarHBondContact O-CE 3.4Å; G97-K103 PolarHBondContact O-NZ 2.87Å; G97-S250 PolarHBondContact O-N 3.35Å; G97-S250 VanDerWaalsContact O-N 3.1Å; G97-S250 PolarHBondContact O-OG 3.4Å |
| 98 | Q | 90.2 | Very high | 93.7 | Very high | 30 Ų | 30 | 19.5 Ų | 19.5 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -62.6 | 154.4 | 179.1 | 171.3 | -178.7 | 51 | 0 | 0 | 111.9 | G100 T101 K103 S250 E251 S348 E351 | Q98-G100 PolarHBondContact O-N 3.36Å; Q98-T101 HydrophobicContact CB-CG2 3.7Å; Q98-T101 HydrophobicContact CG-CG2 4.35Å; Q98-T101 WeakPolarHBondContact O-CG2 3.4Å; Q98-T101 PolarHBondContact O-N 2.89Å; Q98-T101 PolarHBondContact O-OG1 3.17Å; Q98-K103 PolarHBondContact O-NZ 3.45Å; Q98-S250 PolarHBondContact N-OG 2.69Å; Q98-S250 VanDerWaalsContact N-OG 3.13Å; Q98-E251 WeakPolarHBondContact CA-OE2 3.47Å; Q98-E251 HydrophobicContact CG-CB 4.22Å; Q98-S348 PolarHBondContact OE1-OG 3.26Å; Q98-E351 HydrophobicContact CB-CB 4.17Å; Q98-E351 HydrophobicContact CG-CB 4.47Å |
| 99 | T | 88.2 | Confident | 93.6 | Very high | 44 Ų | 44 | 20.3 Ų | 20.3 | 27% | 0.27 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 136.5 | 170.7 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | T101 S214 G249 E251 | T99-T101 VanDerWaalsContact C-N 3.3Å; T99-T101 PolarHBondContact O-N 3.43Å; T99-S214 WeakPolarHBondContact OG1-CB 3.36Å; T99-G249 WeakPolarHBondContact OG1-CA 3.42Å; T99-E251 WeakPolarHBondContact CB-OE1 3.43Å; T99-E251 PolarHBondContact N-OE2 2.83Å; T99-E251 VanDerWaalsContact OG1-CD 3.29Å; T99-E251 PolarHBondContact OG1-OE1 3.24Å; T99-E251 PolarHBondContact OG1-OE2 3.12Å |
| 100 | G | 85.9 | Confident | 93.3 | Very high | 55 Ų | 55 | 21.2 Ų | 21.2 | 57% | 0.567 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 4.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R18 Q98 G102 | R18-G100 PolarHBondContact NE-O 3.23Å; Q98-G100 PolarHBondContact O-N 3.36Å; G100-G102 VanDerWaalsContact C-N 3.35Å |
| 101 | T | 90.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -81.5 | -12.2 | 173.6 | 59.6 | 0 | 0 | 0 | 0 | 114 | Q98 T99 T341 | Q98-T101 HydrophobicContact CB-CG2 3.7Å; Q98-T101 HydrophobicContact CG-CG2 4.35Å; Q98-T101 WeakPolarHBondContact O-CG2 3.4Å; Q98-T101 PolarHBondContact O-N 2.89Å; Q98-T101 PolarHBondContact O-OG1 3.17Å; T99-T101 VanDerWaalsContact C-N 3.3Å; T99-T101 PolarHBondContact O-N 3.43Å; T101-T341 WeakPolarHBondContact CB-O 3.43Å; T101-T341 WeakPolarHBondContact OG1-CB 3.4Å; T101-T341 PolarHBondContact OG1-O 3.43Å; T101-T341 PolarHBondContact OG1-OG1 3.14Å |
| 102 | G | 91.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 112.4 | 23.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G100 Y105 T106 | G100-G102 VanDerWaalsContact C-N 3.35Å; G102-Y105 PolarHBondContact O-N 2.96Å; G102-T106 WeakPolarHBondContact O-CB 3.49Å; G102-T106 PolarHBondContact O-N 3.32Å; G102-T106 PolarHBondContact O-OG1 3.39Å |
| 103 | K | 93.8 | Very high | 91.4 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.5 | -62.5 | 173.9 | -62.9 | -174.5 | -65.9 | -73.4 | 0 | 112.6 | A95 G97 Q98 Y105 T106 M107 D246 L247 A248 T341 | A95-K103 HydrophobicContact CB-CB 3.94Å; A95-K103 HydrophobicContact CB-CG 4.22Å; G97-K103 WeakPolarHBondContact O-CE 3.4Å; G97-K103 PolarHBondContact O-NZ 2.87Å; Q98-K103 PolarHBondContact O-NZ 3.45Å; K103-Y105 VanDerWaalsContact C-N 3.29Å; K103-Y105 PolarHBondContact O-N 2.9Å; K103-T106 WeakPolarHBondContact O-CB 3.28Å; K103-T106 PolarHBondContact O-N 3.1Å; K103-M107 PolarHBondContact O-N 2.95Å; K103-D246 WeakPolarHBondContact CB-OD1 3.5Å; K103-L247 WeakPolarHBondContact CD-O 3.48Å; K103-L247 WeakPolarHBondContact CE-O 3.5Å; K103-A248 WeakPolarHBondContact CE-O 3.24Å; K103-T341 HydrophobicContact CG-CG2 4.41Å; K103-T341 WeakPolarHBondContact CG-OG1 3.26Å |
| 104 | T | 92 | Very high | 90.8 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 34% | 0.337 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.9 | -35.4 | 177.8 | -48 | 0 | 0 | 0 | 0 | 112.3 | T106 M107 Q108 G109 D246 | T104-T106 VanDerWaalsContact C-N 3.3Å; T104-T106 PolarHBondContact O-N 3.32Å; T104-M107 PolarHBondContact O-N 2.91Å; T104-Q108 HydrophobicContact CG2-CB 4.46Å; T104-Q108 HydrophobicContact CG2-CG 4.18Å; T104-Q108 WeakPolarHBondContact O-CB 3.34Å; T104-Q108 PolarHBondContact O-N 2.71Å; T104-G109 PolarHBondContact O-N 3.41Å; T104-D246 WeakPolarHBondContact CA-OD2 3.42Å; T104-D246 WeakPolarHBondContact CB-OD2 3.49Å; T104-D246 PolarHBondContact N-OD1 3.46Å; T104-D246 PolarHBondContact OG1-OD2 3.2Å |
| 105 | Y | 93.6 | Very high | 90.4 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 38% | 0.376 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -36.4 | 173.5 | 178.8 | -100.7 | 0 | 0 | 0 | 112.2 | Q70 G102 K103 G109 | Q70-Y105 PolarHBondContact NE2-O 2.84Å; G102-Y105 PolarHBondContact O-N 2.96Å; K103-Y105 VanDerWaalsContact C-N 3.29Å; K103-Y105 PolarHBondContact O-N 2.9Å; Y105-G109 WeakPolarHBondContact O-CA 3.49Å; Y105-G109 PolarHBondContact O-N 3.16Å |
| 106 | T | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.6 | -42.1 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | R16 L73 G102 K103 T104 G118 V119 V339 | R16-T106 PolarHBondContact NH1-OG1 2.63Å; L73-T106 HydrophobicContact CD1-CG2 3.89Å; L73-T106 HydrophobicContact CD2-CG2 4.26Å; G102-T106 WeakPolarHBondContact O-CB 3.49Å; G102-T106 PolarHBondContact O-N 3.32Å; G102-T106 PolarHBondContact O-OG1 3.39Å; K103-T106 WeakPolarHBondContact O-CB 3.28Å; K103-T106 PolarHBondContact O-N 3.1Å; T104-T106 VanDerWaalsContact C-N 3.3Å; T104-T106 PolarHBondContact O-N 3.32Å; T106-G118 CarbonylContact O-C 3.58Å; T106-G118 VanDerWaalsContact O-CA 3.28Å; T106-G118 WeakPolarHBondContact O-CA 3.49Å; T106-V119 HydrophobicContact CG2-CG2 4.4Å; T106-V119 PolarHBondContact O-N 3.4Å; T106-V339 HydrophobicContact CG2-CG1 4.06Å |
| 107 | M | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.6 | -49 | -177.2 | -65.2 | -56.3 | -66.1 | 0 | 0 | 112.7 | V93 A95 K103 T104 V119 I120 L244 D246 | V93-M107 HydrophobicContact CG1-CE 4.45Å; V93-M107 HydrophobicContact CG1-SD 4.21Å; A95-M107 HydrophobicContact CB-CG 3.67Å; A95-M107 HydrophobicContact CB-SD 4Å; K103-M107 PolarHBondContact O-N 2.95Å; T104-M107 PolarHBondContact O-N 2.91Å; M107-V119 PolarHBondContact O-N 2.82Å; M107-V119 VanDerWaalsContact O-N 3.15Å; M107-I120 HydrophobicContact CB-CD1 4.01Å; M107-I120 HydrophobicContact CE-CD1 4.38Å; M107-I120 HydrophobicContact CE-CG1 4.28Å; M107-I120 VanDerWaalsContact O-CB 3.3Å; M107-I120 WeakPolarHBondContact O-CB 3.26Å; M107-I120 WeakPolarHBondContact O-CD1 3.46Å; M107-I120 VanDerWaalsContact O-CG1 3.22Å; M107-I120 WeakPolarHBondContact O-CG1 3.18Å; M107-I120 PolarHBondContact O-N 3.46Å; M107-L244 HydrophobicContact CE-CB 3.79Å; M107-L244 HydrophobicContact CE-CD2 4.29Å; M107-D246 HydrophobicContact CB-CB 4.43Å; M107-D246 HydrophobicContact CG-CB 4.25Å |
| 108 | Q | 92.9 | Very high | 90.2 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -47.4 | -178 | -55 | -166.7 | 1 | 0 | 0 | 112 | T104 G118 I120 P121 M195 N199 | T104-Q108 HydrophobicContact CG2-CB 4.46Å; T104-Q108 HydrophobicContact CG2-CG 4.18Å; T104-Q108 WeakPolarHBondContact O-CB 3.34Å; T104-Q108 PolarHBondContact O-N 2.71Å; Q108-G118 WeakPolarHBondContact O-CA 3.47Å; Q108-G118 PolarHBondContact O-N 2.91Å; Q108-I120 HydrophobicContact CG-CD1 4.07Å; Q108-P121 WeakPolarHBondContact O-CG 3.44Å; Q108-M195 HydrophobicContact CB-CE 4.34Å; Q108-M195 HydrophobicContact CG-CE 3.62Å; Q108-N199 PolarHBondContact NE2-OD1 3.44Å |
| 109 | G | 90.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | 63.1 | -153.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T104 Y105 L116 | T104-G109 PolarHBondContact O-N 3.41Å; Y105-G109 WeakPolarHBondContact O-CA 3.49Å; Y105-G109 PolarHBondContact O-N 3.16Å; G109-L116 VanDerWaalsContact CA-O 3.29Å; G109-L116 WeakPolarHBondContact CA-O 3.07Å |
| 110 | T | 86.8 | Confident | 90.9 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | trans | -105.3 | 122.5 | 176.7 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | V112 L116 R117 | T110-V112 HydrophobicContact CG2-CB 4.41Å; T110-L116 PolarHBondContact N-O 3.4Å; T110-R117 WeakPolarHBondContact O-CG 3.47Å; T110-R117 PolarHBondContact O-N 3.19Å | ||
| 111 | W | 80.8 | Confident | 91.4 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -70.7 | -35.1 | -175.8 | -68.3 | 82.6 | 0 | 0 | 0 | 113.8 | R117 P121 F124 E192 M195 | W111-R117 PolarHBondContact O-NE 3.43Å; W111-R117 VanDerWaalsContact O-NE 3.16Å; W111-P121 HydrophobicContact CE3-CB 4Å; W111-P121 HydrophobicContact CH2-CB 3.65Å; W111-P121 HydrophobicContact CH2-CG 4.05Å; W111-P121 HydrophobicContact CZ2-CB 4.23Å; W111-P121 HydrophobicContact CZ2-CG 4.13Å; W111-P121 HydrophobicContact CZ3-CB 3.55Å; W111-P121 HydrophobicContact CZ3-CG 4.31Å; W111-F124 HydrophobicContact CH2-CD2 4.09Å; W111-F124 AromaticContact CH2-CE2 3.71Å; W111-F124 HydrophobicContact CH2-CE2 3.71Å; W111-F124 HydrophobicContact CZ3-CD2 4.29Å; W111-F124 HydrophobicContact CZ3-CE2 4.28Å; W111-E192 HydrophobicContact CE3-CG 3.97Å; W111-E192 HydrophobicContact CZ3-CB 4.37Å; W111-E192 HydrophobicContact CZ3-CG 3.76Å; W111-M195 HydrophobicContact CH2-CE 4.34Å; W111-M195 HydrophobicContact CH2-SD 3.49Å; W111-M195 WeakPolarHBondContact CH2-SD 3.4Å; W111-M195 HydrophobicContact CZ2-CE 3.56Å; W111-M195 HydrophobicContact CZ2-CG 4.44Å; W111-M195 HydrophobicContact CZ2-SD 3.29Å; W111-M195 WeakPolarHBondContact CZ2-SD 3.45Å |
| 112 | V | 81.4 | Confident | 91.7 | Very high | 129 Ų | 129 | 44.1 Ų | 44.1 | 78% | 0.782 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -68.1 | -36.9 | -174.7 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | T110 P114 | T110-V112 HydrophobicContact CG2-CB 4.41Å; V112-P114 WeakPolarHBondContact O-CD 3.36Å |
| 113 | E | 87.5 | Confident | 91.9 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -103.7 | 111.2 | -176.1 | -70.8 | 178.2 | -141.5 | 0 | 0 | 109.7 | E115 L116 R117 | E113-E115 PolarHBondContact O-N 3.41Å; E113-E115 VanDerWaalsContact O-N 3.15Å; E113-L116 HydrophobicContact CB-CB 4.09Å; E113-L116 HydrophobicContact CB-CD1 4.25Å; E113-L116 HydrophobicContact CB-CG 4.06Å; E113-L116 PolarHBondContact O-N 2.87Å; E113-L116 WeakPolarHBondContact OE2-CD1 3.41Å; E113-R117 PolarHBondContact O-N 3.05Å |
| 114 | P | 86.1 | Confident | 92.1 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -55.3 | -35.7 | -176.3 | -27.9 | 35.7 | 0 | 0 | 0 | 113.9 | V112 L116 R117 | V112-P114 WeakPolarHBondContact O-CD 3.36Å; P114-L116 VanDerWaalsContact C-N 3.26Å; P114-L116 PolarHBondContact O-N 3.1Å; P114-R117 WeakPolarHBondContact O-CB 3.32Å; P114-R117 PolarHBondContact O-N 2.86Å |
| 115 | E | 88.8 | Confident | 92.2 | Very high | 147 Ų | 147 | 43.9 Ų | 43.9 | 69% | 0.687 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -69.3 | -22.7 | 179.5 | -58.8 | -168.6 | 175.6 | 0 | 0 | 113.6 | E113 | E113-E115 PolarHBondContact O-N 3.41Å; E113-E115 VanDerWaalsContact O-N 3.15Å |
| 116 | L | 91.3 | Very high | 92.3 | Very high | 50 Ų | 50 | 40.4 Ų | 40.4 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -102.4 | 0.7 | -177.5 | -58.7 | -169.1 | 0 | 0 | 0 | 113.3 | Q70 G109 T110 E113 P114 G118 | Q70-L116 PolarHBondContact NE2-O 2.9Å; G109-L116 VanDerWaalsContact CA-O 3.29Å; G109-L116 WeakPolarHBondContact CA-O 3.07Å; T110-L116 PolarHBondContact N-O 3.4Å; E113-L116 HydrophobicContact CB-CB 4.09Å; E113-L116 HydrophobicContact CB-CD1 4.25Å; E113-L116 HydrophobicContact CB-CG 4.06Å; E113-L116 PolarHBondContact O-N 2.87Å; E113-L116 WeakPolarHBondContact OE2-CD1 3.41Å; P114-L116 VanDerWaalsContact C-N 3.26Å; P114-L116 PolarHBondContact O-N 3.1Å; L116-G118 PolarHBondContact O-N 3.2Å |
| 117 | R | 94.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 40.5 Ų | 40.5 | 19% | 0.189 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 130.9 | 175.4 | -76 | 178 | 179 | -178.5 | -7.7 | 111.1 | Q70 T110 W111 E113 P114 P121 N122 E125 | Q70-R117 WeakPolarHBondContact CB-O 3.5Å; Q70-R117 WeakPolarHBondContact CG-O 3.45Å; T110-R117 WeakPolarHBondContact O-CG 3.47Å; T110-R117 PolarHBondContact O-N 3.19Å; W111-R117 PolarHBondContact O-NE 3.43Å; W111-R117 VanDerWaalsContact O-NE 3.16Å; E113-R117 PolarHBondContact O-N 3.05Å; P114-R117 WeakPolarHBondContact O-CB 3.32Å; P114-R117 PolarHBondContact O-N 2.86Å; R117-P121 HydrophobicContact CB-CB 4.16Å; R117-P121 HydrophobicContact CB-CG 3.79Å; R117-P121 HydrophobicContact CG-CB 4.23Å; R117-P121 HydrophobicContact CG-CG 4.19Å; R117-N122 PolarHBondContact O-ND2 3.3Å; R117-E125 IonicContact CZ-OE1 3.43Å; R117-E125 VanDerWaalsContact NH1-CD 3.33Å; R117-E125 IonicContact NH1-OE1 2.73Å; R117-E125 PolarHBondContact NH1-OE1 2.9Å; R117-E125 IonicContact NH1-OE2 3.61Å |
| 118 | G | 95.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -79.2 | -167.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T106 Q108 L116 I120 P121 N122 | T106-G118 CarbonylContact O-C 3.58Å; T106-G118 VanDerWaalsContact O-CA 3.28Å; T106-G118 WeakPolarHBondContact O-CA 3.49Å; Q108-G118 WeakPolarHBondContact O-CA 3.47Å; Q108-G118 PolarHBondContact O-N 2.91Å; L116-G118 PolarHBondContact O-N 3.2Å; G118-I120 PolarHBondContact O-N 2.89Å; G118-P121 WeakPolarHBondContact O-CD 3.49Å; G118-P121 WeakPolarHBondContact O-CG 3.3Å; G118-N122 WeakPolarHBondContact O-CB 3.46Å; G118-N122 VanDerWaalsContact O-CG 3.32Å; G118-N122 PolarHBondContact O-N 3.08Å; G118-N122 PolarHBondContact O-ND2 2.86Å | ||
| 119 | V | 97.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | -178.6 | 169.3 | 0 | 0 | 0 | 0 | 113.1 | L73 V78 V93 T106 M107 A123 L244 | L73-V119 HydrophobicContact CD2-CG2 3.79Å; V78-V119 HydrophobicContact CG1-CG1 3.9Å; V78-V119 HydrophobicContact CG2-CG1 4.43Å; V78-V119 HydrophobicContact CG2-CG2 4.08Å; V93-V119 HydrophobicContact CG1-CG1 4.45Å; T106-V119 HydrophobicContact CG2-CG2 4.4Å; T106-V119 PolarHBondContact O-N 3.4Å; M107-V119 PolarHBondContact O-N 2.82Å; M107-V119 VanDerWaalsContact O-N 3.15Å; V119-A123 VanDerWaalsContact O-CB 3.24Å; V119-A123 WeakPolarHBondContact O-CB 3.46Å; V119-A123 PolarHBondContact O-N 2.98Å; V119-L244 HydrophobicContact CG1-CD2 4Å |
| 120 | I | 96.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -57.3 | -175.4 | -62.8 | 163.2 | 0 | 0 | 0 | 112.1 | M107 Q108 G118 N122 A123 F124 M195 L244 | M107-I120 HydrophobicContact CB-CD1 4.01Å; M107-I120 HydrophobicContact CE-CD1 4.38Å; M107-I120 HydrophobicContact CE-CG1 4.28Å; M107-I120 VanDerWaalsContact O-CB 3.3Å; M107-I120 WeakPolarHBondContact O-CB 3.26Å; M107-I120 WeakPolarHBondContact O-CD1 3.46Å; M107-I120 VanDerWaalsContact O-CG1 3.22Å; M107-I120 WeakPolarHBondContact O-CG1 3.18Å; M107-I120 PolarHBondContact O-N 3.46Å; Q108-I120 HydrophobicContact CG-CD1 4.07Å; G118-I120 PolarHBondContact O-N 2.89Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.4Å; I120-A123 WeakPolarHBondContact O-CB 3.4Å; I120-A123 PolarHBondContact O-N 3.23Å; I120-A123 VanDerWaalsContact O-N 3.15Å; I120-F124 HydrophobicContact CG2-CD1 4.33Å; I120-F124 HydrophobicContact CG2-CE1 3.5Å; I120-F124 VanDerWaalsContact CG2-CE1 3.5Å; I120-F124 HydrophobicContact CG2-CE2 3.83Å; I120-F124 HydrophobicContact CG2-CZ 3.21Å; I120-F124 VanDerWaalsContact O-CD1 3.31Å; I120-F124 WeakPolarHBondContact O-CD1 3.25Å; I120-F124 WeakPolarHBondContact O-CG 3.43Å; I120-F124 PolarHBondContact O-N 3.26Å; I120-M195 HydrophobicContact CB-CE 4.32Å; I120-M195 HydrophobicContact CB-SD 4.43Å; I120-M195 HydrophobicContact CD1-CE 3.84Å; I120-M195 HydrophobicContact CG2-CE 3.88Å; I120-M195 HydrophobicContact CG2-SD 3.44Å; I120-M195 WeakPolarHBondContact CG2-SD 3.43Å; I120-L244 HydrophobicContact CB-CD1 4.17Å; I120-L244 HydrophobicContact CD1-CB 4.38Å; I120-L244 HydrophobicContact CG1-CB 3.89Å; I120-L244 HydrophobicContact CG1-CD1 3.67Å; I120-L244 HydrophobicContact CG1-CG 4.3Å; I120-L244 HydrophobicContact CG2-CD1 4.16Å |
| 121 | P | 95.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -42.3 | 176.7 | 14.9 | -27.2 | 0 | 0 | 0 | 113.1 | Q108 W111 R117 G118 A123 F124 E125 | Q108-P121 WeakPolarHBondContact O-CG 3.44Å; W111-P121 HydrophobicContact CE3-CB 4Å; W111-P121 HydrophobicContact CH2-CB 3.65Å; W111-P121 HydrophobicContact CH2-CG 4.05Å; W111-P121 HydrophobicContact CZ2-CB 4.23Å; W111-P121 HydrophobicContact CZ2-CG 4.13Å; W111-P121 HydrophobicContact CZ3-CB 3.55Å; W111-P121 HydrophobicContact CZ3-CG 4.31Å; R117-P121 HydrophobicContact CB-CB 4.16Å; R117-P121 HydrophobicContact CB-CG 3.79Å; R117-P121 HydrophobicContact CG-CB 4.23Å; R117-P121 HydrophobicContact CG-CG 4.19Å; G118-P121 WeakPolarHBondContact O-CD 3.49Å; G118-P121 WeakPolarHBondContact O-CG 3.3Å; P121-A123 VanDerWaalsContact C-N 3.31Å; P121-A123 PolarHBondContact O-N 3.36Å; P121-F124 WeakPolarHBondContact O-CB 3.46Å; P121-F124 PolarHBondContact O-N 3.13Å; P121-F124 VanDerWaalsContact O-N 3.16Å; P121-E125 PolarHBondContact O-N 3.49Å; P121-E125 VanDerWaalsContact O-N 3.13Å |
| 122 | N | 96.6 | Very high | 93.3 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 178.5 | -68.8 | -26.1 | 0 | 0 | 0 | 111.7 | Y74 R117 G118 I120 E125 H126 | Y74-N122 HydrophobicContact CD1-CB 4.11Å; Y74-N122 HydrophobicContact CD2-CB 3.5Å; Y74-N122 VanDerWaalsContact CD2-CB 3.5Å; Y74-N122 HydrophobicContact CE1-CB 4.13Å; Y74-N122 HydrophobicContact CE2-CB 3.49Å; Y74-N122 VanDerWaalsContact CE2-CB 3.49Å; Y74-N122 HydrophobicContact CG-CB 3.82Å; Y74-N122 PolarHBondContact OH-O 2.95Å; R117-N122 PolarHBondContact O-ND2 3.3Å; G118-N122 WeakPolarHBondContact O-CB 3.46Å; G118-N122 VanDerWaalsContact O-CG 3.32Å; G118-N122 PolarHBondContact O-N 3.08Å; G118-N122 PolarHBondContact O-ND2 2.86Å; I120-N122 VanDerWaalsContact C-N 3.32Å; I120-N122 PolarHBondContact O-N 3.4Å; N122-E125 PolarHBondContact O-N 3.23Å; N122-H126 VanDerWaalsContact O-CB 3.3Å; N122-H126 WeakPolarHBondContact O-CB 3.35Å; N122-H126 PolarHBondContact O-N 2.86Å |
| 123 | A | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y74 I82 V119 I120 P121 H126 I127 L242 L244 | Y74-A123 HydrophobicContact CE2-CB 4.31Å; Y74-A123 VanDerWaalsContact OH-CA 3.31Å; Y74-A123 WeakPolarHBondContact OH-CA 3.39Å; Y74-A123 PolarHBondContact OH-N 3.49Å; I82-A123 HydrophobicContact CD1-CB 4.01Å; V119-A123 VanDerWaalsContact O-CB 3.24Å; V119-A123 WeakPolarHBondContact O-CB 3.46Å; V119-A123 PolarHBondContact O-N 2.98Å; I120-A123 WeakPolarHBondContact O-CB 3.4Å; I120-A123 PolarHBondContact O-N 3.23Å; I120-A123 VanDerWaalsContact O-N 3.15Å; P121-A123 VanDerWaalsContact C-N 3.31Å; P121-A123 PolarHBondContact O-N 3.36Å; A123-H126 PolarHBondContact O-N 3.41Å; A123-I127 WeakPolarHBondContact O-CB 3.31Å; A123-I127 WeakPolarHBondContact O-CD1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.36Å; A123-I127 PolarHBondContact O-N 3.48Å; A123-L242 HydrophobicContact CB-CD2 4.4Å; A123-L244 HydrophobicContact CB-CD1 4.37Å |
| 124 | F | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -51.1 | 175.5 | -59.6 | -13.8 | 0 | 0 | 0 | 110.9 | W111 I120 P121 H126 I127 F128 V188 I191 M195 F220 I222 | W111-F124 HydrophobicContact CH2-CD2 4.09Å; W111-F124 AromaticContact CH2-CE2 3.71Å; W111-F124 HydrophobicContact CH2-CE2 3.71Å; W111-F124 HydrophobicContact CZ3-CD2 4.29Å; W111-F124 HydrophobicContact CZ3-CE2 4.28Å; I120-F124 HydrophobicContact CG2-CD1 4.33Å; I120-F124 HydrophobicContact CG2-CE1 3.5Å; I120-F124 VanDerWaalsContact CG2-CE1 3.5Å; I120-F124 HydrophobicContact CG2-CE2 3.83Å; I120-F124 HydrophobicContact CG2-CZ 3.21Å; I120-F124 VanDerWaalsContact O-CD1 3.31Å; I120-F124 WeakPolarHBondContact O-CD1 3.25Å; I120-F124 WeakPolarHBondContact O-CG 3.43Å; I120-F124 PolarHBondContact O-N 3.26Å; P121-F124 WeakPolarHBondContact O-CB 3.46Å; P121-F124 PolarHBondContact O-N 3.13Å; P121-F124 VanDerWaalsContact O-N 3.16Å; F124-H126 VanDerWaalsContact C-N 3.32Å; F124-H126 PolarHBondContact O-N 2.95Å; F124-I127 PolarHBondContact O-N 3.07Å; F124-F128 WeakPolarHBondContact O-CD2 3.31Å; F124-F128 PolarHBondContact O-N 3.17Å; F124-F128 VanDerWaalsContact O-N 3.08Å; F124-V188 HydrophobicContact CB-CG1 4.26Å; F124-I191 HydrophobicContact CB-CG2 3.92Å; F124-I191 HydrophobicContact CD1-CD1 3.81Å; F124-I191 HydrophobicContact CD1-CG1 4.2Å; F124-I191 HydrophobicContact CD1-CG2 4.17Å; F124-I191 HydrophobicContact CD2-CG1 4.49Å; F124-I191 HydrophobicContact CD2-CG2 3.66Å; F124-I191 HydrophobicContact CE1-CD1 3.75Å; F124-I191 HydrophobicContact CE1-CG1 3.93Å; F124-I191 HydrophobicContact CE2-CG1 4.22Å; F124-I191 HydrophobicContact CE2-CG2 4.13Å; F124-I191 HydrophobicContact CG-CD1 4.42Å; F124-I191 HydrophobicContact CG-CG1 4.47Å; F124-I191 HydrophobicContact CG-CG2 3.66Å; F124-I191 HydrophobicContact CZ-CD1 4.27Å; F124-I191 HydrophobicContact CZ-CG1 3.93Å; F124-M195 HydrophobicContact CE2-CB 4.36Å; F124-M195 HydrophobicContact CE2-SD 3.88Å; F124-M195 HydrophobicContact CZ-CB 4.45Å; F124-M195 HydrophobicContact CZ-SD 3.84Å; F124-F220 HydrophobicContact CE1-CD1 4.07Å; F124-F220 AromaticContact CE1-CE1 3.46Å; F124-F220 HydrophobicContact CE1-CE1 3.46Å; F124-F220 VanDerWaalsContact CE1-CE1 3.46Å; F124-F220 HydrophobicContact CE1-CZ 4.11Å; F124-F220 HydrophobicContact CZ-CD1 4.16Å; F124-F220 AromaticContact CZ-CE1 3.49Å; F124-F220 HydrophobicContact CZ-CE1 3.49Å; F124-F220 VanDerWaalsContact CZ-CE1 3.49Å; F124-F220 HydrophobicContact CZ-CE2 4.48Å; F124-F220 AromaticContact CZ-CZ 3.68Å; F124-F220 HydrophobicContact CZ-CZ 3.68Å; F124-I222 HydrophobicContact CD1-CD1 3.72Å; F124-I222 HydrophobicContact CE1-CD1 3.56Å; F124-I222 HydrophobicContact CE1-CG1 4.44Å |
| 125 | E | 95.1 | Very high | 93.6 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 178.7 | -69.7 | -168.4 | 159 | 0 | 0 | 111.5 | R117 P121 N122 T129 V188 | R117-E125 IonicContact CZ-OE1 3.43Å; R117-E125 VanDerWaalsContact NH1-CD 3.33Å; R117-E125 IonicContact NH1-OE1 2.73Å; R117-E125 PolarHBondContact NH1-OE1 2.9Å; R117-E125 IonicContact NH1-OE2 3.61Å; P121-E125 PolarHBondContact O-N 3.49Å; P121-E125 VanDerWaalsContact O-N 3.13Å; N122-E125 PolarHBondContact O-N 3.23Å; E125-T129 WeakPolarHBondContact O-CB 3.46Å; E125-T129 PolarHBondContact O-N 2.96Å; E125-T129 PolarHBondContact O-OG1 3.32Å; E125-V188 HydrophobicContact CG-CG1 4.22Å |
| 126 | H | 96.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 11% | 0.111 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 179.4 | -172.9 | -168 | 0 | 0 | 0 | 112.3 | Y74 R79 I82 D83 N122 A123 F124 T129 H130 | Y74-H126 HydrophobicContact CE1-CB 4.47Å; Y74-H126 WeakPolarHBondContact OH-CB 3.5Å; Y74-H126 PolarHBondContact OH-ND1 2.95Å; Y74-H126 VanDerWaalsContact OH-ND1 3.16Å; R79-H126 PolarHBondContact NH1-NE2 2.8Å; I82-H126 HydrophobicContact CG2-CB 4.47Å; I82-H126 WeakPolarHBondContact CG2-ND1 3.32Å; D83-H126 IonicContact OD1-CE1 3.83Å; D83-H126 PolarHBondContact OD1-CE1 3.09Å; D83-H126 IonicContact OD1-NE2 2.84Å; D83-H126 PolarHBondContact OD1-NE2 3.47Å; N122-H126 VanDerWaalsContact O-CB 3.3Å; N122-H126 WeakPolarHBondContact O-CB 3.35Å; N122-H126 PolarHBondContact O-N 2.86Å; A123-H126 PolarHBondContact O-N 3.41Å; F124-H126 VanDerWaalsContact C-N 3.32Å; F124-H126 PolarHBondContact O-N 2.95Å; H126-T129 PolarHBondContact O-N 3.47Å; H126-H130 WeakPolarHBondContact O-CB 3.33Å; H126-H130 PolarHBondContact O-N 3.11Å |
| 127 | I | 96.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -52.4 | 179.8 | -70.9 | 165.8 | 0 | 0 | 0 | 110.4 | I82 L86 A123 F124 T129 H130 I131 V141 I222 V224 L242 | I82-I127 HydrophobicContact CG2-CD1 4.47Å; I82-I127 HydrophobicContact CG2-CG1 3.83Å; L86-I127 HydrophobicContact CD2-CG1 4.33Å; L86-I127 HydrophobicContact CD2-CG2 4.2Å; A123-I127 WeakPolarHBondContact O-CB 3.31Å; A123-I127 WeakPolarHBondContact O-CD1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.36Å; A123-I127 PolarHBondContact O-N 3.48Å; F124-I127 PolarHBondContact O-N 3.07Å; I127-T129 VanDerWaalsContact C-N 3.34Å; I127-T129 PolarHBondContact O-N 3.3Å; I127-H130 WeakPolarHBondContact O-CB 3.49Å; I127-H130 PolarHBondContact O-N 2.96Å; I127-I131 HydrophobicContact CG2-CD1 3.76Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 3.31Å; I127-V141 HydrophobicContact CG2-CG2 4.3Å; I127-I222 HydrophobicContact CD1-CD1 3.91Å; I127-I222 HydrophobicContact CD1-CG2 4.22Å; I127-V224 HydrophobicContact CG2-CG2 4.28Å; I127-L242 HydrophobicContact CD1-CD2 4.29Å |
| 128 | F | 95.2 | Very high | 92.7 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 10% | 0.101 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.8 | -27.9 | -177.4 | -76 | -72.5 | 0 | 0 | 0 | 113.1 | F124 I131 S132 V141 T185 K186 V188 I191 | F124-F128 WeakPolarHBondContact O-CD2 3.31Å; F124-F128 PolarHBondContact O-N 3.17Å; F124-F128 VanDerWaalsContact O-N 3.08Å; F128-I131 HydrophobicContact CD1-CD1 4.32Å; F128-S132 WeakPolarHBondContact O-CB 3.42Å; F128-S132 PolarHBondContact O-N 3.36Å; F128-S132 PolarHBondContact O-OG 2.86Å; F128-V141 HydrophobicContact CE1-CB 4.49Å; F128-V141 HydrophobicContact CE1-CG2 4.31Å; F128-V141 HydrophobicContact CZ-CB 4.21Å; F128-V141 HydrophobicContact CZ-CG1 4.15Å; F128-V141 HydrophobicContact CZ-CG2 4.38Å; F128-T185 WeakPolarHBondContact CZ-O 3.49Å; F128-K186 WeakPolarHBondContact CE1-O 3.47Å; F128-V188 HydrophobicContact CB-CG2 3.7Å; F128-V188 HydrophobicContact CD2-CG2 3.82Å; F128-V188 HydrophobicContact CG-CG2 4.04Å; F128-I191 HydrophobicContact CD2-CG2 4.38Å; F128-I191 HydrophobicContact CE2-CB 4.23Å; F128-I191 HydrophobicContact CE2-CD1 4.43Å; F128-I191 HydrophobicContact CE2-CG2 3.69Å |
| 129 | T | 94.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 41% | 0.411 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.1 | -35.1 | 171.3 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | E125 H126 I127 S132 R133 | E125-T129 WeakPolarHBondContact O-CB 3.46Å; E125-T129 PolarHBondContact O-N 2.96Å; E125-T129 PolarHBondContact O-OG1 3.32Å; H126-T129 PolarHBondContact O-N 3.47Å; I127-T129 VanDerWaalsContact C-N 3.34Å; I127-T129 PolarHBondContact O-N 3.3Å; T129-S132 PolarHBondContact O-OG 3.03Å; T129-R133 WeakPolarHBondContact O-CB 3.31Å; T129-R133 WeakPolarHBondContact O-CG 3.44Å; T129-R133 PolarHBondContact O-N 3.46Å |
| 130 | H | 93.8 | Very high | 92 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 173.5 | -175.1 | 96.9 | 0 | 0 | 0 | 110.9 | L86 H126 I127 S132 R133 S134 Y139 | L86-H130 HydrophobicContact CD1-CB 3.69Å; L86-H130 HydrophobicContact CD2-CB 4.48Å; H126-H130 WeakPolarHBondContact O-CB 3.33Å; H126-H130 PolarHBondContact O-N 3.11Å; I127-H130 WeakPolarHBondContact O-CB 3.49Å; I127-H130 PolarHBondContact O-N 2.96Å; H130-S132 VanDerWaalsContact C-N 3.3Å; H130-S132 PolarHBondContact O-N 2.83Å; H130-R133 PolarHBondContact O-N 2.88Å; H130-R133 VanDerWaalsContact O-N 3.11Å; H130-S134 PolarHBondContact O-N 3.43Å; H130-S134 PolarHBondContact O-OG 3.42Å; H130-Y139 PolarHBondContact NE2-OH 3.45Å |
| 131 | I | 91.9 | Very high | 91.8 | Very high | 41 Ų | 41 | 61.5 Ų | 61.5 | 21% | 0.21 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 178.7 | -65.9 | 167.5 | 0 | 0 | 0 | 111.8 | I127 F128 R133 S134 Y139 V141 | I127-I131 HydrophobicContact CG2-CD1 3.76Å; I127-I131 VanDerWaalsContact O-CG1 3.27Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 3.31Å; F128-I131 HydrophobicContact CD1-CD1 4.32Å; I131-R133 VanDerWaalsContact C-N 3.29Å; I131-R133 PolarHBondContact O-N 2.83Å; I131-S134 PolarHBondContact O-OG 3.24Å; I131-Y139 HydrophobicContact CB-CD2 4.4Å; I131-Y139 HydrophobicContact CB-CG 4.45Å; I131-Y139 HydrophobicContact CD1-CD1 4.32Å; I131-Y139 HydrophobicContact CD1-CG 4.2Å; I131-Y139 HydrophobicContact CG1-CD1 3.88Å; I131-Y139 HydrophobicContact CG1-CD2 4.07Å; I131-Y139 HydrophobicContact CG1-CE1 4.31Å; I131-Y139 HydrophobicContact CG1-CG 3.71Å; I131-Y139 HydrophobicContact CG2-CD2 3.98Å; I131-Y139 HydrophobicContact CG2-CG 4.13Å; I131-V141 HydrophobicContact CD1-CG2 3.47Å; I131-V141 VanDerWaalsContact CD1-CG2 3.47Å |
| 132 | S | 91.6 | Very high | 91.7 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -74.2 | -19.9 | 178.4 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | F128 T129 H130 | F128-S132 WeakPolarHBondContact O-CB 3.42Å; F128-S132 PolarHBondContact O-N 3.36Å; F128-S132 PolarHBondContact O-OG 2.86Å; T129-S132 PolarHBondContact O-OG 3.03Å; H130-S132 VanDerWaalsContact C-N 3.3Å; H130-S132 PolarHBondContact O-N 2.83Å |
| 133 | R | 91.8 | Very high | 91.6 | Very high | 202 Ų | 202 | 63 Ų | 63 | 76% | 0.762 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -95.6 | -20.9 | 179.7 | -69.4 | 177.2 | 76.4 | 166.3 | 5.2 | 113.3 | T129 H130 I131 | T129-R133 WeakPolarHBondContact O-CB 3.31Å; T129-R133 WeakPolarHBondContact O-CG 3.44Å; T129-R133 PolarHBondContact O-N 3.46Å; H130-R133 PolarHBondContact O-N 2.88Å; H130-R133 VanDerWaalsContact O-N 3.11Å; I131-R133 VanDerWaalsContact C-N 3.29Å; I131-R133 PolarHBondContact O-N 2.83Å |
| 134 | S | 88 | Confident | 91.5 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | trans | -72.8 | 144.9 | 179 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | H130 I131 Y139 | H130-S134 PolarHBondContact O-N 3.43Å; H130-S134 PolarHBondContact O-OG 3.42Å; I131-S134 PolarHBondContact O-OG 3.24Å; S134-Y139 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 135 | Q | 81.6 | Confident | 91.4 | Very high | 163 Ų | 163 | 63.5 Ų | 63.5 | 76% | 0.762 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -122.7 | 148.3 | 176.9 | -63.3 | -178.6 | -3.7 | 0 | 0 | 108 | Q137 | Q135-Q137 PolarHBondContact O-N 3.45Š|
| 136 | N | 82.9 | Confident | 91.4 | Very high | 151 Ų | 151 | 59.9 Ų | 59.9 | 81% | 0.807 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 62.4 | 21.2 | -179.5 | -53.1 | -31.9 | 0 | 0 | 0 | 115.7 | ||
| 137 | Q | 86.2 | Confident | 91.1 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139 | 177.9 | -67.4 | 174 | -10.2 | 0 | 0 | 109.2 | Q135 Y139 S227 E228 | Q135-Q137 PolarHBondContact O-N 3.45Å; Q137-Y139 HydrophobicContact CB-CD2 4.35Å; Q137-Y139 HydrophobicContact CB-CE2 3.58Å; Q137-Y139 PolarHBondContact OE1-OH 2.95Å; Q137-S227 WeakPolarHBondContact CA-O 3.2Å; Q137-E228 HydrophobicContact CG-CB 4.05Å; Q137-E228 HydrophobicContact CG-CG 3.94Å; Q137-E228 VanDerWaalsContact NE2-CD 3.26Å; Q137-E228 PolarHBondContact NE2-OE1 2.94Å |
| 138 | Q | 85.4 | Confident | 90.8 | Very high | 150 Ų | 150 | 59.3 Ų | 59.3 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.3 | 175 | -65.1 | -171.8 | -4 | 0 | 0 | 109.8 | C226 S227 | Q138-C226 CarbonylContact O-C 3.54Å; Q138-C226 WeakPolarHBondContact O-CA 3.45Å; Q138-S227 PolarHBondContact N-O 3.41Å; Q138-S227 PolarHBondContact O-N 3.04Å |
| 139 | Y | 90.1 | Very high | 90.4 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.8 | -177.9 | -68.1 | -95.7 | 0 | 0 | 0 | 111.8 | H130 I131 S134 Q137 V224 E225 C226 | H130-Y139 PolarHBondContact NE2-OH 3.45Å; I131-Y139 HydrophobicContact CB-CD2 4.4Å; I131-Y139 HydrophobicContact CB-CG 4.45Å; I131-Y139 HydrophobicContact CD1-CD1 4.32Å; I131-Y139 HydrophobicContact CD1-CG 4.2Å; I131-Y139 HydrophobicContact CG1-CD1 3.88Å; I131-Y139 HydrophobicContact CG1-CD2 4.07Å; I131-Y139 HydrophobicContact CG1-CE1 4.31Å; I131-Y139 HydrophobicContact CG1-CG 3.71Å; I131-Y139 HydrophobicContact CG2-CD2 3.98Å; I131-Y139 HydrophobicContact CG2-CG 4.13Å; S134-Y139 WeakPolarHBondContact OG-CE2 3.5Å; Q137-Y139 HydrophobicContact CB-CD2 4.35Å; Q137-Y139 HydrophobicContact CB-CE2 3.58Å; Q137-Y139 PolarHBondContact OE1-OH 2.95Å; Y139-V224 HydrophobicContact CD1-CG1 3.89Å; Y139-V224 HydrophobicContact CE1-CG1 4.43Å; Y139-E225 CarbonylContact C-O 3.54Å; Y139-E225 VanDerWaalsContact CA-O 3.27Å; Y139-E225 WeakPolarHBondContact CA-O 3.37Å; Y139-C226 HydrophobicContact CD1-CB 3.95Å; Y139-C226 HydrophobicContact CE1-CB 3.77Å |
| 140 | L | 88.1 | Confident | 89.8 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 36% | 0.356 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.1 | 167.5 | 177.4 | 62.6 | 0 | 0 | 0 | 109 | R142 V184 E225 | L140-R142 HydrophobicContact CG-CG 4.45Å; L140-V184 HydrophobicContact CD1-CG1 3.6Å; L140-V184 HydrophobicContact CD1-CG2 4.24Å; L140-E225 HydrophobicContact CB-CB 4.28Å; L140-E225 PolarHBondContact N-O 3.43Å; L140-E225 PolarHBondContact O-N 3.29Å |
| 141 | V | 93.9 | Very high | 89.5 | Confident | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.6 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | I127 F128 I131 T185 I222 T223 V224 | I127-V141 HydrophobicContact CG2-CG2 4.3Å; F128-V141 HydrophobicContact CE1-CB 4.49Å; F128-V141 HydrophobicContact CE1-CG2 4.31Å; F128-V141 HydrophobicContact CZ-CB 4.21Å; F128-V141 HydrophobicContact CZ-CG1 4.15Å; F128-V141 HydrophobicContact CZ-CG2 4.38Å; I131-V141 HydrophobicContact CD1-CG2 3.47Å; I131-V141 VanDerWaalsContact CD1-CG2 3.47Å; V141-T185 PolarHBondContact O-N 3.33Å; V141-I222 HydrophobicContact CG1-CG2 3.68Å; V141-T223 WeakPolarHBondContact CA-O 3.29Å; V141-V224 HydrophobicContact CG2-CG1 4.47Å; V141-V224 HydrophobicContact CG2-CG2 4.42Å |
| 142 | R | 92.3 | Very high | 89.2 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 23% | 0.226 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.6 | 174.3 | -60.1 | -169 | -63.5 | -86.2 | 0.4 | 111.2 | L140 S182 F183 V184 I222 T223 E225 | L140-R142 HydrophobicContact CG-CG 4.45Å; R142-S182 WeakPolarHBondContact CB-OG 3.41Å; R142-F183 CarbonylContact C-O 3.53Å; R142-F183 VanDerWaalsContact CA-O 3.26Å; R142-F183 WeakPolarHBondContact CA-O 3.26Å; R142-V184 HydrophobicContact CG-CG2 4.07Å; R142-I222 CarbonylContact O-C 3.58Å; R142-I222 WeakPolarHBondContact O-CA 3.5Å; R142-T223 PolarHBondContact N-O 2.93Å; R142-T223 PolarHBondContact O-N 3.11Å; R142-E225 IonicContact CZ-OE1 3.03Å; R142-E225 VanDerWaalsContact CZ-OE1 3.23Å; R142-E225 IonicContact CZ-OE2 3.53Å; R142-E225 IonicContact NH1-OE1 3.48Å; R142-E225 PolarHBondContact NH1-OE1 3.28Å; R142-E225 IonicContact NH1-OE2 3.92Å; R142-E225 PolarHBondContact NH1-OE2 2.85Å; R142-E225 IonicContact NH2-OE1 3.44Å; R142-E225 PolarHBondContact NH2-OE1 3.06Å; R142-E225 IonicContact NH2-OE2 2.72Å |
| 143 | A | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S182 F183 T185 I191 V194 F220 I221 | A143-S182 WeakPolarHBondContact O-CA 3.45Å; A143-F183 PolarHBondContact N-O 2.77Å; A143-F183 PolarHBondContact O-N 3.35Å; A143-T185 HydrophobicContact CB-CG2 4.37Å; A143-I191 HydrophobicContact CB-CD1 4.06Å; A143-I191 HydrophobicContact CB-CG1 4.02Å; A143-V194 HydrophobicContact CB-CG1 4.17Å; A143-F220 HydrophobicContact CB-CE1 4.19Å; A143-F220 HydrophobicContact CB-CZ 3.87Å; A143-I221 CarbonylContact C-O 3.5Å; A143-I221 WeakPolarHBondContact CA-O 3.45Å |
| 144 | S | 94.6 | Very high | 89.1 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145 | 171.7 | -66.5 | 0 | 0 | 0 | 0 | 108.7 | S181 S182 I221 | S144-S181 VanDerWaalsContact CB-O 3.31Å; S144-S181 WeakPolarHBondContact CB-O 3.17Å; S144-S181 PolarHBondContact OG-O 3.09Å; S144-S182 WeakPolarHBondContact OG-CA 3.25Å; S144-S182 WeakPolarHBondContact OG-CB 3.25Å; S144-S182 PolarHBondContact OG-OG 2.99Å; S144-I221 PolarHBondContact N-O 3.14Å; S144-I221 PolarHBondContact O-N 2.9Å |
| 145 | Y | 95.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 125.2 | -178.7 | -167 | -164.9 | 0 | 0 | 0 | 110.6 | L156 L157 N199 A218 I219 F220 | Y145-L156 HydrophobicContact CD1-CB 4.26Å; Y145-L156 HydrophobicContact CD1-CD1 3.91Å; Y145-L156 HydrophobicContact CD2-CD1 3.91Å; Y145-L156 HydrophobicContact CE1-CD1 3.86Å; Y145-L156 HydrophobicContact CE2-CD1 3.89Å; Y145-L156 HydrophobicContact CG-CB 4.32Å; Y145-L156 HydrophobicContact CG-CD1 3.91Å; Y145-L156 WeakPolarHBondContact O-CB 3.35Å; Y145-L156 PolarHBondContact O-N 3.46Å; Y145-L157 HydrophobicContact CD1-CD2 4.49Å; Y145-N199 WeakPolarHBondContact CE1-OD1 3.47Å; Y145-N199 PolarHBondContact OH-OD1 3.31Å; Y145-A218 HydrophobicContact CE2-CB 4Å; Y145-I219 WeakPolarHBondContact CD2-O 3.45Å; Y145-F220 AromaticContact CD1-CD2 3.85Å; Y145-F220 HydrophobicContact CD1-CD2 3.85Å; Y145-F220 HydrophobicContact CD1-CE2 4.23Å; Y145-F220 HydrophobicContact CD2-CB 3.93Å; Y145-F220 AromaticContact CD2-CD2 3.66Å; Y145-F220 HydrophobicContact CD2-CD2 3.66Å; Y145-F220 HydrophobicContact CD2-CG 4.28Å; Y145-F220 HydrophobicContact CE1-CD2 4.36Å; Y145-F220 HydrophobicContact CE2-CB 4.12Å; Y145-F220 HydrophobicContact CE2-CD2 4.15Å; Y145-F220 AromaticContact CG-CD2 3.51Å; Y145-F220 HydrophobicContact CG-CD2 3.51Å; Y145-F220 HydrophobicContact CG-CE2 4.13Å; Y145-F220 HydrophobicContact CG-CG 4.5Å |
| 146 | L | 93.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 160.2 | -174.5 | 69 | 94.1 | 0 | 0 | 0 | 112 | I148 I153 R154 I177 L180 I219 I221 | L146-I148 HydrophobicContact CD1-CG1 4Å; L146-I153 HydrophobicContact CD1-CG2 4.4Å; L146-R154 VanDerWaalsContact CA-O 3.31Å; L146-R154 WeakPolarHBondContact CA-O 3.36Å; L146-R154 WeakPolarHBondContact CB-O 3.46Å; L146-I177 HydrophobicContact CD2-CD1 3.31Å; L146-I177 HydrophobicContact CG-CD1 4.45Å; L146-L180 HydrophobicContact CB-CD1 4.12Å; L146-L180 HydrophobicContact CD2-CD1 4.23Å; L146-L180 HydrophobicContact CD2-CD2 3.86Å; L146-I219 HydrophobicContact CD1-CB 3.94Å; L146-I219 HydrophobicContact CD1-CD1 4.18Å; L146-I219 HydrophobicContact CD1-CG1 4.21Å; L146-I219 HydrophobicContact CG-CB 4.01Å; L146-I219 PolarHBondContact N-O 2.95Å; L146-I219 VanDerWaalsContact N-O 3.1Å; L146-I219 PolarHBondContact O-N 2.94Å; L146-I221 HydrophobicContact CD2-CD1 3.91Å |
| 147 | E | 91.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 5% | 0.047 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.2 | 175.6 | 177.7 | 177.4 | -133.1 | 0 | 0 | 110 | R154 L156 R202 S216 H217 | E147-R154 PolarHBondContact N-O 3.08Å; E147-R154 PolarHBondContact O-N 3.27Å; E147-L156 HydrophobicContact CB-CD1 4.1Å; E147-L156 HydrophobicContact CB-CD2 3.88Å; E147-L156 HydrophobicContact CB-CG 4.04Å; E147-R202 IonicContact OE1-NE 3.6Å; E147-R202 PolarHBondContact OE1-NE 3.48Å; E147-S216 WeakPolarHBondContact OE1-CB 3.3Å; E147-S216 PolarHBondContact OE1-OG 2.86Å; E147-H217 CarbonylContact C-O 3.53Å; E147-H217 VanDerWaalsContact CA-O 3.3Å; E147-H217 WeakPolarHBondContact CA-O 3.29Å |
| 148 | I | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.4 | 167.1 | -50 | 177.5 | 0 | 0 | 0 | 107.4 | L146 E152 I153 S216 H217 I219 K321 L322 L325 | L146-I148 HydrophobicContact CD1-CG1 4Å; I148-E152 WeakPolarHBondContact CA-O 3.49Å; I148-I153 HydrophobicContact CG1-CG1 4.48Å; I148-S216 WeakPolarHBondContact O-CA 3.22Å; I148-H217 HydrophobicContact CB-CB 4.27Å; I148-H217 PolarHBondContact N-O 2.81Å; I148-H217 PolarHBondContact O-N 2.82Å; I148-I219 HydrophobicContact CD1-CD1 4.1Å; I148-K321 HydrophobicContact CG2-CB 4.38Å; I148-L322 HydrophobicContact CD1-CB 4.06Å; I148-L322 HydrophobicContact CD1-CD1 3.99Å; I148-L325 HydrophobicContact CD1-CD1 3.74Å; I148-L325 HydrophobicContact CG1-CD1 4.48Å |
| 149 | Y | 86.3 | Confident | 89.7 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.1 | 179.3 | 177.7 | -111.3 | 0 | 0 | 0 | 109.4 | E151 E152 R215 E289 | Y149-E151 VanDerWaalsContact C-N 3.3Å; Y149-E151 PolarHBondContact O-N 3.34Å; Y149-E152 PolarHBondContact N-O 2.78Å; Y149-E152 WeakPolarHBondContact O-CB 3.43Å; Y149-E152 PolarHBondContact O-N 3.26Å; Y149-R215 HydrophobicContact CE2-CB 4.35Å; Y149-E289 HydrophobicContact CE2-CG 4.21Å; Y149-E289 WeakPolarHBondContact OH-CG 3.43Å; Y149-E289 PolarHBondContact OH-OE1 3.46Å; Y149-E289 VanDerWaalsContact OH-OE1 3.08Å; Y149-E289 PolarHBondContact OH-OE2 3.19Å |
| 150 | Q | 81.6 | Confident | 89.1 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 40 | -176.9 | -57.2 | -176.8 | 8.8 | 0 | 0 | 114.4 | E152 E289 K292 | Q150-E152 PolarHBondContact O-N 2.94Å; Q150-E289 HydrophobicContact CG-CG 4.32Å; Q150-K292 HydrophobicContact CB-CD 4.04Å |
| 151 | E | 86.8 | Confident | 87.9 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 17.2 | -174 | -68.3 | -62.1 | 110.6 | 0 | 0 | 115 | Y149 L295 S296 S320 K321 | Y149-E151 VanDerWaalsContact C-N 3.3Å; Y149-E151 PolarHBondContact O-N 3.34Å; E151-L295 HydrophobicContact CG-CD2 4.08Å; E151-S296 VanDerWaalsContact OE1-CB 3.3Å; E151-S296 WeakPolarHBondContact OE1-CB 3.43Å; E151-S320 VanDerWaalsContact OE2-CA 3.24Å; E151-S320 WeakPolarHBondContact OE2-CA 3.46Å; E151-K321 WeakPolarHBondContact O-CG 3.45Å; E151-K321 PolarHBondContact OE2-N 3.33Å |
| 152 | E | 87.3 | Confident | 86.5 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136.5 | 172.2 | -60.9 | -171.6 | 175.4 | 0 | 0 | 110.5 | I148 Y149 Q150 R164 | I148-E152 WeakPolarHBondContact CA-O 3.49Å; Y149-E152 PolarHBondContact N-O 2.78Å; Y149-E152 WeakPolarHBondContact O-CB 3.43Å; Y149-E152 PolarHBondContact O-N 3.26Å; Q150-E152 PolarHBondContact O-N 2.94Å; E152-R164 VanDerWaalsContact CD-NH2 3.33Å; E152-R164 IonicContact OE1-CZ 2.77Å; E152-R164 IonicContact OE1-NE 3.98Å; E152-R164 IonicContact OE1-NH1 2.67Å; E152-R164 PolarHBondContact OE1-NH1 3.02Å; E152-R164 IonicContact OE1-NH2 3.99Å; E152-R164 PolarHBondContact OE1-NH2 2.85Å; E152-R164 IonicContact OE2-CZ 3.79Å; E152-R164 IonicContact OE2-NE 3.59Å; E152-R164 PolarHBondContact OE2-NE 3.44Å; E152-R164 IonicContact OE2-NH2 2.77Å; E152-R164 PolarHBondContact OE2-NH2 3.08Å |
| 153 | I | 90.6 | Very high | 85.8 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126 | 176.6 | -59.5 | 175.8 | 0 | 0 | 0 | 108.6 | L146 I148 L165 L167 I177 K321 L325 | L146-I153 HydrophobicContact CD1-CG2 4.4Å; I148-I153 HydrophobicContact CG1-CG1 4.48Å; I153-L165 HydrophobicContact CB-CB 4.25Å; I153-L165 HydrophobicContact CG2-CB 4.02Å; I153-L165 HydrophobicContact CG2-CD1 4.31Å; I153-L165 PolarHBondContact O-N 3.1Å; I153-L167 HydrophobicContact CD1-CD1 4.06Å; I153-L167 HydrophobicContact CD1-CD2 3.6Å; I153-L167 HydrophobicContact CD1-CG 3.55Å; I153-I177 HydrophobicContact CD1-CD1 4.26Å; I153-I177 HydrophobicContact CD1-CG1 4.16Å; I153-I177 HydrophobicContact CG2-CD1 4.06Å; I153-I177 HydrophobicContact CG2-CG2 4.36Å; I153-K321 HydrophobicContact CD1-CB 4.49Å; I153-K321 HydrophobicContact CG1-CB 4.46Å; I153-L325 HydrophobicContact CD1-CD1 4.12Å |
| 154 | R | 89.6 | Confident | 84.9 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.3 | 176.2 | -62.1 | -178.5 | -178.7 | -162.5 | -1.3 | 109.6 | L146 E147 | L146-R154 VanDerWaalsContact CA-O 3.31Å; L146-R154 WeakPolarHBondContact CA-O 3.36Å; L146-R154 WeakPolarHBondContact CB-O 3.46Å; E147-R154 PolarHBondContact N-O 3.08Å; E147-R154 PolarHBondContact O-N 3.27Å |
| 155 | D | 92.4 | Very high | 84.5 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121 | 170.3 | -166.5 | -25.8 | 0 | 0 | 0 | 109.5 | L157 S158 L165 L180 S181 | D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact OD1-N 3.06Å; D155-S158 PolarHBondContact OD1-N 3.41Å; D155-L165 HydrophobicContact CB-CD1 3.84Å; D155-L180 HydrophobicContact CB-CD1 4.35Å; D155-S181 PolarHBondContact OD1-OG 3.33Å; D155-S181 WeakPolarHBondContact OD2-CB 3.43Å; D155-S181 PolarHBondContact OD2-N 3.5Å; D155-S181 PolarHBondContact OD2-OG 3Å |
