| 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 | 33.3 | Very low | 36 | Very low | 241 Ų | 241 | 121.1 Ų | 121.1 | 100% | 1.187 | 67% | 0.667 | S | S | * | * | 0 | -11.4 | 0 | -74.5 | -177.9 | -173 | 0 | 0 | 114.9 | |||||
| 2 | A | 33.5 | Very low | 36.8 | Very low | 96 Ų | 96 | 113.7 Ų | 113.7 | 79% | 0.793 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -82.7 | -6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 3 | Q | 32.5 | Very low | 37.9 | Very low | 168 Ų | 168 | 112.2 Ų | 112.2 | 79% | 0.785 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -83.3 | -12.7 | -172 | -92.1 | 177.3 | -25.3 | 0 | 0 | 116 | ||
| 4 | F | 34.8 | Very low | 39.7 | Very low | 182 Ų | 182 | 112.5 Ų | 112.5 | 80% | 0.798 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -94.8 | -4.1 | -176.6 | -78.6 | -80.6 | 0 | 0 | 0 | 114.7 | ||
| 5 | G | 32.4 | Very low | 42.2 | Very low | 53 Ų | 53 | 108.9 Ų | 108.9 | 55% | 0.546 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -88.2 | -11.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 6 | E | 32.8 | Very low | 45.3 | Very low | 146 Ų | 146 | 104.6 Ų | 104.6 | 68% | 0.682 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -82.6 | -16.7 | -176.6 | -78.8 | -176.5 | 159.6 | 0 | 0 | 113.7 | C8 L9 S10 | E6-C8 VanDerWaalsContact C-N 3.31Å; E6-C8 PolarHBondContact O-N 3.41Å; E6-L9 PolarHBondContact O-N 3.07Å; E6-S10 VanDerWaalsContact O-CB 3.24Å; E6-S10 WeakPolarHBondContact O-CB 3Å; E6-S10 PolarHBondContact O-N 3.49Å; E6-S10 PolarHBondContact O-OG 3.01Å; E6-S10 VanDerWaalsContact O-OG 3.11Å |
| 7 | H | 36 | Very low | 48.1 | Very low | 126 Ų | 126 | 102.3 Ų | 102.3 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.3 | -173 | -87.6 | -39.8 | 0 | 0 | 0 | 115.8 | S10 | H7-S10 WeakPolarHBondContact CA-OG 3.38Å; H7-S10 PolarHBondContact O-OG 3.38Å |
| 8 | C | 42.6 | Very low | 50.7 | Low | 49 Ų | 49 | 96.9 Ų | 96.9 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -9.6 | -179.6 | -51 | 0 | 0 | 0 | 0 | 113.4 | E6 C471 F473 | E6-C8 VanDerWaalsContact C-N 3.31Å; E6-C8 PolarHBondContact O-N 3.41Å; C8-C471 HydrophobicContact CB-CB 4.26Å; C8-C471 WeakPolarHBondContact CB-SG 3.15Å; C8-C471 WeakPolarHBondContact SG-CB 3.29Å; C8-C471 CovalentContact SG-SG 2.08Å; C8-C471 PolarHBondContact SG-SG 2.72Å; C8-F473 HydrophobicContact CB-CE1 4.43Å; C8-F473 HydrophobicContact CB-CE2 4.48Å; C8-F473 HydrophobicContact CB-CZ 3.8Å |
| 9 | L | 38.2 | Very low | 53 | Low | 152 Ų | 152 | 94.1 Ų | 94.1 | 80% | 0.796 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -22 | 174.7 | -75.6 | 169.6 | 0 | 0 | 0 | 113.2 | E6 S11 | E6-L9 PolarHBondContact O-N 3.07Å; L9-S11 PolarHBondContact O-N 3.26Å |
| 10 | S | 37.9 | Very low | 55.1 | Low | 49 Ų | 49 | 94.6 Ų | 94.6 | 34% | 0.343 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -59.9 | 130.7 | 165.7 | 65.2 | 0 | 0 | 0 | 0 | 107.4 | E6 H7 | E6-S10 VanDerWaalsContact O-CB 3.24Å; E6-S10 WeakPolarHBondContact O-CB 3Å; E6-S10 PolarHBondContact O-N 3.49Å; E6-S10 PolarHBondContact O-OG 3.01Å; E6-S10 VanDerWaalsContact O-OG 3.11Å; H7-S10 WeakPolarHBondContact CA-OG 3.38Å; H7-S10 PolarHBondContact O-OG 3.38Å |
| 11 | S | 42.6 | Very low | 56.9 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | trans | -43.9 | 125.1 | 175 | 73.1 | 0 | 0 | 0 | 0 | 107.9 | L9 I13 | L9-S11 PolarHBondContact O-N 3.26Å; S11-I13 PolarHBondContact O-N 3.41Å; S11-I13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | P | 45.4 | Very low | 59.8 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 21% | 0.208 | 46% | 0.459 | C | S | . | . | trans | -51.5 | 130.2 | -177.6 | 10.1 | -17.9 | 0 | 0 | 0 | 107.3 | K14 | P12-K14 WeakPolarHBondContact O-CA 3.33Å; P12-K14 WeakPolarHBondContact O-CG 3.03Å; P12-K14 PolarHBondContact O-N 3.36Å | ||
| 13 | I | 50.1 | Low | 62.8 | Low | 94 Ų | 94 | 82.3 Ų | 82.3 | 48% | 0.482 | 43% | 0.43 | S | S | . | . | trans | -47.1 | 106.6 | 177.6 | -65.2 | 171.1 | 0 | 0 | 0 | 106.1 | S11 H15 R16 | S11-I13 PolarHBondContact O-N 3.41Å; S11-I13 VanDerWaalsContact O-N 3.11Å; I13-H15 PolarHBondContact O-N 3.2Å; I13-H15 VanDerWaalsContact O-N 3.08Å; I13-R16 HydrophobicContact CG2-CG 4.05Å | ||
| 14 | K | 63.7 | Low | 65.9 | Low | 117 Ų | 117 | 76.6 Ų | 76.6 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -66.2 | -21.3 | -158.8 | -68.7 | -176.1 | 177.3 | -177.4 | 0 | 113 | P12 | P12-K14 WeakPolarHBondContact O-CA 3.33Å; P12-K14 WeakPolarHBondContact O-CG 3.03Å; P12-K14 PolarHBondContact O-N 3.36Å |
| 15 | H | 78 | Confident | 68.9 | Low | 59 Ų | 59 | 67.9 Ų | 67.9 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 123.2 | -174.9 | -175.3 | -84.8 | 0 | 0 | 0 | 108.2 | I13 P454 S496 L498 | I13-H15 PolarHBondContact O-N 3.2Å; I13-H15 VanDerWaalsContact O-N 3.08Å; H15-P454 WeakPolarHBondContact CE1-CG 3.32Å; H15-P454 WeakPolarHBondContact NE2-CG 3.05Å; H15-S496 WeakPolarHBondContact NE2-CB 3.11Å; H15-S496 PolarHBondContact NE2-OG 3.48Å; H15-L498 WeakPolarHBondContact CD2-CD2 3.15Å |
| 16 | R | 90.6 | Very high | 71.9 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 15% | 0.151 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.2 | 167.9 | -72.8 | 165.5 | 178.4 | 162.4 | -5.9 | 107.8 | I13 E51 N52 V53 N54 S496 Q497 | I13-R16 HydrophobicContact CG2-CG 4.05Å; R16-E51 PolarHBondContact NH1-O 3.32Å; R16-N52 VanDerWaalsContact CD-OD1 3.31Å; R16-N52 WeakPolarHBondContact CD-OD1 3.43Å; R16-N52 PolarHBondContact NE-OD1 2.92Å; R16-V53 HydrophobicContact CB-CG2 3.78Å; R16-N54 WeakPolarHBondContact CB-OD1 3.41Å; R16-S496 CarbonylContact O-C 3.48Å; R16-S496 WeakPolarHBondContact O-CA 3.46Å; R16-Q497 HydrophobicContact CB-CB 4.06Å; R16-Q497 PolarHBondContact N-O 2.87Å; R16-Q497 VanDerWaalsContact N-O 3.08Å; R16-Q497 PolarHBondContact O-N 2.86Å |
| 17 | F | 93.1 | Very high | 74.9 | Confident | 65 Ų | 65 | 61 Ų | 61 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 123 | -171.3 | -173 | -112.5 | 0 | 0 | 0 | 110.9 | S19 N54 I493 V495 | F17-S19 VanDerWaalsContact CE1-CB 3.42Å; F17-N54 VanDerWaalsContact C-OD1 3.3Å; F17-N54 PolarHBondContact N-OD1 3.35Å; F17-N54 PolarHBondContact O-OD1 2.72Å; F17-I493 HydrophobicContact CZ-CG2 4.17Å; F17-V495 WeakPolarHBondContact CA-O 3.46Å; F17-V495 WeakPolarHBondContact CD2-O 3.33Å |
| 18 | F | 95.2 | Very high | 77.8 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.022 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.9 | 171.6 | 175.7 | -99.7 | 0 | 0 | 0 | 110.2 | K20 Y25 Y46 L48 V53 T56 F63 G494 V495 | F18-K20 HydrophobicContact CE2-CG 4.3Å; F18-K20 HydrophobicContact CZ-CG 3.84Å; F18-Y25 HydrophobicContact CD1-CE1 4.27Å; F18-Y25 AromaticContact CE1-CE1 3.89Å; F18-Y25 HydrophobicContact CE1-CE1 3.89Å; F18-Y46 HydrophobicContact CE1-CD1 4.15Å; F18-Y46 HydrophobicContact CE1-CD2 4.15Å; F18-Y46 HydrophobicContact CE1-CE1 4.27Å; F18-Y46 HydrophobicContact CE1-CE2 4.29Å; F18-Y46 HydrophobicContact CE1-CG 4.09Å; F18-Y46 AromaticContact CZ-CD1 3.76Å; F18-Y46 HydrophobicContact CZ-CD1 3.76Å; F18-Y46 AromaticContact CZ-CE1 3.77Å; F18-Y46 HydrophobicContact CZ-CE1 3.77Å; F18-Y46 HydrophobicContact CZ-CG 4.17Å; F18-L48 HydrophobicContact CB-CD1 4.02Å; F18-L48 HydrophobicContact CD1-CD1 3.62Å; F18-L48 HydrophobicContact CD1-CD2 4.01Å; F18-L48 HydrophobicContact CD1-CG 4.46Å; F18-L48 HydrophobicContact CD2-CD2 4Å; F18-L48 HydrophobicContact CE1-CD1 4.2Å; F18-L48 HydrophobicContact CE1-CD2 3.89Å; F18-L48 HydrophobicContact CE2-CD2 3.9Å; F18-L48 HydrophobicContact CG-CD1 3.79Å; F18-L48 HydrophobicContact CG-CD2 4.05Å; F18-L48 HydrophobicContact CZ-CD2 3.84Å; F18-V53 HydrophobicContact CB-CB 4.26Å; F18-V53 HydrophobicContact CB-CG2 4.42Å; F18-T56 HydrophobicContact CD2-CG2 3.98Å; F18-T56 HydrophobicContact CE2-CG2 3.7Å; F18-F63 AromaticContact CE2-CE2 3.84Å; F18-F63 HydrophobicContact CE2-CE2 3.84Å; F18-F63 HydrophobicContact CE2-CZ 4.39Å; F18-F63 HydrophobicContact CZ-CE2 4.11Å; F18-G494 CarbonylContact O-C 3.49Å; F18-G494 WeakPolarHBondContact O-CA 3.14Å; F18-V495 PolarHBondContact N-O 2.93Å; F18-V495 PolarHBondContact O-N 2.8Å |
| 19 | S | 95 | Very high | 80.3 | Confident | 43 Ų | 43 | 55 Ų | 55 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | trans | -154.7 | 144.6 | 171.8 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | F17 G21 I493 | F17-S19 VanDerWaalsContact CE1-CB 3.42Å; S19-G21 PolarHBondContact OG-N 3.08Å; S19-G21 VanDerWaalsContact OG-N 3.1Å; S19-G21 PolarHBondContact OG-O 3.32Å; S19-I493 VanDerWaalsContact CB-O 3.22Å; S19-I493 WeakPolarHBondContact CB-O 3.35Å; S19-I493 PolarHBondContact OG-O 2.82Å | ||
| 20 | K | 94.9 | Very high | 82.9 | Confident | 104 Ų | 104 | 49.1 Ų | 49.1 | 45% | 0.452 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -121.3 | 25.9 | 169 | -65.8 | -74.5 | -172 | 165 | 0 | 110.4 | F18 L23 Y25 Y46 | F18-K20 HydrophobicContact CE2-CG 4.3Å; F18-K20 HydrophobicContact CZ-CG 3.84Å; K20-L23 HydrophobicContact CB-CD1 3.96Å; K20-Y25 PolarHBondContact N-OH 3.21Å; K20-Y46 HydrophobicContact CG-CE1 4.43Å |
| 21 | G | 92.7 | Very high | 85.3 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 104.9 | -174.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S19 L23 Y25 | S19-G21 PolarHBondContact OG-N 3.08Å; S19-G21 VanDerWaalsContact OG-N 3.1Å; S19-G21 PolarHBondContact OG-O 3.32Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.12Å; G21-Y25 WeakPolarHBondContact O-CE2 3.4Å |
| 22 | K | 94.5 | Very high | 87.2 | Confident | 104 Ų | 104 | 50.1 Ų | 50.1 | 45% | 0.452 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -77.5 | 83.9 | 178.8 | -171.1 | 174.8 | -178.5 | 166.8 | 0 | 110.4 | E457 | K22-E457 IonicContact NZ-OE1 3.96Š|
| 23 | L | 96.6 | Very high | 88.9 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | trans | -108 | 18.9 | -179.2 | -58.5 | -178.2 | 0 | 0 | 0 | 112.6 | K20 G21 Y25 A41 M42 D492 | K20-L23 HydrophobicContact CB-CD1 3.96Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.12Å; L23-Y25 HydrophobicContact CB-CE2 3.98Å; L23-Y25 PolarHBondContact O-N 3.48Å; L23-A41 HydrophobicContact CB-CB 4.12Å; L23-A41 CarbonylContact O-C 3.49Å; L23-A41 WeakPolarHBondContact O-CB 3.44Å; L23-M42 HydrophobicContact CD2-CE 4.28Å; L23-M42 VanDerWaalsContact O-CB 3.23Å; L23-M42 WeakPolarHBondContact O-CB 3.29Å; L23-M42 PolarHBondContact O-N 3.32Å; L23-D492 PolarHBondContact N-O 3.39Å | ||
| 24 | Y | 96.8 | Very high | 90.5 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 18% | 0.184 | 26% | 0.264 | C | S | . | . | trans | 54.4 | 58.7 | 174.1 | -60.6 | -87.2 | 0 | 0 | 0 | 113.2 | R26 M42 L87 D492 | Y24-R26 VanDerWaalsContact C-N 3.33Å; Y24-R26 WeakPolarHBondContact O-CG 3.5Å; Y24-R26 PolarHBondContact O-N 3.24Å; Y24-M42 HydrophobicContact CD2-CB 4.24Å; Y24-M42 HydrophobicContact CD2-CE 4.21Å; Y24-M42 HydrophobicContact CD2-SD 3.77Å; Y24-M42 HydrophobicContact CE2-CE 4.37Å; Y24-M42 HydrophobicContact CE2-SD 4.07Å; Y24-L87 HydrophobicContact CD1-CD1 4.12Å; Y24-L87 HydrophobicContact CD2-CD1 3.97Å; Y24-L87 HydrophobicContact CE1-CD1 3.79Å; Y24-L87 HydrophobicContact CE2-CD1 3.61Å; Y24-L87 HydrophobicContact CG-CD1 4.21Å; Y24-D492 WeakPolarHBondContact CA-O 3.39Å; Y24-D492 HydrophobicContact CD1-CB 3.9Å; Y24-D492 WeakPolarHBondContact CD1-OD2 2.99Å; Y24-D492 HydrophobicContact CE1-CB 4.34Å; Y24-D492 HydrophobicContact CG-CB 4.48Å; Y24-D492 PolarHBondContact N-O 3.28Å | ||
| 25 | Y | 97.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -69.9 | 84.9 | 178.7 | -54.5 | -93.8 | 0 | 0 | 0 | 110.8 | F18 K20 G21 L23 V39 A41 Y46 S490 Q491 I493 V495 | F18-Y25 HydrophobicContact CD1-CE1 4.27Å; F18-Y25 AromaticContact CE1-CE1 3.89Å; F18-Y25 HydrophobicContact CE1-CE1 3.89Å; K20-Y25 PolarHBondContact N-OH 3.21Å; G21-Y25 WeakPolarHBondContact O-CE2 3.4Å; L23-Y25 HydrophobicContact CB-CE2 3.98Å; L23-Y25 PolarHBondContact O-N 3.48Å; Y25-V39 HydrophobicContact CD1-CG1 3.68Å; Y25-V39 HydrophobicContact CG-CG1 4.41Å; Y25-A41 HydrophobicContact CD1-CB 3.8Å; Y25-A41 HydrophobicContact CE1-CB 3.99Å; Y25-A41 HydrophobicContact CG-CB 4.4Å; Y25-Y46 HydrophobicContact CE1-CD2 4.15Å; Y25-Y46 AromaticContact CE1-CE2 3.83Å; Y25-Y46 HydrophobicContact CE1-CE2 3.83Å; Y25-S490 WeakPolarHBondContact O-CB 3.29Å; Y25-S490 PolarHBondContact O-OG 2.71Å; Y25-Q491 WeakPolarHBondContact CB-O 3.37Å; Y25-I493 WeakPolarHBondContact CE2-O 3.36Å; Y25-V495 HydrophobicContact CD1-CG2 4.34Å; Y25-V495 HydrophobicContact CG-CG2 4.39Å | ||
| 26 | R | 95.1 | Very high | 91.9 | Very high | 31 Ų | 31 | 50 Ų | 50 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | trans | -107.2 | -12.6 | -165.7 | -74.2 | 177.9 | 174.5 | -170.2 | 0.7 | 115.1 | Y24 G40 P141 D142 Q460 D492 | Y24-R26 VanDerWaalsContact C-N 3.33Å; Y24-R26 WeakPolarHBondContact O-CG 3.5Å; Y24-R26 PolarHBondContact O-N 3.24Å; R26-G40 PolarHBondContact N-O 2.84Å; R26-P141 PolarHBondContact NH1-O 3.48Å; R26-D142 IonicContact CZ-OD1 3.61Å; R26-D142 IonicContact NH1-OD1 3.91Å; R26-D142 PolarHBondContact NH1-OD1 3.16Å; R26-D142 IonicContact NH2-OD1 3.77Å; R26-D142 PolarHBondContact NH2-OD1 2.99Å; R26-Q460 HydrophobicContact CB-CB 4.49Å; R26-Q460 HydrophobicContact CG-CB 4.22Å; R26-Q460 HydrophobicContact CG-CG 3.98Å; R26-D492 IonicContact CZ-OD1 3.69Å; R26-D492 IonicContact NE-OD1 3.59Å; R26-D492 PolarHBondContact NE-OD1 3.41Å; R26-D492 IonicContact NH2-OD1 2.73Å; R26-D492 IonicContact NH2-OD2 3.25Å | ||
