| 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 | 43.4 | Very low | 72.6 | Confident | 186 Ų | 186 | 55.8 Ų | 55.8 | 92% | 0.916 | 29% | 0.292 | S | S | * | . | 0 | 153 | 0 | -81.7 | -172.2 | 175.6 | 0 | 0 | 107.4 | S3 | M1-S3 PolarHBondContact O-N 3.34Å; M1-S3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | N | 53.9 | Low | 73.9 | Confident | 128 Ų | 128 | 56.5 Ų | 56.5 | 68% | 0.684 | 30% | 0.296 | S | S | * | . | trans | -62.7 | 116.9 | -177.5 | -66.1 | -1.2 | 0 | 0 | 0 | 109 | ||||
| 3 | S | 62.7 | Low | 75.2 | Confident | 30 Ų | 30 | 55 Ų | 55 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | trans | -47.2 | 159 | 158.4 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | M1 G5 E400 | M1-S3 PolarHBondContact O-N 3.34Å; M1-S3 VanDerWaalsContact O-N 3.17Å; S3-G5 PolarHBondContact O-N 3.05Å; S3-E400 PolarHBondContact OG-OE1 3.23Å; S3-E400 PolarHBondContact OG-OE2 3.47Å | ||
| 4 | L | 69.3 | Low | 76.2 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -67 | 70.7 | 171.4 | -70.9 | 170 | 0 | 0 | 0 | 111.1 | T8 N380 C459 L460 E463 | L4-T8 HydrophobicContact CD2-CG2 4.17Å; L4-N380 HydrophobicContact CB-CB 4.06Å; L4-N380 WeakPolarHBondContact O-CA 3.4Å; L4-N380 WeakPolarHBondContact O-CB 3.44Å; L4-C459 HydrophobicContact CD2-CB 3.77Å; L4-L460 HydrophobicContact CD1-CD1 3.55Å; L4-E463 HydrophobicContact CD1-CB 4.01Å; L4-E463 HydrophobicContact CD1-CG 4.01Å; L4-E463 HydrophobicContact CD2-CB 4.45Å; L4-E463 HydrophobicContact CG-CB 4.07Å; L4-E463 HydrophobicContact CG-CG 4.14Å |
| 5 | G | 71.6 | Confident | 77 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -74.8 | 176.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S3 Q7 T8 | S3-G5 PolarHBondContact O-N 3.05Å; G5-Q7 PolarHBondContact O-N 2.86Å; G5-T8 WeakPolarHBondContact O-CB 3.37Å; G5-T8 PolarHBondContact O-N 3.23Å; G5-T8 PolarHBondContact O-OG1 3.01Å | ||
| 6 | L | 74.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -57.1 | -19.6 | 178.6 | -169.2 | 66.4 | 0 | 0 | 0 | 114.4 | T8 Y9 I388 L396 Y398 F417 L442 | L6-T8 VanDerWaalsContact C-N 3.26Å; L6-T8 PolarHBondContact O-N 3.49Å; L6-Y9 HydrophobicContact CD1-CD2 4.04Å; L6-Y9 HydrophobicContact CD1-CG 4.09Å; L6-Y9 WeakPolarHBondContact O-CB 3.45Å; L6-Y9 PolarHBondContact O-N 3.17Å; L6-I388 HydrophobicContact CD1-CD1 4.43Å; L6-L396 HydrophobicContact CD2-CB 3.93Å; L6-L396 HydrophobicContact CD2-CD1 4.3Å; L6-Y398 HydrophobicContact CB-CD1 4.14Å; L6-Y398 HydrophobicContact CB-CD2 3.65Å; L6-Y398 HydrophobicContact CB-CE2 4.32Å; L6-Y398 HydrophobicContact CB-CG 3.56Å; L6-F417 HydrophobicContact CB-CB 4.4Å; L6-F417 HydrophobicContact CB-CD1 3.62Å; L6-F417 HydrophobicContact CB-CE1 4.28Å; L6-F417 HydrophobicContact CB-CG 4.35Å; L6-F417 HydrophobicContact CD2-CD1 3.84Å; L6-F417 HydrophobicContact CD2-CE1 4.25Å; L6-F417 HydrophobicContact CG-CD1 3.76Å; L6-F417 HydrophobicContact CG-CE1 4.04Å; L6-L442 HydrophobicContact CD1-CD2 4.11Å |
| 7 | Q | 76.8 | Confident | 77.2 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -66 | -25.4 | 171 | 69 | -161.8 | -6.9 | 0 | 0 | 114 | G5 Y9 F417 | G5-Q7 PolarHBondContact O-N 2.86Å; Q7-Y9 VanDerWaalsContact C-N 3.28Å; Q7-F417 HydrophobicContact CB-CD2 3.81Å; Q7-F417 HydrophobicContact CB-CE2 3.87Å; Q7-F417 HydrophobicContact CB-CG 4.29Å; Q7-F417 HydrophobicContact CB-CZ 4.37Å |
| 8 | T | 82.2 | Confident | 76.5 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 9% | 0.086 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -82.5 | -12.4 | 176 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | L4 G5 L6 V10 H455 D456 C459 | L4-T8 HydrophobicContact CD2-CG2 4.17Å; G5-T8 WeakPolarHBondContact O-CB 3.37Å; G5-T8 PolarHBondContact O-N 3.23Å; G5-T8 PolarHBondContact O-OG1 3.01Å; L6-T8 VanDerWaalsContact C-N 3.26Å; L6-T8 PolarHBondContact O-N 3.49Å; T8-V10 PolarHBondContact O-N 3.4Å; T8-H455 CarbonylContact O-C 3.56Å; T8-H455 PolarHBondContact OG1-ND1 2.99Å; T8-D456 WeakPolarHBondContact O-CB 3.14Å; T8-D456 PolarHBondContact O-N 3.32Å; T8-C459 HydrophobicContact CG2-CB 4.1Å |
| 9 | Y | 85.6 | Confident | 75.5 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.5 | 175.7 | -83.5 | -97.8 | 0 | 0 | 0 | 110.7 | L6 Q7 F379 R419 L442 F453 Q454 H455 | L6-Y9 HydrophobicContact CD1-CD2 4.04Å; L6-Y9 HydrophobicContact CD1-CG 4.09Å; L6-Y9 WeakPolarHBondContact O-CB 3.45Å; L6-Y9 PolarHBondContact O-N 3.17Å; Q7-Y9 VanDerWaalsContact C-N 3.28Å; Y9-F379 PolarHBondContact OH-O 3.43Å; Y9-R419 PolarHBondContact O-NH1 3.37Å; Y9-L442 HydrophobicContact CD1-CB 4.42Å; Y9-L442 HydrophobicContact CE1-CB 4Å; Y9-F453 HydrophobicContact CD1-CB 3.59Å; Y9-F453 HydrophobicContact CG-CB 4.28Å; Y9-Q454 CarbonylContact C-O 3.57Å; Y9-Q454 VanDerWaalsContact CA-O 3.29Å; Y9-Q454 WeakPolarHBondContact CA-O 3.47Å; Y9-H455 AromaticContact CD2-CE1 3.78Å; Y9-H455 AromaticContact CD2-ND1 3.84Å; Y9-H455 AromaticContact CE2-CE1 3.08Å; Y9-H455 WeakPolarHBondContact CE2-CE1 3.05Å; Y9-H455 AromaticContact CE2-ND1 3.6Å; Y9-H455 AromaticContact CE2-NE2 3.52Å; Y9-H455 AromaticContact CZ-CD2 3.93Å; Y9-H455 AromaticContact CZ-CE1 3.5Å; Y9-H455 AromaticContact CZ-NE2 3.4Å; Y9-H455 PolarHBondContact OH-NE2 2.77Å; Y9-H455 VanDerWaalsContact OH-NE2 3.11Å |
| 10 | V | 88.6 | Confident | 74.1 | Confident | 73 Ų | 73 | 64.5 Ų | 64.5 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.5 | 172.2 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | T8 L12 F453 Q454 D456 | T8-V10 PolarHBondContact O-N 3.4Å; V10-L12 PolarHBondContact O-N 3.04Å; V10-F453 VanDerWaalsContact O-CA 3.31Å; V10-F453 WeakPolarHBondContact O-CA 3.41Å; V10-Q454 PolarHBondContact N-O 3.44Å; V10-Q454 PolarHBondContact O-N 3.23Å; V10-D456 HydrophobicContact CG2-CB 4.01Å |
| 11 | E | 90.6 | Very high | 72.8 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 111.8 | 171.6 | -172.9 | 171.6 | -137.3 | 0 | 0 | 108.3 | H451 F453 | E11-H451 IonicContact OE1-CE1 3.68Å; E11-H451 IonicContact OE1-CG 3.52Å; E11-H451 IonicContact OE1-ND1 3.42Å; E11-H451 PolarHBondContact OE1-ND1 2.97Å; E11-F453 HydrophobicContact CB-CD1 3.93Å; E11-F453 HydrophobicContact CB-CE1 3.65Å; E11-F453 HydrophobicContact CG-CD1 4.44Å; E11-F453 HydrophobicContact CG-CE1 3.98Å; E11-F453 HydrophobicContact CG-CZ 4.48Å |
| 12 | L | 88.3 | Confident | 73.1 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 34% | 0.335 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -44.4 | -176.8 | -158.9 | 76.1 | 0 | 0 | 0 | 110.7 | V10 I76 I452 | V10-L12 PolarHBondContact O-N 3.04Å; L12-I76 HydrophobicContact CD1-CD1 4.49Å; L12-I76 HydrophobicContact CD2-CB 4.12Å; L12-I76 HydrophobicContact CD2-CD1 3.55Å; L12-I76 HydrophobicContact CD2-CG1 4.43Å; L12-I76 HydrophobicContact CD2-CG2 4.05Å; L12-I452 PolarHBondContact N-O 2.96Å |
| 13 | F | 89.8 | Confident | 73 | Confident | 37 Ų | 37 | 52.3 Ų | 52.3 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 144.1 | 177.9 | -54.9 | -67 | 0 | 0 | 0 | 111.3 | F15 F69 I76 P78 I452 | F13-F15 HydrophobicContact CB-CD2 4.41Å; F13-F15 HydrophobicContact CB-CE2 3.63Å; F13-F15 HydrophobicContact CB-CZ 3.76Å; F13-F15 HydrophobicContact CG-CE2 4.44Å; F13-F15 HydrophobicContact CG-CZ 4.19Å; F13-F69 AromaticContact CD2-CD1 3.97Å; F13-F69 HydrophobicContact CD2-CD1 3.97Å; F13-F69 AromaticContact CD2-CE1 3.54Å; F13-F69 HydrophobicContact CD2-CE1 3.54Å; F13-F69 AromaticContact CE2-CD1 3.75Å; F13-F69 HydrophobicContact CE2-CD1 3.75Å; F13-F69 AromaticContact CE2-CE1 3.84Å; F13-F69 HydrophobicContact CE2-CE1 3.84Å; F13-F69 HydrophobicContact CG-CE1 4.43Å; F13-I76 HydrophobicContact CE2-CB 4.32Å; F13-I76 HydrophobicContact CE2-CG2 3.68Å; F13-I76 HydrophobicContact CZ-CB 4.06Å; F13-I76 HydrophobicContact CZ-CG2 3.81Å; F13-I76 VanDerWaalsContact CZ-O 3.29Å; F13-I76 WeakPolarHBondContact CZ-O 3.43Å; F13-P78 HydrophobicContact CD1-CB 4.46Å; F13-P78 HydrophobicContact CD1-CG 3.68Å; F13-P78 VanDerWaalsContact CE1-CD 3.44Å; F13-P78 HydrophobicContact CE1-CG 3.69Å; F13-P78 HydrophobicContact CG-CB 4.46Å; F13-P78 HydrophobicContact CG-CG 4.14Å; F13-P78 HydrophobicContact CZ-CG 4.12Å; F13-I452 HydrophobicContact CB-CB 4.2Å; F13-I452 HydrophobicContact CB-CG1 4.23Å; F13-I452 HydrophobicContact CD2-CB 4.24Å; F13-I452 HydrophobicContact CD2-CG2 4.39Å; F13-I452 PolarHBondContact N-O 3.22Å; F13-I452 PolarHBondContact O-N 2.75Å |
| 14 | H | 90 | Very high | 73 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 38% | 0.384 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 116.5 | 168.2 | 168.7 | -123.7 | 0 | 0 | 0 | 108.4 | P16 L450 H451 | H14-P16 WeakPolarHBondContact O-CD 3.41Å; H14-L450 WeakPolarHBondContact CA-O 3.33Å; H14-H451 AromaticContact CD2-CE1 3.23Å; H14-H451 PolarHBondContact CD2-CE1 3.16Å; H14-H451 AromaticContact CD2-ND1 3.48Å; H14-H451 PolarHBondContact CD2-ND1 2.88Å; H14-H451 AromaticContact CD2-NE2 3.9Å; H14-H451 AromaticContact NE2-CE1 3.63Å |
| 15 | F | 87.1 | Confident | 73.2 | Confident | 37 Ų | 37 | 56.2 Ų | 56.2 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 100.1 | 174.2 | -53.2 | -83.9 | 0 | 0 | 0 | 108.1 | F13 S17 H67 F69 P78 G449 L450 I452 | F13-F15 HydrophobicContact CB-CD2 4.41Å; F13-F15 HydrophobicContact CB-CE2 3.63Å; F13-F15 HydrophobicContact CB-CZ 3.76Å; F13-F15 HydrophobicContact CG-CE2 4.44Å; F13-F15 HydrophobicContact CG-CZ 4.19Å; F15-S17 PolarHBondContact O-N 3.36Å; F15-H67 AromaticContact CD1-CE1 3.87Å; F15-H67 AromaticContact CD1-ND1 3.92Å; F15-H67 AromaticContact CE1-ND1 3.87Å; F15-H67 AromaticContact CG-CE1 3.77Å; F15-H67 AromaticContact CZ-ND1 3.93Å; F15-F69 HydrophobicContact CE2-CE1 4.39Å; F15-F69 HydrophobicContact CE2-CZ 4.34Å; F15-F69 HydrophobicContact CZ-CE1 4.27Å; F15-P78 HydrophobicContact CE1-CB 3.81Å; F15-P78 HydrophobicContact CE1-CG 3.97Å; F15-P78 HydrophobicContact CZ-CB 3.43Å; F15-P78 VanDerWaalsContact CZ-CB 3.43Å; F15-P78 HydrophobicContact CZ-CG 3.89Å; F15-G449 CarbonylContact O-C 3.51Å; F15-G449 WeakPolarHBondContact O-CA 3.19Å; F15-L450 HydrophobicContact CB-CB 4.27Å; F15-L450 HydrophobicContact CD2-CB 4.12Å; F15-L450 HydrophobicContact CD2-CD2 3.9Å; F15-L450 HydrophobicContact CD2-CG 4.17Å; F15-L450 HydrophobicContact CE2-CD2 4.32Å; F15-L450 PolarHBondContact N-O 3.11Å; F15-L450 PolarHBondContact O-N 3.29Å; F15-I452 HydrophobicContact CE2-CG1 3.96Å |
| 16 | P | 83.1 | Confident | 73.8 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 140.3 | -178.7 | 26.2 | -34 | 0 | 0 | 0 | 110.3 | H14 L18 R448 | H14-P16 WeakPolarHBondContact O-CD 3.41Å; P16-L18 PolarHBondContact O-N 3.46Å; P16-R448 CarbonylContact C-O 3.58Å; P16-R448 WeakPolarHBondContact CA-O 3.46Å |
| 17 | S | 75.6 | Confident | 74.6 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -60.9 | 127.6 | 168.5 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | F15 A19 R448 | F15-S17 PolarHBondContact O-N 3.36Å; S17-A19 VanDerWaalsContact C-N 3.26Å; S17-A19 PolarHBondContact OG-N 3.05Å; S17-A19 PolarHBondContact OG-O 3.15Å; S17-R448 PolarHBondContact N-O 3.41Å | ||
| 18 | L | 64.6 | Low | 75.3 | Confident | 123 Ų | 123 | 55.7 Ų | 55.7 | 64% | 0.644 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -76.1 | -16.6 | 172.4 | -66.9 | 174.8 | 0 | 0 | 0 | 111.9 | P16 P53 | P16-L18 PolarHBondContact O-N 3.46Å; L18-P53 WeakPolarHBondContact O-CG 3.44Å |
| 19 | A | 57 | Low | 75.5 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -117.4 | 157.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S17 S21 F51 P53 | S17-A19 VanDerWaalsContact C-N 3.26Å; S17-A19 PolarHBondContact OG-N 3.05Å; S17-A19 PolarHBondContact OG-O 3.15Å; A19-S21 VanDerWaalsContact C-N 3.31Å; A19-F51 HydrophobicContact CB-CB 3.77Å; A19-F51 HydrophobicContact CB-CD1 3.77Å; A19-F51 HydrophobicContact CB-CG 4.25Å; A19-F51 WeakPolarHBondContact CB-O 3.1Å; A19-P53 HydrophobicContact CB-CG 4.25Å |
| 20 | Q | 48.3 | Very low | 75.4 | Confident | 207 Ų | 207 | 57.2 Ų | 57.2 | 97% | 0.967 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -78.2 | -12.7 | 171.4 | -69.8 | -176.7 | -16.4 | 0 | 0 | 113.4 | ||
| 21 | S | 45.9 | Very low | 74.9 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -90.5 | 154.6 | 176.4 | 102.9 | 0 | 0 | 0 | 0 | 110.5 | A19 V23 F51 | A19-S21 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.39Å; S21-F51 WeakPolarHBondContact OG-CB 3.3Å; S21-F51 WeakPolarHBondContact OG-CG 3.45Å |
| 22 | N | 49.8 | Very low | 74.1 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | trans | -73.4 | 114.4 | -167.3 | -49.8 | -66.8 | 0 | 0 | 0 | 110.6 | F24 F426 | N22-F24 VanDerWaalsContact C-N 3.29Å; N22-F24 HydrophobicContact CB-CD1 3.36Å; N22-F24 HydrophobicContact CB-CD2 3.47Å; N22-F24 VanDerWaalsContact CB-CD2 3.47Å; N22-F24 HydrophobicContact CB-CE1 3.1Å; N22-F24 HydrophobicContact CB-CE2 3.26Å; N22-F24 HydrophobicContact CB-CG 3.56Å; N22-F24 HydrophobicContact CB-CZ 3.09Å; N22-F24 WeakPolarHBondContact ND2-CE2 3.39Å; N22-F24 WeakPolarHBondContact ND2-CZ 3.48Å; N22-F24 VanDerWaalsContact O-CD2 3.27Å; N22-F24 WeakPolarHBondContact O-CD2 3.36Å; N22-F24 PolarHBondContact O-N 3.26Å; N22-F426 HydrophobicContact CB-CE2 4.07Å; N22-F426 HydrophobicContact CB-CZ 4.25Å | ||
| 23 | V | 51.9 | Low | 73 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | trans | -65.5 | 97.4 | 157.9 | -167.1 | 0 | 0 | 0 | 0 | 105.8 | S21 V48 A49 F50 F426 L445 | S21-V23 PolarHBondContact O-N 3.39Å; V23-V48 HydrophobicContact CG1-CG1 3.2Å; V23-A49 VanDerWaalsContact CG1-O 3.3Å; V23-A49 WeakPolarHBondContact CG1-O 3.34Å; V23-F50 HydrophobicContact CG1-CB 4.2Å; V23-F50 HydrophobicContact CG2-CB 3.73Å; V23-F426 VanDerWaalsContact O-CD2 3.26Å; V23-F426 WeakPolarHBondContact O-CD2 3.45Å; V23-L445 HydrophobicContact CB-CD1 3.89Å; V23-L445 HydrophobicContact CB-CD2 4.46Å; V23-L445 HydrophobicContact CB-CG 4.49Å; V23-L445 HydrophobicContact CG1-CD1 3.39Å; V23-L445 HydrophobicContact CG1-CD2 3.9Å; V23-L445 HydrophobicContact CG1-CG 4.15Å; V23-L445 WeakPolarHBondContact O-CD2 3.16Å | ||
| 24 | F | 62.6 | Low | 71.5 | Confident | 85 Ų | 85 | 49.2 Ų | 49.2 | 37% | 0.373 | 26% | 0.263 | S | S | . | . | trans | -97 | -29.3 | -170.1 | -75 | -60.8 | 0 | 0 | 0 | 114.1 | N22 F426 | N22-F24 VanDerWaalsContact C-N 3.29Å; N22-F24 HydrophobicContact CB-CD1 3.36Å; N22-F24 HydrophobicContact CB-CD2 3.47Å; N22-F24 VanDerWaalsContact CB-CD2 3.47Å; N22-F24 HydrophobicContact CB-CE1 3.1Å; N22-F24 HydrophobicContact CB-CE2 3.26Å; N22-F24 HydrophobicContact CB-CG 3.56Å; N22-F24 HydrophobicContact CB-CZ 3.09Å; N22-F24 WeakPolarHBondContact ND2-CE2 3.39Å; N22-F24 WeakPolarHBondContact ND2-CZ 3.48Å; N22-F24 VanDerWaalsContact O-CD2 3.27Å; N22-F24 WeakPolarHBondContact O-CD2 3.36Å; N22-F24 PolarHBondContact O-N 3.26Å; F24-F426 HydrophobicContact CD1-CD1 4.08Å; F24-F426 HydrophobicContact CD1-CD2 4.24Å; F24-F426 HydrophobicContact CD1-CE1 4.09Å; F24-F426 HydrophobicContact CD1-CE2 4.2Å; F24-F426 HydrophobicContact CD1-CG 4.17Å; F24-F426 HydrophobicContact CD1-CZ 4.14Å; F24-F426 HydrophobicContact CE1-CD1 4.37Å; F24-F426 AromaticContact CE1-CE1 3.95Å; F24-F426 HydrophobicContact CE1-CE1 3.95Å; F24-F426 HydrophobicContact CE1-CE2 4.4Å; F24-F426 AromaticContact CE1-CZ 3.95Å; F24-F426 HydrophobicContact CE1-CZ 3.95Å | ||
| 25 | N | 73.1 | Confident | 70.2 | Confident | 33 Ų | 33 | 48.2 Ų | 48.2 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | trans | -129.2 | 130.7 | -167.1 | -57.8 | -82.5 | 0 | 0 | 0 | 112.1 | V95 C96 I97 | N25-V95 VanDerWaalsContact ND2-C 3.26Å; N25-V95 PolarHBondContact ND2-O 3.45Å; N25-C96 WeakPolarHBondContact ND2-CA 3.13Å; N25-I97 HydrophobicContact CB-CB 4.46Å; N25-I97 HydrophobicContact CB-CG2 3.58Å | ||
| 26 | L | 85.6 | Confident | 68.8 | Low | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134 | 174.2 | 173.4 | 146.2 | 0 | 0 | 0 | 107.4 | F28 I46 C427 A443 L445 L450 | L26-F28 HydrophobicContact CD2-CD1 4.4Å; L26-I46 HydrophobicContact CD1-CG2 3.77Å; L26-I46 HydrophobicContact CG-CG2 4.01Å; L26-C427 HydrophobicContact CB-CB 4.13Å; L26-A443 HydrophobicContact CD1-CB 3.83Å; L26-L445 HydrophobicContact CB-CB 4.47Å; L26-L445 HydrophobicContact CB-CD2 4.15Å; L26-L450 HydrophobicContact CD1-CD1 3.62Å |
| 27 | T | 90.4 | Very high | 67.6 | Low | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 172.2 | 163.7 | -163.5 | 0 | 0 | 0 | 0 | 108.9 | L47 I97 A99 | T27-L47 HydrophobicContact CG2-CB 3.81Å; T27-L47 HydrophobicContact CG2-CD2 3.88Å; T27-L47 HydrophobicContact CG2-CG 4.11Å; T27-L47 PolarHBondContact N-O 3.04Å; T27-L47 PolarHBondContact O-N 2.66Å; T27-I97 HydrophobicContact CG2-CD1 3.94Å; T27-I97 HydrophobicContact CG2-CG1 4.05Å; T27-I97 HydrophobicContact CG2-CG2 3.95Å; T27-A99 HydrophobicContact CG2-CB 3.6Å; T27-A99 WeakPolarHBondContact OG1-CB 3.24Å; T27-A99 PolarHBondContact OG1-N 3.45Å; T27-A99 VanDerWaalsContact OG1-N 3.08Å |
| 28 | F | 90.7 | Very high | 66.7 | Low | 66 Ų | 66 | 62.2 Ų | 62.2 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 149.3 | -175.9 | 51.3 | -89.4 | 0 | 0 | 0 | 109.3 | L26 Y44 D45 P430 L432 | L26-F28 HydrophobicContact CD2-CD1 4.4Å; F28-Y44 AromaticContact CD2-CD1 3.95Å; F28-Y44 HydrophobicContact CD2-CD1 3.95Å; F28-Y44 HydrophobicContact CD2-CE1 4.32Å; F28-D45 CarbonylContact C-O 3.57Å; F28-D45 VanDerWaalsContact CA-O 3.26Å; F28-D45 WeakPolarHBondContact CA-O 3.35Å; F28-P430 HydrophobicContact CE1-CG 3.72Å; F28-P430 HydrophobicContact CE2-CG 4.39Å; F28-P430 HydrophobicContact CZ-CG 3.6Å; F28-L432 HydrophobicContact CB-CD1 3.9Å; F28-L432 HydrophobicContact CD1-CD1 4.06Å; F28-L432 HydrophobicContact CD2-CD1 4.36Å; F28-L432 HydrophobicContact CD2-CD2 3.92Å; F28-L432 HydrophobicContact CE2-CD2 4.09Å; F28-L432 HydrophobicContact CG-CD1 3.84Å; F28-L432 HydrophobicContact CG-CD2 4.24Å |
| 29 | L | 87 | Confident | 66.1 | Low | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 150.2 | -178.2 | -77.4 | 170.9 | 0 | 0 | 0 | 108.8 | S31 Y44 D45 L47 A99 Y108 V110 L134 | L29-S31 PolarHBondContact O-N 3.36Å; L29-Y44 CarbonylContact O-C 3.57Å; L29-Y44 WeakPolarHBondContact O-CA 3.42Å; L29-D45 PolarHBondContact N-O 2.66Å; L29-D45 PolarHBondContact O-N 2.86Å; L29-L47 HydrophobicContact CD1-CD2 4.48Å; L29-A99 HydrophobicContact CD1-CB 4.37Å; L29-A99 HydrophobicContact CD2-CB 3.44Å; L29-A99 VanDerWaalsContact CD2-CB 3.44Å; L29-A99 HydrophobicContact CG-CB 3.74Å; L29-Y108 HydrophobicContact CD2-CD1 3.91Å; L29-V110 HydrophobicContact CD1-CG2 4.09Å; L29-L134 HydrophobicContact CD1-CD2 4.19Å |
| 30 | K | 83.2 | Confident | 65.8 | Low | 46 Ų | 46 | 66.9 Ų | 66.9 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 124 | 168.6 | -174.5 | 179.4 | -173.7 | 175.4 | 0 | 108.9 | D32 T43 H101 E103 Y108 | K30-D32 PolarHBondContact O-N 3.11Å; K30-T43 WeakPolarHBondContact CA-O 3.09Å; K30-H101 HydrophobicContact CB-CB 4.23Å; K30-E103 IonicContact NZ-OE1 3.24Å; K30-E103 PolarHBondContact NZ-OE1 2.94Å; K30-E103 VanDerWaalsContact NZ-OE1 3.15Å; K30-Y108 WeakPolarHBondContact O-CE1 3.4Å; K30-Y108 VanDerWaalsContact O-CZ 3.29Å; K30-Y108 PolarHBondContact O-OH 2.99Å |
| 31 | S | 79.2 | Confident | 66.5 | Low | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -61.3 | 134.1 | -173.7 | -173.1 | 0 | 0 | 0 | 0 | 112.9 | L29 A33 T43 D45 H68 | L29-S31 PolarHBondContact O-N 3.36Å; S31-A33 VanDerWaalsContact C-N 3.31Å; S31-A33 PolarHBondContact OG-N 3.43Å; S31-T43 WeakPolarHBondContact CB-OG1 3.18Å; S31-T43 PolarHBondContact N-O 3.25Å; S31-D45 WeakPolarHBondContact CA-OD2 2.93Å; S31-D45 VanDerWaalsContact CB-CG 3.49Å; S31-D45 WeakPolarHBondContact CB-OD2 3.46Å; S31-D45 VanDerWaalsContact OG-CG 3.28Å; S31-D45 PolarHBondContact OG-OD1 3.5Å; S31-D45 PolarHBondContact OG-OD2 3.49Å; S31-H68 PolarHBondContact OG-ND1 3.18Å | ||
| 32 | D | 73.4 | Confident | 67.4 | Low | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.3 | -32 | 170.8 | -167.7 | 35.9 | 0 | 0 | 0 | 111.2 | K30 A34 K35 R36 Y108 E131 | K30-D32 PolarHBondContact O-N 3.11Å; D32-A34 PolarHBondContact O-N 2.95Å; D32-K35 WeakPolarHBondContact O-CB 3.19Å; D32-K35 PolarHBondContact O-N 3.44Å; D32-R36 PolarHBondContact O-N 3.42Å; D32-R36 IonicContact OD2-CZ 2.76Å; D32-R36 IonicContact OD2-NE 2.67Å; D32-R36 IonicContact OD2-NH2 3.55Å; D32-R36 PolarHBondContact OD2-NH2 2.88Å; D32-Y108 WeakPolarHBondContact CA-OH 3.4Å; D32-Y108 HydrophobicContact CB-CE2 4.49Å; D32-Y108 PolarHBondContact N-OH 2.63Å; D32-E131 HydrophobicContact CB-CB 4.19Å |
| 33 | A | 64.3 | Low | 68.9 | Low | 45 Ų | 45 | 62.9 Ų | 62.9 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S31 K35 R36 S37 H68 | S31-A33 VanDerWaalsContact C-N 3.31Å; S31-A33 PolarHBondContact OG-N 3.43Å; A33-K35 VanDerWaalsContact C-N 3.27Å; A33-K35 PolarHBondContact O-N 3.31Å; A33-R36 PolarHBondContact O-N 3.24Å; A33-R36 VanDerWaalsContact O-N 3.14Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-H68 VanDerWaalsContact CB-CE1 3.45Å; A33-H68 WeakPolarHBondContact CB-CE1 3.4Å |
| 34 | A | 59.9 | Low | 70.6 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 12% | 0.116 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -29 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D32 S37 R41 T43 | D32-A34 PolarHBondContact O-N 2.95Å; A34-S37 PolarHBondContact O-N 3.18Å; A34-R41 WeakPolarHBondContact CB-O 3.4Å; A34-T43 HydrophobicContact CB-CG2 3.81Å; A34-T43 WeakPolarHBondContact CB-OG1 3.49Å |
| 35 | K | 61.3 | Low | 71.9 | Confident | 62 Ų | 62 | 62 Ų | 62 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.5 | -33.6 | 173.2 | -63 | 178.6 | -177.8 | 177.4 | 0 | 112.9 | D32 A33 S37 H101 D106 Y108 | D32-K35 WeakPolarHBondContact O-CB 3.19Å; D32-K35 PolarHBondContact O-N 3.44Å; A33-K35 VanDerWaalsContact C-N 3.27Å; A33-K35 PolarHBondContact O-N 3.31Å; K35-S37 VanDerWaalsContact C-N 3.27Å; K35-H101 PolarHBondContact NZ-NE2 2.96Å; K35-D106 IonicContact NZ-OD1 3.63Å; K35-D106 PolarHBondContact NZ-OD1 2.8Å; K35-Y108 WeakPolarHBondContact CE-OH 3.43Å; K35-Y108 VanDerWaalsContact NZ-CZ 3.25Å; K35-Y108 PolarHBondContact NZ-OH 2.88Å |
| 36 | R | 57.6 | Low | 72.7 | Confident | 168 Ų | 168 | 60.5 Ų | 60.5 | 63% | 0.634 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -74.3 | -21.3 | 178 | -63.7 | 179.8 | -168.1 | -176.4 | 6.6 | 111.9 | D32 A33 | D32-R36 PolarHBondContact O-N 3.42Å; D32-R36 IonicContact OD2-CZ 2.76Å; D32-R36 IonicContact OD2-NE 2.67Å; D32-R36 IonicContact OD2-NH2 3.55Å; D32-R36 PolarHBondContact OD2-NH2 2.88Å; A33-R36 PolarHBondContact O-N 3.24Å; A33-R36 VanDerWaalsContact O-N 3.14Å |
| 37 | S | 58.9 | Low | 72.8 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -73.2 | 141.9 | 171.6 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | A33 A34 K35 T39 | A33-S37 PolarHBondContact O-N 2.89Å; A34-S37 PolarHBondContact O-N 3.18Å; K35-S37 VanDerWaalsContact C-N 3.27Å; S37-T39 PolarHBondContact O-N 2.95Å; S37-T39 PolarHBondContact OG-N 3.43Å; S37-T39 PolarHBondContact OG-OG1 3.22Å |
| 38 | K | 55.2 | Low | 72.6 | Confident | 218 Ų | 218 | 59.8 Ų | 59.8 | 95% | 0.948 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -66.9 | -17.4 | 172.6 | -70.3 | -177.2 | -179.9 | 177.6 | 0 | 112.8 | ||
| 39 | T | 53.5 | Low | 72.1 | Confident | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -82 | 116.1 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 107.5 | S37 R41 | S37-T39 PolarHBondContact O-N 2.95Å; S37-T39 PolarHBondContact OG-N 3.43Å; S37-T39 PolarHBondContact OG-OG1 3.22Å; T39-R41 PolarHBondContact O-N 3.05Å |
| 40 | N | 50.7 | Low | 71.3 | Confident | 173 Ų | 173 | 57.9 Ų | 57.9 | 93% | 0.925 | 28% | 0.278 | S | S | * | . | trans | -71.3 | 40 | -175.4 | -142.1 | 12.4 | 0 | 0 | 0 | 112.6 | ||||
| 41 | R | 62.4 | Low | 70.3 | Confident | 119 Ų | 119 | 57.8 Ų | 57.8 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | trans | -77 | 128.3 | -172.7 | -70.5 | 172.2 | 176.2 | -165.4 | 0 | 108.8 | A34 T39 T43 G436 | A34-R41 WeakPolarHBondContact CB-O 3.4Å; T39-R41 PolarHBondContact O-N 3.05Å; R41-T43 HydrophobicContact CB-CG2 4.36Å; R41-T43 PolarHBondContact O-N 3.31Å; R41-G436 WeakPolarHBondContact CD-O 3.22Å; R41-G436 WeakPolarHBondContact CG-O 3.16Å; R41-G436 PolarHBondContact NE-O 3.33Å | ||
| 42 | K | 64.6 | Low | 69.3 | Low | 113 Ų | 113 | 62.8 Ų | 62.8 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | trans | -80.2 | 102.4 | 170.8 | -68.8 | -171.5 | 178.2 | -167.4 | 0 | 107.2 | ||||
| 43 | T | 81.6 | Confident | 68.4 | Low | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | trans | -108.2 | 156.3 | 167.9 | 78.4 | 0 | 0 | 0 | 0 | 110.1 | K30 S31 A34 R41 D433 I435 | K30-T43 WeakPolarHBondContact CA-O 3.09Å; S31-T43 WeakPolarHBondContact CB-OG1 3.18Å; S31-T43 PolarHBondContact N-O 3.25Å; A34-T43 HydrophobicContact CB-CG2 3.81Å; A34-T43 WeakPolarHBondContact CB-OG1 3.49Å; R41-T43 HydrophobicContact CB-CG2 4.36Å; R41-T43 PolarHBondContact O-N 3.31Å; T43-D433 VanDerWaalsContact CA-O 3.31Å; T43-D433 WeakPolarHBondContact CA-O 3.26Å; T43-I435 VanDerWaalsContact CG2-C 3.46Å | ||
| 44 | Y | 87.4 | Confident | 67.9 | Low | 68 Ų | 68 | 66.1 Ų | 66.1 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.7 | 178.2 | -64.1 | -89.8 | 0 | 0 | 0 | 111.2 | F28 L29 L432 D433 L434 | F28-Y44 AromaticContact CD2-CD1 3.95Å; F28-Y44 HydrophobicContact CD2-CD1 3.95Å; F28-Y44 HydrophobicContact CD2-CE1 4.32Å; L29-Y44 CarbonylContact O-C 3.57Å; L29-Y44 WeakPolarHBondContact O-CA 3.42Å; Y44-L432 HydrophobicContact CD1-CD2 4.29Å; Y44-L432 HydrophobicContact CD2-CB 4.42Å; Y44-L432 HydrophobicContact CD2-CD2 3.95Å; Y44-L432 HydrophobicContact CE2-CD2 4.26Å; Y44-L432 HydrophobicContact CG-CD2 3.96Å; Y44-D433 PolarHBondContact N-O 3.48Å; Y44-L434 WeakPolarHBondContact O-CD2 3.08Å |
| 45 | D | 89 | Confident | 67.7 | Low | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 141.1 | 169.6 | -66.1 | -27.9 | 0 | 0 | 0 | 109 | F28 L29 S31 I66 H68 | F28-D45 CarbonylContact C-O 3.57Å; F28-D45 VanDerWaalsContact CA-O 3.26Å; F28-D45 WeakPolarHBondContact CA-O 3.35Å; L29-D45 PolarHBondContact N-O 2.66Å; L29-D45 PolarHBondContact O-N 2.86Å; S31-D45 WeakPolarHBondContact CA-OD2 2.93Å; S31-D45 VanDerWaalsContact CB-CG 3.49Å; S31-D45 WeakPolarHBondContact CB-OD2 3.46Å; S31-D45 VanDerWaalsContact OG-CG 3.28Å; S31-D45 PolarHBondContact OG-OD1 3.5Å; S31-D45 PolarHBondContact OG-OD2 3.49Å; D45-I66 HydrophobicContact CB-CG2 4.01Å; D45-H68 WeakPolarHBondContact OD1-CA 3.27Å; D45-H68 IonicContact OD1-CE1 2.9Å; D45-H68 IonicContact OD1-CG 2.7Å; D45-H68 IonicContact OD1-ND1 3.41Å; D45-H68 PolarHBondContact OD1-ND1 2.67Å; D45-H68 IonicContact OD2-ND1 2.83Å |
| 46 | I | 90.1 | Very high | 67.4 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123 | -178.6 | -57.6 | 172 | 0 | 0 | 0 | 108.3 | L26 V48 I66 H67 F69 L434 A443 L450 I452 | L26-I46 HydrophobicContact CD1-CG2 3.77Å; L26-I46 HydrophobicContact CG-CG2 4.01Å; I46-V48 HydrophobicContact CG2-CG2 3.8Å; I46-I66 CarbonylContact O-C 3.5Å; I46-I66 WeakPolarHBondContact O-CA 3.2Å; I46-H67 HydrophobicContact CB-CB 4.32Å; I46-H67 PolarHBondContact N-O 3.16Å; I46-H67 PolarHBondContact O-N 3.19Å; I46-F69 HydrophobicContact CD1-CE2 3.85Å; I46-F69 HydrophobicContact CD1-CZ 4.22Å; I46-F69 HydrophobicContact CG1-CE2 4.27Å; I46-L434 HydrophobicContact CD1-CD1 3.99Å; I46-L434 HydrophobicContact CD1-CD2 3.93Å; I46-L434 HydrophobicContact CG1-CD2 3.9Å; I46-A443 HydrophobicContact CD1-CB 3.61Å; I46-L450 HydrophobicContact CD1-CD2 4.47Å; I46-L450 HydrophobicContact CG2-CD2 4.1Å; I46-I452 HydrophobicContact CD1-CD1 3.35Å |
| 47 | L | 88.4 | Confident | 67.5 | Low | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.1 | 175.1 | 178.9 | 63.4 | 0 | 0 | 0 | 109.5 | T27 L29 F64 I66 I83 F85 I97 V110 | T27-L47 HydrophobicContact CG2-CB 3.81Å; T27-L47 HydrophobicContact CG2-CD2 3.88Å; T27-L47 HydrophobicContact CG2-CG 4.11Å; T27-L47 PolarHBondContact N-O 3.04Å; T27-L47 PolarHBondContact O-N 2.66Å; L29-L47 HydrophobicContact CD1-CD2 4.48Å; L47-F64 HydrophobicContact CD1-CB 3.82Å; L47-F64 HydrophobicContact CD1-CD1 4.34Å; L47-I66 HydrophobicContact CD1-CG1 3.77Å; L47-I83 HydrophobicContact CD1-CD1 3.92Å; L47-F85 HydrophobicContact CD2-CZ 4.4Å; L47-I97 HydrophobicContact CD2-CD1 3.59Å; L47-I97 HydrophobicContact CG-CD1 3.98Å; L47-V110 HydrophobicContact CD2-CG1 4.18Å; L47-V110 HydrophobicContact CD2-CG2 3.99Å |
| 48 | V | 85.4 | Confident | 67.3 | Low | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.2 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 110 | V23 I46 F64 S65 L445 L450 | V23-V48 HydrophobicContact CG1-CG1 3.2Å; I46-V48 HydrophobicContact CG2-CG2 3.8Å; V48-F64 CarbonylContact O-C 3.6Å; V48-F64 VanDerWaalsContact O-CA 3.32Å; V48-F64 WeakPolarHBondContact O-CA 3.44Å; V48-S65 PolarHBondContact N-O 3.17Å; V48-S65 PolarHBondContact O-N 3.16Å; V48-L445 HydrophobicContact CG1-CD1 4.38Å; V48-L450 HydrophobicContact CG2-CD1 4.39Å; V48-L450 HydrophobicContact CG2-CD2 3.91Å |
| 49 | A | 80.3 | Confident | 67.3 | Low | 6 Ų | 6 | 65.1 Ų | 65.1 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V23 F64 I94 | V23-A49 VanDerWaalsContact CG1-O 3.3Å; V23-A49 WeakPolarHBondContact CG1-O 3.34Å; A49-F64 HydrophobicContact CB-CD1 3.78Å; A49-F64 HydrophobicContact CB-CE1 3.71Å; A49-I94 HydrophobicContact CB-CD1 3.96Å; A49-I94 HydrophobicContact CB-CG2 4.04Å |
| 50 | F | 71.5 | Confident | 67.4 | Low | 23 Ų | 23 | 64.7 Ų | 64.7 | 10% | 0.101 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 159.3 | 178.7 | 66.3 | -79.5 | 0 | 0 | 0 | 111.9 | V23 S63 S65 | V23-F50 HydrophobicContact CG1-CB 4.2Å; V23-F50 HydrophobicContact CG2-CB 3.73Å; F50-S63 WeakPolarHBondContact CD1-O 3.25Å; F50-S63 WeakPolarHBondContact CE1-O 3.26Å; F50-S63 WeakPolarHBondContact CE2-OG 3.47Å; F50-S63 WeakPolarHBondContact CZ-OG 3.4Å; F50-S63 PolarHBondContact N-O 3.4Å; F50-S63 PolarHBondContact O-N 2.97Å; F50-S65 WeakPolarHBondContact CE1-OG 3.47Å |
| 51 | F | 62.1 | Low | 67.6 | Low | 43 Ų | 43 | 60.4 Ų | 60.4 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 139.7 | 171.8 | -171.5 | -96.6 | 0 | 0 | 0 | 110 | A19 S21 V54 K61 Y62 | A19-F51 HydrophobicContact CB-CB 3.77Å; A19-F51 HydrophobicContact CB-CD1 3.77Å; A19-F51 HydrophobicContact CB-CG 4.25Å; A19-F51 WeakPolarHBondContact CB-O 3.1Å; S21-F51 WeakPolarHBondContact OG-CB 3.3Å; S21-F51 WeakPolarHBondContact OG-CG 3.45Å; F51-V54 HydrophobicContact CE1-CG2 4.49Å; F51-V54 HydrophobicContact CZ-CG2 4.24Å; F51-K61 HydrophobicContact CE2-CB 4.42Å; F51-Y62 AromaticContact CD2-CD1 3.73Å; F51-Y62 HydrophobicContact CD2-CD1 3.73Å; F51-Y62 AromaticContact CD2-CE1 3.28Å; F51-Y62 HydrophobicContact CD2-CE1 3.28Å; F51-Y62 AromaticContact CD2-CZ 4Å; F51-Y62 HydrophobicContact CE2-CD1 4.28Å; F51-Y62 AromaticContact CE2-CE1 3.55Å; F51-Y62 HydrophobicContact CE2-CE1 3.55Å; F51-Y62 AromaticContact CE2-CZ 3.76Å; F51-Y62 HydrophobicContact CG-CE1 4.49Å |
| 52 | R | 58.7 | Low | 67.4 | Low | 105 Ų | 105 | 56 Ų | 56 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 128 | 169.2 | -161.4 | 173.4 | -172.2 | 160.6 | 2.3 | 107.7 | V54 K61 | R52-V54 PolarHBondContact O-N 3.07Å; R52-K61 WeakPolarHBondContact CB-O 3.46Å; R52-K61 PolarHBondContact N-O 2.93Å |
| 53 | P | 53.8 | Low | 67.4 | Low | 53 Ų | 53 | 50.7 Ų | 50.7 | 34% | 0.344 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -53 | 136.8 | 171 | -21.3 | 30.9 | 0 | 0 | 0 | 110 | L18 A19 S55 | L18-P53 WeakPolarHBondContact O-CG 3.44Å; A19-P53 HydrophobicContact CB-CG 4.25Å; P53-S55 PolarHBondContact O-N 3.11Å |
| 54 | V | 53.3 | Low | 67.2 | Low | 84 Ų | 84 | 50.4 Ų | 50.4 | 51% | 0.509 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -70.7 | 72.9 | 174 | -170 | 0 | 0 | 0 | 0 | 108.7 | F51 R52 K61 | F51-V54 HydrophobicContact CE1-CG2 4.49Å; F51-V54 HydrophobicContact CZ-CG2 4.24Å; R52-V54 PolarHBondContact O-N 3.07Å; V54-K61 HydrophobicContact CG2-CD 3.84Å; V54-K61 HydrophobicContact CG2-CG 4.04Å |
| 55 | S | 55.5 | Low | 66.7 | Low | 107 Ų | 107 | 47.6 Ų | 47.6 | 75% | 0.748 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -89.1 | -27.1 | 167.7 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | P53 | P53-S55 PolarHBondContact O-N 3.11Š|
| 56 | D | 56.1 | Low | 66.4 | Low | 76 Ų | 76 | 48 Ų | 48 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | trans | -122.7 | 115.4 | 175.8 | -175.7 | -0.5 | 0 | 0 | 0 | 110 | L58 A59 | D56-L58 PolarHBondContact O-N 2.78Å; D56-L58 WeakPolarHBondContact OD1-CB 3.32Å; D56-L58 PolarHBondContact OD1-N 2.98Å; D56-A59 HydrophobicContact CB-CB 3.87Å; D56-A59 PolarHBondContact O-N 3.27Å | ||
| 57 | P | 58.1 | Low | 66.1 | Low | 117 Ų | 117 | 48.3 Ų | 48.3 | 76% | 0.76 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13.2 | 175.3 | 25.7 | -31.8 | 0 | 0 | 0 | 113.8 | ||
| 58 | L | 56.5 | Low | 65.9 | Low | 164 Ų | 164 | 49.6 Ų | 49.6 | 86% | 0.859 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -15.5 | 175.8 | -64.6 | 165.2 | 0 | 0 | 0 | 113.2 | D56 | D56-L58 PolarHBondContact O-N 2.78Å; D56-L58 WeakPolarHBondContact OD1-CB 3.32Å; D56-L58 PolarHBondContact OD1-N 2.98Å |
| 59 | A | 55.2 | Low | 65.8 | Low | 33 Ų | 33 | 49.6 Ų | 49.6 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -79.8 | 146.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | D56 K61 | D56-A59 HydrophobicContact CB-CB 3.87Å; D56-A59 PolarHBondContact O-N 3.27Å; A59-K61 PolarHBondContact O-N 3.33Å |
| 60 | S | 54.2 | Low | 65.8 | Low | 53 Ų | 53 | 54 Ų | 54 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | trans | -51.7 | 126.9 | 163.4 | 42 | 0 | 0 | 0 | 0 | 108.6 | Y62 D84 | S60-Y62 PolarHBondContact O-N 3.28Å; S60-Y62 PolarHBondContact OG-O 2.75Å; S60-D84 PolarHBondContact OG-OD1 3.41Å | ||
| 61 | K | 54.5 | Low | 66.1 | Low | 83 Ų | 83 | 55 Ų | 55 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -63.6 | -7.1 | 177 | -67.1 | -166 | -167.4 | 163.7 | 0 | 113.1 | F51 R52 V54 A59 G90 | F51-K61 HydrophobicContact CE2-CB 4.42Å; R52-K61 WeakPolarHBondContact CB-O 3.46Å; R52-K61 PolarHBondContact N-O 2.93Å; V54-K61 HydrophobicContact CG2-CD 3.84Å; V54-K61 HydrophobicContact CG2-CG 4.04Å; A59-K61 PolarHBondContact O-N 3.33Å; K61-G90 VanDerWaalsContact CD-O 3.25Å; K61-G90 WeakPolarHBondContact CD-O 3.33Å |
| 62 | Y | 60.2 | Low | 66.8 | Low | 26 Ų | 26 | 58 Ų | 58 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.5 | -172.3 | -51.5 | -86.4 | 0 | 0 | 0 | 109.9 | F51 S60 G90 S92 D93 | F51-Y62 AromaticContact CD2-CD1 3.73Å; F51-Y62 HydrophobicContact CD2-CD1 3.73Å; F51-Y62 AromaticContact CD2-CE1 3.28Å; F51-Y62 HydrophobicContact CD2-CE1 3.28Å; F51-Y62 AromaticContact CD2-CZ 4Å; F51-Y62 HydrophobicContact CE2-CD1 4.28Å; F51-Y62 AromaticContact CE2-CE1 3.55Å; F51-Y62 HydrophobicContact CE2-CE1 3.55Å; F51-Y62 AromaticContact CE2-CZ 3.76Å; F51-Y62 HydrophobicContact CG-CE1 4.49Å; S60-Y62 PolarHBondContact O-N 3.28Å; S60-Y62 PolarHBondContact OG-O 2.75Å; Y62-G90 WeakPolarHBondContact CE2-O 3.31Å; Y62-S92 WeakPolarHBondContact CE1-O 3.28Å; Y62-S92 VanDerWaalsContact CE2-O 3.29Å; Y62-S92 WeakPolarHBondContact CE2-O 3.49Å; Y62-S92 PolarHBondContact OH-N 2.69Å; Y62-S92 PolarHBondContact OH-O 2.98Å; Y62-D93 PolarHBondContact OH-OD1 3.09Å |
| 63 | S | 64.2 | Low | 67.8 | Low | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.5 | 175.2 | 32.8 | 0 | 0 | 0 | 0 | 108.2 | F50 | F50-S63 WeakPolarHBondContact CD1-O 3.25Å; F50-S63 WeakPolarHBondContact CE1-O 3.26Å; F50-S63 WeakPolarHBondContact CE2-OG 3.47Å; F50-S63 WeakPolarHBondContact CZ-OG 3.4Å; F50-S63 PolarHBondContact N-O 3.4Å; F50-S63 PolarHBondContact O-N 2.97Å |
| 64 | F | 75.7 | Confident | 68.8 | Low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.9 | 166.6 | -56.7 | -111.5 | 0 | 0 | 0 | 107.3 | L47 V48 A49 T82 I83 F85 L88 I94 I97 I112 | L47-F64 HydrophobicContact CD1-CB 3.82Å; L47-F64 HydrophobicContact CD1-CD1 4.34Å; V48-F64 CarbonylContact O-C 3.6Å; V48-F64 VanDerWaalsContact O-CA 3.32Å; V48-F64 WeakPolarHBondContact O-CA 3.44Å; A49-F64 HydrophobicContact CB-CD1 3.78Å; A49-F64 HydrophobicContact CB-CE1 3.71Å; F64-T82 CarbonylContact O-C 3.49Å; F64-T82 VanDerWaalsContact O-CA 3.3Å; F64-T82 WeakPolarHBondContact O-CA 3.35Å; F64-I83 HydrophobicContact CB-CD1 4.13Å; F64-I83 HydrophobicContact CB-CG1 3.62Å; F64-I83 PolarHBondContact N-O 2.99Å; F64-I83 PolarHBondContact O-N 3.08Å; F64-F85 HydrophobicContact CB-CD2 4.33Å; F64-F85 HydrophobicContact CB-CE2 4.03Å; F64-F85 HydrophobicContact CD1-CD2 4.11Å; F64-F85 AromaticContact CD1-CE2 3.83Å; F64-F85 HydrophobicContact CD1-CE2 3.83Å; F64-F85 AromaticContact CD2-CD2 3.26Å; F64-F85 HydrophobicContact CD2-CD2 3.26Å; F64-F85 AromaticContact CD2-CE2 3.76Å; F64-F85 HydrophobicContact CD2-CE2 3.76Å; F64-F85 HydrophobicContact CD2-CG 4.31Å; F64-F85 HydrophobicContact CE1-CD2 4.24Å; F64-F85 HydrophobicContact CE1-CE2 4.22Å; F64-F85 HydrophobicContact CE2-CB 4.1Å; F64-F85 AromaticContact CE2-CD2 3.43Å; F64-F85 HydrophobicContact CE2-CD2 3.43Å; F64-F85 VanDerWaalsContact CE2-CD2 3.43Å; F64-F85 HydrophobicContact CE2-CE2 4.16Å; F64-F85 HydrophobicContact CE2-CG 4.1Å; F64-F85 AromaticContact CG-CD2 3.64Å; F64-F85 HydrophobicContact CG-CD2 3.64Å; F64-F85 AromaticContact CG-CE2 3.59Å; F64-F85 HydrophobicContact CG-CE2 3.59Å; F64-F85 AromaticContact CZ-CD2 3.94Å; F64-F85 HydrophobicContact CZ-CD2 3.94Å; F64-F85 HydrophobicContact CZ-CE2 4.38Å; F64-F85 HydrophobicContact CZ-CG 4.5Å; F64-L88 HydrophobicContact CE2-CD1 3.48Å; F64-L88 VanDerWaalsContact CE2-CD1 3.48Å; F64-L88 HydrophobicContact CZ-CD1 3.61Å; F64-I94 HydrophobicContact CE1-CD1 3.82Å; F64-I94 HydrophobicContact CE2-CD1 3.93Å; F64-I94 HydrophobicContact CZ-CD1 3.33Å; F64-I94 HydrophobicContact CZ-CG1 4.36Å; F64-I97 HydrophobicContact CD1-CD1 4.03Å; F64-I97 HydrophobicContact CE1-CD1 3.87Å; F64-I112 HydrophobicContact CE1-CD1 3.69Å; F64-I112 HydrophobicContact CE1-CG2 4.4Å; F64-I112 HydrophobicContact CE2-CD1 4.37Å; F64-I112 HydrophobicContact CZ-CD1 3.51Å; F64-I112 HydrophobicContact CZ-CG2 4.15Å |
| 65 | S | 78.5 | Confident | 70 | Confident | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.3 | 172.6 | -82.8 | 0 | 0 | 0 | 0 | 107.5 | V48 F50 H67 K81 | V48-S65 PolarHBondContact N-O 3.17Å; V48-S65 PolarHBondContact O-N 3.16Å; F50-S65 WeakPolarHBondContact CE1-OG 3.47Å; S65-H67 WeakPolarHBondContact CB-NE2 3.16Å; S65-K81 WeakPolarHBondContact CA-O 3.44Å |
| 66 | I | 81.3 | Confident | 71.2 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123 | 159.8 | -65.5 | 167 | 0 | 0 | 0 | 106.4 | D45 I46 L47 T80 K81 I83 E131 | D45-I66 HydrophobicContact CB-CG2 4.01Å; I46-I66 CarbonylContact O-C 3.5Å; I46-I66 WeakPolarHBondContact O-CA 3.2Å; L47-I66 HydrophobicContact CD1-CG1 3.77Å; I66-T80 CarbonylContact O-C 3.55Å; I66-T80 WeakPolarHBondContact O-CA 3.44Å; I66-K81 PolarHBondContact N-O 3.45Å; I66-K81 PolarHBondContact O-N 3.49Å; I66-I83 HydrophobicContact CD1-CD1 3.52Å; I66-I83 HydrophobicContact CD1-CG1 4.37Å; I66-I83 HydrophobicContact CD1-CG2 3.97Å; I66-I83 HydrophobicContact CG1-CD1 3.8Å; I66-I83 HydrophobicContact CG1-CG1 4.48Å; I66-E131 HydrophobicContact CD1-CG 3.69Å; I66-E131 VanDerWaalsContact CD1-OE1 3.29Å; I66-E131 WeakPolarHBondContact CD1-OE1 3.47Å; I66-E131 WeakPolarHBondContact CG2-OE1 3.26Å |
| 67 | H | 84.7 | Confident | 72.4 | Confident | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 108.4 | 168.8 | -56.8 | -82.8 | 0 | 0 | 0 | 108.1 | F15 I46 S65 F69 T80 | F15-H67 AromaticContact CD1-CE1 3.87Å; F15-H67 AromaticContact CD1-ND1 3.92Å; F15-H67 AromaticContact CE1-ND1 3.87Å; F15-H67 AromaticContact CG-CE1 3.77Å; F15-H67 AromaticContact CZ-ND1 3.93Å; I46-H67 HydrophobicContact CB-CB 4.32Å; I46-H67 PolarHBondContact N-O 3.16Å; I46-H67 PolarHBondContact O-N 3.19Å; S65-H67 WeakPolarHBondContact CB-NE2 3.16Å; H67-F69 HydrophobicContact CB-CE2 4Å; H67-F69 HydrophobicContact CB-CZ 4Å; H67-T80 PolarHBondContact ND1-OG1 3.47Å |