| 156 | L | 91.3 | Very high | 84.1 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -82.3 | -12.6 | -179.5 | -64 | 178.1 | 0 | 0 | 0 | 112.7 | Y145 E147 G198 T201 R202 | Y145-L156 HydrophobicContact CD1-CB 4.26Å; Y145-L156 HydrophobicContact CD1-CD1 3.91Å; Y145-L156 HydrophobicContact CD2-CD1 3.91Å; Y145-L156 HydrophobicContact CE1-CD1 3.86Å; Y145-L156 HydrophobicContact CE2-CD1 3.89Å; Y145-L156 HydrophobicContact CG-CB 4.32Å; Y145-L156 HydrophobicContact CG-CD1 3.91Å; Y145-L156 WeakPolarHBondContact O-CB 3.35Å; Y145-L156 PolarHBondContact O-N 3.46Å; E147-L156 HydrophobicContact CB-CD1 4.1Å; E147-L156 HydrophobicContact CB-CD2 3.88Å; E147-L156 HydrophobicContact CB-CG 4.04Å; L156-G198 WeakPolarHBondContact O-CA 3.18Å; L156-T201 HydrophobicContact CD2-CG2 4.37Å; L156-T201 WeakPolarHBondContact O-CB 3.45Å; L156-T201 PolarHBondContact O-OG1 3.15Å; L156-R202 HydrophobicContact CD1-CB 4.36Å; L156-R202 HydrophobicContact CD2-CB 4.09Å |
| 157 | L | 90.6 | Very high | 83.9 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -108.2 | -4.5 | -177.2 | -48.7 | 175.3 | 0 | 0 | 0 | 112.9 | Y145 D155 S181 F183 V194 | Y145-L157 HydrophobicContact CD1-CD2 4.49Å; D155-L157 VanDerWaalsContact C-N 3.31Å; D155-L157 PolarHBondContact OD1-N 3.06Å; L157-S181 WeakPolarHBondContact CB-OG 3.43Å; L157-F183 HydrophobicContact CB-CD2 4.12Å; L157-F183 HydrophobicContact CB-CE2 3.55Å; L157-F183 HydrophobicContact CB-CZ 4.42Å; L157-F183 HydrophobicContact CD1-CD2 3.78Å; L157-F183 HydrophobicContact CD1-CE2 4.1Å; L157-F183 HydrophobicContact CG-CE2 4.43Å; L157-V194 HydrophobicContact CD1-CG1 3.5Å; L157-V194 VanDerWaalsContact CD1-CG1 3.5Å; L157-V194 HydrophobicContact CD2-CG1 3.75Å; L157-V194 WeakPolarHBondContact CD2-O 3.23Å; L157-V194 HydrophobicContact CG-CG1 4.27Å |
| 158 | S | 86.3 | Confident | 83.7 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | trans | -71 | 143.2 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | D155 E160 | D155-S158 PolarHBondContact OD1-N 3.41Å; S158-E160 PolarHBondContact O-N 2.99Å; S158-E160 PolarHBondContact OG-N 3.11Å; S158-E160 VanDerWaalsContact OG-N 3.1Å | ||
| 159 | K | 76.8 | Confident | 83.3 | Confident | 205 Ų | 205 | 70.2 Ų | 70.2 | 89% | 0.891 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -75 | -13.1 | 172 | -62.5 | -176.7 | -179.3 | -178.9 | 0 | 113.1 | P161 | K159-P161 WeakPolarHBondContact O-CD 3.41Š|
| 160 | E | 76.3 | Confident | 82.7 | Confident | 134 Ų | 134 | 71.4 Ų | 71.4 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -107.4 | 86.7 | -179.7 | -67 | -178.6 | -178.2 | 0 | 0 | 110.3 | S158 G162 K163 | S158-E160 PolarHBondContact O-N 2.99Å; S158-E160 PolarHBondContact OG-N 3.11Å; S158-E160 VanDerWaalsContact OG-N 3.1Å; E160-G162 PolarHBondContact O-N 3.35Å; E160-K163 PolarHBondContact O-N 3.43Å |
| 161 | P | 64.1 | Low | 82 | Confident | 120 Ų | 120 | 75.3 Ų | 75.3 | 78% | 0.779 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 98.5 | 178.7 | 28.1 | -33.7 | 0 | 0 | 0 | 109.4 | K159 | K159-P161 WeakPolarHBondContact O-CD 3.41Š|
| 162 | G | 64.8 | Low | 80.8 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 74% | 0.742 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 142.5 | -10.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | E160 R164 | E160-G162 PolarHBondContact O-N 3.35Å; G162-R164 PolarHBondContact O-N 2.84Å |
| 163 | K | 76.9 | Confident | 79.6 | Confident | 92 Ų | 92 | 83.3 Ų | 83.3 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 116.4 | 172.1 | -172.4 | 179.7 | 176.6 | -172.6 | 0 | 109.4 | E160 L165 D179 | E160-K163 PolarHBondContact O-N 3.43Å; K163-L165 HydrophobicContact CD-CD2 4.35Å; K163-L165 HydrophobicContact CG-CD2 4.36Å; K163-D179 VanDerWaalsContact NZ-CB 3.32Å; K163-D179 IonicContact NZ-OD2 3.21Å; K163-D179 PolarHBondContact NZ-OD2 3.09Å |
| 164 | R | 75.5 | Confident | 78.9 | Confident | 174 Ų | 174 | 84 Ų | 84 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 128.7 | 173.1 | -68.8 | -179.5 | 173.2 | -165.7 | -7.9 | 109.2 | E152 G162 | E152-R164 VanDerWaalsContact CD-NH2 3.33Å; E152-R164 IonicContact OE1-CZ 2.77Å; E152-R164 IonicContact OE1-NE 3.98Å; E152-R164 IonicContact OE1-NH1 2.67Å; E152-R164 PolarHBondContact OE1-NH1 3.02Å; E152-R164 IonicContact OE1-NH2 3.99Å; E152-R164 PolarHBondContact OE1-NH2 2.85Å; E152-R164 IonicContact OE2-CZ 3.79Å; E152-R164 IonicContact OE2-NE 3.59Å; E152-R164 PolarHBondContact OE2-NE 3.44Å; E152-R164 IonicContact OE2-NH2 2.77Å; E152-R164 PolarHBondContact OE2-NH2 3.08Å; G162-R164 PolarHBondContact O-N 2.84Å |
| 165 | L | 87.4 | Confident | 78.6 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 8% | 0.084 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -97.3 | 142.7 | 176.7 | -59.4 | -172.9 | 0 | 0 | 0 | 111.3 | I153 D155 K163 I177 D179 L180 | I153-L165 HydrophobicContact CB-CB 4.25Å; I153-L165 HydrophobicContact CG2-CB 4.02Å; I153-L165 HydrophobicContact CG2-CD1 4.31Å; I153-L165 PolarHBondContact O-N 3.1Å; D155-L165 HydrophobicContact CB-CD1 3.84Å; K163-L165 HydrophobicContact CD-CD2 4.35Å; K163-L165 HydrophobicContact CG-CD2 4.36Å; L165-I177 HydrophobicContact CB-CG2 3.58Å; L165-I177 HydrophobicContact CD1-CG2 3.67Å; L165-I177 HydrophobicContact CG-CG2 4.24Å; L165-D179 HydrophobicContact CD2-CB 4.39Å; L165-L180 HydrophobicContact CD1-CB 4.32Å; L165-L180 HydrophobicContact CD1-CD1 3.8Å |
| 166 | E | 86.3 | Confident | 78.3 | Confident | 124 Ų | 124 | 82.9 Ų | 82.9 | 58% | 0.579 | 43% | 0.432 | S | S | * | . | trans | -105.4 | 142.2 | -179.4 | -68.1 | 179 | 172.8 | 0 | 0 | 111.2 | K178 | E166-K178 PolarHBondContact O-N 3.03Š| ||
| 167 | L | 88.9 | Confident | 78.2 | Confident | 19 Ų | 19 | 83.5 Ų | 83.5 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.2 | 170 | -71.2 | 175.6 | 0 | 0 | 0 | 110.2 | I153 V175 I177 K321 R324 L325 | I153-L167 HydrophobicContact CD1-CD1 4.06Å; I153-L167 HydrophobicContact CD1-CD2 3.6Å; I153-L167 HydrophobicContact CD1-CG 3.55Å; L167-V175 HydrophobicContact CD2-CG1 4.21Å; L167-I177 HydrophobicContact CD2-CD1 4.47Å; L167-I177 HydrophobicContact CD2-CG1 3.52Å; L167-K321 HydrophobicContact CD1-CB 4.1Å; L167-K321 HydrophobicContact CD1-CD 3.52Å; L167-K321 HydrophobicContact CD1-CG 4.4Å; L167-K321 HydrophobicContact CG-CD 4.29Å; L167-R324 HydrophobicContact CD1-CB 3.88Å; L167-L325 HydrophobicContact CD1-CG 4.35Å; L167-L325 HydrophobicContact CD2-CD1 4.22Å; L167-L325 HydrophobicContact CD2-CD2 3.37Å; L167-L325 HydrophobicContact CD2-CG 3.67Å |
| 168 | K | 86.5 | Confident | 77.9 | Confident | 82 Ų | 82 | 87.2 Ų | 87.2 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 157.6 | 172.9 | -68.4 | -162.3 | 169.2 | -162.4 | 0 | 110.4 | V175 Y176 K178 | K168-V175 WeakPolarHBondContact O-CA 3.46Å; K168-Y176 HydrophobicContact CB-CD1 4.36Å; K168-Y176 HydrophobicContact CB-CE1 3.77Å; K168-Y176 HydrophobicContact CB-CE2 4.06Å; K168-Y176 PolarHBondContact N-O 3.32Å; K168-Y176 PolarHBondContact O-N 3.39Å; K168-Y176 VanDerWaalsContact O-O 3.09Å; K168-K178 HydrophobicContact CD-CB 4.17Å; K168-K178 HydrophobicContact CD-CD 4.12Å; K168-K178 HydrophobicContact CG-CB 4.31Å |
| 169 | E | 82.3 | Confident | 77.9 | Confident | 82 Ų | 82 | 89.8 Ų | 89.8 | 38% | 0.383 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.9 | 178.1 | -60.4 | -177.4 | -179.2 | 0 | 0 | 108 | V175 R318 R324 | E169-V175 HydrophobicContact CG-CG1 4.45Å; E169-V175 HydrophobicContact CG-CG2 4.08Å; E169-R318 IonicContact OE2-NH2 3.43Å; E169-R318 PolarHBondContact OE2-NH2 2.7Å; E169-R324 IonicContact OE1-CZ 3.3Å; E169-R324 IonicContact OE1-NE 3.76Å; E169-R324 PolarHBondContact OE1-NE 3.33Å; E169-R324 IonicContact OE1-NH2 2.86Å; E169-R324 PolarHBondContact OE1-NH2 2.91Å |
| 170 | N | 73.9 | Confident | 78.5 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 30% | 0.299 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.4 | 171.2 | 175.2 | -14.3 | 0 | 0 | 0 | 108.1 | E172 T173 G174 Y176 | N170-E172 PolarHBondContact O-N 3.04Å; N170-E172 VanDerWaalsContact O-N 3.15Å; N170-E172 PolarHBondContact OD1-N 3.44Å; N170-T173 WeakPolarHBondContact CB-OG1 3.31Å; N170-T173 PolarHBondContact O-N 3.44Å; N170-G174 PolarHBondContact N-O 2.94Å; N170-G174 WeakPolarHBondContact O-CA 3.48Å; N170-G174 PolarHBondContact O-N 3.07Å; N170-Y176 HydrophobicContact CB-CD1 4.3Å; N170-Y176 HydrophobicContact CB-CE1 3.79Å |
| 171 | P | 66.9 | Low | 79.1 | Confident | 138 Ų | 138 | 76.7 Ų | 76.7 | 90% | 0.896 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -31.7 | 176.6 | -28.5 | 35 | 0 | 0 | 0 | 115.2 | ||
| 172 | E | 62 | Low | 80.2 | Confident | 174 Ų | 174 | 73.7 Ų | 73.7 | 81% | 0.813 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -43.4 | -177.5 | -66.5 | -178.7 | 171.2 | 0 | 0 | 113 | N170 | N170-E172 PolarHBondContact O-N 3.04Å; N170-E172 VanDerWaalsContact O-N 3.15Å; N170-E172 PolarHBondContact OD1-N 3.44Å |
| 173 | T | 63.3 | Low | 81.4 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -5.3 | -173.4 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | N170 | N170-T173 WeakPolarHBondContact CB-OG1 3.31Å; N170-T173 PolarHBondContact O-N 3.44Å |
| 174 | G | 74.5 | Confident | 82.1 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.3 | -150 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N170 | N170-G174 PolarHBondContact N-O 2.94Å; N170-G174 WeakPolarHBondContact O-CA 3.48Å; N170-G174 PolarHBondContact O-N 3.07Å |
| 175 | V | 84.4 | Confident | 82.8 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125 | 179.1 | -170.6 | 0 | 0 | 0 | 0 | 109.6 | L167 K168 E169 | L167-V175 HydrophobicContact CD2-CG1 4.21Å; K168-V175 WeakPolarHBondContact O-CA 3.46Å; E169-V175 HydrophobicContact CG-CG1 4.45Å; E169-V175 HydrophobicContact CG-CG2 4.08Å |
| 176 | Y | 85.8 | Confident | 82.8 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 35% | 0.345 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 162.2 | 177.9 | 72 | -82.8 | 0 | 0 | 0 | 112.1 | K168 N170 | K168-Y176 HydrophobicContact CB-CD1 4.36Å; K168-Y176 HydrophobicContact CB-CE1 3.77Å; K168-Y176 HydrophobicContact CB-CE2 4.06Å; K168-Y176 PolarHBondContact N-O 3.32Å; K168-Y176 PolarHBondContact O-N 3.39Å; K168-Y176 VanDerWaalsContact O-O 3.09Å; N170-Y176 HydrophobicContact CB-CD1 4.3Å; N170-Y176 HydrophobicContact CB-CE1 3.79Å |
| 177 | I | 89.3 | Confident | 83 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.6 | 178.2 | -61.1 | 161.7 | 0 | 0 | 0 | 108.2 | L146 I153 L165 L167 L180 L325 | L146-I177 HydrophobicContact CD2-CD1 3.31Å; L146-I177 HydrophobicContact CG-CD1 4.45Å; I153-I177 HydrophobicContact CD1-CD1 4.26Å; I153-I177 HydrophobicContact CD1-CG1 4.16Å; I153-I177 HydrophobicContact CG2-CD1 4.06Å; I153-I177 HydrophobicContact CG2-CG2 4.36Å; L165-I177 HydrophobicContact CB-CG2 3.58Å; L165-I177 HydrophobicContact CD1-CG2 3.67Å; L165-I177 HydrophobicContact CG-CG2 4.24Å; L167-I177 HydrophobicContact CD2-CD1 4.47Å; L167-I177 HydrophobicContact CD2-CG1 3.52Å; I177-L180 HydrophobicContact CB-CB 3.99Å; I177-L180 HydrophobicContact CB-CD2 4.36Å; I177-L180 HydrophobicContact CD1-CD2 4.12Å; I177-L180 HydrophobicContact CG2-CB 3.93Å; I177-L325 HydrophobicContact CD1-CD1 4.05Å; I177-L325 HydrophobicContact CD1-CD2 3.82Å; I177-L325 HydrophobicContact CG1-CD2 3.8Å |
| 178 | K | 84.8 | Confident | 83.3 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 136.1 | 177 | -176.4 | -174.4 | 169.6 | -161.5 | 0 | 109.6 | E166 K168 L180 | E166-K178 PolarHBondContact O-N 3.03Å; K168-K178 HydrophobicContact CD-CB 4.17Å; K168-K178 HydrophobicContact CD-CD 4.12Å; K168-K178 HydrophobicContact CG-CB 4.31Å; K178-L180 PolarHBondContact O-N 3.46Å |
| 179 | D | 85.4 | Confident | 83.6 | Confident | 90 Ų | 90 | 74.7 Ų | 74.7 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 22.7 | 177.8 | -50 | -21 | 0 | 0 | 0 | 114.9 | K163 L165 S181 | K163-D179 VanDerWaalsContact NZ-CB 3.32Å; K163-D179 IonicContact NZ-OD2 3.21Å; K163-D179 PolarHBondContact NZ-OD2 3.09Å; L165-D179 HydrophobicContact CD2-CB 4.39Å; D179-S181 PolarHBondContact O-N 3.37Å |
| 180 | L | 88.7 | Confident | 84.2 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 19% | 0.194 | 39% | 0.386 | C | S | . | . | trans | -67.1 | 127.4 | 170.5 | -178 | 67.2 | 0 | 0 | 0 | 109.6 | L146 D155 L165 I177 K178 I221 | L146-L180 HydrophobicContact CB-CD1 4.12Å; L146-L180 HydrophobicContact CD2-CD1 4.23Å; L146-L180 HydrophobicContact CD2-CD2 3.86Å; D155-L180 HydrophobicContact CB-CD1 4.35Å; L165-L180 HydrophobicContact CD1-CB 4.32Å; L165-L180 HydrophobicContact CD1-CD1 3.8Å; I177-L180 HydrophobicContact CB-CB 3.99Å; I177-L180 HydrophobicContact CB-CD2 4.36Å; I177-L180 HydrophobicContact CD1-CD2 4.12Å; I177-L180 HydrophobicContact CG2-CB 3.93Å; K178-L180 PolarHBondContact O-N 3.46Å; L180-I221 HydrophobicContact CD2-CD1 4.41Å | ||
| 181 | S | 88.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 71.5 Ų | 71.5 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | trans | -66.7 | 144.3 | 177.8 | 69 | 0 | 0 | 0 | 0 | 111.4 | S144 D155 L157 D179 | S144-S181 VanDerWaalsContact CB-O 3.31Å; S144-S181 WeakPolarHBondContact CB-O 3.17Å; S144-S181 PolarHBondContact OG-O 3.09Å; D155-S181 PolarHBondContact OD1-OG 3.33Å; D155-S181 WeakPolarHBondContact OD2-CB 3.43Å; D155-S181 PolarHBondContact OD2-N 3.5Å; D155-S181 PolarHBondContact OD2-OG 3Å; L157-S181 WeakPolarHBondContact CB-OG 3.43Å; D179-S181 PolarHBondContact O-N 3.37Å | ||
| 182 | S | 88.4 | Confident | 86.5 | Confident | 57 Ų | 57 | 67.5 Ų | 67.5 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | trans | -140.4 | 126.3 | -179.9 | -162.2 | 0 | 0 | 0 | 0 | 109.2 | R142 A143 S144 | R142-S182 WeakPolarHBondContact CB-OG 3.41Å; A143-S182 WeakPolarHBondContact O-CA 3.45Å; S144-S182 WeakPolarHBondContact OG-CA 3.25Å; S144-S182 WeakPolarHBondContact OG-CB 3.25Å; S144-S182 PolarHBondContact OG-OG 2.99Å | ||
| 183 | F | 90.2 | Very high | 88 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.2 | -176.5 | -72.2 | -98.6 | 0 | 0 | 0 | 109.8 | R142 A143 L157 V194 | R142-F183 CarbonylContact C-O 3.53Å; R142-F183 VanDerWaalsContact CA-O 3.26Å; R142-F183 WeakPolarHBondContact CA-O 3.26Å; A143-F183 PolarHBondContact N-O 2.77Å; A143-F183 PolarHBondContact O-N 3.35Å; L157-F183 HydrophobicContact CB-CD2 4.12Å; L157-F183 HydrophobicContact CB-CE2 3.55Å; L157-F183 HydrophobicContact CB-CZ 4.42Å; L157-F183 HydrophobicContact CD1-CD2 3.78Å; L157-F183 HydrophobicContact CD1-CE2 4.1Å; L157-F183 HydrophobicContact CG-CE2 4.43Å; F183-V194 HydrophobicContact CB-CG2 3.94Å; F183-V194 HydrophobicContact CG-CG2 4.34Å |
| 184 | V | 90.9 | Very high | 89.5 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 130.2 | 173.1 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | L140 R142 | L140-V184 HydrophobicContact CD1-CG1 3.6Å; L140-V184 HydrophobicContact CD1-CG2 4.24Å; R142-V184 HydrophobicContact CG-CG2 4.07Å |
| 185 | T | 90.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | trans | -126.2 | 126.2 | -177.9 | 56.4 | 0 | 0 | 0 | 0 | 110 | F128 V141 A143 E190 I191 V194 | F128-T185 WeakPolarHBondContact CZ-O 3.49Å; V141-T185 PolarHBondContact O-N 3.33Å; A143-T185 HydrophobicContact CB-CG2 4.37Å; T185-E190 HydrophobicContact CG2-CB 4.36Å; T185-I191 HydrophobicContact CG2-CB 3.81Å; T185-I191 HydrophobicContact CG2-CG1 4.2Å; T185-V194 HydrophobicContact CG2-CG2 4.06Å | ||
| 186 | K | 87.1 | Confident | 90.7 | Very high | 165 Ų | 165 | 63 Ų | 63 | 72% | 0.717 | 31% | 0.31 | S | S | * | . | trans | -99.1 | -17.9 | -174.8 | -60.3 | 177.3 | -177.8 | 177.7 | 0 | 113.9 | F128 E190 | F128-K186 WeakPolarHBondContact CE1-O 3.47Å; K186-E190 PolarHBondContact N-OE2 3.07Å | ||
| 187 | N | 90.7 | Very high | 90.9 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 34% | 0.342 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -150.5 | 169.8 | -178.9 | 58.5 | 67 | 0 | 0 | 0 | 111 | K189 E190 I191 | N187-K189 VanDerWaalsContact C-N 3.28Å; N187-K189 PolarHBondContact O-N 3.02Å; N187-K189 WeakPolarHBondContact OD1-CB 3.36Å; N187-K189 PolarHBondContact OD1-N 3.38Å; N187-K189 VanDerWaalsContact OD1-N 3.11Å; N187-E190 PolarHBondContact ND2-OE1 2.81Å; N187-E190 PolarHBondContact O-N 3.48Å; N187-E190 PolarHBondContact OD1-N 3.31Å; N187-I191 PolarHBondContact O-N 2.98Å |
| 188 | V | 94.6 | Very high | 91 | Very high | 41 Ų | 41 | 61.1 Ų | 61.1 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -39.9 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | F124 E125 F128 E190 I191 E192 | F124-V188 HydrophobicContact CB-CG1 4.26Å; E125-V188 HydrophobicContact CG-CG1 4.22Å; F128-V188 HydrophobicContact CB-CG2 3.7Å; F128-V188 HydrophobicContact CD2-CG2 3.82Å; F128-V188 HydrophobicContact CG-CG2 4.04Å; V188-E190 PolarHBondContact O-N 3.42Å; V188-I191 WeakPolarHBondContact O-CG2 3.39Å; V188-I191 PolarHBondContact O-N 3.32Å; V188-E192 VanDerWaalsContact O-CB 3.26Å; V188-E192 WeakPolarHBondContact O-CB 3.46Å; V188-E192 PolarHBondContact O-N 3.05Å |
| 189 | K | 93.6 | Very high | 91.1 | Very high | 164 Ų | 164 | 58.8 Ų | 58.8 | 71% | 0.713 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.9 | -36.9 | -177.9 | -60.8 | -175.5 | 178.3 | -178.4 | 0 | 112.2 | N187 H193 | N187-K189 VanDerWaalsContact C-N 3.28Å; N187-K189 PolarHBondContact O-N 3.02Å; N187-K189 WeakPolarHBondContact OD1-CB 3.36Å; N187-K189 PolarHBondContact OD1-N 3.38Å; N187-K189 VanDerWaalsContact OD1-N 3.11Å; K189-H193 WeakPolarHBondContact O-CB 3.42Å; K189-H193 PolarHBondContact O-N 3.11Å |
| 190 | E | 94.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 177.1 | -75.9 | 174.9 | -152.9 | 0 | 0 | 111.9 | T185 K186 N187 V188 H193 V194 | T185-E190 HydrophobicContact CG2-CB 4.36Å; K186-E190 PolarHBondContact N-OE2 3.07Å; N187-E190 PolarHBondContact ND2-OE1 2.81Å; N187-E190 PolarHBondContact O-N 3.48Å; N187-E190 PolarHBondContact OD1-N 3.31Å; V188-E190 PolarHBondContact O-N 3.42Å; E190-H193 WeakPolarHBondContact O-CB 3.32Å; E190-H193 PolarHBondContact O-N 3.15Å; E190-V194 WeakPolarHBondContact O-CG2 3.44Å; E190-V194 PolarHBondContact O-N 3.01Å |
| 191 | I | 95.3 | Very high | 91 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.8 | -34.3 | 178.2 | -166.2 | 164.6 | 0 | 0 | 0 | 112.2 | F124 F128 A143 T185 N187 V188 H193 V194 M195 F220 I222 | F124-I191 HydrophobicContact CB-CG2 3.92Å; F124-I191 HydrophobicContact CD1-CD1 3.81Å; F124-I191 HydrophobicContact CD1-CG1 4.2Å; F124-I191 HydrophobicContact CD1-CG2 4.17Å; F124-I191 HydrophobicContact CD2-CG1 4.49Å; F124-I191 HydrophobicContact CD2-CG2 3.66Å; F124-I191 HydrophobicContact CE1-CD1 3.75Å; F124-I191 HydrophobicContact CE1-CG1 3.93Å; F124-I191 HydrophobicContact CE2-CG1 4.22Å; F124-I191 HydrophobicContact CE2-CG2 4.13Å; F124-I191 HydrophobicContact CG-CD1 4.42Å; F124-I191 HydrophobicContact CG-CG1 4.47Å; F124-I191 HydrophobicContact CG-CG2 3.66Å; F124-I191 HydrophobicContact CZ-CD1 4.27Å; F124-I191 HydrophobicContact CZ-CG1 3.93Å; F128-I191 HydrophobicContact CD2-CG2 4.38Å; F128-I191 HydrophobicContact CE2-CB 4.23Å; F128-I191 HydrophobicContact CE2-CD1 4.43Å; F128-I191 HydrophobicContact CE2-CG2 3.69Å; A143-I191 HydrophobicContact CB-CD1 4.06Å; A143-I191 HydrophobicContact CB-CG1 4.02Å; T185-I191 HydrophobicContact CG2-CB 3.81Å; T185-I191 HydrophobicContact CG2-CG1 4.2Å; N187-I191 PolarHBondContact O-N 2.98Å; V188-I191 WeakPolarHBondContact O-CG2 3.39Å; V188-I191 PolarHBondContact O-N 3.32Å; I191-H193 VanDerWaalsContact C-N 3.34Å; I191-V194 PolarHBondContact O-N 3.26Å; I191-M195 PolarHBondContact O-N 3Å; I191-F220 HydrophobicContact CD1-CE1 4.15Å; I191-F220 HydrophobicContact CD1-CZ 4.4Å; I191-F220 HydrophobicContact CG1-CE1 4.18Å; I191-F220 HydrophobicContact CG1-CZ 3.95Å; I191-I222 HydrophobicContact CD1-CD1 4.07Å; I191-I222 HydrophobicContact CD1-CG1 4.29Å; I191-I222 HydrophobicContact CD1-CG2 4.36Å |
| 192 | E | 93.8 | Very high | 90.7 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 171.9 | -179.7 | 178.2 | -171.9 | 0 | 0 | 111 | W111 V188 V194 M195 N196 | W111-E192 HydrophobicContact CE3-CG 3.97Å; W111-E192 HydrophobicContact CZ3-CB 4.37Å; W111-E192 HydrophobicContact CZ3-CG 3.76Å; V188-E192 VanDerWaalsContact O-CB 3.26Å; V188-E192 WeakPolarHBondContact O-CB 3.46Å; V188-E192 PolarHBondContact O-N 3.05Å; E192-V194 PolarHBondContact O-N 3.04Å; E192-M195 PolarHBondContact O-N 2.96Å; E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 VanDerWaalsContact O-CG 3.31Å; E192-N196 PolarHBondContact O-N 3.36Å; E192-N196 PolarHBondContact O-ND2 3.12Å |
| 193 | H | 93.1 | Very high | 89.9 | Confident | 129 Ų | 129 | 60.4 Ų | 60.4 | 60% | 0.597 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 174.4 | -177 | 70.4 | 0 | 0 | 0 | 112.3 | K189 E190 I191 M195 N196 L197 | K189-H193 WeakPolarHBondContact O-CB 3.42Å; K189-H193 PolarHBondContact O-N 3.11Å; E190-H193 WeakPolarHBondContact O-CB 3.32Å; E190-H193 PolarHBondContact O-N 3.15Å; I191-H193 VanDerWaalsContact C-N 3.34Å; H193-M195 VanDerWaalsContact C-N 3.31Å; H193-M195 PolarHBondContact O-N 3.45Å; H193-N196 PolarHBondContact O-N 3.05Å; H193-L197 WeakPolarHBondContact O-CB 3.4Å; H193-L197 PolarHBondContact O-N 3.07Å |
| 194 | V | 94.1 | Very high | 88.6 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 111 | A143 L157 F183 T185 E190 I191 E192 L197 G198 | A143-V194 HydrophobicContact CB-CG1 4.17Å; L157-V194 HydrophobicContact CD1-CG1 3.5Å; L157-V194 VanDerWaalsContact CD1-CG1 3.5Å; L157-V194 HydrophobicContact CD2-CG1 3.75Å; L157-V194 WeakPolarHBondContact CD2-O 3.23Å; L157-V194 HydrophobicContact CG-CG1 4.27Å; F183-V194 HydrophobicContact CB-CG2 3.94Å; F183-V194 HydrophobicContact CG-CG2 4.34Å; T185-V194 HydrophobicContact CG2-CG2 4.06Å; E190-V194 WeakPolarHBondContact O-CG2 3.44Å; E190-V194 PolarHBondContact O-N 3.01Å; I191-V194 PolarHBondContact O-N 3.26Å; E192-V194 PolarHBondContact O-N 3.04Å; V194-L197 PolarHBondContact O-N 2.85Å; V194-G198 PolarHBondContact O-N 3.19Å; V194-G198 VanDerWaalsContact O-N 3.14Å |
| 195 | M | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 177.3 | -176.3 | 168.2 | 179.1 | 0 | 0 | 112.7 | Q108 W111 I120 F124 I191 E192 H193 L197 G198 N199 F220 | Q108-M195 HydrophobicContact CB-CE 4.34Å; Q108-M195 HydrophobicContact CG-CE 3.62Å; W111-M195 HydrophobicContact CH2-CE 4.34Å; W111-M195 HydrophobicContact CH2-SD 3.49Å; W111-M195 WeakPolarHBondContact CH2-SD 3.4Å; W111-M195 HydrophobicContact CZ2-CE 3.56Å; W111-M195 HydrophobicContact CZ2-CG 4.44Å; W111-M195 HydrophobicContact CZ2-SD 3.29Å; W111-M195 WeakPolarHBondContact CZ2-SD 3.45Å; I120-M195 HydrophobicContact CB-CE 4.32Å; I120-M195 HydrophobicContact CB-SD 4.43Å; I120-M195 HydrophobicContact CD1-CE 3.84Å; I120-M195 HydrophobicContact CG2-CE 3.88Å; I120-M195 HydrophobicContact CG2-SD 3.44Å; I120-M195 WeakPolarHBondContact CG2-SD 3.43Å; F124-M195 HydrophobicContact CE2-CB 4.36Å; F124-M195 HydrophobicContact CE2-SD 3.88Å; F124-M195 HydrophobicContact CZ-CB 4.45Å; F124-M195 HydrophobicContact CZ-SD 3.84Å; I191-M195 PolarHBondContact O-N 3Å; E192-M195 PolarHBondContact O-N 2.96Å; H193-M195 VanDerWaalsContact C-N 3.31Å; H193-M195 PolarHBondContact O-N 3.45Å; M195-L197 VanDerWaalsContact C-N 3.32Å; M195-L197 PolarHBondContact O-N 2.76Å; M195-G198 PolarHBondContact O-N 3.21Å; M195-N199 WeakPolarHBondContact O-CB 3.15Å; M195-N199 PolarHBondContact O-N 2.92Å; M195-F220 HydrophobicContact CB-CE2 3.84Å; M195-F220 HydrophobicContact CB-CZ 4.3Å; M195-F220 HydrophobicContact CG-CD2 4.45Å; M195-F220 HydrophobicContact CG-CE2 4.21Å |
| 196 | N | 91.8 | Very high | 85.1 | Confident | 58 Ų | 58 | 62 Ų | 62 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.6 | -74.7 | -27.9 | 0 | 0 | 0 | 111.7 | E192 H193 N199 Q200 | E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 VanDerWaalsContact O-CG 3.31Å; E192-N196 PolarHBondContact O-N 3.36Å; E192-N196 PolarHBondContact O-ND2 3.12Å; H193-N196 PolarHBondContact O-N 3.05Å; N196-N199 PolarHBondContact O-N 2.98Å; N196-Q200 VanDerWaalsContact O-CG 3.32Å; N196-Q200 WeakPolarHBondContact O-CG 3.46Å; N196-Q200 PolarHBondContact O-N 3.08Å |
| 197 | L | 91 | Very high | 83 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 34% | 0.335 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 173.9 | -180 | 63.2 | 0 | 0 | 0 | 111.2 | H193 V194 M195 N199 Q200 T201 | H193-L197 WeakPolarHBondContact O-CB 3.4Å; H193-L197 PolarHBondContact O-N 3.07Å; V194-L197 PolarHBondContact O-N 2.85Å; M195-L197 VanDerWaalsContact C-N 3.32Å; M195-L197 PolarHBondContact O-N 2.76Å; L197-N199 VanDerWaalsContact C-N 3.35Å; L197-N199 PolarHBondContact O-N 3.29Å; L197-Q200 WeakPolarHBondContact O-CB 3.29Å; L197-Q200 PolarHBondContact O-N 3.47Å; L197-T201 PolarHBondContact O-N 3.49Å; L197-T201 PolarHBondContact O-OG1 2.84Å; L197-T201 VanDerWaalsContact O-OG1 3.14Å |
| 198 | G | 90.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67 | -33.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L156 V194 M195 T201 R202 | L156-G198 WeakPolarHBondContact O-CA 3.18Å; V194-G198 PolarHBondContact O-N 3.19Å; V194-G198 VanDerWaalsContact O-N 3.14Å; M195-G198 PolarHBondContact O-N 3.21Å; G198-T201 PolarHBondContact O-N 2.89Å; G198-R202 WeakPolarHBondContact O-CB 3.41Å; G198-R202 PolarHBondContact O-N 3.4Å |
| 199 | N | 88.1 | Confident | 77.9 | Confident | 35 Ų | 35 | 70 Ų | 70 | 19% | 0.187 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 173.3 | -78.5 | -16.4 | 0 | 0 | 0 | 112 | Q108 Y145 M195 N196 L197 R202 A203 | Q108-N199 PolarHBondContact NE2-OD1 3.44Å; Y145-N199 WeakPolarHBondContact CE1-OD1 3.47Å; Y145-N199 PolarHBondContact OH-OD1 3.31Å; M195-N199 WeakPolarHBondContact O-CB 3.15Å; M195-N199 PolarHBondContact O-N 2.92Å; N196-N199 PolarHBondContact O-N 2.98Å; L197-N199 VanDerWaalsContact C-N 3.35Å; L197-N199 PolarHBondContact O-N 3.29Å; N199-R202 PolarHBondContact O-N 3.37Å; N199-A203 WeakPolarHBondContact O-CB 3.5Å; N199-A203 PolarHBondContact O-N 3.03Å |
| 200 | Q | 86.4 | Confident | 75.4 | Confident | 125 Ų | 125 | 64 Ų | 64 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.9 | -46.5 | 173.3 | -72.1 | 172.2 | 15 | 0 | 0 | 111.2 | N196 L197 R202 A203 V204 | N196-Q200 VanDerWaalsContact O-CG 3.32Å; N196-Q200 WeakPolarHBondContact O-CG 3.46Å; N196-Q200 PolarHBondContact O-N 3.08Å; L197-Q200 WeakPolarHBondContact O-CB 3.29Å; L197-Q200 PolarHBondContact O-N 3.47Å; Q200-R202 VanDerWaalsContact C-N 3.31Å; Q200-R202 PolarHBondContact O-N 3.16Å; Q200-A203 PolarHBondContact O-N 3.33Å; Q200-A203 VanDerWaalsContact O-N 3.14Å; Q200-V204 WeakPolarHBondContact O-CG2 3.1Å; Q200-V204 PolarHBondContact O-N 3.36Å |
| 201 | T | 84.8 | Confident | 73.5 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 175.5 | -54 | 0 | 0 | 0 | 0 | 111.5 | L156 L197 G198 A203 V204 G205 | L156-T201 HydrophobicContact CD2-CG2 4.37Å; L156-T201 WeakPolarHBondContact O-CB 3.45Å; L156-T201 PolarHBondContact O-OG1 3.15Å; L197-T201 PolarHBondContact O-N 3.49Å; L197-T201 PolarHBondContact O-OG1 2.84Å; L197-T201 VanDerWaalsContact O-OG1 3.14Å; G198-T201 PolarHBondContact O-N 2.89Å; T201-A203 VanDerWaalsContact C-N 3.33Å; T201-A203 PolarHBondContact O-N 3.33Å; T201-V204 PolarHBondContact O-N 3.37Å; T201-G205 PolarHBondContact O-N 3.42Å |
| 202 | R | 83.1 | Confident | 71.6 | Confident | 21 Ų | 21 | 68 Ų | 68 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 176.6 | -166.9 | 177.7 | -176.2 | -162.6 | -1.4 | 112 | E147 L156 G198 N199 Q200 G205 S216 | E147-R202 IonicContact OE1-NE 3.6Å; E147-R202 PolarHBondContact OE1-NE 3.48Å; L156-R202 HydrophobicContact CD1-CB 4.36Å; L156-R202 HydrophobicContact CD2-CB 4.09Å; G198-R202 WeakPolarHBondContact O-CB 3.41Å; G198-R202 PolarHBondContact O-N 3.4Å; N199-R202 PolarHBondContact O-N 3.37Å; Q200-R202 VanDerWaalsContact C-N 3.31Å; Q200-R202 PolarHBondContact O-N 3.16Å; R202-G205 PolarHBondContact O-N 3.24Å; R202-S216 PolarHBondContact NE-OG 3.48Å; R202-S216 PolarHBondContact NH2-O 2.97Å; R202-S216 VanDerWaalsContact NH2-O 3.13Å; R202-S216 PolarHBondContact NH2-OG 3.05Å |
| 203 | A | 69.9 | Low | 70 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.1 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N199 Q200 T201 G205 S206 | N199-A203 WeakPolarHBondContact O-CB 3.5Å; N199-A203 PolarHBondContact O-N 3.03Å; Q200-A203 PolarHBondContact O-N 3.33Å; Q200-A203 VanDerWaalsContact O-N 3.14Å; T201-A203 VanDerWaalsContact C-N 3.33Å; T201-A203 PolarHBondContact O-N 3.33Å; A203-G205 PolarHBondContact O-N 2.97Å; A203-S206 WeakPolarHBondContact O-CA 3.28Å; A203-S206 WeakPolarHBondContact O-CB 3.49Å; A203-S206 PolarHBondContact O-N 3.22Å; A203-S206 PolarHBondContact O-OG 3.03Å |
| 204 | V | 62.8 | Low | 68.8 | Low | 107 Ų | 107 | 62.9 Ų | 62.9 | 65% | 0.648 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.8 | -32.5 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | Q200 T201 S206 T207 | Q200-V204 WeakPolarHBondContact O-CG2 3.1Å; Q200-V204 PolarHBondContact O-N 3.36Å; T201-V204 PolarHBondContact O-N 3.37Å; V204-S206 PolarHBondContact O-N 3.46Å; V204-T207 PolarHBondContact O-N 3.03Å; V204-T207 PolarHBondContact O-OG1 3.1Å; V204-T207 VanDerWaalsContact O-OG1 3.04Å |
| 205 | G | 55.6 | Low | 67.9 | Low | 53 Ų | 53 | 65.4 Ų | 65.4 | 55% | 0.546 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T201 R202 A203 | T201-G205 PolarHBondContact O-N 3.42Å; R202-G205 PolarHBondContact O-N 3.24Å; A203-G205 PolarHBondContact O-N 2.97Å |
| 206 | S | 53.4 | Low | 67.5 | Low | 39 Ų | 39 | 65.4 Ų | 65.4 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10.9 | -175.8 | 76.8 | 0 | 0 | 0 | 0 | 115.2 | A203 V204 H208 | A203-S206 WeakPolarHBondContact O-CA 3.28Å; A203-S206 WeakPolarHBondContact O-CB 3.49Å; A203-S206 PolarHBondContact O-N 3.22Å; A203-S206 PolarHBondContact O-OG 3.03Å; V204-S206 PolarHBondContact O-N 3.46Å; S206-H208 PolarHBondContact O-N 3.16Å; S206-H208 VanDerWaalsContact O-N 3.09Å |
| 207 | T | 43.3 | Very low | 67.5 | Low | 112 Ų | 112 | 62.8 Ų | 62.8 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 12.3 | -171.3 | 54.4 | 0 | 0 | 0 | 0 | 115.6 | V204 | V204-T207 PolarHBondContact O-N 3.03Å; V204-T207 PolarHBondContact O-OG1 3.1Å; V204-T207 VanDerWaalsContact O-OG1 3.04Å |
| 208 | H | 39.9 | Very low | 67.6 | Low | 176 Ų | 176 | 59.9 Ų | 59.9 | 82% | 0.815 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 83.4 | 161.6 | -107.3 | -80.8 | 0 | 0 | 0 | 109.8 | S206 N210 | S206-H208 PolarHBondContact O-N 3.16Å; S206-H208 VanDerWaalsContact O-N 3.09Å; H208-N210 PolarHBondContact O-N 3.06Å |
| 209 | M | 37.3 | Very low | 67.9 | Low | 150 Ų | 150 | 60 Ų | 60 | 74% | 0.739 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 12.1 | 160.6 | -79.5 | -179.1 | 77.8 | 0 | 0 | 120.7 | ||
| 210 | N | 42.6 | Very low | 68.3 | Low | 39 Ų | 39 | 58.4 Ų | 58.4 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -146.4 | 150 | 177.1 | -78.7 | -38.6 | 0 | 0 | 0 | 114.9 | H208 V212 R215 | H208-N210 PolarHBondContact O-N 3.06Å; N210-V212 VanDerWaalsContact C-N 3.35Å; N210-V212 PolarHBondContact O-N 3.22Å; N210-R215 PolarHBondContact ND2-NH1 2.88Å |
| 211 | E | 54.1 | Low | 68.8 | Low | 140 Ų | 140 | 53 Ų | 53 | 65% | 0.654 | 30% | 0.302 | S | S | * | . | trans | -73.8 | 79.3 | 170.7 | -167.9 | 176.3 | -174.2 | 0 | 0 | 110.7 | S213 S214 | E211-S213 VanDerWaalsContact C-N 3.34Å; E211-S213 PolarHBondContact O-N 3.31Å; E211-S214 PolarHBondContact O-N 2.88Å; E211-S214 PolarHBondContact O-OG 3.48Å | ||
| 212 | V | 54.3 | Low | 69.4 | Low | 15 Ų | 15 | 50.7 Ų | 50.7 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -65.4 | -25.5 | -168.7 | 173.3 | 0 | 0 | 0 | 0 | 114.5 | N210 S214 R215 S216 | N210-V212 VanDerWaalsContact C-N 3.35Å; N210-V212 PolarHBondContact O-N 3.22Å; V212-S214 PolarHBondContact O-N 3.24Å; V212-R215 PolarHBondContact O-N 3.01Å; V212-S216 PolarHBondContact O-N 2.86Å; V212-S216 PolarHBondContact O-OG 3.32Å |
| 213 | S | 62.3 | Low | 69.9 | Low | 57 Ų | 57 | 50.8 Ų | 50.8 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -61.8 | -28 | -178.6 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | E211 R215 | E211-S213 VanDerWaalsContact C-N 3.34Å; E211-S213 PolarHBondContact O-N 3.31Å; S213-R215 VanDerWaalsContact C-N 3.25Å; S213-R215 PolarHBondContact O-N 3.31Å |
| 214 | S | 67.6 | Low | 71.1 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -75.4 | -12.7 | 176 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | T99 E211 V212 A248 G249 | T99-S214 WeakPolarHBondContact OG1-CB 3.36Å; E211-S214 PolarHBondContact O-N 2.88Å; E211-S214 PolarHBondContact O-OG 3.48Å; V212-S214 PolarHBondContact O-N 3.24Å; S214-A248 WeakPolarHBondContact O-CB 3.31Å; S214-G249 PolarHBondContact O-N 3.26Å |
| 215 | R | 74.9 | Confident | 72.5 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -0.7 | -165.3 | -65 | -163.5 | -175.8 | 166.6 | 7.3 | 114.2 | Y149 N210 V212 S213 E289 I293 | Y149-R215 HydrophobicContact CE2-CB 4.35Å; N210-R215 PolarHBondContact ND2-NH1 2.88Å; V212-R215 PolarHBondContact O-N 3.01Å; S213-R215 VanDerWaalsContact C-N 3.25Å; S213-R215 PolarHBondContact O-N 3.31Å; R215-E289 WeakPolarHBondContact CD-OE1 3.38Å; R215-E289 IonicContact CZ-OE1 3.63Å; R215-E289 IonicContact NE-OE1 3.91Å; R215-E289 IonicContact NH1-OE1 2.61Å; R215-E289 PolarHBondContact NH1-OE1 2.9Å; R215-E289 IonicContact NH1-OE2 4Å; R215-I293 HydrophobicContact CB-CD1 3.41Å; R215-I293 VanDerWaalsContact CB-CD1 3.41Å; R215-I293 HydrophobicContact CB-CG1 4.22Å; R215-I293 HydrophobicContact CG-CD1 3.55Å; R215-I293 WeakPolarHBondContact O-CG1 3.31Å |
| 216 | S | 85.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -133.4 | 148.6 | 178.5 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | E147 I148 R202 V212 | E147-S216 WeakPolarHBondContact OE1-CB 3.3Å; E147-S216 PolarHBondContact OE1-OG 2.86Å; I148-S216 WeakPolarHBondContact O-CA 3.22Å; R202-S216 PolarHBondContact NE-OG 3.48Å; R202-S216 PolarHBondContact NH2-O 2.97Å; R202-S216 VanDerWaalsContact NH2-O 3.13Å; R202-S216 PolarHBondContact NH2-OG 3.05Å; V212-S216 PolarHBondContact O-N 2.86Å; V212-S216 PolarHBondContact O-OG 3.32Å |
| 217 | H | 91.2 | Very high | 75.7 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.019 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.5 | 173.7 | -51.7 | -71.3 | 0 | 0 | 0 | 108.8 | E147 I148 L247 A248 S296 L297 L322 | E147-H217 CarbonylContact C-O 3.53Å; E147-H217 VanDerWaalsContact CA-O 3.3Å; E147-H217 WeakPolarHBondContact CA-O 3.29Å; I148-H217 HydrophobicContact CB-CB 4.27Å; I148-H217 PolarHBondContact N-O 2.81Å; I148-H217 PolarHBondContact O-N 2.82Å; H217-L247 HydrophobicContact CB-CD2 4.29Å; H217-L247 WeakPolarHBondContact ND1-CA 3.44Å; H217-L247 WeakPolarHBondContact ND1-CD2 3.45Å; H217-A248 VanDerWaalsContact CE1-CB 3.41Å; H217-A248 WeakPolarHBondContact CE1-CB 3.15Å; H217-A248 PolarHBondContact CE1-N 3.06Å; H217-A248 PolarHBondContact ND1-N 2.93Å; H217-S296 PolarHBondContact NE2-OG 2.82Å; H217-L297 VanDerWaalsContact CE1-CD2 3.49Å; H217-L297 WeakPolarHBondContact CE1-CD2 3.37Å; H217-L322 HydrophobicContact CB-CD1 4.28Å |
| 218 | A | 93.1 | Very high | 77.7 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y145 V245 D246 | Y145-A218 HydrophobicContact CE2-CB 4Å; A218-V245 WeakPolarHBondContact O-CA 3.45Å; A218-D246 HydrophobicContact CB-CB 4.49Å; A218-D246 PolarHBondContact N-O 3.45Å; A218-D246 PolarHBondContact O-N 2.97Å |
| 219 | I | 95.9 | Very high | 79.6 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 109.6 | -179.2 | -55.3 | -179.1 | 0 | 0 | 0 | 108.2 | Y145 L146 I148 I221 N243 V245 L322 L325 | Y145-I219 WeakPolarHBondContact CD2-O 3.45Å; L146-I219 HydrophobicContact CD1-CB 3.94Å; L146-I219 HydrophobicContact CD1-CD1 4.18Å; L146-I219 HydrophobicContact CD1-CG1 4.21Å; L146-I219 HydrophobicContact CG-CB 4.01Å; L146-I219 PolarHBondContact N-O 2.95Å; L146-I219 VanDerWaalsContact N-O 3.1Å; L146-I219 PolarHBondContact O-N 2.94Å; I148-I219 HydrophobicContact CD1-CD1 4.1Å; I219-I221 HydrophobicContact CG2-CD1 4.2Å; I219-I221 HydrophobicContact CG2-CG1 3.74Å; I219-N243 HydrophobicContact CG2-CB 4.49Å; I219-V245 HydrophobicContact CG1-CG1 4.06Å; I219-V245 HydrophobicContact CG1-CG2 4.17Å; I219-V245 HydrophobicContact CG2-CG2 4.13Å; I219-L322 HydrophobicContact CD1-CD1 4.28Å; I219-L325 HydrophobicContact CD1-CD1 4.37Å |
| 220 | F | 97.2 | Very high | 81.4 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.3 | 171.1 | -164.5 | -88.9 | 0 | 0 | 0 | 108.8 | F124 A143 Y145 I191 M195 I222 L244 | F124-F220 HydrophobicContact CE1-CD1 4.07Å; F124-F220 AromaticContact CE1-CE1 3.46Å; F124-F220 HydrophobicContact CE1-CE1 3.46Å; F124-F220 VanDerWaalsContact CE1-CE1 3.46Å; F124-F220 HydrophobicContact CE1-CZ 4.11Å; F124-F220 HydrophobicContact CZ-CD1 4.16Å; F124-F220 AromaticContact CZ-CE1 3.49Å; F124-F220 HydrophobicContact CZ-CE1 3.49Å; F124-F220 VanDerWaalsContact CZ-CE1 3.49Å; F124-F220 HydrophobicContact CZ-CE2 4.48Å; F124-F220 AromaticContact CZ-CZ 3.68Å; F124-F220 HydrophobicContact CZ-CZ 3.68Å; A143-F220 HydrophobicContact CB-CE1 4.19Å; A143-F220 HydrophobicContact CB-CZ 3.87Å; Y145-F220 AromaticContact CD1-CD2 3.85Å; Y145-F220 HydrophobicContact CD1-CD2 3.85Å; Y145-F220 HydrophobicContact CD1-CE2 4.23Å; Y145-F220 HydrophobicContact CD2-CB 3.93Å; Y145-F220 AromaticContact CD2-CD2 3.66Å; Y145-F220 HydrophobicContact CD2-CD2 3.66Å; Y145-F220 HydrophobicContact CD2-CG 4.28Å; Y145-F220 HydrophobicContact CE1-CD2 4.36Å; Y145-F220 HydrophobicContact CE2-CB 4.12Å; Y145-F220 HydrophobicContact CE2-CD2 4.15Å; Y145-F220 AromaticContact CG-CD2 3.51Å; Y145-F220 HydrophobicContact CG-CD2 3.51Å; Y145-F220 HydrophobicContact CG-CE2 4.13Å; Y145-F220 HydrophobicContact CG-CG 4.5Å; I191-F220 HydrophobicContact CD1-CE1 4.15Å; I191-F220 HydrophobicContact CD1-CZ 4.4Å; I191-F220 HydrophobicContact CG1-CE1 4.18Å; I191-F220 HydrophobicContact CG1-CZ 3.95Å; M195-F220 HydrophobicContact CB-CE2 3.84Å; M195-F220 HydrophobicContact CB-CZ 4.3Å; M195-F220 HydrophobicContact CG-CD2 4.45Å; M195-F220 HydrophobicContact CG-CE2 4.21Å; F220-I222 HydrophobicContact CD1-CD1 4.35Å; F220-I222 HydrophobicContact CD1-CG1 3.83Å; F220-I222 HydrophobicContact CE1-CD1 4.13Å; F220-I222 HydrophobicContact CE1-CG1 3.7Å; F220-L244 HydrophobicContact CB-CB 4.36Å; F220-L244 PolarHBondContact N-O 3.19Å; F220-L244 PolarHBondContact O-N 2.7Å |
| 221 | I | 96.6 | Very high | 82.8 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.6 | -174.7 | -54.1 | 178.9 | 0 | 0 | 0 | 108.4 | A143 S144 L146 L180 I219 K241 L242 | A143-I221 CarbonylContact C-O 3.5Å; A143-I221 WeakPolarHBondContact CA-O 3.45Å; S144-I221 PolarHBondContact N-O 3.14Å; S144-I221 PolarHBondContact O-N 2.9Å; L146-I221 HydrophobicContact CD2-CD1 3.91Å; L180-I221 HydrophobicContact CD2-CD1 4.41Å; I219-I221 HydrophobicContact CG2-CD1 4.2Å; I219-I221 HydrophobicContact CG2-CG1 3.74Å; I221-K241 HydrophobicContact CG2-CD 4.32Å; I221-K241 VanDerWaalsContact CG2-CE 3.49Å; I221-K241 HydrophobicContact CG2-CG 3.91Å; I221-L242 CarbonylContact C-O 3.58Å; I221-L242 WeakPolarHBondContact CA-O 3.32Å |
| 222 | I | 97.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120.4 | 171.1 | -45.9 | -179.9 | 0 | 0 | 0 | 108 | F124 I127 V141 R142 I191 F220 V224 L242 L244 | F124-I222 HydrophobicContact CD1-CD1 3.72Å; F124-I222 HydrophobicContact CE1-CD1 3.56Å; F124-I222 HydrophobicContact CE1-CG1 4.44Å; I127-I222 HydrophobicContact CD1-CD1 3.91Å; I127-I222 HydrophobicContact CD1-CG2 4.22Å; V141-I222 HydrophobicContact CG1-CG2 3.68Å; R142-I222 CarbonylContact O-C 3.58Å; R142-I222 WeakPolarHBondContact O-CA 3.5Å; I191-I222 HydrophobicContact CD1-CD1 4.07Å; I191-I222 HydrophobicContact CD1-CG1 4.29Å; I191-I222 HydrophobicContact CD1-CG2 4.36Å; F220-I222 HydrophobicContact CD1-CD1 4.35Å; F220-I222 HydrophobicContact CD1-CG1 3.83Å; F220-I222 HydrophobicContact CE1-CD1 4.13Å; F220-I222 HydrophobicContact CE1-CG1 3.7Å; I222-V224 HydrophobicContact CG2-CG2 4.12Å; I222-L242 HydrophobicContact CB-CB 4.28Å; I222-L242 HydrophobicContact CD1-CD2 4.09Å; I222-L242 PolarHBondContact N-O 2.84Å; I222-L242 PolarHBondContact O-N 2.72Å; I222-L244 HydrophobicContact CD1-CD1 4.24Å |
| 223 | T | 94.7 | Very high | 84.4 | Confident | 22 Ų | 22 | 37 Ų | 37 | 14% | 0.135 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 121 | 172.4 | -56 | 0 | 0 | 0 | 0 | 108.1 | V141 R142 E225 V239 G240 | V141-T223 WeakPolarHBondContact CA-O 3.29Å; R142-T223 PolarHBondContact N-O 2.93Å; R142-T223 PolarHBondContact O-N 3.11Å; T223-E225 HydrophobicContact CG2-CG 4.41Å; T223-V239 HydrophobicContact CG2-CG1 3.85Å; T223-G240 WeakPolarHBondContact CA-O 3.29Å |
| 224 | V | 94.8 | Very high | 85 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113 | 177 | -175.9 | 0 | 0 | 0 | 0 | 108 | L86 I127 Y139 V141 I222 G240 | L86-V224 HydrophobicContact CD2-CG1 4.29Å; I127-V224 HydrophobicContact CG2-CG2 4.28Å; Y139-V224 HydrophobicContact CD1-CG1 3.89Å; Y139-V224 HydrophobicContact CE1-CG1 4.43Å; V141-V224 HydrophobicContact CG2-CG1 4.47Å; V141-V224 HydrophobicContact CG2-CG2 4.42Å; I222-V224 HydrophobicContact CG2-CG2 4.12Å; V224-G240 PolarHBondContact N-O 3.5Å; V224-G240 PolarHBondContact O-N 3.19Å |
| 225 | E | 90.6 | Very high | 85.3 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.4 | 170.1 | -61.6 | -179.9 | 172.3 | 0 | 0 | 108.5 | Y139 L140 R142 T223 R238 V239 | Y139-E225 CarbonylContact C-O 3.54Å; Y139-E225 VanDerWaalsContact CA-O 3.27Å; Y139-E225 WeakPolarHBondContact CA-O 3.37Å; L140-E225 HydrophobicContact CB-CB 4.28Å; L140-E225 PolarHBondContact N-O 3.43Å; L140-E225 PolarHBondContact O-N 3.29Å; R142-E225 IonicContact CZ-OE1 3.03Å; R142-E225 VanDerWaalsContact CZ-OE1 3.23Å; R142-E225 IonicContact CZ-OE2 3.53Å; R142-E225 IonicContact NH1-OE1 3.48Å; R142-E225 PolarHBondContact NH1-OE1 3.28Å; R142-E225 IonicContact NH1-OE2 3.92Å; R142-E225 PolarHBondContact NH1-OE2 2.85Å; R142-E225 IonicContact NH2-OE1 3.44Å; R142-E225 PolarHBondContact NH2-OE1 3.06Å; R142-E225 IonicContact NH2-OE2 2.72Å; T223-E225 HydrophobicContact CG2-CG 4.41Å; E225-R238 WeakPolarHBondContact CA-O 3.44Å; E225-V239 HydrophobicContact CG-CB 4.5Å; E225-V239 HydrophobicContact CG-CG1 4.02Å; E225-V239 HydrophobicContact CG-CG2 4Å |
| 226 | C | 90.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.9 | 178 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | Q138 Y139 I237 R238 | Q138-C226 CarbonylContact O-C 3.54Å; Q138-C226 WeakPolarHBondContact O-CA 3.45Å; Y139-C226 HydrophobicContact CD1-CB 3.95Å; Y139-C226 HydrophobicContact CE1-CB 3.77Å; C226-I237 WeakPolarHBondContact O-CA 3.37Å; C226-R238 PolarHBondContact N-O 2.64Å; C226-R238 PolarHBondContact O-N 2.84Å |
| 227 | S | 86.4 | Confident | 85.7 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.1 | 168.1 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | Q137 Q138 H236 | Q137-S227 WeakPolarHBondContact CA-O 3.2Å; Q138-S227 PolarHBondContact N-O 3.41Å; Q138-S227 PolarHBondContact O-N 3.04Å; S227-H236 WeakPolarHBondContact CA-O 3.26Å |