| 27 | V | 95.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 130.6 | -178.1 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | G40 V93 I96 | V27-G40 PolarHBondContact O-N 3.32Å; V27-V93 WeakPolarHBondContact CG2-O 3.42Å; V27-I96 HydrophobicContact CB-CD1 4.16Å; V27-I96 HydrophobicContact CG1-CD1 3.85Å; V27-I96 HydrophobicContact CG1-CG1 4.11Å |
| 28 | L | 96.9 | Very high | 92.4 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.5 | 172.7 | -60.8 | 179.8 | 0 | 0 | 0 | 108.4 | L37 Y38 V39 A461 E463 V495 | L28-L37 HydrophobicContact CB-CD1 4.23Å; L28-L37 HydrophobicContact CD2-CD1 4.27Å; L28-L37 HydrophobicContact CD2-CD2 4.48Å; L28-L37 HydrophobicContact CD2-CG 4.49Å; L28-Y38 WeakPolarHBondContact CA-O 3.36Å; L28-V39 HydrophobicContact CD2-CB 4.17Å; L28-V39 HydrophobicContact CD2-CG1 3.85Å; L28-V39 HydrophobicContact CD2-CG2 3.68Å; L28-A461 HydrophobicContact CB-CB 4.27Å; L28-A461 HydrophobicContact CD1-CB 3.99Å; L28-A461 HydrophobicContact CG-CB 3.87Å; L28-E463 HydrophobicContact CB-CG 3.68Å; L28-E463 HydrophobicContact CD1-CB 4.41Å; L28-E463 HydrophobicContact CD1-CG 4.28Å; L28-V495 HydrophobicContact CD2-CG1 4.45Å; L28-V495 HydrophobicContact CD2-CG2 4.17Å |
| 29 | L | 95.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.1 | 163 | 173.5 | 71.5 | 0 | 0 | 0 | 107.6 | Y38 I96 R98 L104 | L29-Y38 HydrophobicContact CB-CD2 4.44Å; L29-Y38 HydrophobicContact CD2-CD2 4.13Å; L29-Y38 HydrophobicContact CG-CD2 4.3Å; L29-Y38 PolarHBondContact N-O 2.96Å; L29-Y38 PolarHBondContact O-N 2.94Å; L29-I96 HydrophobicContact CB-CB 4Å; L29-I96 HydrophobicContact CB-CG2 3.88Å; L29-I96 HydrophobicContact CD2-CB 4.26Å; L29-I96 HydrophobicContact CD2-CG2 3.52Å; L29-I96 HydrophobicContact CG-CG2 4.35Å; L29-R98 HydrophobicContact CD2-CB 4.28Å; L29-L104 HydrophobicContact CD2-CD2 3.98Å |
| 30 | L | 92 | Very high | 92.6 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.2 | 178.1 | -175.1 | 69.2 | 0 | 0 | 0 | 109.9 | L37 V50 E463 L464 L465 Y488 | L30-L37 HydrophobicContact CB-CD1 4.43Å; L30-L37 HydrophobicContact CD1-CB 4.47Å; L30-L37 HydrophobicContact CD1-CD1 4.02Å; L30-V50 HydrophobicContact CD1-CG1 4.14Å; L30-E463 HydrophobicContact CB-CB 4.26Å; L30-E463 HydrophobicContact CB-CG 4.35Å; L30-E463 HydrophobicContact CD2-CB 4.38Å; L30-L464 VanDerWaalsContact CD2-C 3.42Å; L30-L464 WeakPolarHBondContact CD2-O 3.34Å; L30-L465 HydrophobicContact CD1-CB 3.91Å; L30-L465 HydrophobicContact CD1-CD1 4.36Å; L30-L465 HydrophobicContact CD1-CD2 3.77Å; L30-L465 HydrophobicContact CD1-CG 4.17Å; L30-L465 HydrophobicContact CD2-CB 3.43Å; L30-L465 VanDerWaalsContact CD2-CB 3.43Å; L30-L465 HydrophobicContact CD2-CD1 3.77Å; L30-L465 HydrophobicContact CD2-CG 4.03Å; L30-L465 HydrophobicContact CG-CB 4.11Å; L30-L465 HydrophobicContact CG-CD1 4.03Å; L30-L465 HydrophobicContact CG-CD2 4.34Å; L30-L465 HydrophobicContact CG-CG 4.33Å; L30-Y488 HydrophobicContact CD1-CD2 4.34Å; L30-Y488 HydrophobicContact CD1-CE2 4.2Å |
| 31 | D | 88.6 | Confident | 92.8 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 105.9 | 173.9 | -172.9 | -23.5 | 0 | 0 | 0 | 109.7 | E33 A34 K35 A36 Y38 R98 | D31-E33 VanDerWaalsContact C-N 3.34Å; D31-E33 WeakPolarHBondContact OD1-CB 3.15Å; D31-E33 PolarHBondContact OD1-N 2.89Å; D31-A34 HydrophobicContact CB-CB 4Å; D31-A34 VanDerWaalsContact CG-CB 3.45Å; D31-A34 PolarHBondContact OD1-N 3.36Å; D31-A34 WeakPolarHBondContact OD2-CB 3.41Å; D31-K35 WeakPolarHBondContact O-CA 3.49Å; D31-K35 PolarHBondContact O-N 3.22Å; D31-A36 PolarHBondContact N-O 3.36Å; D31-A36 PolarHBondContact O-N 3.14Å; D31-Y38 HydrophobicContact CB-CD2 4.44Å; D31-Y38 HydrophobicContact CB-CE2 3.73Å; D31-R98 IonicContact OD1-CZ 3.6Å; D31-R98 IonicContact OD1-NE 2.74Å; D31-R98 IonicContact OD1-NH2 2.96Å; D31-R98 WeakPolarHBondContact OD2-CD 3.4Å; D31-R98 IonicContact OD2-CZ 2.82Å; D31-R98 IonicContact OD2-NE 3.9Å; D31-R98 PolarHBondContact OD2-NE 2.73Å; D31-R98 IonicContact OD2-NH2 3.32Å |
| 32 | Q | 82.8 | Confident | 93 | Very high | 131 Ų | 131 | 37.3 Ų | 37.3 | 61% | 0.612 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -33.1 | -179.9 | -178.3 | 168.8 | 9.1 | 0 | 0 | 112.5 | L465 | Q32-L465 HydrophobicContact CB-CD1 3.79Å; Q32-L465 HydrophobicContact CG-CD1 3.83Å |
| 33 | E | 81.6 | Confident | 93.2 | Very high | 151 Ų | 151 | 33.2 Ų | 33.2 | 71% | 0.706 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -46.3 | -179.8 | -66.9 | 178.4 | 179.2 | 0 | 0 | 110.5 | D31 K35 R98 | D31-E33 VanDerWaalsContact C-N 3.34Å; D31-E33 WeakPolarHBondContact OD1-CB 3.15Å; D31-E33 PolarHBondContact OD1-N 2.89Å; E33-K35 PolarHBondContact O-N 3.33Å; E33-R98 IonicContact OE2-CZ 3.53Å; E33-R98 VanDerWaalsContact OE2-CZ 3.22Å; E33-R98 IonicContact OE2-NH1 3.43Å; E33-R98 PolarHBondContact OE2-NH1 2.79Å; E33-R98 IonicContact OE2-NH2 2.71Å; E33-R98 PolarHBondContact OE2-NH2 2.79Å |
| 34 | A | 82.7 | Confident | 93.2 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 34% | 0.339 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -8.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D31 A36 | D31-A34 HydrophobicContact CB-CB 4Å; D31-A34 VanDerWaalsContact CG-CB 3.45Å; D31-A34 PolarHBondContact OD1-N 3.36Å; D31-A34 WeakPolarHBondContact OD2-CB 3.41Å; A34-A36 HydrophobicContact CB-CB 4.07Å; A34-A36 PolarHBondContact O-N 3.24Å |
| 35 | K | 82.9 | Confident | 93.3 | Very high | 108 Ų | 108 | 29.9 Ų | 29.9 | 47% | 0.47 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 46.5 | -170.9 | -62.7 | -176.8 | 178.9 | -177.2 | 0 | 111.5 | D31 E33 V50 | D31-K35 WeakPolarHBondContact O-CA 3.49Å; D31-K35 PolarHBondContact O-N 3.22Å; E33-K35 PolarHBondContact O-N 3.33Å; K35-V50 HydrophobicContact CB-CG2 3.91Å; K35-V50 WeakPolarHBondContact O-CG1 3.44Å; K35-V50 VanDerWaalsContact O-CG2 3.23Å; K35-V50 WeakPolarHBondContact O-CG2 3.43Å |
| 36 | A | 89.9 | Confident | 93.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | D31 A34 Y38 K47 | D31-A36 PolarHBondContact N-O 3.36Å; D31-A36 PolarHBondContact O-N 3.14Å; A34-A36 HydrophobicContact CB-CB 4.07Å; A34-A36 PolarHBondContact O-N 3.24Å; A36-Y38 HydrophobicContact CB-CE1 4.37Å; A36-Y38 HydrophobicContact CB-CE2 4.03Å; A36-K47 HydrophobicContact CB-CD 4.3Å; A36-K47 HydrophobicContact CB-CG 4.01Å |
| 37 | L | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.4 | 168.1 | 178.3 | 69.6 | 0 | 0 | 0 | 108.3 | L28 L30 V39 L48 V50 V53 Y488 V495 | L28-L37 HydrophobicContact CB-CD1 4.23Å; L28-L37 HydrophobicContact CD2-CD1 4.27Å; L28-L37 HydrophobicContact CD2-CD2 4.48Å; L28-L37 HydrophobicContact CD2-CG 4.49Å; L30-L37 HydrophobicContact CB-CD1 4.43Å; L30-L37 HydrophobicContact CD1-CB 4.47Å; L30-L37 HydrophobicContact CD1-CD1 4.02Å; L37-V39 HydrophobicContact CD2-CG2 4.13Å; L37-V39 HydrophobicContact CG-CG2 3.93Å; L37-L48 HydrophobicContact CB-CB 4.36Å; L37-L48 HydrophobicContact CD2-CD1 4.45Å; L37-L48 PolarHBondContact N-O 2.68Å; L37-L48 VanDerWaalsContact N-O 3.13Å; L37-L48 PolarHBondContact O-N 3.29Å; L37-V50 HydrophobicContact CB-CG1 4.04Å; L37-V53 HydrophobicContact CD2-CG1 4.46Å; L37-Y488 HydrophobicContact CD1-CG 4.48Å; L37-Y488 HydrophobicContact CD2-CD1 3.57Å; L37-Y488 HydrophobicContact CD2-CE1 4.22Å; L37-Y488 HydrophobicContact CD2-CG 3.86Å; L37-V495 HydrophobicContact CD2-CG1 4.07Å |
| 38 | Y | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132.8 | 173.4 | -56.1 | -76.4 | 0 | 0 | 0 | 109.8 | L28 L29 D31 A36 F45 Y46 K47 L104 G121 M124 | L28-Y38 WeakPolarHBondContact CA-O 3.36Å; L29-Y38 HydrophobicContact CB-CD2 4.44Å; L29-Y38 HydrophobicContact CD2-CD2 4.13Å; L29-Y38 HydrophobicContact CG-CD2 4.3Å; L29-Y38 PolarHBondContact N-O 2.96Å; L29-Y38 PolarHBondContact O-N 2.94Å; D31-Y38 HydrophobicContact CB-CD2 4.44Å; D31-Y38 HydrophobicContact CB-CE2 3.73Å; A36-Y38 HydrophobicContact CB-CE1 4.37Å; A36-Y38 HydrophobicContact CB-CE2 4.03Å; Y38-F45 AromaticContact CD1-CZ 3.98Å; Y38-F45 HydrophobicContact CD1-CZ 3.98Å; Y38-F45 HydrophobicContact CG-CZ 4.15Å; Y38-Y46 CarbonylContact C-O 3.59Å; Y38-Y46 VanDerWaalsContact CA-O 3.3Å; Y38-Y46 WeakPolarHBondContact CA-O 3.31Å; Y38-K47 HydrophobicContact CD1-CB 4.08Å; Y38-K47 HydrophobicContact CD1-CG 4.04Å; Y38-K47 HydrophobicContact CE1-CB 4.13Å; Y38-K47 HydrophobicContact CE1-CD 3.86Å; Y38-K47 HydrophobicContact CE1-CG 3.72Å; Y38-L104 HydrophobicContact CD1-CD1 3.6Å; Y38-L104 HydrophobicContact CD2-CD1 4.3Å; Y38-L104 HydrophobicContact CD2-CD2 4.22Å; Y38-L104 HydrophobicContact CE1-CD1 3.47Å; Y38-L104 VanDerWaalsContact CE1-CD1 3.47Å; Y38-L104 HydrophobicContact CE2-CD1 4.19Å; Y38-L104 HydrophobicContact CE2-CD2 3.95Å; Y38-L104 HydrophobicContact CG-CD1 4.03Å; Y38-G121 PolarHBondContact OH-O 3.22Å; Y38-M124 HydrophobicContact CD1-SD 3.68Å; Y38-M124 HydrophobicContact CE1-SD 3.66Å |
| 39 | V | 98 | Very high | 92.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 116.6 | -174.4 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | Y25 L28 L37 F45 Y46 L48 V495 | Y25-V39 HydrophobicContact CD1-CG1 3.68Å; Y25-V39 HydrophobicContact CG-CG1 4.41Å; L28-V39 HydrophobicContact CD2-CB 4.17Å; L28-V39 HydrophobicContact CD2-CG1 3.85Å; L28-V39 HydrophobicContact CD2-CG2 3.68Å; L37-V39 HydrophobicContact CD2-CG2 4.13Å; L37-V39 HydrophobicContact CG-CG2 3.93Å; V39-F45 VanDerWaalsContact O-CD2 3.29Å; V39-F45 WeakPolarHBondContact O-CD2 3.41Å; V39-Y46 PolarHBondContact N-O 3.36Å; V39-Y46 PolarHBondContact O-N 3.31Å; V39-L48 HydrophobicContact CG2-CD1 3.62Å; V39-L48 HydrophobicContact CG2-CG 3.93Å; V39-V495 HydrophobicContact CG1-CG2 3.79Å; V39-V495 HydrophobicContact CG2-CG2 4.26Å |
| 40 | G | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R26 V27 V93 | R26-G40 PolarHBondContact N-O 2.84Å; V27-G40 PolarHBondContact O-N 3.32Å; G40-V93 VanDerWaalsContact CA-CB 3.46Å |
| 41 | A | 97.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | trans | -129.4 | 178.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L23 Y25 T44 Y46 V93 | L23-A41 HydrophobicContact CB-CB 4.12Å; L23-A41 CarbonylContact O-C 3.49Å; L23-A41 WeakPolarHBondContact O-CB 3.44Å; Y25-A41 HydrophobicContact CD1-CB 3.8Å; Y25-A41 HydrophobicContact CE1-CB 3.99Å; Y25-A41 HydrophobicContact CG-CB 4.4Å; A41-T44 CarbonylContact C-O 3.53Å; A41-T44 WeakPolarHBondContact CA-O 3.37Å; A41-T44 WeakPolarHBondContact CB-O 3.27Å; A41-T44 PolarHBondContact N-O 2.79Å; A41-Y46 HydrophobicContact CB-CD2 4.37Å; A41-Y46 HydrophobicContact CB-CE2 4.07Å; A41-V93 PolarHBondContact O-N 3.04Å | ||
| 42 | M | 97.8 | Very high | 92.3 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 12% | 0.118 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -70.6 | 123.3 | 169.5 | -173.1 | 176.8 | 74.9 | 0 | 0 | 109.4 | L23 Y24 T44 Q90 H92 | L23-M42 HydrophobicContact CD2-CE 4.28Å; L23-M42 VanDerWaalsContact O-CB 3.23Å; L23-M42 WeakPolarHBondContact O-CB 3.29Å; L23-M42 PolarHBondContact O-N 3.32Å; Y24-M42 HydrophobicContact CD2-CB 4.24Å; Y24-M42 HydrophobicContact CD2-CE 4.21Å; Y24-M42 HydrophobicContact CD2-SD 3.77Å; Y24-M42 HydrophobicContact CE2-CE 4.37Å; Y24-M42 HydrophobicContact CE2-SD 4.07Å; M42-T44 PolarHBondContact O-N 2.94Å; M42-Q90 HydrophobicContact CG-CB 3.6Å; M42-Q90 HydrophobicContact CG-CG 4.19Å; M42-Q90 HydrophobicContact SD-CB 3.73Å; M42-Q90 HydrophobicContact SD-CG 3.7Å; M42-H92 VanDerWaalsContact CG-CE1 3.43Å; M42-H92 WeakPolarHBondContact CG-CE1 3.5Å; M42-H92 VanDerWaalsContact SD-CE1 3.55Å |
| 43 | N | 97.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 10% | 0.096 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 60.7 | 5.3 | 179.6 | -61.2 | -31.1 | 0 | 0 | 0 | 115.5 | M68 K69 P70 Q90 N91 | N43-M68 CarbonylContact O-C 3.52Å; N43-M68 PolarHBondContact O-N 2.92Å; N43-K69 HydrophobicContact CB-CG 3.82Å; N43-P70 WeakPolarHBondContact OD1-CD 3.44Å; N43-Q90 PolarHBondContact ND2-OE1 3.29Å; N43-N91 WeakPolarHBondContact CA-O 3.4Å; N43-N91 PolarHBondContact N-O 3.26Å; N43-N91 PolarHBondContact OD1-N 3.19Å |
| 44 | T | 97.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 8% | 0.08 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 142.8 | -175.5 | -44.6 | 0 | 0 | 0 | 0 | 111.7 | A41 M42 Y46 E65 L66 | A41-T44 CarbonylContact C-O 3.53Å; A41-T44 WeakPolarHBondContact CA-O 3.37Å; A41-T44 WeakPolarHBondContact CB-O 3.27Å; A41-T44 PolarHBondContact N-O 2.79Å; M42-T44 PolarHBondContact O-N 2.94Å; T44-Y46 HydrophobicContact CG2-CD1 4.31Å; T44-Y46 HydrophobicContact CG2-CD2 4.2Å; T44-Y46 HydrophobicContact CG2-CE1 3.72Å; T44-Y46 HydrophobicContact CG2-CE2 3.58Å; T44-Y46 WeakPolarHBondContact CG2-OH 3.29Å; T44-E65 HydrophobicContact CG2-CG 3.69Å; T44-L66 WeakPolarHBondContact CA-O 3.31Å; T44-L66 WeakPolarHBondContact CG2-O 3.32Å |