| 68 | H | 84.3 | Confident | 73.8 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 13% | 0.13 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.4 | 169.7 | 177.3 | 65.4 | 0 | 0 | 0 | 109.3 | S31 A33 D45 P78 L79 | S31-H68 PolarHBondContact OG-ND1 3.18Å; A33-H68 VanDerWaalsContact CB-CE1 3.45Å; A33-H68 WeakPolarHBondContact CB-CE1 3.4Å; D45-H68 WeakPolarHBondContact OD1-CA 3.27Å; D45-H68 IonicContact OD1-CE1 2.9Å; D45-H68 IonicContact OD1-CG 2.7Å; D45-H68 IonicContact OD1-ND1 3.41Å; D45-H68 PolarHBondContact OD1-ND1 2.67Å; D45-H68 IonicContact OD2-ND1 2.83Å; H68-P78 CarbonylContact O-C 3.52Å; H68-P78 WeakPolarHBondContact O-CA 3.34Å; H68-L79 HydrophobicContact CB-CB 4.24Å; H68-L79 PolarHBondContact N-O 2.82Å; H68-L79 PolarHBondContact O-N 3.2Å |
| 69 | F | 83.9 | Confident | 75.1 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.9 | 178.8 | -58.8 | -89.6 | 0 | 0 | 0 | 109.5 | F13 F15 I46 H67 I76 P78 L434 I435 I452 | F13-F69 AromaticContact CD2-CD1 3.97Å; F13-F69 HydrophobicContact CD2-CD1 3.97Å; F13-F69 AromaticContact CD2-CE1 3.54Å; F13-F69 HydrophobicContact CD2-CE1 3.54Å; F13-F69 AromaticContact CE2-CD1 3.75Å; F13-F69 HydrophobicContact CE2-CD1 3.75Å; F13-F69 AromaticContact CE2-CE1 3.84Å; F13-F69 HydrophobicContact CE2-CE1 3.84Å; F13-F69 HydrophobicContact CG-CE1 4.43Å; F15-F69 HydrophobicContact CE2-CE1 4.39Å; F15-F69 HydrophobicContact CE2-CZ 4.34Å; F15-F69 HydrophobicContact CZ-CE1 4.27Å; I46-F69 HydrophobicContact CD1-CE2 3.85Å; I46-F69 HydrophobicContact CD1-CZ 4.22Å; I46-F69 HydrophobicContact CG1-CE2 4.27Å; H67-F69 HydrophobicContact CB-CE2 4Å; H67-F69 HydrophobicContact CB-CZ 4Å; F69-I76 HydrophobicContact CB-CG2 4.43Å; F69-I76 HydrophobicContact CD1-CG2 4.46Å; F69-P78 HydrophobicContact CD1-CB 4.03Å; F69-P78 HydrophobicContact CE1-CB 3.87Å; F69-L434 HydrophobicContact CB-CB 4.48Å; F69-L434 HydrophobicContact CD2-CB 3.89Å; F69-L434 HydrophobicContact CD2-CD1 4.12Å; F69-L434 HydrophobicContact CD2-CD2 4.48Å; F69-L434 HydrophobicContact CD2-CG 4.38Å; F69-L434 HydrophobicContact CE2-CB 4.5Å; F69-L434 HydrophobicContact CE2-CD1 3.92Å; F69-L434 HydrophobicContact CE2-CD2 4.46Å; F69-L434 HydrophobicContact CG-CB 4.29Å; F69-L434 HydrophobicContact CZ-CD1 4.33Å; F69-I435 HydrophobicContact CB-CG1 4.17Å; F69-I452 HydrophobicContact CE1-CG1 4.11Å; F69-I452 HydrophobicContact CZ-CD1 4Å; F69-I452 HydrophobicContact CZ-CG1 3.77Å |
| 70 | D | 80.3 | Confident | 76.5 | Confident | 98 Ų | 98 | 60.4 Ų | 60.4 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 165.5 | 176.7 | -160.6 | 1.5 | 0 | 0 | 0 | 110 | I76 Q77 | D70-I76 CarbonylContact O-C 3.56Å; D70-I76 WeakPolarHBondContact O-CA 3.21Å; D70-Q77 PolarHBondContact N-O 2.85Å; D70-Q77 PolarHBondContact O-N 3.32Å |
| 71 | V | 77.8 | Confident | 77.8 | Confident | 46 Ų | 46 | 62 Ų | 62 | 28% | 0.279 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 109.1 | 175.3 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | I76 I435 | V71-I76 HydrophobicContact CG2-CG1 4.49Å; V71-I435 HydrophobicContact CG2-CG2 3.15Å |
| 72 | E | 76.8 | Confident | 79 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 50% | 0.495 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.1 | 171.2 | -167.7 | 178.4 | -156.5 | 0 | 0 | 108.8 | K74 I75 Q77 | E72-K74 PolarHBondContact O-N 2.73Å; E72-K74 VanDerWaalsContact O-N 3.1Å; E72-I75 PolarHBondContact N-O 3.06Å; E72-I75 WeakPolarHBondContact O-CA 3.38Å; E72-I75 PolarHBondContact O-N 3.47Å; E72-Q77 HydrophobicContact CB-CG 4.47Å; E72-Q77 PolarHBondContact OE2-NE2 2.99Å; E72-Q77 PolarHBondContact OE2-OE1 3.13Å |
| 73 | D | 79.3 | Confident | 80 | Confident | 141 Ų | 141 | 60.6 Ų | 60.6 | 75% | 0.754 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 34.4 | 179.5 | -66.3 | -31.4 | 0 | 0 | 0 | 115.3 | I75 | D73-I75 PolarHBondContact O-N 3.32Š|
| 74 | K | 73.9 | Confident | 80.7 | Confident | 199 Ų | 199 | 64.8 Ų | 64.8 | 87% | 0.865 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 13.6 | -174.9 | -47.9 | 177.5 | 179.1 | -179.8 | 0 | 114.5 | E72 | E72-K74 PolarHBondContact O-N 2.73Å; E72-K74 VanDerWaalsContact O-N 3.1Å |
| 75 | I | 78.3 | Confident | 81.1 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 57% | 0.574 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.4 | 173.4 | -59 | 174.2 | 0 | 0 | 0 | 107.2 | E72 D73 Q77 | E72-I75 PolarHBondContact N-O 3.06Å; E72-I75 WeakPolarHBondContact O-CA 3.38Å; E72-I75 PolarHBondContact O-N 3.47Å; D73-I75 PolarHBondContact O-N 3.32Å; I75-Q77 PolarHBondContact O-N 3.28Å |
| 76 | I | 80.6 | Confident | 81.3 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.1 | 175.1 | -53.8 | 165.7 | 0 | 0 | 0 | 106.8 | L12 F13 F69 D70 V71 I435 | L12-I76 HydrophobicContact CD1-CD1 4.49Å; L12-I76 HydrophobicContact CD2-CB 4.12Å; L12-I76 HydrophobicContact CD2-CD1 3.55Å; L12-I76 HydrophobicContact CD2-CG1 4.43Å; L12-I76 HydrophobicContact CD2-CG2 4.05Å; F13-I76 HydrophobicContact CE2-CB 4.32Å; F13-I76 HydrophobicContact CE2-CG2 3.68Å; F13-I76 HydrophobicContact CZ-CB 4.06Å; F13-I76 HydrophobicContact CZ-CG2 3.81Å; F13-I76 VanDerWaalsContact CZ-O 3.29Å; F13-I76 WeakPolarHBondContact CZ-O 3.43Å; F69-I76 HydrophobicContact CB-CG2 4.43Å; F69-I76 HydrophobicContact CD1-CG2 4.46Å; D70-I76 CarbonylContact O-C 3.56Å; D70-I76 WeakPolarHBondContact O-CA 3.21Å; V71-I76 HydrophobicContact CG2-CG1 4.49Å; I76-I435 HydrophobicContact CB-CD1 4.2Å; I76-I435 HydrophobicContact CD1-CD1 3.26Å; I76-I435 HydrophobicContact CG1-CD1 3.61Å; I76-I435 HydrophobicContact CG2-CD1 3.54Å; I76-I435 HydrophobicContact CG2-CG1 4.22Å |
| 77 | Q | 82.8 | Confident | 81.2 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.9 | 177 | -69.1 | -166.1 | 13.9 | 0 | 0 | 110.2 | D70 E72 I75 | D70-Q77 PolarHBondContact N-O 2.85Å; D70-Q77 PolarHBondContact O-N 3.32Å; E72-Q77 HydrophobicContact CB-CG 4.47Å; E72-Q77 PolarHBondContact OE2-NE2 2.99Å; E72-Q77 PolarHBondContact OE2-OE1 3.13Å; I75-Q77 PolarHBondContact O-N 3.28Å |
| 78 | P | 86.6 | Confident | 80.9 | Confident | 47 Ų | 47 | 75 Ų | 75 | 31% | 0.305 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118 | 173.8 | 33.1 | -29 | 0 | 0 | 0 | 110.3 | F13 F15 H68 F69 | F13-P78 HydrophobicContact CD1-CB 4.46Å; F13-P78 HydrophobicContact CD1-CG 3.68Å; F13-P78 VanDerWaalsContact CE1-CD 3.44Å; F13-P78 HydrophobicContact CE1-CG 3.69Å; F13-P78 HydrophobicContact CG-CB 4.46Å; F13-P78 HydrophobicContact CG-CG 4.14Å; F13-P78 HydrophobicContact CZ-CG 4.12Å; F15-P78 HydrophobicContact CE1-CB 3.81Å; F15-P78 HydrophobicContact CE1-CG 3.97Å; F15-P78 HydrophobicContact CZ-CB 3.43Å; F15-P78 VanDerWaalsContact CZ-CB 3.43Å; F15-P78 HydrophobicContact CZ-CG 3.89Å; H68-P78 CarbonylContact O-C 3.52Å; H68-P78 WeakPolarHBondContact O-CA 3.34Å; F69-P78 HydrophobicContact CD1-CB 4.03Å; F69-P78 HydrophobicContact CE1-CB 3.87Å |
| 79 | L | 85 | Confident | 80.6 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 59% | 0.586 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 109 | 166.7 | -178.3 | 66.3 | 0 | 0 | 0 | 108.9 | H68 | H68-L79 HydrophobicContact CB-CB 4.24Å; H68-L79 PolarHBondContact N-O 2.82Å; H68-L79 PolarHBondContact O-N 3.2Å |
| 80 | T | 83.6 | Confident | 79.9 | Confident | 59 Ų | 59 | 77.2 Ų | 77.2 | 36% | 0.362 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.5 | 175.6 | -56.8 | 0 | 0 | 0 | 0 | 110 | I66 H67 | I66-T80 CarbonylContact O-C 3.55Å; I66-T80 WeakPolarHBondContact O-CA 3.44Å; H67-T80 PolarHBondContact ND1-OG1 3.47Å |
| 81 | K | 82.3 | Confident | 79.5 | Confident | 86 Ų | 86 | 74.9 Ų | 74.9 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.6 | 174.1 | -172 | 178.1 | -176.9 | -177.3 | 0 | 109.6 | S65 I66 I83 E132 | S65-K81 WeakPolarHBondContact CA-O 3.44Å; I66-K81 PolarHBondContact N-O 3.45Å; I66-K81 PolarHBondContact O-N 3.49Å; K81-I83 HydrophobicContact CD-CG2 4.49Å; K81-I83 HydrophobicContact CG-CG2 4.33Å; K81-E132 IonicContact NZ-OE1 3.57Å; K81-E132 PolarHBondContact NZ-OE1 3.26Å |
| 82 | T | 79.8 | Confident | 79.5 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 133.1 | 169.8 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | F64 | F64-T82 CarbonylContact O-C 3.49Å; F64-T82 VanDerWaalsContact O-CA 3.3Å; F64-T82 WeakPolarHBondContact O-CA 3.35Å |
| 83 | I | 79.8 | Confident | 79.6 | Confident | 10 Ų | 10 | 71.8 Ų | 71.8 | 5% | 0.051 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 142.2 | 175.3 | 64.6 | 176.7 | 0 | 0 | 0 | 111 | L47 F64 I66 K81 F85 P135 | L47-I83 HydrophobicContact CD1-CD1 3.92Å; F64-I83 HydrophobicContact CB-CD1 4.13Å; F64-I83 HydrophobicContact CB-CG1 3.62Å; F64-I83 PolarHBondContact N-O 2.99Å; F64-I83 PolarHBondContact O-N 3.08Å; I66-I83 HydrophobicContact CD1-CD1 3.52Å; I66-I83 HydrophobicContact CD1-CG1 4.37Å; I66-I83 HydrophobicContact CD1-CG2 3.97Å; I66-I83 HydrophobicContact CG1-CD1 3.8Å; I66-I83 HydrophobicContact CG1-CG1 4.48Å; K81-I83 HydrophobicContact CD-CG2 4.49Å; K81-I83 HydrophobicContact CG-CG2 4.33Å; I83-F85 HydrophobicContact CD1-CD2 4.13Å; I83-F85 HydrophobicContact CD1-CE2 3.32Å; I83-F85 HydrophobicContact CD1-CZ 3.83Å; I83-F85 HydrophobicContact CG1-CD2 4.25Å; I83-F85 HydrophobicContact CG1-CE2 3.88Å; I83-P135 HydrophobicContact CB-CG 3.76Å; I83-P135 HydrophobicContact CD1-CG 3.97Å; I83-P135 HydrophobicContact CG1-CG 4.25Å; I83-P135 HydrophobicContact CG2-CG 4.25Å |
| 84 | D | 80.1 | Confident | 79.8 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | trans | -110.5 | 109.7 | 176.8 | -66.9 | -56 | 0 | 0 | 0 | 109.1 | S60 P135 | S60-D84 PolarHBondContact OG-OD1 3.41Å; D84-P135 WeakPolarHBondContact O-CB 3.48Å | ||
| 85 | F | 82.6 | Confident | 80.4 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 6% | 0.057 | 32% | 0.319 | C | S | . | . | trans | -73.8 | 129 | 175.6 | -77.2 | -102.4 | 0 | 0 | 0 | 110.7 | L47 F64 I83 L88 V110 I112 Y126 L134 P135 | L47-F85 HydrophobicContact CD2-CZ 4.4Å; F64-F85 HydrophobicContact CB-CD2 4.33Å; F64-F85 HydrophobicContact CB-CE2 4.03Å; F64-F85 HydrophobicContact CD1-CD2 4.11Å; F64-F85 AromaticContact CD1-CE2 3.83Å; F64-F85 HydrophobicContact CD1-CE2 3.83Å; F64-F85 AromaticContact CD2-CD2 3.26Å; F64-F85 HydrophobicContact CD2-CD2 3.26Å; F64-F85 AromaticContact CD2-CE2 3.76Å; F64-F85 HydrophobicContact CD2-CE2 3.76Å; F64-F85 HydrophobicContact CD2-CG 4.31Å; F64-F85 HydrophobicContact CE1-CD2 4.24Å; F64-F85 HydrophobicContact CE1-CE2 4.22Å; F64-F85 HydrophobicContact CE2-CB 4.1Å; F64-F85 AromaticContact CE2-CD2 3.43Å; F64-F85 HydrophobicContact CE2-CD2 3.43Å; F64-F85 VanDerWaalsContact CE2-CD2 3.43Å; F64-F85 HydrophobicContact CE2-CE2 4.16Å; F64-F85 HydrophobicContact CE2-CG 4.1Å; F64-F85 AromaticContact CG-CD2 3.64Å; F64-F85 HydrophobicContact CG-CD2 3.64Å; F64-F85 AromaticContact CG-CE2 3.59Å; F64-F85 HydrophobicContact CG-CE2 3.59Å; F64-F85 AromaticContact CZ-CD2 3.94Å; F64-F85 HydrophobicContact CZ-CD2 3.94Å; F64-F85 HydrophobicContact CZ-CE2 4.38Å; F64-F85 HydrophobicContact CZ-CG 4.5Å; I83-F85 HydrophobicContact CD1-CD2 4.13Å; I83-F85 HydrophobicContact CD1-CE2 3.32Å; I83-F85 HydrophobicContact CD1-CZ 3.83Å; I83-F85 HydrophobicContact CG1-CD2 4.25Å; I83-F85 HydrophobicContact CG1-CE2 3.88Å; F85-L88 HydrophobicContact CB-CD1 3.69Å; F85-L88 HydrophobicContact CB-CG 4.28Å; F85-V110 HydrophobicContact CE1-CB 4.28Å; F85-V110 HydrophobicContact CE1-CG1 4.07Å; F85-V110 HydrophobicContact CZ-CB 4.43Å; F85-V110 HydrophobicContact CZ-CG1 4.02Å; F85-I112 HydrophobicContact CB-CD1 4.34Å; F85-I112 HydrophobicContact CD1-CD1 3.79Å; F85-I112 HydrophobicContact CD2-CD1 4.13Å; F85-I112 HydrophobicContact CE1-CD1 4.03Å; F85-I112 HydrophobicContact CE2-CD1 4.29Å; F85-I112 HydrophobicContact CG-CD1 3.84Å; F85-I112 HydrophobicContact CZ-CD1 4.26Å; F85-Y126 HydrophobicContact CB-CE1 4.05Å; F85-Y126 HydrophobicContact CB-CE2 4.46Å; F85-Y126 AromaticContact CD1-CD1 3.61Å; F85-Y126 HydrophobicContact CD1-CD1 3.61Å; F85-Y126 AromaticContact CD1-CD2 3.58Å; F85-Y126 HydrophobicContact CD1-CD2 3.58Å; F85-Y126 AromaticContact CD1-CE1 3.67Å; F85-Y126 HydrophobicContact CD1-CE1 3.67Å; F85-Y126 AromaticContact CD1-CE2 3.65Å; F85-Y126 HydrophobicContact CD1-CE2 3.65Å; F85-Y126 AromaticContact CD1-CG 3.57Å; F85-Y126 HydrophobicContact CD1-CG 3.57Å; F85-Y126 AromaticContact CD1-CZ 3.69Å; F85-Y126 HydrophobicContact CE1-CD1 4.26Å; F85-Y126 AromaticContact CE1-CD2 3.83Å; F85-Y126 HydrophobicContact CE1-CD2 3.83Å; F85-Y126 HydrophobicContact CE1-CE2 4.3Å; F85-Y126 AromaticContact CE1-CG 3.82Å; F85-Y126 HydrophobicContact CE1-CG 3.82Å; F85-Y126 HydrophobicContact CG-CE1 4.36Å; F85-Y126 HydrophobicContact CG-CE2 4.39Å; F85-L134 HydrophobicContact CE1-CD2 4.42Å; F85-L134 HydrophobicContact CE1-CG 4.18Å; F85-L134 HydrophobicContact CZ-CD2 4.35Å; F85-P135 HydrophobicContact CB-CB 4.45Å; F85-P135 HydrophobicContact CD1-CB 4.19Å; F85-P135 HydrophobicContact CD2-CB 4.33Å; F85-P135 HydrophobicContact CG-CB 4.06Å | ||
| 86 | A | 82.7 | Confident | 81 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 154.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L88 Y126 P135 | A86-L88 PolarHBondContact O-N 3.44Å; A86-Y126 VanDerWaalsContact O-CE1 3.28Å; A86-Y126 WeakPolarHBondContact O-CE1 3.39Å; A86-Y126 PolarHBondContact O-OH 3.32Å; A86-P135 WeakPolarHBondContact CB-O 3.47Å; A86-P135 PolarHBondContact N-O 2.98Å |
| 87 | Y | 80.2 | Confident | 81.5 | Confident | 163 Ų | 163 | 52.3 Ų | 52.3 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 17.7 | 178 | -48.7 | -83.5 | 0 | 0 | 0 | 115.9 | N124 C138 | Y87-N124 PolarHBondContact O-ND2 3.13Å; Y87-C138 HydrophobicContact CD2-CB 3.27Å; Y87-C138 HydrophobicContact CE2-CB 3.65Å; Y87-C138 HydrophobicContact CG-CB 4.21Å |
| 88 | L | 79.3 | Confident | 82 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | trans | -94.6 | 120 | 162.5 | -67 | 177 | 0 | 0 | 0 | 109.7 | F64 F85 A86 I112 F114 | F64-L88 HydrophobicContact CE2-CD1 3.48Å; F64-L88 VanDerWaalsContact CE2-CD1 3.48Å; F64-L88 HydrophobicContact CZ-CD1 3.61Å; F85-L88 HydrophobicContact CB-CD1 3.69Å; F85-L88 HydrophobicContact CB-CG 4.28Å; A86-L88 PolarHBondContact O-N 3.44Å; L88-I112 HydrophobicContact CD1-CD1 4.36Å; L88-I112 HydrophobicContact CD2-CG2 4.41Å; L88-F114 HydrophobicContact CD2-CD1 3.53Å; L88-F114 HydrophobicContact CD2-CE1 3.44Å; L88-F114 VanDerWaalsContact CD2-CE1 3.44Å; L88-F114 HydrophobicContact CD2-CE2 4.46Å; L88-F114 HydrophobicContact CD2-CG 4.12Å; L88-F114 HydrophobicContact CD2-CZ 3.91Å | ||
| 89 | P | 76.2 | Confident | 82.3 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | trans | -60 | 147.1 | 175 | -23.4 | 34.7 | 0 | 0 | 0 | 112.7 | D91 S92 F114 | P89-D91 WeakPolarHBondContact CB-OD1 3.25Å; P89-D91 PolarHBondContact O-N 3.17Å; P89-D91 VanDerWaalsContact O-N 3.1Å; P89-S92 PolarHBondContact O-N 3.1Å; P89-S92 PolarHBondContact O-OG 3.17Å; P89-F114 HydrophobicContact CG-CE2 4.22Å | ||
| 90 | G | 71 | Confident | 82.6 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -0.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K61 Y62 | K61-G90 VanDerWaalsContact CD-O 3.25Å; K61-G90 WeakPolarHBondContact CD-O 3.33Å; Y62-G90 WeakPolarHBondContact CE2-O 3.31Å |
| 91 | D | 70.9 | Confident | 82.9 | Confident | 48 Ų | 48 | 41.2 Ų | 41.2 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 23.9 | -179.1 | 62.1 | -20.8 | 0 | 0 | 0 | 112.5 | P89 K116 E117 | P89-D91 WeakPolarHBondContact CB-OD1 3.25Å; P89-D91 PolarHBondContact O-N 3.17Å; P89-D91 VanDerWaalsContact O-N 3.1Å; D91-K116 VanDerWaalsContact CG-CE 3.46Å; D91-K116 VanDerWaalsContact OD1-CE 3.26Å; D91-K116 WeakPolarHBondContact OD1-CE 3.34Å; D91-K116 IonicContact OD1-NZ 3.43Å; D91-K116 WeakPolarHBondContact OD2-CE 3.38Å; D91-K116 IonicContact OD2-NZ 2.78Å; D91-E117 PolarHBondContact O-N 2.91Å |
| 92 | S | 77.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.1 | -179.2 | 63.7 | 0 | 0 | 0 | 0 | 114.7 | Y62 P89 V115 | Y62-S92 WeakPolarHBondContact CE1-O 3.28Å; Y62-S92 VanDerWaalsContact CE2-O 3.29Å; Y62-S92 WeakPolarHBondContact CE2-O 3.49Å; Y62-S92 PolarHBondContact OH-N 2.69Å; Y62-S92 PolarHBondContact OH-O 2.98Å; P89-S92 PolarHBondContact O-N 3.1Å; P89-S92 PolarHBondContact O-OG 3.17Å; S92-V115 CarbonylContact C-O 3.53Å; S92-V115 VanDerWaalsContact C-O 3.31Å; S92-V115 WeakPolarHBondContact CA-O 3.32Å; S92-V115 WeakPolarHBondContact CB-O 3.22Å |
| 93 | D | 79.6 | Confident | 83.3 | Confident | 86 Ų | 86 | 40.4 Ų | 40.4 | 46% | 0.46 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 127 | 173.3 | -62.4 | -38 | 0 | 0 | 0 | 111.6 | Y62 F114 V115 | Y62-D93 PolarHBondContact OH-OD1 3.09Å; D93-F114 CarbonylContact O-C 3.47Å; D93-F114 WeakPolarHBondContact O-CA 3.28Å; D93-F114 VanDerWaalsContact O-CB 3.22Å; D93-F114 WeakPolarHBondContact O-CB 3.29Å; D93-V115 HydrophobicContact CB-CG2 3.83Å; D93-V115 PolarHBondContact N-O 3.09Å; D93-V115 PolarHBondContact O-N 3.22Å |
| 94 | I | 83.8 | Confident | 83.5 | Confident | 25 Ų | 25 | 45.8 Ų | 45.8 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 125.4 | 175.7 | -59 | 165.9 | 0 | 0 | 0 | 108.7 | A49 F64 I112 | A49-I94 HydrophobicContact CB-CD1 3.96Å; A49-I94 HydrophobicContact CB-CG2 4.04Å; F64-I94 HydrophobicContact CE1-CD1 3.82Å; F64-I94 HydrophobicContact CE2-CD1 3.93Å; F64-I94 HydrophobicContact CZ-CD1 3.33Å; F64-I94 HydrophobicContact CZ-CG1 4.36Å; I94-I112 HydrophobicContact CG1-CG2 4.42Å; I94-I112 HydrophobicContact CG2-CG2 3.99Å |
| 95 | V | 86.1 | Confident | 83.7 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -36.1 | -176.6 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | N25 G113 V115 P148 | N25-V95 VanDerWaalsContact ND2-C 3.26Å; N25-V95 PolarHBondContact ND2-O 3.45Å; V95-G113 PolarHBondContact N-O 2.87Å; V95-V115 HydrophobicContact CG2-CG1 4Å; V95-V115 HydrophobicContact CG2-CG2 4.08Å; V95-P148 HydrophobicContact CB-CG 4.06Å; V95-P148 WeakPolarHBondContact CG1-O 3.48Å; V95-P148 HydrophobicContact CG2-CG 4.18Å |
| 96 | C | 89.3 | Confident | 83.9 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 149.3 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | N25 G113 L151 | N25-C96 WeakPolarHBondContact ND2-CA 3.13Å; C96-G113 PolarHBondContact N-O 2.95Å; C96-G113 PolarHBondContact O-N 2.81Å; C96-L151 HydrophobicContact CB-CB 3.89Å |
| 97 | I | 91.5 | Very high | 84.2 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 142.9 | 176.2 | -165 | 178 | 0 | 0 | 0 | 109.5 | N25 T27 L47 F64 V110 A111 I112 | N25-I97 HydrophobicContact CB-CB 4.46Å; N25-I97 HydrophobicContact CB-CG2 3.58Å; T27-I97 HydrophobicContact CG2-CD1 3.94Å; T27-I97 HydrophobicContact CG2-CG1 4.05Å; T27-I97 HydrophobicContact CG2-CG2 3.95Å; L47-I97 HydrophobicContact CD2-CD1 3.59Å; L47-I97 HydrophobicContact CG-CD1 3.98Å; F64-I97 HydrophobicContact CD1-CD1 4.03Å; F64-I97 HydrophobicContact CE1-CD1 3.87Å; I97-V110 HydrophobicContact CD1-CG1 4.02Å; I97-V110 HydrophobicContact CG1-CG1 4.03Å; I97-A111 WeakPolarHBondContact CA-O 3.38Å; I97-A111 WeakPolarHBondContact CG1-O 3.45Å; I97-I112 HydrophobicContact CG1-CG1 4.26Å |
| 98 | N | 93.5 | Very high | 84.7 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144.9 | 169.6 | -166.3 | -92.1 | 0 | 0 | 0 | 109.8 | V110 A111 L151 H153 F166 | N98-V110 WeakPolarHBondContact O-CA 3.28Å; N98-A111 PolarHBondContact N-O 2.9Å; N98-A111 PolarHBondContact O-N 2.8Å; N98-L151 HydrophobicContact CB-CB 4.3Å; N98-L151 HydrophobicContact CB-CD2 3.9Å; N98-L151 HydrophobicContact CB-CG 3.67Å; N98-L151 PolarHBondContact ND2-O 2.93Å; N98-H153 PolarHBondContact OD1-ND1 2.76Å; N98-F166 HydrophobicContact CB-CD1 4.39Å; N98-F166 HydrophobicContact CB-CE1 4.11Å |
| 99 | A | 93 | Very high | 85.4 | Confident | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 150.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T27 L29 F109 V110 | T27-A99 HydrophobicContact CG2-CB 3.6Å; T27-A99 WeakPolarHBondContact OG1-CB 3.24Å; T27-A99 PolarHBondContact OG1-N 3.45Å; T27-A99 VanDerWaalsContact OG1-N 3.08Å; L29-A99 HydrophobicContact CD1-CB 4.37Å; L29-A99 HydrophobicContact CD2-CB 3.44Å; L29-A99 VanDerWaalsContact CD2-CB 3.44Å; L29-A99 HydrophobicContact CG-CB 3.74Å; A99-F109 VanDerWaalsContact CA-O 3.28Å; A99-F109 WeakPolarHBondContact CA-O 3.3Å; A99-V110 HydrophobicContact CB-CG2 3.7Å |
| 100 | L | 91.5 | Very high | 86.2 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.6 | 173.3 | 65.9 | 95.5 | 0 | 0 | 0 | 110.2 | F109 H153 W164 F166 | L100-F109 HydrophobicContact CD1-CB 4.16Å; L100-F109 HydrophobicContact CD1-CD2 4Å; L100-F109 HydrophobicContact CD1-CG 4.4Å; L100-F109 HydrophobicContact CG-CB 4.08Å; L100-F109 PolarHBondContact N-O 2.82Å; L100-F109 PolarHBondContact O-N 2.85Å; L100-H153 HydrophobicContact CD2-CB 3.75Å; L100-W164 HydrophobicContact CD1-CD2 3.82Å; L100-W164 HydrophobicContact CD1-CE3 4.3Å; L100-W164 HydrophobicContact CD1-CG 4.25Å; L100-W164 HydrophobicContact CD1-CH2 4.3Å; L100-W164 HydrophobicContact CD1-CZ2 3.81Å; L100-W164 HydrophobicContact CD2-CD2 3.76Å; L100-W164 HydrophobicContact CD2-CE3 3.46Å; L100-W164 VanDerWaalsContact CD2-CE3 3.46Å; L100-W164 HydrophobicContact CD2-CG 4.42Å; L100-W164 HydrophobicContact CD2-CH2 4.19Å; L100-W164 HydrophobicContact CD2-CZ2 4.45Å; L100-W164 HydrophobicContact CD2-CZ3 3.71Å; L100-W164 HydrophobicContact CG-CD2 4.46Å; L100-W164 HydrophobicContact CG-CE3 4.5Å; L100-F166 HydrophobicContact CD2-CD1 4.44Å; L100-F166 HydrophobicContact CD2-CE1 3.69Å; L100-F166 HydrophobicContact CD2-CE2 4.31Å; L100-F166 HydrophobicContact CD2-CZ 3.6Å; L100-F166 HydrophobicContact CG-CZ 4.25Å |
| 101 | H | 90.1 | Very high | 87.2 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 15% | 0.153 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.6 | 171.3 | 174.3 | -112.7 | 0 | 0 | 0 | 108.4 | K30 K35 E103 D106 E107 Y108 | K30-H101 HydrophobicContact CB-CB 4.23Å; K35-H101 PolarHBondContact NZ-NE2 2.96Å; H101-E103 PolarHBondContact O-N 3.26Å; H101-D106 IonicContact CE1-OD1 3.84Å; H101-D106 PolarHBondContact CE1-OD1 2.95Å; H101-D106 IonicContact NE2-OD1 2.74Å; H101-D106 PolarHBondContact NE2-OD1 2.91Å; H101-E107 PolarHBondContact CD2-O 2.84Å; H101-Y108 HydrophobicContact CB-CD1 4.04Å; H101-Y108 HydrophobicContact CB-CE1 4.07Å; H101-Y108 AromaticContact CD2-CD1 3.75Å; H101-Y108 AromaticContact CD2-CE1 3.61Å; H101-Y108 AromaticContact CG-CE1 3.97Å |
| 102 | N | 88.1 | Confident | 88.2 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 109 | 173.9 | -175.4 | -11.2 | 0 | 0 | 0 | 108.9 | I104 T105 D106 E107 F109 | N102-I104 VanDerWaalsContact C-N 3.26Å; N102-I104 PolarHBondContact O-N 3.39Å; N102-I104 WeakPolarHBondContact OD1-CB 3.43Å; N102-I104 PolarHBondContact OD1-N 3.46Å; N102-T105 WeakPolarHBondContact CB-OG1 3.34Å; N102-T105 VanDerWaalsContact CG-OG1 3.32Å; N102-T105 PolarHBondContact ND2-OG1 2.82Å; N102-D106 WeakPolarHBondContact O-CA 3.19Å; N102-D106 PolarHBondContact O-N 2.83Å; N102-E107 PolarHBondContact N-O 3.33Å; N102-E107 PolarHBondContact O-N 3.1Å; N102-F109 HydrophobicContact CB-CD2 4.48Å; N102-F109 HydrophobicContact CB-CE2 4.09Å |
| 103 | E | 81.9 | Confident | 88.9 | Confident | 122 Ų | 122 | 31.8 Ų | 31.8 | 57% | 0.57 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.3 | -178.8 | -62.6 | -161.9 | 140.2 | 0 | 0 | 113.2 | K30 H101 | K30-E103 IonicContact NZ-OE1 3.24Å; K30-E103 PolarHBondContact NZ-OE1 2.94Å; K30-E103 VanDerWaalsContact NZ-OE1 3.15Å; H101-E103 PolarHBondContact O-N 3.26Å |
| 104 | I | 83.4 | Confident | 89.3 | Confident | 123 Ų | 123 | 27.7 Ų | 27.7 | 63% | 0.631 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -47.2 | -179.4 | -59.3 | 172.1 | 0 | 0 | 0 | 110.7 | N102 | N102-I104 VanDerWaalsContact C-N 3.26Å; N102-I104 PolarHBondContact O-N 3.39Å; N102-I104 WeakPolarHBondContact OD1-CB 3.43Å; N102-I104 PolarHBondContact OD1-N 3.46Å |
| 105 | T | 84.7 | Confident | 89.4 | Confident | 61 Ų | 61 | 27.9 Ų | 27.9 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -10.3 | -178.7 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | N102 E107 | N102-T105 WeakPolarHBondContact CB-OG1 3.34Å; N102-T105 VanDerWaalsContact CG-OG1 3.32Å; N102-T105 PolarHBondContact ND2-OG1 2.82Å; T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 2.89Å; T105-E107 PolarHBondContact OG1-OE2 3.12Å |
| 106 | D | 87.2 | Confident | 89.1 | Confident | 77 Ų | 77 | 29.8 Ų | 29.8 | 41% | 0.412 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 46.9 | -170.1 | -165 | 30.2 | 0 | 0 | 0 | 112.7 | K35 H101 N102 | K35-D106 IonicContact NZ-OD1 3.63Å; K35-D106 PolarHBondContact NZ-OD1 2.8Å; H101-D106 IonicContact CE1-OD1 3.84Å; H101-D106 PolarHBondContact CE1-OD1 2.95Å; H101-D106 IonicContact NE2-OD1 2.74Å; H101-D106 PolarHBondContact NE2-OD1 2.91Å; N102-D106 WeakPolarHBondContact O-CA 3.19Å; N102-D106 PolarHBondContact O-N 2.83Å |
| 107 | E | 90 | Very high | 88.3 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.6 | -178.8 | -71.6 | 176.3 | 154.4 | 0 | 0 | 111.2 | H101 N102 T105 F109 R127 K129 | H101-E107 PolarHBondContact CD2-O 2.84Å; N102-E107 PolarHBondContact N-O 3.33Å; N102-E107 PolarHBondContact O-N 3.1Å; T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 2.89Å; T105-E107 PolarHBondContact OG1-OE2 3.12Å; E107-F109 HydrophobicContact CB-CD2 4.43Å; E107-F109 HydrophobicContact CB-CE2 3.69Å; E107-F109 HydrophobicContact CB-CZ 4.25Å; E107-R127 HydrophobicContact CB-CG 4.43Å; E107-K129 HydrophobicContact CG-CG 3.73Å |
| 108 | Y | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 139 | 172.3 | -63.3 | -74.2 | 0 | 0 | 0 | 110.3 | L29 K30 D32 K35 H101 R127 S128 | L29-Y108 HydrophobicContact CD2-CD1 3.91Å; K30-Y108 WeakPolarHBondContact O-CE1 3.4Å; K30-Y108 VanDerWaalsContact O-CZ 3.29Å; K30-Y108 PolarHBondContact O-OH 2.99Å; D32-Y108 WeakPolarHBondContact CA-OH 3.4Å; D32-Y108 HydrophobicContact CB-CE2 4.49Å; D32-Y108 PolarHBondContact N-OH 2.63Å; K35-Y108 WeakPolarHBondContact CE-OH 3.43Å; K35-Y108 VanDerWaalsContact NZ-CZ 3.25Å; K35-Y108 PolarHBondContact NZ-OH 2.88Å; H101-Y108 HydrophobicContact CB-CD1 4.04Å; H101-Y108 HydrophobicContact CB-CE1 4.07Å; H101-Y108 AromaticContact CD2-CD1 3.75Å; H101-Y108 AromaticContact CD2-CE1 3.61Å; H101-Y108 AromaticContact CG-CE1 3.97Å; Y108-R127 VanDerWaalsContact O-CA 3.27Å; Y108-R127 WeakPolarHBondContact O-CA 3.41Å; Y108-S128 WeakPolarHBondContact CB-O 3.25Å; Y108-S128 PolarHBondContact N-O 2.99Å; Y108-S128 PolarHBondContact O-N 3.09Å |
| 109 | F | 93.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 133.6 | 173.3 | -65.2 | -98.8 | 0 | 0 | 0 | 109.3 | A99 L100 N102 E107 Y126 R127 L139 W164 F166 Y227 | A99-F109 VanDerWaalsContact CA-O 3.28Å; A99-F109 WeakPolarHBondContact CA-O 3.3Å; L100-F109 HydrophobicContact CD1-CB 4.16Å; L100-F109 HydrophobicContact CD1-CD2 4Å; L100-F109 HydrophobicContact CD1-CG 4.4Å; L100-F109 HydrophobicContact CG-CB 4.08Å; L100-F109 PolarHBondContact N-O 2.82Å; L100-F109 PolarHBondContact O-N 2.85Å; N102-F109 HydrophobicContact CB-CD2 4.48Å; N102-F109 HydrophobicContact CB-CE2 4.09Å; E107-F109 HydrophobicContact CB-CD2 4.43Å; E107-F109 HydrophobicContact CB-CE2 3.69Å; E107-F109 HydrophobicContact CB-CZ 4.25Å; F109-Y126 VanDerWaalsContact CA-O 3.31Å; F109-Y126 WeakPolarHBondContact CA-O 3.48Å; F109-R127 HydrophobicContact CD1-CB 3.89Å; F109-R127 HydrophobicContact CD1-CG 3.98Å; F109-R127 HydrophobicContact CE1-CB 3.77Å; F109-R127 HydrophobicContact CE1-CG 3.47Å; F109-R127 VanDerWaalsContact CE1-CG 3.47Å; F109-R127 HydrophobicContact CE2-CG 4.27Å; F109-R127 HydrophobicContact CZ-CB 4.42Å; F109-R127 HydrophobicContact CZ-CG 3.63Å; F109-L139 HydrophobicContact CE1-CD2 4.18Å; F109-W164 HydrophobicContact CB-CH2 3.93Å; F109-W164 HydrophobicContact CB-CZ2 4.2Å; F109-W164 AromaticContact CD1-CH2 3.46Å; F109-W164 HydrophobicContact CD1-CH2 3.46Å; F109-W164 VanDerWaalsContact CD1-CH2 3.46Å; F109-W164 AromaticContact CD1-CZ2 3.6Å; F109-W164 HydrophobicContact CD1-CZ2 3.6Å; F109-W164 HydrophobicContact CD2-CH2 4.09Å; F109-W164 AromaticContact CD2-CZ2 3.51Å; F109-W164 HydrophobicContact CD2-CZ2 3.51Å; F109-W164 AromaticContact CE1-CH2 3.89Å; F109-W164 HydrophobicContact CE1-CH2 3.89Å; F109-W164 AromaticContact CE1-CZ2 3.69Å; F109-W164 HydrophobicContact CE1-CZ2 3.69Å; F109-W164 HydrophobicContact CE2-CH2 4.49Å; F109-W164 AromaticContact CE2-CZ2 3.65Å; F109-W164 HydrophobicContact CE2-CZ2 3.65Å; F109-W164 AromaticContact CG-CH2 3.56Å; F109-W164 HydrophobicContact CG-CH2 3.56Å; F109-W164 AromaticContact CG-CZ2 3.49Å; F109-W164 HydrophobicContact CG-CZ2 3.49Å; F109-W164 VanDerWaalsContact CG-CZ2 3.49Å; F109-W164 HydrophobicContact CZ-CH2 4.4Å; F109-W164 AromaticContact CZ-CZ2 3.73Å; F109-W164 HydrophobicContact CZ-CZ2 3.73Å; F109-F166 HydrophobicContact CB-CE2 4.27Å; F109-F166 HydrophobicContact CB-CZ 4.15Å; F109-Y227 HydrophobicContact CE1-CE1 4.1Å; F109-Y227 HydrophobicContact CE1-CE2 4.02Å; F109-Y227 AromaticContact CE1-CZ 3.71Å; F109-Y227 HydrophobicContact CZ-CE2 4.39Å |
| 110 | V | 92.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.9 | 172.5 | 169.3 | 0 | 0 | 0 | 0 | 107.7 | L29 L47 F85 I97 N98 A99 I112 I125 Y126 L134 | L29-V110 HydrophobicContact CD1-CG2 4.09Å; L47-V110 HydrophobicContact CD2-CG1 4.18Å; L47-V110 HydrophobicContact CD2-CG2 3.99Å; F85-V110 HydrophobicContact CE1-CB 4.28Å; F85-V110 HydrophobicContact CE1-CG1 4.07Å; F85-V110 HydrophobicContact CZ-CB 4.43Å; F85-V110 HydrophobicContact CZ-CG1 4.02Å; I97-V110 HydrophobicContact CD1-CG1 4.02Å; I97-V110 HydrophobicContact CG1-CG1 4.03Å; N98-V110 WeakPolarHBondContact O-CA 3.28Å; A99-V110 HydrophobicContact CB-CG2 3.7Å; V110-I112 HydrophobicContact CG1-CD1 4.06Å; V110-I112 HydrophobicContact CG1-CG1 3.76Å; V110-I125 CarbonylContact O-C 3.56Å; V110-I125 WeakPolarHBondContact O-CA 3.28Å; V110-Y126 PolarHBondContact N-O 3Å; V110-Y126 VanDerWaalsContact N-O 3.12Å; V110-Y126 WeakPolarHBondContact O-CD2 3.21Å; V110-Y126 PolarHBondContact O-N 2.88Å; V110-L134 HydrophobicContact CB-CD2 4.06Å; V110-L134 HydrophobicContact CG2-CD2 3.39Å; V110-L134 HydrophobicContact CG2-CG 4.35Å |
| 111 | A | 92.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I97 N98 L123 N124 I125 L151 F166 | I97-A111 WeakPolarHBondContact CA-O 3.38Å; I97-A111 WeakPolarHBondContact CG1-O 3.45Å; N98-A111 PolarHBondContact N-O 2.9Å; N98-A111 PolarHBondContact O-N 2.8Å; A111-L123 HydrophobicContact CB-CD1 4.3Å; A111-N124 CarbonylContact C-O 3.52Å; A111-N124 VanDerWaalsContact CA-O 3.28Å; A111-N124 WeakPolarHBondContact CA-O 3.35Å; A111-I125 HydrophobicContact CB-CG1 4.08Å; A111-L151 HydrophobicContact CB-CD1 4.44Å; A111-L151 HydrophobicContact CB-CD2 3.67Å; A111-L151 WeakPolarHBondContact O-CD2 3.37Å; A111-F166 HydrophobicContact CB-CD1 3.92Å; A111-F166 HydrophobicContact CB-CD2 3.76Å; A111-F166 HydrophobicContact CB-CE1 3.8Å; A111-F166 HydrophobicContact CB-CE2 3.63Å; A111-F166 HydrophobicContact CB-CG 3.92Å; A111-F166 HydrophobicContact CB-CZ 3.66Å |
| 112 | I | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 112.3 | -171.1 | -47.8 | -174.8 | 0 | 0 | 0 | 108.3 | F64 F85 L88 I94 I97 V110 F114 L123 N124 Y126 | F64-I112 HydrophobicContact CE1-CD1 3.69Å; F64-I112 HydrophobicContact CE1-CG2 4.4Å; F64-I112 HydrophobicContact CE2-CD1 4.37Å; F64-I112 HydrophobicContact CZ-CD1 3.51Å; F64-I112 HydrophobicContact CZ-CG2 4.15Å; F85-I112 HydrophobicContact CB-CD1 4.34Å; F85-I112 HydrophobicContact CD1-CD1 3.79Å; F85-I112 HydrophobicContact CD2-CD1 4.13Å; F85-I112 HydrophobicContact CE1-CD1 4.03Å; F85-I112 HydrophobicContact CE2-CD1 4.29Å; F85-I112 HydrophobicContact CG-CD1 3.84Å; F85-I112 HydrophobicContact CZ-CD1 4.26Å; L88-I112 HydrophobicContact CD1-CD1 4.36Å; L88-I112 HydrophobicContact CD2-CG2 4.41Å; I94-I112 HydrophobicContact CG1-CG2 4.42Å; I94-I112 HydrophobicContact CG2-CG2 3.99Å; I97-I112 HydrophobicContact CG1-CG1 4.26Å; V110-I112 HydrophobicContact CG1-CD1 4.06Å; V110-I112 HydrophobicContact CG1-CG1 3.76Å; I112-F114 HydrophobicContact CG2-CD1 4.49Å; I112-L123 WeakPolarHBondContact O-CA 3.39Å; I112-N124 PolarHBondContact N-O 3.05Å; I112-N124 PolarHBondContact O-N 2.89Å; I112-Y126 HydrophobicContact CB-CE2 4.34Å; I112-Y126 HydrophobicContact CD1-CD2 3.97Å; I112-Y126 HydrophobicContact CD1-CE2 3.44Å; I112-Y126 VanDerWaalsContact CD1-CE2 3.44Å; I112-Y126 HydrophobicContact CG1-CD2 4.15Å; I112-Y126 HydrophobicContact CG1-CE2 3.77Å |
| 113 | G | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V95 C96 Y122 | V95-G113 PolarHBondContact N-O 2.87Å; C96-G113 PolarHBondContact N-O 2.95Å; C96-G113 PolarHBondContact O-N 2.81Å; G113-Y122 WeakPolarHBondContact CA-O 3.33Å |
| 114 | F | 87.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 160.6 | -178.9 | 61.4 | -85.3 | 0 | 0 | 0 | 112.3 | L88 P89 D93 I112 G121 Y122 N124 Y141 | L88-F114 HydrophobicContact CD2-CD1 3.53Å; L88-F114 HydrophobicContact CD2-CE1 3.44Å; L88-F114 VanDerWaalsContact CD2-CE1 3.44Å; L88-F114 HydrophobicContact CD2-CE2 4.46Å; L88-F114 HydrophobicContact CD2-CG 4.12Å; L88-F114 HydrophobicContact CD2-CZ 3.91Å; P89-F114 HydrophobicContact CG-CE2 4.22Å; D93-F114 CarbonylContact O-C 3.47Å; D93-F114 WeakPolarHBondContact O-CA 3.28Å; D93-F114 VanDerWaalsContact O-CB 3.22Å; D93-F114 WeakPolarHBondContact O-CB 3.29Å; I112-F114 HydrophobicContact CG2-CD1 4.49Å; F114-G121 CarbonylContact O-C 3.48Å; F114-G121 WeakPolarHBondContact O-CA 3.49Å; F114-Y122 HydrophobicContact CD2-CD2 4.11Å; F114-Y122 HydrophobicContact CD2-CG 4.45Å; F114-Y122 AromaticContact CE2-CD2 3.74Å; F114-Y122 HydrophobicContact CE2-CD2 3.74Å; F114-Y122 AromaticContact CE2-CG 3.84Å; F114-Y122 HydrophobicContact CE2-CG 3.84Å; F114-Y122 VanDerWaalsContact CZ-CB 3.4Å; F114-Y122 HydrophobicContact CZ-CD2 4.41Å; F114-Y122 HydrophobicContact CZ-CG 4.03Å; F114-Y122 PolarHBondContact N-O 3.46Å; F114-Y122 PolarHBondContact O-N 2.87Å; F114-N124 HydrophobicContact CE1-CB 4.16Å; F114-N124 WeakPolarHBondContact CE1-OD1 3.32Å; F114-Y141 HydrophobicContact CZ-CE2 4.41Å |
| 115 | V | 86.2 | Confident | 85.9 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 147.5 | 173 | -66.6 | 0 | 0 | 0 | 0 | 109.8 | S92 D93 V95 K120 A147 | S92-V115 CarbonylContact C-O 3.53Å; S92-V115 VanDerWaalsContact C-O 3.31Å; S92-V115 WeakPolarHBondContact CA-O 3.32Å; S92-V115 WeakPolarHBondContact CB-O 3.22Å; D93-V115 HydrophobicContact CB-CG2 3.83Å; D93-V115 PolarHBondContact N-O 3.09Å; D93-V115 PolarHBondContact O-N 3.22Å; V95-V115 HydrophobicContact CG2-CG1 4Å; V95-V115 HydrophobicContact CG2-CG2 4.08Å; V115-K120 WeakPolarHBondContact CA-O 3.37Å; V115-A147 HydrophobicContact CG1-CB 3.7Å |
| 116 | K | 80.5 | Confident | 86.3 | Confident | 81 Ų | 81 | 34.9 Ų | 34.9 | 35% | 0.352 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 151.6 | 172.4 | -174.3 | 177.5 | 178.3 | 172.7 | 0 | 109.9 | D91 G118 E119 K120 Y122 | D91-K116 VanDerWaalsContact CG-CE 3.46Å; D91-K116 VanDerWaalsContact OD1-CE 3.26Å; D91-K116 WeakPolarHBondContact OD1-CE 3.34Å; D91-K116 IonicContact OD1-NZ 3.43Å; D91-K116 WeakPolarHBondContact OD2-CE 3.38Å; D91-K116 IonicContact OD2-NZ 2.78Å; K116-G118 PolarHBondContact O-N 3.45Å; K116-E119 PolarHBondContact O-N 3.1Å; K116-K120 PolarHBondContact N-O 3.29Å; K116-K120 VanDerWaalsContact N-O 3.11Å; K116-Y122 HydrophobicContact CB-CE2 3.93Å |
| 117 | E | 71.5 | Confident | 86.5 | Confident | 164 Ų | 164 | 35.2 Ų | 35.2 | 77% | 0.766 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -45.8 | 115.6 | 167.1 | -160.2 | 173.8 | -173.2 | 0 | 0 | 110 | D91 | D91-E117 PolarHBondContact O-N 2.91Š|
| 118 | G | 63 | Low | 86.5 | Confident | 62 Ų | 62 | 34 Ų | 34 | 64% | 0.639 | 17% | 0.171 | S | C | * | . | S | Bend | trans | 103.3 | 34.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | K116 K120 | K116-G118 PolarHBondContact O-N 3.45Å; G118-K120 VanDerWaalsContact C-N 3.28Å; G118-K120 PolarHBondContact O-N 2.9Å |
| 119 | E | 64.4 | Low | 86.4 | Confident | 161 Ų | 161 | 40.7 Ų | 40.7 | 75% | 0.752 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 67.2 | -11.1 | 163.9 | -62.7 | -177.4 | 170.7 | 0 | 0 | 119 | K116 G121 | K116-E119 PolarHBondContact O-N 3.1Å; E119-G121 PolarHBondContact O-N 3.2Å |
| 120 | K | 79 | Confident | 86 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 44% | 0.435 | 21% | 0.208 | S | C | . | . | trans | -75.7 | 128.1 | -179 | -72.3 | 164.9 | -179 | 165.5 | 0 | 111.6 | V115 K116 G118 Y122 | V115-K120 WeakPolarHBondContact CA-O 3.37Å; K116-K120 PolarHBondContact N-O 3.29Å; K116-K120 VanDerWaalsContact N-O 3.11Å; G118-K120 VanDerWaalsContact C-N 3.28Å; G118-K120 PolarHBondContact O-N 2.9Å; K120-Y122 HydrophobicContact CB-CE2 3.63Å; K120-Y122 WeakPolarHBondContact CB-OH 3.24Å; K120-Y122 WeakPolarHBondContact O-CD2 3.39Å; K120-Y122 WeakPolarHBondContact O-CE2 3.32Å | ||
| 121 | G | 89 | Confident | 85.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 152.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F114 E119 L144 C146 | F114-G121 CarbonylContact O-C 3.48Å; F114-G121 WeakPolarHBondContact O-CA 3.49Å; E119-G121 PolarHBondContact O-N 3.2Å; G121-L144 WeakPolarHBondContact O-CB 3.41Å; G121-L144 PolarHBondContact O-N 3.33Å; G121-C146 WeakPolarHBondContact CA-O 3.35Å |
| 122 | Y | 90.8 | Very high | 84.8 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 9% | 0.09 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.2 | 179.4 | -59.1 | -86.6 | 0 | 0 | 0 | 111 | G113 F114 K116 K120 Y141 S142 K143 | G113-Y122 WeakPolarHBondContact CA-O 3.33Å; F114-Y122 HydrophobicContact CD2-CD2 4.11Å; F114-Y122 HydrophobicContact CD2-CG 4.45Å; F114-Y122 AromaticContact CE2-CD2 3.74Å; F114-Y122 HydrophobicContact CE2-CD2 3.74Å; F114-Y122 AromaticContact CE2-CG 3.84Å; F114-Y122 HydrophobicContact CE2-CG 3.84Å; F114-Y122 VanDerWaalsContact CZ-CB 3.4Å; F114-Y122 HydrophobicContact CZ-CD2 4.41Å; F114-Y122 HydrophobicContact CZ-CG 4.03Å; F114-Y122 PolarHBondContact N-O 3.46Å; F114-Y122 PolarHBondContact O-N 2.87Å; K116-Y122 HydrophobicContact CB-CE2 3.93Å; K120-Y122 HydrophobicContact CB-CE2 3.63Å; K120-Y122 WeakPolarHBondContact CB-OH 3.24Å; K120-Y122 WeakPolarHBondContact O-CD2 3.39Å; K120-Y122 WeakPolarHBondContact O-CE2 3.32Å; Y122-Y141 HydrophobicContact CD1-CE1 4.16Å; Y122-Y141 HydrophobicContact CD1-CE2 4.04Å; Y122-Y141 AromaticContact CD1-CZ 3.51Å; Y122-Y141 WeakPolarHBondContact CD1-OH 3.42Å; Y122-Y141 HydrophobicContact CE1-CE1 4.35Å; Y122-Y141 AromaticContact CE1-CZ 3.78Å; Y122-Y141 WeakPolarHBondContact CE1-OH 3.32Å; Y122-S142 CarbonylContact C-O 3.44Å; Y122-S142 VanDerWaalsContact CA-O 3.3Å; Y122-S142 WeakPolarHBondContact CA-O 3.43Å; Y122-K143 HydrophobicContact CD1-CB 4.18Å; Y122-K143 HydrophobicContact CD1-CG 4.24Å; Y122-K143 HydrophobicContact CE1-CB 4.1Å; Y122-K143 HydrophobicContact CE1-CD 4.31Å; Y122-K143 HydrophobicContact CE1-CG 3.81Å |
| 123 | L | 92.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.4 | 169 | -176.4 | 76.4 | 0 | 0 | 0 | 109.2 | A111 I112 I125 S142 L151 L168 F192 | A111-L123 HydrophobicContact CB-CD1 4.3Å; I112-L123 WeakPolarHBondContact O-CA 3.39Å; L123-I125 HydrophobicContact CD2-CD1 4.27Å; L123-I125 HydrophobicContact CD2-CG1 4.24Å; L123-I125 HydrophobicContact CG-CG1 4.41Å; L123-S142 PolarHBondContact N-O 2.83Å; L123-S142 PolarHBondContact O-N 3Å; L123-L151 HydrophobicContact CD1-CD1 4.1Å; L123-L151 HydrophobicContact CD1-CD2 4Å; L123-L168 HydrophobicContact CB-CD2 4.15Å; L123-L168 HydrophobicContact CD1-CD2 4.22Å; L123-L168 HydrophobicContact CD2-CD2 4.2Å; L123-L168 HydrophobicContact CG-CD2 4.43Å; L123-F192 HydrophobicContact CD2-CB 4.5Å; L123-F192 HydrophobicContact CD2-CD1 3.83Å; L123-F192 HydrophobicContact CD2-CD2 3.4Å; L123-F192 HydrophobicContact CD2-CE1 3.82Å; L123-F192 HydrophobicContact CD2-CE2 3.38Å; L123-F192 HydrophobicContact CD2-CG 3.64Å; L123-F192 HydrophobicContact CD2-CZ 3.6Å |