| 228 | E | 86.2 | Confident | 85.6 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.1 | 177.9 | 179.2 | 172.3 | -147.9 | 0 | 0 | 109.5 | Q137 G230 H236 R238 | Q137-E228 HydrophobicContact CG-CB 4.05Å; Q137-E228 HydrophobicContact CG-CG 3.94Å; Q137-E228 VanDerWaalsContact NE2-CD 3.26Å; Q137-E228 PolarHBondContact NE2-OE1 2.94Å; E228-G230 PolarHBondContact O-N 3.12Å; E228-H236 PolarHBondContact N-O 2.94Å; E228-H236 PolarHBondContact O-N 3.17Å; E228-R238 IonicContact OE2-CZ 3.47Å; E228-R238 IonicContact OE2-NH1 2.89Å; E228-R238 PolarHBondContact OE2-NH1 3.16Å; E228-R238 IonicContact OE2-NH2 3.59Å; E228-R238 PolarHBondContact OE2-NH2 3.47Å |
| 229 | R | 80.3 | Confident | 85.5 | Confident | 179 Ų | 179 | 50.5 Ų | 50.5 | 68% | 0.675 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 114.8 | 176.8 | -164.3 | 169.8 | -174.9 | -172.2 | -1 | 109.9 | G233 Q234 | R229-G233 PolarHBondContact NE-O 3.48Å; R229-Q234 CarbonylContact C-O 3.59Å |
| 230 | G | 75.3 | Confident | 85.4 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -67 | 165.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | E228 D232 G233 Q234 | E228-G230 PolarHBondContact O-N 3.12Å; G230-D232 PolarHBondContact O-N 3.48Å; G230-G233 PolarHBondContact O-N 2.96Å; G230-Q234 PolarHBondContact N-O 2.93Å | ||
| 231 | S | 71.9 | Confident | 85.3 | Confident | 142 Ų | 142 | 53.5 Ų | 53.5 | 99% | 0.993 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.3 | 173.8 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | G233 | S231-G233 VanDerWaalsContact C-N 3.27Š|
| 232 | D | 70.7 | Confident | 85.4 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.5 | 173.5 | 64 | -8.7 | 0 | 0 | 0 | 113 | G230 Q234 H236 | G230-D232 PolarHBondContact O-N 3.48Å; D232-Q234 VanDerWaalsContact C-N 3.29Å; D232-Q234 PolarHBondContact OD1-N 3.03Å; D232-H236 IonicContact OD1-NE2 3.49Å; D232-H236 IonicContact OD2-CE1 3.22Å; D232-H236 IonicContact OD2-NE2 2.71Å |
| 233 | G | 70.6 | Confident | 85.4 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 81.3 | 1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R229 G230 S231 | R229-G233 PolarHBondContact NE-O 3.48Å; G230-G233 PolarHBondContact O-N 2.96Å; S231-G233 VanDerWaalsContact C-N 3.27Å |
| 234 | Q | 74.4 | Confident | 85.5 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -91.6 | 155.8 | 175.5 | -60.3 | -170 | 36 | 0 | 0 | 111.3 | R229 G230 D232 | R229-Q234 CarbonylContact C-O 3.59Å; G230-Q234 PolarHBondContact N-O 2.93Å; D232-Q234 VanDerWaalsContact C-N 3.29Å; D232-Q234 PolarHBondContact OD1-N 3.03Å |
| 235 | D | 74.8 | Confident | 85.7 | Confident | 105 Ų | 105 | 52.6 Ų | 52.6 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 115.8 | 178.2 | -70 | -21.7 | 0 | 0 | 0 | 109.9 | ||
| 236 | H | 82.6 | Confident | 85.9 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.4 | 175.6 | -65.8 | -56.4 | 0 | 0 | 0 | 110.5 | S227 E228 D232 D377 | S227-H236 WeakPolarHBondContact CA-O 3.26Å; E228-H236 PolarHBondContact N-O 2.94Å; E228-H236 PolarHBondContact O-N 3.17Å; D232-H236 IonicContact OD1-NE2 3.49Å; D232-H236 IonicContact OD2-CE1 3.22Å; D232-H236 IonicContact OD2-NE2 2.71Å; H236-D377 IonicContact CE1-OD1 3.7Å; H236-D377 IonicContact CE1-OD2 2.8Å; H236-D377 IonicContact CG-OD2 2.67Å; H236-D377 IonicContact ND1-OD1 3.73Å; H236-D377 IonicContact ND1-OD2 3.69Å; H236-D377 PolarHBondContact ND1-OD2 3.13Å |
| 237 | I | 84.9 | Confident | 86 | Confident | 82 Ų | 82 | 50.2 Ų | 50.2 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.2 | -179.6 | -56.8 | 174.9 | 0 | 0 | 0 | 109.8 | C226 V239 D374 | C226-I237 WeakPolarHBondContact O-CA 3.37Å; I237-V239 HydrophobicContact CG2-CG2 4.3Å; I237-D374 PolarHBondContact O-N 2.65Å |
| 238 | R | 90.2 | Very high | 86.1 | Confident | 37 Ų | 37 | 49 Ų | 49 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.6 | 173 | -65.4 | -175 | -61.5 | -94.6 | -0.3 | 110.3 | Q87 E225 C226 E228 V371 N372 E373 | Q87-R238 WeakPolarHBondContact O-CD 3.41Å; E225-R238 WeakPolarHBondContact CA-O 3.44Å; C226-R238 PolarHBondContact N-O 2.64Å; C226-R238 PolarHBondContact O-N 2.84Å; E228-R238 IonicContact OE2-CZ 3.47Å; E228-R238 IonicContact OE2-NH1 2.89Å; E228-R238 PolarHBondContact OE2-NH1 3.16Å; E228-R238 IonicContact OE2-NH2 3.59Å; E228-R238 PolarHBondContact OE2-NH2 3.47Å; R238-V371 HydrophobicContact CG-CG1 4.31Å; R238-N372 WeakPolarHBondContact CA-O 3.33Å; R238-E373 HydrophobicContact CG-CG 3.72Å |
| 239 | V | 90.6 | Very high | 86.1 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 110.7 | -178.7 | -173 | 0 | 0 | 0 | 0 | 110.7 | G88 T223 E225 I237 N372 | G88-V239 VanDerWaalsContact O-O 3.13Å; T223-V239 HydrophobicContact CG2-CG1 3.85Å; E225-V239 HydrophobicContact CG-CB 4.5Å; E225-V239 HydrophobicContact CG-CG1 4.02Å; E225-V239 HydrophobicContact CG-CG2 4Å; I237-V239 HydrophobicContact CG2-CG2 4.3Å; V239-N372 PolarHBondContact N-O 2.67Å; V239-N372 WeakPolarHBondContact O-CB 3.32Å; V239-N372 PolarHBondContact O-ND2 3.03Å |
| 240 | G | 94 | Very high | 86.3 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V85 F89 T223 V224 | V85-G240 WeakPolarHBondContact O-CA 3.45Å; F89-G240 WeakPolarHBondContact O-CA 3.47Å; T223-G240 WeakPolarHBondContact CA-O 3.29Å; V224-G240 PolarHBondContact N-O 3.5Å; V224-G240 PolarHBondContact O-N 3.19Å |
| 241 | K | 94.9 | Very high | 86.4 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.1 | 173.3 | -172 | -179.3 | 178.8 | -176.5 | 0 | 110.2 | N90 G91 I221 N243 | N90-K241 CarbonylContact C-O 3.59Å; N90-K241 WeakPolarHBondContact CA-O 3.43Å; N90-K241 WeakPolarHBondContact OD1-CB 3.45Å; G91-K241 PolarHBondContact N-O 3.44Å; I221-K241 HydrophobicContact CG2-CD 4.32Å; I221-K241 VanDerWaalsContact CG2-CE 3.49Å; I221-K241 HydrophobicContact CG2-CG 3.91Å; K241-N243 WeakPolarHBondContact CE-OD1 3.18Å |
| 242 | L | 97.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.7 | 175.1 | 178.5 | 64.8 | 0 | 0 | 0 | 110.4 | L81 I82 V85 G91 A123 I127 I221 I222 L244 | L81-L242 HydrophobicContact CD2-CD1 4.44Å; I82-L242 HydrophobicContact CD1-CD1 3.88Å; I82-L242 HydrophobicContact CD1-CD2 3.46Å; I82-L242 VanDerWaalsContact CD1-CD2 3.46Å; I82-L242 HydrophobicContact CD1-CG 4.34Å; V85-L242 HydrophobicContact CG1-CB 4.02Å; V85-L242 HydrophobicContact CG2-CB 4.15Å; V85-L242 HydrophobicContact CG2-CD1 4.14Å; G91-L242 CarbonylContact O-C 3.58Å; G91-L242 VanDerWaalsContact O-CA 3.26Å; G91-L242 WeakPolarHBondContact O-CA 3.35Å; A123-L242 HydrophobicContact CB-CD2 4.4Å; I127-L242 HydrophobicContact CD1-CD2 4.29Å; I221-L242 CarbonylContact C-O 3.58Å; I221-L242 WeakPolarHBondContact CA-O 3.32Å; I222-L242 HydrophobicContact CB-CB 4.28Å; I222-L242 HydrophobicContact CD1-CD2 4.09Å; I222-L242 PolarHBondContact N-O 2.84Å; I222-L242 PolarHBondContact O-N 2.72Å; L242-L244 HydrophobicContact CD1-CD2 3.98Å; L242-L244 HydrophobicContact CD1-CG 4.47Å; L242-L244 HydrophobicContact CD2-CD1 4.02Å; L242-L244 HydrophobicContact CD2-CD2 4.08Å; L242-L244 HydrophobicContact CD2-CG 4.08Å; L242-L244 HydrophobicContact CG-CD1 4.41Å; L242-L244 HydrophobicContact CG-CD2 3.99Å; L242-L244 HydrophobicContact CG-CG 3.96Å |
| 243 | N | 97.5 | Very high | 84.9 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 8% | 0.08 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.6 | 171.1 | -51.4 | -64.3 | 0 | 0 | 0 | 109.8 | G91 T92 V93 I219 K241 V245 | G91-N243 PolarHBondContact O-N 3Å; T92-N243 CarbonylContact C-O 3.53Å; T92-N243 VanDerWaalsContact CA-O 3.32Å; T92-N243 WeakPolarHBondContact CA-O 3.42Å; T92-N243 HydrophobicContact CG2-CB 4.16Å; T92-N243 PolarHBondContact OG1-ND2 3.05Å; T92-N243 VanDerWaalsContact OG1-ND2 3.14Å; V93-N243 PolarHBondContact N-O 3.27Å; I219-N243 HydrophobicContact CG2-CB 4.49Å; K241-N243 WeakPolarHBondContact CE-OD1 3.18Å; N243-V245 HydrophobicContact CB-CG2 4.29Å |
| 244 | L | 97.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 107.7 | 176.1 | -60.6 | 172.7 | 0 | 0 | 0 | 108 | V93 M107 V119 I120 A123 F220 I222 L242 | V93-L244 HydrophobicContact CB-CD2 4Å; V93-L244 HydrophobicContact CG2-CD2 4.11Å; M107-L244 HydrophobicContact CE-CB 3.79Å; M107-L244 HydrophobicContact CE-CD2 4.29Å; V119-L244 HydrophobicContact CG1-CD2 4Å; I120-L244 HydrophobicContact CB-CD1 4.17Å; I120-L244 HydrophobicContact CD1-CB 4.38Å; I120-L244 HydrophobicContact CG1-CB 3.89Å; I120-L244 HydrophobicContact CG1-CD1 3.67Å; I120-L244 HydrophobicContact CG1-CG 4.3Å; I120-L244 HydrophobicContact CG2-CD1 4.16Å; A123-L244 HydrophobicContact CB-CD1 4.37Å; F220-L244 HydrophobicContact CB-CB 4.36Å; F220-L244 PolarHBondContact N-O 3.19Å; F220-L244 PolarHBondContact O-N 2.7Å; I222-L244 HydrophobicContact CD1-CD1 4.24Å; L242-L244 HydrophobicContact CD1-CD2 3.98Å; L242-L244 HydrophobicContact CD1-CG 4.47Å; L242-L244 HydrophobicContact CD2-CD1 4.02Å; L242-L244 HydrophobicContact CD2-CD2 4.08Å; L242-L244 HydrophobicContact CD2-CG 4.08Å; L242-L244 HydrophobicContact CG-CD1 4.41Å; L242-L244 HydrophobicContact CG-CD2 3.99Å; L242-L244 HydrophobicContact CG-CG 3.96Å |
| 245 | V | 97.1 | Very high | 82 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.8 | -166 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | T92 V93 F94 A95 A218 I219 N243 L247 L326 | T92-V245 HydrophobicContact CG2-CG2 4.26Å; V93-V245 PolarHBondContact O-N 3.28Å; F94-V245 WeakPolarHBondContact CA-O 3.43Å; F94-V245 HydrophobicContact CB-CB 3.61Å; F94-V245 HydrophobicContact CB-CG1 4.03Å; F94-V245 HydrophobicContact CB-CG2 4.27Å; A95-V245 PolarHBondContact N-O 2.98Å; A218-V245 WeakPolarHBondContact O-CA 3.45Å; I219-V245 HydrophobicContact CG1-CG1 4.06Å; I219-V245 HydrophobicContact CG1-CG2 4.17Å; I219-V245 HydrophobicContact CG2-CG2 4.13Å; N243-V245 HydrophobicContact CB-CG2 4.29Å; V245-L247 HydrophobicContact CG1-CD2 3.45Å; V245-L247 VanDerWaalsContact CG1-CD2 3.45Å; V245-L247 HydrophobicContact CG1-CG 3.92Å; V245-L326 HydrophobicContact CG2-CD2 4.09Å |
| 246 | D | 95 | Very high | 80.1 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 102.8 | 169.6 | -172.1 | 20.3 | 0 | 0 | 0 | 108.4 | K103 T104 M107 A218 | K103-D246 WeakPolarHBondContact CB-OD1 3.5Å; T104-D246 WeakPolarHBondContact CA-OD2 3.42Å; T104-D246 WeakPolarHBondContact CB-OD2 3.49Å; T104-D246 PolarHBondContact N-OD1 3.46Å; T104-D246 PolarHBondContact OG1-OD2 3.2Å; M107-D246 HydrophobicContact CB-CB 4.43Å; M107-D246 HydrophobicContact CG-CB 4.25Å; A218-D246 HydrophobicContact CB-CB 4.49Å; A218-D246 PolarHBondContact N-O 3.45Å; A218-D246 PolarHBondContact O-N 2.97Å |
| 247 | L | 92.7 | Very high | 77.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -78.5 | 157.7 | -176.8 | -61.5 | 176.6 | 0 | 0 | 0 | 111.7 | F94 A95 Y96 K103 H217 V245 L297 L300 L322 | F94-L247 HydrophobicContact CD2-CD1 3.82Å; F94-L247 HydrophobicContact CE2-CD1 4.49Å; A95-L247 WeakPolarHBondContact O-CB 3.17Å; A95-L247 WeakPolarHBondContact O-CG 3.26Å; A95-L247 PolarHBondContact O-N 3.45Å; Y96-L247 HydrophobicContact CD2-CD1 3.83Å; K103-L247 WeakPolarHBondContact CD-O 3.48Å; K103-L247 WeakPolarHBondContact CE-O 3.5Å; H217-L247 HydrophobicContact CB-CD2 4.29Å; H217-L247 WeakPolarHBondContact ND1-CA 3.44Å; H217-L247 WeakPolarHBondContact ND1-CD2 3.45Å; V245-L247 HydrophobicContact CG1-CD2 3.45Å; V245-L247 VanDerWaalsContact CG1-CD2 3.45Å; V245-L247 HydrophobicContact CG1-CG 3.92Å; L247-L297 HydrophobicContact CB-CD2 4.5Å; L247-L297 HydrophobicContact CD1-CD2 4.42Å; L247-L300 HydrophobicContact CD1-CD2 4Å; L247-L322 HydrophobicContact CD2-CD1 3.91Å; L247-L322 HydrophobicContact CD2-CD2 3.89Å |
| 248 | A | 89.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 166.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K103 S214 H217 I293 L297 | K103-A248 WeakPolarHBondContact CE-O 3.24Å; S214-A248 WeakPolarHBondContact O-CB 3.31Å; H217-A248 VanDerWaalsContact CE1-CB 3.41Å; H217-A248 WeakPolarHBondContact CE1-CB 3.15Å; H217-A248 PolarHBondContact CE1-N 3.06Å; H217-A248 PolarHBondContact ND1-N 2.93Å; A248-I293 HydrophobicContact CB-CG2 3.96Å; A248-L297 HydrophobicContact CB-CD1 4.39Å |
| 249 | G | 85.6 | Confident | 72.3 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 136.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T99 S214 E251 L297 | T99-G249 WeakPolarHBondContact OG1-CA 3.42Å; S214-G249 PolarHBondContact O-N 3.26Å; G249-E251 VanDerWaalsContact C-N 3.27Å; G249-E251 VanDerWaalsContact C-OE2 3.23Å; G249-E251 WeakPolarHBondContact CA-OE2 3.12Å; G249-E251 PolarHBondContact O-N 2.82Å; G249-L297 WeakPolarHBondContact O-CD1 3.46Å |
| 250 | S | 83.7 | Confident | 69.4 | Low | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | trans | -79.9 | -3.1 | 177.8 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | G97 Q98 | G97-S250 PolarHBondContact O-N 3.35Å; G97-S250 VanDerWaalsContact O-N 3.1Å; G97-S250 PolarHBondContact O-OG 3.4Å; Q98-S250 PolarHBondContact N-OG 2.69Å; Q98-S250 VanDerWaalsContact N-OG 3.13Å | ||
| 251 | E | 77.2 | Confident | 66.4 | Low | 51 Ų | 51 | 62.9 Ų | 62.9 | 24% | 0.238 | 36% | 0.364 | C | S | . | . | trans | -69.9 | 143.9 | -173.6 | 62.9 | -79.7 | -174.3 | 0 | 0 | 114.4 | Q98 T99 G249 | Q98-E251 WeakPolarHBondContact CA-OE2 3.47Å; Q98-E251 HydrophobicContact CG-CB 4.22Å; T99-E251 WeakPolarHBondContact CB-OE1 3.43Å; T99-E251 PolarHBondContact N-OE2 2.83Å; T99-E251 VanDerWaalsContact OG1-CD 3.29Å; T99-E251 PolarHBondContact OG1-OE1 3.24Å; T99-E251 PolarHBondContact OG1-OE2 3.12Å; G249-E251 VanDerWaalsContact C-N 3.27Å; G249-E251 VanDerWaalsContact C-OE2 3.23Å; G249-E251 WeakPolarHBondContact CA-OE2 3.12Å; G249-E251 PolarHBondContact O-N 2.82Å | ||
| 252 | R | 60.3 | Low | 63.3 | Low | 146 Ų | 146 | 63.9 Ų | 63.9 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | trans | -83.1 | 132.2 | 173.9 | -63.2 | 177.9 | 176.1 | -120 | 1.3 | 110.2 | N254 K255 D615 | R252-N254 PolarHBondContact O-N 3.15Å; R252-K255 PolarHBondContact O-N 2.89Å; R252-D615 IonicContact CZ-OD2 3.23Å; R252-D615 IonicContact NH1-OD2 2.78Å; R252-D615 PolarHBondContact NH1-OD2 3.49Å | ||
| 253 | Q | 52 | Low | 59.9 | Low | 75 Ų | 75 | 67.5 Ų | 67.5 | 35% | 0.35 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -62.1 | -12.1 | -175.7 | -84.9 | 112.8 | 10.6 | 0 | 0 | 115.5 | K255 A256 A290 N294 | Q253-K255 PolarHBondContact O-N 3.49Å; Q253-A256 PolarHBondContact O-N 2.82Å; Q253-A290 HydrophobicContact CG-CB 3.89Å; Q253-A290 PolarHBondContact NE2-O 2.84Å; Q253-A290 VanDerWaalsContact OE1-C 3.29Å; Q253-A290 PolarHBondContact OE1-O 2.71Å; Q253-A290 VanDerWaalsContact OE1-O 3.11Å; Q253-N294 PolarHBondContact OE1-ND2 2.89Å |
| 254 | N | 44 | Very low | 56.9 | Low | 160 Ų | 160 | 72.1 Ų | 72.1 | 86% | 0.856 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -63.1 | -10.1 | 177.8 | -75.5 | 1.7 | 0 | 0 | 0 | 114.3 | R252 | R252-N254 PolarHBondContact O-N 3.15Š|
| 255 | K | 40.1 | Very low | 53.6 | Low | 117 Ų | 117 | 76.6 Ų | 76.6 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -93.1 | -5.8 | 172.9 | -81.3 | -177.1 | 176.8 | 175.1 | 0 | 114.9 | R252 Q253 G257 D350 | R252-K255 PolarHBondContact O-N 2.89Å; Q253-K255 PolarHBondContact O-N 3.49Å; K255-G257 PolarHBondContact O-N 2.86Å; K255-D350 IonicContact NZ-OD2 3.82Å; K255-D350 PolarHBondContact NZ-OD2 3.48Å |
| 256 | A | 34.7 | Very low | 50.2 | Low | 86 Ų | 86 | 82.9 Ų | 82.9 | 71% | 0.711 | 55% | 0.547 | S | S | * | . | trans | -96.6 | 57.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q253 | Q253-A256 PolarHBondContact O-N 2.82Š| ||
| 257 | G | 27.6 | Very low | 47.4 | Very low | 49 Ų | 49 | 89 Ų | 89 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | trans | -77.2 | 147.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K255 N259 | K255-G257 PolarHBondContact O-N 2.86Å; G257-N259 PolarHBondContact O-N 2.79Å | ||
| 258 | P | 34.4 | Very low | 44.4 | Very low | 132 Ų | 132 | 94.4 Ų | 94.4 | 86% | 0.857 | 63% | 0.625 | S | S | * | * | trans | -74.3 | 88.8 | 179.5 | 31.5 | -32.2 | 0 | 0 | 0 | 109.7 | ||||
| 259 | N | 31.8 | Very low | 41.6 | Very low | 149 Ų | 149 | 100.2 Ų | 100.2 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | trans | -123.2 | 99.5 | 172.5 | -79 | -8.3 | 0 | 0 | 0 | 110.3 | G257 | G257-N259 PolarHBondContact O-N 2.79Š| ||
| 260 | T | 29.8 | Very low | 38.9 | Very low | 151 Ų | 151 | 104 Ų | 104 | 93% | 0.926 | 71% | 0.705 | S | S | * | * | trans | -160 | 82.3 | 141.4 | 28.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 261 | A | 30.1 | Very low | 36.2 | Very low | 100 Ų | 100 | 107.4 Ų | 107.4 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | trans | -172.3 | 123.2 | 138.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 262 | G | 30.2 | Very low | 33.9 | Very low | 89 Ų | 89 | 111.3 Ų | 111.3 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | trans | -69.5 | 159.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 263 | G | 26 | Very low | 32.4 | Very low | 76 Ų | 76 | 108.2 Ų | 108.2 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 160 | 104.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 264 | A | 34.4 | Very low | 31.2 | Very low | 111 Ų | 111 | 108.9 Ų | 108.9 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -55.4 | 134.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 265 | A | 28.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 105.1 Ų | 105.1 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -153.7 | 116.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 266 | T | 26.8 | Very low | 29.9 | Very low | 132 Ų | 132 | 103.9 Ų | 103.9 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | trans | -46.7 | 155.1 | 165.1 | 13.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 267 | P | 36.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 103.6 Ų | 103.6 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | trans | -82.9 | 126 | 175.7 | 33.3 | -28 | 0 | 0 | 0 | 109.9 | ||||
| 268 | S | 28.3 | Very low | 29.7 | Very low | 116 Ų | 116 | 107.7 Ų | 107.7 | 81% | 0.811 | 86% | 0.861 | S | S | * | * | trans | -133.4 | 131.8 | 164.7 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 269 | S | 32.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 104.9 Ų | 104.9 | 85% | 0.846 | 86% | 0.856 | S | S | * | * | trans | -58.3 | 148.4 | 177.1 | 50.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 270 | G | 28.1 | Very low | 29.5 | Very low | 83 Ų | 83 | 101.4 Ų | 101.4 | 86% | 0.856 | 86% | 0.855 | S | S | * | * | trans | 104.5 | 133.4 | 140.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 271 | G | 27.8 | Very low | 29.6 | Very low | 82 Ų | 82 | 100.5 Ų | 100.5 | 85% | 0.845 | 86% | 0.855 | S | S | * | * | trans | 136.9 | 102.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 272 | S | 28.4 | Very low | 29.9 | Very low | 134 Ų | 134 | 99.6 Ų | 99.6 | 94% | 0.937 | 86% | 0.856 | S | S | * | * | trans | -68.1 | 153.5 | 173.1 | -49.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 273 | G | 28.7 | Very low | 30 | Very low | 81 Ų | 81 | 98.4 Ų | 98.4 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | 154.5 | 114.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 274 | G | 27.3 | Very low | 30.6 | Very low | 89 Ų | 89 | 97.1 Ų | 97.1 | 92% | 0.918 | 83% | 0.83 | S | S | * | * | trans | -88.9 | 178.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 275 | G | 27.3 | Very low | 31.1 | Very low | 81 Ų | 81 | 99.6 Ų | 99.6 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 145.2 | 108.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 276 | G | 28.1 | Very low | 31.8 | Very low | 90 Ų | 90 | 101 Ų | 101 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 156.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 277 | G | 27 | Very low | 32.6 | Very low | 80 Ų | 80 | 98.7 Ų | 98.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -160.3 | 119.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 278 | S | 32.5 | Very low | 33.3 | Very low | 136 Ų | 136 | 99.3 Ų | 99.3 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 139.4 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 279 | G | 28.4 | Very low | 34.3 | Very low | 73 Ų | 73 | 94.3 Ų | 94.3 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -176.5 | 114 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 280 | G | 32.3 | Very low | 35.2 | Very low | 76 Ų | 76 | 89.2 Ų | 89.2 | 78% | 0.784 | 71% | 0.712 | S | S | * | * | trans | -83.6 | -178.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 281 | S | 32.4 | Very low | 36.4 | Very low | 132 Ų | 132 | 89.1 Ų | 89.1 | 92% | 0.923 | 70% | 0.699 | S | S | * | * | trans | 98 | 111 | 159.6 | -64.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 282 | G | 35.5 | Very low | 37.9 | Very low | 81 Ų | 81 | 89.5 Ų | 89.5 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | 106.5 | 6.8 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 283 | G | 33.2 | Very low | 39.5 | Very low | 63 Ų | 63 | 83.4 Ų | 83.4 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | trans | -98.1 | -12.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 284 | G | 39.5 | Very low | 41.3 | Very low | 50 Ų | 50 | 81.1 Ų | 81.1 | 52% | 0.515 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -90.5 | -15 | -159.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 285 | E | 45 | Very low | 43.8 | Very low | 162 Ų | 162 | 81 Ų | 81 | 76% | 0.757 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -89.6 | -30.8 | -172.3 | -67.3 | -175 | 154.5 | 0 | 0 | 113.5 | K288 E289 | E285-K288 PolarHBondContact O-N 2.81Å; E285-E289 WeakPolarHBondContact O-CB 3.32Å; E285-E289 PolarHBondContact O-N 3.01Å |
| 286 | R | 43.2 | Very low | 46.5 | Very low | 127 Ų | 127 | 77.3 Ų | 77.3 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | -178.5 | -69.7 | 177.3 | 177.1 | -177.6 | -5.9 | 114.7 | K288 E289 A290 | R286-K288 VanDerWaalsContact C-N 3.34Å; R286-K288 PolarHBondContact O-N 2.85Å; R286-E289 PolarHBondContact O-N 3.46Å; R286-A290 WeakPolarHBondContact O-CB 3.33Å; R286-A290 PolarHBondContact O-N 2.85Å |
| 287 | P | 42.9 | Very low | 49.3 | Very low | 83 Ų | 83 | 73.5 Ų | 73.5 | 54% | 0.539 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.8 | -30.5 | 179.8 | 23.5 | -31.5 | 0 | 0 | 0 | 113.1 | S291 | P287-S291 PolarHBondContact O-N 3.46Å; P287-S291 VanDerWaalsContact O-N 3.12Å |
| 288 | K | 51.6 | Low | 52.1 | Low | 146 Ų | 146 | 72.8 Ų | 72.8 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -73.5 | -37.9 | 176.8 | -68 | -177.6 | 178.2 | -179.6 | 0 | 112.6 | E285 R286 K292 | E285-K288 PolarHBondContact O-N 2.81Å; R286-K288 VanDerWaalsContact C-N 3.34Å; R286-K288 PolarHBondContact O-N 2.85Å; K288-K292 WeakPolarHBondContact O-CG 3.49Å; K288-K292 PolarHBondContact O-N 2.89Å |
| 289 | E | 49.1 | Very low | 54.8 | Low | 10 Ų | 10 | 66.5 Ų | 66.5 | 5% | 0.047 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 172.9 | -179.8 | -171.3 | 151.8 | 0 | 0 | 110.7 | Y149 Q150 R215 E285 R286 S291 K292 I293 | Y149-E289 HydrophobicContact CE2-CG 4.21Å; Y149-E289 WeakPolarHBondContact OH-CG 3.43Å; Y149-E289 PolarHBondContact OH-OE1 3.46Å; Y149-E289 VanDerWaalsContact OH-OE1 3.08Å; Y149-E289 PolarHBondContact OH-OE2 3.19Å; Q150-E289 HydrophobicContact CG-CG 4.32Å; R215-E289 WeakPolarHBondContact CD-OE1 3.38Å; R215-E289 IonicContact CZ-OE1 3.63Å; R215-E289 IonicContact NE-OE1 3.91Å; R215-E289 IonicContact NH1-OE1 2.61Å; R215-E289 PolarHBondContact NH1-OE1 2.9Å; R215-E289 IonicContact NH1-OE2 4Å; E285-E289 WeakPolarHBondContact O-CB 3.32Å; E285-E289 PolarHBondContact O-N 3.01Å; R286-E289 PolarHBondContact O-N 3.46Å; E289-S291 PolarHBondContact O-N 2.8Å; E289-K292 PolarHBondContact O-N 2.93Å; E289-K292 VanDerWaalsContact O-N 3.15Å; E289-I293 HydrophobicContact CG-CD1 4.03Å; E289-I293 WeakPolarHBondContact O-CD1 3.48Å; E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.14Å; E289-I293 VanDerWaalsContact O-N 3.11Å |
| 290 | A | 50.6 | Low | 57.9 | Low | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.4 | -49.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q253 R286 K292 I293 N294 | Q253-A290 HydrophobicContact CG-CB 3.89Å; Q253-A290 PolarHBondContact NE2-O 2.84Å; Q253-A290 VanDerWaalsContact OE1-C 3.29Å; Q253-A290 PolarHBondContact OE1-O 2.71Å; Q253-A290 VanDerWaalsContact OE1-O 3.11Å; R286-A290 WeakPolarHBondContact O-CB 3.33Å; R286-A290 PolarHBondContact O-N 2.85Å; A290-K292 VanDerWaalsContact C-N 3.31Å; A290-K292 PolarHBondContact O-N 3.26Å; A290-I293 PolarHBondContact O-N 3.46Å; A290-N294 PolarHBondContact O-N 3.37Å |
| 291 | S | 54.2 | Low | 60.6 | Low | 82 Ų | 82 | 60 Ų | 60 | 57% | 0.573 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.2 | -38.3 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 112.7 | P287 E289 L295 | P287-S291 PolarHBondContact O-N 3.46Å; P287-S291 VanDerWaalsContact O-N 3.12Å; E289-S291 PolarHBondContact O-N 2.8Å; S291-L295 PolarHBondContact O-N 3.31Å |
| 292 | K | 59.8 | Low | 63.3 | Low | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.4 | -28.8 | -177.7 | -72.3 | -177 | 177.1 | -172.1 | 0 | 114.7 | Q150 K288 E289 A290 L295 | Q150-K292 HydrophobicContact CB-CD 4.04Å; K288-K292 WeakPolarHBondContact O-CG 3.49Å; K288-K292 PolarHBondContact O-N 2.89Å; E289-K292 PolarHBondContact O-N 2.93Å; E289-K292 VanDerWaalsContact O-N 3.15Å; A290-K292 VanDerWaalsContact C-N 3.31Å; A290-K292 PolarHBondContact O-N 3.26Å; K292-L295 WeakPolarHBondContact O-CB 3.48Å; K292-L295 PolarHBondContact O-N 2.68Å |
| 293 | I | 60.2 | Low | 66.1 | Low | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 176.1 | -62.2 | 157.8 | 0 | 0 | 0 | 109.6 | R215 A248 E289 A290 L295 S296 | R215-I293 HydrophobicContact CB-CD1 3.41Å; R215-I293 VanDerWaalsContact CB-CD1 3.41Å; R215-I293 HydrophobicContact CB-CG1 4.22Å; R215-I293 HydrophobicContact CG-CD1 3.55Å; R215-I293 WeakPolarHBondContact O-CG1 3.31Å; A248-I293 HydrophobicContact CB-CG2 3.96Å; E289-I293 HydrophobicContact CG-CD1 4.03Å; E289-I293 WeakPolarHBondContact O-CD1 3.48Å; E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.14Å; E289-I293 VanDerWaalsContact O-N 3.11Å; A290-I293 PolarHBondContact O-N 3.46Å; I293-L295 PolarHBondContact O-N 2.97Å; I293-S296 PolarHBondContact O-N 3.34Å; I293-S296 PolarHBondContact O-OG 3.01Å |
| 294 | N | 67 | Low | 68.8 | Low | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -25.6 | 177.1 | -74.7 | -31.8 | 0 | 0 | 0 | 112.6 | Q253 A290 L297 S298 | Q253-N294 PolarHBondContact OE1-ND2 2.89Å; A290-N294 PolarHBondContact O-N 3.37Å; N294-L297 PolarHBondContact O-N 2.68Å; N294-S298 WeakPolarHBondContact O-CB 3.26Å; N294-S298 PolarHBondContact O-N 3.26Å; N294-S298 PolarHBondContact O-OG 3.05Å |
| 295 | L | 79.6 | Confident | 71.1 | Confident | 86 Ų | 86 | 50.3 Ų | 50.3 | 45% | 0.45 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.8 | -52.2 | 175.3 | -177 | 65.1 | 0 | 0 | 0 | 111.8 | E151 S291 K292 I293 L297 S298 A299 | E151-L295 HydrophobicContact CG-CD2 4.08Å; S291-L295 PolarHBondContact O-N 3.31Å; K292-L295 WeakPolarHBondContact O-CB 3.48Å; K292-L295 PolarHBondContact O-N 2.68Å; I293-L295 PolarHBondContact O-N 2.97Å; L295-L297 PolarHBondContact O-N 2.96Å; L295-S298 PolarHBondContact O-N 3.01Å; L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.3Å |
| 296 | S | 85.3 | Confident | 73.2 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | -179 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | E151 H217 I293 L300 | E151-S296 VanDerWaalsContact OE1-CB 3.3Å; E151-S296 WeakPolarHBondContact OE1-CB 3.43Å; H217-S296 PolarHBondContact NE2-OG 2.82Å; I293-S296 PolarHBondContact O-N 3.34Å; I293-S296 PolarHBondContact O-OG 3.01Å; S296-L300 WeakPolarHBondContact O-CB 3.41Å; S296-L300 PolarHBondContact O-N 3.47Å |
| 297 | L | 86.3 | Confident | 75.4 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.4 | -31.8 | 178.1 | -70 | 179.9 | 0 | 0 | 0 | 112.7 | Y96 H217 L247 A248 G249 N294 L295 L300 G301 L322 | Y96-L297 HydrophobicContact CD2-CD2 4.44Å; Y96-L297 HydrophobicContact CE2-CD2 4.13Å; H217-L297 VanDerWaalsContact CE1-CD2 3.49Å; H217-L297 WeakPolarHBondContact CE1-CD2 3.37Å; L247-L297 HydrophobicContact CB-CD2 4.5Å; L247-L297 HydrophobicContact CD1-CD2 4.42Å; A248-L297 HydrophobicContact CB-CD1 4.39Å; G249-L297 WeakPolarHBondContact O-CD1 3.46Å; N294-L297 PolarHBondContact O-N 2.68Å; L295-L297 PolarHBondContact O-N 2.96Å; L297-L300 HydrophobicContact CD2-CD2 4.35Å; L297-L300 WeakPolarHBondContact O-CB 3.36Å; L297-L300 PolarHBondContact O-N 3.25Å; L297-G301 PolarHBondContact O-N 3Å; L297-L322 HydrophobicContact CD2-CD2 4.49Å |
| 298 | S | 85.8 | Confident | 77.3 | Confident | 66 Ų | 66 | 36 Ų | 36 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.5 | -43.4 | 173.8 | -59.7 | 0 | 0 | 0 | 0 | 111 | N294 L295 L300 G301 N302 | N294-S298 WeakPolarHBondContact O-CB 3.26Å; N294-S298 PolarHBondContact O-N 3.26Å; N294-S298 PolarHBondContact O-OG 3.05Å; L295-S298 PolarHBondContact O-N 3.01Å; S298-L300 VanDerWaalsContact C-N 3.3Å; S298-L300 PolarHBondContact O-N 3.08Å; S298-G301 WeakPolarHBondContact O-CA 3.31Å; S298-G301 PolarHBondContact O-N 3.38Å; S298-G301 VanDerWaalsContact O-N 3.08Å; S298-N302 PolarHBondContact O-N 3Å |
| 299 | A | 89.6 | Confident | 78.3 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L295 G301 N302 V303 D319 T323 | L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.3Å; A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.39Å; A299-N302 PolarHBondContact O-N 2.9Å; A299-V303 WeakPolarHBondContact O-CG2 3.48Å; A299-V303 PolarHBondContact O-N 3.41Å; A299-D319 HydrophobicContact CB-CB 3.81Å; A299-T323 HydrophobicContact CB-CG2 4.17Å |
| 300 | L | 92.1 | Very high | 79 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 173.4 | -175.1 | 68.4 | 0 | 0 | 0 | 111.8 | L247 S296 L297 S298 N302 V303 I304 L322 T323 L330 F358 | L247-L300 HydrophobicContact CD1-CD2 4Å; S296-L300 WeakPolarHBondContact O-CB 3.41Å; S296-L300 PolarHBondContact O-N 3.47Å; L297-L300 HydrophobicContact CD2-CD2 4.35Å; L297-L300 WeakPolarHBondContact O-CB 3.36Å; L297-L300 PolarHBondContact O-N 3.25Å; S298-L300 VanDerWaalsContact C-N 3.3Å; S298-L300 PolarHBondContact O-N 3.08Å; L300-N302 PolarHBondContact O-N 3.15Å; L300-V303 PolarHBondContact O-N 3.03Å; L300-I304 WeakPolarHBondContact O-CG1 3.35Å; L300-I304 PolarHBondContact O-N 3.33Å; L300-L322 HydrophobicContact CD2-CD2 4.41Å; L300-T323 VanDerWaalsContact CA-CG2 3.48Å; L300-T323 HydrophobicContact CB-CG2 4Å; L300-T323 HydrophobicContact CD1-CG2 4.1Å; L300-L330 HydrophobicContact CD1-CD1 3.43Å; L300-L330 VanDerWaalsContact CD1-CD1 3.43Å; L300-F358 HydrophobicContact CD2-CZ 3.92Å; L300-F358 HydrophobicContact CG-CZ 3.94Å |
| 301 | G | 89.9 | Confident | 79.4 | Confident | 11 Ų | 11 | 48 Ų | 48 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L297 S298 A299 I304 A305 | L297-G301 PolarHBondContact O-N 3Å; S298-G301 WeakPolarHBondContact O-CA 3.31Å; S298-G301 PolarHBondContact O-N 3.38Å; S298-G301 VanDerWaalsContact O-N 3.08Å; A299-G301 VanDerWaalsContact C-N 3.33Å; A299-G301 PolarHBondContact O-N 3.39Å; G301-I304 PolarHBondContact O-N 3.01Å; G301-A305 WeakPolarHBondContact O-CB 3.32Å; G301-A305 PolarHBondContact O-N 3.5Å |
| 302 | N | 89.9 | Confident | 79.9 | Confident | 89 Ų | 89 | 46.4 Ų | 46.4 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 177 | -67.5 | -15.3 | 0 | 0 | 0 | 111.7 | S298 A299 L300 A305 A306 P316 | S298-N302 PolarHBondContact O-N 3Å; A299-N302 PolarHBondContact O-N 2.9Å; L300-N302 PolarHBondContact O-N 3.15Å; N302-A305 PolarHBondContact O-N 3.04Å; N302-A306 VanDerWaalsContact O-CB 3.26Å; N302-A306 WeakPolarHBondContact O-CB 3.31Å; N302-A306 PolarHBondContact O-N 2.76Å; N302-P316 HydrophobicContact CB-CG 4.32Å |
| 303 | V | 92.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.5 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | A299 L300 A306 L307 I315 P316 Y317 T323 L330 | A299-V303 WeakPolarHBondContact O-CG2 3.48Å; A299-V303 PolarHBondContact O-N 3.41Å; L300-V303 PolarHBondContact O-N 3.03Å; V303-A306 PolarHBondContact O-N 2.87Å; V303-L307 HydrophobicContact CG1-CD1 3.8Å; V303-L307 WeakPolarHBondContact O-CB 3.42Å; V303-L307 VanDerWaalsContact O-CG 3.31Å; V303-L307 WeakPolarHBondContact O-CG 3.42Å; V303-L307 PolarHBondContact O-N 2.85Å; V303-I315 HydrophobicContact CB-CG2 4.37Å; V303-I315 HydrophobicContact CG1-CG2 3.89Å; V303-I315 HydrophobicContact CG2-CG2 4.28Å; V303-P316 HydrophobicContact CG2-CG 4.15Å; V303-P316 WeakPolarHBondContact CG2-O 3.38Å; V303-Y317 HydrophobicContact CG1-CD1 3.83Å; V303-Y317 HydrophobicContact CG1-CE1 3.46Å; V303-Y317 VanDerWaalsContact CG1-CE1 3.46Å; V303-Y317 HydrophobicContact CG2-CD1 4.15Å; V303-T323 HydrophobicContact CB-CG2 4.45Å; V303-T323 HydrophobicContact CG2-CG2 3.9Å; V303-L330 HydrophobicContact CG1-CD1 4.3Å |
| 304 | I | 90.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 178.6 | -67.8 | -172.5 | 0 | 0 | 0 | 111.5 | L300 G301 A306 L307 A308 F358 R361 A362 I365 | L300-I304 WeakPolarHBondContact O-CG1 3.35Å; L300-I304 PolarHBondContact O-N 3.33Å; G301-I304 PolarHBondContact O-N 3.01Å; I304-A306 VanDerWaalsContact C-N 3.34Å; I304-A306 PolarHBondContact O-N 2.86Å; I304-L307 PolarHBondContact O-N 2.79Å; I304-A308 VanDerWaalsContact O-CB 3.22Å; I304-A308 WeakPolarHBondContact O-CB 3.42Å; I304-A308 PolarHBondContact O-N 3.15Å; I304-F358 HydrophobicContact CD1-CD1 4.11Å; I304-F358 HydrophobicContact CD1-CE1 3.27Å; I304-F358 HydrophobicContact CD1-CE2 4.04Å; I304-F358 HydrophobicContact CD1-CZ 3.25Å; I304-F358 HydrophobicContact CG1-CZ 4.31Å; I304-R361 HydrophobicContact CG2-CB 3.85Å; I304-A362 HydrophobicContact CD1-CB 4.06Å; I304-A362 HydrophobicContact CG2-CB 4.17Å; I304-I365 HydrophobicContact CB-CD1 4.18Å; I304-I365 HydrophobicContact CD1-CD1 4.4Å; I304-I365 HydrophobicContact CG1-CD1 3.79Å; I304-I365 HydrophobicContact CG2-CD1 4.04Å |
| 305 | A | 87.7 | Confident | 83.1 | Confident | 35 Ų | 35 | 56 Ų | 56 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G301 N302 G309 | G301-A305 WeakPolarHBondContact O-CB 3.32Å; G301-A305 PolarHBondContact O-N 3.5Å; N302-A305 PolarHBondContact O-N 3.04Å; A305-G309 PolarHBondContact O-N 3.09Å |
| 306 | A | 88.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N302 V303 I304 S312 I315 | N302-A306 VanDerWaalsContact O-CB 3.26Å; N302-A306 WeakPolarHBondContact O-CB 3.31Å; N302-A306 PolarHBondContact O-N 2.76Å; V303-A306 PolarHBondContact O-N 2.87Å; I304-A306 VanDerWaalsContact C-N 3.34Å; I304-A306 PolarHBondContact O-N 2.86Å; A306-S312 WeakPolarHBondContact CA-OG 3.35Å; A306-S312 WeakPolarHBondContact CB-OG 3.26Å; A306-S312 PolarHBondContact O-OG 2.77Å; A306-I315 HydrophobicContact CB-CD1 3.7Å |
| 307 | L | 88.5 | Confident | 84 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 179.3 | -73 | 169.9 | 0 | 0 | 0 | 113.3 | V303 I304 I315 Y317 L330 I365 | V303-L307 HydrophobicContact CG1-CD1 3.8Å; V303-L307 WeakPolarHBondContact O-CB 3.42Å; V303-L307 VanDerWaalsContact O-CG 3.31Å; V303-L307 WeakPolarHBondContact O-CG 3.42Å; V303-L307 PolarHBondContact O-N 2.85Å; I304-L307 PolarHBondContact O-N 2.79Å; L307-I315 HydrophobicContact CD2-CD1 3.85Å; L307-I315 HydrophobicContact CD2-CG1 3.88Å; L307-I315 HydrophobicContact CD2-CG2 4.31Å; L307-I315 HydrophobicContact CG-CD1 4.13Å; L307-I315 HydrophobicContact CG-CG1 4.4Å; L307-I315 HydrophobicContact CG-CG2 4.07Å; L307-Y317 HydrophobicContact CD1-CE1 4.49Å; L307-L330 HydrophobicContact CD1-CB 4Å; L307-I365 HydrophobicContact CB-CD1 4.29Å; L307-I365 HydrophobicContact CB-CG1 3.89Å; L307-I365 HydrophobicContact CB-CG2 4.46Å; L307-I365 HydrophobicContact CD1-CD1 4.12Å; L307-I365 HydrophobicContact CD1-CG1 4.41Å; L307-I365 HydrophobicContact CD1-CG2 4.1Å |
| 308 | A | 83.8 | Confident | 84.3 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 19% | 0.19 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.1 | -31.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I304 N310 R361 N364 | I304-A308 VanDerWaalsContact O-CB 3.22Å; I304-A308 WeakPolarHBondContact O-CB 3.42Å; I304-A308 PolarHBondContact O-N 3.15Å; A308-N310 VanDerWaalsContact C-N 3.32Å; A308-N310 PolarHBondContact O-N 2.88Å; A308-R361 HydrophobicContact CB-CB 4.22Å; A308-R361 WeakPolarHBondContact CB-O 3.4Å; A308-N364 HydrophobicContact CB-CB 4.31Å |
| 309 | G | 71.9 | Confident | 84.4 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -74.7 | -12.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A305 R311 | A305-G309 PolarHBondContact O-N 3.09Å; G309-R311 VanDerWaalsContact O-CG 3.31Å; G309-R311 WeakPolarHBondContact O-CG 3.44Å; G309-R311 PolarHBondContact O-N 3.37Å |
| 310 | N | 64.4 | Low | 84.5 | Confident | 144 Ų | 144 | 62.9 Ų | 62.9 | 77% | 0.77 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 49.2 | 12.2 | -174.3 | -77.5 | -18.8 | 0 | 0 | 0 | 115.6 | A308 | A308-N310 VanDerWaalsContact C-N 3.32Å; A308-N310 PolarHBondContact O-N 2.88Å |
| 311 | R | 60 | Low | 84.5 | Confident | 239 Ų | 239 | 66 Ų | 66 | 90% | 0.902 | 35% | 0.345 | S | S | * | . | trans | -107.8 | -18.8 | -172.9 | -75.8 | 173.5 | -172.4 | -172.4 | 3.3 | 113.4 | G309 | G309-R311 VanDerWaalsContact O-CG 3.31Å; G309-R311 WeakPolarHBondContact O-CG 3.44Å; G309-R311 PolarHBondContact O-N 3.37Å | ||
| 312 | S | 64.9 | Low | 84.7 | Confident | 50 Ų | 50 | 65.5 Ų | 65.5 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | trans | -91.6 | 124 | -179.2 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | A306 I315 | A306-S312 WeakPolarHBondContact CA-OG 3.35Å; A306-S312 WeakPolarHBondContact CB-OG 3.26Å; A306-S312 PolarHBondContact O-OG 2.77Å; S312-I315 WeakPolarHBondContact OG-CD1 3.39Å | ||
| 313 | T | 75 | Confident | 84.8 | Confident | 155 Ų | 155 | 61.3 Ų | 61.3 | 95% | 0.951 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -72.6 | -29.6 | 171.9 | 45.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 314 | H | 86.4 | Confident | 84.8 | Confident | 141 Ų | 141 | 63.5 Ų | 63.5 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -114.8 | 133.3 | 179.1 | 179.4 | -95.9 | 0 | 0 | 0 | 110.7 | ||
| 315 | I | 91.4 | Very high | 84.9 | Confident | 33 Ų | 33 | 65 Ų | 65 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | trans | -107.8 | 123.8 | 176.7 | -50 | -60 | 0 | 0 | 0 | 108.8 | V303 A306 L307 S312 Y317 | V303-I315 HydrophobicContact CB-CG2 4.37Å; V303-I315 HydrophobicContact CG1-CG2 3.89Å; V303-I315 HydrophobicContact CG2-CG2 4.28Å; A306-I315 HydrophobicContact CB-CD1 3.7Å; L307-I315 HydrophobicContact CD2-CD1 3.85Å; L307-I315 HydrophobicContact CD2-CG1 3.88Å; L307-I315 HydrophobicContact CD2-CG2 4.31Å; L307-I315 HydrophobicContact CG-CD1 4.13Å; L307-I315 HydrophobicContact CG-CG1 4.4Å; L307-I315 HydrophobicContact CG-CG2 4.07Å; S312-I315 WeakPolarHBondContact OG-CD1 3.39Å; I315-Y317 VanDerWaalsContact C-N 3.25Å; I315-Y317 HydrophobicContact CB-CD2 4.01Å; I315-Y317 HydrophobicContact CB-CE2 3.52Å; I315-Y317 HydrophobicContact CG1-CE2 4.3Å; I315-Y317 HydrophobicContact CG2-CD1 4.32Å; I315-Y317 HydrophobicContact CG2-CD2 3.94Å; I315-Y317 HydrophobicContact CG2-CE1 3.86Å; I315-Y317 HydrophobicContact CG2-CE2 3.47Å; I315-Y317 VanDerWaalsContact CG2-CE2 3.47Å; I315-Y317 HydrophobicContact CG2-CG 4.34Å; I315-Y317 PolarHBondContact O-N 3.39Å | ||
| 316 | P | 92.1 | Very high | 85.2 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | trans | -81.7 | 58.1 | -170.4 | 34.8 | -37.8 | 0 | 0 | 0 | 113.2 | N302 V303 R318 D319 | N302-P316 HydrophobicContact CB-CG 4.32Å; V303-P316 HydrophobicContact CG2-CG 4.15Å; V303-P316 WeakPolarHBondContact CG2-O 3.38Å; P316-R318 PolarHBondContact O-N 2.77Å; P316-D319 PolarHBondContact O-N 2.95Å | ||
| 317 | Y | 92.9 | Very high | 85.3 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -62.2 | -24.7 | 178.2 | -63.8 | -71.2 | 0 | 0 | 0 | 112.9 | V303 L307 I315 D319 T323 R324 Q327 L330 | V303-Y317 HydrophobicContact CG1-CD1 3.83Å; V303-Y317 HydrophobicContact CG1-CE1 3.46Å; V303-Y317 VanDerWaalsContact CG1-CE1 3.46Å; V303-Y317 HydrophobicContact CG2-CD1 4.15Å; L307-Y317 HydrophobicContact CD1-CE1 4.49Å; I315-Y317 VanDerWaalsContact C-N 3.25Å; I315-Y317 HydrophobicContact CB-CD2 4.01Å; I315-Y317 HydrophobicContact CB-CE2 3.52Å; I315-Y317 HydrophobicContact CG1-CE2 4.3Å; I315-Y317 HydrophobicContact CG2-CD1 4.32Å; I315-Y317 HydrophobicContact CG2-CD2 3.94Å; I315-Y317 HydrophobicContact CG2-CE1 3.86Å; I315-Y317 HydrophobicContact CG2-CE2 3.47Å; I315-Y317 VanDerWaalsContact CG2-CE2 3.47Å; I315-Y317 HydrophobicContact CG2-CG 4.34Å; I315-Y317 PolarHBondContact O-N 3.39Å; Y317-D319 VanDerWaalsContact C-N 3.34Å; Y317-D319 PolarHBondContact O-N 3.28Å; Y317-T323 CarbonylContact O-C 3.37Å; Y317-T323 WeakPolarHBondContact O-CB 3.44Å; Y317-T323 PolarHBondContact O-OG1 3.19Å; Y317-R324 WeakPolarHBondContact O-CG 3.31Å; Y317-R324 PolarHBondContact O-N 2.87Å; Y317-R324 VanDerWaalsContact O-N 3.1Å; Y317-Q327 HydrophobicContact CD1-CB 3.94Å; Y317-Q327 HydrophobicContact CD1-CG 3.9Å; Y317-Q327 HydrophobicContact CD2-CG 3.74Å; Y317-Q327 HydrophobicContact CE1-CB 4.38Å; Y317-Q327 HydrophobicContact CE1-CG 4.14Å; Y317-Q327 HydrophobicContact CE2-CG 3.97Å; Y317-Q327 HydrophobicContact CG-CB 4.07Å; Y317-Q327 HydrophobicContact CG-CG 3.71Å; Y317-L330 HydrophobicContact CE1-CB 4.38Å; Y317-L330 PolarHBondContact OH-O 3.07Å |
| 318 | R | 90.6 | Very high | 85.4 | Confident | 171 Ų | 171 | 66.5 Ų | 66.5 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -78.6 | -12.3 | -174.1 | -68.9 | -174.7 | 169.9 | -170.2 | -2.7 | 114.8 | E169 P316 S320 R324 | E169-R318 IonicContact OE2-NH2 3.43Å; E169-R318 PolarHBondContact OE2-NH2 2.7Å; P316-R318 PolarHBondContact O-N 2.77Å; R318-S320 PolarHBondContact O-N 3.43Å; R318-R324 HydrophobicContact CG-CG 4.42Å |
| 319 | D | 89.1 | Confident | 85.9 | Confident | 87 Ų | 87 | 65.5 Ų | 65.5 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -64.7 | -20.9 | -176.7 | -71.3 | 13.7 | 0 | 0 | 0 | 113.4 | A299 P316 Y317 | A299-D319 HydrophobicContact CB-CB 3.81Å; P316-D319 PolarHBondContact O-N 2.95Å; Y317-D319 VanDerWaalsContact C-N 3.34Å; Y317-D319 PolarHBondContact O-N 3.28Å |
| 320 | S | 92.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | trans | -146.5 | 156.4 | 172.4 | 76.3 | 0 | 0 | 0 | 0 | 113 | E151 R318 L322 T323 R324 | E151-S320 VanDerWaalsContact OE2-CA 3.24Å; E151-S320 WeakPolarHBondContact OE2-CA 3.46Å; R318-S320 PolarHBondContact O-N 3.43Å; S320-L322 PolarHBondContact O-N 2.94Å; S320-T323 PolarHBondContact N-OG1 2.86Å; S320-T323 PolarHBondContact O-N 2.9Å; S320-T323 PolarHBondContact O-OG1 2.84Å; S320-T323 WeakPolarHBondContact OG-CB 3.48Å; S320-T323 WeakPolarHBondContact OG-CG2 3.47Å; S320-T323 PolarHBondContact OG-N 2.62Å; S320-T323 PolarHBondContact OG-OG1 3.01Å; S320-R324 WeakPolarHBondContact O-CG 3.35Å; S320-R324 PolarHBondContact O-N 3.3Å; S320-R324 VanDerWaalsContact O-N 3.12Å | ||