| 45 | F | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 126.6 | 173.8 | -178 | -132 | 0 | 0 | 0 | 109.7 | Y38 V39 L66 M68 V93 I96 L104 V106 L119 M124 | Y38-F45 AromaticContact CD1-CZ 3.98Å; Y38-F45 HydrophobicContact CD1-CZ 3.98Å; Y38-F45 HydrophobicContact CG-CZ 4.15Å; V39-F45 VanDerWaalsContact O-CD2 3.29Å; V39-F45 WeakPolarHBondContact O-CD2 3.41Å; F45-L66 HydrophobicContact CB-CB 4.43Å; F45-L66 PolarHBondContact N-O 3.34Å; F45-L66 PolarHBondContact O-N 3.42Å; F45-M68 HydrophobicContact CB-CG 4.44Å; F45-M68 HydrophobicContact CB-SD 3.69Å; F45-V93 HydrophobicContact CB-CG2 4.18Å; F45-V93 HydrophobicContact CD2-CG1 4.42Å; F45-V93 HydrophobicContact CD2-CG2 4.43Å; F45-I96 HydrophobicContact CD2-CD1 4.29Å; F45-I96 HydrophobicContact CE2-CD1 3.5Å; F45-I96 HydrophobicContact CE2-CG1 3.92Å; F45-I96 HydrophobicContact CE2-CG2 4.24Å; F45-I96 HydrophobicContact CZ-CD1 4.3Å; F45-I96 HydrophobicContact CZ-CG1 4.4Å; F45-I96 HydrophobicContact CZ-CG2 3.95Å; F45-L104 HydrophobicContact CE1-CD1 4.04Å; F45-L104 HydrophobicContact CZ-CD1 4.04Å; F45-V106 HydrophobicContact CE1-CG2 4.03Å; F45-V106 HydrophobicContact CZ-CG2 4.24Å; F45-L119 HydrophobicContact CD1-CD1 3.48Å; F45-L119 VanDerWaalsContact CD1-CD1 3.48Å; F45-L119 HydrophobicContact CE1-CD1 3.47Å; F45-L119 VanDerWaalsContact CE1-CD1 3.47Å; F45-M124 HydrophobicContact CD1-CE 3.13Å; F45-M124 HydrophobicContact CD1-SD 4.07Å; F45-M124 HydrophobicContact CE1-CE 3.18Å; F45-M124 HydrophobicContact CE1-SD 3.5Å; F45-M124 VanDerWaalsContact CE1-SD 3.5Å; F45-M124 HydrophobicContact CG-CE 3.91Å; F45-M124 HydrophobicContact CZ-CE 3.99Å; F45-M124 HydrophobicContact CZ-SD 4.2Å |
| 46 | Y | 97.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.6 | -174.2 | -61.2 | -83.8 | 0 | 0 | 0 | 111.9 | F18 K20 Y25 Y38 V39 A41 T44 F63 Y64 E65 | F18-Y46 HydrophobicContact CE1-CD1 4.15Å; F18-Y46 HydrophobicContact CE1-CD2 4.15Å; F18-Y46 HydrophobicContact CE1-CE1 4.27Å; F18-Y46 HydrophobicContact CE1-CE2 4.29Å; F18-Y46 HydrophobicContact CE1-CG 4.09Å; F18-Y46 AromaticContact CZ-CD1 3.76Å; F18-Y46 HydrophobicContact CZ-CD1 3.76Å; F18-Y46 AromaticContact CZ-CE1 3.77Å; F18-Y46 HydrophobicContact CZ-CE1 3.77Å; F18-Y46 HydrophobicContact CZ-CG 4.17Å; K20-Y46 HydrophobicContact CG-CE1 4.43Å; Y25-Y46 HydrophobicContact CE1-CD2 4.15Å; Y25-Y46 AromaticContact CE1-CE2 3.83Å; Y25-Y46 HydrophobicContact CE1-CE2 3.83Å; Y38-Y46 CarbonylContact C-O 3.59Å; Y38-Y46 VanDerWaalsContact CA-O 3.3Å; Y38-Y46 WeakPolarHBondContact CA-O 3.31Å; V39-Y46 PolarHBondContact N-O 3.36Å; V39-Y46 PolarHBondContact O-N 3.31Å; A41-Y46 HydrophobicContact CB-CD2 4.37Å; A41-Y46 HydrophobicContact CB-CE2 4.07Å; T44-Y46 HydrophobicContact CG2-CD1 4.31Å; T44-Y46 HydrophobicContact CG2-CD2 4.2Å; T44-Y46 HydrophobicContact CG2-CE1 3.72Å; T44-Y46 HydrophobicContact CG2-CE2 3.58Å; T44-Y46 WeakPolarHBondContact CG2-OH 3.29Å; Y46-F63 HydrophobicContact CD1-CE2 4.28Å; Y46-F63 HydrophobicContact CD1-CZ 4.22Å; Y46-Y64 WeakPolarHBondContact CA-O 3.26Å; Y46-E65 HydrophobicContact CD1-CB 4.03Å; Y46-E65 HydrophobicContact CD1-CG 4.06Å; Y46-E65 HydrophobicContact CE1-CB 3.97Å; Y46-E65 VanDerWaalsContact CE1-CD 3.41Å; Y46-E65 HydrophobicContact CE1-CG 3.53Å; Y46-E65 VanDerWaalsContact CE1-OE1 3.32Å; Y46-E65 WeakPolarHBondContact CE1-OE1 3.47Å; Y46-E65 PolarHBondContact OH-OE1 2.88Å |
| 47 | K | 95.8 | Very high | 93.8 | Very high | 17 Ų | 17 | 20.4 Ų | 20.4 | 7% | 0.074 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119 | 158 | -175.8 | -176.9 | 176.1 | -159.6 | 0 | 107.2 | A36 Y38 G61 F63 Y64 T122 M124 | A36-K47 HydrophobicContact CB-CD 4.3Å; A36-K47 HydrophobicContact CB-CG 4.01Å; Y38-K47 HydrophobicContact CD1-CB 4.08Å; Y38-K47 HydrophobicContact CD1-CG 4.04Å; Y38-K47 HydrophobicContact CE1-CB 4.13Å; Y38-K47 HydrophobicContact CE1-CD 3.86Å; Y38-K47 HydrophobicContact CE1-CG 3.72Å; K47-G61 PolarHBondContact NZ-O 3.28Å; K47-F63 VanDerWaalsContact O-CA 3.28Å; K47-F63 WeakPolarHBondContact O-CA 3.49Å; K47-Y64 HydrophobicContact CB-CD2 4.33Å; K47-Y64 HydrophobicContact CD-CD2 3.79Å; K47-Y64 HydrophobicContact CD-CE2 4.3Å; K47-Y64 PolarHBondContact N-O 3.07Å; K47-Y64 PolarHBondContact O-N 2.83Å; K47-T122 PolarHBondContact NZ-O 2.94Å; K47-M124 HydrophobicContact CB-CE 4.2Å; K47-M124 HydrophobicContact CB-CG 4.08Å; K47-M124 HydrophobicContact CB-SD 4.07Å; K47-M124 HydrophobicContact CD-CG 4.21Å |
| 48 | L | 95.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 151 | -179.1 | -55.5 | -174.9 | 0 | 0 | 0 | 111.5 | F18 L37 V39 V50 K62 F63 | F18-L48 HydrophobicContact CB-CD1 4.02Å; F18-L48 HydrophobicContact CD1-CD1 3.62Å; F18-L48 HydrophobicContact CD1-CD2 4.01Å; F18-L48 HydrophobicContact CD1-CG 4.46Å; F18-L48 HydrophobicContact CD2-CD2 4Å; F18-L48 HydrophobicContact CE1-CD1 4.2Å; F18-L48 HydrophobicContact CE1-CD2 3.89Å; F18-L48 HydrophobicContact CE2-CD2 3.9Å; F18-L48 HydrophobicContact CG-CD1 3.79Å; F18-L48 HydrophobicContact CG-CD2 4.05Å; F18-L48 HydrophobicContact CZ-CD2 3.84Å; L37-L48 HydrophobicContact CB-CB 4.36Å; L37-L48 HydrophobicContact CD2-CD1 4.45Å; L37-L48 PolarHBondContact N-O 2.68Å; L37-L48 VanDerWaalsContact N-O 3.13Å; L37-L48 PolarHBondContact O-N 3.29Å; V39-L48 HydrophobicContact CG2-CD1 3.62Å; V39-L48 HydrophobicContact CG2-CG 3.93Å; L48-V50 PolarHBondContact O-N 3.25Å; L48-K62 CarbonylContact C-O 3.59Å; L48-F63 HydrophobicContact CD2-CD2 3.82Å; L48-F63 HydrophobicContact CD2-CE2 3.64Å |
| 49 | N | 90.5 | Very high | 92.1 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 116.2 | 173.7 | -177.9 | 0.2 | 0 | 0 | 0 | 110.4 | E51 N52 V53 D55 K62 | N49-E51 PolarHBondContact O-N 3.34Å; N49-E51 WeakPolarHBondContact OD1-CB 3.23Å; N49-E51 PolarHBondContact OD1-N 2.88Å; N49-N52 CarbonylContact O-C 3.6Å; N49-N52 PolarHBondContact O-N 2.92Å; N49-V53 PolarHBondContact O-N 3.25Å; N49-D55 PolarHBondContact ND2-OD2 2.89Å; N49-K62 HydrophobicContact CB-CB 4.04Å; N49-K62 PolarHBondContact N-O 3.21Å |
| 50 | V | 89.6 | Confident | 91.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -28.7 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | L30 K35 L37 L48 N52 L465 V467 Y488 Q497 | L30-V50 HydrophobicContact CD1-CG1 4.14Å; K35-V50 HydrophobicContact CB-CG2 3.91Å; K35-V50 WeakPolarHBondContact O-CG1 3.44Å; K35-V50 VanDerWaalsContact O-CG2 3.23Å; K35-V50 WeakPolarHBondContact O-CG2 3.43Å; L37-V50 HydrophobicContact CB-CG1 4.04Å; L48-V50 PolarHBondContact O-N 3.25Å; V50-N52 VanDerWaalsContact C-N 3.32Å; V50-L465 HydrophobicContact CB-CD2 3.85Å; V50-L465 HydrophobicContact CG1-CD2 3.82Å; V50-L465 HydrophobicContact CG2-CD2 3.98Å; V50-V467 HydrophobicContact CB-CG2 4.49Å; V50-V467 HydrophobicContact CG2-CG2 4.28Å; V50-Y488 WeakPolarHBondContact CA-OH 3.3Å; V50-Y488 WeakPolarHBondContact CB-OH 3.43Å; V50-Y488 PolarHBondContact O-OH 3.09Å; V50-Q497 PolarHBondContact O-NE2 2.81Å |
| 51 | E | 85.2 | Confident | 90.6 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.7 | 179.1 | -62.3 | 174.3 | 159.6 | 0 | 0 | 112 | R16 N49 K62 V467 | R16-E51 PolarHBondContact NH1-O 3.32Å; N49-E51 PolarHBondContact O-N 3.34Å; N49-E51 WeakPolarHBondContact OD1-CB 3.23Å; N49-E51 PolarHBondContact OD1-N 2.88Å; E51-K62 IonicContact OE2-NZ 2.8Å; E51-K62 PolarHBondContact OE2-NZ 3.25Å; E51-V467 HydrophobicContact CG-CG1 4.15Å |
| 52 | N | 88.2 | Confident | 90.2 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | trans | -161.5 | 102.4 | 175.7 | -179.2 | 9.5 | 0 | 0 | 0 | 110.4 | R16 N49 V50 N54 D55 | R16-N52 VanDerWaalsContact CD-OD1 3.31Å; R16-N52 WeakPolarHBondContact CD-OD1 3.43Å; R16-N52 PolarHBondContact NE-OD1 2.92Å; N49-N52 CarbonylContact O-C 3.6Å; N49-N52 PolarHBondContact O-N 2.92Å; V50-N52 VanDerWaalsContact C-N 3.32Å; N52-N54 PolarHBondContact O-N 3.18Å; N52-N54 VanDerWaalsContact O-N 3.16Å; N52-N54 WeakPolarHBondContact OD1-CB 3.48Å; N52-N54 PolarHBondContact OD1-N 3.35Å; N52-N54 VanDerWaalsContact OD1-N 3.13Å; N52-D55 HydrophobicContact CB-CB 4.14Å; N52-D55 VanDerWaalsContact O-CB 3.28Å; N52-D55 WeakPolarHBondContact O-CB 3.2Å; N52-D55 PolarHBondContact O-N 3.05Å | ||
| 53 | V | 92 | Very high | 90 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -18.7 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | R16 F18 L37 N49 D55 Y488 Q497 | R16-V53 HydrophobicContact CB-CG2 3.78Å; F18-V53 HydrophobicContact CB-CB 4.26Å; F18-V53 HydrophobicContact CB-CG2 4.42Å; L37-V53 HydrophobicContact CD2-CG1 4.46Å; N49-V53 PolarHBondContact O-N 3.25Å; V53-D55 PolarHBondContact O-N 2.87Å; V53-Y488 HydrophobicContact CG1-CD1 3.96Å; V53-Y488 HydrophobicContact CG1-CE1 3.72Å; V53-Q497 HydrophobicContact CB-CB 4.49Å; V53-Q497 HydrophobicContact CG1-CB 4.01Å; V53-Q497 HydrophobicContact CG2-CB 3.63Å; V53-Q497 VanDerWaalsContact N-OE1 3.16Å |
| 54 | N | 91.4 | Very high | 89.9 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 43% | 0.433 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.2 | 174.9 | -64.1 | 17.5 | 0 | 0 | 0 | 112.4 | R16 F17 N52 T56 | R16-N54 WeakPolarHBondContact CB-OD1 3.41Å; F17-N54 VanDerWaalsContact C-OD1 3.3Å; F17-N54 PolarHBondContact N-OD1 3.35Å; F17-N54 PolarHBondContact O-OD1 2.72Å; N52-N54 PolarHBondContact O-N 3.18Å; N52-N54 VanDerWaalsContact O-N 3.16Å; N52-N54 WeakPolarHBondContact OD1-CB 3.48Å; N52-N54 PolarHBondContact OD1-N 3.35Å; N52-N54 VanDerWaalsContact OD1-N 3.13Å; N54-T56 PolarHBondContact O-N 2.97Å; N54-T56 VanDerWaalsContact O-N 3.09Å |
| 55 | D | 89.8 | Confident | 89.8 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | trans | -77 | 96.9 | -179.7 | -176.5 | 8.6 | 0 | 0 | 0 | 110.1 | N49 N52 V53 S57 | N49-D55 PolarHBondContact ND2-OD2 2.89Å; N52-D55 HydrophobicContact CB-CB 4.14Å; N52-D55 VanDerWaalsContact O-CB 3.28Å; N52-D55 WeakPolarHBondContact O-CB 3.2Å; N52-D55 PolarHBondContact O-N 3.05Å; V53-D55 PolarHBondContact O-N 2.87Å; D55-S57 VanDerWaalsContact C-N 3.31Å; D55-S57 VanDerWaalsContact OD1-CB 3.22Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 2.84Å; D55-S57 PolarHBondContact OD1-OG 3.1Å | ||
| 56 | T | 90 | Very high | 89.7 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 36% | 0.362 | 27% | 0.267 | S | S | . | . | trans | -95.9 | 19.6 | 175.2 | 68 | 0 | 0 | 0 | 0 | 112.2 | F18 N54 S58 F63 | F18-T56 HydrophobicContact CD2-CG2 3.98Å; F18-T56 HydrophobicContact CE2-CG2 3.7Å; N54-T56 PolarHBondContact O-N 2.97Å; N54-T56 VanDerWaalsContact O-N 3.09Å; T56-S58 PolarHBondContact O-N 2.84Å; T56-F63 HydrophobicContact CG2-CD2 4.36Å; T56-F63 HydrophobicContact CG2-CE2 3.99Å; T56-F63 HydrophobicContact CG2-CZ 4.27Å; T56-F63 WeakPolarHBondContact O-CD1 3.01Å | ||
| 57 | S | 87.5 | Confident | 89.7 | Confident | 44 Ų | 44 | 51 Ų | 51 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | trans | -74.3 | 122.8 | 175.8 | 68.8 | 0 | 0 | 0 | 0 | 110.1 | D55 S59 F63 | D55-S57 VanDerWaalsContact C-N 3.31Å; D55-S57 VanDerWaalsContact OD1-CB 3.22Å; D55-S57 WeakPolarHBondContact OD1-CB 3.46Å; D55-S57 PolarHBondContact OD1-N 2.84Å; D55-S57 PolarHBondContact OD1-OG 3.1Å; S57-S59 WeakPolarHBondContact CB-OG 3.44Å; S57-S59 PolarHBondContact O-N 2.96Å; S57-S59 VanDerWaalsContact O-N 3.11Å; S57-S59 PolarHBondContact OG-OG 3.32Å; S57-S59 VanDerWaalsContact OG-OG 3.12Å; S57-F63 WeakPolarHBondContact O-CB 3.42Å | ||
| 58 | S | 81.2 | Confident | 89.6 | Confident | 91 Ų | 91 | 51 Ų | 51 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | trans | -67.2 | -7.6 | 174.6 | -51.1 | 0 | 0 | 0 | 0 | 113 | T56 G60 G61 | T56-S58 PolarHBondContact O-N 2.84Å; S58-G60 PolarHBondContact O-N 2.86Å; S58-G61 PolarHBondContact O-N 2.59Å | ||
| 59 | S | 75.9 | Confident | 89.7 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 61% | 0.608 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 125.8 | 178.3 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | S57 | S57-S59 WeakPolarHBondContact CB-OG 3.44Å; S57-S59 PolarHBondContact O-N 2.96Å; S57-S59 VanDerWaalsContact O-N 3.11Å; S57-S59 PolarHBondContact OG-OG 3.32Å; S57-S59 VanDerWaalsContact OG-OG 3.12Å |
| 60 | G | 80.3 | Confident | 89.9 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 77% | 0.773 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 11.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S58 K62 | S58-G60 PolarHBondContact O-N 2.86Å; G60-K62 PolarHBondContact O-N 2.99Å |
| 61 | G | 85.5 | Confident | 90 | Very high | 19 Ų | 19 | 59 Ų | 59 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 67.1 | 22.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K47 S58 Y64 | K47-G61 PolarHBondContact NZ-O 3.28Å; S58-G61 PolarHBondContact O-N 2.59Å; G61-Y64 VanDerWaalsContact O-CE2 3.29Å; G61-Y64 WeakPolarHBondContact O-CE2 3.31Å |
| 62 | K | 88.6 | Confident | 90.4 | Very high | 84 Ų | 84 | 61.3 Ų | 61.3 | 37% | 0.365 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -89.1 | -23.4 | 177.7 | -63.8 | -170.3 | 177.6 | -176.6 | 0 | 113.1 | L48 N49 E51 G60 | L48-K62 CarbonylContact C-O 3.59Å; N49-K62 HydrophobicContact CB-CB 4.04Å; N49-K62 PolarHBondContact N-O 3.21Å; E51-K62 IonicContact OE2-NZ 2.8Å; E51-K62 PolarHBondContact OE2-NZ 3.25Å; G60-K62 PolarHBondContact O-N 2.99Å |
| 63 | F | 93.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | trans | -124.2 | 128.7 | 177.4 | 179.7 | -97.1 | 0 | 0 | 0 | 111.4 | F18 Y46 K47 L48 T56 S57 E65 | F18-F63 AromaticContact CE2-CE2 3.84Å; F18-F63 HydrophobicContact CE2-CE2 3.84Å; F18-F63 HydrophobicContact CE2-CZ 4.39Å; F18-F63 HydrophobicContact CZ-CE2 4.11Å; Y46-F63 HydrophobicContact CD1-CE2 4.28Å; Y46-F63 HydrophobicContact CD1-CZ 4.22Å; K47-F63 VanDerWaalsContact O-CA 3.28Å; K47-F63 WeakPolarHBondContact O-CA 3.49Å; L48-F63 HydrophobicContact CD2-CD2 3.82Å; L48-F63 HydrophobicContact CD2-CE2 3.64Å; T56-F63 HydrophobicContact CG2-CD2 4.36Å; T56-F63 HydrophobicContact CG2-CE2 3.99Å; T56-F63 HydrophobicContact CG2-CZ 4.27Å; T56-F63 WeakPolarHBondContact O-CD1 3.01Å; S57-F63 WeakPolarHBondContact O-CB 3.42Å; F63-E65 HydrophobicContact CE1-CB 4.14Å; F63-E65 HydrophobicContact CZ-CB 4.15Å | ||