| 124 | N | 91.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.5 | 167.8 | -71.6 | 7.9 | 0 | 0 | 0 | 109.7 | Y87 A111 I112 F114 Y126 S140 Y141 | Y87-N124 PolarHBondContact O-ND2 3.13Å; A111-N124 CarbonylContact C-O 3.52Å; A111-N124 VanDerWaalsContact CA-O 3.28Å; A111-N124 WeakPolarHBondContact CA-O 3.35Å; I112-N124 PolarHBondContact N-O 3.05Å; I112-N124 PolarHBondContact O-N 2.89Å; F114-N124 HydrophobicContact CE1-CB 4.16Å; F114-N124 WeakPolarHBondContact CE1-OD1 3.32Å; N124-Y126 HydrophobicContact CB-CD2 4.41Å; N124-Y126 HydrophobicContact CB-CE2 3.48Å; N124-Y126 VanDerWaalsContact CB-CE2 3.48Å; N124-Y126 WeakPolarHBondContact CB-OH 3.32Å; N124-Y126 PolarHBondContact ND2-OH 3.37Å; N124-S140 WeakPolarHBondContact CA-O 3.37Å; N124-Y141 WeakPolarHBondContact OD1-CD2 3.44Å |
| 125 | I | 93.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.8 | 172.5 | -56 | 175.2 | 0 | 0 | 0 | 107.9 | V110 A111 L123 L139 S140 F166 F192 | V110-I125 CarbonylContact O-C 3.56Å; V110-I125 WeakPolarHBondContact O-CA 3.28Å; A111-I125 HydrophobicContact CB-CG1 4.08Å; L123-I125 HydrophobicContact CD2-CD1 4.27Å; L123-I125 HydrophobicContact CD2-CG1 4.24Å; L123-I125 HydrophobicContact CG-CG1 4.41Å; I125-L139 WeakPolarHBondContact O-CA 3.34Å; I125-L139 WeakPolarHBondContact O-CB 3.34Å; I125-L139 PolarHBondContact O-N 2.73Å; I125-S140 PolarHBondContact N-O 3.48Å; I125-S140 PolarHBondContact O-N 3.37Å; I125-F166 HydrophobicContact CD1-CD2 4.14Å; I125-F166 HydrophobicContact CG1-CD2 4.48Å; I125-F166 HydrophobicContact CG2-CD2 4.48Å; I125-F166 HydrophobicContact CG2-CE2 4.05Å; I125-F192 HydrophobicContact CD1-CB 3.66Å; I125-F192 HydrophobicContact CD1-CD1 4.29Å; I125-F192 HydrophobicContact CD1-CG 4.17Å |
| 126 | Y | 92.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 148.6 | 179.4 | -56.1 | -94.8 | 0 | 0 | 0 | 109.8 | F85 A86 F109 V110 I112 N124 N137 C138 | F85-Y126 HydrophobicContact CB-CE1 4.05Å; F85-Y126 HydrophobicContact CB-CE2 4.46Å; F85-Y126 AromaticContact CD1-CD1 3.61Å; F85-Y126 HydrophobicContact CD1-CD1 3.61Å; F85-Y126 AromaticContact CD1-CD2 3.58Å; F85-Y126 HydrophobicContact CD1-CD2 3.58Å; F85-Y126 AromaticContact CD1-CE1 3.67Å; F85-Y126 HydrophobicContact CD1-CE1 3.67Å; F85-Y126 AromaticContact CD1-CE2 3.65Å; F85-Y126 HydrophobicContact CD1-CE2 3.65Å; F85-Y126 AromaticContact CD1-CG 3.57Å; F85-Y126 HydrophobicContact CD1-CG 3.57Å; F85-Y126 AromaticContact CD1-CZ 3.69Å; F85-Y126 HydrophobicContact CE1-CD1 4.26Å; F85-Y126 AromaticContact CE1-CD2 3.83Å; F85-Y126 HydrophobicContact CE1-CD2 3.83Å; F85-Y126 HydrophobicContact CE1-CE2 4.3Å; F85-Y126 AromaticContact CE1-CG 3.82Å; F85-Y126 HydrophobicContact CE1-CG 3.82Å; F85-Y126 HydrophobicContact CG-CE1 4.36Å; F85-Y126 HydrophobicContact CG-CE2 4.39Å; A86-Y126 VanDerWaalsContact O-CE1 3.28Å; A86-Y126 WeakPolarHBondContact O-CE1 3.39Å; A86-Y126 PolarHBondContact O-OH 3.32Å; F109-Y126 VanDerWaalsContact CA-O 3.31Å; F109-Y126 WeakPolarHBondContact CA-O 3.48Å; V110-Y126 PolarHBondContact N-O 3Å; V110-Y126 VanDerWaalsContact N-O 3.12Å; V110-Y126 WeakPolarHBondContact O-CD2 3.21Å; V110-Y126 PolarHBondContact O-N 2.88Å; I112-Y126 HydrophobicContact CB-CE2 4.34Å; I112-Y126 HydrophobicContact CD1-CD2 3.97Å; I112-Y126 HydrophobicContact CD1-CE2 3.44Å; I112-Y126 VanDerWaalsContact CD1-CE2 3.44Å; I112-Y126 HydrophobicContact CG1-CD2 4.15Å; I112-Y126 HydrophobicContact CG1-CE2 3.77Å; N124-Y126 HydrophobicContact CB-CD2 4.41Å; N124-Y126 HydrophobicContact CB-CE2 3.48Å; N124-Y126 VanDerWaalsContact CB-CE2 3.48Å; N124-Y126 WeakPolarHBondContact CB-OH 3.32Å; N124-Y126 PolarHBondContact ND2-OH 3.37Å; Y126-N137 VanDerWaalsContact CA-O 3.3Å; Y126-N137 WeakPolarHBondContact CA-O 3.17Å; Y126-C138 HydrophobicContact CD1-CB 3.85Å; Y126-C138 HydrophobicContact CE1-CB 3.7Å |
| 127 | R | 91.2 | Very high | 84.3 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 130.6 | 179 | 177 | -167.3 | 65.9 | 177.8 | -1.6 | 111.7 | E107 Y108 F109 N137 L139 | E107-R127 HydrophobicContact CB-CG 4.43Å; Y108-R127 VanDerWaalsContact O-CA 3.27Å; Y108-R127 WeakPolarHBondContact O-CA 3.41Å; F109-R127 HydrophobicContact CD1-CB 3.89Å; F109-R127 HydrophobicContact CD1-CG 3.98Å; F109-R127 HydrophobicContact CE1-CB 3.77Å; F109-R127 HydrophobicContact CE1-CG 3.47Å; F109-R127 VanDerWaalsContact CE1-CG 3.47Å; F109-R127 HydrophobicContact CE2-CG 4.27Å; F109-R127 HydrophobicContact CZ-CB 4.42Å; F109-R127 HydrophobicContact CZ-CG 3.63Å; R127-N137 PolarHBondContact N-O 2.75Å; R127-N137 WeakPolarHBondContact O-CB 3.17Å; R127-L139 HydrophobicContact CB-CB 4.35Å; R127-L139 HydrophobicContact CB-CD2 3.89Å |
| 128 | S | 90.6 | Very high | 85 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 153.2 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | Y108 S130 K133 | Y108-S128 WeakPolarHBondContact CB-O 3.25Å; Y108-S128 PolarHBondContact N-O 2.99Å; Y108-S128 PolarHBondContact O-N 3.09Å; S128-S130 VanDerWaalsContact C-N 3.29Å; S128-S130 VanDerWaalsContact CB-O 3.24Å; S128-S130 WeakPolarHBondContact CB-O 3.44Å; S128-S130 PolarHBondContact OG-N 2.91Å; S128-S130 PolarHBondContact OG-O 3.46Å; S128-K133 WeakPolarHBondContact OG-CB 3.1Å |
| 129 | K | 87.5 | Confident | 86 | Confident | 141 Ų | 141 | 50.7 Ų | 50.7 | 61% | 0.613 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -74.9 | -20.3 | 168.7 | -70.4 | -174.5 | 174 | -170.2 | 0 | 113.2 | E107 | E107-K129 HydrophobicContact CG-CG 3.73Š|
| 130 | S | 85.3 | Confident | 86.9 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -122.4 | 135.2 | 177.3 | 174.6 | 0 | 0 | 0 | 0 | 109.7 | S128 E132 K133 L134 | S128-S130 VanDerWaalsContact C-N 3.29Å; S128-S130 VanDerWaalsContact CB-O 3.24Å; S128-S130 WeakPolarHBondContact CB-O 3.44Å; S128-S130 PolarHBondContact OG-N 2.91Å; S128-S130 PolarHBondContact OG-O 3.46Å; S130-E132 PolarHBondContact O-N 2.84Å; S130-E132 PolarHBondContact OG-N 3.32Å; S130-K133 PolarHBondContact O-N 2.84Å; S130-L134 PolarHBondContact O-N 2.88Å |
| 131 | E | 80.8 | Confident | 87.1 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -56.5 | -36.6 | 176 | -173.6 | 174 | -174.7 | 0 | 0 | 112.2 | D32 I66 K133 L134 | D32-E131 HydrophobicContact CB-CB 4.19Å; I66-E131 HydrophobicContact CD1-CG 3.69Å; I66-E131 VanDerWaalsContact CD1-OE1 3.29Å; I66-E131 WeakPolarHBondContact CD1-OE1 3.47Å; I66-E131 WeakPolarHBondContact CG2-OE1 3.26Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.42Å; E131-L134 WeakPolarHBondContact O-CB 3.43Å; E131-L134 PolarHBondContact O-N 3.03Å |
| 132 | E | 80.3 | Confident | 87.1 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -66.3 | -32.1 | -179.4 | -56.3 | -166 | 118.7 | 0 | 0 | 113.6 | K81 S130 P135 | K81-E132 IonicContact NZ-OE1 3.57Å; K81-E132 PolarHBondContact NZ-OE1 3.26Å; S130-E132 PolarHBondContact O-N 2.84Å; S130-E132 PolarHBondContact OG-N 3.32Å; E132-P135 WeakPolarHBondContact O-CD 3.09Å |
| 133 | K | 86.1 | Confident | 87 | Confident | 122 Ų | 122 | 49.9 Ų | 49.9 | 53% | 0.53 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -93.5 | -4.1 | 179.9 | -64.9 | -174.7 | 179.2 | -175.9 | 0 | 112.9 | S128 S130 E131 P135 E136 N137 | S128-K133 WeakPolarHBondContact OG-CB 3.1Å; S130-K133 PolarHBondContact O-N 2.84Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.42Å; K133-P135 VanDerWaalsContact C-N 3.34Å; K133-E136 PolarHBondContact O-N 2.81Å; K133-N137 PolarHBondContact O-ND2 3.39Å |
| 134 | L | 85.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -54.7 | -42.3 | 178 | -168.1 | 66.4 | 0 | 0 | 0 | 113.4 | L29 F85 V110 S130 E131 E136 N137 | L29-L134 HydrophobicContact CD1-CD2 4.19Å; F85-L134 HydrophobicContact CE1-CD2 4.42Å; F85-L134 HydrophobicContact CE1-CG 4.18Å; F85-L134 HydrophobicContact CZ-CD2 4.35Å; V110-L134 HydrophobicContact CB-CD2 4.06Å; V110-L134 HydrophobicContact CG2-CD2 3.39Å; V110-L134 HydrophobicContact CG2-CG 4.35Å; S130-L134 PolarHBondContact O-N 2.88Å; E131-L134 WeakPolarHBondContact O-CB 3.43Å; E131-L134 PolarHBondContact O-N 3.03Å; L134-E136 PolarHBondContact O-N 2.83Å; L134-N137 PolarHBondContact O-N 2.92Å |
| 135 | P | 84.2 | Confident | 86.7 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -63.9 | -26.9 | -177.3 | -18.7 | 31.7 | 0 | 0 | 0 | 113.8 | I83 D84 F85 A86 E132 K133 | I83-P135 HydrophobicContact CB-CG 3.76Å; I83-P135 HydrophobicContact CD1-CG 3.97Å; I83-P135 HydrophobicContact CG1-CG 4.25Å; I83-P135 HydrophobicContact CG2-CG 4.25Å; D84-P135 WeakPolarHBondContact O-CB 3.48Å; F85-P135 HydrophobicContact CB-CB 4.45Å; F85-P135 HydrophobicContact CD1-CB 4.19Å; F85-P135 HydrophobicContact CD2-CB 4.33Å; F85-P135 HydrophobicContact CG-CB 4.06Å; A86-P135 WeakPolarHBondContact CB-O 3.47Å; A86-P135 PolarHBondContact N-O 2.98Å; E132-P135 WeakPolarHBondContact O-CD 3.09Å; K133-P135 VanDerWaalsContact C-N 3.34Å |
| 136 | E | 85.2 | Confident | 86.5 | Confident | 135 Ų | 135 | 55.5 Ų | 55.5 | 63% | 0.631 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -84.5 | -24.6 | -175.2 | -59.8 | 175.9 | 175.1 | 0 | 0 | 112.8 | K133 L134 C138 | K133-E136 PolarHBondContact O-N 2.81Å; L134-E136 PolarHBondContact O-N 2.83Å; E136-C138 PolarHBondContact O-N 2.8Å |
| 137 | N | 86.5 | Confident | 86.4 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | trans | -101.5 | 67.5 | -167.2 | -70.3 | -59.1 | 0 | 0 | 0 | 112.3 | Y126 R127 K133 L134 L139 | Y126-N137 VanDerWaalsContact CA-O 3.3Å; Y126-N137 WeakPolarHBondContact CA-O 3.17Å; R127-N137 PolarHBondContact N-O 2.75Å; R127-N137 WeakPolarHBondContact O-CB 3.17Å; K133-N137 PolarHBondContact O-ND2 3.39Å; L134-N137 PolarHBondContact O-N 2.92Å; N137-L139 PolarHBondContact O-N 2.88Å | ||
| 138 | C | 85 | Confident | 86.4 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 119.4 | 172.1 | -171 | 0 | 0 | 0 | 0 | 110.5 | Y87 Y126 E136 | Y87-C138 HydrophobicContact CD2-CB 3.27Å; Y87-C138 HydrophobicContact CE2-CB 3.65Å; Y87-C138 HydrophobicContact CG-CB 4.21Å; Y126-C138 HydrophobicContact CD1-CB 3.85Å; Y126-C138 HydrophobicContact CE1-CB 3.7Å; E136-C138 PolarHBondContact O-N 2.8Å |
| 139 | L | 83.7 | Confident | 86.5 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -34.6 | -174.8 | -178.8 | 64.8 | 0 | 0 | 0 | 112.5 | F109 I125 R127 N137 Y227 | F109-L139 HydrophobicContact CE1-CD2 4.18Å; I125-L139 WeakPolarHBondContact O-CA 3.34Å; I125-L139 WeakPolarHBondContact O-CB 3.34Å; I125-L139 PolarHBondContact O-N 2.73Å; R127-L139 HydrophobicContact CB-CB 4.35Å; R127-L139 HydrophobicContact CB-CD2 3.89Å; N137-L139 PolarHBondContact O-N 2.88Å; L139-Y227 HydrophobicContact CD2-CD1 4.38Å; L139-Y227 HydrophobicContact CD2-CD2 3.43Å; L139-Y227 VanDerWaalsContact CD2-CD2 3.43Å; L139-Y227 HydrophobicContact CD2-CE2 4.17Å; L139-Y227 HydrophobicContact CD2-CG 3.54Å; L139-Y227 HydrophobicContact CG-CD2 4.37Å; L139-Y227 HydrophobicContact CG-CG 4.41Å |
| 140 | S | 83.3 | Confident | 86.9 | Confident | 13 Ų | 13 | 49 Ų | 49 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138 | -177.8 | -166.2 | 0 | 0 | 0 | 0 | 110.5 | N124 I125 Y227 | N124-S140 WeakPolarHBondContact CA-O 3.37Å; I125-S140 PolarHBondContact N-O 3.48Å; I125-S140 PolarHBondContact O-N 3.37Å; S140-Y227 PolarHBondContact OG-O 3.38Å |
| 141 | Y | 83.8 | Confident | 87.3 | Confident | 126 Ų | 126 | 48.1 Ų | 48.1 | 49% | 0.494 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.9 | 173.6 | 174.2 | -89.9 | 0 | 0 | 0 | 107.6 | F114 Y122 N124 | F114-Y141 HydrophobicContact CZ-CE2 4.41Å; Y122-Y141 HydrophobicContact CD1-CE1 4.16Å; Y122-Y141 HydrophobicContact CD1-CE2 4.04Å; Y122-Y141 AromaticContact CD1-CZ 3.51Å; Y122-Y141 WeakPolarHBondContact CD1-OH 3.42Å; Y122-Y141 HydrophobicContact CE1-CE1 4.35Å; Y122-Y141 AromaticContact CE1-CZ 3.78Å; Y122-Y141 WeakPolarHBondContact CE1-OH 3.32Å; N124-Y141 WeakPolarHBondContact OD1-CD2 3.44Å |
| 142 | S | 88 | Confident | 88 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.9 | -174.8 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | Y122 L123 F192 | Y122-S142 CarbonylContact C-O 3.44Å; Y122-S142 VanDerWaalsContact CA-O 3.3Å; Y122-S142 WeakPolarHBondContact CA-O 3.43Å; L123-S142 PolarHBondContact N-O 2.83Å; L123-S142 PolarHBondContact O-N 3Å; S142-F192 WeakPolarHBondContact OG-CE1 3.39Å |
| 143 | K | 89.9 | Confident | 88.8 | Confident | 115 Ų | 115 | 45.7 Ų | 45.7 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 135.4 | 175.8 | -177.1 | 179.3 | 172.5 | -168.1 | 0 | 110.2 | Y122 | Y122-K143 HydrophobicContact CD1-CB 4.18Å; Y122-K143 HydrophobicContact CD1-CG 4.24Å; Y122-K143 HydrophobicContact CE1-CB 4.1Å; Y122-K143 HydrophobicContact CE1-CD 4.31Å; Y122-K143 HydrophobicContact CE1-CG 3.81Å |
| 144 | L | 91.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -104.9 | 152.4 | 179.6 | -54.6 | 170.4 | 0 | 0 | 0 | 110.5 | G121 C146 P148 L168 K190 F192 | G121-L144 WeakPolarHBondContact O-CB 3.41Å; G121-L144 PolarHBondContact O-N 3.33Å; L144-C146 VanDerWaalsContact C-N 3.33Å; L144-C146 VanDerWaalsContact CB-O 3.29Å; L144-C146 WeakPolarHBondContact CB-O 3.04Å; L144-P148 HydrophobicContact CD1-CB 3.83Å; L144-P148 HydrophobicContact CD1-CG 4.15Å; L144-L168 HydrophobicContact CD1-CD2 3.56Å; L144-L168 HydrophobicContact CD2-CD2 3.75Å; L144-L168 HydrophobicContact CG-CD2 4.3Å; L144-K190 HydrophobicContact CD2-CD 3.77Å; L144-F192 HydrophobicContact CD2-CZ 4.41Å | ||
| 145 | P | 87.4 | Confident | 89.7 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -71.5 | -28.9 | 175.2 | 29.7 | -35 | 0 | 0 | 0 | 112.7 | Y170 | P145-Y170 HydrophobicContact CG-CD2 3.81Å; P145-Y170 HydrophobicContact CG-CE2 3.38Å |
| 146 | C | 88.6 | Confident | 90 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -139.3 | -179 | -178.4 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | G121 L144 Y170 E172 | G121-C146 WeakPolarHBondContact CA-O 3.35Å; L144-C146 VanDerWaalsContact C-N 3.33Å; L144-C146 VanDerWaalsContact CB-O 3.29Å; L144-C146 WeakPolarHBondContact CB-O 3.04Å; C146-Y170 HydrophobicContact CB-CD2 4.28Å; C146-E172 HydrophobicContact CB-CG 4.21Å |
| 147 | A | 89.9 | Confident | 90.2 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 23% | 0.231 | 20% | 0.197 | C | C | . | . | trans | -61.7 | 137.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V115 Y170 G171 | V115-A147 HydrophobicContact CG1-CB 3.7Å; A147-Y170 CarbonylContact O-C 3.58Å; A147-Y170 VanDerWaalsContact O-CA 3.24Å; A147-Y170 WeakPolarHBondContact O-CA 3.3Å; A147-Y170 WeakPolarHBondContact O-CB 3.29Å; A147-G171 PolarHBondContact O-N 3.19Å | ||
| 148 | P | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 152.8 | 166 | 27.1 | -30.1 | 0 | 0 | 0 | 110.3 | V95 L144 L168 | V95-P148 HydrophobicContact CB-CG 4.06Å; V95-P148 WeakPolarHBondContact CG1-O 3.48Å; V95-P148 HydrophobicContact CG2-CG 4.18Å; L144-P148 HydrophobicContact CD1-CB 3.83Å; L144-P148 HydrophobicContact CD1-CG 4.15Å; P148-L168 HydrophobicContact CB-CD1 3.76Å; P148-L168 HydrophobicContact CB-CD2 4.37Å; P148-L168 HydrophobicContact CB-CG 4.49Å |
| 149 | L | 92.4 | Very high | 90 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | -69.6 | -178 | -62.8 | 174.7 | 0 | 0 | 0 | 111.2 | S169 P173 I250 L252 | L149-S169 PolarHBondContact N-O 2.92Å; L149-P173 HydrophobicContact CD2-CG 3.84Å; L149-I250 HydrophobicContact CD1-CG2 3.23Å; L149-L252 HydrophobicContact CD1-CD2 4.46Å |
| 150 | H | 94.6 | Very high | 89.9 | Confident | 34 Ų | 34 | 45 Ų | 45 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.8 | -179.4 | -174.2 | 65.9 | 0 | 0 | 0 | 111.3 | L168 S169 L252 H253 M254 | H150-L168 WeakPolarHBondContact O-CA 3.49Å; H150-S169 WeakPolarHBondContact CB-OG 3.38Å; H150-S169 PolarHBondContact N-OG 2.9Å; H150-S169 VanDerWaalsContact N-OG 3.08Å; H150-S169 PolarHBondContact O-N 3.01Å; H150-S169 PolarHBondContact O-OG 2.9Å; H150-L252 WeakPolarHBondContact CB-O 3.49Å; H150-H253 AromaticContact CE1-CD2 3.45Å; H150-H253 PolarHBondContact CE1-CD2 2.98Å; H150-H253 VanDerWaalsContact CE1-CD2 3.45Å; H150-H253 AromaticContact CE1-NE2 3.55Å; H150-H253 AromaticContact ND1-CD2 3.94Å; H150-H253 AromaticContact NE2-CD2 3.71Å; H150-H253 AromaticContact NE2-NE2 3.77Å; H150-M254 HydrophobicContact CB-CE 4.43Å; H150-M254 PolarHBondContact CD2-N 2.84Å; H150-M254 PolarHBondContact NE2-N 2.96Å; H150-M254 PolarHBondContact NE2-O 3Å; H150-M254 VanDerWaalsContact NE2-O 3.12Å; H150-M254 WeakPolarHBondContact O-CE 3.46Å |
| 151 | L | 95.3 | Very high | 90 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.8 | -178.1 | -176.3 | 66.7 | 0 | 0 | 0 | 109.6 | C96 N98 A111 L123 F166 F167 L168 | C96-L151 HydrophobicContact CB-CB 3.89Å; N98-L151 HydrophobicContact CB-CB 4.3Å; N98-L151 HydrophobicContact CB-CD2 3.9Å; N98-L151 HydrophobicContact CB-CG 3.67Å; N98-L151 PolarHBondContact ND2-O 2.93Å; A111-L151 HydrophobicContact CB-CD1 4.44Å; A111-L151 HydrophobicContact CB-CD2 3.67Å; A111-L151 WeakPolarHBondContact O-CD2 3.37Å; L123-L151 HydrophobicContact CD1-CD1 4.1Å; L123-L151 HydrophobicContact CD1-CD2 4Å; L151-F166 HydrophobicContact CD1-CB 4.19Å; L151-F166 HydrophobicContact CD1-CD1 4.37Å; L151-F167 WeakPolarHBondContact CA-O 3.39Å; L151-L168 HydrophobicContact CB-CD1 4.19Å; L151-L168 HydrophobicContact CD1-CB 4.01Å; L151-L168 HydrophobicContact CD1-CD1 4.02Å |
| 152 | T | 95.5 | Very high | 90.1 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | -179.6 | 175.1 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | F166 F167 M254 F256 | T152-F166 CarbonylContact O-C 3.53Å; T152-F166 WeakPolarHBondContact O-CA 3.43Å; T152-F167 HydrophobicContact CG2-CB 3.95Å; T152-F167 PolarHBondContact N-O 3.47Å; T152-F167 PolarHBondContact O-N 3.26Å; T152-M254 HydrophobicContact CG2-CB 3.94Å; T152-M254 HydrophobicContact CG2-CE 4.32Å; T152-F256 HydrophobicContact CG2-CD2 3.69Å; T152-F256 HydrophobicContact CG2-CE2 3.48Å; T152-F256 VanDerWaalsContact CG2-CE2 3.48Å |
| 153 | H | 96.1 | Very high | 90.3 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 155.8 | 172.3 | 63.7 | -88.5 | 0 | 0 | 0 | 110.8 | N98 L100 A165 F166 | N98-H153 PolarHBondContact OD1-ND1 2.76Å; L100-H153 HydrophobicContact CD2-CB 3.75Å; H153-A165 CarbonylContact C-O 3.58Å; H153-A165 VanDerWaalsContact CA-O 3.23Å; H153-A165 WeakPolarHBondContact CA-O 3.39Å; H153-A165 WeakPolarHBondContact CB-O 3.3Å; H153-F166 HydrophobicContact CB-CD1 3.98Å; H153-F166 HydrophobicContact CB-CE1 4.26Å |
| 154 | A | 96.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 142.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | W164 A165 F167 F239 F256 | A154-W164 CarbonylContact O-C 3.57Å; A154-W164 VanDerWaalsContact O-CA 3.32Å; A154-W164 WeakPolarHBondContact O-CA 3.1Å; A154-A165 PolarHBondContact N-O 3.03Å; A154-A165 PolarHBondContact O-N 3Å; A154-F167 HydrophobicContact CB-CD2 3.91Å; A154-F167 HydrophobicContact CB-CE2 3.56Å; A154-F167 HydrophobicContact CB-CZ 4.25Å; A154-F239 HydrophobicContact CB-CE1 4.09Å; A154-F256 HydrophobicContact CB-CB 4Å; A154-F256 HydrophobicContact CB-CD1 3.54Å; A154-F256 HydrophobicContact CB-CD2 3.88Å; A154-F256 HydrophobicContact CB-CE1 3.91Å; A154-F256 HydrophobicContact CB-CE2 4.25Å; A154-F256 HydrophobicContact CB-CG 3.52Å; A154-F256 HydrophobicContact CB-CZ 4.27Å |
| 155 | H | 93.9 | Very high | 90.6 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 155.5 | 175.2 | -73.9 | -110.3 | 0 | 0 | 0 | 111.3 | D162 Q163 I258 R263 M281 | H155-D162 IonicContact CE1-OD2 2.84Å; H155-D162 PolarHBondContact CE1-OD2 3.21Å; H155-D162 IonicContact CG-OD1 3.59Å; H155-D162 IonicContact CG-OD2 3.91Å; H155-D162 IonicContact ND1-OD1 3.5Å; H155-D162 PolarHBondContact ND1-OD1 2.83Å; H155-D162 IonicContact ND1-OD2 3.39Å; H155-D162 PolarHBondContact ND1-OD2 2.94Å; H155-Q163 CarbonylContact C-O 3.5Å; H155-Q163 VanDerWaalsContact CA-O 3.22Å; H155-Q163 WeakPolarHBondContact CA-O 2.93Å; H155-I258 HydrophobicContact CB-CD1 3.41Å; H155-I258 VanDerWaalsContact CB-CD1 3.41Å; H155-R263 WeakPolarHBondContact O-CD 3.46Å; H155-R263 PolarHBondContact O-NH1 2.86Å; H155-M281 HydrophobicContact CB-CE 4.37Å |
| 156 | C | 91.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162.1 | -179.6 | 65.4 | 0 | 0 | 0 | 0 | 109.7 | Q163 F239 | C156-Q163 PolarHBondContact N-O 2.95Å; C156-Q163 PolarHBondContact O-N 2.87Å; C156-F239 HydrophobicContact CB-CE1 3.87Å; C156-F239 HydrophobicContact CB-CZ 3.79Å |
| 157 | L | 88.7 | Confident | 91.5 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.6 | 174.3 | -67.8 | 173.9 | 0 | 0 | 0 | 110.3 | E161 M281 K282 | L157-E161 WeakPolarHBondContact CA-O 3.35Å; L157-M281 HydrophobicContact CD1-CB 3.79Å; L157-M281 HydrophobicContact CG-CB 4Å; L157-M281 HydrophobicContact CG-CE 4.15Å; L157-K282 HydrophobicContact CD1-CG 3.78Å |
| 158 | V | 84.6 | Confident | 91.8 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.1 | 170.3 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | D160 E161 Q163 D197 F201 L238 | V158-D160 PolarHBondContact O-N 2.98Å; V158-E161 PolarHBondContact N-O 3.06Å; V158-E161 WeakPolarHBondContact O-CB 3.46Å; V158-E161 PolarHBondContact O-N 2.83Å; V158-Q163 HydrophobicContact CB-CG 3.82Å; V158-Q163 HydrophobicContact CG2-CB 4.05Å; V158-Q163 HydrophobicContact CG2-CG 3.83Å; V158-D197 HydrophobicContact CG1-CB 4.48Å; V158-F201 HydrophobicContact CG1-CZ 3.94Å; V158-F201 HydrophobicContact CG2-CZ 4.17Å; V158-L238 HydrophobicContact CG2-CD2 3.88Å |
| 159 | K | 83.1 | Confident | 92 | Very high | 152 Ų | 152 | 35.4 Ų | 35.4 | 66% | 0.661 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 42.1 | -175.6 | -56.7 | -178.6 | -176.6 | 178.7 | 0 | 113.2 | E161 | K159-E161 PolarHBondContact O-N 2.94Š|
| 160 | D | 81.6 | Confident | 92 | Very high | 137 Ų | 137 | 35.3 Ų | 35.3 | 73% | 0.733 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 8 | -176.2 | -56.6 | -51.7 | 0 | 0 | 0 | 115.7 | V158 | V158-D160 PolarHBondContact O-N 2.98Š|
| 161 | E | 85.3 | Confident | 91.9 | Very high | 123 Ų | 123 | 33.7 Ų | 33.7 | 58% | 0.575 | 16% | 0.163 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 140.1 | 170 | -62.4 | -176.4 | 171.7 | 0 | 0 | 110.8 | L157 V158 K159 Q163 | L157-E161 WeakPolarHBondContact CA-O 3.35Å; V158-E161 PolarHBondContact N-O 3.06Å; V158-E161 WeakPolarHBondContact O-CB 3.46Å; V158-E161 PolarHBondContact O-N 2.83Å; K159-E161 PolarHBondContact O-N 2.94Å; E161-Q163 PolarHBondContact O-N 2.9Å |
| 162 | D | 87 | Confident | 91.4 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 123 | 173 | -171.8 | 53.4 | 0 | 0 | 0 | 110.1 | H155 | H155-D162 IonicContact CE1-OD2 2.84Å; H155-D162 PolarHBondContact CE1-OD2 3.21Å; H155-D162 IonicContact CG-OD1 3.59Å; H155-D162 IonicContact CG-OD2 3.91Å; H155-D162 IonicContact ND1-OD1 3.5Å; H155-D162 PolarHBondContact ND1-OD1 2.83Å; H155-D162 IonicContact ND1-OD2 3.39Å; H155-D162 PolarHBondContact ND1-OD2 2.94Å |
| 163 | Q | 90.5 | Very high | 90.5 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.103 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 170.2 | 177.3 | -65.5 | -59 | -27 | 0 | 0 | 108.8 | H155 C156 V158 E161 | H155-Q163 CarbonylContact C-O 3.5Å; H155-Q163 VanDerWaalsContact CA-O 3.22Å; H155-Q163 WeakPolarHBondContact CA-O 2.93Å; C156-Q163 PolarHBondContact N-O 2.95Å; C156-Q163 PolarHBondContact O-N 2.87Å; V158-Q163 HydrophobicContact CB-CG 3.82Å; V158-Q163 HydrophobicContact CG2-CB 4.05Å; V158-Q163 HydrophobicContact CG2-CG 3.83Å; E161-Q163 PolarHBondContact O-N 2.9Å |
| 164 | W | 93.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 161.7 | -178.4 | 58.6 | -94.5 | 0 | 0 | 0 | 111.6 | L100 F109 A154 F166 S193 Y227 | L100-W164 HydrophobicContact CD1-CD2 3.82Å; L100-W164 HydrophobicContact CD1-CE3 4.3Å; L100-W164 HydrophobicContact CD1-CG 4.25Å; L100-W164 HydrophobicContact CD1-CH2 4.3Å; L100-W164 HydrophobicContact CD1-CZ2 3.81Å; L100-W164 HydrophobicContact CD2-CD2 3.76Å; L100-W164 HydrophobicContact CD2-CE3 3.46Å; L100-W164 VanDerWaalsContact CD2-CE3 3.46Å; L100-W164 HydrophobicContact CD2-CG 4.42Å; L100-W164 HydrophobicContact CD2-CH2 4.19Å; L100-W164 HydrophobicContact CD2-CZ2 4.45Å; L100-W164 HydrophobicContact CD2-CZ3 3.71Å; L100-W164 HydrophobicContact CG-CD2 4.46Å; L100-W164 HydrophobicContact CG-CE3 4.5Å; F109-W164 HydrophobicContact CB-CH2 3.93Å; F109-W164 HydrophobicContact CB-CZ2 4.2Å; F109-W164 AromaticContact CD1-CH2 3.46Å; F109-W164 HydrophobicContact CD1-CH2 3.46Å; F109-W164 VanDerWaalsContact CD1-CH2 3.46Å; F109-W164 AromaticContact CD1-CZ2 3.6Å; F109-W164 HydrophobicContact CD1-CZ2 3.6Å; F109-W164 HydrophobicContact CD2-CH2 4.09Å; F109-W164 AromaticContact CD2-CZ2 3.51Å; F109-W164 HydrophobicContact CD2-CZ2 3.51Å; F109-W164 AromaticContact CE1-CH2 3.89Å; F109-W164 HydrophobicContact CE1-CH2 3.89Å; F109-W164 AromaticContact CE1-CZ2 3.69Å; F109-W164 HydrophobicContact CE1-CZ2 3.69Å; F109-W164 HydrophobicContact CE2-CH2 4.49Å; F109-W164 AromaticContact CE2-CZ2 3.65Å; F109-W164 HydrophobicContact CE2-CZ2 3.65Å; F109-W164 AromaticContact CG-CH2 3.56Å; F109-W164 HydrophobicContact CG-CH2 3.56Å; F109-W164 AromaticContact CG-CZ2 3.49Å; F109-W164 HydrophobicContact CG-CZ2 3.49Å; F109-W164 VanDerWaalsContact CG-CZ2 3.49Å; F109-W164 HydrophobicContact CZ-CH2 4.4Å; F109-W164 AromaticContact CZ-CZ2 3.73Å; F109-W164 HydrophobicContact CZ-CZ2 3.73Å; A154-W164 CarbonylContact O-C 3.57Å; A154-W164 VanDerWaalsContact O-CA 3.32Å; A154-W164 WeakPolarHBondContact O-CA 3.1Å; W164-F166 HydrophobicContact CE3-CE2 4.49Å; W164-F166 HydrophobicContact CH2-CD2 4.31Å; W164-F166 AromaticContact CH2-CE2 3.82Å; W164-F166 HydrophobicContact CH2-CE2 3.82Å; W164-F166 HydrophobicContact CH2-CZ 4.48Å; W164-F166 AromaticContact CZ3-CD2 3.57Å; W164-F166 HydrophobicContact CZ3-CD2 3.57Å; W164-F166 AromaticContact CZ3-CE2 3.43Å; W164-F166 HydrophobicContact CZ3-CE2 3.43Å; W164-F166 VanDerWaalsContact CZ3-CE2 3.43Å; W164-F166 HydrophobicContact CZ3-CG 4.3Å; W164-F166 HydrophobicContact CZ3-CZ 4.08Å; W164-S193 PolarHBondContact O-OG 2.78Å; W164-Y227 HydrophobicContact CH2-CD1 4.28Å; W164-Y227 AromaticContact CH2-CE1 3.49Å; W164-Y227 HydrophobicContact CH2-CE1 3.49Å; W164-Y227 VanDerWaalsContact CH2-CE1 3.49Å; W164-Y227 AromaticContact CZ2-CE1 3.73Å; W164-Y227 HydrophobicContact CZ2-CE1 3.73Å; W164-Y227 AromaticContact CZ2-CZ 3.99Å; W164-Y227 HydrophobicContact CZ3-CE1 4.16Å |
| 165 | A | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H153 A154 F167 I191 F192 F239 | H153-A165 CarbonylContact C-O 3.58Å; H153-A165 VanDerWaalsContact CA-O 3.23Å; H153-A165 WeakPolarHBondContact CA-O 3.39Å; H153-A165 WeakPolarHBondContact CB-O 3.3Å; A154-A165 PolarHBondContact N-O 3.03Å; A154-A165 PolarHBondContact O-N 3Å; A165-F167 HydrophobicContact CB-CE2 4.45Å; A165-I191 HydrophobicContact CB-CG2 3.53Å; A165-F192 CarbonylContact C-O 3.59Å; A165-F192 VanDerWaalsContact CA-O 3.29Å; A165-F192 WeakPolarHBondContact CA-O 3.12Å; A165-F239 HydrophobicContact CB-CE2 3.75Å; A165-F239 HydrophobicContact CB-CZ 3.69Å |
| 166 | F | 96.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 136.8 | 166.3 | -73.2 | -66.1 | 0 | 0 | 0 | 110.1 | N98 L100 F109 A111 I125 L151 T152 H153 W164 I191 F192 | N98-F166 HydrophobicContact CB-CD1 4.39Å; N98-F166 HydrophobicContact CB-CE1 4.11Å; L100-F166 HydrophobicContact CD2-CD1 4.44Å; L100-F166 HydrophobicContact CD2-CE1 3.69Å; L100-F166 HydrophobicContact CD2-CE2 4.31Å; L100-F166 HydrophobicContact CD2-CZ 3.6Å; L100-F166 HydrophobicContact CG-CZ 4.25Å; F109-F166 HydrophobicContact CB-CE2 4.27Å; F109-F166 HydrophobicContact CB-CZ 4.15Å; A111-F166 HydrophobicContact CB-CD1 3.92Å; A111-F166 HydrophobicContact CB-CD2 3.76Å; A111-F166 HydrophobicContact CB-CE1 3.8Å; A111-F166 HydrophobicContact CB-CE2 3.63Å; A111-F166 HydrophobicContact CB-CG 3.92Å; A111-F166 HydrophobicContact CB-CZ 3.66Å; I125-F166 HydrophobicContact CD1-CD2 4.14Å; I125-F166 HydrophobicContact CG1-CD2 4.48Å; I125-F166 HydrophobicContact CG2-CD2 4.48Å; I125-F166 HydrophobicContact CG2-CE2 4.05Å; L151-F166 HydrophobicContact CD1-CB 4.19Å; L151-F166 HydrophobicContact CD1-CD1 4.37Å; T152-F166 CarbonylContact O-C 3.53Å; T152-F166 WeakPolarHBondContact O-CA 3.43Å; H153-F166 HydrophobicContact CB-CD1 3.98Å; H153-F166 HydrophobicContact CB-CE1 4.26Å; W164-F166 HydrophobicContact CE3-CE2 4.49Å; W164-F166 HydrophobicContact CH2-CD2 4.31Å; W164-F166 AromaticContact CH2-CE2 3.82Å; W164-F166 HydrophobicContact CH2-CE2 3.82Å; W164-F166 HydrophobicContact CH2-CZ 4.48Å; W164-F166 AromaticContact CZ3-CD2 3.57Å; W164-F166 HydrophobicContact CZ3-CD2 3.57Å; W164-F166 AromaticContact CZ3-CE2 3.43Å; W164-F166 HydrophobicContact CZ3-CE2 3.43Å; W164-F166 VanDerWaalsContact CZ3-CE2 3.43Å; W164-F166 HydrophobicContact CZ3-CG 4.3Å; W164-F166 HydrophobicContact CZ3-CZ 4.08Å; F166-I191 CarbonylContact O-C 3.55Å; F166-I191 WeakPolarHBondContact O-CA 3.45Å; F166-F192 HydrophobicContact CB-CB 4.27Å; F166-F192 PolarHBondContact N-O 3.43Å; F166-F192 PolarHBondContact O-N 2.92Å |
| 167 | F | 97.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.3 | 173.4 | -83.9 | -113.5 | 0 | 0 | 0 | 108.3 | L151 T152 A154 A165 V189 I191 F239 L242 M254 F256 | L151-F167 WeakPolarHBondContact CA-O 3.39Å; T152-F167 HydrophobicContact CG2-CB 3.95Å; T152-F167 PolarHBondContact N-O 3.47Å; T152-F167 PolarHBondContact O-N 3.26Å; A154-F167 HydrophobicContact CB-CD2 3.91Å; A154-F167 HydrophobicContact CB-CE2 3.56Å; A154-F167 HydrophobicContact CB-CZ 4.25Å; A165-F167 HydrophobicContact CB-CE2 4.45Å; F167-V189 HydrophobicContact CD1-CG1 3.91Å; F167-I191 HydrophobicContact CB-CD1 4.42Å; F167-I191 HydrophobicContact CD1-CD1 3.28Å; F167-I191 HydrophobicContact CD2-CD1 3.83Å; F167-I191 HydrophobicContact CE1-CD1 3.26Å; F167-I191 HydrophobicContact CE2-CD1 3.77Å; F167-I191 HydrophobicContact CE2-CG2 4.5Å; F167-I191 HydrophobicContact CG-CD1 3.58Å; F167-I191 HydrophobicContact CZ-CD1 3.5Å; F167-F239 AromaticContact CE2-CD1 3.8Å; F167-F239 HydrophobicContact CE2-CD1 3.8Å; F167-F239 HydrophobicContact CE2-CD2 4.28Å; F167-F239 AromaticContact CE2-CE1 3.63Å; F167-F239 HydrophobicContact CE2-CE1 3.63Å; F167-F239 HydrophobicContact CE2-CE2 4.14Å; F167-F239 HydrophobicContact CE2-CG 4.14Å; F167-F239 AromaticContact CE2-CZ 3.82Å; F167-F239 HydrophobicContact CE2-CZ 3.82Å; F167-F239 HydrophobicContact CZ-CB 4.05Å; F167-F239 AromaticContact CZ-CD1 3.4Å; F167-F239 HydrophobicContact CZ-CD1 3.4Å; F167-F239 HydrophobicContact CZ-CD2 4Å; F167-F239 AromaticContact CZ-CE1 3.76Å; F167-F239 HydrophobicContact CZ-CE1 3.76Å; F167-F239 HydrophobicContact CZ-CE2 4.32Å; F167-F239 AromaticContact CZ-CG 3.54Å; F167-F239 HydrophobicContact CZ-CG 3.54Å; F167-F239 HydrophobicContact CZ-CZ 4.22Å; F167-L242 HydrophobicContact CE1-CD2 4.1Å; F167-M254 HydrophobicContact CB-CE 4.09Å; F167-M254 HydrophobicContact CB-SD 4.33Å; F167-M254 HydrophobicContact CD1-SD 4.49Å; F167-F256 HydrophobicContact CB-CE2 4.17Å; F167-F256 HydrophobicContact CB-CZ 4.46Å; F167-F256 HydrophobicContact CD1-CE1 4.31Å; F167-F256 AromaticContact CD1-CE2 3.95Å; F167-F256 HydrophobicContact CD1-CE2 3.95Å; F167-F256 AromaticContact CD1-CZ 3.39Å; F167-F256 HydrophobicContact CD1-CZ 3.39Å; F167-F256 HydrophobicContact CD2-CE2 4.3Å; F167-F256 HydrophobicContact CD2-CZ 4.19Å; F167-F256 AromaticContact CE1-CE1 3.96Å; F167-F256 HydrophobicContact CE1-CE1 3.96Å; F167-F256 HydrophobicContact CE1-CE2 4.4Å; F167-F256 AromaticContact CE1-CZ 3.48Å; F167-F256 HydrophobicContact CE1-CZ 3.48Å; F167-F256 VanDerWaalsContact CE1-CZ 3.48Å; F167-F256 HydrophobicContact CE2-CZ 4.29Å; F167-F256 AromaticContact CG-CE2 3.88Å; F167-F256 HydrophobicContact CG-CE2 3.88Å; F167-F256 AromaticContact CG-CZ 3.76Å; F167-F256 HydrophobicContact CG-CZ 3.76Å; F167-F256 HydrophobicContact CZ-CE1 4.1Å; F167-F256 AromaticContact CZ-CZ 3.94Å; F167-F256 HydrophobicContact CZ-CZ 3.94Å |
| 168 | L | 96.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.3 | 177.7 | 178 | 69.4 | 0 | 0 | 0 | 109.9 | L123 L144 P148 H150 L151 V189 K190 F192 | L123-L168 HydrophobicContact CB-CD2 4.15Å; L123-L168 HydrophobicContact CD1-CD2 4.22Å; L123-L168 HydrophobicContact CD2-CD2 4.2Å; L123-L168 HydrophobicContact CG-CD2 4.43Å; L144-L168 HydrophobicContact CD1-CD2 3.56Å; L144-L168 HydrophobicContact CD2-CD2 3.75Å; L144-L168 HydrophobicContact CG-CD2 4.3Å; P148-L168 HydrophobicContact CB-CD1 3.76Å; P148-L168 HydrophobicContact CB-CD2 4.37Å; P148-L168 HydrophobicContact CB-CG 4.49Å; H150-L168 WeakPolarHBondContact O-CA 3.49Å; L151-L168 HydrophobicContact CB-CD1 4.19Å; L151-L168 HydrophobicContact CD1-CB 4.01Å; L151-L168 HydrophobicContact CD1-CD1 4.02Å; L168-V189 CarbonylContact O-C 3.6Å; L168-V189 WeakPolarHBondContact O-CA 3.24Å; L168-K190 PolarHBondContact N-O 2.88Å; L168-K190 PolarHBondContact O-N 3.19Å; L168-F192 HydrophobicContact CB-CD2 4.47Å; L168-F192 HydrophobicContact CB-CE2 4Å; L168-F192 HydrophobicContact CD2-CE2 4.07Å |
| 169 | S | 95.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 147.3 | 163 | 67.2 | 0 | 0 | 0 | 0 | 110.2 | L149 H150 Q188 F251 | L149-S169 PolarHBondContact N-O 2.92Å; H150-S169 WeakPolarHBondContact CB-OG 3.38Å; H150-S169 PolarHBondContact N-OG 2.9Å; H150-S169 VanDerWaalsContact N-OG 3.08Å; H150-S169 PolarHBondContact O-N 3.01Å; H150-S169 PolarHBondContact O-OG 2.9Å; S169-Q188 WeakPolarHBondContact CA-O 3.41Å; S169-F251 WeakPolarHBondContact CB-O 3.23Å; S169-F251 PolarHBondContact OG-O 2.92Å |
| 170 | Y | 93.6 | Very high | 78.8 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 159.8 | -179.2 | 66.9 | -83.7 | 0 | 0 | 0 | 109.6 | P145 C146 A147 Q188 K190 | P145-Y170 HydrophobicContact CG-CD2 3.81Å; P145-Y170 HydrophobicContact CG-CE2 3.38Å; C146-Y170 HydrophobicContact CB-CD2 4.28Å; A147-Y170 CarbonylContact O-C 3.58Å; A147-Y170 VanDerWaalsContact O-CA 3.24Å; A147-Y170 WeakPolarHBondContact O-CA 3.3Å; A147-Y170 WeakPolarHBondContact O-CB 3.29Å; Y170-Q188 WeakPolarHBondContact CD1-O 3.46Å; Y170-Q188 HydrophobicContact CE1-CB 4.22Å; Y170-Q188 HydrophobicContact CE2-CB 4.37Å; Y170-Q188 PolarHBondContact N-O 3.21Å; Y170-Q188 VanDerWaalsContact O-CB 3.32Å; Y170-Q188 WeakPolarHBondContact O-CB 3.45Å; Y170-Q188 PolarHBondContact O-OE1 3.01Å; Y170-Q188 VanDerWaalsContact O-OE1 3.06Å; Y170-K190 HydrophobicContact CD1-CD 4.37Å; Y170-K190 HydrophobicContact CD1-CG 4.22Å; Y170-K190 HydrophobicContact CE1-CD 4.07Å; Y170-K190 HydrophobicContact CE1-CG 3.72Å |
| 171 | G | 91.1 | Very high | 77.4 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | 156.9 | -175.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A147 P173 | A147-G171 PolarHBondContact O-N 3.19Å; G171-P173 WeakPolarHBondContact O-CD 3.47Å | ||
| 172 | E | 86.5 | Confident | 76 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | trans | -119.3 | 81.1 | 175.9 | -67.5 | 175.9 | -173.6 | 0 | 0 | 109.6 | C146 F174 S175 | C146-E172 HydrophobicContact CB-CG 4.21Å; E172-F174 PolarHBondContact O-N 3.46Å; E172-S175 PolarHBondContact O-N 3.48Å | ||
| 173 | P | 74.8 | Confident | 74.7 | Confident | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.3 | -175.5 | 24.2 | -33.2 | 0 | 0 | 0 | 112.9 | L149 G171 L252 Q270 | L149-P173 HydrophobicContact CD2-CG 3.84Å; G171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-L252 HydrophobicContact CB-CD2 4.39Å; P173-Q270 HydrophobicContact CB-CG 4.46Å; P173-Q270 PolarHBondContact O-NE2 3.45Å |
| 174 | F | 72 | Confident | 73.9 | Confident | 195 Ų | 195 | 67 Ų | 67 | 86% | 0.855 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 7.9 | -177.8 | -52.2 | -67.6 | 0 | 0 | 0 | 114.3 | E172 E176 | E172-F174 PolarHBondContact O-N 3.46Å; F174-E176 PolarHBondContact O-N 2.49Å |
| 175 | S | 69.4 | Low | 73.3 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | trans | -69.1 | 121.6 | 177.6 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | E172 T177 S178 | E172-S175 PolarHBondContact O-N 3.48Å; S175-T177 PolarHBondContact O-N 2.86Å; S175-T177 PolarHBondContact OG-OG1 2.85Å; S175-S178 PolarHBondContact O-N 2.91Å | ||
| 176 | E | 53.4 | Low | 73.1 | Confident | 192 Ų | 192 | 78.5 Ų | 78.5 | 90% | 0.897 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17.8 | 175.1 | -65.3 | -173.5 | 165.7 | 0 | 0 | 112.6 | F174 S178 | F174-E176 PolarHBondContact O-N 2.49Å; E176-S178 VanDerWaalsContact C-N 3.33Å; E176-S178 PolarHBondContact O-N 3.21Å |
| 177 | T | 51.2 | Low | 72.9 | Confident | 88 Ų | 88 | 78.7 Ų | 78.7 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 16.1 | -178.9 | 64 | 0 | 0 | 0 | 0 | 114.5 | S175 S179 Q180 | S175-T177 PolarHBondContact O-N 2.86Å; S175-T177 PolarHBondContact OG-OG1 2.85Å; T177-S179 PolarHBondContact O-N 3.01Å; T177-Q180 PolarHBondContact O-N 2.92Å |
| 178 | S | 50.7 | Low | 72.7 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 57% | 0.566 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -52.2 | -20.7 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 115 | S175 E176 Q180 | S175-S178 PolarHBondContact O-N 2.91Å; E176-S178 VanDerWaalsContact C-N 3.33Å; E176-S178 PolarHBondContact O-N 3.21Å; S178-Q180 VanDerWaalsContact C-N 3.33Å; S178-Q180 PolarHBondContact O-N 2.79Å |
| 179 | S | 47.6 | Very low | 72.7 | Confident | 110 Ų | 110 | 80 Ų | 80 | 77% | 0.769 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -77.6 | -6.6 | 173.9 | 52.6 | 0 | 0 | 0 | 0 | 115.4 | T177 | T177-S179 PolarHBondContact O-N 3.01Š|
| 180 | Q | 44.2 | Very low | 72.7 | Confident | 168 Ų | 168 | 81.4 Ų | 81.4 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -131.5 | 25.3 | -176.8 | -64.4 | -168.5 | 1.2 | 0 | 0 | 114.6 | T177 S178 K182 | T177-Q180 PolarHBondContact O-N 2.92Å; S178-Q180 VanDerWaalsContact C-N 3.33Å; S178-Q180 PolarHBondContact O-N 2.79Å; Q180-K182 PolarHBondContact O-N 3.28Å; Q180-K182 VanDerWaalsContact O-N 3.08Å |
| 181 | Q | 53.5 | Low | 72.8 | Confident | 67 Ų | 67 | 80 Ų | 80 | 31% | 0.313 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 118.5 | 168 | -74.6 | -170.7 | -0.5 | 0 | 0 | 109.1 | ||
| 182 | K | 55.9 | Low | 73 | Confident | 192 Ų | 192 | 80 Ų | 80 | 84% | 0.835 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 132.8 | 173.9 | -79.4 | 176.8 | 179.7 | 172.3 | 0 | 108 | Q180 S184 | Q180-K182 PolarHBondContact O-N 3.28Å; Q180-K182 VanDerWaalsContact O-N 3.08Å; K182-S184 PolarHBondContact O-N 2.99Å |
| 183 | P | 59 | Low | 73.2 | Confident | 108 Ų | 108 | 76.5 Ų | 76.5 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 116.6 | 178.1 | 20.6 | -30.8 | 0 | 0 | 0 | 109.2 | ||
| 184 | S | 73 | Confident | 73.8 | Confident | 44 Ų | 44 | 78.7 Ų | 78.7 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 147.9 | 168.3 | 57.9 | 0 | 0 | 0 | 0 | 108.8 | K182 Q186 T247 | K182-S184 PolarHBondContact O-N 2.99Å; S184-Q186 WeakPolarHBondContact CB-O 3.43Å; S184-Q186 PolarHBondContact O-N 3.28Å; S184-Q186 PolarHBondContact OG-O 3.42Å; S184-T247 VanDerWaalsContact O-CB 3.32Å; S184-T247 WeakPolarHBondContact O-CB 3.41Å; S184-T247 PolarHBondContact O-OG1 3.29Å; S184-T247 VanDerWaalsContact O-OG1 3.13Å; S184-T247 PolarHBondContact OG-O 2.8Å |
| 185 | N | 81.8 | Confident | 74.2 | Confident | 158 Ų | 158 | 71.7 Ų | 71.7 | 85% | 0.845 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -77.7 | -0.8 | 174.1 | -67.6 | -18.6 | 0 | 0 | 0 | 112.6 | ||