| 321 | K | 91.7 | Very high | 88 | Confident | 68 Ų | 68 | 58.2 Ų | 58.2 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -35.2 | 173 | -59.8 | -62.5 | 179.2 | 170.9 | 0 | 111.9 | I148 E151 I153 L167 R324 L325 | I148-K321 HydrophobicContact CG2-CB 4.38Å; E151-K321 WeakPolarHBondContact O-CG 3.45Å; E151-K321 PolarHBondContact OE2-N 3.33Å; I153-K321 HydrophobicContact CD1-CB 4.49Å; I153-K321 HydrophobicContact CG1-CB 4.46Å; L167-K321 HydrophobicContact CD1-CB 4.1Å; L167-K321 HydrophobicContact CD1-CD 3.52Å; L167-K321 HydrophobicContact CD1-CG 4.4Å; L167-K321 HydrophobicContact CG-CD 4.29Å; K321-R324 PolarHBondContact O-N 2.8Å; K321-L325 WeakPolarHBondContact O-CG 3.4Å; K321-L325 PolarHBondContact O-N 3.4Å |
| 322 | L | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -51.4 | 177.5 | 178.5 | 66.9 | 0 | 0 | 0 | 111.3 | I148 H217 I219 L247 L297 L300 S320 R324 L325 L326 | I148-L322 HydrophobicContact CD1-CB 4.06Å; I148-L322 HydrophobicContact CD1-CD1 3.99Å; H217-L322 HydrophobicContact CB-CD1 4.28Å; I219-L322 HydrophobicContact CD1-CD1 4.28Å; L247-L322 HydrophobicContact CD2-CD1 3.91Å; L247-L322 HydrophobicContact CD2-CD2 3.89Å; L297-L322 HydrophobicContact CD2-CD2 4.49Å; L300-L322 HydrophobicContact CD2-CD2 4.41Å; S320-L322 PolarHBondContact O-N 2.94Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 2.84Å; L322-L325 PolarHBondContact O-N 3.03Å; L322-L326 HydrophobicContact CD1-CD1 3.76Å; L322-L326 HydrophobicContact CD1-CG 4.27Å; L322-L326 HydrophobicContact CG-CD1 4.12Å; L322-L326 WeakPolarHBondContact O-CB 3.49Å; L322-L326 WeakPolarHBondContact O-CG 3.41Å; L322-L326 PolarHBondContact O-N 3.47Å |
| 323 | T | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -30.4 | -179.1 | 47.6 | 0 | 0 | 0 | 0 | 112.8 | A299 L300 V303 Y317 S320 Q327 | A299-T323 HydrophobicContact CB-CG2 4.17Å; L300-T323 VanDerWaalsContact CA-CG2 3.48Å; L300-T323 HydrophobicContact CB-CG2 4Å; L300-T323 HydrophobicContact CD1-CG2 4.1Å; V303-T323 HydrophobicContact CB-CG2 4.45Å; V303-T323 HydrophobicContact CG2-CG2 3.9Å; Y317-T323 CarbonylContact O-C 3.37Å; Y317-T323 WeakPolarHBondContact O-CB 3.44Å; Y317-T323 PolarHBondContact O-OG1 3.19Å; S320-T323 PolarHBondContact N-OG1 2.86Å; S320-T323 PolarHBondContact O-N 2.9Å; S320-T323 PolarHBondContact O-OG1 2.84Å; S320-T323 WeakPolarHBondContact OG-CB 3.48Å; S320-T323 WeakPolarHBondContact OG-CG2 3.47Å; S320-T323 PolarHBondContact OG-N 2.62Å; S320-T323 PolarHBondContact OG-OG1 3.01Å; T323-Q327 PolarHBondContact O-N 3.44Å; T323-Q327 VanDerWaalsContact O-N 3.08Å |
| 324 | R | 92.7 | Very high | 91.6 | Very high | 47 Ų | 47 | 39.9 Ų | 39.9 | 18% | 0.177 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 171.6 | -70 | -174.6 | 73.7 | -178.2 | -3.7 | 112 | L167 E169 Y317 R318 S320 K321 L322 L326 Q327 | L167-R324 HydrophobicContact CD1-CB 3.88Å; E169-R324 IonicContact OE1-CZ 3.3Å; E169-R324 IonicContact OE1-NE 3.76Å; E169-R324 PolarHBondContact OE1-NE 3.33Å; E169-R324 IonicContact OE1-NH2 2.86Å; E169-R324 PolarHBondContact OE1-NH2 2.91Å; Y317-R324 WeakPolarHBondContact O-CG 3.31Å; Y317-R324 PolarHBondContact O-N 2.87Å; Y317-R324 VanDerWaalsContact O-N 3.1Å; R318-R324 HydrophobicContact CG-CG 4.42Å; S320-R324 WeakPolarHBondContact O-CG 3.35Å; S320-R324 PolarHBondContact O-N 3.3Å; S320-R324 VanDerWaalsContact O-N 3.12Å; K321-R324 PolarHBondContact O-N 2.8Å; L322-R324 VanDerWaalsContact C-N 3.31Å; L322-R324 PolarHBondContact O-N 2.84Å; R324-L326 VanDerWaalsContact C-N 3.34Å; R324-Q327 VanDerWaalsContact O-CB 3.27Å; R324-Q327 WeakPolarHBondContact O-CB 3.34Å; R324-Q327 PolarHBondContact O-N 2.89Å |
| 325 | L | 92.2 | Very high | 92 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -35.6 | 177.8 | -79.3 | 172.3 | 0 | 0 | 0 | 113 | I148 I153 L167 I177 I219 K321 L322 Q327 | I148-L325 HydrophobicContact CD1-CD1 3.74Å; I148-L325 HydrophobicContact CG1-CD1 4.48Å; I153-L325 HydrophobicContact CD1-CD1 4.12Å; L167-L325 HydrophobicContact CD1-CG 4.35Å; L167-L325 HydrophobicContact CD2-CD1 4.22Å; L167-L325 HydrophobicContact CD2-CD2 3.37Å; L167-L325 HydrophobicContact CD2-CG 3.67Å; I177-L325 HydrophobicContact CD1-CD1 4.05Å; I177-L325 HydrophobicContact CD1-CD2 3.82Å; I177-L325 HydrophobicContact CG1-CD2 3.8Å; I219-L325 HydrophobicContact CD1-CD1 4.37Å; K321-L325 WeakPolarHBondContact O-CG 3.4Å; K321-L325 PolarHBondContact O-N 3.4Å; L322-L325 PolarHBondContact O-N 3.03Å; L325-Q327 VanDerWaalsContact C-N 3.32Å |
| 326 | L | 93.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 8.2 | 179.2 | -62.6 | -178.2 | 0 | 0 | 0 | 113.5 | T92 V245 L322 R324 D328 S329 L330 | T92-L326 HydrophobicContact CG2-CD2 4.33Å; V245-L326 HydrophobicContact CG2-CD2 4.09Å; L322-L326 HydrophobicContact CD1-CD1 3.76Å; L322-L326 HydrophobicContact CD1-CG 4.27Å; L322-L326 HydrophobicContact CG-CD1 4.12Å; L322-L326 WeakPolarHBondContact O-CB 3.49Å; L322-L326 WeakPolarHBondContact O-CG 3.41Å; L322-L326 PolarHBondContact O-N 3.47Å; R324-L326 VanDerWaalsContact C-N 3.34Å; L326-D328 VanDerWaalsContact C-N 3.31Å; L326-D328 PolarHBondContact O-N 2.71Å; L326-S329 CarbonylContact O-C 3.52Å; L326-S329 WeakPolarHBondContact O-CA 3.37Å; L326-S329 VanDerWaalsContact O-CB 3.28Å; L326-S329 WeakPolarHBondContact O-CB 3.49Å; L326-S329 PolarHBondContact O-N 2.82Å; L326-L330 HydrophobicContact CB-CD1 4.23Å; L326-L330 PolarHBondContact O-N 2.69Å |
| 327 | Q | 92.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 32.8 Ų | 32.8 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -55.9 | -44.4 | -178.2 | 178.4 | 173.7 | -37.6 | 0 | 0 | 112.1 | Y317 T323 R324 L325 S329 L330 | Y317-Q327 HydrophobicContact CD1-CB 3.94Å; Y317-Q327 HydrophobicContact CD1-CG 3.9Å; Y317-Q327 HydrophobicContact CD2-CG 3.74Å; Y317-Q327 HydrophobicContact CE1-CB 4.38Å; Y317-Q327 HydrophobicContact CE1-CG 4.14Å; Y317-Q327 HydrophobicContact CE2-CG 3.97Å; Y317-Q327 HydrophobicContact CG-CB 4.07Å; Y317-Q327 HydrophobicContact CG-CG 3.71Å; T323-Q327 PolarHBondContact O-N 3.44Å; T323-Q327 VanDerWaalsContact O-N 3.08Å; R324-Q327 VanDerWaalsContact O-CB 3.27Å; R324-Q327 WeakPolarHBondContact O-CB 3.34Å; R324-Q327 PolarHBondContact O-N 2.89Å; L325-Q327 VanDerWaalsContact C-N 3.32Å; Q327-S329 PolarHBondContact O-N 3.14Å; Q327-L330 PolarHBondContact O-N 3.25Å; Q327-L330 VanDerWaalsContact O-O 3.11Å |
| 328 | D | 90.5 | Very high | 92.8 | Very high | 54 Ų | 54 | 31.4 Ų | 31.4 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -69.3 | -25 | 176.8 | -71 | -33 | 0 | 0 | 0 | 112.8 | L326 G332 N333 A334 | L326-D328 VanDerWaalsContact C-N 3.31Å; L326-D328 PolarHBondContact O-N 2.71Å; D328-G332 CarbonylContact O-C 3.56Å; D328-G332 VanDerWaalsContact O-CA 3.26Å; D328-G332 WeakPolarHBondContact O-CA 3.48Å; D328-G332 PolarHBondContact O-N 2.85Å; D328-N333 PolarHBondContact O-N 2.9Å; D328-A334 WeakPolarHBondContact O-CB 3.34Å; D328-A334 PolarHBondContact O-N 3.31Å |
| 329 | S | 93.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -78.1 | -24.4 | 178.9 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | T92 L326 Q327 T336 N367 | T92-S329 WeakPolarHBondContact CB-OG 3.16Å; T92-S329 PolarHBondContact OG1-OG 2.94Å; L326-S329 CarbonylContact O-C 3.52Å; L326-S329 WeakPolarHBondContact O-CA 3.37Å; L326-S329 VanDerWaalsContact O-CB 3.28Å; L326-S329 WeakPolarHBondContact O-CB 3.49Å; L326-S329 PolarHBondContact O-N 2.82Å; Q327-S329 PolarHBondContact O-N 3.14Å; S329-T336 WeakPolarHBondContact O-CB 3.21Å; S329-T336 PolarHBondContact O-OG1 3.46Å; S329-N367 PolarHBondContact O-ND2 2.96Å |
| 330 | L | 92.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -120.6 | 94.9 | -175.1 | -60 | 171.4 | 0 | 0 | 0 | 108.6 | L11 F94 L300 V303 L307 Y317 L326 Q327 I365 | L11-L330 HydrophobicContact CD1-CD2 3.72Å; F94-L330 HydrophobicContact CE1-CD2 4.26Å; F94-L330 HydrophobicContact CZ-CD2 4.44Å; L300-L330 HydrophobicContact CD1-CD1 3.43Å; L300-L330 VanDerWaalsContact CD1-CD1 3.43Å; V303-L330 HydrophobicContact CG1-CD1 4.3Å; L307-L330 HydrophobicContact CD1-CB 4Å; Y317-L330 HydrophobicContact CE1-CB 4.38Å; Y317-L330 PolarHBondContact OH-O 3.07Å; L326-L330 HydrophobicContact CB-CD1 4.23Å; L326-L330 PolarHBondContact O-N 2.69Å; Q327-L330 PolarHBondContact O-N 3.25Å; Q327-L330 VanDerWaalsContact O-O 3.11Å; L330-I365 HydrophobicContact CD2-CD1 4.32Å |
| 331 | G | 87.5 | Confident | 93.8 | Very high | 28 Ų | 28 | 19 Ų | 19 | 29% | 0.289 | 10% | 0.103 | S | C | . | . | S | Bend | trans | 85.1 | 1.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N367 | G331-N367 VanDerWaalsContact CA-OD1 3.31Å; G331-N367 WeakPolarHBondContact CA-OD1 3.34Å; G331-N367 PolarHBondContact N-OD1 3.47Å |
| 332 | G | 90.1 | Very high | 93.9 | Very high | 18 Ų | 18 | 15.9 Ų | 15.9 | 19% | 0.186 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -109.7 | -150.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D328 A334 K368 | D328-G332 CarbonylContact O-C 3.56Å; D328-G332 VanDerWaalsContact O-CA 3.26Å; D328-G332 WeakPolarHBondContact O-CA 3.48Å; D328-G332 PolarHBondContact O-N 2.85Å; G332-A334 PolarHBondContact O-N 3.42Å; G332-K368 PolarHBondContact O-N 3.1Å |
| 333 | N | 91.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 15.9 Ų | 15.9 | 21% | 0.214 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -89.9 | 66.6 | -179.7 | -178.8 | 29.5 | 0 | 0 | 0 | 111.8 | N90 D328 K368 P369 R370 N372 | N90-N333 VanDerWaalsContact CB-O 3.32Å; N90-N333 WeakPolarHBondContact CB-O 3.47Å; N90-N333 PolarHBondContact ND2-O 3.04Å; D328-N333 PolarHBondContact O-N 2.9Å; N333-K368 PolarHBondContact OD1-O 2.97Å; N333-P369 WeakPolarHBondContact OD1-CA 3.31Å; N333-R370 WeakPolarHBondContact OD1-CB 3.19Å; N333-R370 PolarHBondContact OD1-N 3.4Å; N333-R370 PolarHBondContact OD1-O 3.44Å; N333-N372 PolarHBondContact ND2-OD1 3.36Å |
| 334 | A | 93.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -156.4 | 153.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N90 D328 G332 N367 | N90-A334 HydrophobicContact CB-CB 3.74Å; N90-A334 CarbonylContact O-C 3.58Å; N90-A334 WeakPolarHBondContact O-CA 3.35Å; D328-A334 WeakPolarHBondContact O-CB 3.34Å; D328-A334 PolarHBondContact O-N 3.31Å; G332-A334 PolarHBondContact O-N 3.42Å; A334-N367 VanDerWaalsContact O-CB 3.26Å; A334-N367 WeakPolarHBondContact O-CB 3.44Å; A334-N367 PolarHBondContact O-ND2 3.43Å |
| 335 | K | 96 | Very high | 93.9 | Very high | 37 Ų | 37 | 13.7 Ų | 13.7 | 16% | 0.161 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.7 | 163.7 | -65.7 | -170.9 | -176.9 | -175.8 | 0 | 108.3 | E9 L81 S84 N90 G91 T92 P369 | E9-K335 WeakPolarHBondContact OE2-CE 3.35Å; L81-K335 HydrophobicContact CD1-CB 3.3Å; L81-K335 HydrophobicContact CD1-CD 4.45Å; L81-K335 HydrophobicContact CD1-CG 4.48Å; L81-K335 WeakPolarHBondContact CD1-O 3.5Å; S84-K335 PolarHBondContact OG-NZ 3.47Å; N90-K335 PolarHBondContact O-N 2.87Å; G91-K335 CarbonylContact C-O 3.59Å; G91-K335 VanDerWaalsContact CA-O 3.29Å; G91-K335 WeakPolarHBondContact CA-O 3.38Å; T92-K335 PolarHBondContact N-O 3.02Å; K335-P369 HydrophobicContact CG-CB 3.56Å; K335-P369 HydrophobicContact CG-CG 3.8Å |
| 336 | T | 96.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 13.6 Ų | 13.6 | 5% | 0.049 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.2 | -170.3 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | L11 K12 T92 F94 S329 N367 | L11-T336 HydrophobicContact CD1-CG2 3.65Å; L11-T336 HydrophobicContact CG-CG2 4.01Å; K12-T336 PolarHBondContact N-O 3.41Å; K12-T336 VanDerWaalsContact N-O 3.09Å; T92-T336 HydrophobicContact CG2-CG2 4.37Å; T92-T336 CarbonylContact O-C 3.19Å; T92-T336 WeakPolarHBondContact O-CA 3.39Å; F94-T336 HydrophobicContact CD1-CG2 3.96Å; F94-T336 HydrophobicContact CE1-CG2 3.62Å; S329-T336 WeakPolarHBondContact O-CB 3.21Å; S329-T336 PolarHBondContact O-OG1 3.46Å; T336-N367 PolarHBondContact OG1-ND2 2.93Å |
| 337 | I | 98.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.9 | 173.8 | -62.2 | 169.1 | 0 | 0 | 0 | 108.6 | K12 T77 L81 T92 V93 F94 V339 | K12-I337 HydrophobicContact CB-CG1 4.2Å; K12-I337 CarbonylContact O-C 3.5Å; K12-I337 VanDerWaalsContact O-CA 3.31Å; K12-I337 WeakPolarHBondContact O-CA 3.33Å; T77-I337 HydrophobicContact CG2-CD1 4.02Å; T77-I337 HydrophobicContact CG2-CG2 3.76Å; T77-I337 WeakPolarHBondContact O-CD1 3.35Å; L81-I337 HydrophobicContact CB-CD1 3.69Å; L81-I337 HydrophobicContact CD2-CD1 3.71Å; L81-I337 HydrophobicContact CD2-CG1 4.16Å; L81-I337 HydrophobicContact CG-CD1 4.21Å; T92-I337 PolarHBondContact O-N 3.14Å; V93-I337 WeakPolarHBondContact CA-O 3.49Å; V93-I337 HydrophobicContact CG2-CB 4.43Å; F94-I337 PolarHBondContact N-O 3.39Å; I337-V339 HydrophobicContact CG2-CG2 4.31Å |
| 338 | M | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.3 | 168.1 | 177.2 | -179.4 | 172.9 | 0 | 0 | 109.7 | L11 K12 V13 V14 F94 Y96 A340 F358 A359 A362 | L11-M338 HydrophobicContact CD2-CB 3.88Å; K12-M338 PolarHBondContact O-N 3.2Å; V13-M338 HydrophobicContact CG1-CB 4.49Å; V13-M338 HydrophobicContact CG1-SD 4.37Å; V13-M338 HydrophobicContact CG2-CB 4.22Å; V14-M338 PolarHBondContact N-O 3.49Å; F94-M338 HydrophobicContact CD2-CG 4.18Å; F94-M338 HydrophobicContact CE1-CB 3.9Å; F94-M338 HydrophobicContact CE1-CG 4.44Å; F94-M338 HydrophobicContact CE2-CB 3.84Å; F94-M338 HydrophobicContact CE2-CE 4.49Å; F94-M338 HydrophobicContact CE2-CG 3.44Å; F94-M338 VanDerWaalsContact CE2-CG 3.44Å; F94-M338 HydrophobicContact CE2-SD 3.9Å; F94-M338 HydrophobicContact CZ-CB 3.49Å; F94-M338 VanDerWaalsContact CZ-CB 3.49Å; F94-M338 HydrophobicContact CZ-CG 3.61Å; F94-M338 HydrophobicContact CZ-SD 3.98Å; Y96-M338 HydrophobicContact CD1-CE 3.53Å; Y96-M338 HydrophobicContact CE1-CE 4.45Å; Y96-M338 HydrophobicContact CG-CE 3.84Å; M338-A340 HydrophobicContact CE-CB 4.11Å; M338-F358 HydrophobicContact CE-CD1 3.51Å; M338-F358 HydrophobicContact CE-CE1 3.79Å; M338-F358 HydrophobicContact SD-CD1 4.14Å; M338-F358 HydrophobicContact SD-CE1 4.16Å; M338-A359 HydrophobicContact CE-CB 3.9Å; M338-A359 HydrophobicContact SD-CB 4.34Å; M338-A362 HydrophobicContact SD-CB 3.66Å |
| 339 | V | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 105.5 | 169.7 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | V14 R16 L73 V93 F94 A95 Y96 T106 I337 T341 | V14-V339 HydrophobicContact CG2-CB 4.24Å; V14-V339 HydrophobicContact CG2-CG1 4.17Å; V14-V339 HydrophobicContact CG2-CG2 3.87Å; R16-V339 HydrophobicContact CB-CG1 4.36Å; L73-V339 HydrophobicContact CD1-CG1 4.28Å; V93-V339 HydrophobicContact CG1-CG2 4.24Å; F94-V339 PolarHBondContact O-N 3.39Å; A95-V339 WeakPolarHBondContact CA-O 3.48Å; Y96-V339 PolarHBondContact N-O 3.04Å; T106-V339 HydrophobicContact CG2-CG1 4.06Å; I337-V339 HydrophobicContact CG2-CG2 4.31Å; V339-T341 HydrophobicContact CG1-CG2 4.21Å; V339-T341 PolarHBondContact O-N 3.43Å |
| 340 | A | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 108.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V14 A15 R16 Y96 M338 T355 A359 | V14-A340 PolarHBondContact O-N 3.1Å; A15-A340 CarbonylContact C-O 3.35Å; A15-A340 WeakPolarHBondContact CA-O 3.32Å; R16-A340 PolarHBondContact N-O 3.23Å; Y96-A340 WeakPolarHBondContact O-CA 3.12Å; M338-A340 HydrophobicContact CE-CB 4.11Å; A340-T355 HydrophobicContact CB-CG2 4.09Å; A340-A359 HydrophobicContact CB-CB 3.84Å |
| 341 | T | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.4 | -177.4 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | R16 Y96 T101 K103 V339 | R16-T341 CarbonylContact O-C 3.54Å; R16-T341 WeakPolarHBondContact O-CA 3.22Å; Y96-T341 PolarHBondContact O-N 2.94Å; Y96-T341 PolarHBondContact O-OG1 2.92Å; T101-T341 WeakPolarHBondContact CB-O 3.43Å; T101-T341 WeakPolarHBondContact OG1-CB 3.4Å; T101-T341 PolarHBondContact OG1-O 3.43Å; T101-T341 PolarHBondContact OG1-OG1 3.14Å; K103-T341 HydrophobicContact CG-CG2 4.41Å; K103-T341 WeakPolarHBondContact CG-OG1 3.26Å; V339-T341 HydrophobicContact CG1-CG2 4.21Å; V339-T341 PolarHBondContact O-N 3.43Å |
| 342 | L | 95.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.9 | -169.3 | -57.8 | 170.1 | 0 | 0 | 0 | 112 | A15 R16 C17 R18 L33 M35 V42 T355 L356 | A15-L342 HydrophobicContact CB-CD1 4.28Å; R16-L342 PolarHBondContact O-N 3.28Å; C17-L342 HydrophobicContact CB-CB 4.48Å; R18-L342 PolarHBondContact N-O 3.15Å; L33-L342 HydrophobicContact CD1-CB 3.68Å; L33-L342 HydrophobicContact CD1-CD1 4.28Å; M35-L342 HydrophobicContact CE-CD1 3.86Å; V42-L342 HydrophobicContact CG1-CD1 4.21Å; L342-T355 HydrophobicContact CD2-CG2 3.65Å; L342-L356 HydrophobicContact CD1-CD1 4.49Å; L342-L356 HydrophobicContact CD1-CD2 3.72Å; L342-L356 HydrophobicContact CD1-CG 4.12Å; L342-L356 HydrophobicContact CD2-CD2 4.39Å; L342-L356 HydrophobicContact CD2-CG 4.05Å |
| 343 | G | 92.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -94.7 | 132.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L33 A345 S352 | L33-G343 VanDerWaalsContact CD1-O 3.27Å; L33-G343 WeakPolarHBondContact CD1-O 3.36Å; G343-A345 VanDerWaalsContact C-N 3.31Å; G343-A345 PolarHBondContact O-N 3.46Å; G343-S352 PolarHBondContact O-OG 2.99Å | ||
| 344 | P | 92.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.013 | 9% | 0.086 | C | C | . | . | trans | -74.8 | -16.6 | -176.5 | 29.7 | -36.3 | 0 | 0 | 0 | 114.3 | R18 L20 Q31 I32 | R18-P344 WeakPolarHBondContact O-CD 3.45Å; R18-P344 WeakPolarHBondContact O-CG 3.45Å; L20-P344 HydrophobicContact CB-CG 4.37Å; L20-P344 HydrophobicContact CD2-CG 4.09Å; L20-P344 HydrophobicContact CG-CB 4.18Å; L20-P344 HydrophobicContact CG-CG 3.77Å; Q31-P344 WeakPolarHBondContact CA-O 3.31Å; Q31-P344 HydrophobicContact CG-CB 4.21Å; I32-P344 VanDerWaalsContact CG1-O 3.3Å; I32-P344 WeakPolarHBondContact CG1-O 3.39Å; I32-P344 PolarHBondContact N-O 2.86Å | ||
| 345 | A | 92.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 148 | -169 | 0 | 0 | 0 | 0 | 0 | 114.1 | L20 E24 H29 I32 G343 H347 S348 | L20-A345 HydrophobicContact CD2-CB 4.15Å; E24-A345 HydrophobicContact CB-CB 4.27Å; E24-A345 HydrophobicContact CG-CB 3.91Å; E24-A345 VanDerWaalsContact OE1-CB 3.31Å; E24-A345 WeakPolarHBondContact OE1-CB 3.38Å; H29-A345 HydrophobicContact CB-CB 4Å; I32-A345 WeakPolarHBondContact CD1-O 3.35Å; G343-A345 VanDerWaalsContact C-N 3.31Å; G343-A345 PolarHBondContact O-N 3.46Å; A345-H347 VanDerWaalsContact C-N 3.3Å; A345-H347 PolarHBondContact O-N 3.15Å; A345-S348 PolarHBondContact O-N 3Å; A345-S348 VanDerWaalsContact O-N 3.07Å |
| 346 | S | 90.9 | Very high | 93.5 | Very high | 27 Ų | 27 | 14.2 Ų | 14.2 | 19% | 0.189 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -57.8 | -32.3 | -178 | 62.9 | 0 | 0 | 0 | 0 | 115.4 | E30 S348 Y349 | E30-S346 PolarHBondContact O-N 2.97Å; S346-S348 PolarHBondContact O-N 2.97Å; S346-Y349 WeakPolarHBondContact O-CB 3.5Å; S346-Y349 PolarHBondContact O-N 3.25Å |
| 347 | H | 87.5 | Confident | 93.3 | Very high | 84 Ų | 84 | 16.8 Ų | 16.8 | 39% | 0.389 | 9% | 0.087 | S | C | . | . | G | 310 helix | trans | -69.2 | -22.8 | 178.8 | 75.1 | -95 | 0 | 0 | 0 | 113.3 | E24 H29 A345 Y349 | E24-H347 IonicContact OE1-CE1 3.58Å; H29-H347 AromaticContact CD2-ND1 3.41Å; H29-H347 PolarHBondContact CD2-ND1 3.21Å; H29-H347 AromaticContact CE1-ND1 3.98Å; H29-H347 AromaticContact CG-ND1 3.97Å; H29-H347 AromaticContact NE2-ND1 3.41Å; H29-H347 PolarHBondContact NE2-ND1 3.28Å; A345-H347 VanDerWaalsContact C-N 3.3Å; A345-H347 PolarHBondContact O-N 3.15Å; H347-Y349 VanDerWaalsContact C-N 3.32Å |
| 348 | S | 87.8 | Confident | 93.1 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -88.6 | 9.1 | 179.3 | -68.3 | 0 | 0 | 0 | 0 | 113.3 | Q98 A345 S346 D350 E351 S352 | Q98-S348 PolarHBondContact OE1-OG 3.26Å; A345-S348 PolarHBondContact O-N 3Å; A345-S348 VanDerWaalsContact O-N 3.07Å; S346-S348 PolarHBondContact O-N 2.97Å; S348-D350 PolarHBondContact O-N 3.29Å; S348-E351 PolarHBondContact O-N 2.88Å; S348-S352 VanDerWaalsContact O-CB 3.31Å; S348-S352 WeakPolarHBondContact O-CB 3.37Å; S348-S352 PolarHBondContact O-N 2.82Å; S348-S352 PolarHBondContact O-OG 3.43Å |
| 349 | Y | 91 | Very high | 93 | Very high | 20 Ų | 20 | 16.8 Ų | 16.8 | 8% | 0.078 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -51.6 | -53.7 | -177.6 | 174.8 | -97.9 | 0 | 0 | 0 | 113 | I32 L44 R45 N46 S346 H347 E351 S352 L353 | I32-Y349 HydrophobicContact CD1-CD2 4.04Å; I32-Y349 HydrophobicContact CD1-CG 4.37Å; L44-Y349 HydrophobicContact CD1-CD2 4.05Å; L44-Y349 HydrophobicContact CD1-CE2 4.39Å; L44-Y349 HydrophobicContact CD2-CD2 3.81Å; L44-Y349 HydrophobicContact CD2-CE2 3.52Å; L44-Y349 HydrophobicContact CG-CD2 3.83Å; L44-Y349 HydrophobicContact CG-CE2 3.65Å; R45-Y349 WeakPolarHBondContact O-CD2 3.4Å; N46-Y349 VanDerWaalsContact CA-CE2 3.41Å; N46-Y349 HydrophobicContact CB-CD2 4.47Å; N46-Y349 HydrophobicContact CB-CE1 4.35Å; N46-Y349 HydrophobicContact CB-CE2 3.67Å; N46-Y349 WeakPolarHBondContact CB-OH 3.44Å; S346-Y349 WeakPolarHBondContact O-CB 3.5Å; S346-Y349 PolarHBondContact O-N 3.25Å; H347-Y349 VanDerWaalsContact C-N 3.32Å; Y349-E351 VanDerWaalsContact C-N 3.31Å; Y349-E351 PolarHBondContact O-N 2.95Å; Y349-S352 PolarHBondContact O-N 3.23Å; Y349-L353 HydrophobicContact CE1-CD2 4.26Å; Y349-L353 WeakPolarHBondContact O-CB 3.47Å; Y349-L353 PolarHBondContact O-N 2.94Å |
| 350 | D | 89.6 | Confident | 92.8 | Very high | 71 Ų | 71 | 19.1 Ų | 19.1 | 38% | 0.38 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -61.8 | -40.7 | -175.7 | -54.4 | -48.6 | 0 | 0 | 0 | 112 | K255 S348 S354 | K255-D350 IonicContact NZ-OD2 3.82Å; K255-D350 PolarHBondContact NZ-OD2 3.48Å; S348-D350 PolarHBondContact O-N 3.29Å; D350-S354 WeakPolarHBondContact O-CB 3.47Å; D350-S354 PolarHBondContact O-N 3.26Å |
| 351 | E | 89.7 | Confident | 92.6 | Very high | 14 Ų | 14 | 22.8 Ų | 22.8 | 7% | 0.065 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75.2 | -37 | -177.9 | -63.6 | -62.3 | 162.5 | 0 | 0 | 111.8 | Q98 S348 Y349 S354 T355 | Q98-E351 HydrophobicContact CB-CB 4.17Å; Q98-E351 HydrophobicContact CG-CB 4.47Å; S348-E351 PolarHBondContact O-N 2.88Å; Y349-E351 VanDerWaalsContact C-N 3.31Å; Y349-E351 PolarHBondContact O-N 2.95Å; E351-S354 PolarHBondContact O-N 3.46Å; E351-T355 WeakPolarHBondContact O-CB 3.37Å; E351-T355 PolarHBondContact O-N 3.1Å; E351-T355 PolarHBondContact O-OG1 2.84Å |
| 352 | S | 93.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 173.4 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | G343 S348 Y349 T355 L356 | G343-S352 PolarHBondContact O-OG 2.99Å; S348-S352 VanDerWaalsContact O-CB 3.31Å; S348-S352 WeakPolarHBondContact O-CB 3.37Å; S348-S352 PolarHBondContact O-N 2.82Å; S348-S352 PolarHBondContact O-OG 3.43Å; Y349-S352 PolarHBondContact O-N 3.23Å; S352-T355 PolarHBondContact O-N 2.97Å; S352-L356 WeakPolarHBondContact O-CB 3.32Å; S352-L356 VanDerWaalsContact O-CG 3.22Å; S352-L356 WeakPolarHBondContact O-CG 3.42Å; S352-L356 PolarHBondContact O-N 3.29Å |
| 353 | L | 93.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 8% | 0.079 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 173.8 | -179.7 | 59.7 | 0 | 0 | 0 | 111.6 | L44 K56 F58 Y349 L356 R357 | L44-L353 HydrophobicContact CD2-CB 3.68Å; L44-L353 HydrophobicContact CD2-CD1 4.02Å; L44-L353 HydrophobicContact CD2-CG 4.39Å; K56-L353 HydrophobicContact CD-CD1 3.87Å; F58-L353 HydrophobicContact CE2-CD1 4.25Å; F58-L353 HydrophobicContact CZ-CD1 3.96Å; Y349-L353 HydrophobicContact CE1-CD2 4.26Å; Y349-L353 WeakPolarHBondContact O-CB 3.47Å; Y349-L353 PolarHBondContact O-N 2.94Å; L353-L356 PolarHBondContact O-N 3.42Å; L353-R357 HydrophobicContact CD1-CG 4.27Å; L353-R357 WeakPolarHBondContact O-CB 3.38Å; L353-R357 WeakPolarHBondContact O-CG 3.38Å; L353-R357 PolarHBondContact O-N 2.88Å |
| 354 | S | 91.9 | Very high | 92.3 | Very high | 47 Ų | 47 | 29.5 Ų | 29.5 | 33% | 0.329 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59 | -47.6 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | D350 E351 L356 R357 F358 | D350-S354 WeakPolarHBondContact O-CB 3.47Å; D350-S354 PolarHBondContact O-N 3.26Å; E351-S354 PolarHBondContact O-N 3.46Å; S354-L356 PolarHBondContact O-N 2.93Å; S354-R357 PolarHBondContact O-N 2.79Å; S354-F358 WeakPolarHBondContact O-CB 3.36Å; S354-F358 PolarHBondContact O-N 3.05Å |
| 355 | T | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | Y96 A340 L342 E351 S352 F358 A359 | Y96-T355 HydrophobicContact CD1-CG2 4Å; Y96-T355 HydrophobicContact CE1-CG2 4.19Å; A340-T355 HydrophobicContact CB-CG2 4.09Å; L342-T355 HydrophobicContact CD2-CG2 3.65Å; E351-T355 WeakPolarHBondContact O-CB 3.37Å; E351-T355 PolarHBondContact O-N 3.1Å; E351-T355 PolarHBondContact O-OG1 2.84Å; S352-T355 PolarHBondContact O-N 2.97Å; T355-F358 PolarHBondContact O-N 2.88Å; T355-A359 VanDerWaalsContact O-CB 3.27Å; T355-A359 WeakPolarHBondContact O-CB 3.21Å; T355-A359 PolarHBondContact O-N 2.87Å |
| 356 | L | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.9 | -74.7 | 168.9 | 0 | 0 | 0 | 112.6 | L33 V42 L44 F58 F60 L342 S352 L353 S354 A359 N360 | L33-L356 HydrophobicContact CD2-CD1 4.38Å; V42-L356 HydrophobicContact CB-CD2 4.17Å; V42-L356 HydrophobicContact CG1-CD1 4.25Å; V42-L356 HydrophobicContact CG1-CD2 4.06Å; V42-L356 HydrophobicContact CG2-CD2 4.46Å; L44-L356 HydrophobicContact CB-CD1 4.21Å; L44-L356 HydrophobicContact CD2-CD1 4.27Å; F58-L356 HydrophobicContact CD1-CB 4.46Å; F58-L356 HydrophobicContact CD2-CB 3.99Å; F58-L356 HydrophobicContact CD2-CD1 3.88Å; F58-L356 HydrophobicContact CD2-CD2 4.35Å; F58-L356 HydrophobicContact CD2-CG 4.31Å; F58-L356 HydrophobicContact CE1-CB 4.39Å; F58-L356 HydrophobicContact CE2-CB 3.92Å; F58-L356 HydrophobicContact CE2-CD1 3.96Å; F58-L356 HydrophobicContact CG-CB 4.26Å; F58-L356 HydrophobicContact CZ-CB 4.13Å; F60-L356 HydrophobicContact CE2-CD2 3.51Å; F60-L356 HydrophobicContact CZ-CD2 3.67Å; L342-L356 HydrophobicContact CD1-CD1 4.49Å; L342-L356 HydrophobicContact CD1-CD2 3.72Å; L342-L356 HydrophobicContact CD1-CG 4.12Å; L342-L356 HydrophobicContact CD2-CD2 4.39Å; L342-L356 HydrophobicContact CD2-CG 4.05Å; S352-L356 WeakPolarHBondContact O-CB 3.32Å; S352-L356 VanDerWaalsContact O-CG 3.22Å; S352-L356 WeakPolarHBondContact O-CG 3.42Å; S352-L356 PolarHBondContact O-N 3.29Å; L353-L356 PolarHBondContact O-N 3.42Å; S354-L356 PolarHBondContact O-N 2.93Å; L356-A359 PolarHBondContact O-N 2.79Å; L356-N360 VanDerWaalsContact O-CB 3.25Å; L356-N360 WeakPolarHBondContact O-CB 3.45Å; L356-N360 PolarHBondContact O-N 2.93Å |
| 357 | R | 93.5 | Very high | 92.3 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.3 | -77.1 | 177.4 | 170.4 | 171.6 | -5.4 | 111.6 | F58 L353 S354 N360 R361 D604 | F58-R357 HydrophobicContact CE1-CG 4.36Å; F58-R357 HydrophobicContact CZ-CG 4.34Å; L353-R357 HydrophobicContact CD1-CG 4.27Å; L353-R357 WeakPolarHBondContact O-CB 3.38Å; L353-R357 WeakPolarHBondContact O-CG 3.38Å; L353-R357 PolarHBondContact O-N 2.88Å; S354-R357 PolarHBondContact O-N 2.79Å; R357-N360 PolarHBondContact O-N 3.42Å; R357-R361 WeakPolarHBondContact O-CG 3.49Å; R357-R361 PolarHBondContact O-N 3.48Å; R357-R361 VanDerWaalsContact O-N 3.09Å; R357-D604 IonicContact CZ-OD2 2.85Å; R357-D604 IonicContact NH2-OD1 2.77Å; R357-D604 IonicContact NH2-OD2 3.4Å; R357-D604 PolarHBondContact NH2-OD2 3.49Å |
| 358 | F | 93.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 2% | 0.022 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 175.4 | -174.4 | -80 | 0 | 0 | 0 | 111.4 | Y96 L300 I304 M338 S354 T355 N360 R361 A362 | Y96-F358 AromaticContact CD1-CD1 3.91Å; Y96-F358 HydrophobicContact CD1-CD1 3.91Å; Y96-F358 HydrophobicContact CD1-CE1 4.1Å; Y96-F358 HydrophobicContact CD1-CG 4.46Å; Y96-F358 HydrophobicContact CD2-CE1 4.15Å; Y96-F358 HydrophobicContact CD2-CZ 4.28Å; Y96-F358 HydrophobicContact CE1-CB 4.05Å; Y96-F358 AromaticContact CE1-CD1 3.68Å; Y96-F358 HydrophobicContact CE1-CD1 3.68Å; Y96-F358 HydrophobicContact CE1-CD2 4.29Å; Y96-F358 HydrophobicContact CE1-CE1 4.05Å; Y96-F358 AromaticContact CE1-CG 3.78Å; Y96-F358 HydrophobicContact CE1-CG 3.78Å; Y96-F358 HydrophobicContact CE1-CZ 4.48Å; Y96-F358 HydrophobicContact CE2-CD1 4.49Å; Y96-F358 HydrophobicContact CE2-CE1 4.08Å; Y96-F358 HydrophobicContact CE2-CE2 4.19Å; Y96-F358 AromaticContact CE2-CZ 3.89Å; Y96-F358 HydrophobicContact CE2-CZ 3.89Å; Y96-F358 HydrophobicContact CG-CD1 4.42Å; Y96-F358 HydrophobicContact CG-CE1 4.16Å; Y96-F358 AromaticContact CZ-CD1 3.99Å; Y96-F358 AromaticContact CZ-CD2 3.95Å; Y96-F358 AromaticContact CZ-CE2 3.99Å; Y96-F358 AromaticContact CZ-CG 3.92Å; L300-F358 HydrophobicContact CD2-CZ 3.92Å; L300-F358 HydrophobicContact CG-CZ 3.94Å; I304-F358 HydrophobicContact CD1-CD1 4.11Å; I304-F358 HydrophobicContact CD1-CE1 3.27Å; I304-F358 HydrophobicContact CD1-CE2 4.04Å; I304-F358 HydrophobicContact CD1-CZ 3.25Å; I304-F358 HydrophobicContact CG1-CZ 4.31Å; M338-F358 HydrophobicContact CE-CD1 3.51Å; M338-F358 HydrophobicContact CE-CE1 3.79Å; M338-F358 HydrophobicContact SD-CD1 4.14Å; M338-F358 HydrophobicContact SD-CE1 4.16Å; S354-F358 WeakPolarHBondContact O-CB 3.36Å; S354-F358 PolarHBondContact O-N 3.05Å; T355-F358 PolarHBondContact O-N 2.88Å; F358-N360 VanDerWaalsContact C-N 3.34Å; F358-N360 PolarHBondContact O-N 3.42Å; F358-R361 PolarHBondContact O-N 2.83Å; F358-R361 VanDerWaalsContact O-N 3.16Å; F358-A362 PolarHBondContact O-N 3.31Å |
| 359 | A | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V13 F60 M338 A340 T355 L356 R361 A362 K363 | V13-A359 HydrophobicContact CG1-CB 3.75Å; F60-A359 HydrophobicContact CE1-CB 3.62Å; F60-A359 HydrophobicContact CZ-CB 4.01Å; M338-A359 HydrophobicContact CE-CB 3.9Å; M338-A359 HydrophobicContact SD-CB 4.34Å; A340-A359 HydrophobicContact CB-CB 3.84Å; T355-A359 VanDerWaalsContact O-CB 3.27Å; T355-A359 WeakPolarHBondContact O-CB 3.21Å; T355-A359 PolarHBondContact O-N 2.87Å; L356-A359 PolarHBondContact O-N 2.79Å; A359-R361 VanDerWaalsContact C-N 3.28Å; A359-R361 PolarHBondContact O-N 2.82Å; A359-A362 PolarHBondContact O-N 2.81Å; A359-A362 VanDerWaalsContact O-N 3.17Å; A359-K363 PolarHBondContact O-N 2.94Å; A359-K363 VanDerWaalsContact O-N 3.16Å |
| 360 | N | 94.4 | Very high | 92.6 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68 | -26.4 | 179.1 | -172 | 65.2 | 0 | 0 | 0 | 113 | F58 F60 L356 R357 F358 K363 N364 | F58-N360 HydrophobicContact CD1-CB 4.03Å; F58-N360 HydrophobicContact CE1-CB 4.49Å; F60-N360 HydrophobicContact CE1-CB 4.33Å; L356-N360 VanDerWaalsContact O-CB 3.25Å; L356-N360 WeakPolarHBondContact O-CB 3.45Å; L356-N360 PolarHBondContact O-N 2.93Å; R357-N360 PolarHBondContact O-N 3.42Å; F358-N360 VanDerWaalsContact C-N 3.34Å; F358-N360 PolarHBondContact O-N 3.42Å; N360-K363 WeakPolarHBondContact O-CG 3.5Å; N360-K363 VanDerWaalsContact OD1-CE 3.23Å; N360-K363 WeakPolarHBondContact OD1-CE 3.45Å; N360-K363 PolarHBondContact OD1-NZ 2.89Å; N360-N364 PolarHBondContact O-ND2 2.9Å |
| 361 | R | 92.3 | Very high | 92.7 | Very high | 76 Ų | 76 | 41.8 Ų | 41.8 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.9 | -44.4 | 168.8 | -72 | -174.7 | -70.3 | -175.3 | -3.8 | 111.2 | I304 A308 R357 F358 A359 K363 N364 E608 | I304-R361 HydrophobicContact CG2-CB 3.85Å; A308-R361 HydrophobicContact CB-CB 4.22Å; A308-R361 WeakPolarHBondContact CB-O 3.4Å; R357-R361 WeakPolarHBondContact O-CG 3.49Å; R357-R361 PolarHBondContact O-N 3.48Å; R357-R361 VanDerWaalsContact O-N 3.09Å; F358-R361 PolarHBondContact O-N 2.83Å; F358-R361 VanDerWaalsContact O-N 3.16Å; A359-R361 VanDerWaalsContact C-N 3.28Å; A359-R361 PolarHBondContact O-N 2.82Å; R361-K363 VanDerWaalsContact C-N 3.27Å; R361-K363 PolarHBondContact O-N 2.81Å; R361-N364 PolarHBondContact O-N 3.48Å; R361-N364 VanDerWaalsContact O-N 3.12Å; R361-E608 IonicContact NH1-OE1 2.7Å |
| 362 | A | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.7 | -36.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L11 V13 I304 M338 F358 A359 N364 I365 | L11-A362 HydrophobicContact CD2-CB 4.34Å; V13-A362 HydrophobicContact CG2-CB 4.09Å; I304-A362 HydrophobicContact CD1-CB 4.06Å; I304-A362 HydrophobicContact CG2-CB 4.17Å; M338-A362 HydrophobicContact SD-CB 3.66Å; F358-A362 PolarHBondContact O-N 3.31Å; A359-A362 PolarHBondContact O-N 2.81Å; A359-A362 VanDerWaalsContact O-N 3.17Å; A362-N364 PolarHBondContact O-N 2.9Å; A362-N364 VanDerWaalsContact O-N 3.08Å; A362-I365 VanDerWaalsContact O-CB 3.31Å; A362-I365 WeakPolarHBondContact O-CB 3.4Å; A362-I365 VanDerWaalsContact O-CG1 3.3Å; A362-I365 WeakPolarHBondContact O-CG1 3.35Å; A362-I365 PolarHBondContact O-N 2.99Å |
| 363 | K | 93.3 | Very high | 92 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19.5 | 179.7 | 83.4 | -173 | -173.2 | -173.2 | 0 | 114.3 | V13 T59 A359 N360 R361 I365 | V13-K363 HydrophobicContact CB-CB 4.08Å; V13-K363 HydrophobicContact CG2-CB 3.61Å; T59-K363 PolarHBondContact O-NZ 3.01Å; A359-K363 PolarHBondContact O-N 2.94Å; A359-K363 VanDerWaalsContact O-N 3.16Å; N360-K363 WeakPolarHBondContact O-CG 3.5Å; N360-K363 VanDerWaalsContact OD1-CE 3.23Å; N360-K363 WeakPolarHBondContact OD1-CE 3.45Å; N360-K363 PolarHBondContact OD1-NZ 2.89Å; R361-K363 VanDerWaalsContact C-N 3.27Å; R361-K363 PolarHBondContact O-N 2.81Å; K363-I365 VanDerWaalsContact C-N 3.35Å |
| 364 | N | 91.6 | Very high | 91 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.2 | 179.7 | -60.4 | -46 | 0 | 0 | 0 | 112.9 | A308 N360 R361 A362 | A308-N364 HydrophobicContact CB-CB 4.31Å; N360-N364 PolarHBondContact O-ND2 2.9Å; R361-N364 PolarHBondContact O-N 3.48Å; R361-N364 VanDerWaalsContact O-N 3.12Å; A362-N364 PolarHBondContact O-N 2.9Å; A362-N364 VanDerWaalsContact O-N 3.08Å |
| 365 | I | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -68.8 | 133.5 | 176.1 | -62 | 175.1 | 0 | 0 | 0 | 109 | A10 L11 I304 L307 L330 A362 K363 | A10-I365 CarbonylContact C-O 3.55Å; A10-I365 WeakPolarHBondContact CA-O 3.41Å; L11-I365 HydrophobicContact CB-CB 4.13Å; L11-I365 HydrophobicContact CD1-CB 4.41Å; L11-I365 HydrophobicContact CD1-CD1 4.34Å; L11-I365 PolarHBondContact N-O 3.36Å; I304-I365 HydrophobicContact CB-CD1 4.18Å; I304-I365 HydrophobicContact CD1-CD1 4.4Å; I304-I365 HydrophobicContact CG1-CD1 3.79Å; I304-I365 HydrophobicContact CG2-CD1 4.04Å; L307-I365 HydrophobicContact CB-CD1 4.29Å; L307-I365 HydrophobicContact CB-CG1 3.89Å; L307-I365 HydrophobicContact CB-CG2 4.46Å; L307-I365 HydrophobicContact CD1-CD1 4.12Å; L307-I365 HydrophobicContact CD1-CG1 4.41Å; L307-I365 HydrophobicContact CD1-CG2 4.1Å; L330-I365 HydrophobicContact CD2-CD1 4.32Å; A362-I365 VanDerWaalsContact O-CB 3.31Å; A362-I365 WeakPolarHBondContact O-CB 3.4Å; A362-I365 VanDerWaalsContact O-CG1 3.3Å; A362-I365 WeakPolarHBondContact O-CG1 3.35Å; A362-I365 PolarHBondContact O-N 2.99Å; K363-I365 VanDerWaalsContact C-N 3.35Å | ||
| 366 | K | 91.4 | Very high | 87.4 | Confident | 132 Ų | 132 | 57.1 Ų | 57.1 | 57% | 0.574 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.2 | 179.7 | -65.1 | -173.6 | -178.8 | -175.9 | 0 | 110.7 | ||
| 367 | N | 92.5 | Very high | 85.5 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 163.8 | 174.5 | -69.8 | 10.5 | 0 | 0 | 0 | 111.3 | S8 E9 S329 G331 A334 T336 P369 | S8-N367 CarbonylContact C-O 3.59Å; S8-N367 VanDerWaalsContact CA-O 3.31Å; S8-N367 WeakPolarHBondContact CA-O 3.33Å; E9-N367 PolarHBondContact N-O 2.88Å; E9-N367 PolarHBondContact O-N 3.15Å; S329-N367 PolarHBondContact O-ND2 2.96Å; G331-N367 VanDerWaalsContact CA-OD1 3.31Å; G331-N367 WeakPolarHBondContact CA-OD1 3.34Å; G331-N367 PolarHBondContact N-OD1 3.47Å; A334-N367 VanDerWaalsContact O-CB 3.26Å; A334-N367 WeakPolarHBondContact O-CB 3.44Å; A334-N367 PolarHBondContact O-ND2 3.43Å; T336-N367 PolarHBondContact OG1-ND2 2.93Å; N367-P369 VanDerWaalsContact C-CD 3.46Å |
| 368 | K | 91.8 | Very high | 83.8 | Confident | 130 Ų | 130 | 56.9 Ų | 56.9 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | trans | -128.3 | 68.1 | 176.2 | -66.5 | 175.1 | -172.9 | 159.6 | 0 | 109.7 | G332 N333 | G332-K368 PolarHBondContact O-N 3.1Å; N333-K368 PolarHBondContact OD1-O 2.97Å | ||
| 369 | P | 91.3 | Very high | 82 | Confident | 23 Ų | 23 | 61 Ų | 61 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | trans | -63.4 | 139.6 | -179.9 | 28.4 | -35.2 | 0 | 0 | 0 | 111.1 | E9 F89 N333 K335 N367 | E9-P369 HydrophobicContact CB-CG 4.12Å; E9-P369 WeakPolarHBondContact OE2-CG 3.11Å; F89-P369 HydrophobicContact CD1-CB 3.96Å; F89-P369 HydrophobicContact CE1-CB 4.31Å; N333-P369 WeakPolarHBondContact OD1-CA 3.31Å; K335-P369 HydrophobicContact CG-CB 3.56Å; K335-P369 HydrophobicContact CG-CG 3.8Å; N367-P369 VanDerWaalsContact C-CD 3.46Å | ||
| 370 | R | 89.8 | Confident | 80.1 | Confident | 135 Ų | 135 | 64 Ų | 64 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | trans | -136.3 | 152.1 | 177.1 | -59 | -178.2 | -176.5 | -171.7 | 2.7 | 108.5 | F89 N333 | F89-R370 VanDerWaalsContact CD1-O 3.29Å; F89-R370 WeakPolarHBondContact CD1-O 3.41Å; F89-R370 VanDerWaalsContact CE1-C 3.47Å; N333-R370 WeakPolarHBondContact OD1-CB 3.19Å; N333-R370 PolarHBondContact OD1-N 3.4Å; N333-R370 PolarHBondContact OD1-O 3.44Å | ||
| 371 | V | 90.4 | Very high | 78.6 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 130.6 | 169.5 | -170.7 | 0 | 0 | 0 | 0 | 107.5 | Q87 F89 R238 E373 | Q87-V371 WeakPolarHBondContact O-CG1 3.32Å; F89-V371 HydrophobicContact CD1-CG2 4.4Å; F89-V371 HydrophobicContact CD2-CG2 4.05Å; F89-V371 HydrophobicContact CE1-CG2 3.88Å; F89-V371 HydrophobicContact CE2-CG2 3.48Å; F89-V371 VanDerWaalsContact CE2-CG2 3.48Å; F89-V371 HydrophobicContact CG-CG2 4.49Å; F89-V371 HydrophobicContact CZ-CG2 3.38Å; R238-V371 HydrophobicContact CG-CG1 4.31Å; V371-E373 HydrophobicContact CB-CG 4.49Å; V371-E373 HydrophobicContact CG1-CG 3.86Å; V371-E373 WeakPolarHBondContact CG1-OE1 3.31Å; V371-E373 PolarHBondContact O-N 3.43Å |
| 372 | N | 87.4 | Confident | 77.2 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | trans | -87.1 | 94.9 | 173.2 | -42.9 | -60.6 | 0 | 0 | 0 | 108.2 | G88 N90 R238 V239 N333 | G88-N372 PolarHBondContact O-N 2.98Å; G88-N372 PolarHBondContact O-ND2 3.34Å; N90-N372 VanDerWaalsContact CG-ND2 3.34Å; N90-N372 PolarHBondContact ND2-ND2 3.46Å; N90-N372 PolarHBondContact OD1-ND2 3.02Å; R238-N372 WeakPolarHBondContact CA-O 3.33Å; V239-N372 PolarHBondContact N-O 2.67Å; V239-N372 WeakPolarHBondContact O-CB 3.32Å; V239-N372 PolarHBondContact O-ND2 3.03Å; N333-N372 PolarHBondContact ND2-OD1 3.36Å | ||
| 373 | E | 81.9 | Confident | 75.5 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 160.7 | 173.9 | -79 | 160.1 | -166.9 | 0 | 0 | 109.2 | R238 V371 T378 R381 | R238-E373 HydrophobicContact CG-CG 3.72Å; V371-E373 HydrophobicContact CB-CG 4.49Å; V371-E373 HydrophobicContact CG1-CG 3.86Å; V371-E373 WeakPolarHBondContact CG1-OE1 3.31Å; V371-E373 PolarHBondContact O-N 3.43Å; E373-T378 WeakPolarHBondContact CB-OG1 3.41Å; E373-R381 IonicContact OE1-NH2 3.63Å; E373-R381 IonicContact OE2-CZ 3.91Å; E373-R381 IonicContact OE2-NE 3.19Å; E373-R381 PolarHBondContact OE2-NE 3.33Å; E373-R381 IonicContact OE2-NH2 3.64Å; E373-R381 PolarHBondContact OE2-NH2 2.76Å |
| 374 | D | 70.2 | Confident | 73.8 | Confident | 62 Ų | 62 | 72.8 Ų | 72.8 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | trans | -53.9 | 133.1 | 169.8 | -169.4 | -46.3 | 0 | 0 | 0 | 109.1 | I237 K376 D377 T378 | I237-D374 PolarHBondContact O-N 2.65Å; D374-K376 PolarHBondContact O-N 3.47Å; D374-K376 VanDerWaalsContact O-N 3.11Å; D374-K376 WeakPolarHBondContact OD1-CB 3.45Å; D374-K376 PolarHBondContact OD1-N 3.17Å; D374-D377 HydrophobicContact CB-CB 4.35Å; D374-D377 PolarHBondContact O-N 3.47Å; D374-T378 PolarHBondContact O-N 2.72Å; D374-T378 PolarHBondContact O-OG1 2.87Å | ||
| 375 | P | 57.9 | Low | 72.6 | Confident | 98 Ų | 98 | 73.9 Ų | 73.9 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.1 | -29.3 | 178.1 | 19.1 | -32.7 | 0 | 0 | 0 | 113.4 | L379 | P375-L379 WeakPolarHBondContact O-CB 3.4Å; P375-L379 PolarHBondContact O-N 2.99Å; P375-L379 VanDerWaalsContact O-N 3.14Å |
| 376 | K | 54.1 | Low | 71.4 | Confident | 152 Ų | 152 | 76.4 Ų | 76.4 | 66% | 0.661 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.7 | -47.6 | 174.8 | -66.3 | 175.9 | -175.9 | 170.8 | 0 | 111.5 | D374 L379 L380 | D374-K376 PolarHBondContact O-N 3.47Å; D374-K376 VanDerWaalsContact O-N 3.11Å; D374-K376 WeakPolarHBondContact OD1-CB 3.45Å; D374-K376 PolarHBondContact OD1-N 3.17Å; K376-L379 PolarHBondContact O-N 2.97Å; K376-L380 WeakPolarHBondContact O-CB 3.49Å; K376-L380 WeakPolarHBondContact O-CD1 3.26Å; K376-L380 PolarHBondContact O-N 2.85Å |
| 377 | D | 55.2 | Low | 70.2 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 10% | 0.096 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.4 | -38.3 | -178.7 | -67.7 | -9.9 | 0 | 0 | 0 | 111.7 | H236 D374 L379 L380 R381 | H236-D377 IonicContact CE1-OD1 3.7Å; H236-D377 IonicContact CE1-OD2 2.8Å; H236-D377 IonicContact CG-OD2 2.67Å; H236-D377 IonicContact ND1-OD1 3.73Å; H236-D377 IonicContact ND1-OD2 3.69Å; H236-D377 PolarHBondContact ND1-OD2 3.13Å; D374-D377 HydrophobicContact CB-CB 4.35Å; D374-D377 PolarHBondContact O-N 3.47Å; D377-L379 VanDerWaalsContact C-N 3.33Å; D377-L379 PolarHBondContact O-N 3.49Å; D377-L380 PolarHBondContact O-N 3.04Å; D377-R381 WeakPolarHBondContact O-CB 3.29Å; D377-R381 PolarHBondContact O-N 3.08Å |
| 378 | T | 57.8 | Low | 69.1 | Low | 39 Ų | 39 | 74 Ų | 74 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.4 | -46 | 174.6 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | E373 D374 R381 E382 | E373-T378 WeakPolarHBondContact CB-OG1 3.41Å; D374-T378 PolarHBondContact O-N 2.72Å; D374-T378 PolarHBondContact O-OG1 2.87Å; T378-R381 PolarHBondContact O-N 3.38Å; T378-E382 WeakPolarHBondContact O-CG 3.49Å; T378-E382 PolarHBondContact O-N 3.19Å |
| 379 | L | 56.1 | Low | 68.2 | Low | 90 Ų | 90 | 74.2 Ų | 74.2 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.2 | -41.3 | -178.8 | -153.1 | 76.7 | 0 | 0 | 0 | 111.6 | P375 K376 D377 E382 F383 | P375-L379 WeakPolarHBondContact O-CB 3.4Å; P375-L379 PolarHBondContact O-N 2.99Å; P375-L379 VanDerWaalsContact O-N 3.14Å; K376-L379 PolarHBondContact O-N 2.97Å; D377-L379 VanDerWaalsContact C-N 3.33Å; D377-L379 PolarHBondContact O-N 3.49Å; L379-E382 PolarHBondContact O-N 2.9Å; L379-F383 HydrophobicContact CD1-CE2 4.45Å; L379-F383 HydrophobicContact CD1-CZ 4.34Å; L379-F383 HydrophobicContact CD2-CE2 3.64Å; L379-F383 HydrophobicContact CD2-CZ 4.1Å; L379-F383 HydrophobicContact CG-CD2 4.11Å; L379-F383 HydrophobicContact CG-CE2 3.53Å; L379-F383 HydrophobicContact CG-CZ 3.9Å; L379-F383 WeakPolarHBondContact O-CB 3.37Å; L379-F383 WeakPolarHBondContact O-CD2 3.36Å; L379-F383 VanDerWaalsContact O-CG 3.25Å; L379-F383 WeakPolarHBondContact O-CG 3.28Å; L379-F383 PolarHBondContact O-N 3.49Å |
| 380 | L | 56.2 | Low | 67 | Low | 63 Ų | 63 | 73.3 Ų | 73.3 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 173.6 | -90.4 | 151.4 | 0 | 0 | 0 | 111.6 | K376 D377 F383 Q384 | K376-L380 WeakPolarHBondContact O-CB 3.49Å; K376-L380 WeakPolarHBondContact O-CD1 3.26Å; K376-L380 PolarHBondContact O-N 2.85Å; D377-L380 PolarHBondContact O-N 3.04Å; L380-F383 PolarHBondContact O-N 2.9Å; L380-Q384 WeakPolarHBondContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CG 3.46Å; L380-Q384 PolarHBondContact O-N 3.35Å |