| 64 | Y | 95.4 | Very high | 90.6 | Very high | 76 Ų | 76 | 65.6 Ų | 65.6 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 146.3 | 170.1 | -69.1 | -98.6 | 0 | 0 | 0 | 110.4 | Y46 K47 G61 N123 M124 | Y46-Y64 WeakPolarHBondContact CA-O 3.26Å; K47-Y64 HydrophobicContact CB-CD2 4.33Å; K47-Y64 HydrophobicContact CD-CD2 3.79Å; K47-Y64 HydrophobicContact CD-CE2 4.3Å; K47-Y64 PolarHBondContact N-O 3.07Å; K47-Y64 PolarHBondContact O-N 2.83Å; G61-Y64 VanDerWaalsContact O-CE2 3.29Å; G61-Y64 WeakPolarHBondContact O-CE2 3.31Å; Y64-N123 WeakPolarHBondContact CD1-O 3.36Å; Y64-N123 VanDerWaalsContact CE1-O 3.24Å; Y64-N123 WeakPolarHBondContact CE1-O 3.43Å; Y64-M124 HydrophobicContact CD1-CB 4.47Å; Y64-M124 HydrophobicContact CD2-CG 4.42Å; Y64-M124 HydrophobicContact CG-CB 4.34Å; Y64-M124 HydrophobicContact CG-CG 4.15Å |
| 65 | E | 95.4 | Very high | 90.8 | Very high | 97 Ų | 97 | 64.4 Ų | 64.4 | 45% | 0.453 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 114 | 176.3 | 175.3 | 162.7 | -156.4 | 0 | 0 | 108.1 | T44 Y46 F63 | T44-E65 HydrophobicContact CG2-CG 3.69Å; Y46-E65 HydrophobicContact CD1-CB 4.03Å; Y46-E65 HydrophobicContact CD1-CG 4.06Å; Y46-E65 HydrophobicContact CE1-CB 3.97Å; Y46-E65 VanDerWaalsContact CE1-CD 3.41Å; Y46-E65 HydrophobicContact CE1-CG 3.53Å; Y46-E65 VanDerWaalsContact CE1-OE1 3.32Å; Y46-E65 WeakPolarHBondContact CE1-OE1 3.47Å; Y46-E65 PolarHBondContact OH-OE1 2.88Å; F63-E65 HydrophobicContact CE1-CB 4.14Å; F63-E65 HydrophobicContact CZ-CB 4.15Å |
| 66 | L | 96.3 | Very high | 90.9 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.8 | 178.4 | 178.6 | 64.1 | 0 | 0 | 0 | 109.2 | T44 F45 M68 L119 I126 | T44-L66 WeakPolarHBondContact CA-O 3.31Å; T44-L66 WeakPolarHBondContact CG2-O 3.32Å; F45-L66 HydrophobicContact CB-CB 4.43Å; F45-L66 PolarHBondContact N-O 3.34Å; F45-L66 PolarHBondContact O-N 3.42Å; L66-M68 HydrophobicContact CD2-CG 4.33Å; L66-M68 HydrophobicContact CD2-SD 4.42Å; L66-M68 HydrophobicContact CG-CG 4.12Å; L66-L119 HydrophobicContact CD2-CD1 3.86Å; L66-L119 HydrophobicContact CD2-CD2 4.12Å; L66-I126 HydrophobicContact CD1-CD1 4.42Å; L66-I126 HydrophobicContact CD2-CG1 4.27Å |
| 67 | E | 96.1 | Very high | 91.1 | Very high | 123 Ų | 123 | 67.6 Ų | 67.6 | 58% | 0.575 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130 | 173.4 | -172.9 | 172.1 | 123.1 | 0 | 0 | 110.4 | K69 | E67-K69 VanDerWaalsContact CD-CE 3.49Å; E67-K69 HydrophobicContact CG-CD 4.31Å; E67-K69 HydrophobicContact CG-CG 3.95Å; E67-K69 VanDerWaalsContact OE1-CD 3.22Å; E67-K69 WeakPolarHBondContact OE1-CD 3.46Å; E67-K69 VanDerWaalsContact OE1-CE 3.3Å; E67-K69 WeakPolarHBondContact OE1-CE 3.25Å; E67-K69 IonicContact OE1-NZ 2.71Å; E67-K69 PolarHBondContact OE1-NZ 3.03Å; E67-K69 IonicContact OE2-NZ 3.97Å; E67-K69 PolarHBondContact OE2-NZ 3.44Å |
| 68 | M | 94.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | trans | -130.3 | 48.5 | -178.3 | -59.1 | -172.1 | 79.7 | 0 | 0 | 110.4 | N43 F45 L66 N91 V93 T108 | N43-M68 CarbonylContact O-C 3.52Å; N43-M68 PolarHBondContact O-N 2.92Å; F45-M68 HydrophobicContact CB-CG 4.44Å; F45-M68 HydrophobicContact CB-SD 3.69Å; L66-M68 HydrophobicContact CD2-CG 4.33Å; L66-M68 HydrophobicContact CD2-SD 4.42Å; L66-M68 HydrophobicContact CG-CG 4.12Å; M68-N91 WeakPolarHBondContact O-CB 3.32Å; M68-N91 PolarHBondContact O-ND2 3.11Å; M68-V93 HydrophobicContact SD-CG2 4.11Å; M68-T108 HydrophobicContact CE-CG2 3.67Å; M68-T108 HydrophobicContact SD-CG2 4.22Å | ||
| 69 | K | 95.3 | Very high | 92 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 52% | 0.522 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -68 | 146.5 | 176.6 | -72.2 | -179.4 | -168.7 | 135.7 | 0 | 111.5 | N43 E67 | N43-K69 HydrophobicContact CB-CG 3.82Å; E67-K69 VanDerWaalsContact CD-CE 3.49Å; E67-K69 HydrophobicContact CG-CD 4.31Å; E67-K69 HydrophobicContact CG-CG 3.95Å; E67-K69 VanDerWaalsContact OE1-CD 3.22Å; E67-K69 WeakPolarHBondContact OE1-CD 3.46Å; E67-K69 VanDerWaalsContact OE1-CE 3.3Å; E67-K69 WeakPolarHBondContact OE1-CE 3.25Å; E67-K69 IonicContact OE1-NZ 2.71Å; E67-K69 PolarHBondContact OE1-NZ 3.03Å; E67-K69 IonicContact OE2-NZ 3.97Å; E67-K69 PolarHBondContact OE2-NZ 3.44Å |
| 70 | P | 94.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 63.7 Ų | 63.7 | 8% | 0.078 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 149.3 | 170.9 | -0.3 | 9.9 | 0 | 0 | 0 | 111.2 | N43 A74 L75 C89 N91 N110 A111 | N43-P70 WeakPolarHBondContact OD1-CD 3.44Å; P70-A74 HydrophobicContact CB-CB 4.42Å; P70-L75 HydrophobicContact CB-CD2 4.29Å; P70-L75 HydrophobicContact CB-CG 4.14Å; P70-L75 HydrophobicContact CG-CD2 4.02Å; P70-L75 HydrophobicContact CG-CG 4.35Å; P70-C89 WeakPolarHBondContact CG-O 3.03Å; P70-N91 HydrophobicContact CG-CB 3.83Å; P70-N110 WeakPolarHBondContact CA-OD1 3.3Å; P70-A111 HydrophobicContact CB-CB 3.97Å; P70-A111 HydrophobicContact CG-CB 4.26Å |
| 71 | G | 92.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 65 Ų | 65 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 159.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D73 A74 L75 | G71-D73 VanDerWaalsContact C-N 3.28Å; G71-D73 PolarHBondContact O-N 3.46Å; G71-A74 PolarHBondContact O-N 3.03Å; G71-L75 PolarHBondContact O-N 3.28Å |
| 72 | T | 93.6 | Very high | 93.5 | Very high | 113 Ų | 113 | 65.5 Ų | 65.5 | 69% | 0.693 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -57.2 | -39.3 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | L75 A76 | T72-L75 PolarHBondContact O-N 2.8Å; T72-A76 WeakPolarHBondContact O-CB 3.2Å; T72-A76 PolarHBondContact O-N 3.06Å |
| 73 | D | 93 | Very high | 93.6 | Very high | 121 Ų | 121 | 73.2 Ų | 73.2 | 65% | 0.647 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -69 | -39.6 | -179.6 | -62.8 | -13.1 | 0 | 0 | 0 | 111.6 | G71 A76 Q77 | G71-D73 VanDerWaalsContact C-N 3.28Å; G71-D73 PolarHBondContact O-N 3.46Å; D73-A76 PolarHBondContact O-N 3.32Å; D73-Q77 VanDerWaalsContact O-CG 3.32Å; D73-Q77 WeakPolarHBondContact O-CG 3.48Å; D73-Q77 PolarHBondContact O-N 3.43Å |
| 74 | A | 92.3 | Very high | 93.5 | Very high | 18 Ų | 18 | 75.6 Ų | 75.6 | 15% | 0.149 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | P70 G71 Q77 C78 A111 | P70-A74 HydrophobicContact CB-CB 4.42Å; G71-A74 PolarHBondContact O-N 3.03Å; A74-Q77 PolarHBondContact O-N 3.43Å; A74-C78 WeakPolarHBondContact O-CB 3.44Å; A74-C78 PolarHBondContact O-N 3.42Å; A74-A111 HydrophobicContact CB-CB 4.11Å |
| 75 | L | 94.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 76.6 Ų | 76.6 | 29% | 0.293 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 173.3 | -73.7 | 170 | 0 | 0 | 0 | 111.7 | P70 G71 T72 Q77 C78 S79 C89 | P70-L75 HydrophobicContact CB-CD2 4.29Å; P70-L75 HydrophobicContact CB-CG 4.14Å; P70-L75 HydrophobicContact CG-CD2 4.02Å; P70-L75 HydrophobicContact CG-CG 4.35Å; G71-L75 PolarHBondContact O-N 3.28Å; T72-L75 PolarHBondContact O-N 2.8Å; L75-Q77 VanDerWaalsContact C-N 3.34Å; L75-Q77 PolarHBondContact O-N 3.4Å; L75-C78 PolarHBondContact O-N 2.92Å; L75-S79 WeakPolarHBondContact O-CB 3.36Å; L75-S79 PolarHBondContact O-N 3.24Å; L75-S79 PolarHBondContact O-OG 3.38Å; L75-S79 VanDerWaalsContact O-OG 3.07Å; L75-C89 HydrophobicContact CD2-CB 4.19Å; L75-C89 VanDerWaalsContact CD2-O 3.25Å; L75-C89 WeakPolarHBondContact CD2-O 3.02Å |
| 76 | A | 93.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 80.2 Ų | 80.2 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T72 D73 | T72-A76 WeakPolarHBondContact O-CB 3.2Å; T72-A76 PolarHBondContact O-N 3.06Å; D73-A76 PolarHBondContact O-N 3.32Å |
| 77 | Q | 92.9 | Very high | 93 | Very high | 108 Ų | 108 | 79.4 Ų | 79.4 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 176.2 | -70.1 | 177.7 | 19.7 | 0 | 0 | 112.5 | D73 A74 L75 A80 | D73-Q77 VanDerWaalsContact O-CG 3.32Å; D73-Q77 WeakPolarHBondContact O-CG 3.48Å; D73-Q77 PolarHBondContact O-N 3.43Å; A74-Q77 PolarHBondContact O-N 3.43Å; L75-Q77 VanDerWaalsContact C-N 3.34Å; L75-Q77 PolarHBondContact O-N 3.4Å; Q77-A80 PolarHBondContact O-N 2.88Å |
| 78 | C | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | A74 L75 A80 R81 T82 C89 A111 | A74-C78 WeakPolarHBondContact O-CB 3.44Å; A74-C78 PolarHBondContact O-N 3.42Å; L75-C78 PolarHBondContact O-N 2.92Å; C78-A80 PolarHBondContact O-N 2.93Å; C78-A80 VanDerWaalsContact O-N 3.11Å; C78-R81 WeakPolarHBondContact O-CA 3.42Å; C78-R81 PolarHBondContact O-N 2.88Å; C78-T82 PolarHBondContact O-N 3.43Å; C78-T82 VanDerWaalsContact O-N 3.09Å; C78-C89 VanDerWaalsContact C-SG 3.51Å; C78-C89 HydrophobicContact CB-CB 3.82Å; C78-C89 WeakPolarHBondContact CB-SG 3.31Å; C78-C89 WeakPolarHBondContact SG-CA 3.42Å; C78-C89 WeakPolarHBondContact SG-CB 3.41Å; C78-C89 CovalentContact SG-SG 2.05Å; C78-C89 PolarHBondContact SG-SG 3.07Å; C78-A111 HydrophobicContact CB-CB 3.78Å |
| 79 | S | 92.8 | Very high | 93 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 33% | 0.329 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.4 | -23.5 | 177 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | L75 Q85 | L75-S79 WeakPolarHBondContact O-CB 3.36Å; L75-S79 PolarHBondContact O-N 3.24Å; L75-S79 PolarHBondContact O-OG 3.38Å; L75-S79 VanDerWaalsContact O-OG 3.07Å; S79-Q85 PolarHBondContact OG-NE2 3.41Å |
| 80 | A | 91.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 71.6 Ų | 71.6 | 76% | 0.76 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -80.1 | -21.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q77 C78 | Q77-A80 PolarHBondContact O-N 2.88Å; C78-A80 PolarHBondContact O-N 2.93Å; C78-A80 VanDerWaalsContact O-N 3.11Å |
| 81 | R | 90.9 | Very high | 93.2 | Very high | 103 Ų | 103 | 71.2 Ų | 71.2 | 39% | 0.389 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -95.1 | -30.5 | -176.1 | -65.7 | 177.4 | -174.9 | 163.7 | 6.3 | 113.5 | C78 L112 S113 Y169 | C78-R81 WeakPolarHBondContact O-CA 3.42Å; C78-R81 PolarHBondContact O-N 2.88Å; R81-L112 HydrophobicContact CB-CD1 4.34Å; R81-S113 PolarHBondContact NH1-OG 3.47Å; R81-Y169 HydrophobicContact CG-CE2 4.38Å |
| 82 | T | 90.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 69.3 Ų | 69.3 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | trans | -139.9 | 153.4 | -175.3 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | C78 D84 K88 C89 L112 | C78-T82 PolarHBondContact O-N 3.43Å; C78-T82 VanDerWaalsContact O-N 3.09Å; T82-D84 PolarHBondContact OG1-N 2.89Å; T82-K88 HydrophobicContact CG2-CB 4.22Å; T82-C89 VanDerWaalsContact CG2-SG 3.55Å; T82-L112 HydrophobicContact CG2-CD1 3.93Å | ||
| 83 | R | 90.8 | Very high | 93.6 | Very high | 246 Ų | 246 | 64 Ų | 64 | 93% | 0.928 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -85.1 | -23.2 | 171.9 | -63.1 | -176.9 | -178.2 | -178.4 | 0.4 | 112.8 | Q85 | R83-Q85 PolarHBondContact O-N 3.15Å; R83-Q85 VanDerWaalsContact O-N 3.13Å |
| 84 | D | 92.1 | Very high | 93.8 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | trans | -85 | 81.1 | 179.9 | -176.1 | -4 | 0 | 0 | 0 | 110.5 | T82 L87 K88 | T82-D84 PolarHBondContact OG1-N 2.89Å; D84-L87 WeakPolarHBondContact OD1-CB 3.5Å; D84-L87 PolarHBondContact OD1-N 3.34Å; D84-L87 VanDerWaalsContact OD1-N 3.1Å; D84-K88 HydrophobicContact CB-CD 4.23Å; D84-K88 HydrophobicContact CB-CG 4.1Å; D84-K88 WeakPolarHBondContact O-CB 3.36Å; D84-K88 PolarHBondContact O-N 3.17Å | ||
| 85 | Q | 90.5 | Very high | 94 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -27 | -178.3 | -64.5 | 177.7 | 3.2 | 0 | 0 | 112.7 | S79 R83 C89 Q90 | S79-Q85 PolarHBondContact OG-NE2 3.41Å; R83-Q85 PolarHBondContact O-N 3.15Å; R83-Q85 VanDerWaalsContact O-N 3.13Å; Q85-C89 WeakPolarHBondContact O-CB 3.31Å; Q85-Q90 PolarHBondContact O-NE2 2.99Å; Q85-Q90 VanDerWaalsContact O-NE2 3.1Å |
| 86 | E | 91.8 | Very high | 94.1 | Very high | 173 Ų | 173 | 57.7 Ų | 57.7 | 81% | 0.808 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -31.7 | -176.2 | -67.2 | -170.2 | 168.7 | 0 | 0 | 112.6 | Q90 | E86-Q90 WeakPolarHBondContact O-CG 3.16Š|
| 87 | L | 93.9 | Very high | 94.3 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -56.7 | 177.8 | -172.3 | 65.9 | 0 | 0 | 0 | 112.1 | Y24 D84 Q90 H92 P141 | Y24-L87 HydrophobicContact CD1-CD1 4.12Å; Y24-L87 HydrophobicContact CD2-CD1 3.97Å; Y24-L87 HydrophobicContact CE1-CD1 3.79Å; Y24-L87 HydrophobicContact CE2-CD1 3.61Å; Y24-L87 HydrophobicContact CG-CD1 4.21Å; D84-L87 WeakPolarHBondContact OD1-CB 3.5Å; D84-L87 PolarHBondContact OD1-N 3.34Å; D84-L87 VanDerWaalsContact OD1-N 3.1Å; L87-Q90 PolarHBondContact O-N 3.27Å; L87-H92 PolarHBondContact O-NE2 3.33Å; L87-P141 HydrophobicContact CG-CG 4.03Å |
| 88 | K | 95.2 | Very high | 94.4 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -27.4 | -168 | -58.6 | -168 | -179.9 | -157.2 | 0 | 114.3 | T82 D84 Q90 L112 D140 | T82-K88 HydrophobicContact CG2-CB 4.22Å; D84-K88 HydrophobicContact CB-CD 4.23Å; D84-K88 HydrophobicContact CB-CG 4.1Å; D84-K88 WeakPolarHBondContact O-CB 3.36Å; D84-K88 PolarHBondContact O-N 3.17Å; K88-Q90 VanDerWaalsContact C-N 3.33Å; K88-L112 HydrophobicContact CB-CD2 4.18Å; K88-D140 VanDerWaalsContact CE-OD2 3.23Å; K88-D140 WeakPolarHBondContact CE-OD2 3.1Å; K88-D140 IonicContact NZ-OD2 2.71Å; K88-D140 PolarHBondContact NZ-OD2 3.09Å |
| 89 | C | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4 | 175.5 | -62.7 | 0 | 0 | 0 | 0 | 113.9 | P70 L75 C78 T82 Q85 A111 | P70-C89 WeakPolarHBondContact CG-O 3.03Å; L75-C89 HydrophobicContact CD2-CB 4.19Å; L75-C89 VanDerWaalsContact CD2-O 3.25Å; L75-C89 WeakPolarHBondContact CD2-O 3.02Å; C78-C89 VanDerWaalsContact C-SG 3.51Å; C78-C89 HydrophobicContact CB-CB 3.82Å; C78-C89 WeakPolarHBondContact CB-SG 3.31Å; C78-C89 WeakPolarHBondContact SG-CA 3.42Å; C78-C89 WeakPolarHBondContact SG-CB 3.41Å; C78-C89 CovalentContact SG-SG 2.05Å; C78-C89 PolarHBondContact SG-SG 3.07Å; T82-C89 VanDerWaalsContact CG2-SG 3.55Å; Q85-C89 WeakPolarHBondContact O-CB 3.31Å; C89-A111 VanDerWaalsContact O-CB 3.27Å; C89-A111 WeakPolarHBondContact O-CB 3.26Å |