| 186 | Q | 89.9 | Confident | 74.1 | Confident | 89 Ų | 89 | 75.1 Ų | 75.1 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -143 | 145.8 | -171.6 | -62.7 | 175.7 | -5.3 | 0 | 0 | 109.9 | S184 F232 | S184-Q186 WeakPolarHBondContact CB-O 3.43Å; S184-Q186 PolarHBondContact O-N 3.28Å; S184-Q186 PolarHBondContact OG-O 3.42Å; Q186-F232 HydrophobicContact CB-CD2 4.27Å; Q186-F232 HydrophobicContact CB-CE2 4.31Å; Q186-F232 HydrophobicContact CB-CG 4.4Å; Q186-F232 HydrophobicContact CB-CZ 4.45Å; Q186-F232 VanDerWaalsContact CD-CB 3.4Å; Q186-F232 VanDerWaalsContact CD-CG 3.46Å; Q186-F232 HydrophobicContact CG-CB 4.23Å; Q186-F232 HydrophobicContact CG-CD1 3.65Å; Q186-F232 HydrophobicContact CG-CD2 4.09Å; Q186-F232 HydrophobicContact CG-CE1 3.95Å; Q186-F232 HydrophobicContact CG-CE2 4.38Å; Q186-F232 HydrophobicContact CG-CG 3.71Å; Q186-F232 HydrophobicContact CG-CZ 4.31Å |
| 187 | P | 93.4 | Very high | 74.5 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.019 | 36% | 0.361 | C | S | . | . | trans | -62.3 | 154.8 | 172.8 | 29.4 | -35.7 | 0 | 0 | 0 | 110.9 | V189 F232 L245 F251 | P187-V189 PolarHBondContact O-N 3.38Å; P187-F232 HydrophobicContact CG-CE2 3.91Å; P187-F232 HydrophobicContact CG-CZ 4.23Å; P187-L245 HydrophobicContact CB-CB 3.88Å; P187-L245 HydrophobicContact CB-CD1 4.3Å; P187-L245 HydrophobicContact CG-CB 4.18Å; P187-L245 HydrophobicContact CG-CD1 4.36Å; P187-F251 HydrophobicContact CB-CE2 4.1Å | ||
| 188 | Q | 93.9 | Very high | 75 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -77.5 | 51.3 | 178.1 | -59.1 | -172.6 | -5.9 | 0 | 0 | 112.1 | S169 Y170 | S169-Q188 WeakPolarHBondContact CA-O 3.41Å; Y170-Q188 WeakPolarHBondContact CD1-O 3.46Å; Y170-Q188 HydrophobicContact CE1-CB 4.22Å; Y170-Q188 HydrophobicContact CE2-CB 4.37Å; Y170-Q188 PolarHBondContact N-O 3.21Å; Y170-Q188 VanDerWaalsContact O-CB 3.32Å; Y170-Q188 WeakPolarHBondContact O-CB 3.45Å; Y170-Q188 PolarHBondContact O-OE1 3.01Å; Y170-Q188 VanDerWaalsContact O-OE1 3.06Å |
| 189 | V | 96.2 | Very high | 75.5 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 122 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | F167 L168 P187 I191 L242 L245 F251 M254 | F167-V189 HydrophobicContact CD1-CG1 3.91Å; L168-V189 CarbonylContact O-C 3.6Å; L168-V189 WeakPolarHBondContact O-CA 3.24Å; P187-V189 PolarHBondContact O-N 3.38Å; V189-I191 HydrophobicContact CG1-CD1 4.05Å; V189-L242 HydrophobicContact CB-CD2 4.5Å; V189-L242 HydrophobicContact CG1-CD2 4.28Å; V189-L245 HydrophobicContact CG2-CD1 4.42Å; V189-F251 HydrophobicContact CG2-CD2 3.57Å; V189-F251 HydrophobicContact CG2-CE2 4.15Å; V189-F251 HydrophobicContact CG2-CG 4.28Å; V189-M254 HydrophobicContact CG1-SD 4.07Å; V189-M254 HydrophobicContact CG2-SD 4.23Å |
| 190 | K | 95.4 | Very high | 75.9 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 13% | 0.13 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144 | 174.4 | -78.7 | 178.1 | 173.7 | -133.7 | 0 | 110.7 | L144 L168 Y170 F192 E229 | L144-K190 HydrophobicContact CD2-CD 3.77Å; L168-K190 PolarHBondContact N-O 2.88Å; L168-K190 PolarHBondContact O-N 3.19Å; Y170-K190 HydrophobicContact CD1-CD 4.37Å; Y170-K190 HydrophobicContact CD1-CG 4.22Å; Y170-K190 HydrophobicContact CE1-CD 4.07Å; Y170-K190 HydrophobicContact CE1-CG 3.72Å; K190-F192 HydrophobicContact CB-CD2 4.42Å; K190-F192 HydrophobicContact CB-CE2 3.53Å; K190-F192 HydrophobicContact CB-CZ 3.95Å; K190-F192 HydrophobicContact CD-CZ 4.19Å; K190-E229 WeakPolarHBondContact CD-OE1 3.28Å; K190-E229 WeakPolarHBondContact CE-OE1 3.25Å; K190-E229 IonicContact NZ-OE1 2.8Å; K190-E229 PolarHBondContact NZ-OE1 2.83Å; K190-E229 IonicContact NZ-OE2 3.53Å; K190-E229 PolarHBondContact NZ-OE2 2.83Å |
| 191 | I | 95.8 | Very high | 76.4 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.1 | -179.2 | -50.6 | -53.9 | 0 | 0 | 0 | 109.3 | A165 F166 F167 V189 E229 L230 A235 F239 L242 | A165-I191 HydrophobicContact CB-CG2 3.53Å; F166-I191 CarbonylContact O-C 3.55Å; F166-I191 WeakPolarHBondContact O-CA 3.45Å; F167-I191 HydrophobicContact CB-CD1 4.42Å; F167-I191 HydrophobicContact CD1-CD1 3.28Å; F167-I191 HydrophobicContact CD2-CD1 3.83Å; F167-I191 HydrophobicContact CE1-CD1 3.26Å; F167-I191 HydrophobicContact CE2-CD1 3.77Å; F167-I191 HydrophobicContact CE2-CG2 4.5Å; F167-I191 HydrophobicContact CG-CD1 3.58Å; F167-I191 HydrophobicContact CZ-CD1 3.5Å; V189-I191 HydrophobicContact CG1-CD1 4.05Å; I191-E229 WeakPolarHBondContact O-CA 3.31Å; I191-L230 HydrophobicContact CB-CB 4.39Å; I191-L230 HydrophobicContact CB-CD1 4.43Å; I191-L230 HydrophobicContact CG2-CD1 3.77Å; I191-L230 HydrophobicContact CG2-CG 4.26Å; I191-L230 PolarHBondContact O-N 2.86Å; I191-A235 HydrophobicContact CB-CB 4.16Å; I191-A235 HydrophobicContact CG1-CB 3.9Å; I191-F239 HydrophobicContact CG2-CD2 4.16Å; I191-F239 HydrophobicContact CG2-CE2 3.91Å; I191-L242 HydrophobicContact CD1-CD1 4.09Å; I191-L242 HydrophobicContact CD1-CD2 4.4Å; I191-L242 HydrophobicContact CG1-CD1 3.75Å |
| 192 | F | 94.8 | Very high | 76.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.8 | 178.6 | -58.5 | -98.4 | 0 | 0 | 0 | 110.2 | L123 I125 S142 L144 A165 F166 L168 K190 G228 E229 | L123-F192 HydrophobicContact CD2-CB 4.5Å; L123-F192 HydrophobicContact CD2-CD1 3.83Å; L123-F192 HydrophobicContact CD2-CD2 3.4Å; L123-F192 HydrophobicContact CD2-CE1 3.82Å; L123-F192 HydrophobicContact CD2-CE2 3.38Å; L123-F192 HydrophobicContact CD2-CG 3.64Å; L123-F192 HydrophobicContact CD2-CZ 3.6Å; I125-F192 HydrophobicContact CD1-CB 3.66Å; I125-F192 HydrophobicContact CD1-CD1 4.29Å; I125-F192 HydrophobicContact CD1-CG 4.17Å; S142-F192 WeakPolarHBondContact OG-CE1 3.39Å; L144-F192 HydrophobicContact CD2-CZ 4.41Å; A165-F192 CarbonylContact C-O 3.59Å; A165-F192 VanDerWaalsContact CA-O 3.29Å; A165-F192 WeakPolarHBondContact CA-O 3.12Å; F166-F192 HydrophobicContact CB-CB 4.27Å; F166-F192 PolarHBondContact N-O 3.43Å; F166-F192 PolarHBondContact O-N 2.92Å; L168-F192 HydrophobicContact CB-CD2 4.47Å; L168-F192 HydrophobicContact CB-CE2 4Å; L168-F192 HydrophobicContact CD2-CE2 4.07Å; K190-F192 HydrophobicContact CB-CD2 4.42Å; K190-F192 HydrophobicContact CB-CE2 3.53Å; K190-F192 HydrophobicContact CB-CZ 3.95Å; K190-F192 HydrophobicContact CD-CZ 4.19Å; F192-G228 VanDerWaalsContact CA-O 3.28Å; F192-G228 WeakPolarHBondContact CA-O 3.42Å; F192-E229 HydrophobicContact CD1-CB 3.93Å; F192-E229 HydrophobicContact CE1-CB 3.65Å; F192-E229 HydrophobicContact CE1-CG 4.16Å; F192-E229 HydrophobicContact CZ-CB 4.35Å; F192-E229 HydrophobicContact CZ-CG 4.39Å |
| 193 | S | 92.2 | Very high | 75.6 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | -175.9 | -178.9 | -167.4 | 0 | 0 | 0 | 0 | 110.7 | W164 L195 Y227 G228 | W164-S193 PolarHBondContact O-OG 2.78Å; S193-L195 PolarHBondContact O-N 2.87Å; S193-Y227 VanDerWaalsContact C-CD1 3.42Å; S193-Y227 VanDerWaalsContact O-CA 3.3Å; S193-Y227 WeakPolarHBondContact O-CA 3.36Å; S193-G228 PolarHBondContact N-O 2.79Å; S193-G228 PolarHBondContact O-N 2.92Å |
| 194 | K | 86.5 | Confident | 74.9 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 123.1 | 177.7 | -169.6 | -176.8 | 177.1 | -171.1 | 0 | 110.1 | I196 D197 A226 Y227 | K194-I196 VanDerWaalsContact C-N 3.34Å; K194-I196 HydrophobicContact CG-CB 4.42Å; K194-I196 PolarHBondContact O-N 2.78Å; K194-D197 PolarHBondContact O-N 3.41Å; K194-A226 CarbonylContact C-O 3.58Å; K194-A226 WeakPolarHBondContact CA-O 3.3Å; K194-A226 VanDerWaalsContact CG-O 3.28Å; K194-A226 WeakPolarHBondContact CG-O 3.48Å; K194-Y227 HydrophobicContact CB-CD1 4.35Å; K194-Y227 HydrophobicContact CB-CD2 4.14Å; K194-Y227 HydrophobicContact CB-CE1 4Å; K194-Y227 HydrophobicContact CB-CE2 3.8Å; K194-Y227 HydrophobicContact CB-CG 4.42Å; K194-Y227 HydrophobicContact CD-CE2 4.34Å; K194-Y227 HydrophobicContact CG-CD2 4.18Å; K194-Y227 HydrophobicContact CG-CE2 3.85Å |
| 195 | L | 79.6 | Confident | 73.1 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -19.3 | -175.9 | -64.8 | -177.1 | 0 | 0 | 0 | 113.5 | S193 D197 T198 A226 L230 | S193-L195 PolarHBondContact O-N 2.87Å; L195-D197 PolarHBondContact O-N 2.83Å; L195-D197 VanDerWaalsContact O-N 3.17Å; L195-T198 HydrophobicContact CD2-CG2 4.15Å; L195-T198 WeakPolarHBondContact O-CB 3.33Å; L195-T198 PolarHBondContact O-N 3.41Å; L195-T198 PolarHBondContact O-OG1 2.81Å; L195-A226 PolarHBondContact N-O 2.9Å; L195-L230 HydrophobicContact CD2-CD2 4.03Å |
| 196 | I | 68.7 | Low | 70.7 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 51% | 0.508 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -29.3 | 176.7 | -64.6 | 165 | 0 | 0 | 0 | 110.9 | K194 T198 | K194-I196 VanDerWaalsContact C-N 3.34Å; K194-I196 HydrophobicContact CG-CB 4.42Å; K194-I196 PolarHBondContact O-N 2.78Å; I196-T198 VanDerWaalsContact C-N 3.27Å; I196-T198 PolarHBondContact O-N 2.93Å |
| 197 | D | 61.9 | Low | 68 | Low | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.6 | -22.7 | 178.1 | -56.9 | -31.1 | 0 | 0 | 0 | 111.3 | V158 K194 L195 V200 F201 | V158-D197 HydrophobicContact CG1-CB 4.48Å; K194-D197 PolarHBondContact O-N 3.41Å; L195-D197 PolarHBondContact O-N 2.83Å; L195-D197 VanDerWaalsContact O-N 3.17Å; D197-V200 WeakPolarHBondContact O-CB 3.41Å; D197-V200 PolarHBondContact O-N 3.25Å; D197-F201 HydrophobicContact CB-CE2 4.35Å; D197-F201 WeakPolarHBondContact O-CD2 3.28Å; D197-F201 WeakPolarHBondContact O-CE2 3.23Å |
| 198 | T | 60.9 | Low | 65.2 | Low | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 178.2 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | L195 I196 V200 F201 E202 L230 I234 | L195-T198 HydrophobicContact CD2-CG2 4.15Å; L195-T198 WeakPolarHBondContact O-CB 3.33Å; L195-T198 PolarHBondContact O-N 3.41Å; L195-T198 PolarHBondContact O-OG1 2.81Å; I196-T198 VanDerWaalsContact C-N 3.27Å; I196-T198 PolarHBondContact O-N 2.93Å; T198-V200 PolarHBondContact O-N 3.21Å; T198-F201 PolarHBondContact O-N 3Å; T198-E202 PolarHBondContact O-N 2.84Å; T198-L230 HydrophobicContact CG2-CD2 3.35Å; T198-I234 HydrophobicContact CG2-CD1 4.11Å; T198-I234 HydrophobicContact CG2-CG2 4.01Å |
| 199 | N | 60.8 | Low | 62 | Low | 97 Ų | 97 | 67.2 Ų | 67.2 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -29.1 | 178.2 | -67 | -7 | 0 | 0 | 0 | 112.1 | F201 E202 Q203 | N199-F201 VanDerWaalsContact C-N 3.28Å; N199-F201 PolarHBondContact O-N 2.92Å; N199-E202 PolarHBondContact O-N 2.99Å; N199-Q203 PolarHBondContact O-N 3.49Å |
| 200 | V | 57.5 | Low | 58.7 | Low | 36 Ų | 36 | 73.1 Ų | 73.1 | 22% | 0.218 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | D197 T198 V204 | D197-V200 WeakPolarHBondContact O-CB 3.41Å; D197-V200 PolarHBondContact O-N 3.25Å; T198-V200 PolarHBondContact O-N 3.21Å; V200-V204 WeakPolarHBondContact O-CG2 3.33Å |
| 201 | F | 53.9 | Low | 55.4 | Low | 21 Ų | 21 | 80.5 Ų | 80.5 | 9% | 0.092 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -78.9 | -32.1 | 179.8 | -58.4 | -62.8 | 0 | 0 | 0 | 112.7 | V158 D197 T198 N199 Q203 V204 E205 I234 V237 L238 | V158-F201 HydrophobicContact CG1-CZ 3.94Å; V158-F201 HydrophobicContact CG2-CZ 4.17Å; D197-F201 HydrophobicContact CB-CE2 4.35Å; D197-F201 WeakPolarHBondContact O-CD2 3.28Å; D197-F201 WeakPolarHBondContact O-CE2 3.23Å; T198-F201 PolarHBondContact O-N 3Å; N199-F201 VanDerWaalsContact C-N 3.28Å; N199-F201 PolarHBondContact O-N 2.92Å; F201-Q203 VanDerWaalsContact C-N 3.32Å; F201-Q203 PolarHBondContact O-N 2.76Å; F201-V204 PolarHBondContact O-N 2.92Å; F201-V204 VanDerWaalsContact O-N 3.15Å; F201-E205 PolarHBondContact O-N 3.12Å; F201-E205 VanDerWaalsContact O-N 3.16Å; F201-I234 HydrophobicContact CB-CG2 4.28Å; F201-I234 HydrophobicContact CD2-CG2 3.78Å; F201-I234 HydrophobicContact CG-CG2 4.32Å; F201-V237 HydrophobicContact CD1-CG1 4.13Å; F201-V237 HydrophobicContact CE1-CG1 4.4Å; F201-L238 HydrophobicContact CE1-CD2 4.26Å; F201-L238 HydrophobicContact CE2-CD1 4.27Å; F201-L238 HydrophobicContact CE2-CD2 3.86Å; F201-L238 HydrophobicContact CE2-CG 4.26Å; F201-L238 HydrophobicContact CZ-CD2 3.51Å; F201-L238 HydrophobicContact CZ-CG 4.36Å |
| 202 | E | 50.9 | Low | 52.1 | Low | 97 Ų | 97 | 85.7 Ų | 85.7 | 45% | 0.453 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 172.1 | -71.5 | -174.2 | 173.1 | 0 | 0 | 111.6 | T198 N199 V204 E205 I206 I234 | T198-E202 PolarHBondContact O-N 2.84Å; N199-E202 PolarHBondContact O-N 2.99Å; E202-V204 VanDerWaalsContact C-N 3.28Å; E202-V204 PolarHBondContact O-N 3.08Å; E202-E205 PolarHBondContact O-N 3.2Å; E202-I206 HydrophobicContact CB-CD1 4.44Å; E202-I206 WeakPolarHBondContact O-CB 3.31Å; E202-I206 WeakPolarHBondContact O-CD1 3.42Å; E202-I206 WeakPolarHBondContact O-CG1 3.43Å; E202-I206 PolarHBondContact O-N 3.11Å; E202-I234 HydrophobicContact CG-CD1 4.47Å |
| 203 | Q | 41.6 | Very low | 48.9 | Very low | 133 Ų | 133 | 90.7 Ų | 90.7 | 62% | 0.621 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -32.6 | 174.7 | -78.7 | 179.7 | -18.3 | 0 | 0 | 113 | N199 F201 I206 D207 | N199-Q203 PolarHBondContact O-N 3.49Å; F201-Q203 VanDerWaalsContact C-N 3.32Å; F201-Q203 PolarHBondContact O-N 2.76Å; Q203-I206 PolarHBondContact O-N 3.2Å; Q203-D207 PolarHBondContact O-N 2.86Å |
| 204 | V | 45 | Very low | 45.7 | Very low | 87 Ų | 87 | 99.7 Ų | 99.7 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.6 | -29.8 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 112.1 | V200 F201 E202 | V200-V204 WeakPolarHBondContact O-CG2 3.33Å; F201-V204 PolarHBondContact O-N 2.92Å; F201-V204 VanDerWaalsContact O-N 3.15Å; E202-V204 VanDerWaalsContact C-N 3.28Å; E202-V204 PolarHBondContact O-N 3.08Å |
| 205 | E | 33.9 | Very low | 42.9 | Very low | 115 Ų | 115 | 104.2 Ų | 104.2 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -80.4 | -33.6 | 170.4 | -94.1 | -175.9 | 159.2 | 0 | 0 | 112.8 | F201 E202 D207 Q208 V209 | F201-E205 PolarHBondContact O-N 3.12Å; F201-E205 VanDerWaalsContact O-N 3.16Å; E202-E205 PolarHBondContact O-N 3.2Å; E205-D207 VanDerWaalsContact C-N 3.29Å; E205-D207 PolarHBondContact O-N 3.48Å; E205-Q208 PolarHBondContact O-N 2.83Å; E205-V209 PolarHBondContact O-N 3.25Å |
| 206 | I | 32 | Very low | 40.2 | Very low | 111 Ų | 111 | 109.5 Ų | 109.5 | 57% | 0.569 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.5 | -33.1 | 177.1 | -67.7 | 162 | 0 | 0 | 0 | 111.2 | E202 Q203 Q208 V209 | E202-I206 HydrophobicContact CB-CD1 4.44Å; E202-I206 WeakPolarHBondContact O-CB 3.31Å; E202-I206 WeakPolarHBondContact O-CD1 3.42Å; E202-I206 WeakPolarHBondContact O-CG1 3.43Å; E202-I206 PolarHBondContact O-N 3.11Å; Q203-I206 PolarHBondContact O-N 3.2Å; I206-Q208 PolarHBondContact O-N 3.07Å; I206-V209 PolarHBondContact O-N 2.83Å |
| 207 | D | 32 | Very low | 38.3 | Very low | 146 Ų | 146 | 112.7 Ų | 112.7 | 78% | 0.781 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -7.6 | 172.6 | -77.8 | -14.8 | 0 | 0 | 0 | 113.6 | Q203 E205 | Q203-D207 PolarHBondContact O-N 2.86Å; E205-D207 VanDerWaalsContact C-N 3.29Å; E205-D207 PolarHBondContact O-N 3.48Å |
| 208 | Q | 34.6 | Very low | 36.7 | Very low | 169 Ų | 169 | 116.9 Ų | 116.9 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -13.2 | 173.8 | -67.2 | -164.6 | 1.8 | 0 | 0 | 114.9 | E205 I206 | E205-Q208 PolarHBondContact O-N 2.83Å; I206-Q208 PolarHBondContact O-N 3.07Å |
| 209 | V | 28.1 | Very low | 34.9 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | trans | -138.7 | 89.2 | 178.1 | -169 | 0 | 0 | 0 | 0 | 112 | E205 I206 K211 | E205-V209 PolarHBondContact O-N 3.25Å; I206-V209 PolarHBondContact O-N 2.83Å; V209-K211 PolarHBondContact O-N 2.96Å | ||
| 210 | T | 26.4 | Very low | 33.3 | Very low | 131 Ų | 131 | 128 Ų | 128 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -55.3 | 124 | 157.7 | 5.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 211 | K | 26.6 | Very low | 31.9 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | 121.2 | 102.5 | 152.7 | -69.5 | -178.6 | 178.4 | 179.2 | 0 | 115.8 | V209 | V209-K211 PolarHBondContact O-N 2.96Š| ||
| 212 | S | 25 | Very low | 30.8 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 55.9 | 104.1 | 135.8 | 62.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 213 | S | 28.3 | Very low | 30.2 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | -173.2 | 116.1 | 125.8 | 47.9 | 0 | 0 | 0 | 0 | 109.8 | L215 | S213-L215 PolarHBondContact O-N 2.86Å; S213-L215 VanDerWaalsContact O-N 3.17Å | |||
| 214 | E | 25.3 | Very low | 30.4 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -60.4 | 108.3 | 173.2 | -66 | 171.4 | 159.2 | 0 | 0 | 109.9 | N216 | E214-N216 PolarHBondContact O-N 3.01Š| ||
| 215 | L | 27.6 | Very low | 30.9 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -85 | 110.7 | 171.2 | -83.4 | 160.7 | 0 | 0 | 0 | 108.8 | S213 L217 | S213-L215 PolarHBondContact O-N 2.86Å; S213-L215 VanDerWaalsContact O-N 3.17Å; L215-L217 PolarHBondContact O-N 2.83Å; L215-L217 VanDerWaalsContact O-N 3.11Å | ||
| 216 | N | 23.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -57.7 | 109 | 177.4 | -77.8 | -55.3 | 0 | 0 | 0 | 111.4 | E214 S218 | E214-N216 PolarHBondContact O-N 3.01Å; N216-S218 PolarHBondContact O-N 3.29Å | ||
| 217 | L | 29.1 | Very low | 35.3 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -62.9 | 111 | 164.7 | -83.1 | 147.7 | 0 | 0 | 0 | 109 | L215 Q219 | L215-L217 PolarHBondContact O-N 2.83Å; L215-L217 VanDerWaalsContact O-N 3.11Å; L217-Q219 PolarHBondContact O-N 2.95Å; L217-Q219 VanDerWaalsContact O-N 3.11Å | ||
| 218 | S | 27.2 | Very low | 38.1 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -58.8 | 113.4 | 168.7 | 53 | 0 | 0 | 0 | 0 | 109.5 | N216 N220 | N216-S218 PolarHBondContact O-N 3.29Å; S218-N220 PolarHBondContact O-N 3.25Å; S218-N220 VanDerWaalsContact O-N 3.1Å | ||
| 219 | Q | 24.3 | Very low | 40.8 | Very low | 189 Ų | 189 | 117.8 Ų | 117.8 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | trans | -58 | 106.3 | 171.2 | -72.4 | 175.8 | -22.8 | 0 | 0 | 110 | L217 | L217-Q219 PolarHBondContact O-N 2.95Å; L217-Q219 VanDerWaalsContact O-N 3.11Å | ||
| 220 | N | 27.4 | Very low | 43.8 | Very low | 154 Ų | 154 | 112.9 Ų | 112.9 | 82% | 0.824 | 64% | 0.639 | S | S | * | * | trans | -147.7 | 121.1 | 157.4 | -96.5 | -23.2 | 0 | 0 | 0 | 110 | S218 | S218-N220 PolarHBondContact O-N 3.25Å; S218-N220 VanDerWaalsContact O-N 3.1Å | ||
| 221 | C | 27 | Very low | 47 | Very low | 116 Ų | 116 | 109.4 Ų | 109.4 | 78% | 0.784 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 68.7 | 115.5 | 166.9 | -68.7 | 0 | 0 | 0 | 0 | 120 | ||
| 222 | H | 30.7 | Very low | 50.1 | Low | 187 Ų | 187 | 102.9 Ų | 102.9 | 87% | 0.866 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -15.8 | 135.9 | 160.2 | -61.6 | -76.4 | 0 | 0 | 0 | 118.8 | ||
| 223 | S | 38.6 | Very low | 53.2 | Low | 108 Ų | 108 | 101.4 Ų | 101.4 | 76% | 0.755 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 67.2 | 128.4 | -176.9 | 76.6 | 0 | 0 | 0 | 0 | 113 | A225 | S223-A225 PolarHBondContact O-N 3.17Š|
| 224 | S | 45.4 | Very low | 56.2 | Low | 117 Ų | 117 | 96.6 Ų | 96.6 | 82% | 0.818 | 54% | 0.54 | S | S | * | . | trans | -53.1 | 105.8 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 108.6 | A226 | S224-A226 PolarHBondContact O-N 2.68Š| ||
| 225 | A | 55.6 | Low | 59.5 | Low | 52 Ų | 52 | 87.5 Ų | 87.5 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | trans | -56.4 | 110.4 | -179 | 0 | 0 | 0 | 0 | 0 | 107.7 | S223 Y227 | S223-A225 PolarHBondContact O-N 3.17Å; A225-Y227 PolarHBondContact O-N 3.44Å | ||
| 226 | A | 75.2 | Confident | 62.7 | Low | 26 Ų | 26 | 81.3 Ų | 81.3 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -67.5 | -22.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111 | K194 L195 S224 | K194-A226 CarbonylContact C-O 3.58Å; K194-A226 WeakPolarHBondContact CA-O 3.3Å; K194-A226 VanDerWaalsContact CG-O 3.28Å; K194-A226 WeakPolarHBondContact CG-O 3.48Å; L195-A226 PolarHBondContact N-O 2.9Å; S224-A226 PolarHBondContact O-N 2.68Å |
| 227 | Y | 84.3 | Confident | 66 | Low | 11 Ų | 11 | 76.2 Ų | 76.2 | 4% | 0.043 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.8 | 177.2 | -82.7 | -109.4 | 0 | 0 | 0 | 110.8 | F109 L139 S140 W164 S193 K194 A225 | F109-Y227 HydrophobicContact CE1-CE1 4.1Å; F109-Y227 HydrophobicContact CE1-CE2 4.02Å; F109-Y227 AromaticContact CE1-CZ 3.71Å; F109-Y227 HydrophobicContact CZ-CE2 4.39Å; L139-Y227 HydrophobicContact CD2-CD1 4.38Å; L139-Y227 HydrophobicContact CD2-CD2 3.43Å; L139-Y227 VanDerWaalsContact CD2-CD2 3.43Å; L139-Y227 HydrophobicContact CD2-CE2 4.17Å; L139-Y227 HydrophobicContact CD2-CG 3.54Å; L139-Y227 HydrophobicContact CG-CD2 4.37Å; L139-Y227 HydrophobicContact CG-CG 4.41Å; S140-Y227 PolarHBondContact OG-O 3.38Å; W164-Y227 HydrophobicContact CH2-CD1 4.28Å; W164-Y227 AromaticContact CH2-CE1 3.49Å; W164-Y227 HydrophobicContact CH2-CE1 3.49Å; W164-Y227 VanDerWaalsContact CH2-CE1 3.49Å; W164-Y227 AromaticContact CZ2-CE1 3.73Å; W164-Y227 HydrophobicContact CZ2-CE1 3.73Å; W164-Y227 AromaticContact CZ2-CZ 3.99Å; W164-Y227 HydrophobicContact CZ3-CE1 4.16Å; S193-Y227 VanDerWaalsContact C-CD1 3.42Å; S193-Y227 VanDerWaalsContact O-CA 3.3Å; S193-Y227 WeakPolarHBondContact O-CA 3.36Å; K194-Y227 HydrophobicContact CB-CD1 4.35Å; K194-Y227 HydrophobicContact CB-CD2 4.14Å; K194-Y227 HydrophobicContact CB-CE1 4Å; K194-Y227 HydrophobicContact CB-CE2 3.8Å; K194-Y227 HydrophobicContact CB-CG 4.42Å; K194-Y227 HydrophobicContact CD-CE2 4.34Å; K194-Y227 HydrophobicContact CG-CD2 4.18Å; K194-Y227 HydrophobicContact CG-CE2 3.85Å; A225-Y227 PolarHBondContact O-N 3.44Å |
| 228 | G | 88.9 | Confident | 69 | Low | 6 Ų | 6 | 68.7 Ų | 68.7 | 6% | 0.062 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | -173.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F192 S193 L230 | F192-G228 VanDerWaalsContact CA-O 3.28Å; F192-G228 WeakPolarHBondContact CA-O 3.42Å; S193-G228 PolarHBondContact N-O 2.79Å; S193-G228 PolarHBondContact O-N 2.92Å; G228-L230 PolarHBondContact O-N 2.8Å |
| 229 | E | 92 | Very high | 72.3 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 36% | 0.36 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127 | 174.8 | -173.5 | 173.9 | 161.6 | 0 | 0 | 110.1 | K190 I191 F192 | K190-E229 WeakPolarHBondContact CD-OE1 3.28Å; K190-E229 WeakPolarHBondContact CE-OE1 3.25Å; K190-E229 IonicContact NZ-OE1 2.8Å; K190-E229 PolarHBondContact NZ-OE1 2.83Å; K190-E229 IonicContact NZ-OE2 3.53Å; K190-E229 PolarHBondContact NZ-OE2 2.83Å; I191-E229 WeakPolarHBondContact O-CA 3.31Å; F192-E229 HydrophobicContact CD1-CB 3.93Å; F192-E229 HydrophobicContact CE1-CB 3.65Å; F192-E229 HydrophobicContact CE1-CG 4.16Å; F192-E229 HydrophobicContact CZ-CB 4.35Å; F192-E229 HydrophobicContact CZ-CG 4.39Å |
| 230 | L | 91.9 | Very high | 75.8 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 129.8 | 172 | -62.7 | -171 | 0 | 0 | 0 | 109.5 | I191 L195 T198 G228 F232 A235 L238 | I191-L230 HydrophobicContact CB-CB 4.39Å; I191-L230 HydrophobicContact CB-CD1 4.43Å; I191-L230 HydrophobicContact CG2-CD1 3.77Å; I191-L230 HydrophobicContact CG2-CG 4.26Å; I191-L230 PolarHBondContact O-N 2.86Å; L195-L230 HydrophobicContact CD2-CD2 4.03Å; T198-L230 HydrophobicContact CG2-CD2 3.35Å; G228-L230 PolarHBondContact O-N 2.8Å; L230-F232 PolarHBondContact O-N 3.03Å; L230-A235 HydrophobicContact CB-CB 4.18Å; L230-L238 HydrophobicContact CD1-CD1 3.91Å |
| 231 | P | 92 | Very high | 79.1 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 138.2 | 165.8 | -25.5 | 35 | 0 | 0 | 0 | 110.4 | N233 I234 A235 | P231-N233 VanDerWaalsContact C-N 3.25Å; P231-N233 WeakPolarHBondContact CB-OD1 3.16Å; P231-N233 PolarHBondContact O-N 2.89Å; P231-I234 HydrophobicContact CB-CD1 4.36Å; P231-I234 HydrophobicContact CB-CG1 4.29Å; P231-I234 HydrophobicContact CG-CD1 4.11Å; P231-I234 WeakPolarHBondContact O-CA 3.24Å; P231-I234 PolarHBondContact O-N 2.96Å; P231-A235 PolarHBondContact O-N 2.83Å |
| 232 | F | 92.1 | Very high | 82.4 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -37 | -172.3 | -174.8 | -104.9 | 0 | 0 | 0 | 113.4 | Q186 P187 L230 I234 A235 V236 L242 | Q186-F232 HydrophobicContact CB-CD2 4.27Å; Q186-F232 HydrophobicContact CB-CE2 4.31Å; Q186-F232 HydrophobicContact CB-CG 4.4Å; Q186-F232 HydrophobicContact CB-CZ 4.45Å; Q186-F232 VanDerWaalsContact CD-CB 3.4Å; Q186-F232 VanDerWaalsContact CD-CG 3.46Å; Q186-F232 HydrophobicContact CG-CB 4.23Å; Q186-F232 HydrophobicContact CG-CD1 3.65Å; Q186-F232 HydrophobicContact CG-CD2 4.09Å; Q186-F232 HydrophobicContact CG-CE1 3.95Å; Q186-F232 HydrophobicContact CG-CE2 4.38Å; Q186-F232 HydrophobicContact CG-CG 3.71Å; Q186-F232 HydrophobicContact CG-CZ 4.31Å; P187-F232 HydrophobicContact CG-CE2 3.91Å; P187-F232 HydrophobicContact CG-CZ 4.23Å; L230-F232 PolarHBondContact O-N 3.03Å; F232-I234 PolarHBondContact O-N 2.67Å; F232-A235 PolarHBondContact O-N 2.83Å; F232-V236 HydrophobicContact CD1-CG1 4.02Å; F232-V236 HydrophobicContact CD2-CG1 4.38Å; F232-V236 HydrophobicContact CE1-CG1 3.59Å; F232-V236 HydrophobicContact CE2-CG1 3.96Å; F232-V236 HydrophobicContact CG-CG1 4.41Å; F232-V236 HydrophobicContact CZ-CG1 3.55Å; F232-V236 WeakPolarHBondContact O-CG1 3.21Å; F232-V236 WeakPolarHBondContact O-CG2 3.29Å; F232-V236 PolarHBondContact O-N 3.16Å; F232-L242 HydrophobicContact CE2-CB 4.14Å; F232-L242 HydrophobicContact CZ-CB 4.4Å |
| 233 | N | 91.3 | Very high | 85.5 | Confident | 81 Ų | 81 | 37.3 Ų | 37.3 | 43% | 0.433 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -31.8 | 175.2 | 60.6 | -54.7 | 0 | 0 | 0 | 112.7 | P231 V236 V237 | P231-N233 VanDerWaalsContact C-N 3.25Å; P231-N233 WeakPolarHBondContact CB-OD1 3.16Å; P231-N233 PolarHBondContact O-N 2.89Å; N233-V236 WeakPolarHBondContact O-CG2 3.46Å; N233-V237 WeakPolarHBondContact O-CG2 3.41Å |
| 234 | I | 91.5 | Very high | 88.2 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -83.8 | -40.1 | 175.5 | -54.4 | -176.1 | 0 | 0 | 0 | 110.4 | T198 F201 E202 P231 F232 V236 V237 L238 | T198-I234 HydrophobicContact CG2-CD1 4.11Å; T198-I234 HydrophobicContact CG2-CG2 4.01Å; F201-I234 HydrophobicContact CB-CG2 4.28Å; F201-I234 HydrophobicContact CD2-CG2 3.78Å; F201-I234 HydrophobicContact CG-CG2 4.32Å; E202-I234 HydrophobicContact CG-CD1 4.47Å; P231-I234 HydrophobicContact CB-CD1 4.36Å; P231-I234 HydrophobicContact CB-CG1 4.29Å; P231-I234 HydrophobicContact CG-CD1 4.11Å; P231-I234 WeakPolarHBondContact O-CA 3.24Å; P231-I234 PolarHBondContact O-N 2.96Å; F232-I234 PolarHBondContact O-N 2.67Å; I234-V236 VanDerWaalsContact C-N 3.29Å; I234-V236 PolarHBondContact O-N 3.2Å; I234-V237 WeakPolarHBondContact O-CB 3.43Å; I234-V237 PolarHBondContact O-N 3.43Å; I234-L238 PolarHBondContact O-N 3.45Å |
| 235 | A | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.1 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I191 L230 P231 F232 V237 L238 F239 L242 | I191-A235 HydrophobicContact CB-CB 4.16Å; I191-A235 HydrophobicContact CG1-CB 3.9Å; L230-A235 HydrophobicContact CB-CB 4.18Å; P231-A235 PolarHBondContact O-N 2.83Å; F232-A235 PolarHBondContact O-N 2.83Å; A235-V237 VanDerWaalsContact C-N 3.25Å; A235-V237 PolarHBondContact O-N 3.17Å; A235-L238 PolarHBondContact O-N 3.33Å; A235-F239 WeakPolarHBondContact O-CA 3.46Å; A235-F239 WeakPolarHBondContact O-CB 3.39Å; A235-F239 PolarHBondContact O-N 3.48Å; A235-L242 HydrophobicContact CB-CD1 3.96Å |
| 236 | V | 94.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.9 | -21.2 | 178.3 | -62.9 | 0 | 0 | 0 | 0 | 113.9 | F232 N233 I234 F239 P240 L242 T243 | F232-V236 HydrophobicContact CD1-CG1 4.02Å; F232-V236 HydrophobicContact CD2-CG1 4.38Å; F232-V236 HydrophobicContact CE1-CG1 3.59Å; F232-V236 HydrophobicContact CE2-CG1 3.96Å; F232-V236 HydrophobicContact CG-CG1 4.41Å; F232-V236 HydrophobicContact CZ-CG1 3.55Å; F232-V236 WeakPolarHBondContact O-CG1 3.21Å; F232-V236 WeakPolarHBondContact O-CG2 3.29Å; F232-V236 PolarHBondContact O-N 3.16Å; N233-V236 WeakPolarHBondContact O-CG2 3.46Å; I234-V236 VanDerWaalsContact C-N 3.29Å; I234-V236 PolarHBondContact O-N 3.2Å; V236-F239 CarbonylContact O-C 3.47Å; V236-P240 WeakPolarHBondContact O-CA 3.39Å; V236-P240 VanDerWaalsContact O-N 3.17Å; V236-L242 HydrophobicContact CG1-CB 4.06Å; V236-T243 HydrophobicContact CB-CG2 3.66Å; V236-T243 HydrophobicContact CG1-CG2 3.58Å; V236-T243 HydrophobicContact CG2-CG2 4.42Å |
| 237 | V | 92.9 | Very high | 93.4 | Very high | 52 Ų | 52 | 32.5 Ų | 32.5 | 32% | 0.315 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.5 | -38.4 | 174.4 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | F201 N233 I234 A235 | F201-V237 HydrophobicContact CD1-CG1 4.13Å; F201-V237 HydrophobicContact CE1-CG1 4.4Å; N233-V237 WeakPolarHBondContact O-CG2 3.41Å; I234-V237 WeakPolarHBondContact O-CB 3.43Å; I234-V237 PolarHBondContact O-N 3.43Å; A235-V237 VanDerWaalsContact C-N 3.25Å; A235-V237 PolarHBondContact O-N 3.17Å |
| 238 | L | 92.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -82.8 | -33.8 | 177.4 | -64 | 178.7 | 0 | 0 | 0 | 112.4 | V158 F201 L230 I234 A235 R263 | V158-L238 HydrophobicContact CG2-CD2 3.88Å; F201-L238 HydrophobicContact CE1-CD2 4.26Å; F201-L238 HydrophobicContact CE2-CD1 4.27Å; F201-L238 HydrophobicContact CE2-CD2 3.86Å; F201-L238 HydrophobicContact CE2-CG 4.26Å; F201-L238 HydrophobicContact CZ-CD2 3.51Å; F201-L238 HydrophobicContact CZ-CG 4.36Å; L230-L238 HydrophobicContact CD1-CD1 3.91Å; I234-L238 PolarHBondContact O-N 3.45Å; A235-L238 PolarHBondContact O-N 3.33Å; L238-R263 PolarHBondContact O-NH2 3.2Å |
| 239 | F | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -130.3 | 70.7 | -173.1 | -53.7 | -79 | 0 | 0 | 0 | 110 | A154 C156 A165 F167 I191 A235 V236 E241 L242 R263 | A154-F239 HydrophobicContact CB-CE1 4.09Å; C156-F239 HydrophobicContact CB-CE1 3.87Å; C156-F239 HydrophobicContact CB-CZ 3.79Å; A165-F239 HydrophobicContact CB-CE2 3.75Å; A165-F239 HydrophobicContact CB-CZ 3.69Å; F167-F239 AromaticContact CE2-CD1 3.8Å; F167-F239 HydrophobicContact CE2-CD1 3.8Å; F167-F239 HydrophobicContact CE2-CD2 4.28Å; F167-F239 AromaticContact CE2-CE1 3.63Å; F167-F239 HydrophobicContact CE2-CE1 3.63Å; F167-F239 HydrophobicContact CE2-CE2 4.14Å; F167-F239 HydrophobicContact CE2-CG 4.14Å; F167-F239 AromaticContact CE2-CZ 3.82Å; F167-F239 HydrophobicContact CE2-CZ 3.82Å; F167-F239 HydrophobicContact CZ-CB 4.05Å; F167-F239 AromaticContact CZ-CD1 3.4Å; F167-F239 HydrophobicContact CZ-CD1 3.4Å; F167-F239 HydrophobicContact CZ-CD2 4Å; F167-F239 AromaticContact CZ-CE1 3.76Å; F167-F239 HydrophobicContact CZ-CE1 3.76Å; F167-F239 HydrophobicContact CZ-CE2 4.32Å; F167-F239 AromaticContact CZ-CG 3.54Å; F167-F239 HydrophobicContact CZ-CG 3.54Å; F167-F239 HydrophobicContact CZ-CZ 4.22Å; I191-F239 HydrophobicContact CG2-CD2 4.16Å; I191-F239 HydrophobicContact CG2-CE2 3.91Å; A235-F239 WeakPolarHBondContact O-CA 3.46Å; A235-F239 WeakPolarHBondContact O-CB 3.39Å; A235-F239 PolarHBondContact O-N 3.48Å; V236-F239 CarbonylContact O-C 3.47Å; F239-E241 WeakPolarHBondContact CA-OE2 3.39Å; F239-E241 PolarHBondContact O-N 3.19Å; F239-E241 VanDerWaalsContact O-N 3.11Å; F239-L242 HydrophobicContact CB-CD1 3.81Å; F239-L242 HydrophobicContact CB-CG 4.01Å; F239-L242 WeakPolarHBondContact O-CB 3.33Å; F239-L242 WeakPolarHBondContact O-CG 3.45Å; F239-L242 PolarHBondContact O-N 2.89Å; F239-L242 VanDerWaalsContact O-N 3.07Å; F239-R263 VanDerWaalsContact CD1-NH2 3.28Å; F239-R263 VanDerWaalsContact CE1-NH1 3.34Å | ||
| 240 | P | 96.5 | Very high | 94 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 10% | 0.097 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -60 | -24 | -176.2 | 27.9 | -39 | 0 | 0 | 0 | 113.2 | V236 L242 T243 V279 I286 | V236-P240 WeakPolarHBondContact O-CA 3.39Å; V236-P240 VanDerWaalsContact O-N 3.17Å; P240-L242 PolarHBondContact O-N 3.35Å; P240-L242 VanDerWaalsContact O-N 3.16Å; P240-T243 WeakPolarHBondContact O-CB 2.99Å; P240-T243 PolarHBondContact O-N 2.98Å; P240-T243 PolarHBondContact O-OG1 3.05Å; P240-V279 HydrophobicContact CG-CG1 3.56Å; P240-V279 HydrophobicContact CG-CG2 4.42Å; P240-I286 HydrophobicContact CB-CG1 4.09Å; P240-I286 HydrophobicContact CG-CG1 4.19Å |
| 241 | E | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -54.5 | -29.5 | 174.1 | 58.9 | -93.3 | -125.4 | 0 | 0 | 113.3 | F239 T243 K244 R263 S265 F267 F277 V279 | F239-E241 WeakPolarHBondContact CA-OE2 3.39Å; F239-E241 PolarHBondContact O-N 3.19Å; F239-E241 VanDerWaalsContact O-N 3.11Å; E241-T243 PolarHBondContact O-N 3.12Å; E241-T243 VanDerWaalsContact O-N 3.17Å; E241-K244 PolarHBondContact O-N 2.91Å; E241-R263 IonicContact OE1-CZ 3.91Å; E241-R263 IonicContact OE1-NE 3.1Å; E241-R263 PolarHBondContact OE1-NE 3.05Å; E241-R263 IonicContact OE1-NH2 2.91Å; E241-R263 PolarHBondContact OE1-NH2 2.82Å; E241-R263 VanDerWaalsContact OE1-NH2 3.1Å; E241-R263 IonicContact OE2-CZ 2.83Å; E241-R263 IonicContact OE2-NH2 3.37Å; E241-R263 PolarHBondContact OE2-NH2 3.48Å; E241-S265 PolarHBondContact OE1-OG 3.02Å; E241-F267 HydrophobicContact CG-CE2 4.3Å; E241-F267 HydrophobicContact CG-CZ 4.38Å; E241-F277 HydrophobicContact CB-CB 3.84Å; E241-F277 HydrophobicContact CB-CD1 3.92Å; E241-F277 HydrophobicContact CB-CD2 4.25Å; E241-F277 HydrophobicContact CB-CG 3.72Å; E241-V279 HydrophobicContact CB-CG2 4.15Å |
| 242 | L | 97.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -59.4 | -28 | 176.7 | -65.6 | 174.8 | 0 | 0 | 0 | 112.8 | F167 V189 I191 F232 A235 V236 F239 P240 K244 L245 | F167-L242 HydrophobicContact CE1-CD2 4.1Å; V189-L242 HydrophobicContact CB-CD2 4.5Å; V189-L242 HydrophobicContact CG1-CD2 4.28Å; I191-L242 HydrophobicContact CD1-CD1 4.09Å; I191-L242 HydrophobicContact CD1-CD2 4.4Å; I191-L242 HydrophobicContact CG1-CD1 3.75Å; F232-L242 HydrophobicContact CE2-CB 4.14Å; F232-L242 HydrophobicContact CZ-CB 4.4Å; A235-L242 HydrophobicContact CB-CD1 3.96Å; V236-L242 HydrophobicContact CG1-CB 4.06Å; F239-L242 HydrophobicContact CB-CD1 3.81Å; F239-L242 HydrophobicContact CB-CG 4.01Å; F239-L242 WeakPolarHBondContact O-CB 3.33Å; F239-L242 WeakPolarHBondContact O-CG 3.45Å; F239-L242 PolarHBondContact O-N 2.89Å; F239-L242 VanDerWaalsContact O-N 3.07Å; P240-L242 PolarHBondContact O-N 3.35Å; P240-L242 VanDerWaalsContact O-N 3.16Å; L242-K244 PolarHBondContact O-N 3.33Å; L242-L245 HydrophobicContact CD2-CD1 3.82Å; L242-L245 PolarHBondContact O-N 2.74Å |
| 243 | T | 95.2 | Very high | 94.6 | Very high | 78 Ų | 78 | 31.8 Ų | 31.8 | 48% | 0.479 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -71.1 | -16.3 | 179.1 | 65.5 | 0 | 0 | 0 | 0 | 113.7 | V236 P240 E241 | V236-T243 HydrophobicContact CB-CG2 3.66Å; V236-T243 HydrophobicContact CG1-CG2 3.58Å; V236-T243 HydrophobicContact CG2-CG2 4.42Å; P240-T243 WeakPolarHBondContact O-CB 2.99Å; P240-T243 PolarHBondContact O-N 2.98Å; P240-T243 PolarHBondContact O-OG1 3.05Å; E241-T243 PolarHBondContact O-N 3.12Å; E241-T243 VanDerWaalsContact O-N 3.17Å |
| 244 | K | 96 | Very high | 94.9 | Very high | 115 Ų | 115 | 28 Ų | 28 | 50% | 0.5 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -108.1 | -2.2 | -177.5 | -62.6 | -57.7 | -177.3 | -175.6 | 0 | 112.9 | E241 L242 F277 I286 | E241-K244 PolarHBondContact O-N 2.91Å; L242-K244 PolarHBondContact O-N 3.33Å; K244-F277 HydrophobicContact CB-CD1 4.42Å; K244-F277 HydrophobicContact CB-CE1 3.52Å; K244-F277 HydrophobicContact CB-CZ 4.19Å; K244-F277 HydrophobicContact CG-CE1 4.38Å; K244-I286 HydrophobicContact CB-CD1 4.31Å; K244-I286 HydrophobicContact CG-CD1 3.44Å; K244-I286 VanDerWaalsContact CG-CD1 3.44Å |
| 245 | L | 96.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -73.4 | 137.1 | 175.1 | -66.1 | -177.1 | 0 | 0 | 0 | 110.7 | P187 V189 L242 T247 F251 F267 W273 F277 | P187-L245 HydrophobicContact CB-CB 3.88Å; P187-L245 HydrophobicContact CB-CD1 4.3Å; P187-L245 HydrophobicContact CG-CB 4.18Å; P187-L245 HydrophobicContact CG-CD1 4.36Å; V189-L245 HydrophobicContact CG2-CD1 4.42Å; L242-L245 HydrophobicContact CD2-CD1 3.82Å; L242-L245 PolarHBondContact O-N 2.74Å; L245-T247 PolarHBondContact O-N 3.46Å; L245-F251 HydrophobicContact CB-CE2 4.39Å; L245-F251 HydrophobicContact CB-CZ 3.98Å; L245-F251 HydrophobicContact CD1-CE2 4.38Å; L245-F251 HydrophobicContact CD1-CZ 4.35Å; L245-F251 HydrophobicContact CD2-CE1 4.34Å; L245-F251 HydrophobicContact CD2-CZ 4.17Å; L245-F251 HydrophobicContact CG-CZ 4.4Å; L245-F267 HydrophobicContact CD1-CD1 3.94Å; L245-F267 HydrophobicContact CD1-CE1 3.71Å; L245-F267 HydrophobicContact CD1-CE2 4.39Å; L245-F267 HydrophobicContact CD1-CG 4.41Å; L245-F267 HydrophobicContact CD1-CZ 3.95Å; L245-F267 HydrophobicContact CD2-CB 4.23Å; L245-F267 HydrophobicContact CD2-CD1 4.13Å; L245-F267 HydrophobicContact CD2-CD2 3.68Å; L245-F267 HydrophobicContact CD2-CE1 4.45Å; L245-F267 HydrophobicContact CD2-CE2 4Å; L245-F267 HydrophobicContact CD2-CG 3.75Å; L245-F267 HydrophobicContact CD2-CZ 4.38Å; L245-W273 HydrophobicContact CD2-CH2 4.07Å; L245-W273 HydrophobicContact CD2-CZ3 4.38Å; L245-F277 HydrophobicContact CD2-CE2 3.69Å; L245-F277 HydrophobicContact CD2-CZ 3.86Å |
| 246 | P | 95.2 | Very high | 95.4 | Very high | 33 Ų | 33 | 30.2 Ų | 30.2 | 21% | 0.214 | 17% | 0.166 | C | C | . | . | trans | -57.7 | 130.6 | 170 | -27.1 | 36.6 | 0 | 0 | 0 | 111.7 | L249 W273 | P246-L249 HydrophobicContact CB-CB 4.14Å; P246-L249 HydrophobicContact CB-CD1 3.49Å; P246-L249 VanDerWaalsContact CB-CD1 3.49Å; P246-L249 HydrophobicContact CB-CG 3.58Å; P246-L249 HydrophobicContact CG-CD1 3.72Å; P246-L249 HydrophobicContact CG-CG 4.37Å; P246-W273 HydrophobicContact CG-CD2 4.07Å; P246-W273 HydrophobicContact CG-CH2 4.31Å; P246-W273 HydrophobicContact CG-CZ2 3.82Å | ||
| 247 | T | 93 | Very high | 95.4 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 29% | 0.288 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -20.2 | -175.7 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | S184 L245 | S184-T247 VanDerWaalsContact O-CB 3.32Å; S184-T247 WeakPolarHBondContact O-CB 3.41Å; S184-T247 PolarHBondContact O-OG1 3.29Å; S184-T247 VanDerWaalsContact O-OG1 3.13Å; S184-T247 PolarHBondContact OG-O 2.8Å; L245-T247 PolarHBondContact O-N 3.46Å |
| 248 | T | 89.8 | Confident | 95.4 | Very high | 87 Ų | 87 | 32.4 Ų | 32.4 | 53% | 0.534 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -5.6 | -180 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 249 | L | 93.5 | Very high | 95.3 | Very high | 24 Ų | 24 | 32.6 Ų | 32.6 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -100.2 | 148.9 | -172.6 | -57.3 | -172.5 | 0 | 0 | 0 | 112 | P246 F251 D271 W273 | P246-L249 HydrophobicContact CB-CB 4.14Å; P246-L249 HydrophobicContact CB-CD1 3.49Å; P246-L249 VanDerWaalsContact CB-CD1 3.49Å; P246-L249 HydrophobicContact CB-CG 3.58Å; P246-L249 HydrophobicContact CG-CD1 3.72Å; P246-L249 HydrophobicContact CG-CG 4.37Å; L249-F251 HydrophobicContact CB-CZ 4.47Å; L249-D271 WeakPolarHBondContact CD2-OD2 3.13Å; L249-W273 HydrophobicContact CD1-CB 3.67Å; L249-W273 HydrophobicContact CD1-CD2 4.19Å; L249-W273 HydrophobicContact CD1-CG 3.81Å |
| 250 | I | 94.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -98.9 | 123.2 | 174.5 | -48.8 | -163.9 | 0 | 0 | 0 | 108.3 | L149 S269 Q270 | L149-I250 HydrophobicContact CD1-CG2 3.23Å; I250-S269 CarbonylContact O-C 3.45Å; I250-S269 WeakPolarHBondContact O-CA 3.44Å; I250-S269 VanDerWaalsContact O-CB 3.25Å; I250-S269 WeakPolarHBondContact O-CB 3.45Å; I250-Q270 HydrophobicContact CB-CB 4.34Å; I250-Q270 PolarHBondContact O-N 2.88Å |