| 381 | R | 63 | Low | 65.9 | Low | 99 Ų | 99 | 71.1 Ų | 71.1 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.2 | -45.2 | 178.8 | -174.6 | 168.9 | 61.6 | 89.7 | -7 | 112.7 | E373 D377 T378 F383 Q384 E385 | E373-R381 IonicContact OE1-NH2 3.63Å; E373-R381 IonicContact OE2-CZ 3.91Å; E373-R381 IonicContact OE2-NE 3.19Å; E373-R381 PolarHBondContact OE2-NE 3.33Å; E373-R381 IonicContact OE2-NH2 3.64Å; E373-R381 PolarHBondContact OE2-NH2 2.76Å; D377-R381 WeakPolarHBondContact O-CB 3.29Å; D377-R381 PolarHBondContact O-N 3.08Å; T378-R381 PolarHBondContact O-N 3.38Å; R381-F383 VanDerWaalsContact C-N 3.26Å; R381-F383 PolarHBondContact O-N 3.31Å; R381-Q384 PolarHBondContact O-N 3.02Å; R381-E385 HydrophobicContact CG-CG 4.37Å; R381-E385 WeakPolarHBondContact CG-OE1 3.48Å; R381-E385 IonicContact NH1-OE1 3.21Å; R381-E385 PolarHBondContact NH1-OE1 3.24Å; R381-E385 WeakPolarHBondContact O-CB 3.5Å; R381-E385 WeakPolarHBondContact O-CG 3.33Å; R381-E385 PolarHBondContact O-N 3.43Å |
| 382 | E | 62.6 | Low | 65 | Low | 87 Ų | 87 | 71.2 Ų | 71.2 | 41% | 0.407 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 175.4 | -75.3 | -169 | 162.1 | 0 | 0 | 111.1 | K6 T378 L379 E386 | K6-E382 IonicContact NZ-OE1 3.77Å; K6-E382 PolarHBondContact NZ-OE1 3.1Å; T378-E382 WeakPolarHBondContact O-CG 3.49Å; T378-E382 PolarHBondContact O-N 3.19Å; L379-E382 PolarHBondContact O-N 2.9Å; E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 PolarHBondContact O-N 3.36Å; E382-E386 VanDerWaalsContact O-N 3.1Å |
| 383 | F | 59.5 | Low | 64.1 | Low | 75 Ų | 75 | 72.7 Ų | 72.7 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 174.3 | -70 | -33.6 | 0 | 0 | 0 | 113.1 | L379 L380 R381 E386 I387 | L379-F383 HydrophobicContact CD1-CE2 4.45Å; L379-F383 HydrophobicContact CD1-CZ 4.34Å; L379-F383 HydrophobicContact CD2-CE2 3.64Å; L379-F383 HydrophobicContact CD2-CZ 4.1Å; L379-F383 HydrophobicContact CG-CD2 4.11Å; L379-F383 HydrophobicContact CG-CE2 3.53Å; L379-F383 HydrophobicContact CG-CZ 3.9Å; L379-F383 WeakPolarHBondContact O-CB 3.37Å; L379-F383 WeakPolarHBondContact O-CD2 3.36Å; L379-F383 VanDerWaalsContact O-CG 3.25Å; L379-F383 WeakPolarHBondContact O-CG 3.28Å; L379-F383 PolarHBondContact O-N 3.49Å; L380-F383 PolarHBondContact O-N 2.9Å; R381-F383 VanDerWaalsContact C-N 3.26Å; R381-F383 PolarHBondContact O-N 3.31Å; F383-E386 PolarHBondContact O-N 2.96Å; F383-I387 WeakPolarHBondContact O-CB 3.01Å; F383-I387 WeakPolarHBondContact O-CD1 3.31Å; F383-I387 WeakPolarHBondContact O-CG1 3.49Å; F383-I387 PolarHBondContact O-N 3.13Å |
| 384 | Q | 57.2 | Low | 63.3 | Low | 109 Ų | 109 | 71.3 Ų | 71.3 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.1 | -75.2 | 173.4 | 5.7 | 0 | 0 | 112.1 | L380 R381 I387 A388 | L380-Q384 WeakPolarHBondContact O-CB 3.3Å; L380-Q384 WeakPolarHBondContact O-CG 3.46Å; L380-Q384 PolarHBondContact O-N 3.35Å; R381-Q384 PolarHBondContact O-N 3.02Å; Q384-I387 PolarHBondContact O-N 3.49Å; Q384-A388 WeakPolarHBondContact O-CB 3.42Å; Q384-A388 PolarHBondContact O-N 3.47Å |
| 385 | E | 66.6 | Low | 63 | Low | 107 Ų | 107 | 74 Ų | 74 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 176.7 | -75.5 | 179.7 | -161.5 | 0 | 0 | 111.6 | R381 A388 R389 | R381-E385 HydrophobicContact CG-CG 4.37Å; R381-E385 WeakPolarHBondContact CG-OE1 3.48Å; R381-E385 IonicContact NH1-OE1 3.21Å; R381-E385 PolarHBondContact NH1-OE1 3.24Å; R381-E385 WeakPolarHBondContact O-CB 3.5Å; R381-E385 WeakPolarHBondContact O-CG 3.33Å; R381-E385 PolarHBondContact O-N 3.43Å; E385-A388 PolarHBondContact O-N 2.92Å; E385-R389 WeakPolarHBondContact O-CB 3.38Å; E385-R389 PolarHBondContact O-N 3.01Å |
| 386 | E | 66.1 | Low | 63.3 | Low | 53 Ų | 53 | 77.2 Ų | 77.2 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | 177.6 | -172.6 | 71.7 | 177.6 | 0 | 0 | 111.5 | E382 F383 R389 L390 K513 M517 | E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 PolarHBondContact O-N 3.36Å; E382-E386 VanDerWaalsContact O-N 3.1Å; F383-E386 PolarHBondContact O-N 2.96Å; E386-R389 PolarHBondContact O-N 3.11Å; E386-R389 WeakPolarHBondContact OE2-CD 3.36Å; E386-R389 IonicContact OE2-NH1 2.83Å; E386-R389 PolarHBondContact OE2-NH1 3.16Å; E386-L390 HydrophobicContact CG-CD1 4.36Å; E386-L390 WeakPolarHBondContact O-CB 3.31Å; E386-L390 VanDerWaalsContact O-CG 3.3Å; E386-L390 WeakPolarHBondContact O-CG 3.45Å; E386-L390 PolarHBondContact O-N 3.07Å; E386-K513 IonicContact OE1-NZ 3.24Å; E386-K513 PolarHBondContact OE1-NZ 3.02Å; E386-M517 HydrophobicContact CG-CE 3.86Å; E386-M517 HydrophobicContact CG-SD 4.39Å |
| 387 | I | 66.8 | Low | 63.6 | Low | 27 Ų | 27 | 75.3 Ų | 75.3 | 14% | 0.138 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 171.5 | -73.2 | 166 | 0 | 0 | 0 | 110.5 | F383 Q384 R389 L390 K391 Y514 L521 | F383-I387 WeakPolarHBondContact O-CB 3.01Å; F383-I387 WeakPolarHBondContact O-CD1 3.31Å; F383-I387 WeakPolarHBondContact O-CG1 3.49Å; F383-I387 PolarHBondContact O-N 3.13Å; Q384-I387 PolarHBondContact O-N 3.49Å; I387-R389 VanDerWaalsContact C-N 3.3Å; I387-R389 PolarHBondContact O-N 3.24Å; I387-L390 PolarHBondContact O-N 3.17Å; I387-K391 HydrophobicContact CG2-CD 4.04Å; I387-K391 HydrophobicContact CG2-CG 4.37Å; I387-K391 WeakPolarHBondContact O-CB 3.21Å; I387-K391 VanDerWaalsContact O-CG 3.31Å; I387-K391 WeakPolarHBondContact O-CG 3.38Å; I387-K391 PolarHBondContact O-N 3.38Å; I387-Y514 HydrophobicContact CG2-CE2 4.25Å; I387-L521 HydrophobicContact CD1-CD1 3.29Å |
| 388 | A | 68.4 | Low | 63.5 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q384 E385 K391 A392 | Q384-A388 WeakPolarHBondContact O-CB 3.42Å; Q384-A388 PolarHBondContact O-N 3.47Å; E385-A388 PolarHBondContact O-N 2.92Å; A388-K391 PolarHBondContact O-N 2.81Å; A388-A392 WeakPolarHBondContact O-CB 3.46Å; A388-A392 PolarHBondContact O-N 2.96Å |
| 389 | R | 73.2 | Confident | 63.3 | Low | 136 Ų | 136 | 78.1 Ų | 78.1 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.7 | -175.4 | -172.2 | -179.2 | -174.9 | 2.2 | 112.3 | E385 E386 I387 A392 Q393 | E385-R389 WeakPolarHBondContact O-CB 3.38Å; E385-R389 PolarHBondContact O-N 3.01Å; E386-R389 PolarHBondContact O-N 3.11Å; E386-R389 WeakPolarHBondContact OE2-CD 3.36Å; E386-R389 IonicContact OE2-NH1 2.83Å; E386-R389 PolarHBondContact OE2-NH1 3.16Å; I387-R389 VanDerWaalsContact C-N 3.3Å; I387-R389 PolarHBondContact O-N 3.24Å; R389-A392 PolarHBondContact O-N 3.35Å; R389-Q393 WeakPolarHBondContact O-CG 3.37Å; R389-Q393 PolarHBondContact O-N 3.46Å |
| 390 | L | 67.1 | Low | 62.9 | Low | 3 Ų | 3 | 78.5 Ų | 78.5 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67 | -41 | 178.2 | -71.4 | 175.7 | 0 | 0 | 0 | 111.3 | E386 I387 A392 Q393 L394 L510 M517 | E386-L390 HydrophobicContact CG-CD1 4.36Å; E386-L390 WeakPolarHBondContact O-CB 3.31Å; E386-L390 VanDerWaalsContact O-CG 3.3Å; E386-L390 WeakPolarHBondContact O-CG 3.45Å; E386-L390 PolarHBondContact O-N 3.07Å; I387-L390 PolarHBondContact O-N 3.17Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.45Å; L390-Q393 PolarHBondContact O-N 3.2Å; L390-Q393 VanDerWaalsContact O-N 3.17Å; L390-L394 WeakPolarHBondContact O-CG 3.4Å; L390-L394 PolarHBondContact O-N 2.91Å; L390-L510 HydrophobicContact CD2-CD1 4.14Å; L390-L510 HydrophobicContact CD2-CD2 4.34Å; L390-L510 HydrophobicContact CD2-CG 4.04Å; L390-M517 HydrophobicContact CD1-CE 3.15Å; L390-M517 HydrophobicContact CG-CE 4.45Å |
| 391 | K | 66.3 | Low | 62.3 | Low | 90 Ų | 90 | 78.6 Ų | 78.6 | 39% | 0.391 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 172 | -76.8 | -177.2 | 178.1 | -173.2 | 0 | 111.5 | I387 A388 Q393 L394 E395 Y514 | I387-K391 HydrophobicContact CG2-CD 4.04Å; I387-K391 HydrophobicContact CG2-CG 4.37Å; I387-K391 WeakPolarHBondContact O-CB 3.21Å; I387-K391 VanDerWaalsContact O-CG 3.31Å; I387-K391 WeakPolarHBondContact O-CG 3.38Å; I387-K391 PolarHBondContact O-N 3.38Å; A388-K391 PolarHBondContact O-N 2.81Å; K391-Q393 VanDerWaalsContact C-N 3.32Å; K391-Q393 PolarHBondContact O-N 2.57Å; K391-L394 PolarHBondContact O-N 2.92Å; K391-E395 PolarHBondContact O-N 2.85Å; K391-Y514 HydrophobicContact CD-CE2 4.36Å; K391-Y514 WeakPolarHBondContact CE-OH 3.42Å; K391-Y514 HydrophobicContact CG-CE2 3.8Å |
| 392 | A | 71.1 | Confident | 61.3 | Low | 42 Ų | 42 | 83.8 Ų | 83.8 | 35% | 0.347 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.4 | -32.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | A388 R389 L390 K396 | A388-A392 WeakPolarHBondContact O-CB 3.46Å; A388-A392 PolarHBondContact O-N 2.96Å; R389-A392 PolarHBondContact O-N 3.35Å; L390-A392 VanDerWaalsContact C-N 3.34Å; L390-A392 PolarHBondContact O-N 3.45Å; A392-K396 WeakPolarHBondContact O-CB 3.36Å; A392-K396 WeakPolarHBondContact O-CG 3.27Å; A392-K396 PolarHBondContact O-N 2.85Å |
| 393 | Q | 68.8 | Low | 59.9 | Low | 74 Ų | 74 | 90.9 Ų | 90.9 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.6 | -37.7 | 173.2 | -76.5 | -178.5 | -8 | 0 | 0 | 112.2 | R389 L390 K391 R397 L510 | R389-Q393 WeakPolarHBondContact O-CG 3.37Å; R389-Q393 PolarHBondContact O-N 3.46Å; L390-Q393 PolarHBondContact O-N 3.2Å; L390-Q393 VanDerWaalsContact O-N 3.17Å; K391-Q393 VanDerWaalsContact C-N 3.32Å; K391-Q393 PolarHBondContact O-N 2.57Å; Q393-R397 PolarHBondContact O-N 2.94Å; Q393-L510 HydrophobicContact CB-CD2 3.93Å |
| 394 | L | 64.5 | Low | 58.8 | Low | 17 Ų | 17 | 92.9 Ų | 92.9 | 9% | 0.089 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 174.1 | -69.5 | 169.4 | 0 | 0 | 0 | 111.8 | L390 K391 R397 G398 M399 L510 Y514 | L390-L394 WeakPolarHBondContact O-CG 3.4Å; L390-L394 PolarHBondContact O-N 2.91Å; K391-L394 PolarHBondContact O-N 2.92Å; L394-R397 PolarHBondContact O-N 3.03Å; L394-G398 PolarHBondContact O-N 2.76Å; L394-M399 HydrophobicContact CD2-SD 4.46Å; L394-M399 PolarHBondContact O-N 2.84Å; L394-M399 VanDerWaalsContact O-N 3.13Å; L394-L510 HydrophobicContact CD2-CB 4.43Å; L394-L510 HydrophobicContact CD2-CD2 3.87Å; L394-L510 HydrophobicContact CG-CD2 4.02Å; L394-Y514 HydrophobicContact CD1-CD2 4.49Å; L394-Y514 HydrophobicContact CD1-CG 4.42Å |
| 395 | E | 65.3 | Low | 57.7 | Low | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 173.4 | -83.5 | -179.9 | 174.3 | 0 | 0 | 112.2 | K391 R397 G398 L400 | K391-E395 PolarHBondContact O-N 2.85Å; E395-R397 PolarHBondContact O-N 3.19Å; E395-G398 PolarHBondContact O-N 3.04Å; E395-L400 HydrophobicContact CG-CB 3.57Å; E395-L400 HydrophobicContact CG-CD1 3.69Å; E395-L400 HydrophobicContact CG-CG 4.28Å |
| 396 | K | 63.6 | Low | 56.1 | Low | 164 Ų | 164 | 105.5 Ų | 105.5 | 71% | 0.713 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -27.4 | 177.1 | -83.1 | -176.5 | 177.8 | -179.1 | 0 | 113.5 | A392 | A392-K396 WeakPolarHBondContact O-CB 3.36Å; A392-K396 WeakPolarHBondContact O-CG 3.27Å; A392-K396 PolarHBondContact O-N 2.85Å |
| 397 | R | 60.8 | Low | 54.7 | Low | 112 Ų | 112 | 112.8 Ų | 112.8 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 11.7 | 173 | -75.1 | -174.2 | 169.2 | -166.2 | -6 | 113.3 | Q393 L394 E395 M399 | Q393-R397 PolarHBondContact O-N 2.94Å; L394-R397 PolarHBondContact O-N 3.03Å; E395-R397 PolarHBondContact O-N 3.19Å; R397-M399 VanDerWaalsContact C-N 3.33Å; R397-M399 PolarHBondContact O-N 3.16Å |
| 398 | G | 52.6 | Low | 53 | Low | 46 Ų | 46 | 116.4 Ų | 116.4 | 47% | 0.474 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 80.3 | 5.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L394 E395 L400 | L394-G398 PolarHBondContact O-N 2.76Å; E395-G398 PolarHBondContact O-N 3.04Å; G398-L400 VanDerWaalsContact C-N 3.29Å; G398-L400 PolarHBondContact O-N 2.97Å |
| 399 | M | 54.6 | Low | 51.8 | Low | 70 Ų | 70 | 119.5 Ų | 119.5 | 35% | 0.345 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -6.1 | -175.2 | -71.9 | -157 | 163.1 | 0 | 0 | 114.8 | L394 R397 T507 | L394-M399 HydrophobicContact CD2-SD 4.46Å; L394-M399 PolarHBondContact O-N 2.84Å; L394-M399 VanDerWaalsContact O-N 3.13Å; R397-M399 VanDerWaalsContact C-N 3.33Å; R397-M399 PolarHBondContact O-N 3.16Å; M399-T507 HydrophobicContact CE-CG2 4.07Å |
| 400 | L | 47.3 | Very low | 49.9 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127 | 25.9 | -178.6 | -85.8 | 160.7 | 0 | 0 | 0 | 113.6 | E395 G398 K402 | E395-L400 HydrophobicContact CG-CB 3.57Å; E395-L400 HydrophobicContact CG-CD1 3.69Å; E395-L400 HydrophobicContact CG-CG 4.28Å; G398-L400 VanDerWaalsContact C-N 3.29Å; G398-L400 PolarHBondContact O-N 2.97Å; L400-K402 PolarHBondContact O-N 2.96Å |
| 401 | G | 43.3 | Very low | 48.4 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 64% | 0.642 | S | S | * | * | trans | -67.8 | 114.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R403 | G401-R403 PolarHBondContact O-N 3.46Š| ||
| 402 | K | 41.6 | Very low | 46.7 | Very low | 207 Ų | 207 | 140.9 Ų | 140.9 | 90% | 0.9 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 127.1 | 168.8 | -72 | 178.1 | 177.9 | 175.2 | 0 | 110.6 | L400 | L400-K402 PolarHBondContact O-N 2.96Š|
| 403 | R | 33.3 | Very low | 44.7 | Very low | 236 Ų | 236 | 148.8 Ų | 148.8 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 131.8 | 179.3 | -65.8 | 173.7 | 116.2 | -178.3 | 3.1 | 112.3 | G401 R405 | G401-R403 PolarHBondContact O-N 3.46Å; R403-R405 PolarHBondContact O-N 2.89Å |
| 404 | P | 36 | Very low | 43 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 77% | 0.766 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 121.2 | 164.1 | 27.4 | -26.4 | 0 | 0 | 0 | 108.9 | R406 | P404-R406 PolarHBondContact O-N 3Š|
| 405 | R | 34.5 | Very low | 41.3 | Very low | 245 Ų | 245 | 155.8 Ų | 155.8 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -62.8 | 102.2 | 172.3 | -69.6 | -177.8 | 85.1 | 138.6 | 0.8 | 108.8 | R403 K407 | R403-R405 PolarHBondContact O-N 2.89Å; R405-K407 PolarHBondContact O-N 3.16Å; R405-K407 VanDerWaalsContact O-N 3.16Å | ||
| 406 | R | 33.8 | Very low | 39.5 | Very low | 236 Ų | 236 | 155.2 Ų | 155.2 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -62.5 | 113 | 168.6 | -81.6 | 176.4 | 69.2 | 139 | -2.8 | 109 | P404 S408 | P404-R406 PolarHBondContact O-N 3Å; R406-S408 PolarHBondContact O-N 2.8Å; R406-S408 VanDerWaalsContact O-N 3.1Å | ||
| 407 | K | 35.6 | Very low | 37.9 | Very low | 206 Ų | 206 | 152 Ų | 152 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | -62.2 | 106.5 | 161.4 | -73.2 | -177.8 | 177.5 | 178.7 | 0 | 107.6 | R405 S409 | R405-K407 PolarHBondContact O-N 3.16Å; R405-K407 VanDerWaalsContact O-N 3.16Å; K407-S409 PolarHBondContact O-N 2.95Å | ||
| 408 | S | 31.8 | Very low | 36.6 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -79.7 | 102.1 | 171 | 173.5 | 0 | 0 | 0 | 0 | 108.8 | R406 R410 | R406-S408 PolarHBondContact O-N 2.8Å; R406-S408 VanDerWaalsContact O-N 3.1Å; S408-R410 PolarHBondContact O-N 3.09Å; S408-R410 VanDerWaalsContact O-N 3.1Å | ||
| 409 | S | 42.9 | Very low | 35.8 | Very low | 120 Ų | 120 | 156.6 Ų | 156.6 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -67.8 | 91.6 | 163.3 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | K407 | K407-S409 PolarHBondContact O-N 2.95Š| ||
| 410 | R | 33.3 | Very low | 34.6 | Very low | 227 Ų | 227 | 156.3 Ų | 156.3 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -99.2 | 97.6 | 171.8 | -156.1 | 169.4 | 171.5 | 158.9 | -3.5 | 110.1 | S408 K412 | S408-R410 PolarHBondContact O-N 3.09Å; S408-R410 VanDerWaalsContact O-N 3.1Å; R410-K412 PolarHBondContact O-N 2.84Å | ||
| 411 | R | 34.8 | Very low | 33.8 | Very low | 245 Ų | 245 | 162.9 Ų | 162.9 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | trans | -47.8 | 109.3 | 165.9 | -166.8 | 169.5 | 165.1 | 165.6 | -4.8 | 109.5 | K413 | R411-K413 PolarHBondContact O-N 2.74Š| ||
| 412 | K | 32.1 | Very low | 33.4 | Very low | 207 Ų | 207 | 164.5 Ų | 164.5 | 90% | 0.9 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 120.4 | 173.2 | -83.7 | -177.5 | 175.4 | 177.6 | 0 | 109 | R410 | R410-K412 PolarHBondContact O-N 2.84Š|
| 413 | K | 28.8 | Very low | 32.9 | Very low | 207 Ų | 207 | 164 Ų | 164 | 90% | 0.9 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 123.2 | 163.4 | -157.3 | 176.6 | -175.7 | -177.2 | 0 | 106.6 | R411 | R411-K413 PolarHBondContact O-N 2.74Š|
| 414 | A | 32 | Very low | 32.6 | Very low | 97 Ų | 97 | 156.1 Ų | 156.1 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 136.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 415 | V | 29 | Very low | 32.6 | Very low | 141 Ų | 141 | 156.4 Ų | 156.4 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | trans | -140.1 | 137.8 | 148.1 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 416 | S | 28.1 | Very low | 32.3 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -51.6 | 143.5 | -167.8 | 48.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 417 | A | 30.3 | Very low | 32 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -104.9 | 147.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 418 | P | 33 | Very low | 31.8 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -102.5 | 167.1 | 159.8 | 38.3 | -27.9 | 0 | 0 | 0 | 110.4 | ||||
| 419 | P | 36.9 | Very low | 31.4 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | -123.6 | 169.1 | -112.6 | 30 | -9.6 | 0 | 0 | 0 | 114.7 | |||||
| 420 | G | 28.4 | Very low | 30.8 | Very low | 64 Ų | 64 | 151.4 Ų | 151.4 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | trans | 141.2 | 109.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 421 | Y | 29.9 | Very low | 30.3 | Very low | 235 Ų | 235 | 146.8 Ų | 146.8 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | trans | 102.8 | 141.1 | 156.1 | -68.2 | -88.3 | 0 | 0 | 0 | 119.8 | ||||
| 422 | P | 36.2 | Very low | 30.3 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 66% | 0.656 | 81% | 0.812 | S | S | * | * | trans | -111.2 | 165.6 | -134.3 | 41.7 | -35.9 | 0 | 0 | 0 | 115.8 | ||||
| 423 | E | 29.6 | Very low | 30 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 36.8 | 115 | 144.2 | -64.5 | 178.4 | 166.9 | 0 | 0 | 119 | ||||
| 424 | G | 27.3 | Very low | 30.4 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | 146.4 | 172.2 | 90 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 425 | P | 36.4 | Very low | 30.2 | Very low | 124 Ų | 124 | 142.2 Ų | 142.2 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | -108.2 | 152.6 | -111.8 | 36.8 | -34.9 | 0 | 0 | 0 | 117.5 | |||||
| 426 | V | 28.3 | Very low | 30.5 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | 20.8 | 117 | 137.1 | -170.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 427 | I | 27.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 144.6 Ų | 144.6 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -141.2 | 123.6 | 130.5 | -60.3 | -173.2 | 0 | 0 | 0 | 108.5 | ||||
| 428 | E | 30.5 | Very low | 31 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -69.5 | 136.1 | 173.8 | -67.4 | 175.7 | 145 | 0 | 0 | 111.4 | ||||
| 429 | A | 24.2 | Very low | 31 | Very low | 97 Ų | 97 | 149.2 Ų | 149.2 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -146 | 121.3 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 430 | W | 29.1 | Very low | 30.9 | Very low | 244 Ų | 244 | 149 Ų | 149 | 92% | 0.924 | 81% | 0.809 | S | S | * | * | trans | -79.5 | 122.9 | 168.6 | -71.5 | 22.5 | 0 | 0 | 0 | 109.6 | ||||
| 431 | V | 24.6 | Very low | 31.6 | Very low | 131 Ų | 131 | 153 Ų | 153 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -158.7 | 100.6 | 148.8 | -170.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 432 | A | 33.3 | Very low | 32 | Very low | 92 Ų | 92 | 149.3 Ų | 149.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | 52.2 | 99.2 | 95.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 433 | E | 25.6 | Very low | 31.9 | Very low | 188 Ų | 188 | 154 Ų | 154 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -131.7 | 120.3 | 149.6 | -75.4 | -164.6 | 163.3 | 0 | 0 | 109 | ||||
| 434 | E | 37.1 | Very low | 31.9 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -67.6 | 139 | 158.8 | -63.2 | 173 | 146.3 | 0 | 0 | 108.4 | ||||
| 435 | E | 29 | Very low | 32.3 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -141.3 | 117 | 146.4 | -80.5 | -166.3 | 154.8 | 0 | 0 | 109.1 | ||||
| 436 | D | 34.7 | Very low | 32.5 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -61 | 137.9 | 160.4 | -97.5 | -39.5 | 0 | 0 | 0 | 109.9 | ||||
| 437 | D | 32.7 | Very low | 33.1 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | 177.3 | 131.4 | 111.9 | -99.9 | -30.7 | 0 | 0 | 0 | 113.2 | |||||
| 438 | N | 35.8 | Very low | 33.7 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 61.9 | 94.1 | 135 | -154.4 | 7.2 | 0 | 0 | 0 | 119.1 | ||||
| 439 | I | 33.3 | Very low | 34.2 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -126.8 | 109.8 | 160.3 | -65.6 | -179.2 | 0 | 0 | 0 | 112 | ||||
| 440 | N | 34.2 | Very low | 35.1 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | trans | -36.2 | 149.6 | 159.6 | -163.6 | 6.8 | 0 | 0 | 0 | 115.1 | N442 | N440-N442 PolarHBondContact O-N 3.32Å; N440-N442 VanDerWaalsContact O-N 3.15Å | ||
| 441 | N | 43.5 | Very low | 36 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -42.3 | 107.7 | 176.5 | -68.6 | -55.5 | 0 | 0 | 0 | 114.6 | ||
| 442 | N | 39 | Very low | 37 | Very low | 156 Ų | 156 | 133.6 Ų | 133.6 | 83% | 0.834 | 71% | 0.707 | S | S | * | * | trans | -175.8 | 82.7 | 131.3 | -112.6 | -7.1 | 0 | 0 | 0 | 109.8 | N440 P444 | N440-N442 PolarHBondContact O-N 3.32Å; N440-N442 VanDerWaalsContact O-N 3.15Å; N442-P444 WeakPolarHBondContact O-CD 3.3Å | ||
| 443 | R | 34.4 | Very low | 37.6 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 76% | 0.758 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 118.1 | 159.9 | -160.9 | 179.6 | -141.8 | -142.3 | 5.5 | 106.7 | Q446 | R443-Q446 VanDerWaalsContact NH1-NE2 3.13Š|
| 444 | P | 30 | Very low | 38.8 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 144.7 | 170.7 | 25.9 | -30.9 | 0 | 0 | 0 | 108.2 | N442 | N442-P444 WeakPolarHBondContact O-CD 3.3Š|
| 445 | P | 34.8 | Very low | 39.7 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.6 | -174.8 | 25.6 | -32.9 | 0 | 0 | 0 | 109.6 | P447 | P445-P447 HydrophobicContact CB-CG 4.28Å; P445-P447 WeakPolarHBondContact O-CD 3.27Å |
| 446 | Q | 41.1 | Very low | 40.8 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 67% | 0.673 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -6.9 | -178.4 | -73.3 | -173.8 | -43.4 | 0 | 0 | 117.9 | R443 I448 | R443-Q446 VanDerWaalsContact NH1-NE2 3.13Å; Q446-I448 PolarHBondContact O-N 3.41Å; Q446-I448 VanDerWaalsContact O-N 3.15Å |
| 447 | P | 40.5 | Very low | 41.7 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.7 | -5.1 | -172 | 30.1 | -31.3 | 0 | 0 | 0 | 114.4 | P445 | P445-P447 HydrophobicContact CB-CG 4.28Å; P445-P447 WeakPolarHBondContact O-CD 3.27Å |
| 448 | I | 40.8 | Very low | 42.8 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.4 | -31.6 | -175.6 | -55.2 | 175.3 | 0 | 0 | 0 | 111.9 | Q446 | Q446-I448 PolarHBondContact O-N 3.41Å; Q446-I448 VanDerWaalsContact O-N 3.15Å |
| 449 | L | 40 | Very low | 44.1 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.4 | -31.1 | -176.7 | -167.9 | 64.5 | 0 | 0 | 0 | 112.6 | L453 | L449-L453 PolarHBondContact O-N 3.49Å |
| 450 | E | 44.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.5 | -42.1 | -179.5 | -158.3 | 157 | -150.9 | 0 | 0 | 111.3 | A452 L453 E454 | E450-A452 VanDerWaalsContact C-N 3.28Å; E450-A452 PolarHBondContact O-N 3.44Å; E450-L453 PolarHBondContact O-N 3.42Å; E450-L453 VanDerWaalsContact O-N 3.1Å; E450-E454 PolarHBondContact O-N 3.46Å |
| 451 | S | 46.7 | Very low | 46.7 | Very low | 51 Ų | 51 | 111.4 Ų | 111.4 | 36% | 0.357 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.8 | -33.7 | 174.2 | 174 | 0 | 0 | 0 | 0 | 113.7 | K455 | S451-K455 PolarHBondContact O-N 3.01Å |
| 452 | A | 45.4 | Very low | 47.8 | Very low | 50 Ų | 50 | 110.4 Ų | 110.4 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -75.8 | -24.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | E450 N456 | E450-A452 VanDerWaalsContact C-N 3.28Å; E450-A452 PolarHBondContact O-N 3.44Å; A452-N456 PolarHBondContact O-N 3.48Å; A452-N456 PolarHBondContact O-ND2 2.84Å |
| 453 | L | 46.6 | Very low | 49.4 | Very low | 118 Ų | 118 | 107.5 Ų | 107.5 | 62% | 0.618 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -79.3 | -40.2 | 174.3 | -95.1 | 144.9 | 0 | 0 | 0 | 111.4 | L449 E450 N456 M457 | L449-L453 PolarHBondContact O-N 3.49Å; E450-L453 PolarHBondContact O-N 3.42Å; E450-L453 VanDerWaalsContact O-N 3.1Å; L453-N456 PolarHBondContact O-N 3.3Å; L453-M457 PolarHBondContact O-N 2.85Å; L453-M457 VanDerWaalsContact O-N 3.16Å |
| 454 | E | 51.9 | Low | 50.9 | Low | 116 Ų | 116 | 100.8 Ų | 100.8 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 173.5 | -71.3 | 176.5 | 160.6 | 0 | 0 | 111.6 | E450 N456 M457 E458 | E450-E454 PolarHBondContact O-N 3.46Å; E454-N456 VanDerWaalsContact C-N 3.31Å; E454-N456 PolarHBondContact O-N 3.25Å; E454-M457 PolarHBondContact O-N 3.48Å; E454-M457 VanDerWaalsContact O-N 3.12Å; E454-E458 PolarHBondContact O-N 2.98Å |
| 455 | K | 54.9 | Low | 52.8 | Low | 129 Ų | 129 | 99.7 Ų | 99.7 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -36.3 | 178 | -80.2 | -178.2 | 175.1 | 179.3 | 0 | 113.8 | S451 M457 N459 | S451-K455 PolarHBondContact O-N 3.01Å; K455-M457 VanDerWaalsContact C-N 3.33Å; K455-N459 PolarHBondContact O-N 3.45Å; K455-N459 PolarHBondContact O-ND2 3.27Å; K455-N459 VanDerWaalsContact O-ND2 3.14Å |
| 456 | N | 52.4 | Low | 54.7 | Low | 112 Ų | 112 | 100.5 Ų | 100.5 | 60% | 0.599 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73 | -27.6 | 178.5 | -83.9 | -28.6 | 0 | 0 | 0 | 112.7 | A452 L453 E454 Y460 | A452-N456 PolarHBondContact O-N 3.48Å; A452-N456 PolarHBondContact O-ND2 2.84Å; L453-N456 PolarHBondContact O-N 3.3Å; E454-N456 VanDerWaalsContact C-N 3.31Å; E454-N456 PolarHBondContact O-N 3.25Å; N456-Y460 PolarHBondContact O-N 2.92Å |
| 457 | M | 52.9 | Low | 56.3 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 36% | 0.355 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.3 | -40.8 | 177 | -171.9 | 65.6 | 75.2 | 0 | 0 | 111.7 | L453 E454 K455 N459 Y460 L461 | L453-M457 PolarHBondContact O-N 2.85Å; L453-M457 VanDerWaalsContact O-N 3.16Å; E454-M457 PolarHBondContact O-N 3.48Å; E454-M457 VanDerWaalsContact O-N 3.12Å; K455-M457 VanDerWaalsContact C-N 3.33Å; M457-N459 VanDerWaalsContact C-N 3.29Å; M457-N459 PolarHBondContact O-N 3.42Å; M457-Y460 PolarHBondContact O-N 2.81Å; M457-L461 HydrophobicContact CG-CD1 4.2Å; M457-L461 PolarHBondContact O-N 3.4Å |
| 458 | E | 57.3 | Low | 57.8 | Low | 124 Ų | 124 | 95.6 Ų | 95.6 | 58% | 0.579 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.3 | -45.4 | 171.3 | -80.1 | 176.4 | 154 | 0 | 0 | 111.1 | E454 Y460 L461 Q462 | E454-E458 PolarHBondContact O-N 2.98Å; E458-Y460 VanDerWaalsContact C-N 3.33Å; E458-Y460 PolarHBondContact O-N 2.85Å; E458-L461 PolarHBondContact O-N 2.87Å; E458-Q462 VanDerWaalsContact O-CB 3.31Å; E458-Q462 WeakPolarHBondContact O-CB 3.38Å; E458-Q462 PolarHBondContact O-N 3.43Å |
| 459 | N | 61.4 | Low | 59.3 | Low | 92 Ų | 92 | 94 Ų | 94 | 49% | 0.492 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 177 | -68.6 | -20.2 | 0 | 0 | 0 | 112.7 | K455 M457 Q462 E463 | K455-N459 PolarHBondContact O-N 3.45Å; K455-N459 PolarHBondContact O-ND2 3.27Å; K455-N459 VanDerWaalsContact O-ND2 3.14Å; M457-N459 VanDerWaalsContact C-N 3.29Å; M457-N459 PolarHBondContact O-N 3.42Å; N459-Q462 PolarHBondContact O-N 3.4Å; N459-E463 WeakPolarHBondContact O-CB 3.23Å; N459-E463 PolarHBondContact O-N 2.8Å |
| 460 | Y | 66.2 | Low | 61.1 | Low | 130 Ų | 130 | 93.5 Ų | 93.5 | 51% | 0.51 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 178.8 | 179.4 | -102.8 | 0 | 0 | 0 | 112.6 | N456 M457 E458 Q462 E463 Q464 | N456-Y460 PolarHBondContact O-N 2.92Å; M457-Y460 PolarHBondContact O-N 2.81Å; E458-Y460 VanDerWaalsContact C-N 3.33Å; E458-Y460 PolarHBondContact O-N 2.85Å; Y460-Q462 VanDerWaalsContact C-N 3.31Å; Y460-Q462 PolarHBondContact O-N 3.08Å; Y460-E463 PolarHBondContact O-N 3Å; Y460-Q464 HydrophobicContact CE1-CG 4.21Å; Y460-Q464 WeakPolarHBondContact O-CG 3.49Å; Y460-Q464 PolarHBondContact O-N 2.98Å; Y460-Q464 VanDerWaalsContact O-N 3.09Å |
| 461 | L | 57.7 | Low | 62.5 | Low | 45 Ų | 45 | 92.1 Ų | 92.1 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 176.1 | -83.6 | 153.5 | 0 | 0 | 0 | 111.9 | M457 E458 Q464 K465 Q504 | M457-L461 HydrophobicContact CG-CD1 4.2Å; M457-L461 PolarHBondContact O-N 3.4Å; E458-L461 PolarHBondContact O-N 2.87Å; L461-Q464 PolarHBondContact O-N 3.32Å; L461-K465 PolarHBondContact O-N 2.91Å; L461-K465 VanDerWaalsContact O-N 3.15Å; L461-Q504 HydrophobicContact CD2-CG 3.97Å |
| 462 | Q | 66 | Low | 63.8 | Low | 128 Ų | 128 | 92.1 Ų | 92.1 | 60% | 0.598 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.5 | -41 | 176.6 | -161.7 | 158.6 | -6.9 | 0 | 0 | 111.5 | E458 N459 Y460 Q464 K465 E466 | E458-Q462 VanDerWaalsContact O-CB 3.31Å; E458-Q462 WeakPolarHBondContact O-CB 3.38Å; E458-Q462 PolarHBondContact O-N 3.43Å; N459-Q462 PolarHBondContact O-N 3.4Å; Y460-Q462 VanDerWaalsContact C-N 3.31Å; Y460-Q462 PolarHBondContact O-N 3.08Å; Q462-Q464 PolarHBondContact O-N 3.42Å; Q462-K465 PolarHBondContact O-N 2.8Å; Q462-E466 WeakPolarHBondContact O-CB 3.26Å; Q462-E466 PolarHBondContact O-N 3.03Å |
| 463 | E | 72.1 | Confident | 65.3 | Low | 95 Ų | 95 | 92.4 Ų | 92.4 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.6 | -31.6 | 175.7 | -161.5 | -167.6 | 149.4 | 0 | 0 | 113.2 | N459 Y460 R467 | N459-E463 WeakPolarHBondContact O-CB 3.23Å; N459-E463 PolarHBondContact O-N 2.8Å; Y460-E463 PolarHBondContact O-N 3Å; E463-R467 PolarHBondContact O-N 3.4Å; E463-R467 IonicContact OE1-CZ 3.52Å; E463-R467 IonicContact OE1-NH1 3.82Å; E463-R467 IonicContact OE1-NH2 2.75Å; E463-R467 PolarHBondContact OE1-NH2 2.96Å; E463-R467 IonicContact OE2-NH2 3.91Å |
| 464 | Q | 65.6 | Low | 66.8 | Low | 59 Ų | 59 | 89.8 Ų | 89.8 | 28% | 0.276 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.9 | -38.3 | 173.5 | -71.2 | -60.4 | -43 | 0 | 0 | 112.1 | Y460 L461 Q462 R467 L468 | Y460-Q464 HydrophobicContact CE1-CG 4.21Å; Y460-Q464 WeakPolarHBondContact O-CG 3.49Å; Y460-Q464 PolarHBondContact O-N 2.98Å; Y460-Q464 VanDerWaalsContact O-N 3.09Å; L461-Q464 PolarHBondContact O-N 3.32Å; Q462-Q464 PolarHBondContact O-N 3.42Å; Q464-R467 VanDerWaalsContact NE2-NH2 3.17Å; Q464-L468 PolarHBondContact O-N 3.45Å |
| 465 | K | 69.6 | Low | 67.6 | Low | 71 Ų | 71 | 85.8 Ų | 85.8 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.4 | -171.7 | -174.4 | 173 | -160.2 | 0 | 111.4 | L461 Q462 L468 E469 L497 | L461-K465 PolarHBondContact O-N 2.91Å; L461-K465 VanDerWaalsContact O-N 3.15Å; Q462-K465 PolarHBondContact O-N 2.8Å; K465-L468 PolarHBondContact O-N 2.99Å; K465-E469 WeakPolarHBondContact CE-OE1 3.47Å; K465-E469 IonicContact NZ-OE1 3.75Å; K465-E469 WeakPolarHBondContact O-CG 3.2Å; K465-E469 PolarHBondContact O-N 3.36Å; K465-L497 HydrophobicContact CG-CD2 3.89Å |
| 466 | E | 75 | Confident | 68.2 | Low | 111 Ų | 111 | 85.6 Ų | 85.6 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 178.7 | -165.1 | 167.3 | -158.8 | 0 | 0 | 111.4 | Q462 L468 E469 E470 | Q462-E466 WeakPolarHBondContact O-CB 3.26Å; Q462-E466 PolarHBondContact O-N 3.03Å; E466-L468 PolarHBondContact O-N 2.94Å; E466-E469 PolarHBondContact O-N 3.37Å; E466-E470 WeakPolarHBondContact O-CG 3.32Å; E466-E470 PolarHBondContact O-N 2.88Å |
| 467 | R | 76.1 | Confident | 69 | Low | 103 Ų | 103 | 87.1 Ų | 87.1 | 39% | 0.389 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 172.9 | -94.8 | -173.5 | -81 | -132 | -13.4 | 114 | E463 Q464 E469 E470 E471 | E463-R467 PolarHBondContact O-N 3.4Å; E463-R467 IonicContact OE1-CZ 3.52Å; E463-R467 IonicContact OE1-NH1 3.82Å; E463-R467 IonicContact OE1-NH2 2.75Å; E463-R467 PolarHBondContact OE1-NH2 2.96Å; E463-R467 IonicContact OE2-NH2 3.91Å; Q464-R467 VanDerWaalsContact NE2-NH2 3.17Å; R467-E469 VanDerWaalsContact C-N 3.32Å; R467-E470 PolarHBondContact O-N 2.9Å; R467-E471 WeakPolarHBondContact O-CG 3.31Å; R467-E471 PolarHBondContact O-N 3.47Å |
| 468 | L | 70.8 | Confident | 69.9 | Low | 23 Ų | 23 | 87 Ų | 87 | 12% | 0.12 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | 178.3 | -77 | 167.3 | 0 | 0 | 0 | 112.1 | Q464 K465 E466 K472 K493 M496 L497 L500 | Q464-L468 PolarHBondContact O-N 3.45Å; K465-L468 PolarHBondContact O-N 2.99Å; E466-L468 PolarHBondContact O-N 2.94Å; L468-K472 WeakPolarHBondContact O-CB 3.46Å; L468-K472 PolarHBondContact O-N 2.96Å; L468-K472 VanDerWaalsContact O-N 3.09Å; L468-K493 HydrophobicContact CD2-CD 4.23Å; L468-M496 HydrophobicContact CD2-SD 4.01Å; L468-L497 HydrophobicContact CB-CD1 4.4Å; L468-L497 HydrophobicContact CB-CG 4.16Å; L468-L500 HydrophobicContact CD1-CD2 4.17Å |
| 469 | E | 73.6 | Confident | 70 | Confident | 92 Ų | 92 | 92.8 Ų | 92.8 | 43% | 0.43 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.6 | -40.2 | 174.4 | -73.8 | 176.5 | 179.4 | 0 | 0 | 112 | K465 E466 R467 K472 A473 L497 | K465-E469 WeakPolarHBondContact CE-OE1 3.47Å; K465-E469 IonicContact NZ-OE1 3.75Å; K465-E469 WeakPolarHBondContact O-CG 3.2Å; K465-E469 PolarHBondContact O-N 3.36Å; E466-E469 PolarHBondContact O-N 3.37Å; R467-E469 VanDerWaalsContact C-N 3.32Å; E469-K472 PolarHBondContact O-N 3.4Å; E469-A473 PolarHBondContact O-N 2.88Å; E469-L497 HydrophobicContact CG-CD1 4.09Å; E469-L497 HydrophobicContact CG-CD2 4.32Å |
| 470 | E | 76.3 | Confident | 70.1 | Confident | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 173.7 | -74.9 | 178.6 | 167.7 | 0 | 0 | 112.1 | E466 R467 A473 A474 | E466-E470 WeakPolarHBondContact O-CG 3.32Å; E466-E470 PolarHBondContact O-N 2.88Å; R467-E470 PolarHBondContact O-N 2.9Å; E470-A473 PolarHBondContact O-N 3.07Å; E470-A474 WeakPolarHBondContact O-CB 3.22Å; E470-A474 PolarHBondContact O-N 2.73Å |
| 471 | E | 73.9 | Confident | 69.8 | Low | 92 Ų | 92 | 90.3 Ų | 90.3 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.2 | -75.7 | -177.9 | -179.5 | 0 | 0 | 112.1 | R467 A473 A474 I475 K493 | R467-E471 WeakPolarHBondContact O-CG 3.31Å; R467-E471 PolarHBondContact O-N 3.47Å; E471-A473 VanDerWaalsContact C-N 3.33Å; E471-A473 PolarHBondContact O-N 2.73Å; E471-A474 PolarHBondContact O-N 3.21Å; E471-I475 WeakPolarHBondContact O-CD1 3.25Å; E471-I475 VanDerWaalsContact O-CG1 3.28Å; E471-I475 WeakPolarHBondContact O-CG1 3.27Å; E471-I475 PolarHBondContact O-N 2.86Å; E471-I475 VanDerWaalsContact O-N 3.09Å; E471-K493 IonicContact OE2-NZ 2.71Å; E471-K493 PolarHBondContact OE2-NZ 2.72Å |
| 472 | K | 74.6 | Confident | 70.3 | Confident | 51 Ų | 51 | 92.6 Ų | 92.6 | 22% | 0.222 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 174.3 | -170.7 | -177.3 | -176.7 | 178.5 | 0 | 110.9 | L468 E469 Q476 L490 E494 | L468-K472 WeakPolarHBondContact O-CB 3.46Å; L468-K472 PolarHBondContact O-N 2.96Å; L468-K472 VanDerWaalsContact O-N 3.09Å; E469-K472 PolarHBondContact O-N 3.4Å; K472-Q476 PolarHBondContact O-N 3.42Å; K472-Q476 VanDerWaalsContact O-N 3.13Å; K472-L490 HydrophobicContact CG-CD2 3.64Å; K472-E494 IonicContact NZ-OE1 2.69Å; K472-E494 PolarHBondContact NZ-OE1 3.37Å |
| 473 | A | 76.4 | Confident | 70.2 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | E469 E470 E471 I475 Q476 D477 | E469-A473 PolarHBondContact O-N 2.88Å; E470-A473 PolarHBondContact O-N 3.07Å; E471-A473 VanDerWaalsContact C-N 3.33Å; E471-A473 PolarHBondContact O-N 2.73Å; A473-I475 PolarHBondContact O-N 3.46Å; A473-Q476 WeakPolarHBondContact O-CB 3.43Å; A473-Q476 PolarHBondContact O-N 3.17Å; A473-Q476 VanDerWaalsContact O-N 3.17Å; A473-D477 PolarHBondContact O-N 3.36Å; A473-D477 VanDerWaalsContact O-N 3.08Å |
| 474 | A | 77.6 | Confident | 69.9 | Low | 64 Ų | 64 | 92.9 Ų | 92.9 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E470 E471 Q476 D477 D478 | E470-A474 WeakPolarHBondContact O-CB 3.22Å; E470-A474 PolarHBondContact O-N 2.73Å; E471-A474 PolarHBondContact O-N 3.21Å; A474-Q476 VanDerWaalsContact C-N 3.3Å; A474-Q476 PolarHBondContact O-N 3.16Å; A474-D477 PolarHBondContact O-N 3.45Å; A474-D478 PolarHBondContact O-N 3.26Å |
| 475 | I | 69.9 | Low | 70.1 | Confident | 32 Ų | 32 | 95.7 Ų | 95.7 | 16% | 0.164 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.8 | -32.3 | 175.9 | -64.9 | 164.8 | 0 | 0 | 0 | 111 | E471 A473 K486 L489 L490 K493 | E471-I475 WeakPolarHBondContact O-CD1 3.25Å; E471-I475 VanDerWaalsContact O-CG1 3.28Å; E471-I475 WeakPolarHBondContact O-CG1 3.27Å; E471-I475 PolarHBondContact O-N 2.86Å; E471-I475 VanDerWaalsContact O-N 3.09Å; A473-I475 PolarHBondContact O-N 3.46Å; I475-K486 HydrophobicContact CG2-CG 4.43Å; I475-K486 WeakPolarHBondContact O-CE 3.4Å; I475-L489 HydrophobicContact CD1-CB 4.47Å; I475-L489 HydrophobicContact CG2-CB 4.17Å; I475-L490 HydrophobicContact CG2-CD2 4.39Å; I475-L490 HydrophobicContact CG2-CG 4.24Å; I475-K493 HydrophobicContact CD1-CG 4.41Å |
| 476 | Q | 67.2 | Low | 70.2 | Confident | 125 Ų | 125 | 94.5 Ų | 94.5 | 58% | 0.584 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70.5 | -31.7 | 176.7 | -171.4 | 173.4 | 1.5 | 0 | 0 | 112.9 | K472 A473 A474 K486 L490 | K472-Q476 PolarHBondContact O-N 3.42Å; K472-Q476 VanDerWaalsContact O-N 3.13Å; A473-Q476 WeakPolarHBondContact O-CB 3.43Å; A473-Q476 PolarHBondContact O-N 3.17Å; A473-Q476 VanDerWaalsContact O-N 3.17Å; A474-Q476 VanDerWaalsContact C-N 3.3Å; A474-Q476 PolarHBondContact O-N 3.16Å; Q476-K486 VanDerWaalsContact O-CE 3.26Å; Q476-K486 WeakPolarHBondContact O-CE 3.45Å; Q476-K486 PolarHBondContact O-NZ 2.98Å; Q476-L490 HydrophobicContact CB-CD2 4.49Å |
| 477 | D | 69.2 | Low | 70 | Confident | 143 Ų | 143 | 94.8 Ų | 94.8 | 77% | 0.765 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -88 | -16.2 | -177.6 | -146.1 | 31.3 | 0 | 0 | 0 | 113.2 | A473 A474 R479 | A473-D477 PolarHBondContact O-N 3.36Å; A473-D477 VanDerWaalsContact O-N 3.08Å; A474-D477 PolarHBondContact O-N 3.45Å; D477-R479 PolarHBondContact O-N 3.12Å |
| 478 | D | 70.5 | Confident | 70.1 | Confident | 70 Ų | 70 | 96.7 Ų | 96.7 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | trans | -69.3 | 118.4 | 178.1 | -160 | -12.1 | 0 | 0 | 0 | 111.7 | A474 S480 L481 K486 | A474-D478 PolarHBondContact O-N 3.26Å; D478-S480 WeakPolarHBondContact OD1-CB 3.42Å; D478-S480 PolarHBondContact OD1-N 3.08Å; D478-L481 HydrophobicContact CB-CD1 4.21Å; D478-K486 PolarHBondContact O-NZ 2.81Å | ||
| 479 | R | 60.9 | Low | 70.3 | Confident | 245 Ų | 245 | 98.8 Ų | 98.8 | 93% | 0.925 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -92.2 | -4.8 | 178.7 | -78.4 | 176.4 | 83.9 | 170.3 | 4.6 | 113.1 | D477 | D477-R479 PolarHBondContact O-N 3.12Š|
| 480 | S | 63.7 | Low | 70.5 | Confident | 110 Ų | 110 | 96.1 Ų | 96.1 | 77% | 0.769 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -86.1 | -13.9 | -177.8 | -171.9 | 0 | 0 | 0 | 0 | 114.2 | D478 | D478-S480 WeakPolarHBondContact OD1-CB 3.42Å; D478-S480 PolarHBondContact OD1-N 3.08Å |
| 481 | L | 60.1 | Low | 70.6 | Confident | 61 Ų | 61 | 95.6 Ų | 95.6 | 32% | 0.319 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -91.2 | 141.9 | -174.8 | -68.7 | 168.1 | 0 | 0 | 0 | 112.3 | D478 K486 | D478-L481 HydrophobicContact CB-CD1 4.21Å; L481-K486 HydrophobicContact CB-CB 4.37Å |
| 482 | V | 66.5 | Low | 70.8 | Confident | 93 Ų | 93 | 97 Ų | 97 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | trans | -61.5 | 137.3 | 173.6 | 179.5 | 0 | 0 | 0 | 0 | 109.2 | E484 E485 K486 | V482-E484 PolarHBondContact O-N 3.26Å; V482-E484 VanDerWaalsContact O-N 3.1Å; V482-E485 PolarHBondContact O-N 3.09Å; V482-E485 VanDerWaalsContact O-N 3.08Å; V482-K486 PolarHBondContact O-N 3.16Å; V482-K486 VanDerWaalsContact O-N 3.08Å | ||
| 483 | S | 64.9 | Low | 70.8 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 63% | 0.629 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.1 | -34.7 | -172.1 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | Q487 | S483-Q487 WeakPolarHBondContact O-CB 3.41Å; S483-Q487 PolarHBondContact O-N 3.39Å; S483-Q487 VanDerWaalsContact O-N 3.12Å |
| 484 | E | 65 | Low | 70.8 | Confident | 138 Ų | 138 | 99 Ų | 99 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.4 | -38.2 | 178.7 | -70.3 | -173.5 | 163.5 | 0 | 0 | 113.7 | V482 Q487 K488 | V482-E484 PolarHBondContact O-N 3.26Å; V482-E484 VanDerWaalsContact O-N 3.1Å; E484-Q487 PolarHBondContact O-N 3.29Å; E484-K488 PolarHBondContact O-N 3.22Å; E484-K488 VanDerWaalsContact O-N 3.16Å |
| 485 | E | 69.7 | Low | 70.8 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.4 | -39 | 177.4 | -73.4 | -172.5 | 152.5 | 0 | 0 | 111.3 | V482 Q487 K488 L489 | V482-E485 PolarHBondContact O-N 3.09Å; V482-E485 VanDerWaalsContact O-N 3.08Å; E485-Q487 VanDerWaalsContact C-N 3.3Å; E485-Q487 PolarHBondContact O-N 3.17Å; E485-K488 PolarHBondContact O-N 3.2Å; E485-L489 WeakPolarHBondContact O-CG 3.31Å; E485-L489 PolarHBondContact O-N 2.94Å |
| 486 | K | 71.9 | Confident | 70.9 | Confident | 46 Ų | 46 | 106 Ų | 106 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 172.8 | -177.9 | 171.7 | -179.2 | 159.6 | 0 | 111.8 | I475 Q476 D478 L481 V482 L490 | I475-K486 HydrophobicContact CG2-CG 4.43Å; I475-K486 WeakPolarHBondContact O-CE 3.4Å; Q476-K486 VanDerWaalsContact O-CE 3.26Å; Q476-K486 WeakPolarHBondContact O-CE 3.45Å; Q476-K486 PolarHBondContact O-NZ 2.98Å; D478-K486 PolarHBondContact O-NZ 2.81Å; L481-K486 HydrophobicContact CB-CB 4.37Å; V482-K486 PolarHBondContact O-N 3.16Å; V482-K486 VanDerWaalsContact O-N 3.08Å; K486-L490 HydrophobicContact CG-CD1 4.23Å; K486-L490 WeakPolarHBondContact O-CG 3.42Å; K486-L490 PolarHBondContact O-N 3.42Å; K486-L490 VanDerWaalsContact O-N 3.11Å |
| 487 | Q | 71.8 | Confident | 71.1 | Confident | 117 Ų | 117 | 101.3 Ų | 101.3 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 179.2 | -168 | 168.4 | -3.7 | 0 | 0 | 112.2 | S483 E484 E485 L489 L490 E491 | S483-Q487 WeakPolarHBondContact O-CB 3.41Å; S483-Q487 PolarHBondContact O-N 3.39Å; S483-Q487 VanDerWaalsContact O-N 3.12Å; E484-Q487 PolarHBondContact O-N 3.29Å; E485-Q487 VanDerWaalsContact C-N 3.3Å; E485-Q487 PolarHBondContact O-N 3.17Å; Q487-L489 PolarHBondContact O-N 3.02Å; Q487-L490 PolarHBondContact O-N 3.06Å; Q487-E491 WeakPolarHBondContact O-CG 3.33Å; Q487-E491 PolarHBondContact O-N 3Å |
| 488 | K | 78.2 | Confident | 71.5 | Confident | 144 Ų | 144 | 99 Ų | 99 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 175.6 | -76.2 | 177.7 | -179.7 | 172.7 | 0 | 113.2 | E484 E485 E491 E492 | E484-K488 PolarHBondContact O-N 3.22Å; E484-K488 VanDerWaalsContact O-N 3.16Å; E485-K488 PolarHBondContact O-N 3.2Å; K488-E491 PolarHBondContact O-N 2.77Å; K488-E492 WeakPolarHBondContact O-CB 3.3Å; K488-E492 PolarHBondContact O-N 3.13Å |