| 90 | Q | 96.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -80 | 166.1 | 171.7 | -53.4 | -55 | -48 | 0 | 0 | 111 | M42 N43 Q85 E86 L87 K88 T109 | M42-Q90 HydrophobicContact CG-CB 3.6Å; M42-Q90 HydrophobicContact CG-CG 4.19Å; M42-Q90 HydrophobicContact SD-CB 3.73Å; M42-Q90 HydrophobicContact SD-CG 3.7Å; N43-Q90 PolarHBondContact ND2-OE1 3.29Å; Q85-Q90 PolarHBondContact O-NE2 2.99Å; Q85-Q90 VanDerWaalsContact O-NE2 3.1Å; E86-Q90 WeakPolarHBondContact O-CG 3.16Å; L87-Q90 PolarHBondContact O-N 3.27Å; K88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-T109 PolarHBondContact O-OG1 3.06Å; Q90-T109 VanDerWaalsContact O-OG1 3.14Å |
| 91 | N | 97 | Very high | 94.3 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -98.4 | 108.2 | 177.9 | -172.1 | 22.1 | 0 | 0 | 0 | 110.2 | N43 M68 P70 T108 T109 N110 | N43-N91 WeakPolarHBondContact CA-O 3.4Å; N43-N91 PolarHBondContact N-O 3.26Å; N43-N91 PolarHBondContact OD1-N 3.19Å; M68-N91 WeakPolarHBondContact O-CB 3.32Å; M68-N91 PolarHBondContact O-ND2 3.11Å; P70-N91 HydrophobicContact CG-CB 3.83Å; N91-T108 PolarHBondContact ND2-OG1 3.07Å; N91-T108 WeakPolarHBondContact OD1-CB 3.46Å; N91-T108 PolarHBondContact OD1-OG1 3.34Å; N91-T109 PolarHBondContact OD1-N 3.43Å; N91-N110 WeakPolarHBondContact OD1-CA 3.26Å; N91-N110 PolarHBondContact OD1-N 3.37Å | ||
| 92 | H | 97.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -101.8 | 131.4 | 178.7 | -66.3 | -103 | 0 | 0 | 0 | 109.9 | M42 L87 R94 T108 T109 P141 | M42-H92 VanDerWaalsContact CG-CE1 3.43Å; M42-H92 WeakPolarHBondContact CG-CE1 3.5Å; M42-H92 VanDerWaalsContact SD-CE1 3.55Å; L87-H92 PolarHBondContact O-NE2 3.33Å; H92-R94 PolarHBondContact O-N 3.28Å; H92-T108 CarbonylContact O-C 3.58Å; H92-T108 WeakPolarHBondContact O-CA 3.21Å; H92-T108 WeakPolarHBondContact O-CB 3.15Å; H92-T109 HydrophobicContact CB-CG2 4Å; H92-T109 PolarHBondContact N-OG1 3.34Å; H92-T109 PolarHBondContact O-N 2.89Å; H92-P141 HydrophobicContact CB-CB 3.99Å |
| 93 | V | 97.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 120.4 | 168.1 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | V27 G40 A41 F45 M68 I96 V106 T108 | V27-V93 WeakPolarHBondContact CG2-O 3.42Å; G40-V93 VanDerWaalsContact CA-CB 3.46Å; A41-V93 PolarHBondContact O-N 3.04Å; F45-V93 HydrophobicContact CB-CG2 4.18Å; F45-V93 HydrophobicContact CD2-CG1 4.42Å; F45-V93 HydrophobicContact CD2-CG2 4.43Å; M68-V93 HydrophobicContact SD-CG2 4.11Å; V93-I96 HydrophobicContact CG1-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CG1 3.68Å; V93-V106 HydrophobicContact CG1-CG1 3.86Å; V93-T108 HydrophobicContact CB-CG2 4.4Å; V93-T108 HydrophobicContact CG2-CG2 3.93Å |
| 94 | R | 96.5 | Very high | 94.9 | Very high | 41 Ų | 41 | 41 Ų | 41 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -18.3 | -176.3 | -65.5 | -61.8 | -67.4 | 144.2 | -6 | 113.8 | H92 C107 T109 C137 P138 P141 D143 | H92-R94 PolarHBondContact O-N 3.28Å; R94-C107 PolarHBondContact N-O 3.02Å; R94-T109 HydrophobicContact CG-CG2 3.61Å; R94-C137 HydrophobicContact CB-CB 4.4Å; R94-P138 HydrophobicContact CB-CG 4.25Å; R94-P138 HydrophobicContact CG-CG 4.18Å; R94-P141 VanDerWaalsContact CZ-O 3.32Å; R94-P141 PolarHBondContact NE-O 3.17Å; R94-D143 PolarHBondContact NH2-O 3.38Å |
| 95 | T | 96.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 130.5 | -179 | -57.8 | 0 | 0 | 0 | 0 | 109.4 | L97 V106 C107 A147 | T95-L97 HydrophobicContact CG2-CD1 3.9Å; T95-L97 HydrophobicContact CG2-CD2 4.28Å; T95-L97 HydrophobicContact CG2-CG 3.75Å; T95-V106 WeakPolarHBondContact O-CA 3.43Å; T95-C107 PolarHBondContact N-O 3.37Å; T95-C107 PolarHBondContact O-N 2.81Å; T95-A147 HydrophobicContact CG2-CB 3.9Å |
| 96 | I | 97.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.046 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 118 | 173.2 | -48.3 | 158.7 | 0 | 0 | 0 | 105.9 | V27 L29 F45 V93 F105 V106 | V27-I96 HydrophobicContact CB-CD1 4.16Å; V27-I96 HydrophobicContact CG1-CD1 3.85Å; V27-I96 HydrophobicContact CG1-CG1 4.11Å; L29-I96 HydrophobicContact CB-CB 4Å; L29-I96 HydrophobicContact CB-CG2 3.88Å; L29-I96 HydrophobicContact CD2-CB 4.26Å; L29-I96 HydrophobicContact CD2-CG2 3.52Å; L29-I96 HydrophobicContact CG-CG2 4.35Å; F45-I96 HydrophobicContact CD2-CD1 4.29Å; F45-I96 HydrophobicContact CE2-CD1 3.5Å; F45-I96 HydrophobicContact CE2-CG1 3.92Å; F45-I96 HydrophobicContact CE2-CG2 4.24Å; F45-I96 HydrophobicContact CZ-CD1 4.3Å; F45-I96 HydrophobicContact CZ-CG1 4.4Å; F45-I96 HydrophobicContact CZ-CG2 3.95Å; V93-I96 HydrophobicContact CG1-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CG1 3.68Å; I96-F105 WeakPolarHBondContact CA-O 3.43Å; I96-V106 HydrophobicContact CG2-CG2 4.35Å |
| 97 | L | 96.5 | Very high | 95.8 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 13% | 0.131 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.1 | 179 | -55.7 | 168.5 | 0 | 0 | 0 | 109.3 | T95 L104 F105 A147 W149 V161 | T95-L97 HydrophobicContact CG2-CD1 3.9Å; T95-L97 HydrophobicContact CG2-CD2 4.28Å; T95-L97 HydrophobicContact CG2-CG 3.75Å; L97-L104 CarbonylContact O-C 3.55Å; L97-L104 WeakPolarHBondContact O-CA 3.19Å; L97-F105 HydrophobicContact CB-CB 4.25Å; L97-F105 HydrophobicContact CD1-CD1 4.23Å; L97-F105 PolarHBondContact N-O 2.93Å; L97-F105 PolarHBondContact O-N 2.8Å; L97-A147 HydrophobicContact CD1-CB 4.07Å; L97-A147 WeakPolarHBondContact CD2-O 3.31Å; L97-W149 HydrophobicContact CB-CB 4.16Å; L97-W149 HydrophobicContact CD1-CB 4.26Å; L97-V161 HydrophobicContact CD1-CG2 3.73Å |
| 98 | R | 94.8 | Very high | 96 | Very high | 87 Ų | 87 | 25 Ų | 25 | 33% | 0.328 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.9 | 170.6 | -167.8 | -178.8 | -169.5 | -113.6 | 4.8 | 109.6 | L29 D31 E33 | L29-R98 HydrophobicContact CD2-CB 4.28Å; D31-R98 IonicContact OD1-CZ 3.6Å; D31-R98 IonicContact OD1-NE 2.74Å; D31-R98 IonicContact OD1-NH2 2.96Å; D31-R98 WeakPolarHBondContact OD2-CD 3.4Å; D31-R98 IonicContact OD2-CZ 2.82Å; D31-R98 IonicContact OD2-NE 3.9Å; D31-R98 PolarHBondContact OD2-NE 2.73Å; D31-R98 IonicContact OD2-NH2 3.32Å; E33-R98 IonicContact OE2-CZ 3.53Å; E33-R98 VanDerWaalsContact OE2-CZ 3.22Å; E33-R98 IonicContact OE2-NH1 3.43Å; E33-R98 PolarHBondContact OE2-NH1 2.79Å; E33-R98 IonicContact OE2-NH2 2.71Å; E33-R98 PolarHBondContact OE2-NH2 2.79Å |
| 99 | K | 94.7 | Very high | 96 | Very high | 29 Ų | 29 | 22.5 Ų | 22.5 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | trans | -86.1 | 165.1 | 173.6 | -60.7 | -174.5 | -174.5 | 176.5 | 0 | 111 | D101 G102 N103 F105 T118 W149 | K99-D101 WeakPolarHBondContact CB-OD1 3.42Å; K99-D101 PolarHBondContact O-N 2.85Å; K99-G102 PolarHBondContact O-N 2.79Å; K99-N103 WeakPolarHBondContact CB-O 3.46Å; K99-N103 HydrophobicContact CD-CB 4.39Å; K99-N103 PolarHBondContact N-O 2.81Å; K99-F105 HydrophobicContact CG-CB 4.31Å; K99-T118 PolarHBondContact NZ-OG1 2.9Å; K99-W149 HydrophobicContact CB-CZ2 4.28Å; K99-W149 HydrophobicContact CD-CH2 3.86Å; K99-W149 HydrophobicContact CD-CZ2 3.73Å; K99-W149 HydrophobicContact CD-CZ3 4.38Å; K99-W149 HydrophobicContact CG-CD2 3.92Å; K99-W149 HydrophobicContact CG-CE3 4.25Å; K99-W149 HydrophobicContact CG-CG 4.49Å; K99-W149 HydrophobicContact CG-CH2 4.13Å; K99-W149 HydrophobicContact CG-CZ2 3.75Å; K99-W149 HydrophobicContact CG-CZ3 4.36Å | ||
| 100 | G | 91.5 | Very high | 96 | Very high | 55 Ų | 55 | 23.6 Ų | 23.6 | 57% | 0.567 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G102 E151 | G100-G102 VanDerWaalsContact C-N 3.3Å; G100-E151 WeakPolarHBondContact CA-OE2 3.49Å; G100-E151 PolarHBondContact N-OE2 2.88Å |
| 101 | D | 92.3 | Very high | 96 | Very high | 103 Ų | 103 | 21.5 Ų | 21.5 | 55% | 0.551 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 1.5 | 175.3 | 64.8 | -0.8 | 0 | 0 | 0 | 113.7 | K99 N103 | K99-D101 WeakPolarHBondContact CB-OD1 3.42Å; K99-D101 PolarHBondContact O-N 2.85Å; D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 2.81Å; D101-N103 VanDerWaalsContact OD1-CB 3.22Å; D101-N103 WeakPolarHBondContact OD1-CB 3.28Å; D101-N103 PolarHBondContact OD1-N 2.86Å; D101-N103 PolarHBondContact OD1-ND2 3.49Å; D101-N103 PolarHBondContact OD2-ND2 2.88Å |
| 102 | G | 92.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 18% | 0.175 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 83.4 | -5.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K99 G100 | K99-G102 PolarHBondContact O-N 2.79Å; G100-G102 VanDerWaalsContact C-N 3.3Å |
| 103 | N | 95.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 23.6 Ų | 23.6 | 14% | 0.144 | 14% | 0.135 | C | C | . | . | trans | -75.2 | 157.6 | 174.6 | -65.3 | -39.8 | 0 | 0 | 0 | 111.3 | K99 D101 T118 L119 L127 | K99-N103 WeakPolarHBondContact CB-O 3.46Å; K99-N103 HydrophobicContact CD-CB 4.39Å; K99-N103 PolarHBondContact N-O 2.81Å; D101-N103 VanDerWaalsContact C-N 3.28Å; D101-N103 PolarHBondContact O-N 2.81Å; D101-N103 VanDerWaalsContact OD1-CB 3.22Å; D101-N103 WeakPolarHBondContact OD1-CB 3.28Å; D101-N103 PolarHBondContact OD1-N 2.86Å; D101-N103 PolarHBondContact OD1-ND2 3.49Å; D101-N103 PolarHBondContact OD2-ND2 2.88Å; N103-T118 HydrophobicContact CB-CG2 4.03Å; N103-L119 CarbonylContact C-O 3.54Å; N103-L119 WeakPolarHBondContact CA-O 3.28Å; N103-L119 WeakPolarHBondContact CB-O 3.47Å; N103-L127 HydrophobicContact CB-CD1 4.41Å; N103-L127 WeakPolarHBondContact OD1-CD1 3.23Å | ||
| 104 | L | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.3 | 178.5 | -54.7 | 174.7 | 0 | 0 | 0 | 110.3 | L29 Y38 F45 L97 V106 T118 L119 M124 | L29-L104 HydrophobicContact CD2-CD2 3.98Å; Y38-L104 HydrophobicContact CD1-CD1 3.6Å; Y38-L104 HydrophobicContact CD2-CD1 4.3Å; Y38-L104 HydrophobicContact CD2-CD2 4.22Å; Y38-L104 HydrophobicContact CE1-CD1 3.47Å; Y38-L104 VanDerWaalsContact CE1-CD1 3.47Å; Y38-L104 HydrophobicContact CE2-CD1 4.19Å; Y38-L104 HydrophobicContact CE2-CD2 3.95Å; Y38-L104 HydrophobicContact CG-CD1 4.03Å; F45-L104 HydrophobicContact CE1-CD1 4.04Å; F45-L104 HydrophobicContact CZ-CD1 4.04Å; L97-L104 CarbonylContact O-C 3.55Å; L97-L104 WeakPolarHBondContact O-CA 3.19Å; L104-V106 HydrophobicContact CB-CG2 4.1Å; L104-T118 CarbonylContact O-C 3.57Å; L104-T118 VanDerWaalsContact O-CA 3.23Å; L104-T118 WeakPolarHBondContact O-CA 3.26Å; L104-L119 HydrophobicContact CB-CB 4.31Å; L104-L119 PolarHBondContact N-O 3.4Å; L104-L119 PolarHBondContact O-N 2.8Å; L104-M124 HydrophobicContact CD1-SD 4Å |
| 105 | F | 97.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.8 | 165.3 | -175 | -82.8 | 0 | 0 | 0 | 108.3 | I96 L97 K99 C107 V116 I136 W149 V161 | I96-F105 WeakPolarHBondContact CA-O 3.43Å; L97-F105 HydrophobicContact CB-CB 4.25Å; L97-F105 HydrophobicContact CD1-CD1 4.23Å; L97-F105 PolarHBondContact N-O 2.93Å; L97-F105 PolarHBondContact O-N 2.8Å; K99-F105 HydrophobicContact CG-CB 4.31Å; F105-C107 HydrophobicContact CE1-CB 4.5Å; F105-V116 HydrophobicContact CD1-CG1 4.35Å; F105-V116 HydrophobicContact CD2-CG1 3.91Å; F105-V116 HydrophobicContact CE1-CG1 3.81Å; F105-V116 HydrophobicContact CE1-CG2 4.11Å; F105-V116 HydrophobicContact CE2-CG1 3.33Å; F105-V116 HydrophobicContact CG-CG1 4.39Å; F105-V116 HydrophobicContact CZ-CB 4.19Å; F105-V116 HydrophobicContact CZ-CG1 3.27Å; F105-V116 HydrophobicContact CZ-CG2 3.79Å; F105-I136 HydrophobicContact CE1-CG2 3.99Å; F105-I136 HydrophobicContact CZ-CG2 4.15Å; F105-W149 HydrophobicContact CB-CE3 4.36Å; F105-W149 HydrophobicContact CB-CZ3 4.47Å; F105-W149 HydrophobicContact CD2-CE3 4.13Å; F105-W149 HydrophobicContact CD2-CH2 4.46Å; F105-W149 AromaticContact CD2-CZ3 3.56Å; F105-W149 HydrophobicContact CD2-CZ3 3.56Å; F105-W149 AromaticContact CE2-CZ3 3.97Å; F105-W149 HydrophobicContact CE2-CZ3 3.97Å; F105-W149 HydrophobicContact CG-CE3 4.27Å; F105-W149 HydrophobicContact CG-CZ3 4.16Å; F105-V161 HydrophobicContact CE1-CB 4.35Å; F105-V161 HydrophobicContact CE1-CG1 4.26Å; F105-V161 HydrophobicContact CE1-CG2 4.26Å; F105-V161 HydrophobicContact CE2-CG1 4.31Å; F105-V161 HydrophobicContact CZ-CB 4.19Å; F105-V161 HydrophobicContact CZ-CG1 3.75Å |
| 106 | V | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.9 | -175.9 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | F45 V93 T95 I96 L104 T108 V116 S117 L119 | F45-V106 HydrophobicContact CE1-CG2 4.03Å; F45-V106 HydrophobicContact CZ-CG2 4.24Å; V93-V106 HydrophobicContact CG1-CG1 3.86Å; T95-V106 WeakPolarHBondContact O-CA 3.43Å; I96-V106 HydrophobicContact CG2-CG2 4.35Å; L104-V106 HydrophobicContact CB-CG2 4.1Å; V106-T108 HydrophobicContact CG1-CG2 3.97Å; V106-V116 CarbonylContact O-C 3.48Å; V106-V116 WeakPolarHBondContact O-CA 3.42Å; V106-S117 PolarHBondContact N-O 3.5Å; V106-S117 PolarHBondContact O-N 3.01Å; V106-L119 HydrophobicContact CG2-CD1 3.81Å; V106-L119 HydrophobicContact CG2-CG 4.22Å |
| 107 | C | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134 | 174.7 | -162.5 | 0 | 0 | 0 | 0 | 110.2 | R94 T95 F105 I115 V116 C137 | R94-C107 PolarHBondContact N-O 3.02Å; T95-C107 PolarHBondContact N-O 3.37Å; T95-C107 PolarHBondContact O-N 2.81Å; F105-C107 HydrophobicContact CE1-CB 4.5Å; C107-I115 WeakPolarHBondContact CA-O 3.39Å; C107-V116 HydrophobicContact CB-CG2 4.03Å; C107-V116 VanDerWaalsContact SG-CG2 3.54Å; C107-C137 HydrophobicContact CB-CB 3.55Å; C107-C137 WeakPolarHBondContact CB-SG 3.27Å; C107-C137 WeakPolarHBondContact SG-CB 3.3Å; C107-C137 CovalentContact SG-SG 2.03Å; C107-C137 PolarHBondContact SG-SG 3.12Å |