| 251 | F | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.1 | 179.9 | -60.3 | -78.1 | 0 | 0 | 0 | 111.1 | S169 P187 V189 L245 L249 F267 G268 W273 | S169-F251 WeakPolarHBondContact CB-O 3.23Å; S169-F251 PolarHBondContact OG-O 2.92Å; P187-F251 HydrophobicContact CB-CE2 4.1Å; V189-F251 HydrophobicContact CG2-CD2 3.57Å; V189-F251 HydrophobicContact CG2-CE2 4.15Å; V189-F251 HydrophobicContact CG2-CG 4.28Å; L245-F251 HydrophobicContact CB-CE2 4.39Å; L245-F251 HydrophobicContact CB-CZ 3.98Å; L245-F251 HydrophobicContact CD1-CE2 4.38Å; L245-F251 HydrophobicContact CD1-CZ 4.35Å; L245-F251 HydrophobicContact CD2-CE1 4.34Å; L245-F251 HydrophobicContact CD2-CZ 4.17Å; L245-F251 HydrophobicContact CG-CZ 4.4Å; L249-F251 HydrophobicContact CB-CZ 4.47Å; F251-F267 HydrophobicContact CD1-CB 3.86Å; F251-F267 HydrophobicContact CD1-CD1 4.45Å; F251-F267 HydrophobicContact CE1-CB 4.04Å; F251-G268 CarbonylContact C-O 3.59Å; F251-G268 WeakPolarHBondContact CA-O 3.21Å; F251-W273 AromaticContact CE1-CE3 3.87Å; F251-W273 HydrophobicContact CE1-CE3 3.87Å; F251-W273 AromaticContact CE1-CZ3 3.61Å; F251-W273 HydrophobicContact CE1-CZ3 3.61Å; F251-W273 HydrophobicContact CZ-CZ3 4.43Å |
| 252 | L | 95.7 | Very high | 94.2 | Very high | 45 Ų | 45 | 39.8 Ų | 39.8 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -30.5 | -178.2 | -62.4 | -175.3 | 0 | 0 | 0 | 112.8 | L149 H150 P173 G268 Q270 P297 I298 | L149-L252 HydrophobicContact CD1-CD2 4.46Å; H150-L252 WeakPolarHBondContact CB-O 3.49Å; P173-L252 HydrophobicContact CB-CD2 4.39Å; L252-G268 PolarHBondContact N-O 3.47Å; L252-Q270 HydrophobicContact CD1-CB 4.03Å; L252-Q270 HydrophobicContact CD1-CG 4.38Å; L252-Q270 HydrophobicContact CD2-CB 4.28Å; L252-Q270 HydrophobicContact CG-CB 4.05Å; L252-P297 HydrophobicContact CD1-CB 3.94Å; L252-I298 WeakPolarHBondContact CB-O 3.3Å |
| 253 | H | 96.7 | Very high | 94.1 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 11% | 0.111 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 143.4 | 178.5 | -164.6 | -90.6 | 0 | 0 | 0 | 111.4 | H150 G268 I301 | H150-H253 AromaticContact CE1-CD2 3.45Å; H150-H253 PolarHBondContact CE1-CD2 2.98Å; H150-H253 VanDerWaalsContact CE1-CD2 3.45Å; H150-H253 AromaticContact CE1-NE2 3.55Å; H150-H253 AromaticContact ND1-CD2 3.94Å; H150-H253 AromaticContact NE2-CD2 3.71Å; H150-H253 AromaticContact NE2-NE2 3.77Å; H253-G268 PolarHBondContact N-O 3.15Å; H253-G268 PolarHBondContact O-N 2.9Å; H253-I301 HydrophobicContact CB-CG2 4.25Å; H253-I301 PolarHBondContact CE1-O 2.83Å; H253-I301 PolarHBondContact ND1-N 2.98Å; H253-I301 VanDerWaalsContact ND1-N 3.2Å; H253-I301 PolarHBondContact ND1-O 2.78Å; H253-I301 VanDerWaalsContact ND1-O 3.11Å |
| 254 | M | 98 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.2 | 179.3 | -57.4 | 175.6 | -73.9 | 0 | 0 | 109.5 | H150 T152 F167 V189 F256 A266 F267 | H150-M254 HydrophobicContact CB-CE 4.43Å; H150-M254 PolarHBondContact CD2-N 2.84Å; H150-M254 PolarHBondContact NE2-N 2.96Å; H150-M254 PolarHBondContact NE2-O 3Å; H150-M254 VanDerWaalsContact NE2-O 3.12Å; H150-M254 WeakPolarHBondContact O-CE 3.46Å; T152-M254 HydrophobicContact CG2-CB 3.94Å; T152-M254 HydrophobicContact CG2-CE 4.32Å; F167-M254 HydrophobicContact CB-CE 4.09Å; F167-M254 HydrophobicContact CB-SD 4.33Å; F167-M254 HydrophobicContact CD1-SD 4.49Å; V189-M254 HydrophobicContact CG1-SD 4.07Å; V189-M254 HydrophobicContact CG2-SD 4.23Å; M254-F256 HydrophobicContact CB-CE2 4.06Å; M254-A266 WeakPolarHBondContact CA-O 3.39Å; M254-F267 HydrophobicContact CB-CD1 4.45Å; M254-F267 HydrophobicContact CG-CD1 3.7Å; M254-F267 HydrophobicContact CG-CE1 4.07Å; M254-F267 HydrophobicContact SD-CD1 3.98Å; M254-F267 HydrophobicContact SD-CE1 3.85Å |
| 255 | D | 98 | Very high | 94.3 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.5 | 179.9 | -160.8 | 61.5 | 0 | 0 | 0 | 110.4 | A266 I301 K302 I303 | D255-A266 PolarHBondContact N-O 3.18Å; D255-A266 PolarHBondContact O-N 3.21Å; D255-I301 VanDerWaalsContact CB-O 3.28Å; D255-I301 WeakPolarHBondContact CB-O 3.27Å; D255-K302 WeakPolarHBondContact OD1-CD 3.42Å; D255-K302 IonicContact OD1-NZ 3.94Å; D255-K302 PolarHBondContact OD1-NZ 3.49Å; D255-K302 WeakPolarHBondContact OD2-CA 3.31Å; D255-I303 WeakPolarHBondContact O-CD1 3.17Å; D255-I303 PolarHBondContact OD2-N 2.94Å |
| 256 | F | 97.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 30.4 Ų | 30.4 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.2 | -176.3 | -63.3 | -88.7 | 0 | 0 | 0 | 109.8 | T152 A154 F167 M254 F264 S265 F267 | T152-F256 HydrophobicContact CG2-CD2 3.69Å; T152-F256 HydrophobicContact CG2-CE2 3.48Å; T152-F256 VanDerWaalsContact CG2-CE2 3.48Å; A154-F256 HydrophobicContact CB-CB 4Å; A154-F256 HydrophobicContact CB-CD1 3.54Å; A154-F256 HydrophobicContact CB-CD2 3.88Å; A154-F256 HydrophobicContact CB-CE1 3.91Å; A154-F256 HydrophobicContact CB-CE2 4.25Å; A154-F256 HydrophobicContact CB-CG 3.52Å; A154-F256 HydrophobicContact CB-CZ 4.27Å; F167-F256 HydrophobicContact CB-CE2 4.17Å; F167-F256 HydrophobicContact CB-CZ 4.46Å; F167-F256 HydrophobicContact CD1-CE1 4.31Å; F167-F256 AromaticContact CD1-CE2 3.95Å; F167-F256 HydrophobicContact CD1-CE2 3.95Å; F167-F256 AromaticContact CD1-CZ 3.39Å; F167-F256 HydrophobicContact CD1-CZ 3.39Å; F167-F256 HydrophobicContact CD2-CE2 4.3Å; F167-F256 HydrophobicContact CD2-CZ 4.19Å; F167-F256 AromaticContact CE1-CE1 3.96Å; F167-F256 HydrophobicContact CE1-CE1 3.96Å; F167-F256 HydrophobicContact CE1-CE2 4.4Å; F167-F256 AromaticContact CE1-CZ 3.48Å; F167-F256 HydrophobicContact CE1-CZ 3.48Å; F167-F256 VanDerWaalsContact CE1-CZ 3.48Å; F167-F256 HydrophobicContact CE2-CZ 4.29Å; F167-F256 AromaticContact CG-CE2 3.88Å; F167-F256 HydrophobicContact CG-CE2 3.88Å; F167-F256 AromaticContact CG-CZ 3.76Å; F167-F256 HydrophobicContact CG-CZ 3.76Å; F167-F256 HydrophobicContact CZ-CE1 4.1Å; F167-F256 AromaticContact CZ-CZ 3.94Å; F167-F256 HydrophobicContact CZ-CZ 3.94Å; M254-F256 HydrophobicContact CB-CE2 4.06Å; F256-F264 VanDerWaalsContact CA-O 3.32Å; F256-F264 WeakPolarHBondContact CA-O 3.45Å; F256-S265 WeakPolarHBondContact CD1-OG 3.26Å; F256-S265 VanDerWaalsContact CE1-CB 3.48Å; F256-S265 WeakPolarHBondContact CE1-OG 2.91Å; F256-F267 HydrophobicContact CE1-CZ 4.11Å; F256-F267 HydrophobicContact CZ-CE1 4.19Å; F256-F267 AromaticContact CZ-CZ 3.86Å; F256-F267 HydrophobicContact CZ-CZ 3.86Å |
| 257 | K | 94.7 | Very high | 94.5 | Very high | 59 Ų | 59 | 28.9 Ų | 28.9 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 133.2 | 177 | -172.2 | 166.6 | -173.4 | 165.7 | 0 | 110.3 | I259 F264 I303 | K257-I259 HydrophobicContact CD-CD1 4.48Å; K257-I259 HydrophobicContact CG-CG1 4.3Å; K257-F264 PolarHBondContact N-O 2.95Å; K257-F264 PolarHBondContact O-N 2.99Å; K257-I303 HydrophobicContact CB-CB 4.1Å; K257-I303 HydrophobicContact CB-CD1 4.46Å; K257-I303 HydrophobicContact CB-CG2 4Å; K257-I303 HydrophobicContact CD-CG2 4.23Å; K257-I303 WeakPolarHBondContact CD-O 3.1Å |
| 258 | I | 92.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 36% | 0.359 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.2 | 174.3 | -67.1 | 169.5 | 0 | 0 | 0 | 109.5 | H155 I262 R263 M281 | H155-I258 HydrophobicContact CB-CD1 3.41Å; H155-I258 VanDerWaalsContact CB-CD1 3.41Å; I258-I262 WeakPolarHBondContact CA-O 3.42Å; I258-R263 HydrophobicContact CG1-CB 4.2Å; I258-R263 HydrophobicContact CG1-CG 4.35Å; I258-M281 HydrophobicContact CD1-CE 3.5Å; I258-M281 VanDerWaalsContact CD1-CE 3.5Å; I258-M281 HydrophobicContact CD1-SD 3.59Å; I258-M281 VanDerWaalsContact CD1-SD 3.59Å; I258-M281 HydrophobicContact CG1-CE 4.39Å; I258-M281 HydrophobicContact CG1-SD 3.86Å; I258-M281 HydrophobicContact CG2-SD 3.95Å |
| 259 | I | 90.1 | Very high | 95.1 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 6% | 0.062 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 119.8 | 170.9 | -53.3 | 160.3 | 0 | 0 | 0 | 106.8 | K257 N261 I262 F264 Q305 K329 V331 | K257-I259 HydrophobicContact CD-CD1 4.48Å; K257-I259 HydrophobicContact CG-CG1 4.3Å; I259-N261 PolarHBondContact O-N 2.78Å; I259-I262 PolarHBondContact N-O 3.28Å; I259-I262 WeakPolarHBondContact O-CB 3.46Å; I259-I262 PolarHBondContact O-N 3.08Å; I259-F264 HydrophobicContact CB-CD2 4.49Å; I259-F264 HydrophobicContact CB-CE2 3.97Å; I259-F264 HydrophobicContact CD1-CD2 3.96Å; I259-F264 HydrophobicContact CD1-CE2 3.76Å; I259-F264 HydrophobicContact CG1-CD2 4.31Å; I259-F264 HydrophobicContact CG1-CE2 4.16Å; I259-Q305 VanDerWaalsContact CD1-CD 3.46Å; I259-Q305 HydrophobicContact CD1-CG 3.66Å; I259-K329 HydrophobicContact CG2-CD 4.14Å; I259-V331 HydrophobicContact CD1-CG2 4.03Å |
| 260 | N | 85.1 | Confident | 95.1 | Very high | 83 Ų | 83 | 24 Ų | 24 | 44% | 0.444 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 52.4 | 176 | -65 | 10.6 | 0 | 0 | 0 | 114 | I262 I326 K329 | N260-I262 PolarHBondContact O-N 3.11Å; N260-I262 VanDerWaalsContact O-N 3.09Å; N260-I326 HydrophobicContact CB-CD1 4.39Å; N260-I326 HydrophobicContact CB-CG2 3.86Å; N260-K329 PolarHBondContact ND2-NZ 2.85Å; N260-K329 PolarHBondContact OD1-NZ 3.02Å |
| 261 | N | 87.9 | Confident | 95.1 | Very high | 81 Ų | 81 | 27.4 Ų | 27.4 | 43% | 0.433 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 7.4 | -176.8 | -55 | -39.8 | 0 | 0 | 0 | 116 | I259 M281 | I259-N261 PolarHBondContact O-N 2.78Å; N261-M281 WeakPolarHBondContact O-CB 3.45Å; N261-M281 VanDerWaalsContact O-CG 3.27Å; N261-M281 WeakPolarHBondContact O-CG 3.24Å; N261-M281 PolarHBondContact O-N 2.97Å; N261-M281 VanDerWaalsContact O-N 3.12Å |
| 262 | I | 93.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122 | 168.8 | -60.4 | 179.1 | 0 | 0 | 0 | 107.4 | I258 I259 N260 F264 V279 I287 I326 L327 | I258-I262 WeakPolarHBondContact CA-O 3.42Å; I259-I262 PolarHBondContact N-O 3.28Å; I259-I262 WeakPolarHBondContact O-CB 3.46Å; I259-I262 PolarHBondContact O-N 3.08Å; N260-I262 PolarHBondContact O-N 3.11Å; N260-I262 VanDerWaalsContact O-N 3.09Å; I262-F264 HydrophobicContact CB-CE2 4.09Å; I262-F264 HydrophobicContact CB-CZ 4.38Å; I262-F264 HydrophobicContact CG2-CD2 4.26Å; I262-F264 HydrophobicContact CG2-CE1 4.22Å; I262-F264 HydrophobicContact CG2-CE2 3.7Å; I262-F264 HydrophobicContact CG2-CZ 3.7Å; I262-V279 CarbonylContact C-O 3.58Å; I262-V279 WeakPolarHBondContact CA-O 3.22Å; I262-I287 HydrophobicContact CD1-CD1 3.86Å; I262-I287 HydrophobicContact CG1-CD1 4.06Å; I262-I287 HydrophobicContact CG2-CD1 4.2Å; I262-I326 HydrophobicContact CD1-CB 4.16Å; I262-I326 HydrophobicContact CD1-CG2 3.63Å; I262-I326 HydrophobicContact CG1-CG2 4.47Å; I262-L327 HydrophobicContact CD1-CD2 4.21Å; I262-L327 HydrophobicContact CD1-CG 4.32Å |
| 263 | R | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.3 | 170 | -179 | 175.3 | 64.3 | -127.5 | -3.8 | 109 | H155 L238 F239 E241 I258 V279 M281 | H155-R263 WeakPolarHBondContact O-CD 3.46Å; H155-R263 PolarHBondContact O-NH1 2.86Å; L238-R263 PolarHBondContact O-NH2 3.2Å; F239-R263 VanDerWaalsContact CD1-NH2 3.28Å; F239-R263 VanDerWaalsContact CE1-NH1 3.34Å; E241-R263 IonicContact OE1-CZ 3.91Å; E241-R263 IonicContact OE1-NE 3.1Å; E241-R263 PolarHBondContact OE1-NE 3.05Å; E241-R263 IonicContact OE1-NH2 2.91Å; E241-R263 PolarHBondContact OE1-NH2 2.82Å; E241-R263 VanDerWaalsContact OE1-NH2 3.1Å; E241-R263 IonicContact OE2-CZ 2.83Å; E241-R263 IonicContact OE2-NH2 3.37Å; E241-R263 PolarHBondContact OE2-NH2 3.48Å; I258-R263 HydrophobicContact CG1-CB 4.2Å; I258-R263 HydrophobicContact CG1-CG 4.35Å; R263-V279 PolarHBondContact N-O 2.78Å; R263-V279 PolarHBondContact O-N 3.29Å; R263-M281 HydrophobicContact CB-CG 3.87Å; R263-M281 HydrophobicContact CB-SD 4.16Å |
| 264 | F | 97.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.8 | 166.2 | -62.2 | -87.2 | 0 | 0 | 0 | 108.7 | F256 K257 I259 I262 L276 F277 I303 L327 V331 F349 | F256-F264 VanDerWaalsContact CA-O 3.32Å; F256-F264 WeakPolarHBondContact CA-O 3.45Å; K257-F264 PolarHBondContact N-O 2.95Å; K257-F264 PolarHBondContact O-N 2.99Å; I259-F264 HydrophobicContact CB-CD2 4.49Å; I259-F264 HydrophobicContact CB-CE2 3.97Å; I259-F264 HydrophobicContact CD1-CD2 3.96Å; I259-F264 HydrophobicContact CD1-CE2 3.76Å; I259-F264 HydrophobicContact CG1-CD2 4.31Å; I259-F264 HydrophobicContact CG1-CE2 4.16Å; I262-F264 HydrophobicContact CB-CE2 4.09Å; I262-F264 HydrophobicContact CB-CZ 4.38Å; I262-F264 HydrophobicContact CG2-CD2 4.26Å; I262-F264 HydrophobicContact CG2-CE1 4.22Å; I262-F264 HydrophobicContact CG2-CE2 3.7Å; I262-F264 HydrophobicContact CG2-CZ 3.7Å; F264-L276 HydrophobicContact CB-CD1 4.37Å; F264-F277 CarbonylContact C-O 3.58Å; F264-F277 VanDerWaalsContact CA-O 3.24Å; F264-F277 WeakPolarHBondContact CA-O 3.28Å; F264-I303 HydrophobicContact CB-CD1 3.8Å; F264-I303 HydrophobicContact CB-CG2 4.01Å; F264-I303 WeakPolarHBondContact O-CD1 3.48Å; F264-L327 HydrophobicContact CE1-CD2 4.24Å; F264-L327 HydrophobicContact CZ-CD2 4.21Å; F264-V331 HydrophobicContact CD1-CG1 4.11Å; F264-V331 HydrophobicContact CE1-CG1 4.22Å; F264-V331 HydrophobicContact CE1-CG2 4.05Å; F264-V331 HydrophobicContact CE2-CG2 4.31Å; F264-V331 HydrophobicContact CG-CG1 4.5Å; F264-V331 HydrophobicContact CZ-CG2 3.85Å; F264-F349 AromaticContact CD1-CE2 3.7Å; F264-F349 HydrophobicContact CD1-CE2 3.7Å; F264-F349 AromaticContact CD1-CZ 3.69Å; F264-F349 HydrophobicContact CD1-CZ 3.69Å; F264-F349 HydrophobicContact CE1-CD2 4.12Å; F264-F349 HydrophobicContact CE1-CE1 4.27Å; F264-F349 AromaticContact CE1-CE2 3.33Å; F264-F349 HydrophobicContact CE1-CE2 3.33Å; F264-F349 AromaticContact CE1-CZ 3.44Å; F264-F349 HydrophobicContact CE1-CZ 3.44Å; F264-F349 VanDerWaalsContact CE1-CZ 3.44Å; F264-F349 HydrophobicContact CZ-CE2 4.48Å |
| 265 | S | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.3 | -176.9 | -50.4 | 0 | 0 | 0 | 0 | 108.3 | E241 F256 L276 F277 | E241-S265 PolarHBondContact OE1-OG 3.02Å; F256-S265 WeakPolarHBondContact CD1-OG 3.26Å; F256-S265 VanDerWaalsContact CE1-CB 3.48Å; F256-S265 WeakPolarHBondContact CE1-OG 2.91Å; S265-L276 WeakPolarHBondContact O-CA 3.28Å; S265-F277 PolarHBondContact N-O 3.48Å; S265-F277 WeakPolarHBondContact O-CD2 3Å; S265-F277 PolarHBondContact O-N 3.33Å |
| 266 | A | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M254 D255 G275 L276 I301 I303 | M254-A266 WeakPolarHBondContact CA-O 3.39Å; D255-A266 PolarHBondContact N-O 3.18Å; D255-A266 PolarHBondContact O-N 3.21Å; A266-G275 VanDerWaalsContact CA-O 3.28Å; A266-G275 WeakPolarHBondContact CA-O 3.21Å; A266-L276 HydrophobicContact CB-CD1 4.09Å; A266-I301 HydrophobicContact CB-CD1 3.85Å; A266-I301 HydrophobicContact CB-CG1 3.95Å; A266-I301 HydrophobicContact CB-CG2 4.35Å; A266-I303 HydrophobicContact CB-CD1 3.6Å; A266-I303 HydrophobicContact CB-CG1 3.59Å |
| 267 | F | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.2 | -176.7 | -61.3 | -95.7 | 0 | 0 | 0 | 108.7 | E241 L245 F251 M254 F256 W273 F274 G275 F277 | E241-F267 HydrophobicContact CG-CE2 4.3Å; E241-F267 HydrophobicContact CG-CZ 4.38Å; L245-F267 HydrophobicContact CD1-CD1 3.94Å; L245-F267 HydrophobicContact CD1-CE1 3.71Å; L245-F267 HydrophobicContact CD1-CE2 4.39Å; L245-F267 HydrophobicContact CD1-CG 4.41Å; L245-F267 HydrophobicContact CD1-CZ 3.95Å; L245-F267 HydrophobicContact CD2-CB 4.23Å; L245-F267 HydrophobicContact CD2-CD1 4.13Å; L245-F267 HydrophobicContact CD2-CD2 3.68Å; L245-F267 HydrophobicContact CD2-CE1 4.45Å; L245-F267 HydrophobicContact CD2-CE2 4Å; L245-F267 HydrophobicContact CD2-CG 3.75Å; L245-F267 HydrophobicContact CD2-CZ 4.38Å; F251-F267 HydrophobicContact CD1-CB 3.86Å; F251-F267 HydrophobicContact CD1-CD1 4.45Å; F251-F267 HydrophobicContact CE1-CB 4.04Å; M254-F267 HydrophobicContact CB-CD1 4.45Å; M254-F267 HydrophobicContact CG-CD1 3.7Å; M254-F267 HydrophobicContact CG-CE1 4.07Å; M254-F267 HydrophobicContact SD-CD1 3.98Å; M254-F267 HydrophobicContact SD-CE1 3.85Å; F256-F267 HydrophobicContact CE1-CZ 4.11Å; F256-F267 HydrophobicContact CZ-CE1 4.19Å; F256-F267 AromaticContact CZ-CZ 3.86Å; F256-F267 HydrophobicContact CZ-CZ 3.86Å; F267-W273 HydrophobicContact CB-CZ3 4.08Å; F267-F274 CarbonylContact O-C 3.52Å; F267-F274 WeakPolarHBondContact O-CA 3.34Å; F267-F274 VanDerWaalsContact O-CB 3.26Å; F267-F274 WeakPolarHBondContact O-CB 3.18Å; F267-G275 PolarHBondContact N-O 2.94Å; F267-G275 PolarHBondContact O-N 3.45Å; F267-F277 AromaticContact CD2-CD2 3.85Å; F267-F277 HydrophobicContact CD2-CD2 3.85Å; F267-F277 AromaticContact CD2-CE2 3.77Å; F267-F277 HydrophobicContact CD2-CE2 3.77Å; F267-F277 AromaticContact CE2-CD2 3.91Å; F267-F277 HydrophobicContact CE2-CD2 3.91Å; F267-F277 HydrophobicContact CE2-CE2 4.13Å |
| 268 | G | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F251 L252 H253 | F251-G268 CarbonylContact C-O 3.59Å; F251-G268 WeakPolarHBondContact CA-O 3.21Å; L252-G268 PolarHBondContact N-O 3.47Å; H253-G268 PolarHBondContact N-O 3.15Å; H253-G268 PolarHBondContact O-N 2.9Å |
| 269 | S | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 170.3 | -175.5 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | I250 D271 G272 W273 I298 | I250-S269 CarbonylContact O-C 3.45Å; I250-S269 WeakPolarHBondContact O-CA 3.44Å; I250-S269 VanDerWaalsContact O-CB 3.25Å; I250-S269 WeakPolarHBondContact O-CB 3.45Å; S269-D271 WeakPolarHBondContact CB-OD1 3.22Å; S269-D271 PolarHBondContact OG-OD1 3.17Å; S269-G272 PolarHBondContact O-N 3.34Å; S269-W273 PolarHBondContact N-O 3.18Å; S269-W273 WeakPolarHBondContact OG-CA 3.39Å; S269-W273 VanDerWaalsContact OG-CB 3.24Å; S269-W273 WeakPolarHBondContact OG-CB 3.22Å; S269-W273 PolarHBondContact OG-N 3Å; S269-W273 PolarHBondContact OG-O 2.85Å; S269-I298 PolarHBondContact O-N 2.66Å |
| 270 | Q | 94.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 16.8 Ų | 16.8 | 26% | 0.257 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -30.8 | 177.8 | -176.5 | -170.2 | -14.3 | 0 | 0 | 114 | P173 I250 L252 G272 P297 | P173-Q270 HydrophobicContact CB-CG 4.46Å; P173-Q270 PolarHBondContact O-NE2 3.45Å; I250-Q270 HydrophobicContact CB-CB 4.34Å; I250-Q270 PolarHBondContact O-N 2.88Å; L252-Q270 HydrophobicContact CD1-CB 4.03Å; L252-Q270 HydrophobicContact CD1-CG 4.38Å; L252-Q270 HydrophobicContact CD2-CB 4.28Å; L252-Q270 HydrophobicContact CG-CB 4.05Å; Q270-G272 VanDerWaalsContact C-N 3.26Å; Q270-G272 PolarHBondContact O-N 2.94Å; Q270-P297 WeakPolarHBondContact O-CA 3.39Å; Q270-P297 VanDerWaalsContact O-CB 3.25Å; Q270-P297 WeakPolarHBondContact O-CB 3.27Å; Q270-P297 WeakPolarHBondContact O-CG 3.46Å |
| 271 | D | 93.6 | Very high | 96 | Very high | 82 Ų | 82 | 13.2 Ų | 13.2 | 44% | 0.439 | 7% | 0.067 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 10.2 | -179.2 | 68.5 | -35.7 | 0 | 0 | 0 | 113.1 | L249 S269 W273 | L249-D271 WeakPolarHBondContact CD2-OD2 3.13Å; S269-D271 WeakPolarHBondContact CB-OD1 3.22Å; S269-D271 PolarHBondContact OG-OD1 3.17Å; D271-W273 VanDerWaalsContact C-N 3.33Å |
| 272 | G | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | 86.6 | -3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S269 Q270 F274 S293 H294 S296 | S269-G272 PolarHBondContact O-N 3.34Å; Q270-G272 VanDerWaalsContact C-N 3.26Å; Q270-G272 PolarHBondContact O-N 2.94Å; G272-F274 WeakPolarHBondContact O-CD1 3.12Å; G272-S293 CarbonylContact O-C 3.59Å; G272-S293 WeakPolarHBondContact O-CA 3.47Å; G272-H294 PolarHBondContact O-N 2.63Å; G272-S296 WeakPolarHBondContact CA-O 3.48Å |
| 273 | W | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 18.1 Ų | 18.1 | 8% | 0.083 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 139.4 | 170.9 | -176.2 | 98.6 | 0 | 0 | 0 | 111.1 | L245 P246 L249 F251 F267 S269 D271 F277 H291 | L245-W273 HydrophobicContact CD2-CH2 4.07Å; L245-W273 HydrophobicContact CD2-CZ3 4.38Å; P246-W273 HydrophobicContact CG-CD2 4.07Å; P246-W273 HydrophobicContact CG-CH2 4.31Å; P246-W273 HydrophobicContact CG-CZ2 3.82Å; L249-W273 HydrophobicContact CD1-CB 3.67Å; L249-W273 HydrophobicContact CD1-CD2 4.19Å; L249-W273 HydrophobicContact CD1-CG 3.81Å; F251-W273 AromaticContact CE1-CE3 3.87Å; F251-W273 HydrophobicContact CE1-CE3 3.87Å; F251-W273 AromaticContact CE1-CZ3 3.61Å; F251-W273 HydrophobicContact CE1-CZ3 3.61Å; F251-W273 HydrophobicContact CZ-CZ3 4.43Å; F267-W273 HydrophobicContact CB-CZ3 4.08Å; S269-W273 PolarHBondContact N-O 3.18Å; S269-W273 WeakPolarHBondContact OG-CA 3.39Å; S269-W273 VanDerWaalsContact OG-CB 3.24Å; S269-W273 WeakPolarHBondContact OG-CB 3.22Å; S269-W273 PolarHBondContact OG-N 3Å; S269-W273 PolarHBondContact OG-O 2.85Å; D271-W273 VanDerWaalsContact C-N 3.33Å; W273-F277 HydrophobicContact CH2-CE2 4.31Å; W273-F277 HydrophobicContact CH2-CZ 4.28Å; W273-H291 HydrophobicContact CZ2-CB 3.65Å; W273-H291 AromaticContact NE1-CD2 3.63Å; W273-H291 AromaticContact NE1-CG 3.86Å |
| 274 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 152.9 | 167.1 | 57.5 | -82.5 | 0 | 0 | 0 | 111.5 | F267 G272 H291 L292 H294 I298 I301 V335 Y345 F354 | F267-F274 CarbonylContact O-C 3.52Å; F267-F274 WeakPolarHBondContact O-CA 3.34Å; F267-F274 VanDerWaalsContact O-CB 3.26Å; F267-F274 WeakPolarHBondContact O-CB 3.18Å; G272-F274 WeakPolarHBondContact O-CD1 3.12Å; F274-H291 WeakPolarHBondContact O-CA 3.03Å; F274-H291 WeakPolarHBondContact O-CB 3.29Å; F274-L292 WeakPolarHBondContact CD1-O 3.06Å; F274-L292 HydrophobicContact CE1-CB 4.13Å; F274-L292 HydrophobicContact CE1-CG 4.39Å; F274-L292 HydrophobicContact CE2-CB 3.99Å; F274-L292 HydrophobicContact CZ-CB 3.63Å; F274-L292 HydrophobicContact CZ-CD2 4.01Å; F274-L292 HydrophobicContact CZ-CG 3.99Å; F274-L292 PolarHBondContact N-O 2.96Å; F274-L292 PolarHBondContact O-N 2.82Å; F274-L292 VanDerWaalsContact O-O 3.13Å; F274-H294 AromaticContact CE1-CD2 3.42Å; F274-H294 VanDerWaalsContact CE1-CD2 3.42Å; F274-H294 WeakPolarHBondContact CE1-CD2 3.37Å; F274-H294 AromaticContact CE1-CG 3.83Å; F274-H294 AromaticContact CE1-NE2 3.63Å; F274-H294 AromaticContact CZ-CD2 3.94Å; F274-H294 AromaticContact CZ-NE2 3.76Å; F274-I298 HydrophobicContact CB-CG1 4.33Å; F274-I298 HydrophobicContact CD1-CD1 3.97Å; F274-I298 HydrophobicContact CD1-CG1 4.22Å; F274-I301 HydrophobicContact CB-CD1 3.88Å; F274-I301 HydrophobicContact CD2-CD1 4.47Å; F274-V335 HydrophobicContact CD1-CG1 4.03Å; F274-V335 HydrophobicContact CD2-CG2 3.92Å; F274-V335 HydrophobicContact CE1-CG1 4.11Å; F274-V335 HydrophobicContact CE2-CG2 3.87Å; F274-V335 HydrophobicContact CG-CG1 4.29Å; F274-V335 HydrophobicContact CG-CG2 4.36Å; F274-V335 HydrophobicContact CZ-CG1 4.39Å; F274-V335 HydrophobicContact CZ-CG2 4.28Å; F274-Y345 HydrophobicContact CE2-CD2 4.13Å; F274-Y345 AromaticContact CE2-CE2 3.69Å; F274-Y345 HydrophobicContact CE2-CE2 3.69Å; F274-Y345 HydrophobicContact CZ-CD2 4.37Å; F274-Y345 AromaticContact CZ-CE2 3.49Å; F274-Y345 HydrophobicContact CZ-CE2 3.49Å; F274-Y345 VanDerWaalsContact CZ-CE2 3.49Å; F274-Y345 AromaticContact CZ-CZ 3.88Å; F274-F354 HydrophobicContact CD2-CD2 4.44Å; F274-F354 HydrophobicContact CD2-CE1 4.18Å; F274-F354 AromaticContact CD2-CE2 3.98Å; F274-F354 HydrophobicContact CD2-CE2 3.98Å; F274-F354 AromaticContact CD2-CZ 3.82Å; F274-F354 HydrophobicContact CD2-CZ 3.82Å; F274-F354 AromaticContact CE2-CD1 3.82Å; F274-F354 HydrophobicContact CE2-CD1 3.82Å; F274-F354 AromaticContact CE2-CD2 3.97Å; F274-F354 HydrophobicContact CE2-CD2 3.97Å; F274-F354 AromaticContact CE2-CE1 3.77Å; F274-F354 HydrophobicContact CE2-CE1 3.77Å; F274-F354 AromaticContact CE2-CE2 3.93Å; F274-F354 HydrophobicContact CE2-CE2 3.93Å; F274-F354 AromaticContact CE2-CG 3.9Å; F274-F354 HydrophobicContact CE2-CG 3.9Å; F274-F354 AromaticContact CE2-CZ 3.82Å; F274-F354 HydrophobicContact CE2-CZ 3.82Å |
| 275 | G | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 146.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A266 F267 F290 | A266-G275 VanDerWaalsContact CA-O 3.28Å; A266-G275 WeakPolarHBondContact CA-O 3.21Å; F267-G275 PolarHBondContact N-O 2.94Å; F267-G275 PolarHBondContact O-N 3.45Å; G275-F290 CarbonylContact C-O 3.57Å; G275-F290 VanDerWaalsContact CA-O 3.28Å; G275-F290 WeakPolarHBondContact CA-O 3.45Å |
| 276 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.1 | 171.2 | 179.3 | 67.7 | 0 | 0 | 0 | 109.2 | F264 S265 A266 H289 F290 I303 I348 F349 F354 | F264-L276 HydrophobicContact CB-CD1 4.37Å; S265-L276 WeakPolarHBondContact O-CA 3.28Å; A266-L276 HydrophobicContact CB-CD1 4.09Å; L276-H289 CarbonylContact O-C 3.6Å; L276-H289 VanDerWaalsContact O-CA 3.26Å; L276-H289 WeakPolarHBondContact O-CA 3.15Å; L276-F290 PolarHBondContact N-O 3.21Å; L276-F290 PolarHBondContact O-N 3.34Å; L276-I303 HydrophobicContact CD1-CD1 3.94Å; L276-I303 HydrophobicContact CD1-CG1 3.87Å; L276-I348 HydrophobicContact CD2-CB 4.31Å; L276-I348 HydrophobicContact CD2-CD1 3.56Å; L276-I348 HydrophobicContact CD2-CG2 4.12Å; L276-F349 HydrophobicContact CD2-CE2 3.72Å; L276-F349 HydrophobicContact CD2-CZ 3.93Å; L276-F349 HydrophobicContact CG-CE2 4.48Å; L276-F349 HydrophobicContact CG-CZ 4.24Å; L276-F354 HydrophobicContact CB-CE2 4.22Å; L276-F354 HydrophobicContact CB-CZ 3.63Å |
| 277 | F | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.5 | 180 | -57.8 | -94.1 | 0 | 0 | 0 | 109 | E241 K244 L245 F264 S265 F267 W273 V279 I286 H289 | E241-F277 HydrophobicContact CB-CB 3.84Å; E241-F277 HydrophobicContact CB-CD1 3.92Å; E241-F277 HydrophobicContact CB-CD2 4.25Å; E241-F277 HydrophobicContact CB-CG 3.72Å; K244-F277 HydrophobicContact CB-CD1 4.42Å; K244-F277 HydrophobicContact CB-CE1 3.52Å; K244-F277 HydrophobicContact CB-CZ 4.19Å; K244-F277 HydrophobicContact CG-CE1 4.38Å; L245-F277 HydrophobicContact CD2-CE2 3.69Å; L245-F277 HydrophobicContact CD2-CZ 3.86Å; F264-F277 CarbonylContact C-O 3.58Å; F264-F277 VanDerWaalsContact CA-O 3.24Å; F264-F277 WeakPolarHBondContact CA-O 3.28Å; S265-F277 PolarHBondContact N-O 3.48Å; S265-F277 WeakPolarHBondContact O-CD2 3Å; S265-F277 PolarHBondContact O-N 3.33Å; F267-F277 AromaticContact CD2-CD2 3.85Å; F267-F277 HydrophobicContact CD2-CD2 3.85Å; F267-F277 AromaticContact CD2-CE2 3.77Å; F267-F277 HydrophobicContact CD2-CE2 3.77Å; F267-F277 AromaticContact CE2-CD2 3.91Å; F267-F277 HydrophobicContact CE2-CD2 3.91Å; F267-F277 HydrophobicContact CE2-CE2 4.13Å; W273-F277 HydrophobicContact CH2-CE2 4.31Å; W273-F277 HydrophobicContact CH2-CZ 4.28Å; F277-V279 HydrophobicContact CB-CG2 4.41Å; F277-I286 HydrophobicContact CD1-CD1 4.42Å; F277-H289 HydrophobicContact CB-CB 4.49Å; F277-H289 HydrophobicContact CD1-CB 3.28Å; F277-H289 HydrophobicContact CE1-CB 3.58Å; F277-H289 AromaticContact CE1-CG 3.95Å; F277-H289 HydrophobicContact CG-CB 4.08Å |
| 278 | S | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.4 | 163.4 | 62.3 | 0 | 0 | 0 | 0 | 109.4 | I286 I287 R288 F349 | S278-I286 CarbonylContact O-C 3.53Å; S278-I287 PolarHBondContact O-N 3.05Å; S278-R288 PolarHBondContact N-O 3.41Å; S278-R288 PolarHBondContact OG-N 2.83Å; S278-R288 PolarHBondContact OG-O 2.7Å; S278-F349 WeakPolarHBondContact OG-CE1 3.09Å |
| 279 | V | 95.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125 | -174 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | P240 E241 I262 R263 F277 M281 R285 I286 | P240-V279 HydrophobicContact CG-CG1 3.56Å; P240-V279 HydrophobicContact CG-CG2 4.42Å; E241-V279 HydrophobicContact CB-CG2 4.15Å; I262-V279 CarbonylContact C-O 3.58Å; I262-V279 WeakPolarHBondContact CA-O 3.22Å; R263-V279 PolarHBondContact N-O 2.78Å; R263-V279 PolarHBondContact O-N 3.29Å; F277-V279 HydrophobicContact CB-CG2 4.41Å; V279-M281 PolarHBondContact O-N 2.89Å; V279-R285 WeakPolarHBondContact CA-O 3.1Å; V279-I286 HydrophobicContact CG2-CG1 4.24Å |
| 280 | D | 93.7 | Very high | 95.2 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 10% | 0.096 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 115.4 | 169.3 | 178.9 | -14.1 | 0 | 0 | 0 | 108.4 | K282 S283 R284 R285 I287 | D280-K282 VanDerWaalsContact C-N 3.29Å; D280-K282 PolarHBondContact O-N 3.19Å; D280-K282 WeakPolarHBondContact OD1-CB 3.45Å; D280-K282 PolarHBondContact OD1-N 3.06Å; D280-S283 VanDerWaalsContact CB-OG 3.26Å; D280-S283 WeakPolarHBondContact CB-OG 3.18Å; D280-S283 PolarHBondContact OD1-N 3.14Å; D280-S283 VanDerWaalsContact OD1-N 3.16Å; D280-S283 WeakPolarHBondContact OD2-CB 3.38Å; D280-S283 PolarHBondContact OD2-OG 3.33Å; D280-R284 WeakPolarHBondContact O-CA 3.07Å; D280-R284 PolarHBondContact O-N 2.83Å; D280-R285 PolarHBondContact N-O 2.64Å; D280-R285 PolarHBondContact O-N 3.3Å; D280-I287 HydrophobicContact CB-CD1 3.88Å; D280-I287 HydrophobicContact CB-CG1 3.9Å |
| 281 | M | 91.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.034 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.8 | -177.3 | -64.2 | 172.4 | 74.9 | 0 | 0 | 112.7 | H155 L157 I258 N261 R263 V279 | H155-M281 HydrophobicContact CB-CE 4.37Å; L157-M281 HydrophobicContact CD1-CB 3.79Å; L157-M281 HydrophobicContact CG-CB 4Å; L157-M281 HydrophobicContact CG-CE 4.15Å; I258-M281 HydrophobicContact CD1-CE 3.5Å; I258-M281 VanDerWaalsContact CD1-CE 3.5Å; I258-M281 HydrophobicContact CD1-SD 3.59Å; I258-M281 VanDerWaalsContact CD1-SD 3.59Å; I258-M281 HydrophobicContact CG1-CE 4.39Å; I258-M281 HydrophobicContact CG1-SD 3.86Å; I258-M281 HydrophobicContact CG2-SD 3.95Å; N261-M281 WeakPolarHBondContact O-CB 3.45Å; N261-M281 VanDerWaalsContact O-CG 3.27Å; N261-M281 WeakPolarHBondContact O-CG 3.24Å; N261-M281 PolarHBondContact O-N 2.97Å; N261-M281 VanDerWaalsContact O-N 3.12Å; R263-M281 HydrophobicContact CB-CG 3.87Å; R263-M281 HydrophobicContact CB-SD 4.16Å; V279-M281 PolarHBondContact O-N 2.89Å |
| 282 | K | 91.6 | Very high | 95.5 | Very high | 131 Ų | 131 | 47.2 Ų | 47.2 | 57% | 0.57 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -52.2 | 179.6 | -67.4 | -174.7 | 177.7 | -175.9 | 0 | 111.2 | L157 D280 R284 | L157-K282 HydrophobicContact CD1-CG 3.78Å; D280-K282 VanDerWaalsContact C-N 3.29Å; D280-K282 PolarHBondContact O-N 3.19Å; D280-K282 WeakPolarHBondContact OD1-CB 3.45Å; D280-K282 PolarHBondContact OD1-N 3.06Å; K282-R284 VanDerWaalsContact C-N 3.26Å; K282-R284 PolarHBondContact O-N 2.74Å |
| 283 | S | 91.9 | Very high | 95.6 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -11 | 179.6 | 70.9 | 0 | 0 | 0 | 0 | 113.4 | D280 R285 | D280-S283 VanDerWaalsContact CB-OG 3.26Å; D280-S283 WeakPolarHBondContact CB-OG 3.18Å; D280-S283 PolarHBondContact OD1-N 3.14Å; D280-S283 VanDerWaalsContact OD1-N 3.16Å; D280-S283 WeakPolarHBondContact OD2-CB 3.38Å; D280-S283 PolarHBondContact OD2-OG 3.33Å; S283-R285 VanDerWaalsContact C-N 3.28Å; S283-R285 PolarHBondContact O-N 3.11Å |
| 284 | R | 91.7 | Very high | 95.5 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 45.1 | -179.6 | -63.4 | 174.2 | -70.7 | 169 | -0.5 | 111.8 | D280 K282 | D280-R284 WeakPolarHBondContact O-CA 3.07Å; D280-R284 PolarHBondContact O-N 2.83Å; K282-R284 VanDerWaalsContact C-N 3.26Å; K282-R284 PolarHBondContact O-N 2.74Å |
| 285 | R | 94.5 | Very high | 95.3 | Very high | 184 Ų | 184 | 59.1 Ų | 59.1 | 69% | 0.694 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.2 | -179.2 | -72 | 176.3 | -177.1 | -167.6 | 0.3 | 110.6 | V279 D280 S283 I287 | V279-R285 WeakPolarHBondContact CA-O 3.1Å; D280-R285 PolarHBondContact N-O 2.64Å; D280-R285 PolarHBondContact O-N 3.3Å; S283-R285 VanDerWaalsContact C-N 3.28Å; S283-R285 PolarHBondContact O-N 3.11Å; R285-I287 PolarHBondContact O-N 2.8Å |
| 286 | I | 95.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 119 | 168.7 | -55.3 | 172.7 | 0 | 0 | 0 | 107.5 | P240 K244 F277 S278 V279 R288 H289 | P240-I286 HydrophobicContact CB-CG1 4.09Å; P240-I286 HydrophobicContact CG-CG1 4.19Å; K244-I286 HydrophobicContact CB-CD1 4.31Å; K244-I286 HydrophobicContact CG-CD1 3.44Å; K244-I286 VanDerWaalsContact CG-CD1 3.44Å; F277-I286 HydrophobicContact CD1-CD1 4.42Å; S278-I286 CarbonylContact O-C 3.53Å; V279-I286 HydrophobicContact CG2-CG1 4.24Å; I286-R288 WeakPolarHBondContact CG2-O 3.28Å; I286-H289 HydrophobicContact CG2-CB 4.08Å |
| 287 | I | 94.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 28% | 0.282 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -51 | 175.4 | -54.4 | 160.5 | 0 | 0 | 0 | 109.2 | I262 S278 D280 R285 L327 | I262-I287 HydrophobicContact CD1-CD1 3.86Å; I262-I287 HydrophobicContact CG1-CD1 4.06Å; I262-I287 HydrophobicContact CG2-CD1 4.2Å; S278-I287 PolarHBondContact O-N 3.05Å; D280-I287 HydrophobicContact CB-CD1 3.88Å; D280-I287 HydrophobicContact CB-CG1 3.9Å; R285-I287 PolarHBondContact O-N 2.8Å; I287-L327 HydrophobicContact CB-CD1 4.42Å; I287-L327 HydrophobicContact CG2-CD1 3.55Å |
| 288 | R | 94.7 | Very high | 95.1 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 155.1 | 175.6 | -69.4 | -172.5 | -179.2 | -177.9 | 0.2 | 110 | S278 I286 F290 F349 | S278-R288 PolarHBondContact N-O 3.41Å; S278-R288 PolarHBondContact OG-N 2.83Å; S278-R288 PolarHBondContact OG-O 2.7Å; I286-R288 WeakPolarHBondContact CG2-O 3.28Å; R288-F290 HydrophobicContact CB-CE2 4.29Å; R288-F290 HydrophobicContact CB-CZ 4.26Å; R288-F349 HydrophobicContact CB-CD1 4.29Å; R288-F349 HydrophobicContact CB-CE1 4.04Å |
| 289 | H | 95.8 | Very high | 95.1 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 36% | 0.356 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 148.8 | 169.7 | 68.9 | 89.7 | 0 | 0 | 0 | 110.4 | L276 F277 I286 | L276-H289 CarbonylContact O-C 3.6Å; L276-H289 VanDerWaalsContact O-CA 3.26Å; L276-H289 WeakPolarHBondContact O-CA 3.15Å; F277-H289 HydrophobicContact CB-CB 4.49Å; F277-H289 HydrophobicContact CD1-CB 3.28Å; F277-H289 HydrophobicContact CE1-CB 3.58Å; F277-H289 AromaticContact CE1-CG 3.95Å; F277-H289 HydrophobicContact CG-CB 4.08Å; I286-H289 HydrophobicContact CG2-CB 4.08Å |
| 290 | F | 97.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.6 | 178.5 | -51.7 | -72.2 | 0 | 0 | 0 | 108.6 | G275 L276 R288 I348 F349 N352 G353 F354 | G275-F290 CarbonylContact C-O 3.57Å; G275-F290 VanDerWaalsContact CA-O 3.28Å; G275-F290 WeakPolarHBondContact CA-O 3.45Å; L276-F290 PolarHBondContact N-O 3.21Å; L276-F290 PolarHBondContact O-N 3.34Å; R288-F290 HydrophobicContact CB-CE2 4.29Å; R288-F290 HydrophobicContact CB-CZ 4.26Å; F290-I348 HydrophobicContact CD2-CG2 3.63Å; F290-I348 HydrophobicContact CE2-CG2 4.05Å; F290-I348 HydrophobicContact CG-CG2 4.32Å; F290-F349 HydrophobicContact CD2-CE1 4.29Å; F290-F349 AromaticContact CE2-CD1 3.6Å; F290-F349 HydrophobicContact CE2-CD1 3.6Å; F290-F349 AromaticContact CE2-CE1 3.66Å; F290-F349 HydrophobicContact CE2-CE1 3.66Å; F290-F349 HydrophobicContact CE2-CG 4.26Å; F290-F349 HydrophobicContact CE2-CZ 4.37Å; F290-F349 HydrophobicContact CZ-CD1 4.35Å; F290-N352 VanDerWaalsContact CE1-O 3.25Å; F290-N352 WeakPolarHBondContact CE1-O 3.19Å; F290-G353 VanDerWaalsContact CG-CA 3.42Å; F290-F354 HydrophobicContact CB-CD2 3.82Å; F290-F354 HydrophobicContact CB-CE2 3.81Å; F290-F354 WeakPolarHBondContact O-CE2 3.18Å |
| 291 | H | 97.5 | Very high | 95.3 | Very high | 114 Ų | 114 | 61.4 Ų | 61.4 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 156.5 | 173.9 | 63.5 | -82.2 | 0 | 0 | 0 | 109.9 | W273 F274 | W273-H291 HydrophobicContact CZ2-CB 3.65Å; W273-H291 AromaticContact NE1-CD2 3.63Å; W273-H291 AromaticContact NE1-CG 3.86Å; F274-H291 WeakPolarHBondContact O-CA 3.03Å; F274-H291 WeakPolarHBondContact O-CB 3.29Å |
| 292 | L | 97.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 164.8 | 174.2 | -178 | 60 | 0 | 0 | 0 | 107.7 | F274 Y345 F354 | F274-L292 WeakPolarHBondContact CD1-O 3.06Å; F274-L292 HydrophobicContact CE1-CB 4.13Å; F274-L292 HydrophobicContact CE1-CG 4.39Å; F274-L292 HydrophobicContact CE2-CB 3.99Å; F274-L292 HydrophobicContact CZ-CB 3.63Å; F274-L292 HydrophobicContact CZ-CD2 4.01Å; F274-L292 HydrophobicContact CZ-CG 3.99Å; F274-L292 PolarHBondContact N-O 2.96Å; F274-L292 PolarHBondContact O-N 2.82Å; F274-L292 VanDerWaalsContact O-O 3.13Å; L292-Y345 HydrophobicContact CD2-CE1 4.08Å; L292-Y345 VanDerWaalsContact CD2-OH 3.3Å; L292-Y345 WeakPolarHBondContact CD2-OH 3.49Å; L292-F354 HydrophobicContact CB-CB 3.83Å; L292-F354 HydrophobicContact CB-CD2 4.02Å; L292-F354 HydrophobicContact CB-CG 4.19Å; L292-F354 HydrophobicContact CD2-CB 3.72Å; L292-F354 HydrophobicContact CG-CB 4.41Å |
| 293 | S | 96.9 | Very high | 95.9 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 47% | 0.469 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.3 | 175.3 | -66.6 | 0 | 0 | 0 | 0 | 109.8 | G272 | G272-S293 CarbonylContact O-C 3.59Å; G272-S293 WeakPolarHBondContact O-CA 3.47Å |
| 294 | H | 96.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | trans | -84.2 | 170.9 | 160.8 | -77 | -170.1 | 0 | 0 | 0 | 109.7 | G272 F274 S296 I298 S337 E340 Y345 | G272-H294 PolarHBondContact O-N 2.63Å; F274-H294 AromaticContact CE1-CD2 3.42Å; F274-H294 VanDerWaalsContact CE1-CD2 3.42Å; F274-H294 WeakPolarHBondContact CE1-CD2 3.37Å; F274-H294 AromaticContact CE1-CG 3.83Å; F274-H294 AromaticContact CE1-NE2 3.63Å; F274-H294 AromaticContact CZ-CD2 3.94Å; F274-H294 AromaticContact CZ-NE2 3.76Å; H294-S296 VanDerWaalsContact C-N 3.35Å; H294-I298 HydrophobicContact CB-CD1 4.03Å; H294-S337 PolarHBondContact ND1-OG 3.34Å; H294-E340 WeakPolarHBondContact CB-OE1 3.29Å; H294-E340 IonicContact CG-OE2 2.73Å; H294-Y345 AromaticContact NE2-CE2 3.99Å; H294-Y345 AromaticContact NE2-CZ 3.94Å; H294-Y345 PolarHBondContact NE2-OH 3.18Å | ||
| 295 | E | 94.9 | Very high | 96.1 | Very high | 188 Ų | 188 | 52.1 Ų | 52.1 | 88% | 0.879 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -88.8 | -1.1 | 179.6 | -61.4 | -172.4 | 168.5 | 0 | 0 | 113.4 | E340 | E295-E340 WeakPolarHBondContact CA-OE1 3.29Å; E295-E340 VanDerWaalsContact N-CD 3.35Å; E295-E340 PolarHBondContact N-OE1 2.92Å; E295-E340 PolarHBondContact N-OE2 2.87Å |
| 296 | S | 94.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -139.3 | 157.1 | -176.3 | 63 | 0 | 0 | 0 | 0 | 113.1 | G272 H294 I298 S337 F339 E340 | G272-S296 WeakPolarHBondContact CA-O 3.48Å; H294-S296 VanDerWaalsContact C-N 3.35Å; S296-I298 PolarHBondContact O-N 3.39Å; S296-S337 WeakPolarHBondContact OG-CB 3.17Å; S296-F339 PolarHBondContact OG-N 3.25Å; S296-E340 WeakPolarHBondContact CB-OE1 3.2Å; S296-E340 PolarHBondContact N-OE1 3.2Å; S296-E340 PolarHBondContact OG-N 2.93Å; S296-E340 PolarHBondContact OG-OE1 3.29Å |
| 297 | P | 96.2 | Very high | 95.4 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | trans | -52.3 | 136.1 | -178.5 | -23.4 | 27.4 | 0 | 0 | 0 | 113.5 | L252 Q270 T299 S337 A338 | L252-P297 HydrophobicContact CD1-CB 3.94Å; Q270-P297 WeakPolarHBondContact O-CA 3.39Å; Q270-P297 VanDerWaalsContact O-CB 3.25Å; Q270-P297 WeakPolarHBondContact O-CB 3.27Å; Q270-P297 WeakPolarHBondContact O-CG 3.46Å; P297-T299 PolarHBondContact O-N 3.1Å; P297-S337 CarbonylContact O-C 3.59Å; P297-S337 VanDerWaalsContact O-CA 3.29Å; P297-S337 WeakPolarHBondContact O-CA 3.35Å; P297-A338 HydrophobicContact CB-CB 4.37Å; P297-A338 HydrophobicContact CG-CB 4.37Å; P297-A338 PolarHBondContact O-N 3.37Å | ||
| 298 | I | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 109.9 | 174.7 | -52.8 | -51.5 | 0 | 0 | 0 | 108.9 | L252 S269 F274 H294 S296 I301 V335 C336 S337 | L252-I298 WeakPolarHBondContact CB-O 3.3Å; S269-I298 PolarHBondContact O-N 2.66Å; F274-I298 HydrophobicContact CB-CG1 4.33Å; F274-I298 HydrophobicContact CD1-CD1 3.97Å; F274-I298 HydrophobicContact CD1-CG1 4.22Å; H294-I298 HydrophobicContact CB-CD1 4.03Å; S296-I298 PolarHBondContact O-N 3.39Å; I298-I301 HydrophobicContact CG2-CB 4.36Å; I298-V335 HydrophobicContact CD1-CG1 3.77Å; I298-V335 HydrophobicContact CG2-CG1 4.2Å; I298-C336 CarbonylContact C-O 3.31Å; I298-C336 WeakPolarHBondContact CA-O 3.39Å; I298-S337 VanDerWaalsContact CD1-OG 3.24Å; I298-S337 WeakPolarHBondContact CD1-OG 3.3Å |
| 299 | T | 95.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -31.7 | -176.5 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | P297 C336 A338 V371 | P297-T299 PolarHBondContact O-N 3.1Å; T299-C336 PolarHBondContact N-O 3.29Å; T299-C336 PolarHBondContact OG1-O 3.19Å; T299-A338 HydrophobicContact CG2-CB 4.1Å; T299-V371 VanDerWaalsContact CB-O 3.22Å; T299-V371 WeakPolarHBondContact CB-O 3.49Å; T299-V371 PolarHBondContact OG1-O 2.79Å |