| 489 | L | 75.4 | Confident | 71.5 | Confident | 66 Ų | 66 | 99.2 Ų | 99.2 | 35% | 0.346 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -37.1 | 179.1 | -72 | 171.1 | 0 | 0 | 0 | 112.2 | I475 E485 Q487 K493 | I475-L489 HydrophobicContact CD1-CB 4.47Å; I475-L489 HydrophobicContact CG2-CB 4.17Å; E485-L489 WeakPolarHBondContact O-CG 3.31Å; E485-L489 PolarHBondContact O-N 2.94Å; Q487-L489 PolarHBondContact O-N 3.02Å; L489-K493 WeakPolarHBondContact O-CB 3.1Å; L489-K493 VanDerWaalsContact O-CG 3.27Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 2.76Å; L489-K493 VanDerWaalsContact O-N 3.07Å |
| 490 | L | 75.9 | Confident | 72 | Confident | 37 Ų | 37 | 89.3 Ų | 89.3 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 174.4 | -76.5 | 170.1 | 0 | 0 | 0 | 111.9 | K472 I475 Q476 K486 Q487 K493 E494 | K472-L490 HydrophobicContact CG-CD2 3.64Å; I475-L490 HydrophobicContact CG2-CD2 4.39Å; I475-L490 HydrophobicContact CG2-CG 4.24Å; Q476-L490 HydrophobicContact CB-CD2 4.49Å; K486-L490 HydrophobicContact CG-CD1 4.23Å; K486-L490 WeakPolarHBondContact O-CG 3.42Å; K486-L490 PolarHBondContact O-N 3.42Å; K486-L490 VanDerWaalsContact O-N 3.11Å; Q487-L490 PolarHBondContact O-N 3.06Å; L490-K493 PolarHBondContact O-N 2.84Å; L490-E494 VanDerWaalsContact O-CB 3.28Å; L490-E494 WeakPolarHBondContact O-CB 3.4Å; L490-E494 PolarHBondContact O-N 3.03Å |
| 491 | E | 79 | Confident | 72.5 | Confident | 111 Ų | 111 | 90.9 Ų | 90.9 | 52% | 0.519 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 176 | -76.6 | 176.1 | -172.3 | 0 | 0 | 112.2 | Q487 K488 E494 K495 | Q487-E491 WeakPolarHBondContact O-CG 3.33Å; Q487-E491 PolarHBondContact O-N 3Å; K488-E491 PolarHBondContact O-N 2.77Å; E491-E494 PolarHBondContact O-N 3.03Å; E491-K495 WeakPolarHBondContact O-CB 3.38Å; E491-K495 PolarHBondContact O-N 3.46Å |
| 492 | E | 77.9 | Confident | 73.2 | Confident | 120 Ų | 120 | 94.3 Ų | 94.3 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.6 | -42.7 | 177.6 | -171.6 | 174 | -166.3 | 0 | 0 | 112.1 | K488 K495 M496 | K488-E492 WeakPolarHBondContact O-CB 3.3Å; K488-E492 PolarHBondContact O-N 3.13Å; E492-K495 PolarHBondContact O-N 3.26Å; E492-M496 PolarHBondContact O-N 2.56Å |
| 493 | K | 75.5 | Confident | 73.3 | Confident | 46 Ų | 46 | 94.8 Ų | 94.8 | 20% | 0.2 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 177.2 | -69.2 | -72.5 | 175.5 | 172.5 | 0 | 112.4 | L468 E471 I475 L489 L490 M496 L497 | L468-K493 HydrophobicContact CD2-CD 4.23Å; E471-K493 IonicContact OE2-NZ 2.71Å; E471-K493 PolarHBondContact OE2-NZ 2.72Å; I475-K493 HydrophobicContact CD1-CG 4.41Å; L489-K493 WeakPolarHBondContact O-CB 3.1Å; L489-K493 VanDerWaalsContact O-CG 3.27Å; L489-K493 WeakPolarHBondContact O-CG 3.48Å; L489-K493 PolarHBondContact O-N 2.76Å; L489-K493 VanDerWaalsContact O-N 3.07Å; L490-K493 PolarHBondContact O-N 2.84Å; K493-M496 PolarHBondContact O-N 3.44Å; K493-L497 PolarHBondContact O-N 3.49Å |
| 494 | E | 75.7 | Confident | 73.5 | Confident | 103 Ų | 103 | 93 Ų | 93 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 174.4 | -173.8 | 154.5 | -114.1 | 0 | 0 | 111.9 | K472 L490 E491 M496 L497 E498 | K472-E494 IonicContact NZ-OE1 2.69Å; K472-E494 PolarHBondContact NZ-OE1 3.37Å; L490-E494 VanDerWaalsContact O-CB 3.28Å; L490-E494 WeakPolarHBondContact O-CB 3.4Å; L490-E494 PolarHBondContact O-N 3.03Å; E491-E494 PolarHBondContact O-N 3.03Å; E494-M496 VanDerWaalsContact C-N 3.34Å; E494-M496 PolarHBondContact O-N 2.94Å; E494-L497 PolarHBondContact O-N 2.94Å; E494-E498 WeakPolarHBondContact O-CB 3.5Å; E494-E498 PolarHBondContact O-N 2.75Å |
| 495 | K | 77.2 | Confident | 73.8 | Confident | 145 Ų | 145 | 91.3 Ų | 91.3 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.6 | -41.3 | 173.6 | -172.2 | 179.5 | 178.1 | -175.8 | 0 | 112.4 | E491 E492 E498 D499 | E491-K495 WeakPolarHBondContact O-CB 3.38Å; E491-K495 PolarHBondContact O-N 3.46Å; E492-K495 PolarHBondContact O-N 3.26Å; K495-E498 WeakPolarHBondContact O-CB 2.92Å; K495-E498 PolarHBondContact O-N 3.1Å; K495-D499 PolarHBondContact O-N 2.74Å |
| 496 | M | 72.9 | Confident | 73.7 | Confident | 97 Ų | 97 | 87.4 Ų | 87.4 | 48% | 0.478 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 178.1 | -166.7 | 176.7 | -80.3 | 0 | 0 | 112.4 | L468 E492 K493 E494 L500 | L468-M496 HydrophobicContact CD2-SD 4.01Å; E492-M496 PolarHBondContact O-N 2.56Å; K493-M496 PolarHBondContact O-N 3.44Å; E494-M496 VanDerWaalsContact C-N 3.34Å; E494-M496 PolarHBondContact O-N 2.94Å; M496-L500 WeakPolarHBondContact O-CB 3.44Å; M496-L500 PolarHBondContact O-N 3.17Å; M496-L500 VanDerWaalsContact O-N 3.09Å |
| 497 | L | 72.1 | Confident | 73.3 | Confident | 27 Ų | 27 | 85.9 Ų | 85.9 | 14% | 0.141 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 172.2 | -100.3 | 159.5 | 0 | 0 | 0 | 112.4 | K465 L468 E469 K493 E494 L500 R501 | K465-L497 HydrophobicContact CG-CD2 3.89Å; L468-L497 HydrophobicContact CB-CD1 4.4Å; L468-L497 HydrophobicContact CB-CG 4.16Å; E469-L497 HydrophobicContact CG-CD1 4.09Å; E469-L497 HydrophobicContact CG-CD2 4.32Å; K493-L497 PolarHBondContact O-N 3.49Å; E494-L497 PolarHBondContact O-N 2.94Å; L497-L500 PolarHBondContact O-N 3.47Å; L497-R501 WeakPolarHBondContact O-CB 3.38Å; L497-R501 PolarHBondContact O-N 3Å |
| 498 | E | 75.8 | Confident | 73.3 | Confident | 95 Ų | 95 | 87 Ų | 87 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.9 | -166.6 | 79 | -161.9 | 0 | 0 | 111.3 | E494 K495 R501 R502 | E494-E498 WeakPolarHBondContact O-CB 3.5Å; E494-E498 PolarHBondContact O-N 2.75Å; K495-E498 WeakPolarHBondContact O-CB 2.92Å; K495-E498 PolarHBondContact O-N 3.1Å; E498-R501 PolarHBondContact O-N 2.51Å; E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 3.39Å; E498-R502 IonicContact OE1-NH2 3.12Å |
| 499 | D | 72.1 | Confident | 72.9 | Confident | 74 Ų | 74 | 86.2 Ų | 86.2 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 179.2 | -72.5 | -22.3 | 0 | 0 | 0 | 112.1 | K495 R501 R502 E503 | K495-D499 PolarHBondContact O-N 2.74Å; D499-R501 VanDerWaalsContact C-N 3.3Å; D499-R501 PolarHBondContact O-N 2.94Å; D499-R502 PolarHBondContact O-N 2.76Å; D499-R502 IonicContact OD1-NH1 2.71Å; D499-R502 PolarHBondContact OD1-NH1 3.32Å; D499-E503 PolarHBondContact O-N 3Å |
| 500 | L | 69.9 | Low | 72.3 | Confident | 38 Ų | 38 | 84.7 Ų | 84.7 | 20% | 0.199 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 173.6 | -172.1 | 68.7 | 0 | 0 | 0 | 111.6 | L468 M496 L497 E503 Q504 | L468-L500 HydrophobicContact CD1-CD2 4.17Å; M496-L500 WeakPolarHBondContact O-CB 3.44Å; M496-L500 PolarHBondContact O-N 3.17Å; M496-L500 VanDerWaalsContact O-N 3.09Å; L497-L500 PolarHBondContact O-N 3.47Å; L500-E503 PolarHBondContact O-N 3.34Å; L500-Q504 WeakPolarHBondContact O-CG 3.4Å; L500-Q504 PolarHBondContact O-N 3.06Å |
| 501 | R | 74.5 | Confident | 71.9 | Confident | 142 Ų | 142 | 84.9 Ų | 84.9 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 177.8 | -164.7 | 178 | -171.5 | 139.5 | 1.3 | 112.2 | L497 E498 D499 E503 Q504 Q505 | L497-R501 WeakPolarHBondContact O-CB 3.38Å; L497-R501 PolarHBondContact O-N 3Å; E498-R501 PolarHBondContact O-N 2.51Å; D499-R501 VanDerWaalsContact C-N 3.3Å; D499-R501 PolarHBondContact O-N 2.94Å; R501-E503 VanDerWaalsContact C-N 3.33Å; R501-Q504 PolarHBondContact O-N 3.5Å; R501-Q505 WeakPolarHBondContact O-CG 3.43Å; R501-Q505 PolarHBondContact O-N 3.04Å |
| 502 | R | 74.7 | Confident | 71.5 | Confident | 133 Ų | 133 | 82.4 Ų | 82.4 | 50% | 0.502 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 173.8 | -72.3 | 175.8 | -171 | 143.3 | 2.7 | 111.6 | E498 D499 A506 | E498-R502 WeakPolarHBondContact O-CG 3.31Å; E498-R502 PolarHBondContact O-N 3.39Å; E498-R502 IonicContact OE1-NH2 3.12Å; D499-R502 PolarHBondContact O-N 2.76Å; D499-R502 IonicContact OD1-NH1 2.71Å; D499-R502 PolarHBondContact OD1-NH1 3.32Å; R502-A506 WeakPolarHBondContact O-CB 3.41Å; R502-A506 PolarHBondContact O-N 3.4Å |
| 503 | E | 69.4 | Low | 70.9 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 49% | 0.486 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 177 | -171.7 | 165.6 | -156.2 | 0 | 0 | 111.6 | D499 L500 R501 A506 T507 | D499-E503 PolarHBondContact O-N 3Å; L500-E503 PolarHBondContact O-N 3.34Å; R501-E503 VanDerWaalsContact C-N 3.33Å; E503-A506 PolarHBondContact O-N 3.24Å; E503-T507 WeakPolarHBondContact O-CG2 3.39Å; E503-T507 PolarHBondContact O-N 3.42Å; E503-T507 PolarHBondContact O-OG1 3.38Å |
| 504 | Q | 68.6 | Low | 70.1 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.5 | -52.6 | 174.1 | -76.8 | 176.5 | -3.1 | 0 | 0 | 112.1 | L461 L500 R501 A506 T507 E508 | L461-Q504 HydrophobicContact CD2-CG 3.97Å; L500-Q504 WeakPolarHBondContact O-CG 3.4Å; L500-Q504 PolarHBondContact O-N 3.06Å; R501-Q504 PolarHBondContact O-N 3.5Å; Q504-A506 VanDerWaalsContact C-N 3.29Å; Q504-A506 PolarHBondContact O-N 3.12Å; Q504-T507 WeakPolarHBondContact CA-OG1 3.48Å; Q504-T507 PolarHBondContact O-N 3.1Å; Q504-T507 VanDerWaalsContact O-N 3.1Å; Q504-T507 PolarHBondContact O-OG1 3.2Å; Q504-E508 WeakPolarHBondContact O-CB 3.49Å; Q504-E508 PolarHBondContact O-N 2.98Å |
| 505 | Q | 72.1 | Confident | 69.6 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | 178.4 | -72.7 | 176.4 | -9.2 | 0 | 0 | 112.2 | R501 E508 L509 | R501-Q505 WeakPolarHBondContact O-CG 3.43Å; R501-Q505 PolarHBondContact O-N 3.04Å; Q505-E508 PolarHBondContact O-N 3.44Å; Q505-L509 WeakPolarHBondContact O-CB 3.5Å; Q505-L509 VanDerWaalsContact O-CG 3.3Å; Q505-L509 WeakPolarHBondContact O-CG 3.05Å; Q505-L509 PolarHBondContact O-N 2.71Å |
| 506 | A | 66.7 | Low | 69 | Low | 35 Ų | 35 | 78.4 Ų | 78.4 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R502 E503 Q504 L510 | R502-A506 WeakPolarHBondContact O-CB 3.41Å; R502-A506 PolarHBondContact O-N 3.4Å; E503-A506 PolarHBondContact O-N 3.24Å; Q504-A506 VanDerWaalsContact C-N 3.29Å; Q504-A506 PolarHBondContact O-N 3.12Å; A506-L510 PolarHBondContact O-N 3.21Å |
| 507 | T | 65.1 | Low | 68.1 | Low | 14 Ų | 14 | 75.1 Ų | 75.1 | 9% | 0.086 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.7 | -40 | 175.2 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | M399 E503 Q504 L510 A511 | M399-T507 HydrophobicContact CE-CG2 4.07Å; E503-T507 WeakPolarHBondContact O-CG2 3.39Å; E503-T507 PolarHBondContact O-N 3.42Å; E503-T507 PolarHBondContact O-OG1 3.38Å; Q504-T507 WeakPolarHBondContact CA-OG1 3.48Å; Q504-T507 PolarHBondContact O-N 3.1Å; Q504-T507 VanDerWaalsContact O-N 3.1Å; Q504-T507 PolarHBondContact O-OG1 3.2Å; T507-L510 WeakPolarHBondContact O-CB 3.44Å; T507-L510 PolarHBondContact O-N 3.09Å; T507-A511 WeakPolarHBondContact O-CB 3.39Å; T507-A511 PolarHBondContact O-N 3.48Å |
| 508 | E | 70.1 | Confident | 67 | Low | 140 Ų | 140 | 77.8 Ų | 77.8 | 65% | 0.654 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | 179.4 | -169.9 | 179.3 | -175 | 0 | 0 | 111.5 | Q504 Q505 L510 A511 A512 | Q504-E508 WeakPolarHBondContact O-CB 3.49Å; Q504-E508 PolarHBondContact O-N 2.98Å; Q505-E508 PolarHBondContact O-N 3.44Å; E508-L510 VanDerWaalsContact C-N 3.28Å; E508-L510 PolarHBondContact O-N 3.46Å; E508-A511 PolarHBondContact O-N 3.38Å; E508-A512 WeakPolarHBondContact O-CB 3.33Å; E508-A512 PolarHBondContact O-N 3.17Å |
| 509 | L | 71.1 | Confident | 65.8 | Low | 129 Ų | 129 | 76.9 Ų | 76.9 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.6 | -38 | 172.9 | -74.3 | 170.8 | 0 | 0 | 0 | 112.3 | Q505 K513 | Q505-L509 WeakPolarHBondContact O-CB 3.5Å; Q505-L509 VanDerWaalsContact O-CG 3.3Å; Q505-L509 WeakPolarHBondContact O-CG 3.05Å; Q505-L509 PolarHBondContact O-N 2.71Å; L509-K513 WeakPolarHBondContact O-CB 3.09Å; L509-K513 PolarHBondContact O-N 3.35Å |
| 510 | L | 62.1 | Low | 65 | Low | 34 Ų | 34 | 80.6 Ų | 80.6 | 18% | 0.178 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 177.5 | -143.8 | 86.6 | 0 | 0 | 0 | 111.4 | L390 Q393 L394 A506 T507 E508 K513 Y514 | L390-L510 HydrophobicContact CD2-CD1 4.14Å; L390-L510 HydrophobicContact CD2-CD2 4.34Å; L390-L510 HydrophobicContact CD2-CG 4.04Å; Q393-L510 HydrophobicContact CB-CD2 3.93Å; L394-L510 HydrophobicContact CD2-CB 4.43Å; L394-L510 HydrophobicContact CD2-CD2 3.87Å; L394-L510 HydrophobicContact CG-CD2 4.02Å; A506-L510 PolarHBondContact O-N 3.21Å; T507-L510 WeakPolarHBondContact O-CB 3.44Å; T507-L510 PolarHBondContact O-N 3.09Å; E508-L510 VanDerWaalsContact C-N 3.28Å; E508-L510 PolarHBondContact O-N 3.46Å; L510-K513 PolarHBondContact O-N 3.17Å; L510-Y514 WeakPolarHBondContact O-CB 3.27Å; L510-Y514 PolarHBondContact O-N 3.39Å |
| 511 | A | 68.3 | Low | 63.8 | Low | 41 Ų | 41 | 82.9 Ų | 82.9 | 34% | 0.339 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T507 E508 K513 Y514 K515 | T507-A511 WeakPolarHBondContact O-CB 3.39Å; T507-A511 PolarHBondContact O-N 3.48Å; E508-A511 PolarHBondContact O-N 3.38Å; A511-K513 VanDerWaalsContact C-N 3.33Å; A511-K513 PolarHBondContact O-N 3.22Å; A511-Y514 WeakPolarHBondContact O-CB 3.42Å; A511-Y514 PolarHBondContact O-N 3.33Å; A511-K515 WeakPolarHBondContact O-CB 3.37Å; A511-K515 PolarHBondContact O-N 2.94Å |
| 512 | A | 69.8 | Low | 62.3 | Low | 58 Ų | 58 | 82 Ų | 82 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E508 K515 A516 | E508-A512 WeakPolarHBondContact O-CB 3.33Å; E508-A512 PolarHBondContact O-N 3.17Å; A512-K515 PolarHBondContact O-N 3.14Å; A512-A516 VanDerWaalsContact O-CB 3.25Å; A512-A516 WeakPolarHBondContact O-CB 3.48Å; A512-A516 PolarHBondContact O-N 3.48Å |
| 513 | K | 66.1 | Low | 60.5 | Low | 101 Ų | 101 | 82.9 Ų | 82.9 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 174.1 | -169.1 | -175.2 | 178 | -160.7 | 0 | 112 | E386 L509 L510 A511 M517 | E386-K513 IonicContact OE1-NZ 3.24Å; E386-K513 PolarHBondContact OE1-NZ 3.02Å; L509-K513 WeakPolarHBondContact O-CB 3.09Å; L509-K513 PolarHBondContact O-N 3.35Å; L510-K513 PolarHBondContact O-N 3.17Å; A511-K513 VanDerWaalsContact C-N 3.33Å; A511-K513 PolarHBondContact O-N 3.22Å; K513-M517 PolarHBondContact O-N 2.91Å |
| 514 | Y | 57.2 | Low | 59.3 | Low | 39 Ų | 39 | 81.9 Ų | 81.9 | 15% | 0.153 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61 | -52.9 | 174.5 | 174.7 | -93.5 | 0 | 0 | 0 | 111.3 | I387 K391 L394 L510 A511 A516 M517 E518 | I387-Y514 HydrophobicContact CG2-CE2 4.25Å; K391-Y514 HydrophobicContact CD-CE2 4.36Å; K391-Y514 WeakPolarHBondContact CE-OH 3.42Å; K391-Y514 HydrophobicContact CG-CE2 3.8Å; L394-Y514 HydrophobicContact CD1-CD2 4.49Å; L394-Y514 HydrophobicContact CD1-CG 4.42Å; L510-Y514 WeakPolarHBondContact O-CB 3.27Å; L510-Y514 PolarHBondContact O-N 3.39Å; A511-Y514 WeakPolarHBondContact O-CB 3.42Å; A511-Y514 PolarHBondContact O-N 3.33Å; Y514-A516 VanDerWaalsContact C-N 3.32Å; Y514-A516 PolarHBondContact O-N 2.87Å; Y514-M517 PolarHBondContact O-N 3.35Å; Y514-E518 WeakPolarHBondContact CE1-OE2 3.3Å; Y514-E518 PolarHBondContact O-N 3.47Å |
| 515 | K | 65.1 | Low | 58.2 | Low | 144 Ų | 144 | 82.3 Ų | 82.3 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.1 | -37.6 | -179.5 | -166.2 | 171.2 | -173 | 167.2 | 0 | 112.8 | A511 A512 M517 E518 S519 | A511-K515 WeakPolarHBondContact O-CB 3.37Å; A511-K515 PolarHBondContact O-N 2.94Å; A512-K515 PolarHBondContact O-N 3.14Å; K515-M517 VanDerWaalsContact C-N 3.31Å; K515-M517 PolarHBondContact O-N 3.37Å; K515-E518 PolarHBondContact O-N 2.9Å; K515-S519 PolarHBondContact O-N 3.41Å; K515-S519 PolarHBondContact O-OG 3.03Å |
| 516 | A | 65.7 | Low | 56.6 | Low | 46 Ų | 46 | 88.8 Ų | 88.8 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.9 | -20.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A512 Y514 S519 K520 | A512-A516 VanDerWaalsContact O-CB 3.25Å; A512-A516 WeakPolarHBondContact O-CB 3.48Å; A512-A516 PolarHBondContact O-N 3.48Å; Y514-A516 VanDerWaalsContact C-N 3.32Å; Y514-A516 PolarHBondContact O-N 2.87Å; A516-S519 PolarHBondContact O-OG 3.47Å; A516-K520 WeakPolarHBondContact O-CD 3.44Å; A516-K520 WeakPolarHBondContact O-CE 3.38Å; A516-K520 VanDerWaalsContact O-CG 3.31Å; A516-K520 WeakPolarHBondContact O-CG 3.24Å |
| 517 | M | 53.1 | Low | 55.5 | Low | 28 Ų | 28 | 92.9 Ų | 92.9 | 14% | 0.138 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -88.1 | -34.1 | 171.5 | -75.5 | -158.4 | -54.6 | 0 | 0 | 112.2 | E386 L390 K513 Y514 K515 K520 L521 | E386-M517 HydrophobicContact CG-CE 3.86Å; E386-M517 HydrophobicContact CG-SD 4.39Å; L390-M517 HydrophobicContact CD1-CE 3.15Å; L390-M517 HydrophobicContact CG-CE 4.45Å; K513-M517 PolarHBondContact O-N 2.91Å; Y514-M517 PolarHBondContact O-N 3.35Å; K515-M517 VanDerWaalsContact C-N 3.31Å; K515-M517 PolarHBondContact O-N 3.37Å; M517-K520 WeakPolarHBondContact O-CB 3.31Å; M517-K520 PolarHBondContact O-N 3Å; M517-L521 PolarHBondContact O-N 3.05Å |
| 518 | E | 49.9 | Very low | 54.8 | Low | 84 Ų | 84 | 99 Ų | 99 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 173.8 | -171.2 | 169.9 | -140.3 | 0 | 0 | 111.9 | Y514 K515 K520 L521 L522 | Y514-E518 WeakPolarHBondContact CE1-OE2 3.3Å; Y514-E518 PolarHBondContact O-N 3.47Å; K515-E518 PolarHBondContact O-N 2.9Å; E518-K520 PolarHBondContact O-N 2.97Å; E518-L521 WeakPolarHBondContact O-CB 3.39Å; E518-L521 PolarHBondContact O-N 3.46Å; E518-L521 VanDerWaalsContact O-N 3.09Å; E518-L522 PolarHBondContact O-N 3.07Å |
| 519 | S | 50.5 | Low | 53.5 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 53% | 0.531 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.1 | -19.4 | 174.4 | 65.7 | 0 | 0 | 0 | 0 | 114 | K515 A516 L522 | K515-S519 PolarHBondContact O-N 3.41Å; K515-S519 PolarHBondContact O-OG 3.03Å; A516-S519 PolarHBondContact O-OG 3.47Å; S519-L522 VanDerWaalsContact O-O 3.1Å |
| 520 | K | 55 | Low | 52.4 | Low | 151 Ų | 151 | 98.5 Ų | 98.5 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -80.5 | -17.7 | 173.2 | -69.9 | 172.7 | -174.6 | -177.7 | 0 | 113 | A516 M517 E518 | A516-K520 WeakPolarHBondContact O-CD 3.44Å; A516-K520 WeakPolarHBondContact O-CE 3.38Å; A516-K520 VanDerWaalsContact O-CG 3.31Å; A516-K520 WeakPolarHBondContact O-CG 3.24Å; M517-K520 WeakPolarHBondContact O-CB 3.31Å; M517-K520 PolarHBondContact O-N 3Å; E518-K520 PolarHBondContact O-N 2.97Å |
| 521 | L | 44.6 | Very low | 51.9 | Low | 87 Ų | 87 | 102 Ų | 102 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -86.8 | -22.2 | 172.9 | -78.2 | 162.2 | 0 | 0 | 0 | 112.4 | I387 M517 E518 | I387-L521 HydrophobicContact CD1-CD1 3.29Å; M517-L521 PolarHBondContact O-N 3.05Å; E518-L521 WeakPolarHBondContact O-CB 3.39Å; E518-L521 PolarHBondContact O-N 3.46Å; E518-L521 VanDerWaalsContact O-N 3.09Å |
| 522 | L | 43.3 | Very low | 51.1 | Low | 123 Ų | 123 | 102.8 Ų | 102.8 | 64% | 0.644 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -110.4 | 91.8 | 179.4 | -88.6 | 147.8 | 0 | 0 | 0 | 110.4 | E518 S519 | E518-L522 PolarHBondContact O-N 3.07Å; S519-L522 VanDerWaalsContact O-O 3.1Å |
| 523 | I | 36.5 | Very low | 50.1 | Low | 151 Ų | 151 | 104.9 Ų | 104.9 | 77% | 0.774 | 56% | 0.556 | S | S | * | * | trans | 164.8 | 110.3 | 134.6 | -81.6 | 151.5 | 0 | 0 | 0 | 107.2 | G525 | I523-G525 PolarHBondContact O-N 2.88Š| ||
| 524 | G | 43.7 | Very low | 49.5 | Very low | 84 Ų | 84 | 106.4 Ų | 106.4 | 87% | 0.866 | 56% | 0.564 | S | S | * | * | trans | -63.4 | 126.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 525 | G | 46.7 | Very low | 49.4 | Very low | 60 Ų | 60 | 109.4 Ų | 109.4 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | trans | 99.7 | 92.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I523 | I523-G525 PolarHBondContact O-N 2.88Š| ||
| 526 | R | 39 | Very low | 48.8 | Very low | 240 Ų | 240 | 108.6 Ų | 108.6 | 91% | 0.906 | 58% | 0.578 | S | S | * | * | S | Bend | -174.7 | 134.2 | 120.4 | -97.7 | 165.4 | -157.8 | -170.6 | 6 | 111.9 | |||
| 527 | N | 43.5 | Very low | 48.6 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 64% | 0.642 | 59% | 0.592 | S | S | * | * | trans | 41.6 | 93.5 | 162.3 | -61.1 | 4.2 | 0 | 0 | 0 | 118.8 | M529 | N527-M529 VanDerWaalsContact C-N 3.27Å; N527-M529 PolarHBondContact O-N 2.8Å | ||
| 528 | I | 49.2 | Very low | 49.1 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.3 | -29.4 | 178.2 | -65.8 | 160.6 | 0 | 0 | 0 | 113.2 | T532 | I528-T532 HydrophobicContact CG2-CG2 4.39Å; I528-T532 WeakPolarHBondContact O-CG2 3.46Å; I528-T532 PolarHBondContact O-N 3.47Å; I528-T532 PolarHBondContact O-OG1 2.97Å |
| 529 | M | 43.3 | Very low | 49.4 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 72% | 0.724 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.7 | -32.9 | -170.9 | -76.2 | -171.8 | -72.3 | 0 | 0 | 115.3 | N527 T532 | N527-M529 VanDerWaalsContact C-N 3.27Å; N527-M529 PolarHBondContact O-N 2.8Å; M529-T532 WeakPolarHBondContact CA-OG1 3.48Å; M529-T532 PolarHBondContact O-OG1 3.24Å |
| 530 | D | 48 | Very low | 49.9 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 59% | 0.594 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.6 | -34.5 | 178.5 | -68 | -33.4 | 0 | 0 | 0 | 111.1 | N533 E534 | D530-N533 PolarHBondContact O-N 3.43Å; D530-E534 PolarHBondContact O-N 3Å |
| 531 | H | 52.4 | Low | 50.5 | Low | 107 Ų | 107 | 119.8 Ų | 119.8 | 50% | 0.495 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.5 | -36.6 | 177.2 | -123.3 | 58.5 | 0 | 0 | 0 | 112.7 | Q535 | H531-Q535 PolarHBondContact CD2-NE2 3.33Å; H531-Q535 VanDerWaalsContact CD2-NE2 3.34Å; H531-Q535 VanDerWaalsContact O-CB 3.24Å; H531-Q535 WeakPolarHBondContact O-CB 3.47Å; H531-Q535 WeakPolarHBondContact O-CG 3.34Å; H531-Q535 PolarHBondContact O-N 3.09Å |
| 532 | T | 50.1 | Low | 51 | Low | 57 Ų | 57 | 120.8 Ų | 120.8 | 35% | 0.35 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 177.6 | 42.3 | 0 | 0 | 0 | 0 | 112.5 | I528 M529 Q536 | I528-T532 HydrophobicContact CG2-CG2 4.39Å; I528-T532 WeakPolarHBondContact O-CG2 3.46Å; I528-T532 PolarHBondContact O-N 3.47Å; I528-T532 PolarHBondContact O-OG1 2.97Å; M529-T532 WeakPolarHBondContact CA-OG1 3.48Å; M529-T532 PolarHBondContact O-OG1 3.24Å; T532-Q536 WeakPolarHBondContact O-CB 3.32Å; T532-Q536 WeakPolarHBondContact O-CG 3.45Å; T532-Q536 PolarHBondContact O-N 3.05Å |
| 533 | N | 48.9 | Very low | 51.5 | Low | 102 Ų | 102 | 124 Ų | 124 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.8 | -39.5 | -178.6 | -77.4 | -15.6 | 0 | 0 | 0 | 112.2 | D530 K537 | D530-N533 PolarHBondContact O-N 3.43Å; N533-K537 WeakPolarHBondContact O-CB 3.48Å; N533-K537 PolarHBondContact O-N 3.41Å; N533-K537 VanDerWaalsContact O-N 3.11Å |
| 534 | E | 55 | Low | 52.8 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.9 | -39.8 | 175.2 | -71.6 | -174.5 | 165 | 0 | 0 | 112.1 | D530 K537 M538 | D530-E534 PolarHBondContact O-N 3Å; E534-K537 PolarHBondContact O-N 2.97Å; E534-M538 WeakPolarHBondContact O-CB 3.37Å; E534-M538 PolarHBondContact O-N 3.41Å |
| 535 | Q | 53.7 | Low | 54 | Low | 103 Ų | 103 | 123.4 Ų | 123.4 | 48% | 0.481 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.1 | -40.6 | 175.3 | -75.1 | 179.3 | 1.3 | 0 | 0 | 112.2 | H531 M538 L539 | H531-Q535 PolarHBondContact CD2-NE2 3.33Å; H531-Q535 VanDerWaalsContact CD2-NE2 3.34Å; H531-Q535 VanDerWaalsContact O-CB 3.24Å; H531-Q535 WeakPolarHBondContact O-CB 3.47Å; H531-Q535 WeakPolarHBondContact O-CG 3.34Å; H531-Q535 PolarHBondContact O-N 3.09Å; Q535-M538 PolarHBondContact O-N 3.46Å; Q535-L539 VanDerWaalsContact O-CB 3.31Å; Q535-L539 WeakPolarHBondContact O-CB 3.34Å; Q535-L539 WeakPolarHBondContact O-CD1 3.42Å; Q535-L539 WeakPolarHBondContact O-CG 3.5Å; Q535-L539 PolarHBondContact O-N 3.38Å |
| 536 | Q | 52.9 | Low | 54.7 | Low | 126 Ų | 126 | 124.7 Ų | 124.7 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62 | -46.5 | 175.9 | -80.9 | 176.7 | -7.1 | 0 | 0 | 111.8 | T532 M538 L539 E540 | T532-Q536 WeakPolarHBondContact O-CB 3.32Å; T532-Q536 WeakPolarHBondContact O-CG 3.45Å; T532-Q536 PolarHBondContact O-N 3.05Å; Q536-M538 VanDerWaalsContact C-N 3.32Å; Q536-M538 PolarHBondContact O-N 2.9Å; Q536-L539 PolarHBondContact O-N 2.91Å; Q536-E540 WeakPolarHBondContact O-CB 3.39Å; Q536-E540 PolarHBondContact O-N 2.85Å |
| 537 | K | 61.4 | Low | 55.7 | Low | 154 Ų | 154 | 116 Ų | 116 | 67% | 0.67 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.9 | -36.6 | 179.5 | -160 | 172 | -175.2 | 177.1 | 0 | 112.3 | N533 E534 L541 | N533-K537 WeakPolarHBondContact O-CB 3.48Å; N533-K537 PolarHBondContact O-N 3.41Å; N533-K537 VanDerWaalsContact O-N 3.11Å; E534-K537 PolarHBondContact O-N 2.97Å; K537-L541 PolarHBondContact O-N 3.22Å |
| 538 | M | 63.3 | Low | 57.1 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 64% | 0.64 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73 | -37.4 | 177.1 | -163.7 | 176.9 | -66.4 | 0 | 0 | 112.5 | E534 Q535 Q536 E540 K542 | E534-M538 WeakPolarHBondContact O-CB 3.37Å; E534-M538 PolarHBondContact O-N 3.41Å; Q535-M538 PolarHBondContact O-N 3.46Å; Q536-M538 VanDerWaalsContact C-N 3.32Å; Q536-M538 PolarHBondContact O-N 2.9Å; M538-E540 VanDerWaalsContact C-N 3.33Å; M538-K542 WeakPolarHBondContact O-CB 3.28Å; M538-K542 WeakPolarHBondContact O-CG 3.31Å; M538-K542 PolarHBondContact O-N 3.29Å |
| 539 | L | 56 | Low | 57.7 | Low | 106 Ų | 106 | 114.4 Ų | 114.4 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.1 | -36.3 | 174.1 | -84.1 | 162.6 | 0 | 0 | 0 | 112.1 | Q535 Q536 R543 | Q535-L539 VanDerWaalsContact O-CB 3.31Å; Q535-L539 WeakPolarHBondContact O-CB 3.34Å; Q535-L539 WeakPolarHBondContact O-CD1 3.42Å; Q535-L539 WeakPolarHBondContact O-CG 3.5Å; Q535-L539 PolarHBondContact O-N 3.38Å; Q536-L539 PolarHBondContact O-N 2.91Å; L539-R543 WeakPolarHBondContact O-CB 3.36Å; L539-R543 VanDerWaalsContact O-CG 3.29Å; L539-R543 WeakPolarHBondContact O-CG 3.35Å; L539-R543 PolarHBondContact O-N 3.4Å |
| 540 | E | 62.4 | Low | 58.5 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.4 | -46 | 179.3 | -164.9 | 169.3 | -161.8 | 0 | 0 | 112 | Q536 M538 K542 R543 Q544 | Q536-E540 WeakPolarHBondContact O-CB 3.39Å; Q536-E540 PolarHBondContact O-N 2.85Å; M538-E540 VanDerWaalsContact C-N 3.33Å; E540-K542 VanDerWaalsContact C-N 3.34Å; E540-K542 PolarHBondContact O-N 3.07Å; E540-R543 WeakPolarHBondContact O-CB 3.37Å; E540-R543 PolarHBondContact O-N 3.34Å; E540-Q544 WeakPolarHBondContact O-CG 3.36Å; E540-Q544 PolarHBondContact O-N 2.89Å |
| 541 | L | 65.8 | Low | 59.4 | Low | 108 Ų | 108 | 114.5 Ų | 114.5 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | 172.5 | -91.3 | 157.2 | 0 | 0 | 0 | 112 | K537 R543 Q544 E545 | K537-L541 PolarHBondContact O-N 3.22Å; L541-R543 PolarHBondContact O-N 2.81Å; L541-Q544 PolarHBondContact O-N 3.39Å; L541-E545 PolarHBondContact O-N 3.35Å |
| 542 | K | 56.9 | Low | 60.2 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 47% | 0.47 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.1 | -33.1 | 177 | -74.2 | -72.3 | 166.6 | -158.6 | 0 | 112.9 | M538 E540 E545 I546 | M538-K542 WeakPolarHBondContact O-CB 3.28Å; M538-K542 WeakPolarHBondContact O-CG 3.31Å; M538-K542 PolarHBondContact O-N 3.29Å; E540-K542 VanDerWaalsContact C-N 3.34Å; E540-K542 PolarHBondContact O-N 3.07Å; K542-E545 IonicContact NZ-OE2 2.63Å; K542-E545 PolarHBondContact NZ-OE2 2.9Å; K542-E545 PolarHBondContact O-N 2.87Å; K542-I546 WeakPolarHBondContact O-CB 3.38Å; K542-I546 WeakPolarHBondContact O-CD1 3.46Å; K542-I546 WeakPolarHBondContact O-CG1 3.44Å; K542-I546 PolarHBondContact O-N 3.39Å |
| 543 | R | 52 | Low | 60.7 | Low | 191 Ų | 191 | 118.6 Ų | 118.6 | 72% | 0.721 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.6 | -40.5 | 173.8 | -83.7 | 179.9 | 177.7 | -156.1 | 3.4 | 111.8 | L539 E540 L541 A547 | L539-R543 WeakPolarHBondContact O-CB 3.36Å; L539-R543 VanDerWaalsContact O-CG 3.29Å; L539-R543 WeakPolarHBondContact O-CG 3.35Å; L539-R543 PolarHBondContact O-N 3.4Å; E540-R543 WeakPolarHBondContact O-CB 3.37Å; E540-R543 PolarHBondContact O-N 3.34Å; L541-R543 PolarHBondContact O-N 2.81Å; R543-A547 VanDerWaalsContact O-CB 3.31Å; R543-A547 WeakPolarHBondContact O-CB 3.37Å; R543-A547 PolarHBondContact O-N 3.39Å |
| 544 | Q | 63.6 | Low | 61.3 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65 | -45.1 | 175.8 | -70.5 | 177.3 | -0.5 | 0 | 0 | 111.2 | E540 L541 I546 A547 E548 | E540-Q544 WeakPolarHBondContact O-CG 3.36Å; E540-Q544 PolarHBondContact O-N 2.89Å; L541-Q544 PolarHBondContact O-N 3.39Å; Q544-I546 PolarHBondContact O-N 2.91Å; Q544-A547 WeakPolarHBondContact O-CB 3.31Å; Q544-A547 PolarHBondContact O-N 2.85Å; Q544-E548 PolarHBondContact O-N 2.97Å |
| 545 | E | 70.4 | Confident | 62 | Low | 102 Ų | 102 | 118.6 Ų | 118.6 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 178.1 | -163.8 | 177.8 | -167.2 | 0 | 0 | 112.1 | L541 K542 A547 E548 Q549 | L541-E545 PolarHBondContact O-N 3.35Å; K542-E545 IonicContact NZ-OE2 2.63Å; K542-E545 PolarHBondContact NZ-OE2 2.9Å; K542-E545 PolarHBondContact O-N 2.87Å; E545-A547 VanDerWaalsContact C-N 3.33Å; E545-A547 PolarHBondContact O-N 3.35Å; E545-E548 PolarHBondContact O-N 2.92Å; E545-Q549 WeakPolarHBondContact O-CB 3.46Å; E545-Q549 PolarHBondContact O-N 3.47Å |
| 546 | I | 60.3 | Low | 62.4 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 175.4 | -69.2 | 166.2 | 0 | 0 | 0 | 111.6 | K542 Q544 Q549 K550 | K542-I546 WeakPolarHBondContact O-CB 3.38Å; K542-I546 WeakPolarHBondContact O-CD1 3.46Å; K542-I546 WeakPolarHBondContact O-CG1 3.44Å; K542-I546 PolarHBondContact O-N 3.39Å; Q544-I546 PolarHBondContact O-N 2.91Å; I546-Q549 PolarHBondContact O-N 2.95Å; I546-K550 HydrophobicContact CG2-CD 4.33Å; I546-K550 WeakPolarHBondContact O-CB 3.22Å; I546-K550 WeakPolarHBondContact O-CG 3.17Å; I546-K550 PolarHBondContact O-N 2.87Å |
| 547 | A | 61.6 | Low | 62.7 | Low | 57 Ų | 57 | 118.4 Ų | 118.4 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R543 Q544 E545 R551 | R543-A547 VanDerWaalsContact O-CB 3.31Å; R543-A547 WeakPolarHBondContact O-CB 3.37Å; R543-A547 PolarHBondContact O-N 3.39Å; Q544-A547 WeakPolarHBondContact O-CB 3.31Å; Q544-A547 PolarHBondContact O-N 2.85Å; E545-A547 VanDerWaalsContact C-N 3.33Å; E545-A547 PolarHBondContact O-N 3.35Å; A547-R551 PolarHBondContact O-N 3.48Å |
| 548 | E | 71.6 | Confident | 62.6 | Low | 102 Ų | 102 | 117.3 Ų | 117.3 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 173.2 | -75.1 | -165 | 174.4 | 0 | 0 | 112.1 | Q544 E545 K550 R551 R552 | Q544-E548 PolarHBondContact O-N 2.97Å; E545-E548 PolarHBondContact O-N 2.92Å; E548-K550 VanDerWaalsContact C-N 3.34Å; E548-K550 PolarHBondContact O-N 3.39Å; E548-R551 WeakPolarHBondContact O-CB 3.09Å; E548-R551 PolarHBondContact O-N 3Å; E548-R552 PolarHBondContact O-N 2.95Å; E548-R552 IonicContact OE2-CZ 3.05Å; E548-R552 IonicContact OE2-NH2 3.54Å; E548-R552 PolarHBondContact OE2-NH2 3.01Å |
| 549 | Q | 63 | Low | 62.8 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | -180 | -149.3 | 173.8 | 19.4 | 0 | 0 | 111.2 | E545 I546 R551 R552 E553 | E545-Q549 WeakPolarHBondContact O-CB 3.46Å; E545-Q549 PolarHBondContact O-N 3.47Å; I546-Q549 PolarHBondContact O-N 2.95Å; Q549-R551 VanDerWaalsContact C-N 3.3Å; Q549-R551 PolarHBondContact O-N 3.46Å; Q549-R552 PolarHBondContact O-N 3.37Å; Q549-E553 WeakPolarHBondContact O-CB 3.48Å; Q549-E553 PolarHBondContact O-N 2.91Å |
| 550 | K | 59.2 | Low | 62.7 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.7 | -27.7 | 173 | -80.5 | -176.2 | 174.9 | -179.8 | 0 | 113.8 | I546 E548 R554 | I546-K550 HydrophobicContact CG2-CD 4.33Å; I546-K550 WeakPolarHBondContact O-CB 3.22Å; I546-K550 WeakPolarHBondContact O-CG 3.17Å; I546-K550 PolarHBondContact O-N 2.87Å; E548-K550 VanDerWaalsContact C-N 3.34Å; E548-K550 PolarHBondContact O-N 3.39Å; K550-R554 WeakPolarHBondContact O-CG 3.26Å; K550-R554 PolarHBondContact O-N 2.92Å |
| 551 | R | 67.8 | Low | 62.7 | Low | 146 Ų | 146 | 117.2 Ų | 117.2 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.1 | -49.5 | 175.2 | -157.2 | -175.2 | 98.4 | -162.6 | 4.9 | 110.2 | A547 E548 Q549 E553 R554 E555 | A547-R551 PolarHBondContact O-N 3.48Å; E548-R551 WeakPolarHBondContact O-CB 3.09Å; E548-R551 PolarHBondContact O-N 3Å; Q549-R551 VanDerWaalsContact C-N 3.3Å; Q549-R551 PolarHBondContact O-N 3.46Å; R551-E553 VanDerWaalsContact C-N 3.32Å; R551-E553 PolarHBondContact O-N 3.4Å; R551-R554 PolarHBondContact O-N 3.47Å; R551-E555 IonicContact CZ-OE1 3.04Å; R551-E555 IonicContact NE-OE1 3.47Å; R551-E555 PolarHBondContact NE-OE1 3.45Å; R551-E555 IonicContact NH2-OE1 2.66Å; R551-E555 WeakPolarHBondContact O-CG 3.45Å; R551-E555 PolarHBondContact O-N 3.08Å |
| 552 | R | 67.8 | Low | 62.7 | Low | 142 Ų | 142 | 117.6 Ų | 117.6 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 176.4 | -66.4 | -175 | -167 | 127.3 | 15.1 | 112.4 | E548 Q549 E555 M556 | E548-R552 PolarHBondContact O-N 2.95Å; E548-R552 IonicContact OE2-CZ 3.05Å; E548-R552 IonicContact OE2-NH2 3.54Å; E548-R552 PolarHBondContact OE2-NH2 3.01Å; Q549-R552 PolarHBondContact O-N 3.37Å; R552-E555 PolarHBondContact O-N 3.44Å; R552-M556 WeakPolarHBondContact O-CB 3.37Å; R552-M556 PolarHBondContact O-N 3.4Å |
| 553 | E | 60.8 | Low | 62.5 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 176 | -168.7 | 178.9 | -166.7 | 0 | 0 | 112.2 | Q549 R551 Q557 | Q549-E553 WeakPolarHBondContact O-CB 3.48Å; Q549-E553 PolarHBondContact O-N 2.91Å; R551-E553 VanDerWaalsContact C-N 3.32Å; R551-E553 PolarHBondContact O-N 3.4Å; E553-Q557 WeakPolarHBondContact O-CB 3.44Å; E553-Q557 WeakPolarHBondContact O-CG 3.36Å; E553-Q557 PolarHBondContact O-N 3.36Å |
| 554 | R | 63 | Low | 62.4 | Low | 141 Ų | 141 | 114.8 Ų | 114.8 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 174.7 | -81.2 | -171.7 | -116.4 | 100.5 | -2.1 | 112.8 | K550 R551 Q557 Q558 | K550-R554 WeakPolarHBondContact O-CG 3.26Å; K550-R554 PolarHBondContact O-N 2.92Å; R551-R554 PolarHBondContact O-N 3.47Å; R554-Q557 PolarHBondContact O-N 2.95Å; R554-Q558 PolarHBondContact O-N 3.48Å |
| 555 | E | 68.8 | Low | 62 | Low | 94 Ų | 94 | 115.3 Ų | 115.3 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.4 | -71.7 | 164.7 | -171.1 | 0 | 0 | 109.9 | R551 R552 Q557 Q558 E559 | R551-E555 IonicContact CZ-OE1 3.04Å; R551-E555 IonicContact NE-OE1 3.47Å; R551-E555 PolarHBondContact NE-OE1 3.45Å; R551-E555 IonicContact NH2-OE1 2.66Å; R551-E555 WeakPolarHBondContact O-CG 3.45Å; R551-E555 PolarHBondContact O-N 3.08Å; R552-E555 PolarHBondContact O-N 3.44Å; E555-Q557 PolarHBondContact O-N 2.95Å; E555-Q558 PolarHBondContact O-N 3.21Å; E555-E559 PolarHBondContact O-N 2.89Å; E555-E559 VanDerWaalsContact O-N 3.09Å |
| 556 | M | 62.6 | Low | 61.2 | Low | 119 Ų | 119 | 116.2 Ų | 116.2 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.7 | -37 | 175.2 | -84.3 | -173.3 | -77.6 | 0 | 0 | 113.9 | R552 E559 M560 | R552-M556 WeakPolarHBondContact O-CB 3.37Å; R552-M556 PolarHBondContact O-N 3.4Å; M556-E559 PolarHBondContact O-N 3.01Å; M556-M560 VanDerWaalsContact O-CB 3.27Å; M556-M560 WeakPolarHBondContact O-CB 3.47Å; M556-M560 PolarHBondContact O-N 2.83Å |
| 557 | Q | 57.7 | Low | 60.6 | Low | 106 Ų | 106 | 115.8 Ų | 115.8 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 176.9 | -88.2 | -178.2 | -11.5 | 0 | 0 | 112.8 | E553 R554 E555 M561 | E553-Q557 WeakPolarHBondContact O-CB 3.44Å; E553-Q557 WeakPolarHBondContact O-CG 3.36Å; E553-Q557 PolarHBondContact O-N 3.36Å; R554-Q557 PolarHBondContact O-N 2.95Å; E555-Q557 PolarHBondContact O-N 2.95Å; Q557-M561 PolarHBondContact O-N 3.44Å |
| 558 | Q | 60 | Low | 60.1 | Low | 131 Ų | 131 | 120.8 Ų | 120.8 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.5 | -42.2 | 174.2 | -81.3 | -176.5 | -24 | 0 | 0 | 111.2 | R554 E555 M561 L562 | R554-Q558 PolarHBondContact O-N 3.48Å; E555-Q558 PolarHBondContact O-N 3.21Å; Q558-M561 PolarHBondContact O-N 2.77Å; Q558-L562 WeakPolarHBondContact O-CG 3.46Å; Q558-L562 PolarHBondContact O-N 3.4Å |
| 559 | E | 66.7 | Low | 59.2 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.4 | -38 | 178.4 | -159.4 | 178.3 | 174.1 | 0 | 0 | 112.1 | E555 M556 L562 R563 | E555-E559 PolarHBondContact O-N 2.89Å; E555-E559 VanDerWaalsContact O-N 3.09Å; M556-E559 PolarHBondContact O-N 3.01Å; E559-L562 PolarHBondContact O-N 3.32Å; E559-R563 WeakPolarHBondContact O-CB 3.46Å; E559-R563 PolarHBondContact O-N 3.05Å |
| 560 | M | 55.7 | Low | 58.6 | Low | 119 Ų | 119 | 123 Ų | 123 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.2 | -41.9 | 174.4 | -171.7 | 179.3 | -70.2 | 0 | 0 | 112 | M556 R563 D564 | M556-M560 VanDerWaalsContact O-CB 3.27Å; M556-M560 WeakPolarHBondContact O-CB 3.47Å; M556-M560 PolarHBondContact O-N 2.83Å; M560-R563 PolarHBondContact O-N 3.5Å; M560-D564 WeakPolarHBondContact O-CB 2.98Å; M560-D564 VanDerWaalsContact O-CG 3.29Å; M560-D564 PolarHBondContact O-N 2.82Å |
| 561 | M | 61.5 | Low | 58.2 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 61% | 0.611 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.3 | -39.6 | 175.5 | -84.4 | -167 | -93 | 0 | 0 | 112.6 | Q557 Q558 D564 E565 | Q557-M561 PolarHBondContact O-N 3.44Å; Q558-M561 PolarHBondContact O-N 2.77Å; M561-D564 PolarHBondContact O-N 3.43Å; M561-E565 WeakPolarHBondContact O-CB 3.35Å; M561-E565 PolarHBondContact O-N 3.18Å |
| 562 | L | 65.7 | Low | 57.4 | Low | 115 Ų | 115 | 123.3 Ų | 123.3 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.3 | -41.5 | 174.4 | -73.4 | 166.8 | 0 | 0 | 0 | 111.3 | Q558 E559 E565 E566 | Q558-L562 WeakPolarHBondContact O-CG 3.46Å; Q558-L562 PolarHBondContact O-N 3.4Å; E559-L562 PolarHBondContact O-N 3.32Å; L562-E565 PolarHBondContact O-N 2.89Å; L562-E566 WeakPolarHBondContact O-CB 3.5Å; L562-E566 PolarHBondContact O-N 2.95Å |
| 563 | R | 53.4 | Low | 57 | Low | 152 Ų | 152 | 123 Ų | 123 | 57% | 0.574 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66 | -38 | 174.5 | -110.1 | -170.4 | 167.7 | 104.1 | 0.3 | 113.4 | E559 M560 E565 E566 T567 | E559-R563 WeakPolarHBondContact O-CB 3.46Å; E559-R563 PolarHBondContact O-N 3.05Å; M560-R563 PolarHBondContact O-N 3.5Å; R563-E565 VanDerWaalsContact C-N 3.35Å; R563-E566 PolarHBondContact O-N 3.31Å; R563-T567 WeakPolarHBondContact O-CB 3.36Å; R563-T567 WeakPolarHBondContact O-CG2 3.43Å; R563-T567 PolarHBondContact O-N 2.81Å; R563-T567 PolarHBondContact O-OG1 2.8Å |
| 564 | D | 48.5 | Very low | 57.3 | Low | 89 Ų | 89 | 121.3 Ų | 121.3 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.7 | -35.8 | 178.1 | -76.4 | -13.6 | 0 | 0 | 0 | 111.1 | M560 M561 T567 M568 | M560-D564 WeakPolarHBondContact O-CB 2.98Å; M560-D564 VanDerWaalsContact O-CG 3.29Å; M560-D564 PolarHBondContact O-N 2.82Å; M561-D564 PolarHBondContact O-N 3.43Å; D564-T567 WeakPolarHBondContact CA-OG1 3.33Å; D564-T567 PolarHBondContact O-OG1 2.74Å; D564-M568 WeakPolarHBondContact O-CB 3.3Å; D564-M568 PolarHBondContact O-N 3.02Å |
| 565 | E | 56.6 | Low | 57.5 | Low | 130 Ų | 130 | 120.8 Ų | 120.8 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.1 | -45.7 | 171.9 | -161.9 | 164.1 | -154.3 | 0 | 0 | 110.7 | M561 L562 R563 T567 M568 E569 | M561-E565 WeakPolarHBondContact O-CB 3.35Å; M561-E565 PolarHBondContact O-N 3.18Å; L562-E565 PolarHBondContact O-N 2.89Å; R563-E565 VanDerWaalsContact C-N 3.35Å; E565-T567 PolarHBondContact O-N 3.08Å; E565-M568 PolarHBondContact O-N 3.28Å; E565-E569 WeakPolarHBondContact O-CG 3.49Å; E565-E569 PolarHBondContact O-N 2.66Å |
| 566 | E | 53.7 | Low | 57.9 | Low | 121 Ų | 121 | 119.2 Ų | 119.2 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.5 | -33.8 | 178.3 | -159 | 175.9 | -148 | 0 | 0 | 113.1 | L562 R563 E569 | L562-E566 WeakPolarHBondContact O-CB 3.5Å; L562-E566 PolarHBondContact O-N 2.95Å; R563-E566 PolarHBondContact O-N 3.31Å; E566-E569 WeakPolarHBondContact O-CB 3.24Å; E566-E569 PolarHBondContact O-N 3.19Å |
| 567 | T | 47.3 | Very low | 58.4 | Low | 78 Ų | 78 | 119.7 Ų | 119.7 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -81.5 | -28.9 | 178.2 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | R563 D564 E565 E569 L570 | R563-T567 WeakPolarHBondContact O-CB 3.36Å; R563-T567 WeakPolarHBondContact O-CG2 3.43Å; R563-T567 PolarHBondContact O-N 2.81Å; R563-T567 PolarHBondContact O-OG1 2.8Å; D564-T567 WeakPolarHBondContact CA-OG1 3.33Å; D564-T567 PolarHBondContact O-OG1 2.74Å; E565-T567 PolarHBondContact O-N 3.08Å; T567-E569 PolarHBondContact O-N 3.48Å; T567-L570 PolarHBondContact O-N 3.25Å |
| 568 | M | 51.3 | Low | 59.2 | Low | 161 Ų | 161 | 121.2 Ų | 121.2 | 79% | 0.793 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.7 | -27.7 | 167 | -91.3 | -174.9 | 108.4 | 0 | 0 | 112.1 | D564 E565 | D564-M568 WeakPolarHBondContact O-CB 3.3Å; D564-M568 PolarHBondContact O-N 3.02Å; E565-M568 PolarHBondContact O-N 3.28Å |
| 569 | E | 53 | Low | 60 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.8 | -33.7 | 177.7 | -72.7 | 176.7 | 167.8 | 0 | 0 | 113.3 | E565 E566 T567 R571 | E565-E569 WeakPolarHBondContact O-CG 3.49Å; E565-E569 PolarHBondContact O-N 2.66Å; E566-E569 WeakPolarHBondContact O-CB 3.24Å; E566-E569 PolarHBondContact O-N 3.19Å; T567-E569 PolarHBondContact O-N 3.48Å; E569-R571 PolarHBondContact O-N 3.36Å |
| 570 | L | 49.5 | Very low | 60.4 | Low | 149 Ų | 149 | 116.1 Ų | 116.1 | 78% | 0.78 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.9 | -14 | 179.2 | -97.9 | 127.6 | 0 | 0 | 0 | 114.5 | T567 | T567-L570 PolarHBondContact O-N 3.25Å |
| 571 | R | 50.6 | Low | 61.6 | Low | 227 Ų | 227 | 114.4 Ų | 114.4 | 86% | 0.857 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 3.8 | -171.6 | -123.3 | -175.7 | -159 | -161.7 | 6.7 | 115.9 | E569 T573 | E569-R571 PolarHBondContact O-N 3.36Å; R571-T573 PolarHBondContact O-N 3.27Å |
| 572 | G | 52.2 | Low | 62.3 | Low | 37 Ų | 37 | 114 Ų | 114 | 38% | 0.381 | 58% | 0.575 | S | S | . | * | trans | -91.3 | 86.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y574 | G572-Y574 WeakPolarHBondContact O-CD2 3.29Å; G572-Y574 VanDerWaalsContact O-CE2 3.31Å; G572-Y574 WeakPolarHBondContact O-CE2 3.4Å; G572-Y574 PolarHBondContact O-N 2.98Å | ||
| 573 | T | 57.9 | Low | 62.8 | Low | 137 Ų | 137 | 110.8 Ų | 110.8 | 84% | 0.84 | 56% | 0.561 | S | S | * | * | trans | -73 | 115.4 | 167.6 | 44.9 | 0 | 0 | 0 | 0 | 109.1 | R571 | R571-T573 PolarHBondContact O-N 3.27Š| ||
| 574 | Y | 67.2 | Low | 64 | Low | 71 Ų | 71 | 108.8 Ų | 108.8 | 28% | 0.278 | 56% | 0.556 | S | S | . | * | trans | -85.4 | 132.4 | 177.2 | -54.9 | -78.4 | 0 | 0 | 0 | 109.6 | G572 S576 E580 V583 | G572-Y574 WeakPolarHBondContact O-CD2 3.29Å; G572-Y574 VanDerWaalsContact O-CE2 3.31Å; G572-Y574 WeakPolarHBondContact O-CE2 3.4Å; G572-Y574 PolarHBondContact O-N 2.98Å; Y574-S576 VanDerWaalsContact C-N 3.32Å; Y574-E580 HydrophobicContact CD1-CB 3.86Å; Y574-E580 HydrophobicContact CD1-CG 4.14Å; Y574-E580 HydrophobicContact CD2-CB 3.9Å; Y574-E580 HydrophobicContact CD2-CG 3.55Å; Y574-E580 HydrophobicContact CE1-CB 4.39Å; Y574-E580 HydrophobicContact CE1-CG 4.27Å; Y574-E580 HydrophobicContact CE2-CB 4.44Å; Y574-E580 HydrophobicContact CE2-CG 3.72Å; Y574-E580 HydrophobicContact CG-CB 3.59Å; Y574-E580 HydrophobicContact CG-CG 3.8Å; Y574-V583 HydrophobicContact CE1-CB 4.14Å; Y574-V583 HydrophobicContact CE1-CG1 4.1Å | ||