| 108 | T | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.2 | -173.3 | 78.5 | 0 | 0 | 0 | 0 | 111.4 | M68 N91 H92 V93 V106 P114 I115 | M68-T108 HydrophobicContact CE-CG2 3.67Å; M68-T108 HydrophobicContact SD-CG2 4.22Å; N91-T108 PolarHBondContact ND2-OG1 3.07Å; N91-T108 WeakPolarHBondContact OD1-CB 3.46Å; N91-T108 PolarHBondContact OD1-OG1 3.34Å; H92-T108 CarbonylContact O-C 3.58Å; H92-T108 WeakPolarHBondContact O-CA 3.21Å; H92-T108 WeakPolarHBondContact O-CB 3.15Å; V93-T108 HydrophobicContact CB-CG2 4.4Å; V93-T108 HydrophobicContact CG2-CG2 3.93Å; V106-T108 HydrophobicContact CG1-CG2 3.97Å; T108-P114 CarbonylContact O-C 3.52Å; T108-P114 WeakPolarHBondContact O-CA 3.15Å; T108-P114 WeakPolarHBondContact O-CB 3.46Å; T108-I115 PolarHBondContact N-O 3.45Å; T108-I115 PolarHBondContact O-N 3.14Å; T108-I115 WeakPolarHBondContact OG1-CG1 3.19Å |
| 109 | T | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -70.2 | -32.2 | -174.9 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | Q90 N91 H92 R94 A111 L112 S113 S139 P141 | Q90-T109 PolarHBondContact O-OG1 3.06Å; Q90-T109 VanDerWaalsContact O-OG1 3.14Å; N91-T109 PolarHBondContact OD1-N 3.43Å; H92-T109 HydrophobicContact CB-CG2 4Å; H92-T109 PolarHBondContact N-OG1 3.34Å; H92-T109 PolarHBondContact O-N 2.89Å; R94-T109 HydrophobicContact CG-CG2 3.61Å; T109-A111 PolarHBondContact O-N 3.45Å; T109-L112 CarbonylContact O-C 3.56Å; T109-L112 PolarHBondContact O-N 3.17Å; T109-S113 CarbonylContact O-C 3.45Å; T109-S113 VanDerWaalsContact O-C 3.27Å; T109-S113 PolarHBondContact O-N 3.27Å; T109-S139 WeakPolarHBondContact CB-O 3.26Å; T109-P141 HydrophobicContact CG2-CB 4.39Å | ||
| 110 | N | 96 | Very high | 95.8 | Very high | 24 Ų | 24 | 18.5 Ų | 18.5 | 13% | 0.128 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 39.4 | 64.9 | 177.3 | -174.9 | 55.8 | 0 | 0 | 0 | 114 | P70 N91 S113 I115 | P70-N110 WeakPolarHBondContact CA-OD1 3.3Å; N91-N110 WeakPolarHBondContact OD1-CA 3.26Å; N91-N110 PolarHBondContact OD1-N 3.37Å; N110-S113 WeakPolarHBondContact CB-O 3.44Å; N110-S113 PolarHBondContact ND2-O 3.48Å; N110-S113 PolarHBondContact O-N 3.3Å; N110-I115 HydrophobicContact CB-CD1 4.02Å; N110-I115 HydrophobicContact CB-CG1 3.82Å; N110-I115 HydrophobicContact CB-CG2 4.25Å |
| 111 | A | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 56.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P70 A74 C78 C89 T109 S113 | P70-A111 HydrophobicContact CB-CB 3.97Å; P70-A111 HydrophobicContact CG-CB 4.26Å; A74-A111 HydrophobicContact CB-CB 4.11Å; C78-A111 HydrophobicContact CB-CB 3.78Å; C89-A111 VanDerWaalsContact O-CB 3.27Å; C89-A111 WeakPolarHBondContact O-CB 3.26Å; T109-A111 PolarHBondContact O-N 3.45Å; A111-S113 PolarHBondContact O-N 3.22Å; A111-S113 VanDerWaalsContact O-N 3.13Å |
| 112 | L | 95.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 15.4 Ų | 15.4 | 6% | 0.063 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 11.1 | -176.8 | -56.5 | 177.2 | 0 | 0 | 0 | 115.4 | R81 T82 K88 T109 S139 | R81-L112 HydrophobicContact CB-CD1 4.34Å; T82-L112 HydrophobicContact CG2-CD1 3.93Å; K88-L112 HydrophobicContact CB-CD2 4.18Å; T109-L112 CarbonylContact O-C 3.56Å; T109-L112 PolarHBondContact O-N 3.17Å; L112-S139 WeakPolarHBondContact CD2-O 3.48Å; L112-S139 PolarHBondContact O-OG 3.03Å |
| 113 | S | 95 | Very high | 95.8 | Very high | 40 Ų | 40 | 16.6 Ų | 16.6 | 28% | 0.28 | 10% | 0.096 | S | C | . | . | S | Bend | trans | -127.8 | 78.9 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | R81 T109 N110 A111 | R81-S113 PolarHBondContact NH1-OG 3.47Å; T109-S113 CarbonylContact O-C 3.45Å; T109-S113 VanDerWaalsContact O-C 3.27Å; T109-S113 PolarHBondContact O-N 3.27Å; N110-S113 WeakPolarHBondContact CB-O 3.44Å; N110-S113 PolarHBondContact ND2-O 3.48Å; N110-S113 PolarHBondContact O-N 3.3Å; A111-S113 PolarHBondContact O-N 3.22Å; A111-S113 VanDerWaalsContact O-N 3.13Å |
| 114 | P | 96.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 15.7 Ų | 15.7 | 6% | 0.058 | 9% | 0.091 | C | C | . | . | trans | -56 | 142.2 | -168.6 | -30.8 | 36.6 | 0 | 0 | 0 | 114.8 | T108 G133 S139 | T108-P114 CarbonylContact O-C 3.52Å; T108-P114 WeakPolarHBondContact O-CA 3.15Å; T108-P114 WeakPolarHBondContact O-CB 3.46Å; P114-G133 WeakPolarHBondContact O-CA 3.23Å; P114-G133 PolarHBondContact O-N 2.86Å; P114-S139 WeakPolarHBondContact CD-OG 3.2Å; P114-S139 WeakPolarHBondContact CG-OG 3.34Å | ||
| 115 | I | 96.5 | Very high | 95.5 | Very high | 38 Ų | 38 | 21.4 Ų | 21.4 | 20% | 0.195 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152 | 176.9 | 63.6 | 175.6 | 0 | 0 | 0 | 110.7 | C107 T108 N110 M131 | C107-I115 WeakPolarHBondContact CA-O 3.39Å; T108-I115 PolarHBondContact N-O 3.45Å; T108-I115 PolarHBondContact O-N 3.14Å; T108-I115 WeakPolarHBondContact OG1-CG1 3.19Å; N110-I115 HydrophobicContact CB-CD1 4.02Å; N110-I115 HydrophobicContact CB-CG1 3.82Å; N110-I115 HydrophobicContact CB-CG2 4.25Å; I115-M131 CarbonylContact C-O 3.56Å; I115-M131 WeakPolarHBondContact CA-O 3.28Å |
| 116 | V | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | F105 V106 C107 M131 I136 | F105-V116 HydrophobicContact CD1-CG1 4.35Å; F105-V116 HydrophobicContact CD2-CG1 3.91Å; F105-V116 HydrophobicContact CE1-CG1 3.81Å; F105-V116 HydrophobicContact CE1-CG2 4.11Å; F105-V116 HydrophobicContact CE2-CG1 3.33Å; F105-V116 HydrophobicContact CG-CG1 4.39Å; F105-V116 HydrophobicContact CZ-CB 4.19Å; F105-V116 HydrophobicContact CZ-CG1 3.27Å; F105-V116 HydrophobicContact CZ-CG2 3.79Å; V106-V116 CarbonylContact O-C 3.48Å; V106-V116 WeakPolarHBondContact O-CA 3.42Å; C107-V116 HydrophobicContact CB-CG2 4.03Å; C107-V116 VanDerWaalsContact SG-CG2 3.54Å; V116-M131 HydrophobicContact CB-CB 4.11Å; V116-M131 HydrophobicContact CB-CE 4.36Å; V116-M131 HydrophobicContact CG1-CE 3.71Å; V116-M131 PolarHBondContact N-O 3.28Å; V116-I136 HydrophobicContact CG2-CD1 4.3Å; V116-I136 HydrophobicContact CG2-CG2 4.34Å |
| 117 | S | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 148.2 | 171.3 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | V106 K128 T129 | V106-S117 PolarHBondContact N-O 3.5Å; V106-S117 PolarHBondContact O-N 3.01Å; S117-K128 CarbonylContact C-O 3.56Å; S117-K128 VanDerWaalsContact CA-O 3.25Å; S117-K128 WeakPolarHBondContact CA-O 3.45Å; S117-T129 PolarHBondContact OG-OG1 3.46Å |
| 118 | T | 96.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 33.7 Ų | 33.7 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.1 | 165.6 | -61.7 | 0 | 0 | 0 | 0 | 108.1 | K99 N103 L104 L127 K128 | K99-T118 PolarHBondContact NZ-OG1 2.9Å; N103-T118 HydrophobicContact CB-CG2 4.03Å; L104-T118 CarbonylContact O-C 3.57Å; L104-T118 VanDerWaalsContact O-CA 3.23Å; L104-T118 WeakPolarHBondContact O-CA 3.26Å; T118-L127 HydrophobicContact CG2-CB 4.4Å; T118-L127 HydrophobicContact CG2-CD1 4.31Å; T118-L127 WeakPolarHBondContact O-CB 3.47Å; T118-L127 PolarHBondContact O-N 3.13Å; T118-K128 PolarHBondContact N-O 3.45Å; T118-K128 PolarHBondContact O-N 3.07Å; T118-K128 VanDerWaalsContact O-N 3.15Å |
| 119 | L | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150 | -179.5 | -50.2 | 178.3 | 0 | 0 | 0 | 110 | F45 L66 N103 L104 V106 E125 I126 | F45-L119 HydrophobicContact CD1-CD1 3.48Å; F45-L119 VanDerWaalsContact CD1-CD1 3.48Å; F45-L119 HydrophobicContact CE1-CD1 3.47Å; F45-L119 VanDerWaalsContact CE1-CD1 3.47Å; L66-L119 HydrophobicContact CD2-CD1 3.86Å; L66-L119 HydrophobicContact CD2-CD2 4.12Å; N103-L119 CarbonylContact C-O 3.54Å; N103-L119 WeakPolarHBondContact CA-O 3.28Å; N103-L119 WeakPolarHBondContact CB-O 3.47Å; L104-L119 HydrophobicContact CB-CB 4.31Å; L104-L119 PolarHBondContact N-O 3.4Å; L104-L119 PolarHBondContact O-N 2.8Å; V106-L119 HydrophobicContact CG2-CD1 3.81Å; V106-L119 HydrophobicContact CG2-CG 4.22Å; L119-E125 CarbonylContact C-O 3.48Å; L119-E125 VanDerWaalsContact CA-O 3.24Å; L119-E125 WeakPolarHBondContact CA-O 3.41Å; L119-I126 HydrophobicContact CD2-CB 3.96Å; L119-I126 HydrophobicContact CD2-CG1 3.57Å; L119-I126 HydrophobicContact CD2-CG2 4.18Å |
| 120 | D | 95.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | trans | -68 | 129.1 | 166.9 | -178.2 | -64.5 | 0 | 0 | 0 | 109.5 | T122 N123 M124 E125 L127 | D120-T122 VanDerWaalsContact C-N 3.25Å; D120-T122 PolarHBondContact O-N 2.86Å; D120-T122 WeakPolarHBondContact OD1-CA 3.48Å; D120-T122 WeakPolarHBondContact OD1-CB 3.49Å; D120-T122 PolarHBondContact OD1-N 3.17Å; D120-T122 PolarHBondContact OD1-OG1 3.43Å; D120-N123 WeakPolarHBondContact CB-OD1 3.41Å; D120-N123 VanDerWaalsContact CG-OD1 3.31Å; D120-N123 PolarHBondContact OD1-N 2.85Å; D120-N123 VanDerWaalsContact OD1-N 3.09Å; D120-N123 PolarHBondContact OD1-OD1 2.85Å; D120-M124 WeakPolarHBondContact O-CA 3.35Å; D120-M124 PolarHBondContact O-N 2.83Å; D120-E125 PolarHBondContact N-O 3.47Å; D120-L127 HydrophobicContact CB-CD1 4.2Å; D120-L127 HydrophobicContact CB-CD2 4.29Å; D120-L127 HydrophobicContact CB-CG 4.27Å | ||
| 121 | G | 92.4 | Very high | 94 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y38 | Y38-G121 PolarHBondContact OH-O 3.22Š|
| 122 | T | 90.9 | Very high | 93.9 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -53.3 | -175.5 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | K47 D120 | K47-T122 PolarHBondContact NZ-O 2.94Å; D120-T122 VanDerWaalsContact C-N 3.25Å; D120-T122 PolarHBondContact O-N 2.86Å; D120-T122 WeakPolarHBondContact OD1-CA 3.48Å; D120-T122 WeakPolarHBondContact OD1-CB 3.49Å; D120-T122 PolarHBondContact OD1-N 3.17Å; D120-T122 PolarHBondContact OD1-OG1 3.43Å |
| 123 | N | 91.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -1.5 | -173.1 | 71.5 | 7.6 | 0 | 0 | 0 | 113.9 | Y64 D120 E125 | Y64-N123 WeakPolarHBondContact CD1-O 3.36Å; Y64-N123 VanDerWaalsContact CE1-O 3.24Å; Y64-N123 WeakPolarHBondContact CE1-O 3.43Å; D120-N123 WeakPolarHBondContact CB-OD1 3.41Å; D120-N123 VanDerWaalsContact CG-OD1 3.31Å; D120-N123 PolarHBondContact OD1-N 2.85Å; D120-N123 VanDerWaalsContact OD1-N 3.09Å; D120-N123 PolarHBondContact OD1-OD1 2.85Å; N123-E125 PolarHBondContact ND2-OE1 2.79Å; N123-E125 PolarHBondContact ND2-OE2 3.03Å; N123-E125 VanDerWaalsContact ND2-OE2 3.11Å; N123-E125 PolarHBondContact O-N 2.84Å; N123-E125 WeakPolarHBondContact OD1-CB 3.49Å; N123-E125 WeakPolarHBondContact OD1-CG 3.24Å; N123-E125 PolarHBondContact OD1-N 2.01Å |
| 124 | M | 92.5 | Very high | 93.9 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | trans | 62.8 | 17.9 | 178.3 | -61.4 | -91.4 | -69.4 | 0 | 0 | 114.6 | Y38 F45 K47 Y64 L104 D120 | Y38-M124 HydrophobicContact CD1-SD 3.68Å; Y38-M124 HydrophobicContact CE1-SD 3.66Å; F45-M124 HydrophobicContact CD1-CE 3.13Å; F45-M124 HydrophobicContact CD1-SD 4.07Å; F45-M124 HydrophobicContact CE1-CE 3.18Å; F45-M124 HydrophobicContact CE1-SD 3.5Å; F45-M124 VanDerWaalsContact CE1-SD 3.5Å; F45-M124 HydrophobicContact CG-CE 3.91Å; F45-M124 HydrophobicContact CZ-CE 3.99Å; F45-M124 HydrophobicContact CZ-SD 4.2Å; K47-M124 HydrophobicContact CB-CE 4.2Å; K47-M124 HydrophobicContact CB-CG 4.08Å; K47-M124 HydrophobicContact CB-SD 4.07Å; K47-M124 HydrophobicContact CD-CG 4.21Å; Y64-M124 HydrophobicContact CD1-CB 4.47Å; Y64-M124 HydrophobicContact CD2-CG 4.42Å; Y64-M124 HydrophobicContact CG-CB 4.34Å; Y64-M124 HydrophobicContact CG-CG 4.15Å; L104-M124 HydrophobicContact CD1-SD 4Å; D120-M124 WeakPolarHBondContact O-CA 3.35Å; D120-M124 PolarHBondContact O-N 2.83Å | ||
| 125 | E | 94.6 | Very high | 93.8 | Very high | 120 Ų | 120 | 46 Ų | 46 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | trans | -68.3 | 142 | 175.6 | -73.5 | 177.4 | 175.2 | 0 | 0 | 111.6 | L119 D120 N123 L127 | L119-E125 CarbonylContact C-O 3.48Å; L119-E125 VanDerWaalsContact CA-O 3.24Å; L119-E125 WeakPolarHBondContact CA-O 3.41Å; D120-E125 PolarHBondContact N-O 3.47Å; N123-E125 PolarHBondContact ND2-OE1 2.79Å; N123-E125 PolarHBondContact ND2-OE2 3.03Å; N123-E125 VanDerWaalsContact ND2-OE2 3.11Å; N123-E125 PolarHBondContact O-N 2.84Å; N123-E125 WeakPolarHBondContact OD1-CB 3.49Å; N123-E125 WeakPolarHBondContact OD1-CG 3.24Å; N123-E125 PolarHBondContact OD1-N 2.01Å; E125-L127 PolarHBondContact O-N 3.19Å | ||
| 126 | I | 96.2 | Very high | 93.8 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 45% | 0.451 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 104.4 | 178.5 | -53 | 179.7 | 0 | 0 | 0 | 109.5 | L66 L119 T129 | L66-I126 HydrophobicContact CD1-CD1 4.42Å; L66-I126 HydrophobicContact CD2-CG1 4.27Å; L119-I126 HydrophobicContact CD2-CB 3.96Å; L119-I126 HydrophobicContact CD2-CG1 3.57Å; L119-I126 HydrophobicContact CD2-CG2 4.18Å; I126-T129 HydrophobicContact CG2-CG2 4.18Å |
| 127 | L | 95.4 | Very high | 93.7 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -37.5 | 176.6 | -57.8 | 179 | 0 | 0 | 0 | 112 | N103 T118 D120 E125 | N103-L127 HydrophobicContact CB-CD1 4.41Å; N103-L127 WeakPolarHBondContact OD1-CD1 3.23Å; T118-L127 HydrophobicContact CG2-CB 4.4Å; T118-L127 HydrophobicContact CG2-CD1 4.31Å; T118-L127 WeakPolarHBondContact O-CB 3.47Å; T118-L127 PolarHBondContact O-N 3.13Å; D120-L127 HydrophobicContact CB-CD1 4.2Å; D120-L127 HydrophobicContact CB-CD2 4.29Å; D120-L127 HydrophobicContact CB-CG 4.27Å; E125-L127 PolarHBondContact O-N 3.19Å |