| 300 | S | 96.8 | Very high | 90 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 141.8 | 177.9 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | C336 | S300-C336 PolarHBondContact O-N 3.01Å |
| 301 | I | 98.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 132.6 | 174.6 | -170.1 | 164.4 | 0 | 0 | 0 | 108.9 | H253 D255 A266 F274 I298 C333 L334 V335 | H253-I301 HydrophobicContact CB-CG2 4.25Å; H253-I301 PolarHBondContact CE1-O 2.83Å; H253-I301 PolarHBondContact ND1-N 2.98Å; H253-I301 VanDerWaalsContact ND1-N 3.2Å; H253-I301 PolarHBondContact ND1-O 2.78Å; H253-I301 VanDerWaalsContact ND1-O 3.11Å; D255-I301 VanDerWaalsContact CB-O 3.28Å; D255-I301 WeakPolarHBondContact CB-O 3.27Å; A266-I301 HydrophobicContact CB-CD1 3.85Å; A266-I301 HydrophobicContact CB-CG1 3.95Å; A266-I301 HydrophobicContact CB-CG2 4.35Å; F274-I301 HydrophobicContact CB-CD1 3.88Å; F274-I301 HydrophobicContact CD2-CD1 4.47Å; I298-I301 HydrophobicContact CG2-CB 4.36Å; I301-C333 WeakPolarHBondContact CG1-SG 3.34Å; I301-L334 CarbonylContact C-O 3.56Å; I301-L334 VanDerWaalsContact CA-O 3.3Å; I301-L334 WeakPolarHBondContact CA-O 3.47Å; I301-V335 HydrophobicContact CD1-CG2 4.35Å; I301-V335 HydrophobicContact CG1-CG2 4.4Å |
| 302 | K | 98 | Very high | 84.6 | Confident | 52 Ų | 52 | 52 Ų | 52 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 131.9 | -177.7 | -67.3 | -70 | 172.7 | -172.3 | 0 | 112.7 | D255 C333 L334 V376 | D255-K302 WeakPolarHBondContact OD1-CD 3.42Å; D255-K302 IonicContact OD1-NZ 3.94Å; D255-K302 PolarHBondContact OD1-NZ 3.49Å; D255-K302 WeakPolarHBondContact OD2-CA 3.31Å; K302-C333 CarbonylContact O-C 3.58Å; K302-C333 WeakPolarHBondContact O-CA 3.14Å; K302-L334 HydrophobicContact CB-CB 4.17Å; K302-L334 HydrophobicContact CB-CD2 4.47Å; K302-L334 PolarHBondContact N-O 2.67Å; K302-L334 PolarHBondContact O-N 3.4Å; K302-V376 HydrophobicContact CB-CG2 4.03Å; K302-V376 HydrophobicContact CG-CG2 4.38Å |
| 303 | I | 97.2 | Very high | 81.5 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.5 | 174.6 | -56.3 | 157.4 | 0 | 0 | 0 | 108.9 | D255 K257 F264 A266 L276 V331 | D255-I303 WeakPolarHBondContact O-CD1 3.17Å; D255-I303 PolarHBondContact OD2-N 2.94Å; K257-I303 HydrophobicContact CB-CB 4.1Å; K257-I303 HydrophobicContact CB-CD1 4.46Å; K257-I303 HydrophobicContact CB-CG2 4Å; K257-I303 HydrophobicContact CD-CG2 4.23Å; K257-I303 WeakPolarHBondContact CD-O 3.1Å; F264-I303 HydrophobicContact CB-CD1 3.8Å; F264-I303 HydrophobicContact CB-CG2 4.01Å; F264-I303 WeakPolarHBondContact O-CD1 3.48Å; A266-I303 HydrophobicContact CB-CD1 3.6Å; A266-I303 HydrophobicContact CB-CG1 3.59Å; L276-I303 HydrophobicContact CD1-CD1 3.94Å; L276-I303 HydrophobicContact CD1-CG1 3.87Å; I303-V331 HydrophobicContact CG2-CG1 3.91Å |
| 304 | F | 95.9 | Very high | 78.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 167.3 | 177.8 | 72.1 | -77.9 | 0 | 0 | 0 | 112.5 | N332 L334 V344 V376 N385 I387 F413 | F304-N332 HydrophobicContact CD1-CB 3.93Å; F304-N332 HydrophobicContact CD2-CB 4.3Å; F304-N332 HydrophobicContact CE1-CB 3.57Å; F304-N332 HydrophobicContact CE2-CB 3.98Å; F304-N332 HydrophobicContact CG-CB 4.28Å; F304-N332 HydrophobicContact CZ-CB 3.61Å; F304-N332 PolarHBondContact N-O 2.95Å; F304-N332 VanDerWaalsContact N-O 3.07Å; F304-N332 PolarHBondContact O-N 2.69Å; F304-L334 HydrophobicContact CE1-CB 4.08Å; F304-V344 HydrophobicContact CE1-CG1 4.11Å; F304-V344 HydrophobicContact CE1-CG2 4.37Å; F304-V344 HydrophobicContact CZ-CG1 3.8Å; F304-V344 HydrophobicContact CZ-CG2 4.2Å; F304-V376 HydrophobicContact CB-CB 4.36Å; F304-V376 HydrophobicContact CB-CG1 3.66Å; F304-V376 HydrophobicContact CD1-CG1 3.89Å; F304-V376 HydrophobicContact CD1-CG2 4.49Å; F304-V376 HydrophobicContact CD2-CG1 3.57Å; F304-V376 HydrophobicContact CE1-CG1 4.39Å; F304-V376 HydrophobicContact CE2-CG1 4.1Å; F304-V376 HydrophobicContact CG-CB 4.41Å; F304-V376 HydrophobicContact CG-CG1 3.45Å; F304-V376 VanDerWaalsContact CG-CG1 3.45Å; F304-V376 HydrophobicContact CZ-CG1 4.47Å; F304-N385 HydrophobicContact CD2-CB 4.16Å; F304-I387 HydrophobicContact CZ-CD1 4.2Å; F304-F413 AromaticContact CE2-CZ 3.99Å; F304-F413 HydrophobicContact CE2-CZ 3.99Å; F304-F413 HydrophobicContact CZ-CE2 4.27Å; F304-F413 AromaticContact CZ-CZ 3.98Å; F304-F413 HydrophobicContact CZ-CZ 3.98Å |
| 305 | Q | 92.7 | Very high | 75.6 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | trans | -110.4 | 143.1 | 171.4 | -58.5 | -172.8 | -97.6 | 0 | 0 | 107.7 | I259 D330 N385 | I259-Q305 VanDerWaalsContact CD1-CD 3.46Å; I259-Q305 HydrophobicContact CD1-CG 3.66Å; Q305-D330 VanDerWaalsContact CA-O 3.23Å; Q305-D330 WeakPolarHBondContact CA-O 3Å; Q305-D330 VanDerWaalsContact CB-O 3.31Å; Q305-D330 WeakPolarHBondContact CB-O 3.26Å; Q305-D330 WeakPolarHBondContact CG-O 3.32Å; Q305-N385 PolarHBondContact O-ND2 3.3Å | ||
| 306 | Q | 89.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -69.5 | -40.6 | -176.6 | -174.2 | 54.1 | 45.3 | 0 | 0 | 112.4 | Y346 K384 N385 W401 | Q306-Y346 HydrophobicContact CB-CE2 4.05Å; Q306-Y346 HydrophobicContact CG-CE2 4.32Å; Q306-K384 WeakPolarHBondContact O-CA 3.18Å; Q306-N385 PolarHBondContact NE2-O 2.72Å; Q306-N385 VanDerWaalsContact NE2-O 3.17Å; Q306-N385 PolarHBondContact O-N 2.89Å; Q306-N385 VanDerWaalsContact O-N 3.07Å; Q306-W401 HydrophobicContact CG-CD2 4.16Å; Q306-W401 HydrophobicContact CG-CG 4.35Å |
| 307 | F | 85.1 | Confident | 69.6 | Low | 58 Ų | 58 | 65.9 Ų | 65.9 | 25% | 0.254 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -117.4 | 122 | -173.6 | -54.5 | -73.8 | 0 | 0 | 0 | 109.2 | G309 K384 W401 K409 | F307-G309 PolarHBondContact O-N 2.78Å; F307-K384 HydrophobicContact CD1-CG 3.94Å; F307-K384 HydrophobicContact CE1-CD 4.4Å; F307-K384 HydrophobicContact CE1-CG 3.99Å; F307-W401 AromaticContact CZ-NE1 3.87Å; F307-K409 HydrophobicContact CE2-CG 4.34Å |
| 308 | N | 70.7 | Confident | 66.8 | Low | 62 Ų | 62 | 67.7 Ų | 67.7 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | trans | -80.4 | 100.2 | 176.5 | -66.5 | -25.7 | 0 | 0 | 0 | 108.8 | F310 G383 N385 | N308-F310 PolarHBondContact O-N 3.18Å; N308-G383 PolarHBondContact N-O 3.12Å; N308-N385 PolarHBondContact ND2-OD1 3.16Å; N308-N385 PolarHBondContact OD1-ND2 3.12Å | ||
| 309 | G | 56.3 | Low | 63.9 | Low | 60 Ų | 60 | 77.4 Ų | 77.4 | 62% | 0.619 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 68.7 | -2.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | F307 D311 S312 | F307-G309 PolarHBondContact O-N 2.78Å; G309-D311 PolarHBondContact O-N 3.07Å; G309-S312 PolarHBondContact O-OG 2.88Å |
| 310 | F | 44.8 | Very low | 61.2 | Low | 196 Ų | 196 | 79.9 Ų | 79.9 | 86% | 0.86 | 44% | 0.438 | S | S | * | . | trans | -72.5 | -3.6 | 177.2 | -87.7 | -78.9 | 0 | 0 | 0 | 115.7 | N308 S312 | N308-F310 PolarHBondContact O-N 3.18Å; F310-S312 VanDerWaalsContact C-N 3.3Å; F310-S312 PolarHBondContact O-N 2.82Å | ||
| 311 | D | 40.6 | Very low | 59 | Low | 107 Ų | 107 | 86.2 Ų | 86.2 | 57% | 0.572 | 47% | 0.471 | S | S | * | . | trans | -90.3 | 63.5 | 165.7 | -85.1 | -27.8 | 0 | 0 | 0 | 110.4 | G309 K409 | G309-D311 PolarHBondContact O-N 3.07Å; D311-K409 IonicContact OD2-NZ 2.8Å | ||
| 312 | S | 39.5 | Very low | 56.8 | Low | 108 Ų | 108 | 93.6 Ų | 93.6 | 76% | 0.755 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -97.7 | 1.4 | 160 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | G309 F310 | G309-S312 PolarHBondContact O-OG 2.88Å; F310-S312 VanDerWaalsContact C-N 3.3Å; F310-S312 PolarHBondContact O-N 2.82Å |
| 313 | A | 33.3 | Very low | 54.6 | Low | 102 Ų | 102 | 94.2 Ų | 94.2 | 84% | 0.843 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -104.8 | -8.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 314 | S | 34.7 | Very low | 52.6 | Low | 70 Ų | 70 | 96.9 Ų | 96.9 | 49% | 0.49 | 53% | 0.528 | S | S | . | . | trans | -122.2 | 55.3 | 174.3 | 63 | 0 | 0 | 0 | 0 | 111.1 | E316 | S314-E316 PolarHBondContact O-N 2.88Š| ||
| 315 | E | 35.4 | Very low | 50.6 | Low | 173 Ų | 173 | 99 Ų | 99 | 81% | 0.808 | 54% | 0.544 | S | S | * | . | trans | -63.2 | 78.9 | 145.1 | -73.2 | -172.7 | 166.8 | 0 | 0 | 106.9 | V317 | E315-V317 VanDerWaalsContact C-N 3.29Å; E315-V317 PolarHBondContact O-N 3.44Å | ||
| 316 | E | 31.5 | Very low | 49 | Very low | 150 Ų | 150 | 98.9 Ų | 98.9 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | trans | -55.8 | 108.1 | 155.3 | -74.5 | -168.9 | 148.6 | 0 | 0 | 105 | S314 I318 | S314-E316 PolarHBondContact O-N 2.88Å; E316-I318 HydrophobicContact CB-CD1 3.86Å; E316-I318 HydrophobicContact CB-CG1 3.91Å; E316-I318 PolarHBondContact O-N 2.9Å; E316-I318 VanDerWaalsContact OE2-CD1 3.25Å; E316-I318 WeakPolarHBondContact OE2-CD1 2.87Å | ||
| 317 | V | 32.2 | Very low | 47.4 | Very low | 132 Ų | 132 | 99.5 Ų | 99.5 | 80% | 0.8 | 55% | 0.547 | S | S | * | . | trans | -62.6 | 72.3 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | E315 | E315-V317 VanDerWaalsContact C-N 3.29Å; E315-V317 PolarHBondContact O-N 3.44Å | ||
| 318 | I | 37.1 | Very low | 46.2 | Very low | 74 Ų | 74 | 102.3 Ų | 102.3 | 38% | 0.379 | 56% | 0.559 | S | S | . | * | trans | -98 | 111.1 | 173.9 | -64.3 | 171.8 | 0 | 0 | 0 | 105.7 | E316 D320 | E316-I318 HydrophobicContact CB-CD1 3.86Å; E316-I318 HydrophobicContact CB-CG1 3.91Å; E316-I318 PolarHBondContact O-N 2.9Å; E316-I318 VanDerWaalsContact OE2-CD1 3.25Å; E316-I318 WeakPolarHBondContact OE2-CD1 2.87Å; I318-D320 HydrophobicContact CG2-CB 4.24Å; I318-D320 PolarHBondContact O-N 3.39Å | ||
| 319 | K | 36.7 | Very low | 46 | Very low | 203 Ų | 203 | 103.4 Ų | 103.4 | 88% | 0.883 | 56% | 0.561 | S | S | * | * | trans | -67.9 | 43.5 | 175.8 | -63.1 | -179.1 | 175.6 | -179.9 | 0 | 113 | ||||
| 320 | D | 38.3 | Very low | 47.3 | Very low | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -92.2 | 141.4 | 163 | -71.8 | -23.7 | 0 | 0 | 0 | 107.6 | I318 E322 K328 | I318-D320 HydrophobicContact CG2-CB 4.24Å; I318-D320 PolarHBondContact O-N 3.39Å; D320-E322 PolarHBondContact O-N 3.42Å; D320-K328 IonicContact OD2-NZ 3.84Å |
| 321 | N | 50.3 | Low | 49.6 | Very low | 134 Ų | 134 | 92.5 Ų | 92.5 | 72% | 0.717 | 50% | 0.497 | S | S | * | . | trans | -32.6 | 123.3 | 178 | -80.4 | -16.3 | 0 | 0 | 0 | 111.1 | N323 V324 S325 | N321-N323 PolarHBondContact O-N 2.91Å; N321-V324 HydrophobicContact CB-CG2 4.21Å; N321-V324 WeakPolarHBondContact O-CB 3.43Å; N321-V324 PolarHBondContact O-N 3.08Å; N321-S325 PolarHBondContact O-N 3.02Å | ||
| 322 | E | 53.4 | Low | 52.2 | Low | 155 Ų | 155 | 87.4 Ų | 87.4 | 72% | 0.724 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -45.4 | -38.8 | -171.9 | -66.2 | 179.5 | 163.9 | 0 | 0 | 112.9 | D320 V324 S325 I326 | D320-E322 PolarHBondContact O-N 3.42Å; E322-V324 VanDerWaalsContact C-N 3.3Å; E322-V324 PolarHBondContact O-N 2.77Å; E322-S325 PolarHBondContact O-N 3.47Å; E322-S325 PolarHBondContact O-OG 3.34Å; E322-I326 WeakPolarHBondContact O-CD1 3.38Å; E322-I326 WeakPolarHBondContact O-CG1 3.27Å; E322-I326 PolarHBondContact O-N 2.92Å; E322-I326 VanDerWaalsContact O-N 3.09Å |
| 323 | N | 51.9 | Low | 55 | Low | 66 Ų | 66 | 82.2 Ų | 82.2 | 35% | 0.353 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -32.1 | 177.7 | -67.3 | -6.1 | 0 | 0 | 0 | 114.1 | N321 L327 | N321-N323 PolarHBondContact O-N 2.91Å; N323-L327 VanDerWaalsContact O-CG 3.3Å; N323-L327 WeakPolarHBondContact O-CG 3.32Å; N323-L327 PolarHBondContact O-N 2.89Å |
| 324 | V | 53.6 | Low | 58.1 | Low | 64 Ų | 64 | 77.4 Ų | 77.4 | 39% | 0.388 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -79.1 | -39.3 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | N321 E322 L327 K328 | N321-V324 HydrophobicContact CB-CG2 4.21Å; N321-V324 WeakPolarHBondContact O-CB 3.43Å; N321-V324 PolarHBondContact O-N 3.08Å; E322-V324 VanDerWaalsContact C-N 3.3Å; E322-V324 PolarHBondContact O-N 2.77Å; V324-L327 PolarHBondContact O-N 3.42Å; V324-K328 PolarHBondContact O-N 3.11Å |
| 325 | S | 55.5 | Low | 61.1 | Low | 47 Ų | 47 | 74 Ų | 74 | 33% | 0.329 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 175.9 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | N321 E322 L327 K328 | N321-S325 PolarHBondContact O-N 3.02Å; E322-S325 PolarHBondContact O-N 3.47Å; E322-S325 PolarHBondContact O-OG 3.34Å; S325-L327 PolarHBondContact O-N 2.88Å; S325-K328 VanDerWaalsContact O-CB 3.31Å; S325-K328 WeakPolarHBondContact O-CB 3.43Å; S325-K328 PolarHBondContact O-N 2.85Å; S325-K328 VanDerWaalsContact O-N 3.09Å |
| 326 | I | 57.2 | Low | 64.1 | Low | 33 Ų | 33 | 65.8 Ų | 65.8 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.7 | -62.7 | 161.1 | 0 | 0 | 0 | 111.5 | N260 I262 E322 K328 K329 | N260-I326 HydrophobicContact CB-CD1 4.39Å; N260-I326 HydrophobicContact CB-CG2 3.86Å; I262-I326 HydrophobicContact CD1-CB 4.16Å; I262-I326 HydrophobicContact CD1-CG2 3.63Å; I262-I326 HydrophobicContact CG1-CG2 4.47Å; E322-I326 WeakPolarHBondContact O-CD1 3.38Å; E322-I326 WeakPolarHBondContact O-CG1 3.27Å; E322-I326 PolarHBondContact O-N 2.92Å; E322-I326 VanDerWaalsContact O-N 3.09Å; I326-K328 PolarHBondContact O-N 3.04Å; I326-K329 WeakPolarHBondContact O-CB 3.43Å; I326-K329 WeakPolarHBondContact O-CG 3.14Å; I326-K329 PolarHBondContact O-N 2.85Å; I326-K329 VanDerWaalsContact O-N 3.1Å |
| 327 | L | 58.2 | Low | 67.2 | Low | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -7.6 | 175.9 | -72.7 | 175.2 | 0 | 0 | 0 | 114.1 | I262 F264 I287 N323 V324 S325 F349 | I262-L327 HydrophobicContact CD1-CD2 4.21Å; I262-L327 HydrophobicContact CD1-CG 4.32Å; F264-L327 HydrophobicContact CE1-CD2 4.24Å; F264-L327 HydrophobicContact CZ-CD2 4.21Å; I287-L327 HydrophobicContact CB-CD1 4.42Å; I287-L327 HydrophobicContact CG2-CD1 3.55Å; N323-L327 VanDerWaalsContact O-CG 3.3Å; N323-L327 WeakPolarHBondContact O-CG 3.32Å; N323-L327 PolarHBondContact O-N 2.89Å; V324-L327 PolarHBondContact O-N 3.42Å; S325-L327 PolarHBondContact O-N 2.88Å; L327-F349 HydrophobicContact CD2-CD1 3.91Å; L327-F349 HydrophobicContact CD2-CE1 4.16Å; L327-F349 HydrophobicContact CD2-CG 4.27Å; L327-F349 WeakPolarHBondContact O-CB 3.29Å |
| 328 | K | 59.1 | Low | 70.1 | Confident | 117 Ų | 117 | 53.1 Ų | 53.1 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.5 | 169.4 | -64.4 | 178.6 | -177.7 | 172.8 | 0 | 112.6 | D320 V324 S325 I326 | D320-K328 IonicContact OD2-NZ 3.84Å; V324-K328 PolarHBondContact O-N 3.11Å; S325-K328 VanDerWaalsContact O-CB 3.31Å; S325-K328 WeakPolarHBondContact O-CB 3.43Å; S325-K328 PolarHBondContact O-N 2.85Å; S325-K328 VanDerWaalsContact O-N 3.09Å; I326-K328 PolarHBondContact O-N 3.04Å |
| 329 | K | 67.4 | Low | 72.8 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -64.8 | 150.2 | 174.6 | -73.6 | -174.1 | 171.6 | -173.5 | 0 | 111.7 | I259 N260 I326 V331 | I259-K329 HydrophobicContact CG2-CD 4.14Å; N260-K329 PolarHBondContact ND2-NZ 2.85Å; N260-K329 PolarHBondContact OD1-NZ 3.02Å; I326-K329 WeakPolarHBondContact O-CB 3.43Å; I326-K329 WeakPolarHBondContact O-CG 3.14Å; I326-K329 PolarHBondContact O-N 2.85Å; I326-K329 VanDerWaalsContact O-N 3.1Å; K329-V331 PolarHBondContact O-N 3.39Å |
| 330 | D | 83.1 | Confident | 75.5 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | trans | -69.5 | 93.3 | -179.8 | -60.6 | -40 | 0 | 0 | 0 | 109.9 | Q305 N347 | Q305-D330 VanDerWaalsContact CA-O 3.23Å; Q305-D330 WeakPolarHBondContact CA-O 3Å; Q305-D330 VanDerWaalsContact CB-O 3.31Å; Q305-D330 WeakPolarHBondContact CB-O 3.26Å; Q305-D330 WeakPolarHBondContact CG-O 3.32Å; D330-N347 WeakPolarHBondContact CA-OD1 3.31Å; D330-N347 WeakPolarHBondContact CB-OD1 3.25Å; D330-N347 PolarHBondContact OD1-ND2 2.73Å; D330-N347 PolarHBondContact OD1-OD1 3.42Å | ||
| 331 | V | 93.1 | Very high | 78.3 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | trans | -108.4 | 120.8 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 109 | I259 F264 I303 K329 N347 I348 F349 | I259-V331 HydrophobicContact CD1-CG2 4.03Å; F264-V331 HydrophobicContact CD1-CG1 4.11Å; F264-V331 HydrophobicContact CE1-CG1 4.22Å; F264-V331 HydrophobicContact CE1-CG2 4.05Å; F264-V331 HydrophobicContact CE2-CG2 4.31Å; F264-V331 HydrophobicContact CG-CG1 4.5Å; F264-V331 HydrophobicContact CZ-CG2 3.85Å; I303-V331 HydrophobicContact CG2-CG1 3.91Å; K329-V331 PolarHBondContact O-N 3.39Å; V331-N347 WeakPolarHBondContact O-CA 3.47Å; V331-N347 PolarHBondContact O-N 2.88Å; V331-I348 PolarHBondContact O-N 3.26Å; V331-F349 HydrophobicContact CB-CD2 3.93Å; V331-F349 HydrophobicContact CB-CE2 4.02Å; V331-F349 HydrophobicContact CG1-CD2 4.34Å; V331-F349 HydrophobicContact CG1-CE2 3.92Å; V331-F349 HydrophobicContact CG2-CD2 4.46Å | ||
| 332 | N | 95.5 | Very high | 80.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 155.5 | -178.2 | -56.6 | -28.6 | 0 | 0 | 0 | 109.9 | F304 V344 Y345 Y346 N347 | F304-N332 HydrophobicContact CD1-CB 3.93Å; F304-N332 HydrophobicContact CD2-CB 4.3Å; F304-N332 HydrophobicContact CE1-CB 3.57Å; F304-N332 HydrophobicContact CE2-CB 3.98Å; F304-N332 HydrophobicContact CG-CB 4.28Å; F304-N332 HydrophobicContact CZ-CB 3.61Å; F304-N332 PolarHBondContact N-O 2.95Å; F304-N332 VanDerWaalsContact N-O 3.07Å; F304-N332 PolarHBondContact O-N 2.69Å; N332-V344 HydrophobicContact CB-CG1 4.24Å; N332-Y345 VanDerWaalsContact CA-O 3.28Å; N332-Y345 WeakPolarHBondContact CA-O 3.02Å; N332-Y346 WeakPolarHBondContact OD1-CA 3.41Å; N332-Y346 VanDerWaalsContact OD1-CD2 3.31Å; N332-Y346 WeakPolarHBondContact OD1-CD2 3.35Å; N332-N347 PolarHBondContact OD1-N 2.93Å |
| 333 | C | 97.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119.2 | 172.8 | -167.3 | 0 | 0 | 0 | 0 | 109.5 | I301 K302 V344 Y345 I348 F354 | I301-C333 WeakPolarHBondContact CG1-SG 3.34Å; K302-C333 CarbonylContact O-C 3.58Å; K302-C333 WeakPolarHBondContact O-CA 3.14Å; C333-V344 WeakPolarHBondContact O-CA 3.09Å; C333-Y345 PolarHBondContact N-O 2.68Å; C333-Y345 PolarHBondContact O-N 3.27Å; C333-I348 HydrophobicContact CB-CD1 3.28Å; C333-F354 HydrophobicContact CB-CE1 4.13Å |
| 334 | L | 98.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.2 | 167.4 | 176.9 | 66 | 0 | 0 | 0 | 108.5 | I301 K302 F304 T342 V343 V344 L362 A374 V376 I387 L389 | I301-L334 CarbonylContact C-O 3.56Å; I301-L334 VanDerWaalsContact CA-O 3.3Å; I301-L334 WeakPolarHBondContact CA-O 3.47Å; K302-L334 HydrophobicContact CB-CB 4.17Å; K302-L334 HydrophobicContact CB-CD2 4.47Å; K302-L334 PolarHBondContact N-O 2.67Å; K302-L334 PolarHBondContact O-N 3.4Å; F304-L334 HydrophobicContact CE1-CB 4.08Å; L334-T342 HydrophobicContact CD1-CG2 3.33Å; L334-T342 HydrophobicContact CG-CG2 4.28Å; L334-V343 CarbonylContact C-O 3.55Å; L334-V344 HydrophobicContact CB-CG2 4.43Å; L334-V344 HydrophobicContact CD1-CG2 3.63Å; L334-L362 HydrophobicContact CD1-CD2 4.3Å; L334-A374 HydrophobicContact CD2-CB 3.56Å; L334-V376 HydrophobicContact CD2-CG2 3.58Å; L334-I387 HydrophobicContact CD1-CD1 4.18Å; L334-I387 HydrophobicContact CD1-CG2 4.32Å; L334-I387 HydrophobicContact CD2-CG2 3.7Å; L334-L389 HydrophobicContact CD2-CD2 4.3Å |
| 335 | V | 98.4 | Very high | 87 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 113.6 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 108 | F274 I298 I301 V343 Y345 | F274-V335 HydrophobicContact CD1-CG1 4.03Å; F274-V335 HydrophobicContact CD2-CG2 3.92Å; F274-V335 HydrophobicContact CE1-CG1 4.11Å; F274-V335 HydrophobicContact CE2-CG2 3.87Å; F274-V335 HydrophobicContact CG-CG1 4.29Å; F274-V335 HydrophobicContact CG-CG2 4.36Å; F274-V335 HydrophobicContact CZ-CG1 4.39Å; F274-V335 HydrophobicContact CZ-CG2 4.28Å; I298-V335 HydrophobicContact CD1-CG1 3.77Å; I298-V335 HydrophobicContact CG2-CG1 4.2Å; I301-V335 HydrophobicContact CD1-CG2 4.35Å; I301-V335 HydrophobicContact CG1-CG2 4.4Å; V335-V343 PolarHBondContact N-O 3.2Å; V335-V343 PolarHBondContact O-N 3.33Å; V335-Y345 HydrophobicContact CB-CE2 4.39Å; V335-Y345 HydrophobicContact CG2-CD2 3.9Å; V335-Y345 HydrophobicContact CG2-CE2 3.98Å |
| 336 | C | 98.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 133.9 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 109 | I298 T299 S300 T342 V371 | I298-C336 CarbonylContact C-O 3.31Å; I298-C336 WeakPolarHBondContact CA-O 3.39Å; T299-C336 PolarHBondContact N-O 3.29Å; T299-C336 PolarHBondContact OG1-O 3.19Å; S300-C336 PolarHBondContact O-N 3.01Å; C336-T342 VanDerWaalsContact SG-CG2 3.56Å; C336-V371 HydrophobicContact CB-CB 4.25Å; C336-V371 HydrophobicContact CB-CG1 3.91Å |
| 337 | S | 96 | Very high | 90.4 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.5 | -179.6 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | H294 S296 P297 I298 | H294-S337 PolarHBondContact ND1-OG 3.34Å; S296-S337 WeakPolarHBondContact OG-CB 3.17Å; P297-S337 CarbonylContact O-C 3.59Å; P297-S337 VanDerWaalsContact O-CA 3.29Å; P297-S337 WeakPolarHBondContact O-CA 3.35Å; I298-S337 VanDerWaalsContact CD1-OG 3.24Å; I298-S337 WeakPolarHBondContact CD1-OG 3.3Å |
| 338 | A | 93.5 | Very high | 92.1 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 12% | 0.124 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -69.4 | -40.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P297 T299 H370 | P297-A338 HydrophobicContact CB-CB 4.37Å; P297-A338 HydrophobicContact CG-CB 4.37Å; P297-A338 PolarHBondContact O-N 3.37Å; T299-A338 HydrophobicContact CG2-CB 4.1Å; A338-H370 WeakPolarHBondContact O-CB 3.44Å |
| 339 | F | 92.6 | Very high | 93.6 | Very high | 167 Ų | 167 | 20.4 Ų | 20.4 | 73% | 0.732 | 10% | 0.099 | S | C | * | . | S | Bend | trans | -119.3 | -4 | -173.6 | -52 | -56.8 | 0 | 0 | 0 | 113.8 | S296 | S296-F339 PolarHBondContact OG-N 3.25Š|
| 340 | E | 94.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 23.7 Ų | 23.7 | 22% | 0.215 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -110.4 | 155.5 | 178.6 | -77.3 | 160.8 | -80.5 | 0 | 0 | 110.7 | H294 E295 S296 | H294-E340 WeakPolarHBondContact CB-OE1 3.29Å; H294-E340 IonicContact CG-OE2 2.73Å; E295-E340 WeakPolarHBondContact CA-OE1 3.29Å; E295-E340 VanDerWaalsContact N-CD 3.35Å; E295-E340 PolarHBondContact N-OE1 2.92Å; E295-E340 PolarHBondContact N-OE2 2.87Å; S296-E340 WeakPolarHBondContact CB-OE1 3.2Å; S296-E340 PolarHBondContact N-OE1 3.2Å; S296-E340 PolarHBondContact OG-N 2.93Å; S296-E340 PolarHBondContact OG-OE1 3.29Å |
| 341 | P | 96.5 | Very high | 95 | Very high | 46 Ų | 46 | 26.1 Ų | 26.1 | 30% | 0.299 | 13% | 0.126 | S | C | . | . | trans | -60.9 | 148 | 175.5 | 28.1 | -35.9 | 0 | 0 | 0 | 111.3 | I361 T366 | P341-I361 HydrophobicContact CB-CG2 3.88Å; P341-I361 HydrophobicContact CG-CG2 4.12Å; P341-T366 HydrophobicContact CB-CG2 3.97Å | ||
| 342 | T | 98.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | trans | -66.5 | 137.4 | 173.2 | -66.8 | 0 | 0 | 0 | 0 | 110 | L334 C336 L362 S365 L389 | L334-T342 HydrophobicContact CD1-CG2 3.33Å; L334-T342 HydrophobicContact CG-CG2 4.28Å; C336-T342 VanDerWaalsContact SG-CG2 3.56Å; T342-L362 HydrophobicContact CG2-CB 4.48Å; T342-L362 HydrophobicContact CG2-CD2 4Å; T342-L362 PolarHBondContact O-N 2.92Å; T342-S365 PolarHBondContact N-OG 3.42Å; T342-L389 HydrophobicContact CG2-CD1 3.99Å; T342-L389 HydrophobicContact CG2-CD2 4.08Å | ||
| 343 | V | 97.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.5 | -172.1 | 166.8 | 0 | 0 | 0 | 0 | 110.2 | L334 V335 Y345 Q359 L360 I361 | L334-V343 CarbonylContact C-O 3.55Å; V335-V343 PolarHBondContact N-O 3.2Å; V335-V343 PolarHBondContact O-N 3.33Å; V343-Y345 HydrophobicContact CB-CE2 4.4Å; V343-Y345 HydrophobicContact CG1-CD1 4.49Å; V343-Y345 HydrophobicContact CG1-CD2 3.86Å; V343-Y345 HydrophobicContact CG1-CE1 4.22Å; V343-Y345 HydrophobicContact CG1-CE2 3.55Å; V343-Y345 HydrophobicContact CG1-CG 4.32Å; V343-Q359 HydrophobicContact CB-CG 4.43Å; V343-Q359 HydrophobicContact CG1-CG 3.31Å; V343-Q359 HydrophobicContact CG2-CG 4.22Å; V343-L360 WeakPolarHBondContact CA-O 3.17Å; V343-I361 HydrophobicContact CG2-CG1 4.35Å |
| 344 | V | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.4 | 163.2 | 173.6 | 0 | 0 | 0 | 0 | 109 | F304 N332 C333 L334 L360 L362 I387 F413 | F304-V344 HydrophobicContact CE1-CG1 4.11Å; F304-V344 HydrophobicContact CE1-CG2 4.37Å; F304-V344 HydrophobicContact CZ-CG1 3.8Å; F304-V344 HydrophobicContact CZ-CG2 4.2Å; N332-V344 HydrophobicContact CB-CG1 4.24Å; C333-V344 WeakPolarHBondContact O-CA 3.09Å; L334-V344 HydrophobicContact CB-CG2 4.43Å; L334-V344 HydrophobicContact CD1-CG2 3.63Å; V344-L360 HydrophobicContact CB-CB 4.28Å; V344-L360 PolarHBondContact N-O 2.8Å; V344-L360 PolarHBondContact O-N 3.46Å; V344-L362 HydrophobicContact CB-CD1 4.35Å; V344-L362 HydrophobicContact CG2-CD1 3.69Å; V344-I387 HydrophobicContact CG2-CD1 3.49Å; V344-I387 VanDerWaalsContact CG2-CD1 3.49Å; V344-F413 HydrophobicContact CB-CD2 4.38Å; V344-F413 HydrophobicContact CB-CE2 4.24Å; V344-F413 HydrophobicContact CG1-CE2 4.05Å; V344-F413 HydrophobicContact CG2-CD2 4.06Å; V344-F413 HydrophobicContact CG2-CE2 3.94Å |
| 345 | Y | 97.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 108.1 | 164.6 | -67.9 | -81.3 | 0 | 0 | 0 | 109.1 | F274 L292 H294 N332 C333 V335 V343 I348 F354 N358 Q359 | F274-Y345 HydrophobicContact CE2-CD2 4.13Å; F274-Y345 AromaticContact CE2-CE2 3.69Å; F274-Y345 HydrophobicContact CE2-CE2 3.69Å; F274-Y345 HydrophobicContact CZ-CD2 4.37Å; F274-Y345 AromaticContact CZ-CE2 3.49Å; F274-Y345 HydrophobicContact CZ-CE2 3.49Å; F274-Y345 VanDerWaalsContact CZ-CE2 3.49Å; F274-Y345 AromaticContact CZ-CZ 3.88Å; L292-Y345 HydrophobicContact CD2-CE1 4.08Å; L292-Y345 VanDerWaalsContact CD2-OH 3.3Å; L292-Y345 WeakPolarHBondContact CD2-OH 3.49Å; H294-Y345 AromaticContact NE2-CE2 3.99Å; H294-Y345 AromaticContact NE2-CZ 3.94Å; H294-Y345 PolarHBondContact NE2-OH 3.18Å; N332-Y345 VanDerWaalsContact CA-O 3.28Å; N332-Y345 WeakPolarHBondContact CA-O 3.02Å; C333-Y345 PolarHBondContact N-O 2.68Å; C333-Y345 PolarHBondContact O-N 3.27Å; V335-Y345 HydrophobicContact CB-CE2 4.39Å; V335-Y345 HydrophobicContact CG2-CD2 3.9Å; V335-Y345 HydrophobicContact CG2-CE2 3.98Å; V343-Y345 HydrophobicContact CB-CE2 4.4Å; V343-Y345 HydrophobicContact CG1-CD1 4.49Å; V343-Y345 HydrophobicContact CG1-CD2 3.86Å; V343-Y345 HydrophobicContact CG1-CE1 4.22Å; V343-Y345 HydrophobicContact CG1-CE2 3.55Å; V343-Y345 HydrophobicContact CG1-CG 4.32Å; Y345-I348 WeakPolarHBondContact O-CG1 3.42Å; Y345-F354 HydrophobicContact CD1-CB 4.06Å; Y345-F354 AromaticContact CD1-CD1 3.85Å; Y345-F354 HydrophobicContact CD1-CD1 3.85Å; Y345-F354 HydrophobicContact CD1-CG 4.46Å; Y345-F354 AromaticContact CD2-CD1 3.69Å; Y345-F354 HydrophobicContact CD2-CD1 3.69Å; Y345-F354 HydrophobicContact CD2-CE1 4.07Å; Y345-F354 HydrophobicContact CE1-CB 4.04Å; Y345-F354 HydrophobicContact CE1-CD1 4.4Å; Y345-F354 HydrophobicContact CE2-CD1 4.25Å; Y345-F354 AromaticContact CG-CD1 3.46Å; Y345-F354 HydrophobicContact CG-CD1 3.46Å; Y345-F354 VanDerWaalsContact CG-CD1 3.46Å; Y345-F354 HydrophobicContact CG-CE1 4.12Å; Y345-F354 HydrophobicContact CG-CG 4.44Å; Y345-N358 WeakPolarHBondContact CA-O 2.99Å; Y345-Q359 HydrophobicContact CD1-CB 4.49Å; Y345-Q359 HydrophobicContact CE1-CB 4.21Å; Y345-Q359 HydrophobicContact CE1-CG 3.97Å |
| 346 | Y | 94 | Very high | 94.3 | Very high | 19 Ų | 19 | 40.6 Ų | 40.6 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | trans | -85.5 | 137.9 | -174.3 | -169.7 | -104.9 | 0 | 0 | 0 | 111.2 | Q306 N332 I348 N351 N358 L360 W401 K409 | Q306-Y346 HydrophobicContact CB-CE2 4.05Å; Q306-Y346 HydrophobicContact CG-CE2 4.32Å; N332-Y346 WeakPolarHBondContact OD1-CA 3.41Å; N332-Y346 VanDerWaalsContact OD1-CD2 3.31Å; N332-Y346 WeakPolarHBondContact OD1-CD2 3.35Å; Y346-I348 PolarHBondContact O-N 2.72Å; Y346-N351 PolarHBondContact O-ND2 3.23Å; Y346-N358 PolarHBondContact N-O 3.35Å; Y346-N358 WeakPolarHBondContact O-CB 3.5Å; Y346-N358 PolarHBondContact O-ND2 3.48Å; Y346-L360 HydrophobicContact CD2-CD1 4.31Å; Y346-L360 HydrophobicContact CG-CD1 4.28Å; Y346-W401 HydrophobicContact CD2-CH2 4.09Å; Y346-W401 HydrophobicContact CD2-CZ3 4.37Å; Y346-W401 AromaticContact CE2-CH2 3.74Å; Y346-W401 HydrophobicContact CE2-CH2 3.74Å; Y346-W401 HydrophobicContact CE2-CZ2 4.24Å; Y346-W401 HydrophobicContact CE2-CZ3 4.25Å; Y346-K409 PolarHBondContact OH-O 3.34Å | ||
| 347 | N | 91.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 47.6 | 54.5 | 172.8 | -77.7 | -6.9 | 0 | 0 | 0 | 114 | D330 V331 N332 F349 K350 N351 | D330-N347 WeakPolarHBondContact CA-OD1 3.31Å; D330-N347 WeakPolarHBondContact CB-OD1 3.25Å; D330-N347 PolarHBondContact OD1-ND2 2.73Å; D330-N347 PolarHBondContact OD1-OD1 3.42Å; V331-N347 WeakPolarHBondContact O-CA 3.47Å; V331-N347 PolarHBondContact O-N 2.88Å; N332-N347 PolarHBondContact OD1-N 2.93Å; N347-F349 VanDerWaalsContact C-N 3.33Å; N347-F349 PolarHBondContact O-N 3.33Å; N347-K350 HydrophobicContact CB-CB 4.13Å; N347-K350 PolarHBondContact O-N 3.18Å; N347-N351 PolarHBondContact O-N 2.88Å; N347-N351 PolarHBondContact O-ND2 2.89Å |
| 348 | I | 93.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -43.8 | -168.4 | -65.3 | 161.8 | 0 | 0 | 0 | 111.7 | L276 F290 V331 C333 Y345 Y346 N351 N352 G353 F354 | L276-I348 HydrophobicContact CD2-CB 4.31Å; L276-I348 HydrophobicContact CD2-CD1 3.56Å; L276-I348 HydrophobicContact CD2-CG2 4.12Å; F290-I348 HydrophobicContact CD2-CG2 3.63Å; F290-I348 HydrophobicContact CE2-CG2 4.05Å; F290-I348 HydrophobicContact CG-CG2 4.32Å; V331-I348 PolarHBondContact O-N 3.26Å; C333-I348 HydrophobicContact CB-CD1 3.28Å; Y345-I348 WeakPolarHBondContact O-CG1 3.42Å; Y346-I348 PolarHBondContact O-N 2.72Å; I348-N351 CarbonylContact O-C 3.58Å; I348-N351 PolarHBondContact O-N 2.8Å; I348-N352 PolarHBondContact O-N 3.06Å; I348-G353 PolarHBondContact O-N 2.88Å; I348-F354 HydrophobicContact CD1-CD1 4.19Å; I348-F354 HydrophobicContact CD1-CE1 3.59Å; I348-F354 HydrophobicContact CD1-CZ 4.4Å; I348-F354 HydrophobicContact CG1-CD1 4.32Å; I348-F354 HydrophobicContact CG1-CE1 4.19Å; I348-F354 HydrophobicContact CG2-CD1 4.46Å; I348-F354 HydrophobicContact CG2-CE1 4.39Å |
| 349 | F | 91.1 | Very high | 93.9 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -34.1 | -177.8 | -65 | -87.8 | 0 | 0 | 0 | 112.8 | F264 L276 S278 R288 F290 L327 V331 N347 N351 N352 | F264-F349 AromaticContact CD1-CE2 3.7Å; F264-F349 HydrophobicContact CD1-CE2 3.7Å; F264-F349 AromaticContact CD1-CZ 3.69Å; F264-F349 HydrophobicContact CD1-CZ 3.69Å; F264-F349 HydrophobicContact CE1-CD2 4.12Å; F264-F349 HydrophobicContact CE1-CE1 4.27Å; F264-F349 AromaticContact CE1-CE2 3.33Å; F264-F349 HydrophobicContact CE1-CE2 3.33Å; F264-F349 AromaticContact CE1-CZ 3.44Å; F264-F349 HydrophobicContact CE1-CZ 3.44Å; F264-F349 VanDerWaalsContact CE1-CZ 3.44Å; F264-F349 HydrophobicContact CZ-CE2 4.48Å; L276-F349 HydrophobicContact CD2-CE2 3.72Å; L276-F349 HydrophobicContact CD2-CZ 3.93Å; L276-F349 HydrophobicContact CG-CE2 4.48Å; L276-F349 HydrophobicContact CG-CZ 4.24Å; S278-F349 WeakPolarHBondContact OG-CE1 3.09Å; R288-F349 HydrophobicContact CB-CD1 4.29Å; R288-F349 HydrophobicContact CB-CE1 4.04Å; F290-F349 HydrophobicContact CD2-CE1 4.29Å; F290-F349 AromaticContact CE2-CD1 3.6Å; F290-F349 HydrophobicContact CE2-CD1 3.6Å; F290-F349 AromaticContact CE2-CE1 3.66Å; F290-F349 HydrophobicContact CE2-CE1 3.66Å; F290-F349 HydrophobicContact CE2-CG 4.26Å; F290-F349 HydrophobicContact CE2-CZ 4.37Å; F290-F349 HydrophobicContact CZ-CD1 4.35Å; L327-F349 HydrophobicContact CD2-CD1 3.91Å; L327-F349 HydrophobicContact CD2-CE1 4.16Å; L327-F349 HydrophobicContact CD2-CG 4.27Å; L327-F349 WeakPolarHBondContact O-CB 3.29Å; V331-F349 HydrophobicContact CB-CD2 3.93Å; V331-F349 HydrophobicContact CB-CE2 4.02Å; V331-F349 HydrophobicContact CG1-CD2 4.34Å; V331-F349 HydrophobicContact CG1-CE2 3.92Å; V331-F349 HydrophobicContact CG2-CD2 4.46Å; N347-F349 VanDerWaalsContact C-N 3.33Å; N347-F349 PolarHBondContact O-N 3.33Å; F349-N351 VanDerWaalsContact C-N 3.33Å; F349-N352 PolarHBondContact O-N 2.86Å |
| 350 | K | 88.8 | Confident | 94.1 | Very high | 156 Ų | 156 | 46.1 Ų | 46.1 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -36.7 | 173.5 | -172.7 | 179 | 178.3 | 180 | 0 | 111.3 | N347 N352 | N347-K350 HydrophobicContact CB-CB 4.13Å; N347-K350 PolarHBondContact O-N 3.18Å; K350-N352 VanDerWaalsContact C-N 3.31Å |
| 351 | N | 90 | Very high | 94.2 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 39% | 0.39 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.7 | 177.6 | -71.1 | -70.4 | 0 | 0 | 0 | 113.9 | Y346 N347 I348 F349 G353 N358 | Y346-N351 PolarHBondContact O-ND2 3.23Å; N347-N351 PolarHBondContact O-N 2.88Å; N347-N351 PolarHBondContact O-ND2 2.89Å; I348-N351 CarbonylContact O-C 3.58Å; I348-N351 PolarHBondContact O-N 2.8Å; F349-N351 VanDerWaalsContact C-N 3.33Å; N351-G353 VanDerWaalsContact C-N 3.28Å; N351-G353 PolarHBondContact O-N 3Å; N351-N358 HydrophobicContact CB-CB 4.07Å; N351-N358 WeakPolarHBondContact ND2-CB 3.32Å |
| 352 | N | 91.6 | Very high | 94.2 | Very high | 111 Ų | 111 | 46 Ų | 46 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 38.5 | -177.6 | -163.5 | 50.5 | 0 | 0 | 0 | 114 | F290 I348 F349 K350 | F290-N352 VanDerWaalsContact CE1-O 3.25Å; F290-N352 WeakPolarHBondContact CE1-O 3.19Å; I348-N352 PolarHBondContact O-N 3.06Å; F349-N352 PolarHBondContact O-N 2.86Å; K350-N352 VanDerWaalsContact C-N 3.31Å |
| 353 | G | 93.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 130.5 | -166 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F290 I348 N351 N358 | F290-G353 VanDerWaalsContact CG-CA 3.42Å; I348-G353 PolarHBondContact O-N 2.88Å; N351-G353 VanDerWaalsContact C-N 3.28Å; N351-G353 PolarHBondContact O-N 3Å; G353-N358 PolarHBondContact O-ND2 2.91Å; G353-N358 VanDerWaalsContact O-ND2 3.13Å |
| 354 | F | 96.2 | Very high | 94 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | trans | -83.4 | 125.1 | 174.9 | -56.2 | -67.4 | 0 | 0 | 0 | 109.4 | F274 L276 F290 L292 C333 Y345 I348 | F274-F354 HydrophobicContact CD2-CD2 4.44Å; F274-F354 HydrophobicContact CD2-CE1 4.18Å; F274-F354 AromaticContact CD2-CE2 3.98Å; F274-F354 HydrophobicContact CD2-CE2 3.98Å; F274-F354 AromaticContact CD2-CZ 3.82Å; F274-F354 HydrophobicContact CD2-CZ 3.82Å; F274-F354 AromaticContact CE2-CD1 3.82Å; F274-F354 HydrophobicContact CE2-CD1 3.82Å; F274-F354 AromaticContact CE2-CD2 3.97Å; F274-F354 HydrophobicContact CE2-CD2 3.97Å; F274-F354 AromaticContact CE2-CE1 3.77Å; F274-F354 HydrophobicContact CE2-CE1 3.77Å; F274-F354 AromaticContact CE2-CE2 3.93Å; F274-F354 HydrophobicContact CE2-CE2 3.93Å; F274-F354 AromaticContact CE2-CG 3.9Å; F274-F354 HydrophobicContact CE2-CG 3.9Å; F274-F354 AromaticContact CE2-CZ 3.82Å; F274-F354 HydrophobicContact CE2-CZ 3.82Å; L276-F354 HydrophobicContact CB-CE2 4.22Å; L276-F354 HydrophobicContact CB-CZ 3.63Å; F290-F354 HydrophobicContact CB-CD2 3.82Å; F290-F354 HydrophobicContact CB-CE2 3.81Å; F290-F354 WeakPolarHBondContact O-CE2 3.18Å; L292-F354 HydrophobicContact CB-CB 3.83Å; L292-F354 HydrophobicContact CB-CD2 4.02Å; L292-F354 HydrophobicContact CB-CG 4.19Å; L292-F354 HydrophobicContact CD2-CB 3.72Å; L292-F354 HydrophobicContact CG-CB 4.41Å; C333-F354 HydrophobicContact CB-CE1 4.13Å; Y345-F354 HydrophobicContact CD1-CB 4.06Å; Y345-F354 AromaticContact CD1-CD1 3.85Å; Y345-F354 HydrophobicContact CD1-CD1 3.85Å; Y345-F354 HydrophobicContact CD1-CG 4.46Å; Y345-F354 AromaticContact CD2-CD1 3.69Å; Y345-F354 HydrophobicContact CD2-CD1 3.69Å; Y345-F354 HydrophobicContact CD2-CE1 4.07Å; Y345-F354 HydrophobicContact CE1-CB 4.04Å; Y345-F354 HydrophobicContact CE1-CD1 4.4Å; Y345-F354 HydrophobicContact CE2-CD1 4.25Å; Y345-F354 AromaticContact CG-CD1 3.46Å; Y345-F354 HydrophobicContact CG-CD1 3.46Å; Y345-F354 VanDerWaalsContact CG-CD1 3.46Å; Y345-F354 HydrophobicContact CG-CE1 4.12Å; Y345-F354 HydrophobicContact CG-CG 4.44Å; I348-F354 HydrophobicContact CD1-CD1 4.19Å; I348-F354 HydrophobicContact CD1-CE1 3.59Å; I348-F354 HydrophobicContact CD1-CZ 4.4Å; I348-F354 HydrophobicContact CG1-CD1 4.32Å; I348-F354 HydrophobicContact CG1-CE1 4.19Å; I348-F354 HydrophobicContact CG2-CD1 4.46Å; I348-F354 HydrophobicContact CG2-CE1 4.39Å | ||
| 355 | S | 93.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | trans | -149.4 | 158.8 | -179.8 | -172.2 | 0 | 0 | 0 | 0 | 110.6 | K357 N358 Q359 | S355-K357 PolarHBondContact O-N 2.75Å; S355-K357 PolarHBondContact OG-N 2.87Å; S355-N358 WeakPolarHBondContact CA-OD1 3.26Å; S355-N358 WeakPolarHBondContact CB-OD1 3.3Å; S355-N358 PolarHBondContact N-OD1 3.22Å; S355-N358 PolarHBondContact O-N 3.32Å; S355-N358 PolarHBondContact O-OD1 2.98Å; S355-Q359 WeakPolarHBondContact O-CB 3.22Å; S355-Q359 PolarHBondContact O-N 3.25Å | ||
| 356 | V | 93 | Very high | 93.7 | Very high | 119 Ų | 119 | 59.4 Ų | 59.4 | 72% | 0.721 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -57.8 | -29.8 | 170 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | N358 Q359 | V356-N358 VanDerWaalsContact C-N 3.31Å; V356-N358 PolarHBondContact O-N 2.94Å; V356-Q359 WeakPolarHBondContact O-CB 3.44Å; V356-Q359 PolarHBondContact O-N 3.44Å |
| 357 | K | 91 | Very high | 93.8 | Very high | 195 Ų | 195 | 63.1 Ų | 63.1 | 85% | 0.848 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -68.7 | -26.5 | -177.7 | -66 | -177.6 | -179.7 | 178.7 | 0 | 114.2 | S355 | S355-K357 PolarHBondContact O-N 2.75Å; S355-K357 PolarHBondContact OG-N 2.87Å |
| 358 | N | 93.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -116.9 | 20 | 179.6 | 70.2 | -38.2 | 0 | 0 | 0 | 112.3 | Y345 Y346 N351 G353 S355 V356 | Y345-N358 WeakPolarHBondContact CA-O 2.99Å; Y346-N358 PolarHBondContact N-O 3.35Å; Y346-N358 WeakPolarHBondContact O-CB 3.5Å; Y346-N358 PolarHBondContact O-ND2 3.48Å; N351-N358 HydrophobicContact CB-CB 4.07Å; N351-N358 WeakPolarHBondContact ND2-CB 3.32Å; G353-N358 PolarHBondContact O-ND2 2.91Å; G353-N358 VanDerWaalsContact O-ND2 3.13Å; S355-N358 WeakPolarHBondContact CA-OD1 3.26Å; S355-N358 WeakPolarHBondContact CB-OD1 3.3Å; S355-N358 PolarHBondContact N-OD1 3.22Å; S355-N358 PolarHBondContact O-N 3.32Å; S355-N358 PolarHBondContact O-OD1 2.98Å; V356-N358 VanDerWaalsContact C-N 3.31Å; V356-N358 PolarHBondContact O-N 2.94Å |
| 359 | Q | 95.2 | Very high | 93.8 | Very high | 58 Ų | 58 | 68.9 Ų | 68.9 | 27% | 0.271 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.1 | 178 | -163.7 | 179.5 | 19.1 | 0 | 0 | 109.7 | V343 Y345 S355 V356 | V343-Q359 HydrophobicContact CB-CG 4.43Å; V343-Q359 HydrophobicContact CG1-CG 3.31Å; V343-Q359 HydrophobicContact CG2-CG 4.22Å; Y345-Q359 HydrophobicContact CD1-CB 4.49Å; Y345-Q359 HydrophobicContact CE1-CB 4.21Å; Y345-Q359 HydrophobicContact CE1-CG 3.97Å; S355-Q359 WeakPolarHBondContact O-CB 3.22Å; S355-Q359 PolarHBondContact O-N 3.25Å; V356-Q359 WeakPolarHBondContact O-CB 3.44Å; V356-Q359 PolarHBondContact O-N 3.44Å |
| 360 | L | 96.2 | Very high | 93.9 | Very high | 38 Ų | 38 | 71.2 Ų | 71.2 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 112.4 | 173 | -56.9 | 179.2 | 0 | 0 | 0 | 108.7 | V343 V344 Y346 W401 F413 | V343-L360 WeakPolarHBondContact CA-O 3.17Å; V344-L360 HydrophobicContact CB-CB 4.28Å; V344-L360 PolarHBondContact N-O 2.8Å; V344-L360 PolarHBondContact O-N 3.46Å; Y346-L360 HydrophobicContact CD2-CD1 4.31Å; Y346-L360 HydrophobicContact CG-CD1 4.28Å; L360-W401 HydrophobicContact CD1-CH2 4.04Å; L360-W401 HydrophobicContact CD1-CZ3 3.68Å; L360-F413 HydrophobicContact CD1-CD2 4.46Å |
| 361 | I | 96.9 | Very high | 94.2 | Very high | 89 Ų | 89 | 63.9 Ų | 63.9 | 46% | 0.456 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.4 | 180 | -61.4 | 172.8 | 0 | 0 | 0 | 109 | P341 V343 L363 | P341-I361 HydrophobicContact CB-CG2 3.88Å; P341-I361 HydrophobicContact CG-CG2 4.12Å; V343-I361 HydrophobicContact CG2-CG1 4.35Å; I361-L363 PolarHBondContact O-N 3Å |