| 575 | T | 66.8 | Low | 65.5 | Low | 130 Ų | 130 | 107.5 Ų | 107.5 | 80% | 0.798 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -82.1 | -12.2 | 179.9 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | Q579 | T575-Q579 PolarHBondContact OG1-OE1 3.22Š|
| 576 | S | 77.2 | Confident | 66.5 | Low | 61 Ų | 61 | 107.7 Ų | 107.7 | 43% | 0.427 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -156.7 | 148.3 | 178.6 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | Y574 Q578 Q579 E580 | Y574-S576 VanDerWaalsContact C-N 3.32Å; S576-Q578 VanDerWaalsContact C-N 3.26Å; S576-Q578 PolarHBondContact O-N 2.66Å; S576-Q578 PolarHBondContact OG-N 3.47Å; S576-Q579 WeakPolarHBondContact O-CB 3.46Å; S576-Q579 PolarHBondContact O-N 3.34Å; S576-Q579 VanDerWaalsContact O-N 3.17Å; S576-E580 PolarHBondContact O-N 3.32Å; S576-E580 VanDerWaalsContact O-N 3.14Å |
| 577 | L | 74.3 | Confident | 67.5 | Low | 130 Ų | 130 | 106.7 Ų | 106.7 | 68% | 0.681 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.8 | -36.3 | 176.9 | -135.3 | 98.2 | 0 | 0 | 0 | 112 | E580 V581 | L577-E580 WeakPolarHBondContact O-CB 3.19Å; L577-E580 PolarHBondContact O-N 3.27Å; L577-V581 WeakPolarHBondContact O-CG2 3.45Å; L577-V581 PolarHBondContact O-N 3.43Å |
| 578 | Q | 74.6 | Confident | 68.9 | Low | 138 Ų | 138 | 108.7 Ų | 108.7 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.2 | -41.7 | 177.2 | -115.9 | 72 | 14.4 | 0 | 0 | 112 | S576 E580 V581 E582 | S576-Q578 VanDerWaalsContact C-N 3.26Å; S576-Q578 PolarHBondContact O-N 2.66Å; S576-Q578 PolarHBondContact OG-N 3.47Å; Q578-E580 VanDerWaalsContact C-N 3.33Å; Q578-V581 PolarHBondContact O-N 2.81Å; Q578-E582 PolarHBondContact O-N 2.95Å |
| 579 | Q | 75.6 | Confident | 70.2 | Confident | 87 Ų | 87 | 108.3 Ų | 108.3 | 41% | 0.407 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 179.2 | -167.4 | -176.5 | 22 | 0 | 0 | 111 | T575 S576 V583 | T575-Q579 PolarHBondContact OG1-OE1 3.22Å; S576-Q579 WeakPolarHBondContact O-CB 3.46Å; S576-Q579 PolarHBondContact O-N 3.34Å; S576-Q579 VanDerWaalsContact O-N 3.17Å; Q579-V583 WeakPolarHBondContact O-CB 3.36Å; Q579-V583 VanDerWaalsContact O-CG2 3.24Å; Q579-V583 WeakPolarHBondContact O-CG2 3.5Å; Q579-V583 PolarHBondContact O-N 2.95Å |
| 580 | E | 76.7 | Confident | 70.9 | Confident | 52 Ų | 52 | 109.4 Ų | 109.4 | 24% | 0.243 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 173.6 | -175.7 | 173.8 | -178.1 | 0 | 0 | 111.8 | Y574 S576 L577 Q578 E582 V583 K584 | Y574-E580 HydrophobicContact CD1-CB 3.86Å; Y574-E580 HydrophobicContact CD1-CG 4.14Å; Y574-E580 HydrophobicContact CD2-CB 3.9Å; Y574-E580 HydrophobicContact CD2-CG 3.55Å; Y574-E580 HydrophobicContact CE1-CB 4.39Å; Y574-E580 HydrophobicContact CE1-CG 4.27Å; Y574-E580 HydrophobicContact CE2-CB 4.44Å; Y574-E580 HydrophobicContact CE2-CG 3.72Å; Y574-E580 HydrophobicContact CG-CB 3.59Å; Y574-E580 HydrophobicContact CG-CG 3.8Å; S576-E580 PolarHBondContact O-N 3.32Å; S576-E580 VanDerWaalsContact O-N 3.14Å; L577-E580 WeakPolarHBondContact O-CB 3.19Å; L577-E580 PolarHBondContact O-N 3.27Å; Q578-E580 VanDerWaalsContact C-N 3.33Å; E580-E582 PolarHBondContact O-N 2.82Å; E580-V583 PolarHBondContact O-N 3.38Å; E580-K584 HydrophobicContact CG-CD 4.03Å; E580-K584 HydrophobicContact CG-CG 4.43Å; E580-K584 VanDerWaalsContact O-CB 3.3Å; E580-K584 WeakPolarHBondContact O-CB 3.26Å; E580-K584 VanDerWaalsContact O-CG 3.31Å; E580-K584 WeakPolarHBondContact O-CG 3.12Å; E580-K584 PolarHBondContact O-N 2.9Å; E580-K584 WeakPolarHBondContact OE1-CE 3.4Å; E580-K584 IonicContact OE1-NZ 2.86Å; E580-K584 PolarHBondContact OE1-NZ 3.04Å |
| 581 | V | 79 | Confident | 72 | Confident | 83 Ų | 83 | 107.5 Ų | 107.5 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | L577 Q578 K584 T585 | L577-V581 WeakPolarHBondContact O-CG2 3.45Å; L577-V581 PolarHBondContact O-N 3.43Å; Q578-V581 PolarHBondContact O-N 2.81Å; V581-K584 PolarHBondContact O-N 3.38Å; V581-T585 VanDerWaalsContact O-CB 3.26Å; V581-T585 WeakPolarHBondContact O-CB 3.33Å; V581-T585 PolarHBondContact O-N 3.47Å; V581-T585 PolarHBondContact O-OG1 2.73Å |
| 582 | E | 76.8 | Confident | 73.4 | Confident | 115 Ų | 115 | 103.2 Ų | 103.2 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.1 | -78.6 | -172.7 | -173.9 | 0 | 0 | 112.9 | Q578 E580 T585 K586 | Q578-E582 PolarHBondContact O-N 2.95Å; E580-E582 PolarHBondContact O-N 2.82Å; E582-T585 PolarHBondContact O-N 2.61Å; E582-K586 WeakPolarHBondContact O-CB 3.43Å; E582-K586 WeakPolarHBondContact O-CG 3.49Å; E582-K586 PolarHBondContact O-N 3.4Å |
| 583 | V | 76.9 | Confident | 74.5 | Confident | 48 Ų | 48 | 104.2 Ų | 104.2 | 29% | 0.291 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | Y574 Q579 E580 T585 K586 K587 | Y574-V583 HydrophobicContact CE1-CB 4.14Å; Y574-V583 HydrophobicContact CE1-CG1 4.1Å; Q579-V583 WeakPolarHBondContact O-CB 3.36Å; Q579-V583 VanDerWaalsContact O-CG2 3.24Å; Q579-V583 WeakPolarHBondContact O-CG2 3.5Å; Q579-V583 PolarHBondContact O-N 2.95Å; E580-V583 PolarHBondContact O-N 3.38Å; V583-T585 VanDerWaalsContact C-N 3.33Å; V583-T585 PolarHBondContact O-N 2.8Å; V583-K586 PolarHBondContact O-N 2.81Å; V583-K587 HydrophobicContact CG1-CD 4.26Å; V583-K587 WeakPolarHBondContact O-CB 3.43Å; V583-K587 WeakPolarHBondContact O-CG 3.2Å; V583-K587 PolarHBondContact O-N 3.34Å |
| 584 | K | 78.2 | Confident | 74.9 | Confident | 109 Ų | 109 | 104.6 Ų | 104.6 | 47% | 0.474 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 174.8 | -74.1 | -176.7 | -177 | 176.4 | 0 | 111.8 | E580 V581 K587 L588 | E580-K584 HydrophobicContact CG-CD 4.03Å; E580-K584 HydrophobicContact CG-CG 4.43Å; E580-K584 VanDerWaalsContact O-CB 3.3Å; E580-K584 WeakPolarHBondContact O-CB 3.26Å; E580-K584 VanDerWaalsContact O-CG 3.31Å; E580-K584 WeakPolarHBondContact O-CG 3.12Å; E580-K584 PolarHBondContact O-N 2.9Å; E580-K584 WeakPolarHBondContact OE1-CE 3.4Å; E580-K584 IonicContact OE1-NZ 2.86Å; E580-K584 PolarHBondContact OE1-NZ 3.04Å; V581-K584 PolarHBondContact O-N 3.38Å; K584-K587 PolarHBondContact O-N 2.94Å; K584-L588 WeakPolarHBondContact O-CB 3.5Å; K584-L588 PolarHBondContact O-N 3.46Å |
| 585 | T | 80.3 | Confident | 75.5 | Confident | 63 Ų | 63 | 105.4 Ų | 105.4 | 39% | 0.387 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | V581 E582 V583 L588 K589 | V581-T585 VanDerWaalsContact O-CB 3.26Å; V581-T585 WeakPolarHBondContact O-CB 3.33Å; V581-T585 PolarHBondContact O-N 3.47Å; V581-T585 PolarHBondContact O-OG1 2.73Å; E582-T585 PolarHBondContact O-N 2.61Å; V583-T585 VanDerWaalsContact C-N 3.33Å; V583-T585 PolarHBondContact O-N 2.8Å; T585-L588 PolarHBondContact O-N 3.48Å; T585-K589 WeakPolarHBondContact O-CG 3.34Å; T585-K589 PolarHBondContact O-N 3.1Å |
| 586 | K | 77.2 | Confident | 76.2 | Confident | 133 Ų | 133 | 104.3 Ų | 104.3 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 173.1 | -75.9 | 172.3 | -179.6 | 166.2 | 0 | 111.7 | E582 V583 K589 K590 | E582-K586 WeakPolarHBondContact O-CB 3.43Å; E582-K586 WeakPolarHBondContact O-CG 3.49Å; E582-K586 PolarHBondContact O-N 3.4Å; V583-K586 PolarHBondContact O-N 2.81Å; K586-K589 PolarHBondContact O-N 3.37Å; K586-K590 WeakPolarHBondContact O-CG 3.41Å; K586-K590 PolarHBondContact O-N 2.84Å |
| 587 | K | 74.3 | Confident | 75.6 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 174 | -75.1 | 177.6 | 177.3 | -175.5 | 0 | 111.5 | V583 K584 K589 K590 L591 | V583-K587 HydrophobicContact CG1-CD 4.26Å; V583-K587 WeakPolarHBondContact O-CB 3.43Å; V583-K587 WeakPolarHBondContact O-CG 3.2Å; V583-K587 PolarHBondContact O-N 3.34Å; K584-K587 PolarHBondContact O-N 2.94Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K587-K589 PolarHBondContact O-N 2.82Å; K587-K590 WeakPolarHBondContact O-CB 3.49Å; K587-K590 PolarHBondContact O-N 3.35Å; K587-K590 VanDerWaalsContact O-N 3.1Å; K587-L591 WeakPolarHBondContact O-CG 3.34Å; K587-L591 PolarHBondContact O-N 3.33Å |
| 588 | L | 76.9 | Confident | 75.4 | Confident | 121 Ų | 121 | 101.7 Ų | 101.7 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.5 | -43.1 | 177.3 | -171.1 | 69.6 | 0 | 0 | 0 | 111.2 | K584 T585 K590 L591 Y592 | K584-L588 WeakPolarHBondContact O-CB 3.5Å; K584-L588 PolarHBondContact O-N 3.46Å; T585-L588 PolarHBondContact O-N 3.48Å; L588-K590 PolarHBondContact O-N 3.47Å; L588-L591 PolarHBondContact O-N 2.98Å; L588-Y592 WeakPolarHBondContact O-CB 3.37Å; L588-Y592 PolarHBondContact O-N 3.38Å |
| 589 | K | 78 | Confident | 75.6 | Confident | 153 Ų | 153 | 101.4 Ų | 101.4 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 173.5 | -74.4 | -179 | 179.5 | -176.1 | 0 | 112.4 | T585 K586 K587 Y592 A593 | T585-K589 WeakPolarHBondContact O-CG 3.34Å; T585-K589 PolarHBondContact O-N 3.1Å; K586-K589 PolarHBondContact O-N 3.37Å; K587-K589 VanDerWaalsContact C-N 3.32Å; K587-K589 PolarHBondContact O-N 2.82Å; K589-Y592 PolarHBondContact O-N 2.94Å; K589-A593 WeakPolarHBondContact O-CB 3.49Å; K589-A593 PolarHBondContact O-N 3.27Å |
| 590 | K | 68.6 | Low | 75.5 | Confident | 154 Ų | 154 | 100 Ų | 100 | 67% | 0.67 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 175.9 | -74.6 | -177.5 | 179 | -175 | 0 | 112.2 | K586 K587 L588 Y592 A593 K594 | K586-K590 WeakPolarHBondContact O-CG 3.41Å; K586-K590 PolarHBondContact O-N 2.84Å; K587-K590 WeakPolarHBondContact O-CB 3.49Å; K587-K590 PolarHBondContact O-N 3.35Å; K587-K590 VanDerWaalsContact O-N 3.1Å; L588-K590 PolarHBondContact O-N 3.47Å; K590-Y592 VanDerWaalsContact C-N 3.34Å; K590-A593 PolarHBondContact O-N 3.3Å; K590-K594 WeakPolarHBondContact O-CG 3.5Å; K590-K594 PolarHBondContact O-N 3.31Å |
| 591 | L | 72.6 | Confident | 75.4 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -39.6 | 177 | -73.1 | 172.6 | 0 | 0 | 0 | 111.5 | K587 L588 K594 L595 | K587-L591 WeakPolarHBondContact O-CG 3.34Å; K587-L591 PolarHBondContact O-N 3.33Å; L588-L591 PolarHBondContact O-N 2.98Å; L591-K594 PolarHBondContact O-N 3.35Å; L591-L595 WeakPolarHBondContact O-CB 3.34Å; L591-L595 PolarHBondContact O-N 2.93Å |
| 592 | Y | 80.8 | Confident | 75.4 | Confident | 137 Ų | 137 | 103.6 Ų | 103.6 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 175.6 | -171.9 | -94.4 | 0 | 0 | 0 | 112.1 | L588 K589 K590 L595 Q596 | L588-Y592 WeakPolarHBondContact O-CB 3.37Å; L588-Y592 PolarHBondContact O-N 3.38Å; K589-Y592 PolarHBondContact O-N 2.94Å; K590-Y592 VanDerWaalsContact C-N 3.34Å; Y592-L595 PolarHBondContact O-N 2.95Å; Y592-Q596 HydrophobicContact CD1-CG 4.29Å; Y592-Q596 HydrophobicContact CE1-CG 3.89Å; Y592-Q596 PolarHBondContact O-N 3.34Å; Y592-Q596 PolarHBondContact OH-NE2 3.11Å |
| 593 | A | 74.4 | Confident | 75.6 | Confident | 59 Ų | 59 | 103 Ų | 103 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | K589 K590 Q596 A597 | K589-A593 WeakPolarHBondContact O-CB 3.49Å; K589-A593 PolarHBondContact O-N 3.27Å; K590-A593 PolarHBondContact O-N 3.3Å; A593-Q596 PolarHBondContact O-N 2.92Å; A593-A597 WeakPolarHBondContact O-CB 3.16Å; A593-A597 PolarHBondContact O-N 3.32Å |
| 594 | K | 67.3 | Low | 75.5 | Confident | 145 Ų | 145 | 103.4 Ų | 103.4 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61 | -44.4 | 172.8 | -73.4 | -177.8 | 178.1 | -173.1 | 0 | 111.6 | K590 L591 Q596 A597 V598 | K590-K594 WeakPolarHBondContact O-CG 3.5Å; K590-K594 PolarHBondContact O-N 3.31Å; L591-K594 PolarHBondContact O-N 3.35Å; K594-Q596 VanDerWaalsContact C-N 3.35Å; K594-Q596 PolarHBondContact O-N 3.36Å; K594-A597 PolarHBondContact O-N 2.65Å; K594-V598 WeakPolarHBondContact O-CG2 3.12Å; K594-V598 PolarHBondContact O-N 2.77Å |
| 595 | L | 79.4 | Confident | 75.1 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 177.2 | -178.4 | 71.2 | 0 | 0 | 0 | 111.5 | L591 Y592 V598 K599 | L591-L595 WeakPolarHBondContact O-CB 3.34Å; L591-L595 PolarHBondContact O-N 2.93Å; Y592-L595 PolarHBondContact O-N 2.95Å; L595-V598 PolarHBondContact O-N 2.77Å; L595-K599 HydrophobicContact CG-CD 4.5Å; L595-K599 WeakPolarHBondContact O-CB 3.42Å; L595-K599 WeakPolarHBondContact O-CG 3.43Å; L595-K599 PolarHBondContact O-N 3.41Å |
| 596 | Q | 80.3 | Confident | 75.1 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 175.4 | -79.1 | -149.1 | -8.4 | 0 | 0 | 112.3 | Y592 A593 K594 V598 K599 A600 | Y592-Q596 HydrophobicContact CD1-CG 4.29Å; Y592-Q596 HydrophobicContact CE1-CG 3.89Å; Y592-Q596 PolarHBondContact O-N 3.34Å; Y592-Q596 PolarHBondContact OH-NE2 3.11Å; A593-Q596 PolarHBondContact O-N 2.92Å; K594-Q596 VanDerWaalsContact C-N 3.35Å; K594-Q596 PolarHBondContact O-N 3.36Å; Q596-V598 PolarHBondContact O-N 2.98Å; Q596-K599 PolarHBondContact O-N 3.42Å; Q596-A600 WeakPolarHBondContact O-CB 3.45Å; Q596-A600 PolarHBondContact O-N 2.91Å |
| 597 | A | 64.5 | Low | 75.2 | Confident | 60 Ų | 60 | 101.8 Ų | 101.8 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A593 K594 A600 E601 | A593-A597 WeakPolarHBondContact O-CB 3.16Å; A593-A597 PolarHBondContact O-N 3.32Å; K594-A597 PolarHBondContact O-N 2.65Å; A597-A600 PolarHBondContact O-N 3.37Å; A597-E601 WeakPolarHBondContact O-CB 3.46Å; A597-E601 PolarHBondContact O-N 3.23Å |
| 598 | V | 71.6 | Confident | 75 | Confident | 75 Ų | 75 | 100.6 Ų | 100.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.4 | K594 L595 Q596 A600 E601 I602 | K594-V598 WeakPolarHBondContact O-CG2 3.12Å; K594-V598 PolarHBondContact O-N 2.77Å; L595-V598 PolarHBondContact O-N 2.77Å; Q596-V598 PolarHBondContact O-N 2.98Å; V598-A600 PolarHBondContact O-N 3.49Å; V598-E601 PolarHBondContact O-N 3.11Å; V598-I602 HydrophobicContact CG1-CD1 3.93Å; V598-I602 HydrophobicContact CG1-CG1 4.44Å; V598-I602 VanDerWaalsContact O-CG1 3.28Å; V598-I602 WeakPolarHBondContact O-CG1 3.37Å; V598-I602 PolarHBondContact O-N 3.49Å |
| 599 | K | 78.8 | Confident | 75 | Confident | 133 Ų | 133 | 102 Ų | 102 | 58% | 0.578 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 174.6 | -79.1 | -178.1 | 177.4 | -172 | 0 | 112.2 | L595 Q596 E601 I602 Q603 | L595-K599 HydrophobicContact CG-CD 4.5Å; L595-K599 WeakPolarHBondContact O-CB 3.42Å; L595-K599 WeakPolarHBondContact O-CG 3.43Å; L595-K599 PolarHBondContact O-N 3.41Å; Q596-K599 PolarHBondContact O-N 3.42Å; K599-E601 VanDerWaalsContact C-N 3.34Å; K599-I602 PolarHBondContact O-N 2.86Å; K599-Q603 PolarHBondContact O-N 3.47Å |
| 600 | A | 72.6 | Confident | 75.3 | Confident | 56 Ų | 56 | 97.7 Ų | 97.7 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q596 A597 V598 Q603 D604 | Q596-A600 WeakPolarHBondContact O-CB 3.45Å; Q596-A600 PolarHBondContact O-N 2.91Å; A597-A600 PolarHBondContact O-N 3.37Å; V598-A600 PolarHBondContact O-N 3.49Å; A600-Q603 PolarHBondContact O-N 2.99Å; A600-D604 WeakPolarHBondContact O-CB 3.34Å; A600-D604 PolarHBondContact O-N 3.46Å |
| 601 | E | 75.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175 | -173.3 | 174.9 | -171.4 | 0 | 0 | 112.2 | A597 V598 K599 Q603 D604 Q605 | A597-E601 WeakPolarHBondContact O-CB 3.46Å; A597-E601 PolarHBondContact O-N 3.23Å; V598-E601 PolarHBondContact O-N 3.11Å; K599-E601 VanDerWaalsContact C-N 3.34Å; E601-Q603 VanDerWaalsContact C-N 3.33Å; E601-Q603 PolarHBondContact O-N 3.12Å; E601-D604 PolarHBondContact O-N 3.39Å; E601-Q605 WeakPolarHBondContact O-CB 3.33Å; E601-Q605 WeakPolarHBondContact O-CG 2.93Å; E601-Q605 PolarHBondContact O-N 2.99Å |
| 602 | I | 78.9 | Confident | 75.5 | Confident | 100 Ų | 100 | 94.3 Ų | 94.3 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.6 | -70 | 166.3 | 0 | 0 | 0 | 110.6 | V598 K599 Q605 H606 | V598-I602 HydrophobicContact CG1-CD1 3.93Å; V598-I602 HydrophobicContact CG1-CG1 4.44Å; V598-I602 VanDerWaalsContact O-CG1 3.28Å; V598-I602 WeakPolarHBondContact O-CG1 3.37Å; V598-I602 PolarHBondContact O-N 3.49Å; K599-I602 PolarHBondContact O-N 2.86Å; I602-Q605 PolarHBondContact O-N 2.84Å; I602-H606 WeakPolarHBondContact O-CB 3.18Å; I602-H606 PolarHBondContact O-N 3.45Å |
| 603 | Q | 81.8 | Confident | 75.6 | Confident | 101 Ų | 101 | 94.2 Ų | 94.2 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 177.3 | -171.7 | 64.3 | 37.5 | 0 | 0 | 111.4 | K599 A600 E601 Q605 H606 D607 | K599-Q603 PolarHBondContact O-N 3.47Å; A600-Q603 PolarHBondContact O-N 2.99Å; E601-Q603 VanDerWaalsContact C-N 3.33Å; E601-Q603 PolarHBondContact O-N 3.12Å; Q603-Q605 VanDerWaalsContact C-N 3.31Å; Q603-Q605 PolarHBondContact O-N 3.13Å; Q603-H606 WeakPolarHBondContact O-CB 3.33Å; Q603-H606 PolarHBondContact O-N 3.39Å; Q603-H606 VanDerWaalsContact O-N 3.13Å; Q603-D607 PolarHBondContact NE2-OD1 3.37Å; Q603-D607 VanDerWaalsContact NE2-OD1 3.07Å; Q603-D607 VanDerWaalsContact O-CG 3.32Å; Q603-D607 PolarHBondContact O-N 3.15Å |
| 604 | D | 74.4 | Confident | 76.1 | Confident | 58 Ų | 58 | 96.1 Ų | 96.1 | 31% | 0.31 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 176.1 | -94 | 2.5 | 0 | 0 | 0 | 111.3 | K56 R357 A600 E601 D607 E608 | K56-D604 IonicContact NZ-OD2 3.46Å; R357-D604 IonicContact CZ-OD2 2.85Å; R357-D604 IonicContact NH2-OD1 2.77Å; R357-D604 IonicContact NH2-OD2 3.4Å; R357-D604 PolarHBondContact NH2-OD2 3.49Å; A600-D604 WeakPolarHBondContact O-CB 3.34Å; A600-D604 PolarHBondContact O-N 3.46Å; E601-D604 PolarHBondContact O-N 3.39Å; D604-D607 PolarHBondContact O-N 3.3Å; D604-E608 WeakPolarHBondContact O-CB 3.28Å; D604-E608 PolarHBondContact O-N 2.67Å |
| 605 | Q | 68.9 | Low | 76.4 | Confident | 118 Ų | 118 | 92.5 Ų | 92.5 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 175.6 | -76.5 | -174.6 | -11.9 | 0 | 0 | 112.3 | E601 I602 Q603 E608 Y609 | E601-Q605 WeakPolarHBondContact O-CB 3.33Å; E601-Q605 WeakPolarHBondContact O-CG 2.93Å; E601-Q605 PolarHBondContact O-N 2.99Å; I602-Q605 PolarHBondContact O-N 2.84Å; Q603-Q605 VanDerWaalsContact C-N 3.31Å; Q603-Q605 PolarHBondContact O-N 3.13Å; Q605-E608 PolarHBondContact O-N 3.32Å; Q605-Y609 WeakPolarHBondContact O-CB 3.42Å; Q605-Y609 PolarHBondContact O-N 3.08Å |
| 606 | H | 80.1 | Confident | 76.3 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.8 | -170 | 67.8 | 0 | 0 | 0 | 111.5 | I602 Q603 E608 Y609 I610 | I602-H606 WeakPolarHBondContact O-CB 3.18Å; I602-H606 PolarHBondContact O-N 3.45Å; Q603-H606 WeakPolarHBondContact O-CB 3.33Å; Q603-H606 PolarHBondContact O-N 3.39Å; Q603-H606 VanDerWaalsContact O-N 3.13Å; H606-E608 VanDerWaalsContact C-N 3.34Å; H606-E608 PolarHBondContact O-N 2.97Å; H606-Y609 WeakPolarHBondContact O-CB 3.45Å; H606-Y609 PolarHBondContact O-N 2.95Å; H606-I610 WeakPolarHBondContact O-CG1 3.3Å; H606-I610 PolarHBondContact O-N 3.38Å |
| 607 | D | 79.6 | Confident | 76.5 | Confident | 55 Ų | 55 | 92.5 Ų | 92.5 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 177.6 | -65.2 | -11.1 | 0 | 0 | 0 | 111.9 | Q603 D604 R611 | Q603-D607 PolarHBondContact NE2-OD1 3.37Å; Q603-D607 VanDerWaalsContact NE2-OD1 3.07Å; Q603-D607 VanDerWaalsContact O-CG 3.32Å; Q603-D607 PolarHBondContact O-N 3.15Å; D604-D607 PolarHBondContact O-N 3.3Å; D607-R611 WeakPolarHBondContact O-CB 3.35Å; D607-R611 WeakPolarHBondContact O-CG 3.44Å; D607-R611 PolarHBondContact O-N 3.17Å; D607-R611 PolarHBondContact O-NE 2.87Å |
| 608 | E | 71.1 | Confident | 77.6 | Confident | 75 Ų | 75 | 95.7 Ų | 95.7 | 35% | 0.35 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 170.4 | -173 | 174.4 | 178.1 | 0 | 0 | 110.9 | R361 D604 Q605 H606 I610 R611 V612 | R361-E608 IonicContact NH1-OE1 2.7Å; D604-E608 WeakPolarHBondContact O-CB 3.28Å; D604-E608 PolarHBondContact O-N 2.67Å; Q605-E608 PolarHBondContact O-N 3.32Å; H606-E608 VanDerWaalsContact C-N 3.34Å; H606-E608 PolarHBondContact O-N 2.97Å; E608-I610 PolarHBondContact O-N 3.35Å; E608-R611 PolarHBondContact O-N 3.09Å; E608-V612 HydrophobicContact CG-CG2 4.46Å; E608-V612 WeakPolarHBondContact O-CG2 3.35Å; E608-V612 PolarHBondContact O-N 3.25Å |
| 609 | Y | 77.1 | Confident | 77.8 | Confident | 149 Ų | 149 | 94.2 Ų | 94.2 | 58% | 0.584 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 176.8 | 177.5 | -96.7 | 0 | 0 | 0 | 112.3 | Q605 H606 R611 V612 R613 | Q605-Y609 WeakPolarHBondContact O-CB 3.42Å; Q605-Y609 PolarHBondContact O-N 3.08Å; H606-Y609 WeakPolarHBondContact O-CB 3.45Å; H606-Y609 PolarHBondContact O-N 2.95Å; Y609-R611 VanDerWaalsContact C-N 3.32Å; Y609-R611 PolarHBondContact O-N 3.03Å; Y609-V612 PolarHBondContact O-N 3.32Å; Y609-R613 WeakPolarHBondContact O-CB 3.45Å; Y609-R613 PolarHBondContact O-N 3.11Å |
| 610 | I | 83.1 | Confident | 78.2 | Confident | 64 Ų | 64 | 93.8 Ų | 93.8 | 33% | 0.328 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 176.3 | -70.2 | 167.9 | 0 | 0 | 0 | 110.6 | H606 E608 R613 Q614 | H606-I610 WeakPolarHBondContact O-CG1 3.3Å; H606-I610 PolarHBondContact O-N 3.38Å; E608-I610 PolarHBondContact O-N 3.35Å; I610-R613 WeakPolarHBondContact O-CB 3.46Å; I610-R613 PolarHBondContact O-N 2.89Å; I610-Q614 WeakPolarHBondContact O-CG 3.4Å; I610-Q614 PolarHBondContact O-N 3.41Å |
| 611 | R | 76.8 | Confident | 79 | Confident | 126 Ų | 126 | 95.6 Ų | 95.6 | 48% | 0.475 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 178.3 | -80.1 | 179.5 | -83.4 | -142.3 | -3.3 | 112.2 | D607 E608 Y609 R613 Q614 D615 | D607-R611 WeakPolarHBondContact O-CB 3.35Å; D607-R611 WeakPolarHBondContact O-CG 3.44Å; D607-R611 PolarHBondContact O-N 3.17Å; D607-R611 PolarHBondContact O-NE 2.87Å; E608-R611 PolarHBondContact O-N 3.09Å; Y609-R611 VanDerWaalsContact C-N 3.32Å; Y609-R611 PolarHBondContact O-N 3.03Å; R611-R613 VanDerWaalsContact C-N 3.27Å; R611-R613 PolarHBondContact O-N 3.3Å; R611-Q614 PolarHBondContact O-N 3.38Å; R611-D615 PolarHBondContact O-N 3.24Å |
| 612 | V | 69.9 | Low | 79.5 | Confident | 65 Ų | 65 | 97 Ų | 97 | 39% | 0.394 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | E608 Y609 D615 L616 | E608-V612 HydrophobicContact CG-CG2 4.46Å; E608-V612 WeakPolarHBondContact O-CG2 3.35Å; E608-V612 PolarHBondContact O-N 3.25Å; Y609-V612 PolarHBondContact O-N 3.32Å; V612-D615 PolarHBondContact O-N 3.34Å; V612-L616 HydrophobicContact CG1-CD1 4.07Å; V612-L616 HydrophobicContact CG1-CG 4.46Å; V612-L616 VanDerWaalsContact O-CG 3.3Å; V612-L616 WeakPolarHBondContact O-CG 3.41Å; V612-L616 PolarHBondContact O-N 3.01Å |
| 613 | R | 82.8 | Confident | 79.9 | Confident | 135 Ų | 135 | 98.6 Ų | 98.6 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.8 | -159 | -169.2 | 103.2 | 174.5 | 6.2 | 111.8 | Y609 I610 R611 L616 E617 | Y609-R613 WeakPolarHBondContact O-CB 3.45Å; Y609-R613 PolarHBondContact O-N 3.11Å; I610-R613 WeakPolarHBondContact O-CB 3.46Å; I610-R613 PolarHBondContact O-N 2.89Å; R611-R613 VanDerWaalsContact C-N 3.27Å; R611-R613 PolarHBondContact O-N 3.3Å; R613-L616 PolarHBondContact O-N 3.4Å; R613-E617 IonicContact CZ-OE1 2.94Å; R613-E617 VanDerWaalsContact CZ-OE1 3.23Å; R613-E617 IonicContact NE-OE1 2.93Å; R613-E617 PolarHBondContact NE-OE1 3.5Å; R613-E617 IonicContact NH2-OE1 3.68Å; R613-E617 PolarHBondContact NH2-OE1 2.89Å; R613-E617 WeakPolarHBondContact O-CG 3.38Å; R613-E617 PolarHBondContact O-N 3.38Å |
| 614 | Q | 84.1 | Confident | 80.3 | Confident | 99 Ų | 99 | 96.2 Ų | 96.2 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 176.2 | -73 | 172.6 | -13.1 | 0 | 0 | 111.6 | I610 R611 L616 E617 E618 | I610-Q614 WeakPolarHBondContact O-CG 3.4Å; I610-Q614 PolarHBondContact O-N 3.41Å; R611-Q614 PolarHBondContact O-N 3.38Å; Q614-L616 VanDerWaalsContact C-N 3.28Å; Q614-L616 PolarHBondContact O-N 2.89Å; Q614-E617 PolarHBondContact O-N 3.47Å; Q614-E618 WeakPolarHBondContact O-CG 3.45Å; Q614-E618 PolarHBondContact O-N 2.89Å |
| 615 | D | 72.8 | Confident | 81 | Confident | 69 Ų | 69 | 102.6 Ų | 102.6 | 37% | 0.369 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 176.5 | -71.9 | -7 | 0 | 0 | 0 | 111.1 | R252 R611 V612 E618 A619 | R252-D615 IonicContact CZ-OD2 3.23Å; R252-D615 IonicContact NH1-OD2 2.78Å; R252-D615 PolarHBondContact NH1-OD2 3.49Å; R611-D615 PolarHBondContact O-N 3.24Å; V612-D615 PolarHBondContact O-N 3.34Å; D615-E618 PolarHBondContact O-N 3.27Å; D615-A619 WeakPolarHBondContact O-CB 3.36Å; D615-A619 PolarHBondContact O-N 3.22Å |
| 616 | L | 77.1 | Confident | 82 | Confident | 117 Ų | 117 | 101.3 Ų | 101.3 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.6 | -40.6 | 177.2 | -71.6 | 172.8 | 0 | 0 | 0 | 112.8 | V612 R613 Q614 E618 A619 Q620 | V612-L616 HydrophobicContact CG1-CD1 4.07Å; V612-L616 HydrophobicContact CG1-CG 4.46Å; V612-L616 VanDerWaalsContact O-CG 3.3Å; V612-L616 WeakPolarHBondContact O-CG 3.41Å; V612-L616 PolarHBondContact O-N 3.01Å; R613-L616 PolarHBondContact O-N 3.4Å; Q614-L616 VanDerWaalsContact C-N 3.28Å; Q614-L616 PolarHBondContact O-N 2.89Å; L616-E618 VanDerWaalsContact C-N 3.33Å; L616-A619 PolarHBondContact O-N 2.88Å; L616-Q620 WeakPolarHBondContact O-CB 3.35Å; L616-Q620 PolarHBondContact O-N 3.35Å |
| 617 | E | 85.5 | Confident | 82.4 | Confident | 77 Ų | 77 | 101 Ų | 101 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.3 | -76.6 | 174.3 | -165.2 | 0 | 0 | 111.2 | R613 Q614 Q620 N621 | R613-E617 IonicContact CZ-OE1 2.94Å; R613-E617 VanDerWaalsContact CZ-OE1 3.23Å; R613-E617 IonicContact NE-OE1 2.93Å; R613-E617 PolarHBondContact NE-OE1 3.5Å; R613-E617 IonicContact NH2-OE1 3.68Å; R613-E617 PolarHBondContact NH2-OE1 2.89Å; R613-E617 WeakPolarHBondContact O-CG 3.38Å; R613-E617 PolarHBondContact O-N 3.38Å; Q614-E617 PolarHBondContact O-N 3.47Å; E617-Q620 PolarHBondContact O-N 3.46Å; E617-N621 WeakPolarHBondContact O-CB 3.49Å; E617-N621 VanDerWaalsContact O-CG 3.24Å; E617-N621 PolarHBondContact O-N 2.89Å; E617-N621 PolarHBondContact O-ND2 3.39Å; E617-N621 VanDerWaalsContact O-ND2 3.07Å |
| 618 | E | 86.8 | Confident | 82.9 | Confident | 127 Ų | 127 | 105.1 Ų | 105.1 | 59% | 0.593 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -46.9 | 174.8 | -73.6 | -176.3 | -176.6 | 0 | 0 | 111.9 | Q614 D615 L616 Q620 N621 E622 | Q614-E618 WeakPolarHBondContact O-CG 3.45Å; Q614-E618 PolarHBondContact O-N 2.89Å; D615-E618 PolarHBondContact O-N 3.27Å; L616-E618 VanDerWaalsContact C-N 3.33Å; E618-Q620 VanDerWaalsContact C-N 3.33Å; E618-Q620 PolarHBondContact O-N 3.48Å; E618-N621 WeakPolarHBondContact O-CB 3.46Å; E618-N621 PolarHBondContact O-N 2.9Å; E618-N621 VanDerWaalsContact O-N 3.16Å; E618-E622 PolarHBondContact O-N 3Å |
| 619 | A | 76.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 106.4 Ų | 106.4 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | D615 L616 N621 E622 Q623 | D615-A619 WeakPolarHBondContact O-CB 3.36Å; D615-A619 PolarHBondContact O-N 3.22Å; L616-A619 PolarHBondContact O-N 2.88Å; A619-N621 VanDerWaalsContact C-N 3.33Å; A619-N621 PolarHBondContact O-N 2.95Å; A619-E622 PolarHBondContact O-N 3.48Å; A619-Q623 WeakPolarHBondContact O-CB 3.4Å; A619-Q623 WeakPolarHBondContact O-CG 3.26Å; A619-Q623 PolarHBondContact O-N 3.45Å |
| 620 | Q | 86.7 | Confident | 84.4 | Confident | 125 Ų | 125 | 104.4 Ų | 104.4 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 175.5 | -174.7 | -177.3 | 4.4 | 0 | 0 | 111.4 | L616 E617 E618 T624 | L616-Q620 WeakPolarHBondContact O-CB 3.35Å; L616-Q620 PolarHBondContact O-N 3.35Å; E617-Q620 PolarHBondContact O-N 3.46Å; E618-Q620 VanDerWaalsContact C-N 3.33Å; E618-Q620 PolarHBondContact O-N 3.48Å; Q620-T624 VanDerWaalsContact O-CB 3.28Å; Q620-T624 WeakPolarHBondContact O-CB 3.38Å; Q620-T624 PolarHBondContact O-N 3.01Å; Q620-T624 PolarHBondContact O-OG1 3.01Å |
| 621 | N | 89.7 | Confident | 84.6 | Confident | 94 Ų | 94 | 107.4 Ų | 107.4 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.6 | -77.4 | -36.4 | 0 | 0 | 0 | 111.9 | E617 E618 A619 T624 R625 | E617-N621 WeakPolarHBondContact O-CB 3.49Å; E617-N621 VanDerWaalsContact O-CG 3.24Å; E617-N621 PolarHBondContact O-N 2.89Å; E617-N621 PolarHBondContact O-ND2 3.39Å; E617-N621 VanDerWaalsContact O-ND2 3.07Å; E618-N621 WeakPolarHBondContact O-CB 3.46Å; E618-N621 PolarHBondContact O-N 2.9Å; E618-N621 VanDerWaalsContact O-N 3.16Å; A619-N621 VanDerWaalsContact C-N 3.33Å; A619-N621 PolarHBondContact O-N 2.95Å; N621-T624 PolarHBondContact O-N 2.89Å; N621-R625 WeakPolarHBondContact O-CG 3.36Å; N621-R625 PolarHBondContact O-N 3.23Å |
| 622 | E | 86.8 | Confident | 85.2 | Confident | 140 Ų | 140 | 106.1 Ų | 106.1 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -48.9 | 176.2 | -172.8 | 172.5 | -163.3 | 0 | 0 | 111.7 | E618 A619 T624 R625 E626 | E618-E622 PolarHBondContact O-N 3Å; A619-E622 PolarHBondContact O-N 3.48Å; E622-T624 VanDerWaalsContact C-N 3.27Å; E622-T624 PolarHBondContact O-N 3.47Å; E622-R625 WeakPolarHBondContact O-CB 3.49Å; E622-R625 PolarHBondContact O-N 2.94Å; E622-R625 VanDerWaalsContact O-N 3.1Å; E622-E626 PolarHBondContact O-N 3.37Å |
| 623 | Q | 85.6 | Confident | 86.1 | Confident | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59 | -40 | 175.4 | -73.8 | -174.8 | -17.2 | 0 | 0 | 111.8 | A619 R625 E626 L627 | A619-Q623 WeakPolarHBondContact O-CB 3.4Å; A619-Q623 WeakPolarHBondContact O-CG 3.26Å; A619-Q623 PolarHBondContact O-N 3.45Å; Q623-R625 VanDerWaalsContact C-N 3.35Å; Q623-R625 PolarHBondContact O-N 2.86Å; Q623-E626 PolarHBondContact O-N 3.06Å; Q623-L627 WeakPolarHBondContact O-CB 3.38Å; Q623-L627 PolarHBondContact O-N 2.99Å |
| 624 | T | 90.1 | Very high | 86.2 | Confident | 50 Ų | 50 | 102.9 Ų | 102.9 | 31% | 0.307 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 176.7 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | Q620 N621 E622 K628 | Q620-T624 VanDerWaalsContact O-CB 3.28Å; Q620-T624 WeakPolarHBondContact O-CB 3.38Å; Q620-T624 PolarHBondContact O-N 3.01Å; Q620-T624 PolarHBondContact O-OG1 3.01Å; N621-T624 PolarHBondContact O-N 2.89Å; E622-T624 VanDerWaalsContact C-N 3.27Å; E622-T624 PolarHBondContact O-N 3.47Å; T624-K628 HydrophobicContact CG2-CD 4.23Å; T624-K628 WeakPolarHBondContact O-CB 3.48Å; T624-K628 VanDerWaalsContact O-CG 3.27Å; T624-K628 WeakPolarHBondContact O-CG 3.37Å; T624-K628 PolarHBondContact O-N 2.87Å |
| 625 | R | 91 | Very high | 86.3 | Confident | 192 Ų | 192 | 104.7 Ų | 104.7 | 73% | 0.725 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 174.6 | -73.7 | 175.9 | -169.4 | -169.2 | 4.9 | 111.4 | N621 E622 Q623 L627 K628 L629 | N621-R625 WeakPolarHBondContact O-CG 3.36Å; N621-R625 PolarHBondContact O-N 3.23Å; E622-R625 WeakPolarHBondContact O-CB 3.49Å; E622-R625 PolarHBondContact O-N 2.94Å; E622-R625 VanDerWaalsContact O-N 3.1Å; Q623-R625 VanDerWaalsContact C-N 3.35Å; Q623-R625 PolarHBondContact O-N 2.86Å; R625-L627 VanDerWaalsContact C-N 3.34Å; R625-L627 PolarHBondContact O-N 3.33Å; R625-K628 PolarHBondContact O-N 2.81Å; R625-L629 PolarHBondContact O-N 3.36Å |
| 626 | E | 88.3 | Confident | 87 | Confident | 91 Ų | 91 | 106.7 Ų | 106.7 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 178.6 | -164.2 | -168.1 | 169.8 | 0 | 0 | 111.4 | E622 Q623 L629 K630 | E622-E626 PolarHBondContact O-N 3.37Å; Q623-E626 PolarHBondContact O-N 3.06Å; E626-L629 WeakPolarHBondContact O-CB 3.39Å; E626-L629 PolarHBondContact O-N 3.4Å; E626-K630 VanDerWaalsContact CD-NZ 3.27Å; E626-K630 WeakPolarHBondContact O-CG 3.48Å; E626-K630 PolarHBondContact O-N 3.05Å; E626-K630 WeakPolarHBondContact OE1-CE 3.38Å; E626-K630 IonicContact OE1-NZ 2.64Å; E626-K630 PolarHBondContact OE1-NZ 2.98Å; E626-K630 IonicContact OE2-NZ 2.71Å |
| 627 | L | 88.3 | Confident | 87.5 | Confident | 92 Ų | 92 | 109 Ų | 109 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 177 | -175.6 | 141.3 | 0 | 0 | 0 | 110.8 | Q623 R625 L629 K630 Y631 | Q623-L627 WeakPolarHBondContact O-CB 3.38Å; Q623-L627 PolarHBondContact O-N 2.99Å; R625-L627 VanDerWaalsContact C-N 3.34Å; R625-L627 PolarHBondContact O-N 3.33Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 3.4Å; L627-K630 PolarHBondContact O-N 3.26Å; L627-K630 VanDerWaalsContact O-N 3.13Å; L627-Y631 HydrophobicContact CD1-CE2 4.31Å; L627-Y631 HydrophobicContact CD2-CD2 3.5Å; L627-Y631 HydrophobicContact CD2-CE2 3.37Å; L627-Y631 HydrophobicContact CG-CD2 3.86Å; L627-Y631 HydrophobicContact CG-CE2 3.63Å; L627-Y631 VanDerWaalsContact O-CD2 3.23Å; L627-Y631 WeakPolarHBondContact O-CD2 3.45Å; L627-Y631 PolarHBondContact O-N 2.96Å |
| 628 | K | 91.3 | Very high | 87.5 | Confident | 141 Ų | 141 | 108.4 Ų | 108.4 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.3 | -43.3 | 173.9 | -77.9 | 173.1 | 177.6 | 177.9 | 0 | 112.3 | T624 R625 Y631 L632 | T624-K628 HydrophobicContact CG2-CD 4.23Å; T624-K628 WeakPolarHBondContact O-CB 3.48Å; T624-K628 VanDerWaalsContact O-CG 3.27Å; T624-K628 WeakPolarHBondContact O-CG 3.37Å; T624-K628 PolarHBondContact O-N 2.87Å; R625-K628 PolarHBondContact O-N 2.81Å; K628-Y631 PolarHBondContact O-N 3.1Å; K628-L632 WeakPolarHBondContact O-CB 3.12Å; K628-L632 PolarHBondContact O-N 2.72Å |
| 629 | L | 90.6 | Very high | 87.7 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 176.1 | 178.4 | 64.9 | 0 | 0 | 0 | 111.5 | R625 E626 L627 Y631 L632 I633 | R625-L629 PolarHBondContact O-N 3.36Å; E626-L629 WeakPolarHBondContact O-CB 3.39Å; E626-L629 PolarHBondContact O-N 3.4Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 3.4Å; L629-Y631 PolarHBondContact O-N 3.32Å; L629-L632 PolarHBondContact O-N 3.3Å; L629-I633 HydrophobicContact CD1-CD1 4.32Å; L629-I633 HydrophobicContact CG-CD1 4.09Å; L629-I633 WeakPolarHBondContact O-CG1 3.3Å; L629-I633 PolarHBondContact O-N 3.14Å |
| 630 | K | 88.3 | Confident | 87.9 | Confident | 107 Ų | 107 | 107.4 Ų | 107.4 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -44 | 177.3 | -72.9 | 171.9 | -176.9 | 164.7 | 0 | 111.7 | E626 L627 L632 I633 I634 | E626-K630 VanDerWaalsContact CD-NZ 3.27Å; E626-K630 WeakPolarHBondContact O-CG 3.48Å; E626-K630 PolarHBondContact O-N 3.05Å; E626-K630 WeakPolarHBondContact OE1-CE 3.38Å; E626-K630 IonicContact OE1-NZ 2.64Å; E626-K630 PolarHBondContact OE1-NZ 2.98Å; E626-K630 IonicContact OE2-NZ 2.71Å; L627-K630 PolarHBondContact O-N 3.26Å; L627-K630 VanDerWaalsContact O-N 3.13Å; K630-L632 VanDerWaalsContact C-N 3.34Å; K630-L632 PolarHBondContact O-N 2.89Å; K630-I633 PolarHBondContact O-N 3.34Å; K630-I634 VanDerWaalsContact O-CG1 3.24Å; K630-I634 WeakPolarHBondContact O-CG1 3.3Å; K630-I634 PolarHBondContact O-N 3.42Å |
| 631 | Y | 88 | Confident | 87.7 | Confident | 126 Ų | 126 | 107.1 Ų | 107.1 | 49% | 0.494 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.8 | -85.5 | -74.9 | 0 | 0 | 0 | 111.9 | L627 K628 L629 I633 I634 E635 | L627-Y631 HydrophobicContact CD1-CE2 4.31Å; L627-Y631 HydrophobicContact CD2-CD2 3.5Å; L627-Y631 HydrophobicContact CD2-CE2 3.37Å; L627-Y631 HydrophobicContact CG-CD2 3.86Å; L627-Y631 HydrophobicContact CG-CE2 3.63Å; L627-Y631 VanDerWaalsContact O-CD2 3.23Å; L627-Y631 WeakPolarHBondContact O-CD2 3.45Å; L627-Y631 PolarHBondContact O-N 2.96Å; K628-Y631 PolarHBondContact O-N 3.1Å; L629-Y631 PolarHBondContact O-N 3.32Å; Y631-I633 VanDerWaalsContact C-N 3.32Å; Y631-I633 PolarHBondContact O-N 3.07Å; Y631-I634 PolarHBondContact O-N 3.13Å; Y631-I634 VanDerWaalsContact O-N 3.15Å; Y631-E635 WeakPolarHBondContact O-CB 3.38Å; Y631-E635 WeakPolarHBondContact O-CG 3.49Å; Y631-E635 PolarHBondContact O-N 3.18Å |
| 632 | L | 89.8 | Confident | 87.3 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 179.2 | -158.5 | 149.9 | 0 | 0 | 0 | 111.7 | K628 L629 K630 N636 | K628-L632 WeakPolarHBondContact O-CB 3.12Å; K628-L632 PolarHBondContact O-N 2.72Å; L629-L632 PolarHBondContact O-N 3.3Å; K630-L632 VanDerWaalsContact C-N 3.34Å; K630-L632 PolarHBondContact O-N 2.89Å; L632-N636 VanDerWaalsContact CD2-ND2 3.25Å; L632-N636 WeakPolarHBondContact CD2-ND2 3.48Å; L632-N636 WeakPolarHBondContact O-CB 3.43Å; L632-N636 PolarHBondContact O-N 3.01Å; L632-N636 VanDerWaalsContact O-N 3.09Å; L632-N636 PolarHBondContact O-ND2 3.11Å |
| 633 | I | 88.1 | Confident | 87 | Confident | 79 Ų | 79 | 103.9 Ų | 103.9 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 172.8 | -67.4 | 166.1 | 0 | 0 | 0 | 110.5 | L629 K630 Y631 E635 N636 F637 | L629-I633 HydrophobicContact CD1-CD1 4.32Å; L629-I633 HydrophobicContact CG-CD1 4.09Å; L629-I633 WeakPolarHBondContact O-CG1 3.3Å; L629-I633 PolarHBondContact O-N 3.14Å; K630-I633 PolarHBondContact O-N 3.34Å; Y631-I633 VanDerWaalsContact C-N 3.32Å; Y631-I633 PolarHBondContact O-N 3.07Å; I633-E635 VanDerWaalsContact C-N 3.32Å; I633-E635 PolarHBondContact O-N 2.89Å; I633-N636 PolarHBondContact O-N 2.89Å; I633-F637 HydrophobicContact CG2-CD2 4.25Å; I633-F637 WeakPolarHBondContact O-CB 3.36Å; I633-F637 PolarHBondContact O-N 3.37Å |
| 634 | I | 84.9 | Confident | 86.9 | Confident | 54 Ų | 54 | 102 Ų | 102 | 28% | 0.277 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 179.3 | -69.1 | 164.4 | 0 | 0 | 0 | 110.4 | K630 Y631 I638 K643 | K630-I634 VanDerWaalsContact O-CG1 3.24Å; K630-I634 WeakPolarHBondContact O-CG1 3.3Å; K630-I634 PolarHBondContact O-N 3.42Å; Y631-I634 PolarHBondContact O-N 3.13Å; Y631-I634 VanDerWaalsContact O-N 3.15Å; I634-I638 HydrophobicContact CB-CD1 4.35Å; I634-I638 HydrophobicContact CG1-CD1 4.03Å; I634-I638 HydrophobicContact CG2-CD1 4.28Å; I634-I638 VanDerWaalsContact O-CB 3.31Å; I634-I638 WeakPolarHBondContact O-CB 3.47Å; I634-I638 PolarHBondContact O-N 3.29Å; I634-I638 VanDerWaalsContact O-N 3.08Å; I634-K643 HydrophobicContact CG2-CD 4.1Å |
| 635 | E | 85.6 | Confident | 86.5 | Confident | 136 Ų | 136 | 105 Ų | 105 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.4 | -36.6 | -178.2 | -72.9 | 176.8 | 175.7 | 0 | 0 | 113.4 | Y631 I633 | Y631-E635 WeakPolarHBondContact O-CB 3.38Å; Y631-E635 WeakPolarHBondContact O-CG 3.49Å; Y631-E635 PolarHBondContact O-N 3.18Å; I633-E635 VanDerWaalsContact C-N 3.32Å; I633-E635 PolarHBondContact O-N 2.89Å |
| 636 | N | 87.9 | Confident | 86 | Confident | 112 Ų | 112 | 99.3 Ų | 99.3 | 60% | 0.599 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -88.1 | -27.8 | -176.9 | -73.2 | -70.8 | 0 | 0 | 0 | 114 | L632 I633 | L632-N636 VanDerWaalsContact CD2-ND2 3.25Å; L632-N636 WeakPolarHBondContact CD2-ND2 3.48Å; L632-N636 WeakPolarHBondContact O-CB 3.43Å; L632-N636 PolarHBondContact O-N 3.01Å; L632-N636 VanDerWaalsContact O-N 3.09Å; L632-N636 PolarHBondContact O-ND2 3.11Å; I633-N636 PolarHBondContact O-N 2.89Å |
| 637 | F | 88.6 | Confident | 85.6 | Confident | 164 Ų | 164 | 100 Ų | 100 | 72% | 0.719 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -116.2 | -13.8 | -170.8 | -67.4 | -88.4 | 0 | 0 | 0 | 114.8 | I633 | I633-F637 HydrophobicContact CG2-CD2 4.25Å; I633-F637 WeakPolarHBondContact O-CB 3.36Å; I633-F637 PolarHBondContact O-N 3.37Å |
| 638 | I | 84.4 | Confident | 85.4 | Confident | 66 Ų | 66 | 102.2 Ų | 102.2 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -111.1 | 115 | 179.9 | -53.4 | -177.3 | 0 | 0 | 0 | 109.3 | I634 E642 K643 | I634-I638 HydrophobicContact CB-CD1 4.35Å; I634-I638 HydrophobicContact CG1-CD1 4.03Å; I634-I638 HydrophobicContact CG2-CD1 4.28Å; I634-I638 VanDerWaalsContact O-CB 3.31Å; I634-I638 WeakPolarHBondContact O-CB 3.47Å; I634-I638 PolarHBondContact O-N 3.29Å; I634-I638 VanDerWaalsContact O-N 3.08Å; I638-E642 HydrophobicContact CG2-CB 4.47Å; I638-K643 HydrophobicContact CG2-CB 4.27Å |
| 639 | P | 90.9 | Very high | 84.9 | Confident | 68 Ų | 68 | 99.5 Ų | 99.5 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | trans | -55.5 | 139.2 | 174.2 | -25.6 | 34.4 | 0 | 0 | 0 | 111.8 | E641 E642 K643 | P639-E641 WeakPolarHBondContact CB-OE2 3.42Å; P639-E641 PolarHBondContact O-N 2.88Å; P639-E641 VanDerWaalsContact O-N 3.13Å; P639-E642 PolarHBondContact O-N 3.37Å; P639-E642 VanDerWaalsContact O-N 3.08Å; P639-K643 PolarHBondContact O-N 3.41Å; P639-K643 VanDerWaalsContact O-N 3.11Å | ||
| 640 | P | 81.1 | Confident | 84.6 | Confident | 81 Ų | 81 | 96.6 Ų | 96.6 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -27.3 | -174.9 | 23.4 | -32.1 | 0 | 0 | 0 | 112.7 | N644 | P640-N644 WeakPolarHBondContact O-CB 3.45Å; P640-N644 VanDerWaalsContact O-CG 3.23Å; P640-N644 PolarHBondContact O-N 3Å; P640-N644 PolarHBondContact O-ND2 3.02Å |
| 641 | E | 83.4 | Confident | 84.4 | Confident | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 177.2 | -56.6 | 75.1 | -162.3 | 0 | 0 | 112 | P639 K645 | P639-E641 WeakPolarHBondContact CB-OE2 3.42Å; P639-E641 PolarHBondContact O-N 2.88Å; P639-E641 VanDerWaalsContact O-N 3.13Å; E641-K645 VanDerWaalsContact O-CG 3.31Å; E641-K645 WeakPolarHBondContact O-CG 3.2Å; E641-K645 PolarHBondContact O-N 3.39Å; E641-K645 VanDerWaalsContact O-N 3.12Å |
| 642 | E | 80.3 | Confident | 84.1 | Confident | 88 Ų | 88 | 94 Ų | 94 | 41% | 0.411 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.4 | -37.5 | 177.7 | -67.5 | -56.8 | 139.3 | 0 | 0 | 111.1 | I638 P639 N644 K645 I646 | I638-E642 HydrophobicContact CG2-CB 4.47Å; P639-E642 PolarHBondContact O-N 3.37Å; P639-E642 VanDerWaalsContact O-N 3.08Å; E642-N644 VanDerWaalsContact C-N 3.33Å; E642-N644 PolarHBondContact O-N 3.21Å; E642-K645 PolarHBondContact O-N 2.94Å; E642-K645 IonicContact OE1-NZ 2.86Å; E642-K645 PolarHBondContact OE1-NZ 2.97Å; E642-I646 VanDerWaalsContact O-CG1 3.26Å; E642-I646 WeakPolarHBondContact O-CG1 3.49Å; E642-I646 PolarHBondContact O-N 3.44Å |
| 643 | K | 80.9 | Confident | 83.8 | Confident | 79 Ų | 79 | 90.8 Ų | 90.8 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55.5 | -48.1 | 171.5 | -176.8 | -177.6 | 177.7 | -178.5 | 0 | 111.1 | I634 I638 P639 K645 I646 M647 | I634-K643 HydrophobicContact CG2-CD 4.1Å; I638-K643 HydrophobicContact CG2-CB 4.27Å; P639-K643 PolarHBondContact O-N 3.41Å; P639-K643 VanDerWaalsContact O-N 3.11Å; K643-K645 PolarHBondContact O-N 3.5Å; K643-I646 PolarHBondContact O-N 2.91Å; K643-M647 VanDerWaalsContact O-CG 3.3Å; K643-M647 WeakPolarHBondContact O-CG 3.4Å; K643-M647 PolarHBondContact O-N 3.42Å |
| 644 | N | 83.2 | Confident | 83 | Confident | 94 Ų | 94 | 92.2 Ų | 92.2 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 179.4 | -70.5 | -20.8 | 0 | 0 | 0 | 112.5 | P640 E642 I646 M647 N648 | P640-N644 WeakPolarHBondContact O-CB 3.45Å; P640-N644 VanDerWaalsContact O-CG 3.23Å; P640-N644 PolarHBondContact O-N 3Å; P640-N644 PolarHBondContact O-ND2 3.02Å; E642-N644 VanDerWaalsContact C-N 3.33Å; E642-N644 PolarHBondContact O-N 3.21Å; N644-I646 VanDerWaalsContact C-N 3.31Å; N644-I646 PolarHBondContact O-N 2.94Å; N644-M647 PolarHBondContact O-N 3.22Å; N644-N648 WeakPolarHBondContact O-CB 3.35Å; N644-N648 PolarHBondContact O-N 3.38Å; N644-N648 PolarHBondContact O-ND2 3.34Å |
| 645 | K | 81.7 | Confident | 82 | Confident | 113 Ų | 113 | 98.2 Ų | 98.2 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 174 | -71.9 | 171.8 | -167.8 | 171 | 0 | 112.7 | E641 E642 K643 R649 | E641-K645 VanDerWaalsContact O-CG 3.31Å; E641-K645 WeakPolarHBondContact O-CG 3.2Å; E641-K645 PolarHBondContact O-N 3.39Å; E641-K645 VanDerWaalsContact O-N 3.12Å; E642-K645 PolarHBondContact O-N 2.94Å; E642-K645 IonicContact OE1-NZ 2.86Å; E642-K645 PolarHBondContact OE1-NZ 2.97Å; K643-K645 PolarHBondContact O-N 3.5Å; K645-R649 WeakPolarHBondContact O-CD 3.28Å; K645-R649 VanDerWaalsContact O-CG 3.3Å; K645-R649 WeakPolarHBondContact O-CG 3.23Å |