| 128 | K | 92.9 | Very high | 93.7 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 141.6 | 178.2 | -170.3 | 176.1 | -176.5 | -178.9 | 0 | 110 | S117 T118 M131 | S117-K128 CarbonylContact C-O 3.56Å; S117-K128 VanDerWaalsContact CA-O 3.25Å; S117-K128 WeakPolarHBondContact CA-O 3.45Å; T118-K128 PolarHBondContact N-O 3.45Å; T118-K128 PolarHBondContact O-N 3.07Å; T118-K128 VanDerWaalsContact O-N 3.15Å; K128-M131 HydrophobicContact CD-CE 4.17Å; K128-M131 HydrophobicContact CD-SD 4.04Å |
| 129 | T | 90.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 170.2 | 174.8 | -164.5 | 0 | 0 | 0 | 0 | 111.3 | S117 I126 | S117-T129 PolarHBondContact OG-OG1 3.46Å; I126-T129 HydrophobicContact CG2-CG2 4.18Å |
| 130 | G | 85.4 | Confident | 93.5 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 87.3 | 6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 131 | M | 90.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 137.4 | 168.9 | -67.4 | -176.7 | -60.7 | 0 | 0 | 109.1 | I115 V116 K128 G133 | I115-M131 CarbonylContact C-O 3.56Å; I115-M131 WeakPolarHBondContact CA-O 3.28Å; V116-M131 HydrophobicContact CB-CB 4.11Å; V116-M131 HydrophobicContact CB-CE 4.36Å; V116-M131 HydrophobicContact CG1-CE 3.71Å; V116-M131 PolarHBondContact N-O 3.28Å; K128-M131 HydrophobicContact CD-CE 4.17Å; K128-M131 HydrophobicContact CD-SD 4.04Å; M131-G133 PolarHBondContact O-N 3.28Å |
| 132 | S | 93.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 59% | 0.587 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 130.6 | 176 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | A134 | S132-A134 VanDerWaalsContact C-N 3.35Å; S132-A134 WeakPolarHBondContact OG-CB 3.4Å; S132-A134 PolarHBondContact OG-N 2.98Å |
| 133 | G | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -91.7 | 7.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P114 M131 A135 I136 C137 | P114-G133 WeakPolarHBondContact O-CA 3.23Å; P114-G133 PolarHBondContact O-N 2.86Å; M131-G133 PolarHBondContact O-N 3.28Å; G133-A135 PolarHBondContact O-N 2.99Å; G133-I136 WeakPolarHBondContact O-CB 3.34Å; G133-I136 PolarHBondContact O-N 2.82Å; G133-C137 PolarHBondContact O-N 3.35Å; G133-C137 VanDerWaalsContact O-N 3.15Å | ||
| 134 | A | 94.7 | Very high | 93.9 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 37% | 0.372 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 133.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S132 I136 | S132-A134 VanDerWaalsContact C-N 3.35Å; S132-A134 WeakPolarHBondContact OG-CB 3.4Å; S132-A134 PolarHBondContact OG-N 2.98Å; A134-I136 PolarHBondContact O-N 2.69Å; A134-I136 VanDerWaalsContact O-N 3.07Å |
| 135 | A | 95.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 46 Ų | 46 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 5.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G133 S163 T165 V175 Y177 | G133-A135 PolarHBondContact O-N 2.99Å; A135-S163 PolarHBondContact O-OG 3.12Å; A135-T165 VanDerWaalsContact C-CG2 3.45Å; A135-T165 WeakPolarHBondContact O-CG2 3.1Å; A135-V175 HydrophobicContact CB-CG2 4.18Å; A135-Y177 HydrophobicContact CB-CD1 3.92Å; A135-Y177 HydrophobicContact CB-CD2 4.39Å; A135-Y177 HydrophobicContact CB-CE1 4.34Å; A135-Y177 HydrophobicContact CB-CG 3.94Å |
| 136 | I | 96.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -46.9 | 177 | -63.3 | 175.7 | 0 | 0 | 0 | 111.2 | F105 V116 G133 A134 V161 S163 Y177 P179 | F105-I136 HydrophobicContact CE1-CG2 3.99Å; F105-I136 HydrophobicContact CZ-CG2 4.15Å; V116-I136 HydrophobicContact CG2-CD1 4.3Å; V116-I136 HydrophobicContact CG2-CG2 4.34Å; G133-I136 WeakPolarHBondContact O-CB 3.34Å; G133-I136 PolarHBondContact O-N 2.82Å; A134-I136 PolarHBondContact O-N 2.69Å; A134-I136 VanDerWaalsContact O-N 3.07Å; I136-V161 HydrophobicContact CD1-CG1 4.29Å; I136-V161 HydrophobicContact CG2-CG1 4.14Å; I136-V161 HydrophobicContact CG2-CG2 4.45Å; I136-S163 VanDerWaalsContact O-CB 3.26Å; I136-S163 WeakPolarHBondContact O-CB 3.41Å; I136-Y177 HydrophobicContact CD1-CE1 4.45Å; I136-Y177 HydrophobicContact CG1-CD1 4.05Å; I136-Y177 HydrophobicContact CG1-CE1 3.92Å; I136-P179 HydrophobicContact CD1-CB 4.44Å; I136-P179 HydrophobicContact CD1-CG 4.33Å |
| 137 | C | 94.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -133.5 | 155.7 | 172.7 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | R94 C107 G133 | R94-C137 HydrophobicContact CB-CB 4.4Å; C107-C137 HydrophobicContact CB-CB 3.55Å; C107-C137 WeakPolarHBondContact CB-SG 3.27Å; C107-C137 WeakPolarHBondContact SG-CB 3.3Å; C107-C137 CovalentContact SG-SG 2.03Å; C107-C137 PolarHBondContact SG-SG 3.12Å; G133-C137 PolarHBondContact O-N 3.35Å; G133-C137 VanDerWaalsContact O-N 3.15Å |
| 138 | P | 95.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | trans | -64.7 | 144.8 | -176.4 | 25.8 | -34 | 0 | 0 | 0 | 112 | R94 D143 T165 V166 | R94-P138 HydrophobicContact CB-CG 4.25Å; R94-P138 HydrophobicContact CG-CG 4.18Å; P138-D143 HydrophobicContact CB-CB 3.69Å; P138-T165 WeakPolarHBondContact CA-OG1 3.13Å; P138-T165 WeakPolarHBondContact CD-OG1 3.33Å; P138-V166 HydrophobicContact CB-CG2 4.1Å | ||
| 139 | S | 95.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -73.4 | -36.8 | 172 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | T109 L112 P114 | T109-S139 WeakPolarHBondContact CB-O 3.26Å; L112-S139 WeakPolarHBondContact CD2-O 3.48Å; L112-S139 PolarHBondContact O-OG 3.03Å; P114-S139 WeakPolarHBondContact CD-OG 3.2Å; P114-S139 WeakPolarHBondContact CG-OG 3.34Å |
| 140 | D | 94.7 | Very high | 95.1 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 13% | 0.134 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -89.9 | 130.6 | 177.2 | -168.1 | -42.2 | 0 | 0 | 0 | 109.9 | K88 D142 D143 | K88-D140 VanDerWaalsContact CE-OD2 3.23Å; K88-D140 WeakPolarHBondContact CE-OD2 3.1Å; K88-D140 IonicContact NZ-OD2 2.71Å; K88-D140 PolarHBondContact NZ-OD2 3.09Å; D140-D142 PolarHBondContact O-N 3.37Å; D140-D142 PolarHBondContact OD1-N 3.28Å; D140-D143 HydrophobicContact CB-CB 4.1Å; D140-D143 PolarHBondContact O-N 3.04Å |
| 141 | P | 94.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.6 | 177.8 | 26.2 | -36.2 | 0 | 0 | 0 | 114.9 | R26 L87 H92 R94 T109 | R26-P141 PolarHBondContact NH1-O 3.48Å; L87-P141 HydrophobicContact CG-CG 4.03Å; H92-P141 HydrophobicContact CB-CB 3.99Å; R94-P141 VanDerWaalsContact CZ-O 3.32Å; R94-P141 PolarHBondContact NE-O 3.17Å; T109-P141 HydrophobicContact CG2-CB 4.39Å |
| 142 | D | 93.9 | Very high | 95.8 | Very high | 82 Ų | 82 | 31.3 Ų | 31.3 | 44% | 0.439 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -9 | 177.9 | -65.3 | -34 | 0 | 0 | 0 | 112.9 | R26 D140 | R26-D142 IonicContact CZ-OD1 3.61Å; R26-D142 IonicContact NH1-OD1 3.91Å; R26-D142 PolarHBondContact NH1-OD1 3.16Å; R26-D142 IonicContact NH2-OD1 3.77Å; R26-D142 PolarHBondContact NH2-OD1 2.99Å; D140-D142 PolarHBondContact O-N 3.37Å; D140-D142 PolarHBondContact OD1-N 3.28Å |
| 143 | D | 95 | Very high | 95.9 | Very high | 33 Ų | 33 | 28.9 Ų | 28.9 | 18% | 0.176 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -74.8 | 139 | 175.4 | -99.7 | -32.6 | 0 | 0 | 0 | 111.6 | R94 P138 D140 R174 | R94-D143 PolarHBondContact NH2-O 3.38Å; P138-D143 HydrophobicContact CB-CB 3.69Å; D140-D143 HydrophobicContact CB-CB 4.1Å; D140-D143 PolarHBondContact O-N 3.04Å; D143-R174 IonicContact OD1-CZ 2.89Å; D143-R174 IonicContact OD1-NH2 3.22Å; D143-R174 PolarHBondContact OD1-NH2 3.21Å; D143-R174 IonicContact OD2-NH2 2.7Å |
| 144 | N | 95.1 | Very high | 96 | Very high | 52 Ų | 52 | 29 Ų | 29 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | trans | -80.7 | 135 | 174.7 | -77.1 | 1.2 | 0 | 0 | 0 | 110.9 | N207 | N144-N207 WeakPolarHBondContact CB-OD1 3.44Å; N144-N207 VanDerWaalsContact CG-OD1 3.23Å; N144-N207 VanDerWaalsContact ND2-CG 3.35Å; N144-N207 PolarHBondContact ND2-ND2 3.4Å; N144-N207 PolarHBondContact ND2-OD1 3.39Å | ||
| 145 | G | 96.5 | Very high | 96.1 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | trans | -157.3 | 153.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A164 | G145-A164 VanDerWaalsContact CA-O 3.29Å; G145-A164 WeakPolarHBondContact CA-O 3.03Å | ||
| 146 | T | 98 | Very high | 96 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 150.9 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | S163 A164 F208 A210 S211 F221 | T146-S163 CarbonylContact O-C 3.48Å; T146-S163 WeakPolarHBondContact O-CA 3.35Å; T146-A164 HydrophobicContact CG2-CB 3.97Å; T146-A164 PolarHBondContact N-O 3.32Å; T146-A164 PolarHBondContact O-N 2.99Å; T146-F208 HydrophobicContact CG2-CB 4.06Å; T146-A210 WeakPolarHBondContact OG1-CA 3.41Å; T146-S211 PolarHBondContact OG1-N 3.35Å; T146-S211 PolarHBondContact OG1-OG 2.81Å; T146-F221 HydrophobicContact CG2-CD1 4.27Å |
| 147 | A | 98.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 35 Ų | 35 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 153.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T95 L97 V161 Y162 S211 | T95-A147 HydrophobicContact CG2-CB 3.9Å; L97-A147 HydrophobicContact CD1-CB 4.07Å; L97-A147 WeakPolarHBondContact CD2-O 3.31Å; A147-V161 HydrophobicContact CB-CG2 3.88Å; A147-Y162 CarbonylContact C-O 3.56Å; A147-Y162 WeakPolarHBondContact CA-O 3.35Å; A147-Y162 WeakPolarHBondContact CB-O 3.31Å; A147-S211 PolarHBondContact N-OG 3.48Å; A147-S211 PolarHBondContact O-OG 3.22Å |
| 148 | V | 97.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 36 Ų | 36 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 138.6 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 109.5 | V150 V161 Y162 D213 V219 | V148-V150 HydrophobicContact CG1-CG2 4.44Å; V148-V161 WeakPolarHBondContact O-CA 3.03Å; V148-Y162 PolarHBondContact N-O 3.03Å; V148-Y162 PolarHBondContact O-N 2.83Å; V148-D213 HydrophobicContact CG2-CB 4.14Å; V148-V219 HydrophobicContact CG1-CG1 3.63Å |
| 149 | W | 97.7 | Very high | 95.9 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.2 | 174.5 | -173.9 | -94.7 | 0 | 0 | 0 | 109.7 | L97 K99 F105 E151 P159 V161 | L97-W149 HydrophobicContact CB-CB 4.16Å; L97-W149 HydrophobicContact CD1-CB 4.26Å; K99-W149 HydrophobicContact CB-CZ2 4.28Å; K99-W149 HydrophobicContact CD-CH2 3.86Å; K99-W149 HydrophobicContact CD-CZ2 3.73Å; K99-W149 HydrophobicContact CD-CZ3 4.38Å; K99-W149 HydrophobicContact CG-CD2 3.92Å; K99-W149 HydrophobicContact CG-CE3 4.25Å; K99-W149 HydrophobicContact CG-CG 4.49Å; K99-W149 HydrophobicContact CG-CH2 4.13Å; K99-W149 HydrophobicContact CG-CZ2 3.75Å; K99-W149 HydrophobicContact CG-CZ3 4.36Å; F105-W149 HydrophobicContact CB-CE3 4.36Å; F105-W149 HydrophobicContact CB-CZ3 4.47Å; F105-W149 HydrophobicContact CD2-CE3 4.13Å; F105-W149 HydrophobicContact CD2-CH2 4.46Å; F105-W149 AromaticContact CD2-CZ3 3.56Å; F105-W149 HydrophobicContact CD2-CZ3 3.56Å; F105-W149 AromaticContact CE2-CZ3 3.97Å; F105-W149 HydrophobicContact CE2-CZ3 3.97Å; F105-W149 HydrophobicContact CG-CE3 4.27Å; F105-W149 HydrophobicContact CG-CZ3 4.16Å; W149-E151 PolarHBondContact NE1-OE2 3.23Å; W149-P159 HydrophobicContact CZ2-CB 3.62Å; W149-V161 HydrophobicContact CE3-CB 4.09Å; W149-V161 HydrophobicContact CZ3-CB 4.35Å |
| 150 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 110.2 | -179.8 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | V148 H152 N154 P159 S160 Y162 D213 V219 K246 | V148-V150 HydrophobicContact CG1-CG2 4.44Å; V150-H152 WeakPolarHBondContact CG1-O 3.44Å; V150-N154 PolarHBondContact O-ND2 2.82Å; V150-P159 VanDerWaalsContact O-CA 3.28Å; V150-P159 WeakPolarHBondContact O-CA 3Å; V150-S160 PolarHBondContact N-O 2.9Å; V150-S160 PolarHBondContact O-N 2.99Å; V150-Y162 HydrophobicContact CB-CD2 3.81Å; V150-Y162 HydrophobicContact CB-CE2 3.76Å; V150-Y162 HydrophobicContact CG1-CE2 4.12Å; V150-Y162 HydrophobicContact CG2-CD2 3.39Å; V150-Y162 HydrophobicContact CG2-CE2 3.71Å; V150-Y162 HydrophobicContact CG2-CG 4.3Å; V150-D213 HydrophobicContact CG2-CB 4.24Å; V150-V219 HydrophobicContact CG2-CG2 3.83Å; V150-K246 HydrophobicContact CG1-CD 3.75Å; V150-K246 HydrophobicContact CG1-CG 4.28Å |
| 151 | E | 95.9 | Very high | 96.1 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | trans | -79.9 | -34.6 | -177.1 | -163.2 | 62.7 | -146.5 | 0 | 0 | 112.5 | G100 W149 P159 | G100-E151 WeakPolarHBondContact CA-OE2 3.49Å; G100-E151 PolarHBondContact N-OE2 2.88Å; W149-E151 PolarHBondContact NE1-OE2 3.23Å; E151-P159 VanDerWaalsContact OE1-CG 3.29Å; E151-P159 WeakPolarHBondContact OE1-CG 3.28Å | ||
| 152 | H | 96.3 | Very high | 96.3 | Very high | 129 Ų | 129 | 37.1 Ų | 37.1 | 60% | 0.597 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -135.3 | 153.8 | -170.7 | -55.2 | -45.8 | 0 | 0 | 0 | 112.8 | V150 K246 | V150-H152 WeakPolarHBondContact CG1-O 3.44Å; H152-K246 WeakPolarHBondContact O-CD 3.39Å; H152-K246 PolarHBondContact O-NZ 3.23Å |
| 153 | G | 95.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 33% | 0.33 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 93.7 | -7.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K246 | G153-K246 CarbonylContact O-C 3.56Å; G153-K246 WeakPolarHBondContact O-CB 3.18Å |