| 362 | L | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | trans | -80.3 | 97.7 | 171.7 | -86 | 63.2 | 0 | 0 | 0 | 108.5 | L334 T342 V344 S365 I387 L389 Y399 F413 | L334-L362 HydrophobicContact CD1-CD2 4.3Å; T342-L362 HydrophobicContact CG2-CB 4.48Å; T342-L362 HydrophobicContact CG2-CD2 4Å; T342-L362 PolarHBondContact O-N 2.92Å; V344-L362 HydrophobicContact CB-CD1 4.35Å; V344-L362 HydrophobicContact CG2-CD1 3.69Å; L362-S365 VanDerWaalsContact O-CB 3.26Å; L362-S365 WeakPolarHBondContact O-CB 3.34Å; L362-S365 PolarHBondContact O-N 3.2Å; L362-S365 PolarHBondContact O-OG 3.42Å; L362-I387 HydrophobicContact CD2-CB 4.37Å; L362-I387 HydrophobicContact CD2-CD1 4.08Å; L362-I387 HydrophobicContact CD2-CG2 3.89Å; L362-L389 HydrophobicContact CD2-CD1 4.05Å; L362-Y399 HydrophobicContact CB-CD1 4.26Å; L362-Y399 HydrophobicContact CB-CE1 3.79Å; L362-Y399 HydrophobicContact CB-CE2 4.48Å; L362-Y399 HydrophobicContact CD2-CD1 4.17Å; L362-Y399 HydrophobicContact CD2-CD2 3.87Å; L362-Y399 HydrophobicContact CD2-CE1 4.34Å; L362-Y399 HydrophobicContact CD2-CE2 4.03Å; L362-Y399 HydrophobicContact CD2-CG 3.95Å; L362-Y399 HydrophobicContact CG-CD1 3.92Å; L362-Y399 HydrophobicContact CG-CD2 4.49Å; L362-Y399 HydrophobicContact CG-CE1 3.98Å; L362-Y399 HydrophobicContact CG-CG 4.2Å; L362-F413 HydrophobicContact CD1-CB 4Å; L362-F413 HydrophobicContact CD1-CD2 4.33Å; L362-F413 HydrophobicContact CD1-CG 4.38Å; L362-F413 HydrophobicContact CG-CB 4.1Å | ||
| 363 | L | 95.2 | Very high | 94.5 | Very high | 108 Ų | 108 | 57.2 Ų | 57.2 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 147 | 179.6 | -63.9 | 175.2 | 0 | 0 | 0 | 111.4 | I361 S365 Y399 | I361-L363 PolarHBondContact O-N 3Å; L363-S365 PolarHBondContact O-N 2.86Å; L363-Y399 VanDerWaalsContact O-CE1 3.32Å; L363-Y399 WeakPolarHBondContact O-CE1 2.88Å; L363-Y399 PolarHBondContact O-OH 2.76Å |
| 364 | F | 95.2 | Very high | 94.6 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 48% | 0.478 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 3.9 | -178.4 | -41.4 | -71.1 | 0 | 0 | 0 | 115.8 | T366 D367 L415 | F364-T366 PolarHBondContact O-N 2.76Å; F364-D367 WeakPolarHBondContact CD1-OD2 3.26Å; F364-D367 PolarHBondContact O-N 2.97Å; F364-L415 HydrophobicContact CB-CD2 3.93Å; F364-L415 HydrophobicContact CD2-CB 4.11Å; F364-L415 HydrophobicContact CD2-CD2 3.78Å; F364-L415 HydrophobicContact CG-CD2 4.15Å |
| 365 | S | 95.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.5 | 177.9 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | T342 L362 L363 Y399 | T342-S365 PolarHBondContact N-OG 3.42Å; L362-S365 VanDerWaalsContact O-CB 3.26Å; L362-S365 WeakPolarHBondContact O-CB 3.34Å; L362-S365 PolarHBondContact O-N 3.2Å; L362-S365 PolarHBondContact O-OG 3.42Å; L363-S365 PolarHBondContact O-N 2.86Å; S365-Y399 PolarHBondContact N-OH 3.35Å |
| 366 | T | 94 | Very high | 94.8 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 43% | 0.429 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -6.7 | 178.6 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | P341 F364 F368 | P341-T366 HydrophobicContact CB-CG2 3.97Å; F364-T366 PolarHBondContact O-N 2.76Å; T366-F368 PolarHBondContact O-N 2.89Å |
| 367 | D | 94.9 | Very high | 94.7 | Very high | 97 Ų | 97 | 51.5 Ų | 51.5 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.4 | -168.8 | -70.5 | 15.3 | 0 | 0 | 0 | 112.9 | F364 | F364-D367 WeakPolarHBondContact CD1-OD2 3.26Å; F364-D367 PolarHBondContact O-N 2.97Å |
| 368 | F | 93.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 46.8 | -170.4 | -54 | -74.4 | 0 | 0 | 0 | 112 | T366 T391 G393 R395 L397 | T366-F368 PolarHBondContact O-N 2.89Å; F368-T391 HydrophobicContact CB-CG2 4.31Å; F368-T391 WeakPolarHBondContact O-CB 3.2Å; F368-T391 PolarHBondContact O-OG1 3.41Å; F368-G393 WeakPolarHBondContact O-CA 3.38Å; F368-G393 PolarHBondContact O-N 2.63Å; F368-G393 VanDerWaalsContact O-N 3.12Å; F368-R395 HydrophobicContact CB-CB 4.01Å; F368-R395 HydrophobicContact CB-CG 3.54Å; F368-R395 HydrophobicContact CD1-CG 3.53Å; F368-R395 HydrophobicContact CD2-CB 4.48Å; F368-R395 HydrophobicContact CD2-CG 4.12Å; F368-R395 HydrophobicContact CE1-CG 4.22Å; F368-R395 HydrophobicContact CG-CB 4.15Å; F368-R395 HydrophobicContact CG-CG 3.45Å; F368-R395 VanDerWaalsContact CG-CG 3.45Å; F368-L397 HydrophobicContact CD2-CD1 4.17Å; F368-L397 HydrophobicContact CD2-CD2 3.71Å; F368-L397 HydrophobicContact CD2-CG 4.48Å; F368-L397 HydrophobicContact CE2-CD2 3.79Å |
| 369 | D | 93.4 | Very high | 94.4 | Very high | 85 Ų | 85 | 42.9 Ų | 42.9 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 65.1 | -175.1 | -170.8 | -144.6 | -40.4 | 0 | 0 | 0 | 111.7 | F392 | D369-F392 HydrophobicContact CB-CB 4.2Å; D369-F392 WeakPolarHBondContact OD2-CD1 3.49Å |
| 370 | H | 91.7 | Very high | 93.8 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | trans | -66.3 | 148.4 | -180 | 62.7 | -78.5 | 0 | 0 | 0 | 113 | A338 N372 T391 F392 | A338-H370 WeakPolarHBondContact O-CB 3.44Å; H370-N372 PolarHBondContact CD2-OD1 2.9Å; H370-N372 PolarHBondContact NE2-OD1 3.16Å; H370-N372 VanDerWaalsContact NE2-OD1 3.11Å; H370-T391 WeakPolarHBondContact O-CA 3.45Å; H370-F392 VanDerWaalsContact CE1-CB 3.47Å; H370-F392 WeakPolarHBondContact CE1-CB 3.1Å; H370-F392 AromaticContact CE1-CG 3.59Å; H370-F392 PolarHBondContact O-N 3.24Å | ||
| 371 | V | 96.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.6 | 174.6 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | T299 C336 L389 T391 | T299-V371 VanDerWaalsContact CB-O 3.22Å; T299-V371 WeakPolarHBondContact CB-O 3.49Å; T299-V371 PolarHBondContact OG1-O 2.79Å; C336-V371 HydrophobicContact CB-CB 4.25Å; C336-V371 HydrophobicContact CB-CG1 3.91Å; V371-L389 HydrophobicContact CG1-CB 4.05Å; V371-L389 HydrophobicContact CG1-CD2 4.3Å; V371-L389 HydrophobicContact CG2-CB 4.45Å; V371-L389 HydrophobicContact CG2-CD1 4.16Å; V371-T391 HydrophobicContact CG2-CG2 4.3Å |
| 372 | N | 92.9 | Very high | 92.4 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 17% | 0.166 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -40.9 | -179.3 | -76 | -11.6 | 0 | 0 | 0 | 112.6 | H370 G390 V425 | H370-N372 PolarHBondContact CD2-OD1 2.9Å; H370-N372 PolarHBondContact NE2-OD1 3.16Å; H370-N372 VanDerWaalsContact NE2-OD1 3.11Å; N372-G390 PolarHBondContact N-O 3.14Å; N372-V425 VanDerWaalsContact CB-O 3.24Å; N372-V425 WeakPolarHBondContact CB-O 3.26Å; N372-V425 PolarHBondContact ND2-O 3.42Å |
| 373 | C | 94.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 160.8 | -174 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | G390 F426 | C373-G390 PolarHBondContact N-O 3.34Å; C373-G390 PolarHBondContact O-N 2.82Å; C373-F426 WeakPolarHBondContact CB-O 3.36Å; C373-F426 VanDerWaalsContact SG-C 3.53Å; C373-F426 PolarHBondContact SG-O 2.88Å |
| 374 | A | 96.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 148.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | L334 I388 L389 | L334-A374 HydrophobicContact CD2-CB 3.56Å; A374-I388 CarbonylContact C-O 3.53Å; A374-I388 VanDerWaalsContact CA-O 3.27Å; A374-I388 WeakPolarHBondContact CA-O 3.12Å; A374-L389 HydrophobicContact CB-CD2 3.71Å |
| 375 | S | 95.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.9 | 169.8 | -167 | 0 | 0 | 0 | 0 | 109.5 | I388 I428 S429 P430 | S375-I388 PolarHBondContact N-O 3.29Å; S375-I388 PolarHBondContact O-N 3.24Å; S375-I428 VanDerWaalsContact CB-CG2 3.47Å; S375-S429 WeakPolarHBondContact CB-O 3.47Å; S375-S429 PolarHBondContact OG-O 3.34Å; S375-P430 WeakPolarHBondContact OG-CA 3.41Å |
| 376 | V | 96.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 33 Ų | 33 | 15% | 0.152 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 113.6 | -176.8 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | K302 F304 L334 N385 E386 I387 | K302-V376 HydrophobicContact CB-CG2 4.03Å; K302-V376 HydrophobicContact CG-CG2 4.38Å; F304-V376 HydrophobicContact CB-CB 4.36Å; F304-V376 HydrophobicContact CB-CG1 3.66Å; F304-V376 HydrophobicContact CD1-CG1 3.89Å; F304-V376 HydrophobicContact CD1-CG2 4.49Å; F304-V376 HydrophobicContact CD2-CG1 3.57Å; F304-V376 HydrophobicContact CE1-CG1 4.39Å; F304-V376 HydrophobicContact CE2-CG1 4.1Å; F304-V376 HydrophobicContact CG-CB 4.41Å; F304-V376 HydrophobicContact CG-CG1 3.45Å; F304-V376 VanDerWaalsContact CG-CG1 3.45Å; F304-V376 HydrophobicContact CZ-CG1 4.47Å; L334-V376 HydrophobicContact CD2-CG2 3.58Å; V376-N385 HydrophobicContact CG1-CB 4Å; V376-E386 WeakPolarHBondContact CA-O 3.24Å; V376-I387 HydrophobicContact CG1-CG1 4.22Å; V376-I387 HydrophobicContact CG2-CG1 4.14Å |
| 377 | D | 92.9 | Very high | 91.3 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 22% | 0.219 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 169.3 | -175.9 | -140.7 | -28.7 | 0 | 0 | 0 | 110.6 | F379 N385 E386 A431 | D377-F379 HydrophobicContact CB-CD1 4.49Å; D377-F379 HydrophobicContact CB-CD2 4.14Å; D377-F379 HydrophobicContact CB-CE1 4.07Å; D377-F379 HydrophobicContact CB-CE2 3.7Å; D377-F379 HydrophobicContact CB-CZ 3.66Å; D377-F379 VanDerWaalsContact O-CD2 3.3Å; D377-F379 WeakPolarHBondContact O-CD2 3.3Å; D377-F379 PolarHBondContact O-N 3.42Å; D377-F379 VanDerWaalsContact O-N 3.16Å; D377-N385 WeakPolarHBondContact O-CA 3.41Å; D377-E386 PolarHBondContact N-O 2.84Å; D377-E386 PolarHBondContact O-N 3.37Å; D377-A431 HydrophobicContact CB-CB 4Å; D377-A431 VanDerWaalsContact OD2-CB 3.29Å; D377-A431 WeakPolarHBondContact OD2-CB 3.3Å; D377-A431 PolarHBondContact OD2-N 3.12Å |
| 378 | D | 88.9 | Confident | 91.4 | Very high | 21 Ų | 21 | 25.1 Ų | 25.1 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | trans | -84.6 | 79.5 | 174.6 | -178.8 | 9.2 | 0 | 0 | 0 | 109.4 | N380 L381 D382 G383 N385 | D378-N380 PolarHBondContact OD1-OD1 3.03Å; D378-L381 VanDerWaalsContact CG-CA 3.48Å; D378-L381 WeakPolarHBondContact OD1-CA 3.14Å; D378-L381 PolarHBondContact OD1-N 2.64Å; D378-D382 PolarHBondContact OD1-N 2.8Å; D378-G383 PolarHBondContact OD1-N 2.86Å; D378-G383 WeakPolarHBondContact OD2-CA 3.43Å; D378-G383 PolarHBondContact OD2-N 2.91Å; D378-N385 PolarHBondContact N-OD1 2.78Å; D378-N385 VanDerWaalsContact N-OD1 3.12Å | ||
| 379 | F | 88.2 | Confident | 91.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -78.2 | -26.4 | -172.9 | -70.7 | -71.9 | 0 | 0 | 0 | 112.5 | Y9 D377 E386 I388 Y398 A431 L442 H455 | Y9-F379 PolarHBondContact OH-O 3.43Å; D377-F379 HydrophobicContact CB-CD1 4.49Å; D377-F379 HydrophobicContact CB-CD2 4.14Å; D377-F379 HydrophobicContact CB-CE1 4.07Å; D377-F379 HydrophobicContact CB-CE2 3.7Å; D377-F379 HydrophobicContact CB-CZ 3.66Å; D377-F379 VanDerWaalsContact O-CD2 3.3Å; D377-F379 WeakPolarHBondContact O-CD2 3.3Å; D377-F379 PolarHBondContact O-N 3.42Å; D377-F379 VanDerWaalsContact O-N 3.16Å; F379-E386 HydrophobicContact CD2-CB 4.07Å; F379-E386 PolarHBondContact N-OE2 3.17Å; F379-I388 HydrophobicContact CD1-CD1 4.14Å; F379-I388 HydrophobicContact CD2-CD1 3.69Å; F379-I388 HydrophobicContact CD2-CG1 3.88Å; F379-I388 HydrophobicContact CE1-CD1 4.05Å; F379-I388 HydrophobicContact CE2-CD1 3.58Å; F379-I388 HydrophobicContact CE2-CG1 3.62Å; F379-I388 HydrophobicContact CG-CD1 3.98Å; F379-I388 HydrophobicContact CZ-CD1 3.77Å; F379-I388 HydrophobicContact CZ-CG1 4.18Å; F379-Y398 HydrophobicContact CB-CE2 4.15Å; F379-A431 HydrophobicContact CD1-CB 3.92Å; F379-A431 HydrophobicContact CE1-CB 3.77Å; F379-L442 HydrophobicContact CE1-CD1 3.75Å; F379-L442 HydrophobicContact CZ-CD1 4.15Å; F379-H455 PolarHBondContact O-CE1 2.79Å; F379-H455 PolarHBondContact O-NE2 2.93Å |
| 380 | N | 83.8 | Confident | 91.8 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -96.8 | 0.9 | 176.6 | 70.5 | 25 | 0 | 0 | 0 | 113.2 | L4 D378 D382 E386 E400 R467 | L4-N380 HydrophobicContact CB-CB 4.06Å; L4-N380 WeakPolarHBondContact O-CA 3.4Å; L4-N380 WeakPolarHBondContact O-CB 3.44Å; D378-N380 PolarHBondContact OD1-OD1 3.03Å; N380-D382 VanDerWaalsContact C-N 3.27Å; N380-D382 PolarHBondContact O-N 3.49Å; N380-D382 WeakPolarHBondContact OD1-CB 3.47Å; N380-D382 PolarHBondContact OD1-N 3.33Å; N380-D382 PolarHBondContact OD1-OD1 3.44Å; N380-E386 VanDerWaalsContact CG-OE1 3.23Å; N380-E386 PolarHBondContact N-OE2 3.09Å; N380-E386 VanDerWaalsContact N-OE2 3.12Å; N380-E386 VanDerWaalsContact ND2-CD 3.3Å; N380-E386 PolarHBondContact ND2-OE1 3.23Å; N380-E386 PolarHBondContact OD1-OE1 2.96Å; N380-E400 PolarHBondContact ND2-OE1 3.02Å; N380-R467 PolarHBondContact O-NH2 2.93Å |
| 381 | L | 80.5 | Confident | 92 | Very high | 59 Ų | 59 | 16.3 Ų | 16.3 | 31% | 0.309 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 64.7 | 17.9 | -179.7 | -53.5 | 171.7 | 0 | 0 | 0 | 114 | D378 G383 L440 R467 | D378-L381 VanDerWaalsContact CG-CA 3.48Å; D378-L381 WeakPolarHBondContact OD1-CA 3.14Å; D378-L381 PolarHBondContact OD1-N 2.64Å; L381-G383 VanDerWaalsContact C-N 3.26Å; L381-G383 PolarHBondContact O-N 2.91Å; L381-L440 HydrophobicContact CD2-CD1 3.77Å; L381-L440 HydrophobicContact CD2-CG 4.38Å; L381-R467 VanDerWaalsContact C-NH2 3.3Å; L381-R467 VanDerWaalsContact O-CZ 3.26Å; L381-R467 PolarHBondContact O-NH1 3.06Å; L381-R467 PolarHBondContact O-NH2 3.32Å |
| 382 | D | 82.3 | Confident | 91.9 | Very high | 61 Ų | 61 | 20.4 Ų | 20.4 | 33% | 0.326 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -80.4 | 0 | -177.9 | 91.2 | -11.2 | 0 | 0 | 0 | 114.7 | D378 N380 K384 | D378-D382 PolarHBondContact OD1-N 2.8Å; N380-D382 VanDerWaalsContact C-N 3.27Å; N380-D382 PolarHBondContact O-N 3.49Å; N380-D382 WeakPolarHBondContact OD1-CB 3.47Å; N380-D382 PolarHBondContact OD1-N 3.33Å; N380-D382 PolarHBondContact OD1-OD1 3.44Å; D382-K384 VanDerWaalsContact C-N 3.33Å; D382-K384 WeakPolarHBondContact OD1-CA 3.4Å; D382-K384 WeakPolarHBondContact OD1-CB 3.3Å; D382-K384 WeakPolarHBondContact OD1-CG 3.5Å; D382-K384 PolarHBondContact OD1-N 2.88Å; D382-K384 IonicContact OD2-NZ 3.56Å; D382-K384 PolarHBondContact OD2-NZ 3.4Å |
| 383 | G | 83.8 | Confident | 92.1 | Very high | 14 Ų | 14 | 20.2 Ų | 20.2 | 14% | 0.144 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 86.9 | 0.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | N308 D378 L381 | N308-G383 PolarHBondContact N-O 3.12Å; D378-G383 PolarHBondContact OD1-N 2.86Å; D378-G383 WeakPolarHBondContact OD2-CA 3.43Å; D378-G383 PolarHBondContact OD2-N 2.91Å; L381-G383 VanDerWaalsContact C-N 3.26Å; L381-G383 PolarHBondContact O-N 2.91Å |
| 384 | K | 88.5 | Confident | 92.1 | Very high | 56 Ų | 56 | 23.4 Ų | 23.4 | 24% | 0.243 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -109.8 | 141.9 | 173.7 | -54.1 | 166.3 | -168.3 | 152.7 | 0 | 108.7 | Q306 F307 D382 W401 | Q306-K384 WeakPolarHBondContact O-CA 3.18Å; F307-K384 HydrophobicContact CD1-CG 3.94Å; F307-K384 HydrophobicContact CE1-CD 4.4Å; F307-K384 HydrophobicContact CE1-CG 3.99Å; D382-K384 VanDerWaalsContact C-N 3.33Å; D382-K384 WeakPolarHBondContact OD1-CA 3.4Å; D382-K384 WeakPolarHBondContact OD1-CB 3.3Å; D382-K384 WeakPolarHBondContact OD1-CG 3.5Å; D382-K384 PolarHBondContact OD1-N 2.88Å; D382-K384 IonicContact OD2-NZ 3.56Å; D382-K384 PolarHBondContact OD2-NZ 3.4Å; K384-W401 HydrophobicContact CD-CB 4.39Å |
| 385 | N | 92.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | trans | -80.2 | 130 | 176.1 | -69 | -33.5 | 0 | 0 | 0 | 110.5 | F304 Q305 Q306 N308 V376 D377 D378 | F304-N385 HydrophobicContact CD2-CB 4.16Å; Q305-N385 PolarHBondContact O-ND2 3.3Å; Q306-N385 PolarHBondContact NE2-O 2.72Å; Q306-N385 VanDerWaalsContact NE2-O 3.17Å; Q306-N385 PolarHBondContact O-N 2.89Å; Q306-N385 VanDerWaalsContact O-N 3.07Å; N308-N385 PolarHBondContact ND2-OD1 3.16Å; N308-N385 PolarHBondContact OD1-ND2 3.12Å; V376-N385 HydrophobicContact CG1-CB 4Å; D377-N385 WeakPolarHBondContact O-CA 3.41Å; D378-N385 PolarHBondContact N-OD1 2.78Å; D378-N385 VanDerWaalsContact N-OD1 3.12Å | ||
| 386 | E | 94.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 164.1 | 167.3 | -71.3 | 86.8 | -144.4 | 0 | 0 | 111.8 | V376 D377 F379 N380 Y398 Y399 E400 | V376-E386 WeakPolarHBondContact CA-O 3.24Å; D377-E386 PolarHBondContact N-O 2.84Å; D377-E386 PolarHBondContact O-N 3.37Å; F379-E386 HydrophobicContact CD2-CB 4.07Å; F379-E386 PolarHBondContact N-OE2 3.17Å; N380-E386 VanDerWaalsContact CG-OE1 3.23Å; N380-E386 PolarHBondContact N-OE2 3.09Å; N380-E386 VanDerWaalsContact N-OE2 3.12Å; N380-E386 VanDerWaalsContact ND2-CD 3.3Å; N380-E386 PolarHBondContact ND2-OE1 3.23Å; N380-E386 PolarHBondContact OD1-OE1 2.96Å; E386-Y398 HydrophobicContact CB-CE2 3.97Å; E386-Y398 HydrophobicContact CG-CE2 4.1Å; E386-Y398 WeakPolarHBondContact CG-OH 3.35Å; E386-Y399 WeakPolarHBondContact CA-O 3.37Å; E386-Y399 VanDerWaalsContact CB-O 3.32Å; E386-Y399 WeakPolarHBondContact CB-O 3.18Å; E386-E400 HydrophobicContact CG-CB 4.44Å; E386-E400 HydrophobicContact CG-CG 3.89Å |
| 387 | I | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.6 | 179.4 | -60 | 170.1 | 0 | 0 | 0 | 108.8 | F304 L334 V344 L362 V376 L389 Y399 F413 | F304-I387 HydrophobicContact CZ-CD1 4.2Å; L334-I387 HydrophobicContact CD1-CD1 4.18Å; L334-I387 HydrophobicContact CD1-CG2 4.32Å; L334-I387 HydrophobicContact CD2-CG2 3.7Å; V344-I387 HydrophobicContact CG2-CD1 3.49Å; V344-I387 VanDerWaalsContact CG2-CD1 3.49Å; L362-I387 HydrophobicContact CD2-CB 4.37Å; L362-I387 HydrophobicContact CD2-CD1 4.08Å; L362-I387 HydrophobicContact CD2-CG2 3.89Å; V376-I387 HydrophobicContact CG1-CG1 4.22Å; V376-I387 HydrophobicContact CG2-CG1 4.14Å; I387-L389 HydrophobicContact CG2-CD2 3.56Å; I387-L389 HydrophobicContact CG2-CG 4.17Å; I387-Y399 PolarHBondContact N-O 3.21Å; I387-Y399 VanDerWaalsContact N-O 3.08Å; I387-Y399 PolarHBondContact O-N 3.05Å; I387-F413 HydrophobicContact CD1-CD1 3.74Å; I387-F413 HydrophobicContact CD1-CD2 4.06Å; I387-F413 HydrophobicContact CD1-CE1 3.51Å; I387-F413 HydrophobicContact CD1-CE2 3.86Å; I387-F413 HydrophobicContact CD1-CG 3.98Å; I387-F413 HydrophobicContact CD1-CZ 3.56Å; I387-F413 HydrophobicContact CG1-CD1 4.2Å; I387-F413 HydrophobicContact CG1-CE1 3.82Å; I387-F413 HydrophobicContact CG1-CZ 4.2Å |
| 388 | I | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.7 | 171.3 | -50 | -171.8 | 0 | 0 | 0 | 108.7 | L6 A374 S375 F379 L396 L397 Y398 I428 L442 | L6-I388 HydrophobicContact CD1-CD1 4.43Å; A374-I388 CarbonylContact C-O 3.53Å; A374-I388 VanDerWaalsContact CA-O 3.27Å; A374-I388 WeakPolarHBondContact CA-O 3.12Å; S375-I388 PolarHBondContact N-O 3.29Å; S375-I388 PolarHBondContact O-N 3.24Å; F379-I388 HydrophobicContact CD1-CD1 4.14Å; F379-I388 HydrophobicContact CD2-CD1 3.69Å; F379-I388 HydrophobicContact CD2-CG1 3.88Å; F379-I388 HydrophobicContact CE1-CD1 4.05Å; F379-I388 HydrophobicContact CE2-CD1 3.58Å; F379-I388 HydrophobicContact CE2-CG1 3.62Å; F379-I388 HydrophobicContact CG-CD1 3.98Å; F379-I388 HydrophobicContact CZ-CD1 3.77Å; F379-I388 HydrophobicContact CZ-CG1 4.18Å; I388-L396 HydrophobicContact CG2-CB 4.48Å; I388-L396 HydrophobicContact CG2-CD2 4.21Å; I388-L397 CarbonylContact C-O 3.59Å; I388-L397 VanDerWaalsContact CA-O 3.3Å; I388-L397 WeakPolarHBondContact CA-O 3.37Å; I388-Y398 HydrophobicContact CD1-CD2 3.98Å; I388-Y398 HydrophobicContact CD1-CE2 4.45Å; I388-Y398 HydrophobicContact CG1-CD2 3.83Å; I388-Y398 HydrophobicContact CG1-CE2 4.47Å; I388-I428 HydrophobicContact CG2-CD1 3.94Å; I388-L442 HydrophobicContact CD1-CD1 4.27Å; I388-L442 HydrophobicContact CD1-CD2 3.8Å |
| 389 | L | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.5 | 174.2 | -50.1 | -177.7 | 0 | 0 | 0 | 110.1 | L334 T342 L362 V371 A374 I387 L396 L397 Y399 | L334-L389 HydrophobicContact CD2-CD2 4.3Å; T342-L389 HydrophobicContact CG2-CD1 3.99Å; T342-L389 HydrophobicContact CG2-CD2 4.08Å; L362-L389 HydrophobicContact CD2-CD1 4.05Å; V371-L389 HydrophobicContact CG1-CB 4.05Å; V371-L389 HydrophobicContact CG1-CD2 4.3Å; V371-L389 HydrophobicContact CG2-CB 4.45Å; V371-L389 HydrophobicContact CG2-CD1 4.16Å; A374-L389 HydrophobicContact CB-CD2 3.71Å; I387-L389 HydrophobicContact CG2-CD2 3.56Å; I387-L389 HydrophobicContact CG2-CG 4.17Å; L389-L396 CarbonylContact O-C 3.54Å; L389-L396 VanDerWaalsContact O-CA 3.3Å; L389-L396 WeakPolarHBondContact O-CA 3.41Å; L389-L397 HydrophobicContact CB-CB 4.19Å; L389-L397 PolarHBondContact N-O 2.74Å; L389-L397 PolarHBondContact O-N 3.25Å; L389-Y399 HydrophobicContact CD1-CD2 4.41Å; L389-Y399 HydrophobicContact CD1-CE2 3.66Å; L389-Y399 HydrophobicContact CG-CD2 4.36Å; L389-Y399 HydrophobicContact CG-CE2 3.98Å |
| 390 | G | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | N372 C373 | N372-G390 PolarHBondContact N-O 3.14Å; C373-G390 PolarHBondContact N-O 3.34Å; C373-G390 PolarHBondContact O-N 2.82Å |
| 391 | T | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 156.7 | -176 | 82 | 0 | 0 | 0 | 0 | 112.8 | F368 H370 V371 G393 Q394 R395 L397 V425 | F368-T391 HydrophobicContact CB-CG2 4.31Å; F368-T391 WeakPolarHBondContact O-CB 3.2Å; F368-T391 PolarHBondContact O-OG1 3.41Å; H370-T391 WeakPolarHBondContact O-CA 3.45Å; V371-T391 HydrophobicContact CG2-CG2 4.3Å; T391-G393 PolarHBondContact O-N 3.26Å; T391-G393 PolarHBondContact OG1-N 3.25Å; T391-Q394 PolarHBondContact O-N 3.27Å; T391-R395 HydrophobicContact CG2-CB 4.33Å; T391-R395 PolarHBondContact N-O 2.79Å; T391-R395 PolarHBondContact OG1-N 3.39Å; T391-L397 HydrophobicContact CG2-CD1 4.05Å; T391-L397 HydrophobicContact CG2-CG 4.35Å; T391-V425 PolarHBondContact O-N 2.94Å; T391-V425 VanDerWaalsContact O-N 3.09Å |
| 392 | F | 94.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 25.4 Ų | 25.4 | 39% | 0.386 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -32.5 | 169.9 | -172.3 | -94.9 | 0 | 0 | 0 | 111.6 | D369 H370 Q394 P424 | D369-F392 HydrophobicContact CB-CB 4.2Å; D369-F392 WeakPolarHBondContact OD2-CD1 3.49Å; H370-F392 VanDerWaalsContact CE1-CB 3.47Å; H370-F392 WeakPolarHBondContact CE1-CB 3.1Å; H370-F392 AromaticContact CE1-CG 3.59Å; H370-F392 PolarHBondContact O-N 3.24Å; F392-Q394 PolarHBondContact O-N 3.38Å; F392-P424 HydrophobicContact CD2-CB 3.87Å; F392-P424 HydrophobicContact CD2-CG 4.16Å; F392-P424 HydrophobicContact CE2-CB 4.1Å; F392-P424 HydrophobicContact CE2-CG 4Å; F392-P424 HydrophobicContact CG-CB 4.35Å; F392-P424 HydrophobicContact CZ-CG 4.24Å; F392-P424 WeakPolarHBondContact O-CA 3.41Å; F392-P424 WeakPolarHBondContact O-CB 3.44Å; F392-P424 WeakPolarHBondContact O-CG 3.3Å |
| 393 | G | 95.6 | Very high | 94.2 | Very high | 28 Ų | 28 | 24.3 Ų | 24.3 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 24.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | F368 T391 R395 | F368-G393 WeakPolarHBondContact O-CA 3.38Å; F368-G393 PolarHBondContact O-N 2.63Å; F368-G393 VanDerWaalsContact O-N 3.12Å; T391-G393 PolarHBondContact O-N 3.26Å; T391-G393 PolarHBondContact OG1-N 3.25Å; G393-R395 VanDerWaalsContact C-N 3.34Å; G393-R395 PolarHBondContact O-N 2.98Å |
| 394 | Q | 95.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 25.9 Ų | 25.9 | 37% | 0.374 | 13% | 0.132 | S | C | . | . | S | Bend | trans | 64.6 | 33.7 | 169.5 | -34.5 | -177.1 | 9.1 | 0 | 0 | 113.7 | T391 F392 L421 | T391-Q394 PolarHBondContact O-N 3.27Å; F392-Q394 PolarHBondContact O-N 3.38Å; Q394-L421 WeakPolarHBondContact CB-O 3.4Å; Q394-L421 PolarHBondContact O-N 3.41Å; Q394-L421 PolarHBondContact OE1-O 2.99Å |
| 395 | R | 96.5 | Very high | 93.7 | Very high | 71 Ų | 71 | 31.4 Ų | 31.4 | 27% | 0.268 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 141.8 | 177.8 | -62 | -60.3 | -175.3 | -161.9 | -10.3 | 112.7 | F368 T391 G393 L397 R419 S420 | F368-R395 HydrophobicContact CB-CB 4.01Å; F368-R395 HydrophobicContact CB-CG 3.54Å; F368-R395 HydrophobicContact CD1-CG 3.53Å; F368-R395 HydrophobicContact CD2-CB 4.48Å; F368-R395 HydrophobicContact CD2-CG 4.12Å; F368-R395 HydrophobicContact CE1-CG 4.22Å; F368-R395 HydrophobicContact CG-CB 4.15Å; F368-R395 HydrophobicContact CG-CG 3.45Å; F368-R395 VanDerWaalsContact CG-CG 3.45Å; T391-R395 HydrophobicContact CG2-CB 4.33Å; T391-R395 PolarHBondContact N-O 2.79Å; T391-R395 PolarHBondContact OG1-N 3.39Å; G393-R395 VanDerWaalsContact C-N 3.34Å; G393-R395 PolarHBondContact O-N 2.98Å; R395-L397 HydrophobicContact CB-CD2 4.14Å; R395-L397 HydrophobicContact CB-CG 4.5Å; R395-R419 WeakPolarHBondContact CA-O 2.94Å; R395-S420 PolarHBondContact NH1-OG 2.92Å |
| 396 | L | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.4 | 154 | -64.1 | 177 | 0 | 0 | 0 | 108.8 | L6 I388 L389 Q418 R419 L421 V425 I428 V444 F453 | L6-L396 HydrophobicContact CD2-CB 3.93Å; L6-L396 HydrophobicContact CD2-CD1 4.3Å; I388-L396 HydrophobicContact CG2-CB 4.48Å; I388-L396 HydrophobicContact CG2-CD2 4.21Å; L389-L396 CarbonylContact O-C 3.54Å; L389-L396 VanDerWaalsContact O-CA 3.3Å; L389-L396 WeakPolarHBondContact O-CA 3.41Å; L396-Q418 CarbonylContact O-C 3.54Å; L396-Q418 WeakPolarHBondContact O-CA 2.95Å; L396-R419 HydrophobicContact CB-CB 4.12Å; L396-R419 PolarHBondContact N-O 2.89Å; L396-R419 PolarHBondContact O-N 3.43Å; L396-L421 HydrophobicContact CD1-CD1 3.84Å; L396-L421 HydrophobicContact CD1-CG 4.39Å; L396-L421 HydrophobicContact CD2-CD1 4.05Å; L396-L421 HydrophobicContact CG-CD1 3.6Å; L396-L421 HydrophobicContact CG-CG 4.25Å; L396-V425 HydrophobicContact CD2-CG1 4.16Å; L396-V425 HydrophobicContact CD2-CG2 4.26Å; L396-I428 HydrophobicContact CD2-CD1 3.74Å; L396-I428 HydrophobicContact CD2-CG1 4.27Å; L396-V444 HydrophobicContact CD1-CG1 4.49Å; L396-V444 HydrophobicContact CD1-CG2 4.06Å; L396-V444 HydrophobicContact CD2-CG1 4.04Å; L396-V444 HydrophobicContact CD2-CG2 4.43Å; L396-F453 HydrophobicContact CD1-CE2 4.4Å |
| 397 | L | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 122.3 | 176 | -53.8 | 177.7 | 0 | 0 | 0 | 108.9 | F368 I388 L389 T391 R395 Y399 L415 Q418 | F368-L397 HydrophobicContact CD2-CD1 4.17Å; F368-L397 HydrophobicContact CD2-CD2 3.71Å; F368-L397 HydrophobicContact CD2-CG 4.48Å; F368-L397 HydrophobicContact CE2-CD2 3.79Å; I388-L397 CarbonylContact C-O 3.59Å; I388-L397 VanDerWaalsContact CA-O 3.3Å; I388-L397 WeakPolarHBondContact CA-O 3.37Å; L389-L397 HydrophobicContact CB-CB 4.19Å; L389-L397 PolarHBondContact N-O 2.74Å; L389-L397 PolarHBondContact O-N 3.25Å; T391-L397 HydrophobicContact CG2-CD1 4.05Å; T391-L397 HydrophobicContact CG2-CG 4.35Å; R395-L397 HydrophobicContact CB-CD2 4.14Å; R395-L397 HydrophobicContact CB-CG 4.5Å; L397-Y399 HydrophobicContact CB-CD2 4.38Å; L397-Y399 HydrophobicContact CB-CE2 3.6Å; L397-Y399 HydrophobicContact CD1-CE2 4.49Å; L397-L415 HydrophobicContact CB-CD1 3.81Å; L397-L415 HydrophobicContact CD2-CD1 4.25Å; L397-Q418 HydrophobicContact CD2-CB 3.89Å |
| 398 | Y | 95.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.1 | -175 | 176.9 | -93.1 | 0 | 0 | 0 | 110.7 | L6 F379 E386 I388 E400 K416 F417 | L6-Y398 HydrophobicContact CB-CD1 4.14Å; L6-Y398 HydrophobicContact CB-CD2 3.65Å; L6-Y398 HydrophobicContact CB-CE2 4.32Å; L6-Y398 HydrophobicContact CB-CG 3.56Å; F379-Y398 HydrophobicContact CB-CE2 4.15Å; E386-Y398 HydrophobicContact CB-CE2 3.97Å; E386-Y398 HydrophobicContact CG-CE2 4.1Å; E386-Y398 WeakPolarHBondContact CG-OH 3.35Å; I388-Y398 HydrophobicContact CD1-CD2 3.98Å; I388-Y398 HydrophobicContact CD1-CE2 4.45Å; I388-Y398 HydrophobicContact CG1-CD2 3.83Å; I388-Y398 HydrophobicContact CG1-CE2 4.47Å; Y398-E400 HydrophobicContact CD1-CG 4.18Å; Y398-E400 HydrophobicContact CE1-CG 3.35Å; Y398-E400 VanDerWaalsContact CE1-OE1 3.3Å; Y398-E400 WeakPolarHBondContact CE1-OE1 3.16Å; Y398-E400 PolarHBondContact OH-OE1 2.86Å; Y398-K416 HydrophobicContact CD1-CB 4.13Å; Y398-K416 HydrophobicContact CE1-CB 4.47Å; Y398-K416 PolarHBondContact O-N 2.87Å; Y398-F417 HydrophobicContact CD1-CB 4.48Å; Y398-F417 PolarHBondContact N-O 2.81Å; Y398-F417 PolarHBondContact O-N 2.86Å |
| 399 | Y | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.4 | -177.2 | -64.2 | -99.3 | 0 | 0 | 0 | 111.2 | L362 L363 S365 E386 I387 L389 L397 F413 I414 L415 | L362-Y399 HydrophobicContact CB-CD1 4.26Å; L362-Y399 HydrophobicContact CB-CE1 3.79Å; L362-Y399 HydrophobicContact CB-CE2 4.48Å; L362-Y399 HydrophobicContact CD2-CD1 4.17Å; L362-Y399 HydrophobicContact CD2-CD2 3.87Å; L362-Y399 HydrophobicContact CD2-CE1 4.34Å; L362-Y399 HydrophobicContact CD2-CE2 4.03Å; L362-Y399 HydrophobicContact CD2-CG 3.95Å; L362-Y399 HydrophobicContact CG-CD1 3.92Å; L362-Y399 HydrophobicContact CG-CD2 4.49Å; L362-Y399 HydrophobicContact CG-CE1 3.98Å; L362-Y399 HydrophobicContact CG-CG 4.2Å; L363-Y399 VanDerWaalsContact O-CE1 3.32Å; L363-Y399 WeakPolarHBondContact O-CE1 2.88Å; L363-Y399 PolarHBondContact O-OH 2.76Å; S365-Y399 PolarHBondContact N-OH 3.35Å; E386-Y399 WeakPolarHBondContact CA-O 3.37Å; E386-Y399 VanDerWaalsContact CB-O 3.32Å; E386-Y399 WeakPolarHBondContact CB-O 3.18Å; I387-Y399 PolarHBondContact N-O 3.21Å; I387-Y399 VanDerWaalsContact N-O 3.08Å; I387-Y399 PolarHBondContact O-N 3.05Å; L389-Y399 HydrophobicContact CD1-CD2 4.41Å; L389-Y399 HydrophobicContact CD1-CE2 3.66Å; L389-Y399 HydrophobicContact CG-CD2 4.36Å; L389-Y399 HydrophobicContact CG-CE2 3.98Å; L397-Y399 HydrophobicContact CB-CD2 4.38Å; L397-Y399 HydrophobicContact CB-CE2 3.6Å; L397-Y399 HydrophobicContact CD1-CE2 4.49Å; Y399-F413 HydrophobicContact CD1-CB 4.33Å; Y399-I414 VanDerWaalsContact CA-O 3.29Å; Y399-I414 WeakPolarHBondContact CA-O 2.98Å; Y399-L415 HydrophobicContact CD1-CB 4.06Å; Y399-L415 VanDerWaalsContact CD1-N 3.35Å; Y399-L415 HydrophobicContact CD2-CD1 4.37Å; Y399-L415 HydrophobicContact CE1-CB 3.7Å; Y399-L415 HydrophobicContact CE1-CD1 4.22Å; Y399-L415 HydrophobicContact CE2-CD1 3.98Å |
| 400 | E | 93.9 | Very high | 88.7 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 151.4 | 172.9 | -65 | -173.1 | 161.9 | 0 | 0 | 111.2 | S3 N380 E386 Y398 E402 F413 I414 K416 | S3-E400 PolarHBondContact OG-OE1 3.23Å; S3-E400 PolarHBondContact OG-OE2 3.47Å; N380-E400 PolarHBondContact ND2-OE1 3.02Å; E386-E400 HydrophobicContact CG-CB 4.44Å; E386-E400 HydrophobicContact CG-CG 3.89Å; Y398-E400 HydrophobicContact CD1-CG 4.18Å; Y398-E400 HydrophobicContact CE1-CG 3.35Å; Y398-E400 VanDerWaalsContact CE1-OE1 3.3Å; Y398-E400 WeakPolarHBondContact CE1-OE1 3.16Å; Y398-E400 PolarHBondContact OH-OE1 2.86Å; E400-E402 PolarHBondContact O-N 3.47Å; E400-F413 WeakPolarHBondContact O-CA 3.08Å; E400-I414 PolarHBondContact N-O 3.42Å; E400-I414 PolarHBondContact O-N 2.71Å; E400-K416 HydrophobicContact CB-CG 3.74Å; E400-K416 HydrophobicContact CG-CB 4.37Å; E400-K416 HydrophobicContact CG-CG 3.63Å; E400-K416 WeakPolarHBondContact OE2-CG 3.44Å |
| 401 | W | 92.9 | Very high | 88.3 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 114.4 | 172.7 | -178.2 | -104.2 | 0 | 0 | 0 | 111.2 | Q306 F307 Y346 L360 K384 S403 P408 G411 F413 | Q306-W401 HydrophobicContact CG-CD2 4.16Å; Q306-W401 HydrophobicContact CG-CG 4.35Å; F307-W401 AromaticContact CZ-NE1 3.87Å; Y346-W401 HydrophobicContact CD2-CH2 4.09Å; Y346-W401 HydrophobicContact CD2-CZ3 4.37Å; Y346-W401 AromaticContact CE2-CH2 3.74Å; Y346-W401 HydrophobicContact CE2-CH2 3.74Å; Y346-W401 HydrophobicContact CE2-CZ2 4.24Å; Y346-W401 HydrophobicContact CE2-CZ3 4.25Å; L360-W401 HydrophobicContact CD1-CH2 4.04Å; L360-W401 HydrophobicContact CD1-CZ3 3.68Å; K384-W401 HydrophobicContact CD-CB 4.39Å; W401-S403 PolarHBondContact NE1-OG 2.82Å; W401-P408 PolarHBondContact NE1-O 2.86Å; W401-G411 WeakPolarHBondContact CH2-O 3.04Å; W401-G411 VanDerWaalsContact CZ2-N 3.28Å; W401-F413 HydrophobicContact CB-CE1 4.42Å; W401-F413 HydrophobicContact CE3-CD1 4.48Å; W401-F413 AromaticContact CE3-CD2 3.92Å; W401-F413 HydrophobicContact CE3-CD2 3.92Å; W401-F413 HydrophobicContact CE3-CE1 4.26Å; W401-F413 AromaticContact CE3-CE2 3.66Å; W401-F413 HydrophobicContact CE3-CE2 3.66Å; W401-F413 HydrophobicContact CE3-CG 4.34Å; W401-F413 AromaticContact CE3-CZ 3.87Å; W401-F413 HydrophobicContact CE3-CZ 3.87Å; W401-F413 HydrophobicContact CZ3-CD2 4.04Å; W401-F413 AromaticContact CZ3-CE2 3.79Å; W401-F413 HydrophobicContact CZ3-CE2 3.79Å; W401-F413 HydrophobicContact CZ3-CZ 4.4Å |
| 402 | E | 91.2 | Very high | 88.2 | Confident | 89 Ų | 89 | 60.7 Ų | 60.7 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 110.9 | 169.3 | -168.5 | 167.4 | -83.8 | 0 | 0 | 109.9 | E400 G411 Q412 I414 K416 | E400-E402 PolarHBondContact O-N 3.47Å; E402-G411 CarbonylContact O-C 3.57Å; E402-G411 WeakPolarHBondContact O-CA 3.18Å; E402-Q412 PolarHBondContact N-O 3.32Å; E402-Q412 PolarHBondContact O-N 3.27Å; E402-I414 HydrophobicContact CB-CD1 3.52Å; E402-I414 HydrophobicContact CB-CG1 4.03Å; E402-I414 HydrophobicContact CG-CD1 3.97Å; E402-I414 WeakPolarHBondContact OE1-CD1 3.44Å; E402-I414 WeakPolarHBondContact OE2-CD1 3.38Å; E402-K416 IonicContact OE1-NZ 3.72Å; E402-K416 PolarHBondContact OE1-NZ 3.45Å |
| 403 | S | 88.5 | Confident | 88.2 | Confident | 38 Ų | 38 | 57 Ų | 57 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 141.8 | 176.9 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | W401 P408 | W401-S403 PolarHBondContact NE1-OG 2.82Å; S403-P408 PolarHBondContact OG-O 2.84Å |
| 404 | S | 83.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 57.7 Ų | 57.7 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | trans | -70 | 147.7 | 173.3 | 79.8 | 0 | 0 | 0 | 0 | 110.7 | M406 D407 N410 | S404-M406 PolarHBondContact O-N 3.23Å; S404-M406 VanDerWaalsContact O-N 3.11Å; S404-D407 CarbonylContact O-C 3.59Å; S404-D407 PolarHBondContact OG-N 3.24Å; S404-D407 PolarHBondContact OG-O 2.92Å; S404-N410 VanDerWaalsContact CB-O 3.22Å; S404-N410 WeakPolarHBondContact CB-O 3.34Å; S404-N410 PolarHBondContact N-O 3.24Å; S404-N410 PolarHBondContact OG-O 3.46Å; S404-N410 VanDerWaalsContact OG-O 3.14Å | ||
| 405 | N | 79 | Confident | 88.2 | Confident | 173 Ų | 173 | 55.8 Ų | 55.8 | 93% | 0.925 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -61.1 | -21.7 | 178.3 | -68.1 | -19.9 | 0 | 0 | 0 | 113.7 | ||
| 406 | M | 76.4 | Confident | 88.1 | Confident | 183 Ų | 183 | 56.6 Ų | 56.6 | 90% | 0.901 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -94.6 | -32.8 | -172.2 | -59.3 | -68.6 | -80.6 | 0 | 0 | 112.7 | S404 | S404-M406 PolarHBondContact O-N 3.23Å; S404-M406 VanDerWaalsContact O-N 3.11Å |
| 407 | D | 73.2 | Confident | 87.9 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | trans | -148.7 | 119.6 | 178.2 | -179.9 | -1.2 | 0 | 0 | 0 | 109.2 | S404 K409 N410 | S404-D407 CarbonylContact O-C 3.59Å; S404-D407 PolarHBondContact OG-N 3.24Å; S404-D407 PolarHBondContact OG-O 2.92Å; D407-K409 PolarHBondContact O-N 3.34Å; D407-K409 VanDerWaalsContact O-N 3.16Å; D407-K409 WeakPolarHBondContact OD1-CB 3.46Å; D407-K409 PolarHBondContact OD1-N 2.93Å; D407-N410 HydrophobicContact CB-CB 4.22Å; D407-N410 WeakPolarHBondContact CB-ND2 3.02Å; D407-N410 PolarHBondContact O-N 2.92Å; D407-N410 PolarHBondContact OD2-ND2 3.33Å | ||
| 408 | P | 68.8 | Low | 87.7 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23 | 178.4 | 23.4 | -32.2 | 0 | 0 | 0 | 113.6 | W401 S403 | W401-P408 PolarHBondContact NE1-O 2.86Å; S403-P408 PolarHBondContact OG-O 2.84Å |
| 409 | K | 71.9 | Confident | 87.6 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15.8 | 177 | -60 | -164.8 | 177.4 | -161.8 | 0 | 113.2 | F307 D311 Y346 D407 | F307-K409 HydrophobicContact CE2-CG 4.34Å; D311-K409 IonicContact OD2-NZ 2.8Å; Y346-K409 PolarHBondContact OH-O 3.34Å; D407-K409 PolarHBondContact O-N 3.34Å; D407-K409 VanDerWaalsContact O-N 3.16Å; D407-K409 WeakPolarHBondContact OD1-CB 3.46Å; D407-K409 PolarHBondContact OD1-N 2.93Å |
| 410 | N | 82 | Confident | 87.5 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -98.9 | 132.6 | 171.3 | -63.6 | -39.8 | 0 | 0 | 0 | 108.8 | S404 D407 | S404-N410 VanDerWaalsContact CB-O 3.22Å; S404-N410 WeakPolarHBondContact CB-O 3.34Å; S404-N410 PolarHBondContact N-O 3.24Å; S404-N410 PolarHBondContact OG-O 3.46Å; S404-N410 VanDerWaalsContact OG-O 3.14Å; D407-N410 HydrophobicContact CB-CB 4.22Å; D407-N410 WeakPolarHBondContact CB-ND2 3.02Å; D407-N410 PolarHBondContact O-N 2.92Å; D407-N410 PolarHBondContact OD2-ND2 3.33Å |
| 411 | G | 90 | Very high | 87.6 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176 | -172 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W401 E402 | W401-G411 WeakPolarHBondContact CH2-O 3.04Å; W401-G411 VanDerWaalsContact CZ2-N 3.28Å; E402-G411 CarbonylContact O-C 3.57Å; E402-G411 WeakPolarHBondContact O-CA 3.18Å |
| 412 | Q | 92.7 | Very high | 87.5 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 156.6 | 179.4 | 62.3 | -178 | 5.8 | 0 | 0 | 110.5 | E402 I414 | E402-Q412 PolarHBondContact N-O 3.32Å; E402-Q412 PolarHBondContact O-N 3.27Å; Q412-I414 HydrophobicContact CG-CD1 4.18Å; Q412-I414 HydrophobicContact CG-CG1 3.89Å |
| 413 | F | 95.8 | Very high | 87.5 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.039 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 123.8 | 171.2 | -76 | -80 | 0 | 0 | 0 | 109.9 | F304 V344 L360 L362 I387 Y399 E400 W401 | F304-F413 AromaticContact CE2-CZ 3.99Å; F304-F413 HydrophobicContact CE2-CZ 3.99Å; F304-F413 HydrophobicContact CZ-CE2 4.27Å; F304-F413 AromaticContact CZ-CZ 3.98Å; F304-F413 HydrophobicContact CZ-CZ 3.98Å; V344-F413 HydrophobicContact CB-CD2 4.38Å; V344-F413 HydrophobicContact CB-CE2 4.24Å; V344-F413 HydrophobicContact CG1-CE2 4.05Å; V344-F413 HydrophobicContact CG2-CD2 4.06Å; V344-F413 HydrophobicContact CG2-CE2 3.94Å; L360-F413 HydrophobicContact CD1-CD2 4.46Å; L362-F413 HydrophobicContact CD1-CB 4Å; L362-F413 HydrophobicContact CD1-CD2 4.33Å; L362-F413 HydrophobicContact CD1-CG 4.38Å; L362-F413 HydrophobicContact CG-CB 4.1Å; I387-F413 HydrophobicContact CD1-CD1 3.74Å; I387-F413 HydrophobicContact CD1-CD2 4.06Å; I387-F413 HydrophobicContact CD1-CE1 3.51Å; I387-F413 HydrophobicContact CD1-CE2 3.86Å; I387-F413 HydrophobicContact CD1-CG 3.98Å; I387-F413 HydrophobicContact CD1-CZ 3.56Å; I387-F413 HydrophobicContact CG1-CD1 4.2Å; I387-F413 HydrophobicContact CG1-CE1 3.82Å; I387-F413 HydrophobicContact CG1-CZ 4.2Å; Y399-F413 HydrophobicContact CD1-CB 4.33Å; E400-F413 WeakPolarHBondContact O-CA 3.08Å; W401-F413 HydrophobicContact CB-CE1 4.42Å; W401-F413 HydrophobicContact CE3-CD1 4.48Å; W401-F413 AromaticContact CE3-CD2 3.92Å; W401-F413 HydrophobicContact CE3-CD2 3.92Å; W401-F413 HydrophobicContact CE3-CE1 4.26Å; W401-F413 AromaticContact CE3-CE2 3.66Å; W401-F413 HydrophobicContact CE3-CE2 3.66Å; W401-F413 HydrophobicContact CE3-CG 4.34Å; W401-F413 AromaticContact CE3-CZ 3.87Å; W401-F413 HydrophobicContact CE3-CZ 3.87Å; W401-F413 HydrophobicContact CZ3-CD2 4.04Å; W401-F413 AromaticContact CZ3-CE2 3.79Å; W401-F413 HydrophobicContact CZ3-CE2 3.79Å; W401-F413 HydrophobicContact CZ3-CZ 4.4Å |
| 414 | I | 95.2 | Very high | 87.7 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130.1 | -179.3 | -57 | -174.2 | 0 | 0 | 0 | 109.1 | Y399 E400 E402 Q412 K416 | Y399-I414 VanDerWaalsContact CA-O 3.29Å; Y399-I414 WeakPolarHBondContact CA-O 2.98Å; E400-I414 PolarHBondContact N-O 3.42Å; E400-I414 PolarHBondContact O-N 2.71Å; E402-I414 HydrophobicContact CB-CD1 3.52Å; E402-I414 HydrophobicContact CB-CG1 4.03Å; E402-I414 HydrophobicContact CG-CD1 3.97Å; E402-I414 WeakPolarHBondContact OE1-CD1 3.44Å; E402-I414 WeakPolarHBondContact OE2-CD1 3.38Å; Q412-I414 HydrophobicContact CG-CD1 4.18Å; Q412-I414 HydrophobicContact CG-CG1 3.89Å; I414-K416 HydrophobicContact CG2-CD 4.42Å; I414-K416 PolarHBondContact O-N 2.8Å |