| 646 | I | 80.9 | Confident | 81.3 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.6 | -48.5 | 176.7 | -69.5 | 169.8 | 0 | 0 | 0 | 109.8 | E642 K643 N644 N648 R649 L650 F661 | E642-I646 VanDerWaalsContact O-CG1 3.26Å; E642-I646 WeakPolarHBondContact O-CG1 3.49Å; E642-I646 PolarHBondContact O-N 3.44Å; K643-I646 PolarHBondContact O-N 2.91Å; N644-I646 VanDerWaalsContact C-N 3.31Å; N644-I646 PolarHBondContact O-N 2.94Å; I646-N648 PolarHBondContact O-N 3.33Å; I646-R649 PolarHBondContact O-N 3.47Å; I646-R649 VanDerWaalsContact O-N 3.1Å; I646-L650 PolarHBondContact O-N 2.7Å; I646-F661 HydrophobicContact CB-CE1 4.43Å; I646-F661 HydrophobicContact CG2-CE1 3.45Å; I646-F661 VanDerWaalsContact CG2-CE1 3.45Å; I646-F661 HydrophobicContact CG2-CZ 3.68Å |
| 647 | M | 80.1 | Confident | 80.6 | Confident | 106 Ų | 106 | 100 Ų | 100 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 179.7 | -69.2 | -58.6 | -65.2 | 0 | 0 | 112.4 | K643 N644 R649 L650 | K643-M647 VanDerWaalsContact O-CG 3.3Å; K643-M647 WeakPolarHBondContact O-CG 3.4Å; K643-M647 PolarHBondContact O-N 3.42Å; N644-M647 PolarHBondContact O-N 3.22Å; M647-R649 PolarHBondContact O-N 3.1Å; M647-R649 VanDerWaalsContact O-N 3.16Å; M647-L650 WeakPolarHBondContact O-CB 3.24Å; M647-L650 PolarHBondContact O-N 3.2Å; M647-L650 VanDerWaalsContact O-N 3.14Å |
| 648 | N | 82.7 | Confident | 79.9 | Confident | 137 Ų | 137 | 97.9 Ų | 97.9 | 73% | 0.733 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -14.8 | 178.4 | -70.4 | -12.7 | 0 | 0 | 0 | 113.8 | N644 I646 | N644-N648 WeakPolarHBondContact O-CB 3.35Å; N644-N648 PolarHBondContact O-N 3.38Å; N644-N648 PolarHBondContact O-ND2 3.34Å; I646-N648 PolarHBondContact O-N 3.33Å |
| 649 | R | 81.4 | Confident | 79.7 | Confident | 84 Ų | 84 | 102.5 Ų | 102.5 | 32% | 0.317 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -5.8 | 178.2 | -68.3 | 177.8 | 63 | -157.5 | -10.6 | 112.7 | K645 I646 M647 F661 Q662 L664 | K645-R649 WeakPolarHBondContact O-CD 3.28Å; K645-R649 VanDerWaalsContact O-CG 3.3Å; K645-R649 WeakPolarHBondContact O-CG 3.23Å; I646-R649 PolarHBondContact O-N 3.47Å; I646-R649 VanDerWaalsContact O-N 3.1Å; M647-R649 PolarHBondContact O-N 3.1Å; M647-R649 VanDerWaalsContact O-N 3.16Å; R649-F661 HydrophobicContact CB-CD1 4.3Å; R649-F661 CarbonylContact O-C 3.59Å; R649-F661 WeakPolarHBondContact O-CA 3.31Å; R649-Q662 PolarHBondContact NE-O 2.98Å; R649-Q662 PolarHBondContact NH2-O 3.07Å; R649-Q662 PolarHBondContact O-N 3.47Å; R649-L664 VanDerWaalsContact NH1-CD2 3.33Å |
| 650 | L | 85.2 | Confident | 79.1 | Confident | 43 Ų | 43 | 103 Ų | 103 | 23% | 0.225 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 123.2 | 180 | -154.2 | 81.9 | 0 | 0 | 0 | 107.9 | I646 M647 W659 F661 | I646-L650 PolarHBondContact O-N 2.7Å; M647-L650 WeakPolarHBondContact O-CB 3.24Å; M647-L650 PolarHBondContact O-N 3.2Å; M647-L650 VanDerWaalsContact O-N 3.14Å; L650-W659 HydrophobicContact CB-CE3 4.27Å; L650-W659 HydrophobicContact CD1-CB 4.11Å; L650-W659 HydrophobicContact CD2-CB 4.04Å; L650-W659 HydrophobicContact CD2-CD2 3.57Å; L650-W659 HydrophobicContact CD2-CE3 3.33Å; L650-W659 HydrophobicContact CD2-CG 3.92Å; L650-W659 HydrophobicContact CD2-CZ3 3.91Å; L650-W659 HydrophobicContact CG-CB 3.99Å; L650-W659 HydrophobicContact CG-CD2 4.06Å; L650-W659 HydrophobicContact CG-CE3 3.51Å; L650-W659 HydrophobicContact CG-CG 4.31Å; L650-W659 HydrophobicContact CG-CZ3 4.25Å; L650-F661 HydrophobicContact CD1-CD1 3.9Å; L650-F661 HydrophobicContact CD1-CD2 4.39Å; L650-F661 HydrophobicContact CD1-CE1 3.39Å; L650-F661 HydrophobicContact CD1-CE2 3.96Å; L650-F661 HydrophobicContact CD1-CG 4.37Å; L650-F661 HydrophobicContact CD1-CZ 3.44Å; L650-F661 VanDerWaalsContact CD1-CZ 3.44Å |
| 651 | F | 84.1 | Confident | 79.1 | Confident | 93 Ų | 93 | 104.6 Ų | 104.6 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.6 | 170.3 | 69.4 | -87.1 | 0 | 0 | 0 | 109.3 | K660 Q662 | F651-K660 WeakPolarHBondContact CD1-O 3.47Å; F651-K660 HydrophobicContact CE1-CB 4.05Å; F651-K660 HydrophobicContact CE2-CB 4.14Å; F651-K660 HydrophobicContact CZ-CB 3.77Å; F651-K660 PolarHBondContact N-O 3.16Å; F651-K660 PolarHBondContact O-N 2.92Å; F651-Q662 HydrophobicContact CD1-CB 4.26Å; F651-Q662 HydrophobicContact CE1-CB 4.25Å |
| 652 | L | 81.9 | Confident | 78.7 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.8 | 176.9 | -177 | 64.9 | 0 | 0 | 0 | 108.3 | C654 W659 | L652-C654 PolarHBondContact O-N 3.02Å; L652-W659 HydrophobicContact CB-CD2 4.39Å; L652-W659 HydrophobicContact CB-CE3 4.06Å; L652-W659 HydrophobicContact CB-CH2 4.35Å; L652-W659 HydrophobicContact CB-CZ3 4.07Å; L652-W659 HydrophobicContact CD1-CD2 4.23Å; L652-W659 HydrophobicContact CD1-CG 4.37Å |
| 653 | D | 82.3 | Confident | 77.9 | Confident | 33 Ų | 33 | 104.8 Ų | 104.8 | 18% | 0.176 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 108.1 | 170.9 | -170.5 | -20.3 | 0 | 0 | 0 | 108.7 | E655 E656 E657 Q658 K660 | D653-E655 VanDerWaalsContact C-N 3.26Å; D653-E655 PolarHBondContact O-N 3.13Å; D653-E655 PolarHBondContact OD1-N 2.88Å; D653-E655 VanDerWaalsContact OD1-N 3.17Å; D653-E656 HydrophobicContact CB-CB 4.38Å; D653-E656 PolarHBondContact O-N 3.35Å; D653-E657 WeakPolarHBondContact O-CA 3.26Å; D653-E657 PolarHBondContact O-N 2.93Å; D653-Q658 PolarHBondContact N-O 3.19Å; D653-K660 HydrophobicContact CB-CD 3.99Å; D653-K660 HydrophobicContact CB-CG 4.38Å; D653-K660 WeakPolarHBondContact OD2-CE 3.36Å; D653-K660 IonicContact OD2-NZ 3.23Å; D653-K660 PolarHBondContact OD2-NZ 3.42Å |
| 654 | C | 72 | Confident | 77 | Confident | 108 Ų | 108 | 107.9 Ų | 107.9 | 73% | 0.73 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.4 | -175.6 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | L652 | L652-C654 PolarHBondContact O-N 3.02Š|
| 655 | E | 64.2 | Low | 75.8 | Confident | 181 Ų | 181 | 108.6 Ų | 108.6 | 85% | 0.846 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -32.2 | 177.1 | -65.9 | -170.9 | 161.3 | 0 | 0 | 111.6 | D653 | D653-E655 VanDerWaalsContact C-N 3.26Å; D653-E655 PolarHBondContact O-N 3.13Å; D653-E655 PolarHBondContact OD1-N 2.88Å; D653-E655 VanDerWaalsContact OD1-N 3.17Å |
| 656 | E | 70.1 | Confident | 74.3 | Confident | 114 Ų | 114 | 108.7 Ų | 108.7 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -5.7 | -175.6 | -65.3 | -69.9 | 152.3 | 0 | 0 | 113.6 | D653 Q658 | D653-E656 HydrophobicContact CB-CB 4.38Å; D653-E656 PolarHBondContact O-N 3.35Å; E656-Q658 WeakPolarHBondContact O-CG 3.3Å; E656-Q658 PolarHBondContact O-N 2.78Å; E656-Q658 VanDerWaalsContact O-N 3.13Å |
| 657 | E | 74 | Confident | 72.9 | Confident | 171 Ų | 171 | 110.9 Ų | 110.9 | 80% | 0.799 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.9 | 30.7 | -174.6 | -63.8 | -174.8 | 164.8 | 0 | 0 | 114.1 | D653 | D653-E657 WeakPolarHBondContact O-CA 3.26Å; D653-E657 PolarHBondContact O-N 2.93Å |
| 658 | Q | 73.3 | Confident | 71.3 | Confident | 120 Ų | 120 | 108.3 Ų | 108.3 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.2 | -177.5 | -74.7 | -179.4 | 8.9 | 0 | 0 | 111.9 | D653 E656 K660 | D653-Q658 PolarHBondContact N-O 3.19Å; E656-Q658 WeakPolarHBondContact O-CG 3.3Å; E656-Q658 PolarHBondContact O-N 2.78Å; E656-Q658 VanDerWaalsContact O-N 3.13Å; Q658-K660 PolarHBondContact O-N 2.95Å |
| 659 | W | 79.3 | Confident | 69.6 | Low | 163 Ų | 163 | 108.1 Ų | 108.1 | 62% | 0.617 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72.6 | 116.3 | 170.6 | -69.8 | 98.8 | 0 | 0 | 0 | 110 | L650 L652 | L650-W659 HydrophobicContact CB-CE3 4.27Å; L650-W659 HydrophobicContact CD1-CB 4.11Å; L650-W659 HydrophobicContact CD2-CB 4.04Å; L650-W659 HydrophobicContact CD2-CD2 3.57Å; L650-W659 HydrophobicContact CD2-CE3 3.33Å; L650-W659 HydrophobicContact CD2-CG 3.92Å; L650-W659 HydrophobicContact CD2-CZ3 3.91Å; L650-W659 HydrophobicContact CG-CB 3.99Å; L650-W659 HydrophobicContact CG-CD2 4.06Å; L650-W659 HydrophobicContact CG-CE3 3.51Å; L650-W659 HydrophobicContact CG-CG 4.31Å; L650-W659 HydrophobicContact CG-CZ3 4.25Å; L652-W659 HydrophobicContact CB-CD2 4.39Å; L652-W659 HydrophobicContact CB-CE3 4.06Å; L652-W659 HydrophobicContact CB-CH2 4.35Å; L652-W659 HydrophobicContact CB-CZ3 4.07Å; L652-W659 HydrophobicContact CD1-CD2 4.23Å; L652-W659 HydrophobicContact CD1-CG 4.37Å |
| 660 | K | 80 | Confident | 67.7 | Low | 77 Ų | 77 | 111.1 Ų | 111.1 | 34% | 0.335 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.4 | 177.1 | -68.3 | -176.6 | -177.6 | 170 | 0 | 110.2 | F651 D653 Q658 | F651-K660 WeakPolarHBondContact CD1-O 3.47Å; F651-K660 HydrophobicContact CE1-CB 4.05Å; F651-K660 HydrophobicContact CE2-CB 4.14Å; F651-K660 HydrophobicContact CZ-CB 3.77Å; F651-K660 PolarHBondContact N-O 3.16Å; F651-K660 PolarHBondContact O-N 2.92Å; D653-K660 HydrophobicContact CB-CD 3.99Å; D653-K660 HydrophobicContact CB-CG 4.38Å; D653-K660 WeakPolarHBondContact OD2-CE 3.36Å; D653-K660 IonicContact OD2-NZ 3.23Å; D653-K660 PolarHBondContact OD2-NZ 3.42Å; Q658-K660 PolarHBondContact O-N 2.95Å |
| 661 | F | 80.2 | Confident | 65.8 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.6 | 173.3 | -76.8 | -71.9 | 0 | 0 | 0 | 110.4 | I646 R649 L650 P663 | I646-F661 HydrophobicContact CB-CE1 4.43Å; I646-F661 HydrophobicContact CG2-CE1 3.45Å; I646-F661 VanDerWaalsContact CG2-CE1 3.45Å; I646-F661 HydrophobicContact CG2-CZ 3.68Å; R649-F661 HydrophobicContact CB-CD1 4.3Å; R649-F661 CarbonylContact O-C 3.59Å; R649-F661 WeakPolarHBondContact O-CA 3.31Å; L650-F661 HydrophobicContact CD1-CD1 3.9Å; L650-F661 HydrophobicContact CD1-CD2 4.39Å; L650-F661 HydrophobicContact CD1-CE1 3.39Å; L650-F661 HydrophobicContact CD1-CE2 3.96Å; L650-F661 HydrophobicContact CD1-CG 4.37Å; L650-F661 HydrophobicContact CD1-CZ 3.44Å; L650-F661 VanDerWaalsContact CD1-CZ 3.44Å; F661-P663 WeakPolarHBondContact O-CD 3.27Å |
| 662 | Q | 74.6 | Confident | 64 | Low | 119 Ų | 119 | 118.9 Ų | 118.9 | 56% | 0.556 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -64 | 123.4 | 170.4 | -161.3 | 171.3 | 24.8 | 0 | 0 | 109.4 | R649 F651 | R649-Q662 PolarHBondContact NE-O 2.98Å; R649-Q662 PolarHBondContact NH2-O 3.07Å; R649-Q662 PolarHBondContact O-N 3.47Å; F651-Q662 HydrophobicContact CD1-CB 4.26Å; F651-Q662 HydrophobicContact CE1-CB 4.25Å |
| 663 | P | 63.7 | Low | 62.2 | Low | 93 Ų | 93 | 123.3 Ų | 123.3 | 60% | 0.604 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 143.9 | -179.7 | -24.7 | 33.7 | 0 | 0 | 0 | 112.1 | F661 V665 | F661-P663 WeakPolarHBondContact O-CD 3.27Å; P663-V665 PolarHBondContact O-N 2.93Å; P663-V665 VanDerWaalsContact O-N 3.14Å |
| 664 | L | 61.2 | Low | 60.4 | Low | 144 Ų | 144 | 130.6 Ų | 130.6 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -63.9 | -16.6 | 177.7 | -79.6 | 165.6 | 0 | 0 | 0 | 113.4 | R649 | R649-L664 VanDerWaalsContact NH1-CD2 3.33Š|
| 665 | V | 58.3 | Low | 59.1 | Low | 109 Ų | 109 | 135 Ų | 135 | 66% | 0.661 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -134.3 | 125.6 | -178.6 | -171.4 | 0 | 0 | 0 | 0 | 107.6 | P663 A667 | P663-V665 PolarHBondContact O-N 2.93Å; P663-V665 VanDerWaalsContact O-N 3.14Å; V665-A667 PolarHBondContact O-N 3.1Å |
| 666 | P | 50.1 | Low | 58.5 | Low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | trans | -59.3 | 128.7 | 172.1 | -18.4 | 30.4 | 0 | 0 | 0 | 109.1 | G668 | P666-G668 PolarHBondContact O-N 3.33Š| ||
| 667 | A | 51.7 | Low | 57.4 | Low | 119 Ų | 119 | 140.8 Ų | 140.8 | 98% | 0.983 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -74.6 | 63.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | V665 | V665-A667 PolarHBondContact O-N 3.1Š|
| 668 | G | 46.7 | Very low | 56.4 | Low | 52 Ų | 52 | 138.1 Ų | 138.1 | 54% | 0.536 | 73% | 0.729 | S | S | . | * | trans | -140.9 | 105.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P666 | P666-G668 PolarHBondContact O-N 3.33Š| ||
| 669 | V | 47.7 | Very low | 55.4 | Low | 133 Ų | 133 | 138.7 Ų | 138.7 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 58 | 87.9 | 155.1 | -154.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 670 | N | 41.5 | Very low | 54.1 | Low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | 136.4 | 84.7 | 151.6 | -69.4 | -24.7 | 0 | 0 | 0 | 112 | S672 | N670-S672 PolarHBondContact O-N 2.98Š| ||
| 671 | N | 45.6 | Very low | 52.7 | Low | 181 Ų | 181 | 134 Ų | 134 | 97% | 0.968 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 26.6 | -178.9 | -130 | 11.9 | 0 | 0 | 0 | 114.4 | ||
| 672 | S | 45.8 | Very low | 51.3 | Low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | 13.2 | -174.5 | -96.7 | 0 | 0 | 0 | 0 | 115.9 | N670 | N670-S672 PolarHBondContact O-N 2.98Š|
| 673 | Q | 44.9 | Very low | 50.5 | Low | 177 Ų | 177 | 133.6 Ų | 133.6 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -132.2 | 87.6 | 166 | -77 | -174.5 | -3.5 | 0 | 0 | 110.5 | K675 | Q673-K675 PolarHBondContact O-N 3.42Š| ||
| 674 | M | 42.7 | Very low | 50 | Low | 187 Ų | 187 | 138.6 Ų | 138.6 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -51.4 | 111.7 | 150.2 | -68.5 | 178.9 | 75.6 | 0 | 0 | 106.5 | K676 | M674-K676 PolarHBondContact O-N 2.71Š| ||
| 675 | K | 45.5 | Very low | 49.7 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -50.4 | 116 | 173.4 | -74.1 | -176.9 | 178.4 | 179.3 | 0 | 107 | Q673 R677 | Q673-K675 PolarHBondContact O-N 3.42Å; K675-R677 PolarHBondContact O-N 2.89Å; K675-R677 VanDerWaalsContact O-N 3.11Å | ||
| 676 | K | 51.1 | Low | 49.6 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 124.9 | 174.6 | -86.8 | -178.1 | 177.3 | 176 | 0 | 107 | M674 | M674-K676 PolarHBondContact O-N 2.71Š|
| 677 | R | 47.8 | Very low | 49.7 | Very low | 213 Ų | 213 | 143.8 Ų | 143.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 136.7 | 177.2 | -70.3 | -179.8 | 177.8 | -169.1 | -1 | 108.3 | K675 T679 | K675-R677 PolarHBondContact O-N 2.89Å; K675-R677 VanDerWaalsContact O-N 3.11Å; R677-T679 PolarHBondContact O-N 2.86Å |
| 678 | P | 51.8 | Low | 49.9 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54 | 136.5 | -176.1 | 19.5 | -30.4 | 0 | 0 | 0 | 110.5 | R686 | P678-R686 PolarHBondContact O-NH2 3.49Š|
| 679 | T | 52.8 | Low | 50.3 | Low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 136.5 | 173.5 | 35.7 | 0 | 0 | 0 | 0 | 108.9 | R677 | R677-T679 PolarHBondContact O-N 2.86Š|
| 680 | S | 53.2 | Low | 50.4 | Low | 58 Ų | 58 | 143.7 Ų | 143.7 | 41% | 0.406 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 150.2 | 172.9 | 42.5 | 0 | 0 | 0 | 0 | 109.5 | V682 | S680-V682 PolarHBondContact O-N 3.49Š|
| 681 | A | 49.6 | Very low | 50.9 | Low | 84 Ų | 84 | 146 Ų | 146 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -49.2 | 141.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G683 | A681-G683 PolarHBondContact O-N 3.33Š|
| 682 | V | 51.2 | Low | 51.3 | Low | 149 Ų | 149 | 138.9 Ų | 138.9 | 90% | 0.903 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | 124.1 | -169.4 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | S680 | S680-V682 PolarHBondContact O-N 3.49Š|
| 683 | G | 57.8 | Low | 51.8 | Low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.7 | -13.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | A681 | A681-G683 PolarHBondContact O-N 3.33Š|
| 684 | Y | 52.3 | Low | 52.2 | Low | 198 Ų | 198 | 136 Ų | 136 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | trans | -106.8 | 130 | 177.8 | -70.2 | -83.8 | 0 | 0 | 0 | 112.5 | ||||
| 685 | K | 55 | Low | 52.8 | Low | 209 Ų | 209 | 129.7 Ų | 129.7 | 91% | 0.909 | 67% | 0.672 | S | S | * | * | trans | -69.5 | 132.7 | 166.6 | -79.7 | -175 | 179.4 | 178.3 | 0 | 108.9 | ||||
| 686 | R | 56.4 | Low | 53.3 | Low | 132 Ų | 132 | 126.5 Ų | 126.5 | 50% | 0.498 | 66% | 0.662 | S | S | . | * | trans | -55.8 | 143.5 | -179.2 | -61.1 | -178.2 | -177.9 | -152.2 | -3.6 | 111 | P678 I688 | P678-R686 PolarHBondContact O-NH2 3.49Å; R686-I688 PolarHBondContact O-N 3.13Å; R686-I688 VanDerWaalsContact O-N 3.13Å | ||
| 687 | P | 52.9 | Low | 53.6 | Low | 135 Ų | 135 | 121.1 Ų | 121.1 | 88% | 0.877 | 66% | 0.655 | S | S | * | * | trans | -66.9 | 111.9 | 165 | 25.5 | -29 | 0 | 0 | 0 | 108.9 | ||||
| 688 | I | 56.6 | Low | 54 | Low | 69 Ų | 69 | 115.3 Ų | 115.3 | 35% | 0.354 | 64% | 0.638 | S | S | . | * | trans | -93.6 | 126.1 | 177.8 | -58.6 | 165.3 | 0 | 0 | 0 | 107.3 | R686 A692 R693 M696 | R686-I688 PolarHBondContact O-N 3.13Å; R686-I688 VanDerWaalsContact O-N 3.13Å; I688-A692 HydrophobicContact CG2-CB 3.55Å; I688-R693 HydrophobicContact CG2-CB 4.2Å; I688-R693 PolarHBondContact O-NH2 2.94Å; I688-M696 HydrophobicContact CD1-CE 4.05Å; I688-M696 HydrophobicContact CG2-CE 3.9Å | ||
| 689 | S | 54.3 | Low | 54.2 | Low | 72 Ų | 72 | 112.2 Ų | 112.2 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | trans | -56.3 | 149.3 | 174.9 | 76.3 | 0 | 0 | 0 | 0 | 110.3 | Y691 A692 R693 | S689-Y691 PolarHBondContact O-N 2.9Å; S689-A692 PolarHBondContact O-N 3.32Å; S689-A692 PolarHBondContact OG-N 3.48Å; S689-R693 PolarHBondContact O-N 3.14Å | ||
| 690 | Q | 49.4 | Very low | 54.4 | Low | 161 Ų | 161 | 112 Ų | 112 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -56.7 | -37.5 | -178.4 | -167.8 | 168.1 | 1.2 | 0 | 0 | 111.4 | R693 V694 | Q690-R693 PolarHBondContact O-N 3.16Å; Q690-V694 VanDerWaalsContact O-CG2 3.26Å; Q690-V694 WeakPolarHBondContact O-CG2 3.42Å; Q690-V694 PolarHBondContact O-N 2.98Å |
| 691 | Y | 52.5 | Low | 54 | Low | 196 Ų | 196 | 112 Ų | 112 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59.4 | -47.7 | 173.6 | -174.4 | -97.2 | 0 | 0 | 0 | 113.3 | S689 R693 V694 A695 | S689-Y691 PolarHBondContact O-N 2.9Å; Y691-R693 VanDerWaalsContact C-N 3.3Å; Y691-R693 PolarHBondContact O-N 3.35Å; Y691-V694 PolarHBondContact O-N 3.29Å; Y691-A695 WeakPolarHBondContact O-CB 3.39Å; Y691-A695 PolarHBondContact O-N 2.95Å |
| 692 | A | 52.9 | Low | 54 | Low | 32 Ų | 32 | 111.8 Ų | 111.8 | 26% | 0.264 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.9 | -28.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I688 S689 M696 | I688-A692 HydrophobicContact CG2-CB 3.55Å; S689-A692 PolarHBondContact O-N 3.32Å; S689-A692 PolarHBondContact OG-N 3.48Å; A692-M696 WeakPolarHBondContact O-CG 3.37Å; A692-M696 PolarHBondContact O-N 2.92Å; A692-M696 VanDerWaalsContact O-N 3.09Å |
| 693 | R | 56.3 | Low | 53.8 | Low | 160 Ų | 160 | 113.4 Ų | 113.4 | 60% | 0.604 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.8 | -41.1 | 174.8 | -147 | -177.6 | -55 | -168.7 | 3.5 | 111.4 | I688 S689 Q690 Y691 A697 | I688-R693 HydrophobicContact CG2-CB 4.2Å; I688-R693 PolarHBondContact O-NH2 2.94Å; S689-R693 PolarHBondContact O-N 3.14Å; Q690-R693 PolarHBondContact O-N 3.16Å; Y691-R693 VanDerWaalsContact C-N 3.3Å; Y691-R693 PolarHBondContact O-N 3.35Å; R693-A697 WeakPolarHBondContact O-CB 3.34Å; R693-A697 PolarHBondContact O-N 3.42Å; R693-A697 VanDerWaalsContact O-N 3.1Å |
| 694 | V | 54.2 | Low | 53.5 | Low | 73 Ų | 73 | 119.2 Ų | 119.2 | 44% | 0.442 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -46 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | Q690 Y691 M696 A697 M698 | Q690-V694 VanDerWaalsContact O-CG2 3.26Å; Q690-V694 WeakPolarHBondContact O-CG2 3.42Å; Q690-V694 PolarHBondContact O-N 2.98Å; Y691-V694 PolarHBondContact O-N 3.29Å; V694-M696 VanDerWaalsContact C-N 3.33Å; V694-M696 PolarHBondContact O-N 3.45Å; V694-A697 PolarHBondContact O-N 3.25Å; V694-M698 HydrophobicContact CG1-CE 4.21Å; V694-M698 HydrophobicContact CG1-CG 3.97Å; V694-M698 WeakPolarHBondContact O-CB 3.5Å; V694-M698 WeakPolarHBondContact O-CG 3.38Å; V694-M698 PolarHBondContact O-N 3.42Å; V694-M698 VanDerWaalsContact O-N 3.08Å |
| 695 | A | 54.6 | Low | 53.5 | Low | 55 Ų | 55 | 116.8 Ų | 116.8 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.8 | -36.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y691 | Y691-A695 WeakPolarHBondContact O-CB 3.39Å; Y691-A695 PolarHBondContact O-N 2.95Å |
| 696 | M | 56.4 | Low | 53 | Low | 134 Ų | 134 | 111.3 Ų | 111.3 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.6 | -36.3 | 175.3 | -78.9 | -167.7 | -95.2 | 0 | 0 | 113.3 | I688 A692 V694 M698 | I688-M696 HydrophobicContact CD1-CE 4.05Å; I688-M696 HydrophobicContact CG2-CE 3.9Å; A692-M696 WeakPolarHBondContact O-CG 3.37Å; A692-M696 PolarHBondContact O-N 2.92Å; A692-M696 VanDerWaalsContact O-N 3.09Å; V694-M696 VanDerWaalsContact C-N 3.33Å; V694-M696 PolarHBondContact O-N 3.45Å; M696-M698 PolarHBondContact O-N 3.24Å |
| 697 | A | 58.1 | Low | 52.6 | Low | 90 Ų | 90 | 111.8 Ų | 111.8 | 74% | 0.744 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.3 | -21.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R693 V694 | R693-A697 WeakPolarHBondContact O-CB 3.34Å; R693-A697 PolarHBondContact O-N 3.42Å; R693-A697 VanDerWaalsContact O-N 3.1Å; V694-A697 PolarHBondContact O-N 3.25Å |
| 698 | M | 54.9 | Low | 52.4 | Low | 91 Ų | 91 | 110 Ų | 110 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | 0.8 | -170.5 | -73.6 | -88.7 | -107.6 | 0 | 0 | 114.5 | V694 M696 H701 | V694-M698 HydrophobicContact CG1-CE 4.21Å; V694-M698 HydrophobicContact CG1-CG 3.97Å; V694-M698 WeakPolarHBondContact O-CB 3.5Å; V694-M698 WeakPolarHBondContact O-CG 3.38Å; V694-M698 PolarHBondContact O-N 3.42Å; V694-M698 VanDerWaalsContact O-N 3.08Å; M696-M698 PolarHBondContact O-N 3.24Å; M698-H701 VanDerWaalsContact CB-CE1 3.45Å; M698-H701 WeakPolarHBondContact CB-CE1 3.31Å; M698-H701 WeakPolarHBondContact CB-ND1 3.37Å; M698-H701 WeakPolarHBondContact CE-CE1 3.4Å; M698-H701 VanDerWaalsContact CE-NE2 3.29Å; M698-H701 WeakPolarHBondContact CE-NE2 3.5Å; M698-H701 PolarHBondContact O-ND1 3.12Å; M698-H701 PolarHBondContact SD-CE1 3.35Å |
| 699 | G | 57.2 | Low | 52.1 | Low | 50 Ų | 50 | 112.7 Ų | 112.7 | 52% | 0.515 | 59% | 0.594 | S | S | . | * | trans | 56.1 | -176.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | H701 | G699-H701 PolarHBondContact O-N 3.48Š| ||
| 700 | S | 55.5 | Low | 51.6 | Low | 128 Ų | 128 | 116.7 Ų | 116.7 | 90% | 0.895 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -57.1 | 106.7 | 169.4 | 36.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 701 | H | 45.1 | Very low | 51.5 | Low | 57 Ų | 57 | 118.7 Ų | 118.7 | 26% | 0.264 | 61% | 0.613 | S | S | . | * | trans | -69.6 | 128.1 | -159.9 | -134.4 | 35.1 | 0 | 0 | 0 | 111.7 | M698 G699 R703 Y704 | M698-H701 VanDerWaalsContact CB-CE1 3.45Å; M698-H701 WeakPolarHBondContact CB-CE1 3.31Å; M698-H701 WeakPolarHBondContact CB-ND1 3.37Å; M698-H701 WeakPolarHBondContact CE-CE1 3.4Å; M698-H701 VanDerWaalsContact CE-NE2 3.29Å; M698-H701 WeakPolarHBondContact CE-NE2 3.5Å; M698-H701 PolarHBondContact O-ND1 3.12Å; M698-H701 PolarHBondContact SD-CE1 3.35Å; G699-H701 PolarHBondContact O-N 3.48Å; H701-R703 PolarHBondContact O-N 2.96Å; H701-Y704 PolarHBondContact O-N 2.71Å | ||
| 702 | P | 50.8 | Low | 51.1 | Low | 81 Ų | 81 | 116.4 Ų | 116.4 | 53% | 0.526 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -58 | -16 | 179.2 | -23.4 | 31.4 | 0 | 0 | 0 | 114.5 | Y704 N708 | P702-Y704 VanDerWaalsContact C-N 3.27Å; P702-Y704 PolarHBondContact O-N 3.31Å; P702-N708 PolarHBondContact O-ND2 2.94Å |
| 703 | R | 46.5 | Very low | 50.8 | Low | 182 Ų | 182 | 123.7 Ų | 123.7 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -72.6 | -14.5 | -178.3 | -143.1 | -178.1 | -64.4 | -170.1 | -0.2 | 114.2 | H701 | H701-R703 PolarHBondContact O-N 2.96Š|
| 704 | Y | 51.2 | Low | 50.2 | Low | 198 Ų | 198 | 123.7 Ų | 123.7 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -127 | 44.1 | -178.9 | -60.4 | -74.6 | 0 | 0 | 0 | 112.1 | H701 P702 | H701-Y704 PolarHBondContact O-N 2.71Å; P702-Y704 VanDerWaalsContact C-N 3.27Å; P702-Y704 PolarHBondContact O-N 3.31Å |
| 705 | R | 51.9 | Low | 49.5 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 56% | 0.555 | 67% | 0.672 | S | S | * | * | trans | -88 | 138.1 | 162.1 | -65.1 | -154.3 | 176.5 | -168.2 | -0.8 | 109 | E707 N708 | R705-E707 HydrophobicContact CB-CG 3.63Å; R705-E707 WeakPolarHBondContact CD-OE1 3.25Å; R705-E707 IonicContact CZ-OE1 3.91Å; R705-E707 IonicContact NE-OE1 3.73Å; R705-E707 IonicContact NH1-OE1 3.81Å; R705-E707 PolarHBondContact NH1-OE1 2.86Å; R705-E707 PolarHBondContact O-N 3.5Å; R705-E707 VanDerWaalsContact O-N 3.09Å; R705-N708 PolarHBondContact O-N 3.38Å | ||
| 706 | A | 45.2 | Very low | 49.1 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -57.3 | -25 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 707 | E | 48.9 | Very low | 48.5 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -77.3 | -7.9 | 176.4 | 45.4 | -169.9 | -169.6 | 0 | 0 | 114.8 | R705 | R705-E707 HydrophobicContact CB-CG 3.63Å; R705-E707 WeakPolarHBondContact CD-OE1 3.25Å; R705-E707 IonicContact CZ-OE1 3.91Å; R705-E707 IonicContact NE-OE1 3.73Å; R705-E707 IonicContact NH1-OE1 3.81Å; R705-E707 PolarHBondContact NH1-OE1 2.86Å; R705-E707 PolarHBondContact O-N 3.5Å; R705-E707 VanDerWaalsContact O-N 3.09Å |
| 708 | N | 47.2 | Very low | 47.9 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 52% | 0.519 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -103.7 | 14.7 | 178.7 | -76.9 | -19.8 | 0 | 0 | 0 | 114.1 | P702 R705 M710 | P702-N708 PolarHBondContact O-ND2 2.94Å; R705-N708 PolarHBondContact O-N 3.38Å; N708-M710 PolarHBondContact O-N 2.97Å; N708-M710 VanDerWaalsContact O-N 3.16Å |
| 709 | I | 50.9 | Low | 47.4 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 64% | 0.641 | 70% | 0.7 | S | S | * | * | trans | -80.1 | 93.7 | 169 | -55.7 | 175.2 | 0 | 0 | 0 | 107.3 | F711 | I709-F711 PolarHBondContact O-N 3.49Š| ||
| 710 | M | 42.7 | Very low | 46.4 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 77% | 0.768 | 72% | 0.715 | S | S | * | * | trans | -65.4 | 117.1 | 166.9 | -68.9 | -82.6 | -78.5 | 0 | 0 | 107.9 | N708 L712 | N708-M710 PolarHBondContact O-N 2.97Å; N708-M710 VanDerWaalsContact O-N 3.16Å; M710-L712 HydrophobicContact CB-CD1 4.48Å; M710-L712 PolarHBondContact O-N 3.39Å | ||
| 711 | F | 47.9 | Very low | 45.7 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | trans | -68.1 | 89.8 | 161.4 | -79.2 | -86.3 | 0 | 0 | 0 | 107.3 | I709 E713 | I709-F711 PolarHBondContact O-N 3.49Å; F711-E713 PolarHBondContact O-N 2.94Å | ||
| 712 | L | 45.5 | Very low | 45.2 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -74 | 108.8 | 165.6 | -83.3 | 139.3 | 0 | 0 | 0 | 106.9 | M710 L714 | M710-L712 HydrophobicContact CB-CD1 4.48Å; M710-L712 PolarHBondContact O-N 3.39Å; L712-L714 PolarHBondContact O-N 2.95Å | ||
| 713 | E | 46.5 | Very low | 44.2 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | -55.2 | 122.6 | 155.5 | -78.3 | -176.9 | 157.6 | 0 | 0 | 106.8 | F711 D715 | F711-E713 PolarHBondContact O-N 2.94Å; E713-D715 PolarHBondContact O-N 3.25Å | ||
| 714 | L | 42.4 | Very low | 43.5 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -62 | 105.4 | 172.9 | -93.8 | 142.5 | 0 | 0 | 0 | 107.2 | L712 V716 | L712-L714 PolarHBondContact O-N 2.95Å; L714-V716 PolarHBondContact O-N 2.86Å | ||
| 715 | D | 39 | Very low | 42.5 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -68.5 | 87 | 169.5 | -150.1 | 7.7 | 0 | 0 | 0 | 107.2 | E713 S717 | E713-D715 PolarHBondContact O-N 3.25Å; D715-S717 VanDerWaalsContact C-N 3.34Å; D715-S717 PolarHBondContact O-N 3.43Å | ||
| 716 | V | 46.5 | Very low | 41.8 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -65.4 | 100.1 | 168.3 | -106.9 | 0 | 0 | 0 | 0 | 105.9 | L714 | L714-V716 PolarHBondContact O-N 2.86Š| ||
| 717 | S | 44.1 | Very low | 41 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 133.1 | 167.6 | -53.3 | 0 | 0 | 0 | 0 | 108 | D715 | D715-S717 VanDerWaalsContact C-N 3.34Å; D715-S717 PolarHBondContact O-N 3.43Å |
| 718 | P | 45.3 | Very low | 40.3 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 145.3 | -179.6 | -19.6 | 29.3 | 0 | 0 | 0 | 109.4 | A720 | P718-A720 PolarHBondContact O-N 3.15Å; P718-A720 VanDerWaalsContact O-N 3.16Å |
| 719 | P | 44.3 | Very low | 39.6 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 129 | 173.4 | 23.3 | -30.2 | 0 | 0 | 0 | 107.7 | V721 | P719-V721 PolarHBondContact O-N 3.4Š|
| 720 | A | 37 | Very low | 38.8 | Very low | 99 Ų | 99 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -63.2 | 91.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | P718 F722 | P718-A720 PolarHBondContact O-N 3.15Å; P718-A720 VanDerWaalsContact O-N 3.16Å; A720-F722 PolarHBondContact O-N 3.09Å | ||
| 721 | V | 40.8 | Very low | 38.9 | Very low | 116 Ų | 116 | 151.5 Ų | 151.5 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | trans | -72.2 | 104.7 | 164.7 | -168.3 | 0 | 0 | 0 | 0 | 104.7 | P719 E723 | P719-V721 PolarHBondContact O-N 3.4Å; V721-E723 VanDerWaalsContact C-N 3.28Å; V721-E723 HydrophobicContact CG1-CG 4.48Å; V721-E723 PolarHBondContact O-N 2.81Å | ||
| 722 | F | 34 | Very low | 38.4 | Very low | 198 Ų | 198 | 151 Ų | 151 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -70.1 | 95.2 | 163.9 | -124.9 | -90.2 | 0 | 0 | 0 | 106 | A720 M724 | A720-F722 PolarHBondContact O-N 3.09Å; F722-M724 PolarHBondContact O-N 3.08Å | ||
| 723 | E | 30.6 | Very low | 38.2 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 110.6 | 164.1 | -87.6 | -177.4 | 157.9 | 0 | 0 | 107.5 | V721 E725 | V721-E723 VanDerWaalsContact C-N 3.28Å; V721-E723 HydrophobicContact CG1-CG 4.48Å; V721-E723 PolarHBondContact O-N 2.81Å; E723-E725 VanDerWaalsContact C-N 3.29Å; E723-E725 PolarHBondContact O-N 2.93Å | ||
| 724 | M | 31.4 | Very low | 38 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -75.5 | 87.8 | 169.3 | -165 | 178.4 | -64 | 0 | 0 | 106.9 | F722 F726 | F722-M724 PolarHBondContact O-N 3.08Å; M724-F726 PolarHBondContact O-N 3.41Å; M724-F726 VanDerWaalsContact O-N 3.16Å; M724-F726 HydrophobicContact SD-CE2 4.45Å | ||
| 725 | E | 29.3 | Very low | 38 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 110.3 | 167.2 | -78.6 | -169.3 | 155 | 0 | 0 | 108.7 | E723 S727 | E723-E725 VanDerWaalsContact C-N 3.29Å; E723-E725 PolarHBondContact O-N 2.93Å; E725-S727 PolarHBondContact O-N 3.11Å | ||
| 726 | F | 37.6 | Very low | 38.2 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -69.9 | 106 | 163 | -96.4 | -94.7 | 0 | 0 | 0 | 108.5 | M724 | M724-F726 PolarHBondContact O-N 3.41Å; M724-F726 VanDerWaalsContact O-N 3.16Å; M724-F726 HydrophobicContact SD-CE2 4.45Å | ||
| 727 | S | 28.8 | Very low | 38 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -120.3 | 109.3 | 157.9 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | E725 D729 | E725-S727 PolarHBondContact O-N 3.11Å; S727-D729 PolarHBondContact O-N 3.08Å | ||
| 728 | H | 35.1 | Very low | 38 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -48.2 | 120.3 | 162.3 | -104.3 | -49.6 | 0 | 0 | 0 | 110.3 | ||||
| 729 | D | 32.1 | Very low | 37.7 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 160.8 | 150.4 | 105.4 | -93.4 | -21.2 | 0 | 0 | 0 | 113.8 | S727 | S727-D729 PolarHBondContact O-N 3.08Š| |||
| 730 | Q | 34.1 | Very low | 37.4 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | 90.5 | 110.6 | 163.7 | -70.2 | 177.9 | 5.9 | 0 | 0 | 119.9 | ||||
| 731 | E | 44.9 | Very low | 37.8 | Very low | 187 Ų | 187 | 155 Ų | 155 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -46.3 | 133 | 165.9 | -61.6 | 170.8 | 138.6 | 0 | 0 | 112.9 | ||||
| 732 | Q | 36.4 | Very low | 37.7 | Very low | 193 Ų | 193 | 155.3 Ų | 155.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -159.8 | 146.2 | 154.4 | -109.7 | 157.9 | 55.8 | 0 | 0 | 113.8 | ||||
| 733 | D | 42.4 | Very low | 38 | Very low | 111 Ų | 111 | 153.8 Ų | 153.8 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | trans | -70.5 | 133.3 | -156.7 | -177.2 | -3.2 | 0 | 0 | 0 | 116.1 | R735 | D733-R735 PolarHBondContact O-N 3.28Å; D733-R735 PolarHBondContact OD1-N 3.13Å | ||
| 734 | P | 41.9 | Very low | 38.3 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 1.8 | -177.2 | 25.1 | -34.2 | 0 | 0 | 0 | 116.9 | ||
| 735 | R | 43 | Very low | 38.5 | Very low | 215 Ų | 215 | 155.1 Ų | 155.1 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -12.4 | -179.9 | -76.8 | -177.6 | 172.2 | 170.3 | -0.3 | 115.9 | D733 | D733-R735 PolarHBondContact O-N 3.28Å; D733-R735 PolarHBondContact OD1-N 3.13Å |
| 736 | A | 42.3 | Very low | 38.7 | Very low | 75 Ų | 75 | 154.8 Ų | 154.8 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -82.1 | -27.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H738 | A736-H738 PolarHBondContact O-N 3.01Š|
| 737 | L | 43.3 | Very low | 38.5 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -78 | -14.9 | -173.3 | -74.4 | 167.1 | 0 | 0 | 0 | 114.7 | ||
| 738 | H | 43 | Very low | 38.6 | Very low | 144 Ų | 144 | 154.2 Ų | 154.2 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -80.5 | -27.4 | 179.8 | -166.4 | 62.7 | 0 | 0 | 0 | 112.7 | A736 | A736-H738 PolarHBondContact O-N 3.01Å |
| 739 | M | 39 | Very low | 38.5 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -85 | -26.5 | -174.5 | -143.1 | 168.6 | 75.7 | 0 | 0 | 113 | ||
| 740 | E | 39.2 | Very low | 38.3 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 57% | 0.565 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -76.7 | -26 | 178 | -162 | 176.4 | 174.4 | 0 | 0 | 112.7 | ||
| 741 | R | 44.2 | Very low | 38.3 | Very low | 211 Ų | 211 | 159.6 Ų | 159.6 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -77.1 | -22 | -179.8 | -145 | 173.8 | -137.4 | -175.2 | 5.4 | 113.4 | ||
| 742 | L | 39.5 | Very low | 37.6 | Very low | 122 Ų | 122 | 157 Ų | 157 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -84.1 | -20.5 | 178.4 | -89.8 | 156 | 0 | 0 | 0 | 113.6 | ||
| 743 | M | 39.3 | Very low | 37.2 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -6.7 | -178.6 | -80.6 | -83.3 | -172.9 | 0 | 0 | 114.6 | ||
| 744 | R | 37.1 | Very low | 36.5 | Very low | 196 Ų | 196 | 153.9 Ų | 153.9 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 5.9 | -177.6 | -76.3 | -165.4 | -176.3 | -176 | 5.3 | 115.4 | ||
| 745 | L | 36.8 | Very low | 35.8 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -98.4 | -3.7 | -178.5 | -102 | 129.5 | 0 | 0 | 0 | 115.1 | ||
| 746 | D | 32.8 | Very low | 35.1 | Very low | 160 Ų | 160 | 152.3 Ų | 152.3 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -101 | 5.8 | -174.8 | -92.1 | -16.2 | 0 | 0 | 0 | 115.8 | ||
| 747 | S | 33.9 | Very low | 34.4 | Very low | 83 Ų | 83 | 155.9 Ų | 155.9 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -107.7 | 27.2 | -167.8 | 75 | 0 | 0 | 0 | 0 | 117.3 | ||
| 748 | F | 30.5 | Very low | 33.5 | Very low | 206 Ų | 206 | 160.6 Ų | 160.6 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -138.7 | 40.2 | 173.9 | -80.5 | -75.2 | 0 | 0 | 0 | 115.1 | ||||
| 749 | L | 32 | Very low | 32.8 | Very low | 170 Ų | 170 | 163.1 Ų | 163.1 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -116.6 | 93.5 | 161.8 | -86.4 | 165.1 | 0 | 0 | 0 | 109.8 | ||||
| 750 | E | 28.4 | Very low | 32.1 | Very low | 197 Ų | 197 | 161.4 Ų | 161.4 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -161.5 | 128.4 | 150.4 | -112.3 | 174.3 | -165.3 | 0 | 0 | 111.1 | ||||
| 751 | R | 34 | Very low | 31.6 | Very low | 239 Ų | 239 | 167 Ų | 167 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -86.2 | 173.7 | 179.5 | -63 | 175.8 | 170.2 | 179.8 | -2.2 | 110.5 | ||||
| 752 | P | 31.2 | Very low | 30.8 | Very low | 132 Ų | 132 | 162.3 Ų | 162.3 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | -145.8 | 163.2 | 90.8 | 32.4 | -12.5 | 0 | 0 | 0 | 116.9 | |||||
| 753 | S | 27.6 | Very low | 30.2 | Very low | 103 Ų | 103 | 167.2 Ų | 167.2 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | trans | -77.6 | 145.3 | -175.2 | 52.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 754 | T | 27.8 | Very low | 29.7 | Very low | 137 Ų | 137 | 165.8 Ų | 165.8 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | trans | -151.3 | 105.5 | 141.3 | 46.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 755 | S | 27.7 | Very low | 29.4 | Very low | 94 Ų | 94 | 164.7 Ų | 164.7 | 66% | 0.657 | 84% | 0.835 | S | S | * | * | trans | 28.2 | 123.3 | 132.6 | 73.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 756 | K | 28.3 | Very low | 29.1 | Very low | 203 Ų | 203 | 162.6 Ų | 162.6 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | 163.1 | 103.9 | 106.3 | -87.5 | 170.3 | -175.5 | 173 | 0 | 110.6 | |||||
| 757 | V | 25.8 | Very low | 29.1 | Very low | 150 Ų | 150 | 161.2 Ų | 161.2 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | -102.2 | 124.1 | 166.6 | 173.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 758 | R | 25.8 | Very low | 28.9 | Very low | 237 Ų | 237 | 166.2 Ų | 166.2 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | trans | -137.7 | 102.8 | 167.5 | -139.4 | 179.2 | -179.7 | -170.3 | -0.5 | 110.9 | ||||
| 759 | K | 26.8 | Very low | 28.9 | Very low | 197 Ų | 197 | 168 Ų | 168 | 86% | 0.857 | 85% | 0.847 | S | S | * | * | trans | 28 | 127.4 | 143.2 | -62.7 | -179.8 | 176.5 | -179.4 | 0 | 120.6 | ||||
| 760 | S | 26 | Very low | 29 | Very low | 115 Ų | 115 | 165.5 Ų | 165.5 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | -157.7 | 101.2 | 128.9 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 761 | R | 27.7 | Very low | 29.5 | Very low | 239 Ų | 239 | 162 Ų | 162 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | 76.5 | 102.7 | 100.8 | -88.1 | -172.2 | 162.1 | -167 | -4.8 | 115.2 | |||||
| 762 | S | 27.2 | Very low | 29.8 | Very low | 113 Ų | 113 | 156.4 Ų | 156.4 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | -63.4 | 142.9 | 166.5 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 763 | W | 27 | Very low | 29.7 | Very low | 225 Ų | 225 | 156 Ų | 156 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -128.6 | 99.6 | 157.2 | -84.9 | 65.8 | 0 | 0 | 0 | 108.3 | ||||
| 764 | C | 28.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 157 Ų | 157 | 91% | 0.905 | 83% | 0.832 | S | S | * | * | trans | -133.8 | 111.8 | 156.9 | -77.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 765 | Q | 30.2 | Very low | 30 | Very low | 174 Ų | 174 | 156.7 Ų | 156.7 | 81% | 0.813 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 128 | 165.4 | -77.2 | 179.7 | -7 | 0 | 0 | 108.3 | ||
| 766 | S | 30.9 | Very low | 30.1 | Very low | 107 Ų | 107 | 160.7 Ų | 160.7 | 75% | 0.748 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 152.1 | 169.4 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 767 | P | 32.8 | Very low | 30.2 | Very low | 130 Ų | 130 | 155.2 Ų | 155.2 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 137.9 | 151.1 | 2.8 | 17.3 | 0 | 0 | 0 | 111.8 | ||
| 768 | Q | 29.8 | Very low | 30.3 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 160.5 | 175.9 | -72.3 | 179.8 | -26.7 | 0 | 0 | 113.3 | ||
| 769 | R | 31.6 | Very low | 30.5 | Very low | 245 Ų | 245 | 149.6 Ų | 149.6 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 159.7 | 167.9 | -78.7 | -179.5 | 172.5 | -169.8 | -2.9 | 113.5 | ||
| 770 | P | 34.3 | Very low | 30.7 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -116.8 | 171.9 | 141 | 23.8 | -5.5 | 0 | 0 | 0 | 113.4 | ||||
| 771 | P | 37.5 | Very low | 31 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -99.5 | -177.3 | -142.9 | 6.1 | 15.9 | 0 | 0 | 0 | 116.9 | ||||
| 772 | P | 40.2 | Very low | 31.1 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -98.4 | 158.4 | -161.4 | 38.7 | -32.3 | 0 | 0 | 0 | 114.5 | ||||
| 773 | S | 29 | Very low | 31.3 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -128.7 | 123.4 | 156.7 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 774 | T | 30.9 | Very low | 31.5 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -79.7 | 141.8 | 172.1 | 38.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 775 | T | 31.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | -175.7 | 121 | 124.4 | 24.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 776 | H | 29.8 | Very low | 32.8 | Very low | 178 Ų | 178 | 135 Ų | 135 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 38.2 | 116.4 | 137.7 | -76.7 | -87.1 | 0 | 0 | 0 | 120.9 | ||||
| 777 | A | 30.1 | Very low | 32.7 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 81% | 0.811 | S | S | * | * | 83 | 143.8 | 96.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 778 | S | 28.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | cis | -175.9 | 154.3 | -4 | -101.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 779 | L | 30.1 | Very low | 33.1 | Very low | 171 Ų | 171 | 131 Ų | 131 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | 67.4 | 149.8 | 153.2 | -63.4 | 157.7 | 0 | 0 | 0 | 117 | ||||
| 780 | A | 30.6 | Very low | 33.6 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | -164.8 | 170.9 | -6.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 781 | S | 32.7 | Very low | 34.1 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -50.4 | 149.3 | 172.5 | 51.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 782 | A | 30.6 | Very low | 34.1 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | -169.3 | 111.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 783 | S | 30.8 | Very low | 33.9 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | 47.5 | 104.4 | 83 | 69.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 784 | L | 31.2 | Very low | 34.2 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -115.9 | 124.2 | 175.7 | -91.5 | 156.2 | 0 | 0 | 0 | 110.1 | ||||
| 785 | Q | 31.8 | Very low | 34.3 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | trans | -148.7 | 161.9 | 155.2 | -100.9 | -145.5 | -9.2 | 0 | 0 | 109.7 | ||||
| 786 | P | 54.4 | Low | 34.5 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | -118.6 | 166.5 | -129.6 | 41.5 | -32.4 | 0 | 0 | 0 | 114.8 | |||||
| 787 | A | 29.3 | Very low | 34.8 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -179.7 | 154.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 788 | A | 31.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | cis | -165.1 | 151.9 | -13 | 0 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 789 | V | 38 | Very low | 35.5 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 87% | 0.873 | 85% | 0.846 | S | S | * | * | trans | -89.4 | 134.4 | 170.8 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 790 | A | 42.2 | Very low | 35.9 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | -133.3 | 133.7 | 163 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 791 | D | 44.6 | Very low | 36.3 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 75% | 0.754 | 85% | 0.852 | S | S | * | * | trans | -58.6 | 152 | -175.7 | -60.2 | -56.8 | 0 | 0 | 0 | 114.6 | ||||
| 792 | H | 38.8 | Very low | 36.6 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 85% | 0.852 | 86% | 0.855 | S | S | * | * | -169.9 | 131.3 | 117.9 | -102.9 | -66.7 | 0 | 0 | 0 | 111.4 | |||||
| 793 | E | 36.2 | Very low | 37.2 | Very low | 268 Ų | 268 | 148.5 Ų | 148.5 | 100% | 1.252 | 87% | 0.87 | S | S | * | * | trans | 77.2 | 0 | 171.1 | -65.8 | -170.8 | 155.2 | 0 | 0 | 120 |
Retrieved 793 of 793 residues in 2806 ms
(Link to these results)