| 415 | L | 95.6 | Very high | 88.2 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 109.4 | 171.3 | -177.8 | 67 | 0 | 0 | 0 | 108.9 | F364 L397 Y399 F417 | F364-L415 HydrophobicContact CB-CD2 3.93Å; F364-L415 HydrophobicContact CD2-CB 4.11Å; F364-L415 HydrophobicContact CD2-CD2 3.78Å; F364-L415 HydrophobicContact CG-CD2 4.15Å; L397-L415 HydrophobicContact CB-CD1 3.81Å; L397-L415 HydrophobicContact CD2-CD1 4.25Å; Y399-L415 HydrophobicContact CD1-CB 4.06Å; Y399-L415 VanDerWaalsContact CD1-N 3.35Å; Y399-L415 HydrophobicContact CD2-CD1 4.37Å; Y399-L415 HydrophobicContact CE1-CB 3.7Å; Y399-L415 HydrophobicContact CE1-CD1 4.22Å; Y399-L415 HydrophobicContact CE2-CD1 3.98Å; L415-F417 WeakPolarHBondContact CD1-O 3.44Å |
| 416 | K | 93.6 | Very high | 88.8 | Confident | 88 Ų | 88 | 57.5 Ų | 57.5 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -33 | 177.7 | -63.8 | -62.8 | -171.8 | -176.1 | 0 | 112 | Y398 E400 E402 I414 | Y398-K416 HydrophobicContact CD1-CB 4.13Å; Y398-K416 HydrophobicContact CE1-CB 4.47Å; Y398-K416 PolarHBondContact O-N 2.87Å; E400-K416 HydrophobicContact CB-CG 3.74Å; E400-K416 HydrophobicContact CG-CB 4.37Å; E400-K416 HydrophobicContact CG-CG 3.63Å; E400-K416 WeakPolarHBondContact OE2-CG 3.44Å; E402-K416 IonicContact OE1-NZ 3.72Å; E402-K416 PolarHBondContact OE1-NZ 3.45Å; I414-K416 HydrophobicContact CG2-CD 4.42Å; I414-K416 PolarHBondContact O-N 2.8Å |
| 417 | F | 91.5 | Very high | 89.5 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 25% | 0.25 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 152 | -176.7 | -175.5 | -102.1 | 0 | 0 | 0 | 112.1 | L6 Q7 Y398 L415 R419 | L6-F417 HydrophobicContact CB-CB 4.4Å; L6-F417 HydrophobicContact CB-CD1 3.62Å; L6-F417 HydrophobicContact CB-CE1 4.28Å; L6-F417 HydrophobicContact CB-CG 4.35Å; L6-F417 HydrophobicContact CD2-CD1 3.84Å; L6-F417 HydrophobicContact CD2-CE1 4.25Å; L6-F417 HydrophobicContact CG-CD1 3.76Å; L6-F417 HydrophobicContact CG-CE1 4.04Å; Q7-F417 HydrophobicContact CB-CD2 3.81Å; Q7-F417 HydrophobicContact CB-CE2 3.87Å; Q7-F417 HydrophobicContact CB-CG 4.29Å; Q7-F417 HydrophobicContact CB-CZ 4.37Å; Y398-F417 HydrophobicContact CD1-CB 4.48Å; Y398-F417 PolarHBondContact N-O 2.81Å; Y398-F417 PolarHBondContact O-N 2.86Å; L415-F417 WeakPolarHBondContact CD1-O 3.44Å; F417-R419 HydrophobicContact CE1-CB 3.77Å; F417-R419 HydrophobicContact CE1-CG 4.19Å; F417-R419 HydrophobicContact CZ-CB 4.49Å |
| 418 | Q | 93.1 | Very high | 90.6 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.3 | 170.2 | 64.3 | 179.9 | 9.5 | 0 | 0 | 110.3 | L396 L397 | L396-Q418 CarbonylContact O-C 3.54Å; L396-Q418 WeakPolarHBondContact O-CA 2.95Å; L397-Q418 HydrophobicContact CD2-CB 3.89Å |
| 419 | R | 94 | Very high | 91.7 | Very high | 58 Ų | 58 | 44 Ų | 44 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.7 | 177.1 | -157.6 | 176.6 | 173.3 | 120.2 | -1.4 | 110.9 | Y9 R395 L396 F417 | Y9-R419 PolarHBondContact O-NH1 3.37Å; R395-R419 WeakPolarHBondContact CA-O 2.94Å; L396-R419 HydrophobicContact CB-CB 4.12Å; L396-R419 PolarHBondContact N-O 2.89Å; L396-R419 PolarHBondContact O-N 3.43Å; F417-R419 HydrophobicContact CE1-CB 3.77Å; F417-R419 HydrophobicContact CE1-CG 4.19Å; F417-R419 HydrophobicContact CZ-CB 4.49Å |
| 420 | S | 95 | Very high | 92.6 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 51% | 0.51 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 136.2 | 165 | -146.2 | 0 | 0 | 0 | 0 | 110.2 | R395 | R395-S420 PolarHBondContact NH1-OG 2.92Å |
| 421 | L | 94.6 | Very high | 93 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -117 | 162.3 | 168.1 | -68.1 | -179.9 | 0 | 0 | 0 | 110.3 | Q394 L396 G423 V425 V444 T446 F453 | Q394-L421 WeakPolarHBondContact CB-O 3.4Å; Q394-L421 PolarHBondContact O-N 3.41Å; Q394-L421 PolarHBondContact OE1-O 2.99Å; L396-L421 HydrophobicContact CD1-CD1 3.84Å; L396-L421 HydrophobicContact CD1-CG 4.39Å; L396-L421 HydrophobicContact CD2-CD1 4.05Å; L396-L421 HydrophobicContact CG-CD1 3.6Å; L396-L421 HydrophobicContact CG-CG 4.25Å; L421-G423 PolarHBondContact O-N 3.2Å; L421-V425 HydrophobicContact CD1-CG2 3.7Å; L421-V444 HydrophobicContact CD1-CG1 3.69Å; L421-T446 HydrophobicContact CB-CG2 4.16Å; L421-T446 HydrophobicContact CD1-CG2 3.84Å; L421-F453 HydrophobicContact CD2-CE2 4.39Å; L421-F453 HydrophobicContact CD2-CZ 3.76Å | ||
| 422 | P | 91.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 43% | 0.429 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -77.6 | 0.2 | -175.9 | 29.8 | -34.7 | 0 | 0 | 0 | 114.5 | R448 H451 | P422-R448 HydrophobicContact CB-CB 4.34Å; P422-R448 HydrophobicContact CB-CG 4.16Å; P422-R448 HydrophobicContact CG-CB 4.1Å; P422-R448 HydrophobicContact CG-CG 4.43Å; P422-R448 WeakPolarHBondContact O-CG 3.35Å; P422-H451 VanDerWaalsContact CG-CE1 3.49Å; P422-H451 WeakPolarHBondContact CG-CE1 3.35Å |
| 423 | G | 91.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -166.6 | 171.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L421 V425 | L421-G423 PolarHBondContact O-N 3.2Å; G423-V425 PolarHBondContact O-N 3.26Å |
| 424 | P | 92.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | trans | -48.8 | 136.8 | 174.4 | -30.7 | 29.9 | 0 | 0 | 0 | 112.8 | F392 F426 T446 S447 | F392-P424 HydrophobicContact CD2-CB 3.87Å; F392-P424 HydrophobicContact CD2-CG 4.16Å; F392-P424 HydrophobicContact CE2-CB 4.1Å; F392-P424 HydrophobicContact CE2-CG 4Å; F392-P424 HydrophobicContact CG-CB 4.35Å; F392-P424 HydrophobicContact CZ-CG 4.24Å; F392-P424 WeakPolarHBondContact O-CA 3.41Å; F392-P424 WeakPolarHBondContact O-CB 3.44Å; F392-P424 WeakPolarHBondContact O-CG 3.3Å; P424-F426 HydrophobicContact CB-CE1 4.42Å; P424-F426 HydrophobicContact CB-CZ 4.45Å; P424-T446 WeakPolarHBondContact O-CA 3.32Å; P424-T446 VanDerWaalsContact O-CB 3.32Å; P424-T446 WeakPolarHBondContact O-CB 3.42Å; P424-S447 VanDerWaalsContact CD-OG 3.26Å; P424-S447 WeakPolarHBondContact CD-OG 3.42Å; P424-S447 PolarHBondContact O-N 2.98Å; P424-S447 VanDerWaalsContact O-N 3.1Å | ||
| 425 | V | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126.4 | 179 | -169.4 | 0 | 0 | 0 | 0 | 109.3 | N372 T391 L396 L421 G423 I428 V444 T446 | N372-V425 VanDerWaalsContact CB-O 3.24Å; N372-V425 WeakPolarHBondContact CB-O 3.26Å; N372-V425 PolarHBondContact ND2-O 3.42Å; T391-V425 PolarHBondContact O-N 2.94Å; T391-V425 VanDerWaalsContact O-N 3.09Å; L396-V425 HydrophobicContact CD2-CG1 4.16Å; L396-V425 HydrophobicContact CD2-CG2 4.26Å; L421-V425 HydrophobicContact CD1-CG2 3.7Å; G423-V425 PolarHBondContact O-N 3.26Å; V425-I428 HydrophobicContact CG1-CD1 4.31Å; V425-I428 HydrophobicContact CG1-CG1 3.99Å; V425-V444 HydrophobicContact CG1-CG1 3.68Å; V425-T446 HydrophobicContact CG2-CG2 4.45Å |
| 426 | F | 91.4 | Very high | 90.8 | Very high | 37 Ų | 37 | 31 Ų | 31 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -37 | -178.4 | -67.6 | -49.5 | 0 | 0 | 0 | 113.1 | N22 V23 F24 C373 P424 L445 | N22-F426 HydrophobicContact CB-CE2 4.07Å; N22-F426 HydrophobicContact CB-CZ 4.25Å; V23-F426 VanDerWaalsContact O-CD2 3.26Å; V23-F426 WeakPolarHBondContact O-CD2 3.45Å; F24-F426 HydrophobicContact CD1-CD1 4.08Å; F24-F426 HydrophobicContact CD1-CD2 4.24Å; F24-F426 HydrophobicContact CD1-CE1 4.09Å; F24-F426 HydrophobicContact CD1-CE2 4.2Å; F24-F426 HydrophobicContact CD1-CG 4.17Å; F24-F426 HydrophobicContact CD1-CZ 4.14Å; F24-F426 HydrophobicContact CE1-CD1 4.37Å; F24-F426 AromaticContact CE1-CE1 3.95Å; F24-F426 HydrophobicContact CE1-CE1 3.95Å; F24-F426 HydrophobicContact CE1-CE2 4.4Å; F24-F426 AromaticContact CE1-CZ 3.95Å; F24-F426 HydrophobicContact CE1-CZ 3.95Å; C373-F426 WeakPolarHBondContact CB-O 3.36Å; C373-F426 VanDerWaalsContact SG-C 3.53Å; C373-F426 PolarHBondContact SG-O 2.88Å; P424-F426 HydrophobicContact CB-CE1 4.42Å; P424-F426 HydrophobicContact CB-CZ 4.45Å; F426-L445 PolarHBondContact N-O 3.1Å |
| 427 | C | 92.5 | Very high | 89.9 | Confident | 30 Ų | 30 | 32.2 Ų | 32.2 | 20% | 0.203 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 147.6 | -178.8 | -165.7 | 0 | 0 | 0 | 0 | 110.9 | L26 L445 | L26-C427 HydrophobicContact CB-CB 4.13Å; C427-L445 HydrophobicContact CB-CB 4.09Å; C427-L445 HydrophobicContact CB-CD2 4.36Å; C427-L445 PolarHBondContact N-O 3.11Å; C427-L445 PolarHBondContact O-N 2.96Å |
| 428 | I | 94.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.1 | 174.5 | -58.6 | 169.8 | 0 | 0 | 0 | 106.5 | S375 I388 L396 V425 L442 V444 | S375-I428 VanDerWaalsContact CB-CG2 3.47Å; I388-I428 HydrophobicContact CG2-CD1 3.94Å; L396-I428 HydrophobicContact CD2-CD1 3.74Å; L396-I428 HydrophobicContact CD2-CG1 4.27Å; V425-I428 HydrophobicContact CG1-CD1 4.31Å; V425-I428 HydrophobicContact CG1-CG1 3.99Å; I428-L442 HydrophobicContact CG2-CD1 3.42Å; I428-L442 VanDerWaalsContact CG2-CD1 3.42Å; I428-L442 HydrophobicContact CG2-CG 4.25Å; I428-V444 HydrophobicContact CG1-CG1 4.39Å; I428-V444 HydrophobicContact CG2-CG2 4.45Å |
| 429 | S | 93 | Very high | 88.5 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | trans | -69.7 | 160.3 | 175.4 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | S375 A443 | S375-S429 WeakPolarHBondContact CB-O 3.47Å; S375-S429 PolarHBondContact OG-O 3.34Å; S429-A443 PolarHBondContact N-O 2.95Å; S429-A443 PolarHBondContact OG-N 3.3Å; S429-A443 PolarHBondContact OG-O 3.03Å | ||
| 430 | P | 91.3 | Very high | 88.1 | Confident | 43 Ų | 43 | 27.6 Ų | 27.6 | 28% | 0.279 | 17% | 0.173 | S | C | . | . | trans | -60.1 | 176 | 156.4 | 29.6 | -35.2 | 0 | 0 | 0 | 110.6 | F28 S375 L432 | F28-P430 HydrophobicContact CE1-CG 3.72Å; F28-P430 HydrophobicContact CE2-CG 4.39Å; F28-P430 HydrophobicContact CZ-CG 3.6Å; S375-P430 WeakPolarHBondContact OG-CA 3.41Å; P430-L432 HydrophobicContact CG-CD2 3.98Å; P430-L432 HydrophobicContact CG-CG 4.28Å; P430-L432 PolarHBondContact O-N 3.46Å | ||
| 431 | A | 89.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 12% | 0.116 | 15% | 0.149 | C | C | . | . | trans | -70.3 | 115.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | D377 F379 L440 | D377-A431 HydrophobicContact CB-CB 4Å; D377-A431 VanDerWaalsContact OD2-CB 3.29Å; D377-A431 WeakPolarHBondContact OD2-CB 3.3Å; D377-A431 PolarHBondContact OD2-N 3.12Å; F379-A431 HydrophobicContact CD1-CB 3.92Å; F379-A431 HydrophobicContact CE1-CB 3.77Å; A431-L440 HydrophobicContact CB-CB 3.9Å; A431-L440 HydrophobicContact CB-CD1 3.58Å; A431-L440 HydrophobicContact CB-CG 4.25Å | ||
| 432 | L | 89 | Confident | 87.7 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -118.4 | 131.7 | -173.6 | -65.8 | 175.6 | 0 | 0 | 0 | 111 | F28 Y44 P430 L434 S441 | F28-L432 HydrophobicContact CB-CD1 3.9Å; F28-L432 HydrophobicContact CD1-CD1 4.06Å; F28-L432 HydrophobicContact CD2-CD1 4.36Å; F28-L432 HydrophobicContact CD2-CD2 3.92Å; F28-L432 HydrophobicContact CE2-CD2 4.09Å; F28-L432 HydrophobicContact CG-CD1 3.84Å; F28-L432 HydrophobicContact CG-CD2 4.24Å; Y44-L432 HydrophobicContact CD1-CD2 4.29Å; Y44-L432 HydrophobicContact CD2-CB 4.42Å; Y44-L432 HydrophobicContact CD2-CD2 3.95Å; Y44-L432 HydrophobicContact CE2-CD2 4.26Å; Y44-L432 HydrophobicContact CG-CD2 3.96Å; P430-L432 HydrophobicContact CG-CD2 3.98Å; P430-L432 HydrophobicContact CG-CG 4.28Å; P430-L432 PolarHBondContact O-N 3.46Å; L432-L434 HydrophobicContact CB-CD2 3.93Å; L432-L434 HydrophobicContact CB-CG 4.38Å; L432-L434 HydrophobicContact CD1-CD2 4.28Å; L432-L434 PolarHBondContact O-N 2.82Å; L432-S441 PolarHBondContact N-O 3.41Å; L432-S441 PolarHBondContact O-N 2.83Å |
| 433 | D | 87.5 | Confident | 87.7 | Confident | 25 Ų | 25 | 20.8 Ų | 20.8 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | trans | -79.9 | 98.2 | 164.6 | -170 | -5.1 | 0 | 0 | 0 | 109 | T43 Y44 I435 G436 E437 G438 L440 | T43-D433 VanDerWaalsContact CA-O 3.31Å; T43-D433 WeakPolarHBondContact CA-O 3.26Å; Y44-D433 PolarHBondContact N-O 3.48Å; D433-I435 VanDerWaalsContact C-N 3.3Å; D433-I435 PolarHBondContact OD1-N 2.84Å; D433-G436 VanDerWaalsContact CG-CA 3.49Å; D433-G436 VanDerWaalsContact CG-N 3.32Å; D433-G436 WeakPolarHBondContact OD1-CA 3.35Å; D433-G436 PolarHBondContact OD1-N 3.11Å; D433-G436 VanDerWaalsContact OD2-C 3.28Å; D433-G436 WeakPolarHBondContact OD2-CA 3.36Å; D433-E437 PolarHBondContact OD1-N 3.07Å; D433-E437 PolarHBondContact OD2-N 2.98Å; D433-G438 WeakPolarHBondContact OD2-CA 3.25Å; D433-G438 PolarHBondContact OD2-N 3.47Å; D433-L440 HydrophobicContact CB-CD2 4.17Å | ||
| 434 | L | 86.3 | Confident | 87.9 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -78 | -17.3 | -177.2 | -62.4 | 177.9 | 0 | 0 | 0 | 112.7 | Y44 I46 F69 L432 I452 | Y44-L434 WeakPolarHBondContact O-CD2 3.08Å; I46-L434 HydrophobicContact CD1-CD1 3.99Å; I46-L434 HydrophobicContact CD1-CD2 3.93Å; I46-L434 HydrophobicContact CG1-CD2 3.9Å; F69-L434 HydrophobicContact CB-CB 4.48Å; F69-L434 HydrophobicContact CD2-CB 3.89Å; F69-L434 HydrophobicContact CD2-CD1 4.12Å; F69-L434 HydrophobicContact CD2-CD2 4.48Å; F69-L434 HydrophobicContact CD2-CG 4.38Å; F69-L434 HydrophobicContact CE2-CB 4.5Å; F69-L434 HydrophobicContact CE2-CD1 3.92Å; F69-L434 HydrophobicContact CE2-CD2 4.46Å; F69-L434 HydrophobicContact CG-CB 4.29Å; F69-L434 HydrophobicContact CZ-CD1 4.33Å; L432-L434 HydrophobicContact CB-CD2 3.93Å; L432-L434 HydrophobicContact CB-CG 4.38Å; L432-L434 HydrophobicContact CD1-CD2 4.28Å; L432-L434 PolarHBondContact O-N 2.82Å; L434-I452 HydrophobicContact CD1-CD1 4.38Å; L434-I452 HydrophobicContact CD1-CG2 3.73Å |
| 435 | I | 81.8 | Confident | 87.8 | Confident | 17 Ų | 17 | 19.8 Ų | 19.8 | 9% | 0.087 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -124.5 | -18 | -165 | -48.1 | 172 | 0 | 0 | 0 | 111.4 | T43 F69 V71 I76 D433 E437 | T43-I435 VanDerWaalsContact CG2-C 3.46Å; F69-I435 HydrophobicContact CB-CG1 4.17Å; V71-I435 HydrophobicContact CG2-CG2 3.15Å; I76-I435 HydrophobicContact CB-CD1 4.2Å; I76-I435 HydrophobicContact CD1-CD1 3.26Å; I76-I435 HydrophobicContact CG1-CD1 3.61Å; I76-I435 HydrophobicContact CG2-CD1 3.54Å; I76-I435 HydrophobicContact CG2-CG1 4.22Å; D433-I435 VanDerWaalsContact C-N 3.3Å; D433-I435 PolarHBondContact OD1-N 2.84Å; I435-E437 HydrophobicContact CG2-CG 4.09Å |
| 436 | G | 78.7 | Confident | 87.8 | Confident | 8 Ų | 8 | 19.8 Ų | 19.8 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 82.2 | 18 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R41 D433 | R41-G436 WeakPolarHBondContact CD-O 3.22Å; R41-G436 WeakPolarHBondContact CG-O 3.16Å; R41-G436 PolarHBondContact NE-O 3.33Å; D433-G436 VanDerWaalsContact CG-CA 3.49Å; D433-G436 VanDerWaalsContact CG-N 3.32Å; D433-G436 WeakPolarHBondContact OD1-CA 3.35Å; D433-G436 PolarHBondContact OD1-N 3.11Å; D433-G436 VanDerWaalsContact OD2-C 3.28Å; D433-G436 WeakPolarHBondContact OD2-CA 3.36Å |
| 437 | E | 76.3 | Confident | 87.5 | Confident | 112 Ų | 112 | 19.6 Ų | 19.6 | 52% | 0.523 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -95.2 | -7.6 | -179.8 | -62.9 | -159.5 | 146 | 0 | 0 | 112.7 | D433 I435 P439 | D433-E437 PolarHBondContact OD1-N 3.07Å; D433-E437 PolarHBondContact OD2-N 2.98Å; I435-E437 HydrophobicContact CG2-CG 4.09Å; E437-P439 WeakPolarHBondContact O-CD 3.44Å |
| 438 | G | 77 | Confident | 87.3 | Confident | 45 Ų | 45 | 25.7 Ų | 25.7 | 46% | 0.464 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 104.8 | -41 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D433 L440 | D433-G438 WeakPolarHBondContact OD2-CA 3.25Å; D433-G438 PolarHBondContact OD2-N 3.47Å; G438-L440 PolarHBondContact O-N 3.33Å |
| 439 | P | 78.1 | Confident | 87 | Confident | 24 Ų | 24 | 25.2 Ų | 25.2 | 16% | 0.156 | 14% | 0.141 | C | C | . | . | trans | -61.3 | 124.5 | 177.5 | -21.5 | 30.4 | 0 | 0 | 0 | 111.6 | E437 L460 | E437-P439 WeakPolarHBondContact O-CD 3.44Å; P439-L460 HydrophobicContact CB-CD2 3.86Å; P439-L460 HydrophobicContact CG-CD2 3.7Å | ||
| 440 | L | 84.8 | Confident | 86.9 | Confident | 37 Ų | 37 | 25.4 Ų | 25.4 | 19% | 0.194 | 14% | 0.141 | C | C | . | . | trans | -77.4 | 142.9 | 176.4 | -53.6 | 178.6 | 0 | 0 | 0 | 110.3 | L381 A431 D433 G438 | L381-L440 HydrophobicContact CD2-CD1 3.77Å; L381-L440 HydrophobicContact CD2-CG 4.38Å; A431-L440 HydrophobicContact CB-CB 3.9Å; A431-L440 HydrophobicContact CB-CD1 3.58Å; A431-L440 HydrophobicContact CB-CG 4.25Å; D433-L440 HydrophobicContact CB-CD2 4.17Å; G438-L440 PolarHBondContact O-N 3.33Å | ||
| 441 | S | 89 | Confident | 87 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 151.5 | 179.4 | -58 | 0 | 0 | 0 | 0 | 109.8 | L432 F453 | L432-S441 PolarHBondContact N-O 3.41Å; L432-S441 PolarHBondContact O-N 2.83Å; S441-F453 CarbonylContact C-O 3.57Å; S441-F453 VanDerWaalsContact CA-O 3.26Å; S441-F453 WeakPolarHBondContact CA-O 2.92Å; S441-F453 WeakPolarHBondContact CB-O 3.47Å |
| 442 | L | 91.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.8 | 179 | -179 | 71 | 0 | 0 | 0 | 108.9 | L6 Y9 F379 I388 I428 V444 F453 | L6-L442 HydrophobicContact CD1-CD2 4.11Å; Y9-L442 HydrophobicContact CD1-CB 4.42Å; Y9-L442 HydrophobicContact CE1-CB 4Å; F379-L442 HydrophobicContact CE1-CD1 3.75Å; F379-L442 HydrophobicContact CZ-CD1 4.15Å; I388-L442 HydrophobicContact CD1-CD1 4.27Å; I388-L442 HydrophobicContact CD1-CD2 3.8Å; I428-L442 HydrophobicContact CG2-CD1 3.42Å; I428-L442 VanDerWaalsContact CG2-CD1 3.42Å; I428-L442 HydrophobicContact CG2-CG 4.25Å; L442-V444 HydrophobicContact CD2-CG2 3.8Å; L442-V444 HydrophobicContact CG-CG2 3.8Å; L442-F453 HydrophobicContact CB-CB 4.27Å; L442-F453 HydrophobicContact CD2-CD2 4.45Å; L442-F453 PolarHBondContact N-O 2.86Å; L442-F453 PolarHBondContact O-N 3.07Å |
| 443 | A | 92.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L26 I46 S429 L450 H451 I452 | L26-A443 HydrophobicContact CD1-CB 3.83Å; I46-A443 HydrophobicContact CD1-CB 3.61Å; S429-A443 PolarHBondContact N-O 2.95Å; S429-A443 PolarHBondContact OG-N 3.3Å; S429-A443 PolarHBondContact OG-O 3.03Å; A443-L450 HydrophobicContact CB-CD1 4.3Å; A443-H451 WeakPolarHBondContact CA-O 3.26Å; A443-I452 HydrophobicContact CB-CD1 3.8Å |
| 444 | V | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124 | -179.4 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | L396 L421 V425 I428 L442 T446 H451 F453 | L396-V444 HydrophobicContact CD1-CG1 4.49Å; L396-V444 HydrophobicContact CD1-CG2 4.06Å; L396-V444 HydrophobicContact CD2-CG1 4.04Å; L396-V444 HydrophobicContact CD2-CG2 4.43Å; L421-V444 HydrophobicContact CD1-CG1 3.69Å; V425-V444 HydrophobicContact CG1-CG1 3.68Å; I428-V444 HydrophobicContact CG1-CG1 4.39Å; I428-V444 HydrophobicContact CG2-CG2 4.45Å; L442-V444 HydrophobicContact CD2-CG2 3.8Å; L442-V444 HydrophobicContact CG-CG2 3.8Å; V444-T446 HydrophobicContact CG1-CG2 4.4Å; V444-H451 HydrophobicContact CB-CB 4.36Å; V444-H451 PolarHBondContact N-O 3.27Å; V444-H451 PolarHBondContact O-CD2 2.93Å; V444-H451 PolarHBondContact O-N 3.38Å; V444-F453 HydrophobicContact CB-CD2 4.44Å; V444-F453 HydrophobicContact CB-CE2 3.97Å; V444-F453 HydrophobicContact CG2-CD2 3.86Å; V444-F453 HydrophobicContact CG2-CE2 3.75Å |
| 445 | L | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.6 | 178.9 | -178 | 63.6 | 0 | 0 | 0 | 110.4 | V23 L26 V48 F426 C427 | V23-L445 HydrophobicContact CB-CD1 3.89Å; V23-L445 HydrophobicContact CB-CD2 4.46Å; V23-L445 HydrophobicContact CB-CG 4.49Å; V23-L445 HydrophobicContact CG1-CD1 3.39Å; V23-L445 HydrophobicContact CG1-CD2 3.9Å; V23-L445 HydrophobicContact CG1-CG 4.15Å; V23-L445 WeakPolarHBondContact O-CD2 3.16Å; L26-L445 HydrophobicContact CB-CB 4.47Å; L26-L445 HydrophobicContact CB-CD2 4.15Å; V48-L445 HydrophobicContact CG1-CD1 4.38Å; F426-L445 PolarHBondContact N-O 3.1Å; C427-L445 HydrophobicContact CB-CB 4.09Å; C427-L445 HydrophobicContact CB-CD2 4.36Å; C427-L445 PolarHBondContact N-O 3.11Å; C427-L445 PolarHBondContact O-N 2.96Å |
| 446 | T | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 166.6 | 174 | 74.7 | 0 | 0 | 0 | 0 | 111.1 | L421 P424 V425 V444 R448 G449 H451 | L421-T446 HydrophobicContact CB-CG2 4.16Å; L421-T446 HydrophobicContact CD1-CG2 3.84Å; P424-T446 WeakPolarHBondContact O-CA 3.32Å; P424-T446 VanDerWaalsContact O-CB 3.32Å; P424-T446 WeakPolarHBondContact O-CB 3.42Å; V425-T446 HydrophobicContact CG2-CG2 4.45Å; V444-T446 HydrophobicContact CG1-CG2 4.4Å; T446-R448 PolarHBondContact O-N 3.1Å; T446-R448 PolarHBondContact OG1-N 3.2Å; T446-R448 VanDerWaalsContact OG1-N 3.1Å; T446-G449 PolarHBondContact N-O 2.74Å; T446-G449 PolarHBondContact O-N 2.71Å; T446-G449 VanDerWaalsContact O-N 3.11Å; T446-G449 PolarHBondContact OG1-N 2.83Å; T446-G449 PolarHBondContact OG1-O 3.31Å; T446-H451 PolarHBondContact OG1-NE2 3.03Å |
| 447 | S | 86.9 | Confident | 87.7 | Confident | 32 Ų | 32 | 28.4 Ų | 28.4 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -16.1 | 168.6 | 59.5 | 0 | 0 | 0 | 0 | 114.6 | P424 | P424-S447 VanDerWaalsContact CD-OG 3.26Å; P424-S447 WeakPolarHBondContact CD-OG 3.42Å; P424-S447 PolarHBondContact O-N 2.98Å; P424-S447 VanDerWaalsContact O-N 3.1Å |
| 448 | R | 87.7 | Confident | 88 | Confident | 159 Ų | 159 | 31.4 Ų | 31.4 | 60% | 0.6 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -12.7 | 178.5 | -67 | -58.4 | -168.2 | 162.5 | -1.2 | 114 | P16 S17 P422 T446 | P16-R448 CarbonylContact C-O 3.58Å; P16-R448 WeakPolarHBondContact CA-O 3.46Å; S17-R448 PolarHBondContact N-O 3.41Å; P422-R448 HydrophobicContact CB-CB 4.34Å; P422-R448 HydrophobicContact CB-CG 4.16Å; P422-R448 HydrophobicContact CG-CB 4.1Å; P422-R448 HydrophobicContact CG-CG 4.43Å; P422-R448 WeakPolarHBondContact O-CG 3.35Å; T446-R448 PolarHBondContact O-N 3.1Å; T446-R448 PolarHBondContact OG1-N 3.2Å; T446-R448 VanDerWaalsContact OG1-N 3.1Å |
| 449 | G | 87.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.6 | -178.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F15 T446 H451 | F15-G449 CarbonylContact O-C 3.51Å; F15-G449 WeakPolarHBondContact O-CA 3.19Å; T446-G449 PolarHBondContact N-O 2.74Å; T446-G449 PolarHBondContact O-N 2.71Å; T446-G449 VanDerWaalsContact O-N 3.11Å; T446-G449 PolarHBondContact OG1-N 2.83Å; T446-G449 PolarHBondContact OG1-O 3.31Å; G449-H451 PolarHBondContact O-CD2 3.17Å |
| 450 | L | 90.5 | Very high | 88.6 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.6 | 172.8 | 178.1 | 69.3 | 0 | 0 | 0 | 109.6 | H14 F15 L26 I46 V48 A443 I452 | H14-L450 WeakPolarHBondContact CA-O 3.33Å; F15-L450 HydrophobicContact CB-CB 4.27Å; F15-L450 HydrophobicContact CD2-CB 4.12Å; F15-L450 HydrophobicContact CD2-CD2 3.9Å; F15-L450 HydrophobicContact CD2-CG 4.17Å; F15-L450 HydrophobicContact CE2-CD2 4.32Å; F15-L450 PolarHBondContact N-O 3.11Å; F15-L450 PolarHBondContact O-N 3.29Å; L26-L450 HydrophobicContact CD1-CD1 3.62Å; I46-L450 HydrophobicContact CD1-CD2 4.47Å; I46-L450 HydrophobicContact CG2-CD2 4.1Å; V48-L450 HydrophobicContact CG2-CD1 4.39Å; V48-L450 HydrophobicContact CG2-CD2 3.91Å; A443-L450 HydrophobicContact CB-CD1 4.3Å; L450-I452 HydrophobicContact CD1-CD1 4.34Å; L450-I452 HydrophobicContact CD2-CD1 4.02Å; L450-I452 HydrophobicContact CG-CD1 4.01Å |
| 451 | H | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.5 | 177.8 | -54.2 | -94.2 | 0 | 0 | 0 | 109.2 | E11 H14 P422 A443 V444 T446 G449 F453 | E11-H451 IonicContact OE1-CE1 3.68Å; E11-H451 IonicContact OE1-CG 3.52Å; E11-H451 IonicContact OE1-ND1 3.42Å; E11-H451 PolarHBondContact OE1-ND1 2.97Å; H14-H451 AromaticContact CD2-CE1 3.23Å; H14-H451 PolarHBondContact CD2-CE1 3.16Å; H14-H451 AromaticContact CD2-ND1 3.48Å; H14-H451 PolarHBondContact CD2-ND1 2.88Å; H14-H451 AromaticContact CD2-NE2 3.9Å; H14-H451 AromaticContact NE2-CE1 3.63Å; P422-H451 VanDerWaalsContact CG-CE1 3.49Å; P422-H451 WeakPolarHBondContact CG-CE1 3.35Å; A443-H451 WeakPolarHBondContact CA-O 3.26Å; V444-H451 HydrophobicContact CB-CB 4.36Å; V444-H451 PolarHBondContact N-O 3.27Å; V444-H451 PolarHBondContact O-CD2 2.93Å; V444-H451 PolarHBondContact O-N 3.38Å; T446-H451 PolarHBondContact OG1-NE2 3.03Å; G449-H451 PolarHBondContact O-CD2 3.17Å; H451-F453 HydrophobicContact CB-CD2 4.31Å; H451-F453 HydrophobicContact CB-CE2 3.49Å; H451-F453 VanDerWaalsContact CB-CE2 3.49Å; H451-F453 HydrophobicContact CB-CZ 3.76Å |
| 452 | I | 93 | Very high | 88.2 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.8 | 175.3 | -53.7 | -58.6 | 0 | 0 | 0 | 108.2 | L12 F13 F15 I46 F69 L434 A443 L450 | L12-I452 PolarHBondContact N-O 2.96Å; F13-I452 HydrophobicContact CB-CB 4.2Å; F13-I452 HydrophobicContact CB-CG1 4.23Å; F13-I452 HydrophobicContact CD2-CB 4.24Å; F13-I452 HydrophobicContact CD2-CG2 4.39Å; F13-I452 PolarHBondContact N-O 3.22Å; F13-I452 PolarHBondContact O-N 2.75Å; F15-I452 HydrophobicContact CE2-CG1 3.96Å; I46-I452 HydrophobicContact CD1-CD1 3.35Å; F69-I452 HydrophobicContact CE1-CG1 4.11Å; F69-I452 HydrophobicContact CZ-CD1 4Å; F69-I452 HydrophobicContact CZ-CG1 3.77Å; L434-I452 HydrophobicContact CD1-CD1 4.38Å; L434-I452 HydrophobicContact CD1-CG2 3.73Å; A443-I452 HydrophobicContact CB-CD1 3.8Å; L450-I452 HydrophobicContact CD1-CD1 4.34Å; L450-I452 HydrophobicContact CD2-CD1 4.02Å; L450-I452 HydrophobicContact CG-CD1 4.01Å |
| 453 | F | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 139.5 | 176.1 | -57.8 | -83.8 | 0 | 0 | 0 | 110.7 | Y9 V10 E11 L396 L421 S441 L442 V444 H451 | Y9-F453 HydrophobicContact CD1-CB 3.59Å; Y9-F453 HydrophobicContact CG-CB 4.28Å; V10-F453 VanDerWaalsContact O-CA 3.31Å; V10-F453 WeakPolarHBondContact O-CA 3.41Å; E11-F453 HydrophobicContact CB-CD1 3.93Å; E11-F453 HydrophobicContact CB-CE1 3.65Å; E11-F453 HydrophobicContact CG-CD1 4.44Å; E11-F453 HydrophobicContact CG-CE1 3.98Å; E11-F453 HydrophobicContact CG-CZ 4.48Å; L396-F453 HydrophobicContact CD1-CE2 4.4Å; L421-F453 HydrophobicContact CD2-CE2 4.39Å; L421-F453 HydrophobicContact CD2-CZ 3.76Å; S441-F453 CarbonylContact C-O 3.57Å; S441-F453 VanDerWaalsContact CA-O 3.26Å; S441-F453 WeakPolarHBondContact CA-O 2.92Å; S441-F453 WeakPolarHBondContact CB-O 3.47Å; L442-F453 HydrophobicContact CB-CB 4.27Å; L442-F453 HydrophobicContact CD2-CD2 4.45Å; L442-F453 PolarHBondContact N-O 2.86Å; L442-F453 PolarHBondContact O-N 3.07Å; V444-F453 HydrophobicContact CB-CD2 4.44Å; V444-F453 HydrophobicContact CB-CE2 3.97Å; V444-F453 HydrophobicContact CG2-CD2 3.86Å; V444-F453 HydrophobicContact CG2-CE2 3.75Å; H451-F453 HydrophobicContact CB-CD2 4.31Å; H451-F453 HydrophobicContact CB-CE2 3.49Å; H451-F453 VanDerWaalsContact CB-CE2 3.49Å; H451-F453 HydrophobicContact CB-CZ 3.76Å |
| 454 | Q | 88.7 | Confident | 87.2 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.3 | 172.9 | -168.9 | -179.4 | 14.9 | 0 | 0 | 109.3 | Y9 V10 | Y9-Q454 CarbonylContact C-O 3.57Å; Y9-Q454 VanDerWaalsContact CA-O 3.29Å; Y9-Q454 WeakPolarHBondContact CA-O 3.47Å; V10-Q454 PolarHBondContact N-O 3.44Å; V10-Q454 PolarHBondContact O-N 3.23Å |
| 455 | H | 86.2 | Confident | 86.6 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 140 | 169.9 | -68.5 | -72.7 | 0 | 0 | 0 | 112.1 | T8 Y9 F379 T457 L460 | T8-H455 CarbonylContact O-C 3.56Å; T8-H455 PolarHBondContact OG1-ND1 2.99Å; Y9-H455 AromaticContact CD2-CE1 3.78Å; Y9-H455 AromaticContact CD2-ND1 3.84Å; Y9-H455 AromaticContact CE2-CE1 3.08Å; Y9-H455 WeakPolarHBondContact CE2-CE1 3.05Å; Y9-H455 AromaticContact CE2-ND1 3.6Å; Y9-H455 AromaticContact CE2-NE2 3.52Å; Y9-H455 AromaticContact CZ-CD2 3.93Å; Y9-H455 AromaticContact CZ-CE1 3.5Å; Y9-H455 AromaticContact CZ-NE2 3.4Å; Y9-H455 PolarHBondContact OH-NE2 2.77Å; Y9-H455 VanDerWaalsContact OH-NE2 3.11Å; F379-H455 PolarHBondContact O-CE1 2.79Å; F379-H455 PolarHBondContact O-NE2 2.93Å; H455-T457 PolarHBondContact O-N 3.23Å; H455-L460 HydrophobicContact CB-CB 4.26Å |
| 456 | D | 84.8 | Confident | 85.9 | Confident | 56 Ų | 56 | 52 Ų | 52 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -56.1 | 123.2 | 164.7 | 177.8 | -82.9 | 0 | 0 | 0 | 109.4 | T8 V10 Y458 C459 L460 | T8-D456 WeakPolarHBondContact O-CB 3.14Å; T8-D456 PolarHBondContact O-N 3.32Å; V10-D456 HydrophobicContact CG2-CB 4.01Å; D456-Y458 PolarHBondContact O-N 2.84Å; D456-Y458 WeakPolarHBondContact OD1-CA 3.31Å; D456-Y458 VanDerWaalsContact OD1-CB 3.23Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.4Å; D456-Y458 PolarHBondContact OD1-N 3.27Å; D456-C459 HydrophobicContact CB-CB 4.09Å; D456-C459 PolarHBondContact O-N 3.42Å; D456-C459 PolarHBondContact OD1-N 3.44Å; D456-L460 WeakPolarHBondContact O-CB 3.29Å; D456-L460 PolarHBondContact O-N 2.73Å | ||
| 457 | T | 82 | Confident | 85.1 | Confident | 95 Ų | 95 | 55.6 Ų | 55.6 | 58% | 0.583 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.5 | -35.4 | -175 | -43.3 | 0 | 0 | 0 | 0 | 112.1 | H455 M461 | H455-T457 PolarHBondContact O-N 3.23Å; T457-M461 HydrophobicContact CG2-CG 4.41Å; T457-M461 WeakPolarHBondContact O-CB 3.37Å; T457-M461 WeakPolarHBondContact O-CG 3.42Å; T457-M461 PolarHBondContact O-N 2.93Å |
| 458 | Y | 83.7 | Confident | 84.8 | Confident | 175 Ų | 175 | 58.3 Ų | 58.3 | 69% | 0.686 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.3 | -45.1 | 179.3 | 174.3 | -92.9 | 0 | 0 | 0 | 111.1 | D456 M461 K462 | D456-Y458 PolarHBondContact O-N 2.84Å; D456-Y458 WeakPolarHBondContact OD1-CA 3.31Å; D456-Y458 VanDerWaalsContact OD1-CB 3.23Å; D456-Y458 WeakPolarHBondContact OD1-CB 3.4Å; D456-Y458 PolarHBondContact OD1-N 3.27Å; Y458-M461 PolarHBondContact O-N 3.19Å; Y458-K462 WeakPolarHBondContact O-CB 3.38Å; Y458-K462 PolarHBondContact O-N 3.49Å |
| 459 | C | 83.9 | Confident | 84.4 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 173.7 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | L4 T8 D456 K462 E463 | L4-C459 HydrophobicContact CD2-CB 3.77Å; T8-C459 HydrophobicContact CG2-CB 4.1Å; D456-C459 HydrophobicContact CB-CB 4.09Å; D456-C459 PolarHBondContact O-N 3.42Å; D456-C459 PolarHBondContact OD1-N 3.44Å; C459-K462 PolarHBondContact O-N 3.48Å; C459-E463 PolarHBondContact O-N 2.67Å |
| 460 | L | 83 | Confident | 83.6 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 179.3 | 179.9 | 62.7 | 0 | 0 | 0 | 111.6 | L4 P439 H455 D456 K462 E463 I464 | L4-L460 HydrophobicContact CD1-CD1 3.55Å; P439-L460 HydrophobicContact CB-CD2 3.86Å; P439-L460 HydrophobicContact CG-CD2 3.7Å; H455-L460 HydrophobicContact CB-CB 4.26Å; D456-L460 WeakPolarHBondContact O-CB 3.29Å; D456-L460 PolarHBondContact O-N 2.73Å; L460-K462 VanDerWaalsContact C-N 3.3Å; L460-K462 PolarHBondContact O-N 2.93Å; L460-E463 PolarHBondContact O-N 3.47Å; L460-I464 HydrophobicContact CD1-CD1 4.12Å; L460-I464 HydrophobicContact CD1-CG1 4.39Å; L460-I464 HydrophobicContact CG-CD1 3.91Å; L460-I464 WeakPolarHBondContact O-CG1 3.38Å; L460-I464 PolarHBondContact O-N 2.79Å |
| 461 | M | 83.2 | Confident | 82.2 | Confident | 90 Ų | 90 | 65.4 Ų | 65.4 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 178.4 | -73.9 | -66.8 | 162.5 | 0 | 0 | 111.6 | T457 Y458 E463 I464 H465 | T457-M461 HydrophobicContact CG2-CG 4.41Å; T457-M461 WeakPolarHBondContact O-CB 3.37Å; T457-M461 WeakPolarHBondContact O-CG 3.42Å; T457-M461 PolarHBondContact O-N 2.93Å; Y458-M461 PolarHBondContact O-N 3.19Å; M461-E463 VanDerWaalsContact C-N 3.31Å; M461-E463 PolarHBondContact O-N 3.39Å; M461-I464 PolarHBondContact O-N 2.87Å; M461-H465 PolarHBondContact O-N 3.33Å; M461-H465 PolarHBondContact O-ND1 2.78Å |
| 462 | K | 83.1 | Confident | 80.1 | Confident | 115 Ų | 115 | 69 Ų | 69 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.9 | -175 | -179.2 | 178.3 | -178.8 | 0 | 111.9 | Y458 C459 L460 H466 | Y458-K462 WeakPolarHBondContact O-CB 3.38Å; Y458-K462 PolarHBondContact O-N 3.49Å; C459-K462 PolarHBondContact O-N 3.48Å; L460-K462 VanDerWaalsContact C-N 3.3Å; L460-K462 PolarHBondContact O-N 2.93Å; K462-H466 WeakPolarHBondContact O-CB 3.49Å; K462-H466 PolarHBondContact O-N 3.42Å |
| 463 | E | 80.9 | Confident | 77.7 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 15% | 0.154 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 177.7 | -175.2 | 57.7 | -155.9 | 0 | 0 | 111.8 | L4 C459 L460 M461 H466 R467 | L4-E463 HydrophobicContact CD1-CB 4.01Å; L4-E463 HydrophobicContact CD1-CG 4.01Å; L4-E463 HydrophobicContact CD2-CB 4.45Å; L4-E463 HydrophobicContact CG-CB 4.07Å; L4-E463 HydrophobicContact CG-CG 4.14Å; C459-E463 PolarHBondContact O-N 2.67Å; L460-E463 PolarHBondContact O-N 3.47Å; M461-E463 VanDerWaalsContact C-N 3.31Å; M461-E463 PolarHBondContact O-N 3.39Å; E463-H466 PolarHBondContact O-N 3.23Å; E463-R467 WeakPolarHBondContact O-CG 3.43Å; E463-R467 PolarHBondContact O-N 2.89Å; E463-R467 IonicContact OE1-CZ 3.83Å; E463-R467 IonicContact OE1-NE 3.95Å; E463-R467 PolarHBondContact OE1-NE 3.22Å; E463-R467 IonicContact OE1-NH2 3.15Å |
| 464 | I | 80.9 | Confident | 75.1 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 36% | 0.359 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.5 | -68.8 | 169 | 0 | 0 | 0 | 111 | L460 M461 H466 R467 L468 | L460-I464 HydrophobicContact CD1-CD1 4.12Å; L460-I464 HydrophobicContact CD1-CG1 4.39Å; L460-I464 HydrophobicContact CG-CD1 3.91Å; L460-I464 WeakPolarHBondContact O-CG1 3.38Å; L460-I464 PolarHBondContact O-N 2.79Å; M461-I464 PolarHBondContact O-N 2.87Å; I464-H466 VanDerWaalsContact C-N 3.34Å; I464-H466 PolarHBondContact O-N 3.24Å; I464-R467 PolarHBondContact O-N 3.05Å; I464-L468 HydrophobicContact CG2-CG 4.42Å; I464-L468 HydrophobicContact CG2-CD1 3.93Å; I464-L468 PolarHBondContact O-N 3Å; I464-L468 WeakPolarHBondContact O-CG 3.34Å |
| 465 | H | 82.1 | Confident | 72.6 | Confident | 112 Ų | 112 | 88.1 Ų | 88.1 | 52% | 0.519 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 178.3 | -75.6 | 79.1 | 0 | 0 | 0 | 111.1 | M461 R467 L468 D469 | M461-H465 PolarHBondContact O-N 3.33Å; M461-H465 PolarHBondContact O-ND1 2.78Å; H465-R467 VanDerWaalsContact C-N 3.29Å; H465-R467 PolarHBondContact O-N 2.81Å; H465-L468 PolarHBondContact O-N 3.02Å; H465-D469 WeakPolarHBondContact O-CB 3.15Å; H465-D469 VanDerWaalsContact O-CG 3.25Å; H465-D469 PolarHBondContact O-N 2.94Å |
| 466 | H | 77.4 | Confident | 70.2 | Confident | 68 Ų | 68 | 92.6 Ų | 92.6 | 32% | 0.315 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 178 | -176.4 | 57.4 | 0 | 0 | 0 | 112.6 | K462 E463 I464 D469 N470 | K462-H466 WeakPolarHBondContact O-CB 3.49Å; K462-H466 PolarHBondContact O-N 3.42Å; E463-H466 PolarHBondContact O-N 3.23Å; I464-H466 VanDerWaalsContact C-N 3.34Å; I464-H466 PolarHBondContact O-N 3.24Å; H466-D469 PolarHBondContact O-N 3.36Å; H466-N470 PolarHBondContact CD2-ND2 2.75Å; H466-N470 PolarHBondContact CE1-ND2 2.91Å; H466-N470 PolarHBondContact NE2-ND2 2.9Å; H466-N470 WeakPolarHBondContact O-CB 3.16Å; H466-N470 VanDerWaalsContact O-CG 3.26Å; H466-N470 PolarHBondContact O-N 3.41Å; H466-N470 PolarHBondContact O-ND2 2.78Å |
| 467 | R | 75.5 | Confident | 67.5 | Low | 75 Ų | 75 | 97.6 Ų | 97.6 | 28% | 0.283 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.8 | -40.3 | 177.7 | -71.1 | 176.9 | 180 | -153.4 | 5.9 | 112.5 | N380 L381 E463 I464 H465 D469 N470 H471 | N380-R467 PolarHBondContact O-NH2 2.93Å; L381-R467 VanDerWaalsContact C-NH2 3.3Å; L381-R467 VanDerWaalsContact O-CZ 3.26Å; L381-R467 PolarHBondContact O-NH1 3.06Å; L381-R467 PolarHBondContact O-NH2 3.32Å; E463-R467 WeakPolarHBondContact O-CG 3.43Å; E463-R467 PolarHBondContact O-N 2.89Å; E463-R467 IonicContact OE1-CZ 3.83Å; E463-R467 IonicContact OE1-NE 3.95Å; E463-R467 PolarHBondContact OE1-NE 3.22Å; E463-R467 IonicContact OE1-NH2 3.15Å; I464-R467 PolarHBondContact O-N 3.05Å; H465-R467 VanDerWaalsContact C-N 3.29Å; H465-R467 PolarHBondContact O-N 2.81Å; R467-D469 VanDerWaalsContact C-N 3.27Å; R467-D469 PolarHBondContact O-N 2.8Å; R467-N470 PolarHBondContact O-N 3.17Å; R467-H471 WeakPolarHBondContact O-CA 3.33Å; R467-H471 VanDerWaalsContact O-CB 3.22Å; R467-H471 WeakPolarHBondContact O-CB 3.23Å; R467-H471 PolarHBondContact O-CD2 2.85Å; R467-H471 PolarHBondContact O-N 2.79Å |
| 468 | L | 80.6 | Confident | 65.1 | Low | 89 Ų | 89 | 103.8 Ų | 103.8 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 173.5 | -72.4 | 171.8 | 0 | 0 | 0 | 111.1 | I464 H465 S472 I475 | I464-L468 HydrophobicContact CG2-CG 4.42Å; I464-L468 HydrophobicContact CG2-CD1 3.93Å; I464-L468 PolarHBondContact O-N 3Å; I464-L468 WeakPolarHBondContact O-CG 3.34Å; H465-L468 PolarHBondContact O-N 3.02Å; L468-S472 VanDerWaalsContact O-CB 3.25Å; L468-S472 PolarHBondContact O-N 3.35Å; L468-S472 WeakPolarHBondContact O-CB 3.29Å; L468-S472 WeakPolarHBondContact O-CA 3.35Å; L468-I475 HydrophobicContact CD2-CD1 3.79Å |
| 469 | D | 79.4 | Confident | 64.2 | Low | 115 Ų | 115 | 100.2 Ų | 100.2 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -44.5 | 177.2 | -69.6 | -22.9 | 0 | 0 | 0 | 111.6 | H465 H466 R467 S472 | H465-D469 WeakPolarHBondContact O-CB 3.15Å; H465-D469 VanDerWaalsContact O-CG 3.25Å; H465-D469 PolarHBondContact O-N 2.94Å; H466-D469 PolarHBondContact O-N 3.36Å; R467-D469 VanDerWaalsContact C-N 3.27Å; R467-D469 PolarHBondContact O-N 2.8Å; D469-S472 PolarHBondContact O-OG 3.02Å |
| 470 | N | 70.6 | Confident | 63.2 | Low | 97 Ų | 97 | 103.2 Ų | 103.2 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.4 | -32.2 | -179.2 | -68.7 | -19.1 | 0 | 0 | 0 | 114.2 | H466 R467 | H466-N470 PolarHBondContact CD2-ND2 2.75Å; H466-N470 PolarHBondContact CE1-ND2 2.91Å; H466-N470 PolarHBondContact NE2-ND2 2.9Å; H466-N470 WeakPolarHBondContact O-CB 3.16Å; H466-N470 VanDerWaalsContact O-CG 3.26Å; H466-N470 PolarHBondContact O-N 3.41Å; H466-N470 PolarHBondContact O-ND2 2.78Å; R467-N470 PolarHBondContact O-N 3.17Å |
| 471 | H | 62 | Low | 62.1 | Low | 103 Ų | 103 | 108.3 Ų | 108.3 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -104.5 | 16.1 | -178.1 | -67 | -84.5 | 0 | 0 | 0 | 113.1 | R467 F473 L474 | R467-H471 WeakPolarHBondContact O-CA 3.33Å; R467-H471 VanDerWaalsContact O-CB 3.22Å; R467-H471 WeakPolarHBondContact O-CB 3.23Å; R467-H471 PolarHBondContact O-CD2 2.85Å; R467-H471 PolarHBondContact O-N 2.79Å; H471-F473 PolarHBondContact O-N 3.38Å; H471-L474 PolarHBondContact O-N 3.1Å |
| 472 | S | 48.1 | Very low | 60.8 | Low | 75 Ų | 75 | 109.4 Ų | 109.4 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.6 | -11.8 | 173.4 | 44.6 | 0 | 0 | 0 | 0 | 113.9 | L468 D469 | L468-S472 VanDerWaalsContact O-CB 3.25Å; L468-S472 PolarHBondContact O-N 3.35Å; L468-S472 WeakPolarHBondContact O-CB 3.29Å; L468-S472 WeakPolarHBondContact O-CA 3.35Å; D469-S472 PolarHBondContact O-OG 3.02Å |
| 473 | F | 44.3 | Very low | 59.5 | Low | 195 Ų | 195 | 109 Ų | 109 | 86% | 0.855 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 1.8 | 171.7 | -68.4 | -76.6 | 0 | 0 | 0 | 115.9 | H471 | H471-F473 PolarHBondContact O-N 3.38Š|
| 474 | L | 37.8 | Very low | 58 | Low | 134 Ų | 134 | 114.1 Ų | 114.1 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -126.4 | 15.5 | -176.2 | -81.3 | 165 | 0 | 0 | 0 | 115.2 | H471 P476 | H471-L474 PolarHBondContact O-N 3.1Å; L474-P476 WeakPolarHBondContact O-CD 3.49Å |
| 475 | I | 34.2 | Very low | 56.4 | Low | 94 Ų | 94 | 117.2 Ų | 117.2 | 48% | 0.482 | 60% | 0.602 | S | S | . | * | trans | -105 | 78.9 | 170.3 | -47.5 | 174.9 | 0 | 0 | 0 | 110.7 | L468 L478 | L468-I475 HydrophobicContact CD2-CD1 3.79Å; I475-L478 HydrophobicContact CG2-CD1 4.23Å | ||
| 476 | P | 36.3 | Very low | 54.4 | Low | 99 Ų | 99 | 117.6 Ų | 117.6 | 64% | 0.643 | 61% | 0.609 | S | S | * | * | trans | -98.6 | 116.8 | 147 | 31.5 | -20.1 | 0 | 0 | 0 | 108.1 | L474 | L474-P476 WeakPolarHBondContact O-CD 3.49Š| ||
| 477 | N | 28.3 | Very low | 52.5 | Low | 161 Ų | 161 | 121.8 Ų | 121.8 | 86% | 0.861 | 63% | 0.633 | S | S | * | * | trans | 93.1 | 79.6 | 173.4 | -44.9 | -38 | 0 | 0 | 0 | 115.3 | ||||
| 478 | L | 32.9 | Very low | 50.4 | Low | 224 Ų | 224 | 126 Ų | 126 | 100% | 1.173 | 67% | 0.665 | S | S | * | * | trans | -92.4 | 0 | 140.9 | -110.7 | 142.7 | 0 | 0 | 0 | 108.3 | I475 | I475-L478 HydrophobicContact CG2-CD1 4.23Š|
Retrieved 478 of 478 residues in 161.8 ms
(Link to these results)