| 154 | N | 97 | Very high | 96.7 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -70.1 | 158 | 169.7 | -68.1 | -33.3 | 0 | 0 | 0 | 111.2 | V150 G156 N157 I158 S160 Y162 L181 | V150-N154 PolarHBondContact O-ND2 2.82Å; N154-G156 PolarHBondContact O-N 3.41Å; N154-N157 VanDerWaalsContact O-CA 3.31Å; N154-N157 WeakPolarHBondContact O-CA 3.43Å; N154-N157 PolarHBondContact O-N 3.47Å; N154-I158 WeakPolarHBondContact CB-O 3.23Å; N154-I158 PolarHBondContact ND2-O 2.95Å; N154-S160 PolarHBondContact ND2-N 3.06Å; N154-Y162 VanDerWaalsContact OD1-CE2 3.27Å; N154-Y162 WeakPolarHBondContact OD1-CE2 3.4Å; N154-Y162 PolarHBondContact OD1-OH 3.07Å; N154-L181 HydrophobicContact CB-CD1 4.11Å |
| 155 | P | 95.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -50.9 | 130.3 | 171.5 | -27.2 | 33.4 | 0 | 0 | 0 | 112.5 | N157 I158 L181 W190 K246 V249 | P155-N157 PolarHBondContact O-N 3.08Å; P155-I158 PolarHBondContact O-N 2.99Å; P155-L181 HydrophobicContact CB-CD1 4.1Å; P155-L181 HydrophobicContact CG-CD1 4.15Å; P155-W190 HydrophobicContact CB-CD2 3.64Å; P155-W190 VanDerWaalsContact CB-CE2 3.42Å; P155-W190 HydrophobicContact CB-CE3 4.24Å; P155-W190 HydrophobicContact CB-CG 3.9Å; P155-W190 HydrophobicContact CB-CH2 4.43Å; P155-W190 HydrophobicContact CB-CZ2 3.86Å; P155-W190 HydrophobicContact CG-CD2 4.42Å; P155-K246 WeakPolarHBondContact CD-O 3.28Å; P155-V249 HydrophobicContact CB-CG1 4.07Å; P155-V249 HydrophobicContact CG-CG1 3.44Å; P155-V249 VanDerWaalsContact CG-CG1 3.44Å |
| 156 | G | 93.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 28.2 Ų | 28.2 | 68% | 0.68 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | 67.3 | 11.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | N154 I158 | N154-G156 PolarHBondContact O-N 3.41Å; G156-I158 PolarHBondContact O-N 3.19Å |
| 157 | N | 93.8 | Very high | 96.6 | Very high | 115 Ų | 115 | 28.2 Ų | 28.2 | 62% | 0.615 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | 52.4 | 37 | -171.9 | -70.1 | -40.3 | 0 | 0 | 0 | 113.1 | N154 P155 P159 | N154-N157 VanDerWaalsContact O-CA 3.31Å; N154-N157 WeakPolarHBondContact O-CA 3.43Å; N154-N157 PolarHBondContact O-N 3.47Å; P155-N157 PolarHBondContact O-N 3.08Å; N157-P159 WeakPolarHBondContact O-CD 3.16Å |
| 158 | I | 95.5 | Very high | 96.3 | Very high | 23 Ų | 23 | 30.3 Ų | 30.3 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | trans | -86.7 | 119 | 178.2 | -59.4 | 172.8 | 0 | 0 | 0 | 108.8 | N154 P155 G156 L181 R182 Q189 | N154-I158 WeakPolarHBondContact CB-O 3.23Å; N154-I158 PolarHBondContact ND2-O 2.95Å; P155-I158 PolarHBondContact O-N 2.99Å; G156-I158 PolarHBondContact O-N 3.19Å; I158-L181 HydrophobicContact CB-CB 4.11Å; I158-L181 HydrophobicContact CD1-CB 3.98Å; I158-L181 HydrophobicContact CG2-CB 4Å; I158-L181 HydrophobicContact CG2-CD2 4.43Å; I158-R182 WeakPolarHBondContact CG2-O 3.37Å; I158-Q189 HydrophobicContact CD1-CB 3.97Å; I158-Q189 HydrophobicContact CD1-CG 4.22Å | ||
| 159 | P | 95.7 | Very high | 95.9 | Very high | 46 Ų | 46 | 35 Ų | 35 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | trans | -58.6 | 144.7 | 176.6 | -25.3 | 35.3 | 0 | 0 | 0 | 112.1 | W149 V150 E151 N157 | W149-P159 HydrophobicContact CZ2-CB 3.62Å; V150-P159 VanDerWaalsContact O-CA 3.28Å; V150-P159 WeakPolarHBondContact O-CA 3Å; E151-P159 VanDerWaalsContact OE1-CG 3.29Å; E151-P159 WeakPolarHBondContact OE1-CG 3.28Å; N157-P159 WeakPolarHBondContact O-CD 3.16Å | ||
| 160 | S | 96.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 154.9 | 179.3 | -159.2 | 0 | 0 | 0 | 0 | 112.3 | V150 N154 L181 | V150-S160 PolarHBondContact N-O 2.9Å; V150-S160 PolarHBondContact O-N 2.99Å; N154-S160 PolarHBondContact ND2-N 3.06Å; S160-L181 WeakPolarHBondContact OG-CD2 3.35Å |
| 161 | V | 97.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.2 | 168.1 | 64.3 | 0 | 0 | 0 | 0 | 109.5 | L97 F105 I136 A147 V148 W149 P179 | L97-V161 HydrophobicContact CD1-CG2 3.73Å; F105-V161 HydrophobicContact CE1-CB 4.35Å; F105-V161 HydrophobicContact CE1-CG1 4.26Å; F105-V161 HydrophobicContact CE1-CG2 4.26Å; F105-V161 HydrophobicContact CE2-CG1 4.31Å; F105-V161 HydrophobicContact CZ-CB 4.19Å; F105-V161 HydrophobicContact CZ-CG1 3.75Å; I136-V161 HydrophobicContact CD1-CG1 4.29Å; I136-V161 HydrophobicContact CG2-CG1 4.14Å; I136-V161 HydrophobicContact CG2-CG2 4.45Å; A147-V161 HydrophobicContact CB-CG2 3.88Å; V148-V161 WeakPolarHBondContact O-CA 3.03Å; W149-V161 HydrophobicContact CE3-CB 4.09Å; W149-V161 HydrophobicContact CZ3-CB 4.35Å; V161-P179 HydrophobicContact CG1-CG 3.78Å; V161-P179 WeakPolarHBondContact O-CD 3.29Å |
| 162 | Y | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.9 | 164.7 | -76.1 | -103.8 | 0 | 0 | 0 | 107.7 | A147 V148 V150 N154 R178 V219 I244 K246 W259 | A147-Y162 CarbonylContact C-O 3.56Å; A147-Y162 WeakPolarHBondContact CA-O 3.35Å; A147-Y162 WeakPolarHBondContact CB-O 3.31Å; V148-Y162 PolarHBondContact N-O 3.03Å; V148-Y162 PolarHBondContact O-N 2.83Å; V150-Y162 HydrophobicContact CB-CD2 3.81Å; V150-Y162 HydrophobicContact CB-CE2 3.76Å; V150-Y162 HydrophobicContact CG1-CE2 4.12Å; V150-Y162 HydrophobicContact CG2-CD2 3.39Å; V150-Y162 HydrophobicContact CG2-CE2 3.71Å; V150-Y162 HydrophobicContact CG2-CG 4.3Å; N154-Y162 VanDerWaalsContact OD1-CE2 3.27Å; N154-Y162 WeakPolarHBondContact OD1-CE2 3.4Å; N154-Y162 PolarHBondContact OD1-OH 3.07Å; Y162-R178 HydrophobicContact CD1-CB 4.12Å; Y162-R178 HydrophobicContact CD1-CG 4.47Å; Y162-R178 HydrophobicContact CE1-CB 4.03Å; Y162-R178 HydrophobicContact CE1-CG 4.18Å; Y162-R178 HydrophobicContact CE2-CG 4.18Å; Y162-R178 VanDerWaalsContact CZ-CD 3.47Å; Y162-R178 WeakPolarHBondContact OH-CD 3.05Å; Y162-V219 HydrophobicContact CD1-CG2 4.18Å; Y162-V219 HydrophobicContact CD2-CG2 4.26Å; Y162-V219 HydrophobicContact CE1-CG2 4.25Å; Y162-V219 HydrophobicContact CE2-CG2 4.36Å; Y162-V219 HydrophobicContact CG-CG2 4.15Å; Y162-I244 HydrophobicContact CD1-CD1 3.5Å; Y162-I244 VanDerWaalsContact CD1-CD1 3.5Å; Y162-I244 HydrophobicContact CE1-CD1 3.6Å; Y162-I244 HydrophobicContact CE1-CG1 4.5Å; Y162-K246 PolarHBondContact OH-O 2.94Å; Y162-W259 HydrophobicContact CD1-CH2 4.26Å; Y162-W259 HydrophobicContact CD1-CZ2 4.3Å; Y162-W259 AromaticContact CE1-CH2 3.51Å; Y162-W259 HydrophobicContact CE1-CH2 3.51Å; Y162-W259 AromaticContact CE1-CZ2 3.99Å; Y162-W259 HydrophobicContact CE1-CZ2 3.99Å; Y162-W259 HydrophobicContact CE1-CZ3 4.33Å |
| 163 | S | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.3 | -170.9 | 45 | 0 | 0 | 0 | 0 | 110.5 | A135 I136 T146 I176 Y177 | A135-S163 PolarHBondContact O-OG 3.12Å; I136-S163 VanDerWaalsContact O-CB 3.26Å; I136-S163 WeakPolarHBondContact O-CB 3.41Å; T146-S163 CarbonylContact O-C 3.48Å; T146-S163 WeakPolarHBondContact O-CA 3.35Å; S163-I176 CarbonylContact O-C 3.59Å; S163-I176 VanDerWaalsContact O-CA 3.29Å; S163-I176 WeakPolarHBondContact O-CA 3.5Å; S163-Y177 PolarHBondContact N-O 2.78Å; S163-Y177 PolarHBondContact O-N 3.46Å; S163-Y177 PolarHBondContact OG-O 3.18Å |
| 164 | A | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 105.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | G145 T146 V175 I176 F208 F221 | G145-A164 VanDerWaalsContact CA-O 3.29Å; G145-A164 WeakPolarHBondContact CA-O 3.03Å; T146-A164 HydrophobicContact CG2-CB 3.97Å; T146-A164 PolarHBondContact N-O 3.32Å; T146-A164 PolarHBondContact O-N 2.99Å; A164-V175 VanDerWaalsContact CA-O 3.32Å; A164-V175 WeakPolarHBondContact CA-O 3.1Å; A164-I176 HydrophobicContact CB-CG1 3.74Å; A164-F208 HydrophobicContact CB-CB 4.02Å; A164-F208 HydrophobicContact CB-CD1 3.47Å; A164-F208 VanDerWaalsContact CB-CD1 3.47Å; A164-F208 HydrophobicContact CB-CD2 3.78Å; A164-F208 HydrophobicContact CB-CE1 3.74Å; A164-F208 HydrophobicContact CB-CE2 3.97Å; A164-F208 HydrophobicContact CB-CG 3.5Å; A164-F208 VanDerWaalsContact CB-CG 3.5Å; A164-F208 HydrophobicContact CB-CZ 3.96Å; A164-F208 WeakPolarHBondContact O-CB 3.28Å; A164-F208 WeakPolarHBondContact O-CD2 3.43Å; A164-F221 HydrophobicContact CB-CD1 3.61Å; A164-F221 HydrophobicContact CB-CE1 3.79Å |
| 165 | T | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | -177.5 | -171.6 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | A135 P138 R174 V175 | A135-T165 VanDerWaalsContact C-CG2 3.45Å; A135-T165 WeakPolarHBondContact O-CG2 3.1Å; P138-T165 WeakPolarHBondContact CA-OG1 3.13Å; P138-T165 WeakPolarHBondContact CD-OG1 3.33Å; T165-R174 WeakPolarHBondContact O-CA 3.35Å; T165-V175 PolarHBondContact N-O 2.81Å; T165-V175 VanDerWaalsContact N-O 3.17Å; T165-V175 PolarHBondContact O-N 3.05Å |
| 166 | V | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 147.4 | 169.8 | -67.5 | 0 | 0 | 0 | 0 | 112 | P138 Y173 R174 | P138-V166 HydrophobicContact CB-CG2 4.1Å; V166-Y173 CarbonylContact C-O 3.6Å; V166-Y173 WeakPolarHBondContact CA-O 3.45Å; V166-R174 HydrophobicContact CG1-CG 3.74Å |
| 167 | T | 94.8 | Very high | 95.2 | Very high | 20 Ų | 20 | 35.8 Ų | 35.8 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -76.5 | -33.1 | 178.6 | 52 | 0 | 0 | 0 | 0 | 113.2 | Y173 V175 | T167-Y173 PolarHBondContact N-O 3.34Å; T167-Y173 PolarHBondContact OG1-O 2.91Å; T167-V175 HydrophobicContact CG2-CB 4.5Å; T167-V175 HydrophobicContact CG2-CG1 4.02Å; T167-V175 HydrophobicContact CG2-CG2 3.67Å |
| 168 | D | 91.4 | Very high | 95.4 | Very high | 56 Ų | 56 | 30.4 Ų | 30.4 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -155.2 | -177.8 | -175 | 60.6 | 51.9 | 0 | 0 | 0 | 111.4 | T170 G171 | D168-T170 PolarHBondContact O-N 3.09Å; D168-T170 WeakPolarHBondContact OD1-CA 3.39Å; D168-T170 VanDerWaalsContact OD1-CB 3.27Å; D168-T170 WeakPolarHBondContact OD1-CB 3.48Å; D168-T170 WeakPolarHBondContact OD1-CG2 3.25Å; D168-T170 PolarHBondContact OD1-N 3.3Å; D168-T170 PolarHBondContact OD1-OG1 3.49Å; D168-G171 PolarHBondContact O-N 3.17Å |
| 169 | Y | 88.6 | Confident | 95.4 | Very high | 119 Ų | 119 | 30.2 Ų | 30.2 | 47% | 0.467 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13.6 | -176.6 | 72.9 | -88.9 | 0 | 0 | 0 | 114.9 | R81 | R81-Y169 HydrophobicContact CG-CE2 4.38Š|
| 170 | T | 90.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 29.3 Ų | 29.3 | 49% | 0.491 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -20.1 | 177.9 | 71.8 | 0 | 0 | 0 | 0 | 111.6 | D168 A172 | D168-T170 PolarHBondContact O-N 3.09Å; D168-T170 WeakPolarHBondContact OD1-CA 3.39Å; D168-T170 VanDerWaalsContact OD1-CB 3.27Å; D168-T170 WeakPolarHBondContact OD1-CB 3.48Å; D168-T170 WeakPolarHBondContact OD1-CG2 3.25Å; D168-T170 PolarHBondContact OD1-N 3.3Å; D168-T170 PolarHBondContact OD1-OG1 3.49Å; T170-A172 PolarHBondContact O-N 2.99Å; T170-A172 VanDerWaalsContact OG1-CB 3.28Å; T170-A172 WeakPolarHBondContact OG1-CB 3.38Å; T170-A172 PolarHBondContact OG1-N 3.37Å |
| 171 | G | 88.5 | Confident | 95.4 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | trans | 67.2 | 8.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114 | D168 Y173 | D168-G171 PolarHBondContact O-N 3.17Å; G171-Y173 PolarHBondContact O-N 2.84Å | ||
| 172 | A | 90.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 34.4 Ų | 34.4 | 52% | 0.521 | 18% | 0.175 | S | C | . | . | trans | -65.7 | -36.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T170 | T170-A172 PolarHBondContact O-N 2.99Å; T170-A172 VanDerWaalsContact OG1-CB 3.28Å; T170-A172 WeakPolarHBondContact OG1-CB 3.38Å; T170-A172 PolarHBondContact OG1-N 3.37Å | ||
| 173 | Y | 94.8 | Very high | 94.5 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 40% | 0.4 | 21% | 0.207 | S | C | . | . | trans | -125.8 | 140.7 | -178.9 | -51 | -60.6 | 0 | 0 | 0 | 111.5 | V166 T167 G171 A198 | V166-Y173 CarbonylContact C-O 3.6Å; V166-Y173 WeakPolarHBondContact CA-O 3.45Å; T167-Y173 PolarHBondContact N-O 3.34Å; T167-Y173 PolarHBondContact OG1-O 2.91Å; G171-Y173 PolarHBondContact O-N 2.84Å; Y173-A198 HydrophobicContact CD1-CB 3.97Å; Y173-A198 HydrophobicContact CE1-CB 3.56Å | ||
| 174 | R | 97 | Very high | 93.6 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 128 | 179.9 | -66 | -176.2 | 179.9 | -127.9 | -13.2 | 108.5 | D143 T165 V166 P206 F208 | D143-R174 IonicContact OD1-CZ 2.89Å; D143-R174 IonicContact OD1-NH2 3.22Å; D143-R174 PolarHBondContact OD1-NH2 3.21Å; D143-R174 IonicContact OD2-NH2 2.7Å; T165-R174 WeakPolarHBondContact O-CA 3.35Å; V166-R174 HydrophobicContact CG1-CG 3.74Å; R174-P206 HydrophobicContact CB-CG 3.61Å; R174-P206 WeakPolarHBondContact CD-O 3.31Å; R174-P206 HydrophobicContact CG-CG 4.45Å; R174-P206 PolarHBondContact NH1-O 2.89Å; R174-F208 HydrophobicContact CB-CE2 3.96Å |
| 175 | V | 97.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 153.8 | -170.1 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | A135 A164 T165 T167 T195 Q197 | A135-V175 HydrophobicContact CB-CG2 4.18Å; A164-V175 VanDerWaalsContact CA-O 3.32Å; A164-V175 WeakPolarHBondContact CA-O 3.1Å; T165-V175 PolarHBondContact N-O 2.81Å; T165-V175 VanDerWaalsContact N-O 3.17Å; T165-V175 PolarHBondContact O-N 3.05Å; T167-V175 HydrophobicContact CG2-CB 4.5Å; T167-V175 HydrophobicContact CG2-CG1 4.02Å; T167-V175 HydrophobicContact CG2-CG2 3.67Å; V175-T195 WeakPolarHBondContact CA-OG1 3.35Å; V175-T195 WeakPolarHBondContact CB-OG1 3.41Å; V175-Q197 HydrophobicContact CG1-CG 3.99Å |
| 176 | I | 98.5 | Very high | 91 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.2 | 159.9 | -64.9 | 161.1 | 0 | 0 | 0 | 107.4 | S163 A164 S194 T195 F208 F221 I244 W259 F262 | S163-I176 CarbonylContact O-C 3.59Å; S163-I176 VanDerWaalsContact O-CA 3.29Å; S163-I176 WeakPolarHBondContact O-CA 3.5Å; A164-I176 HydrophobicContact CB-CG1 3.74Å; I176-S194 CarbonylContact O-C 3.57Å; I176-S194 VanDerWaalsContact O-CA 3.23Å; I176-S194 WeakPolarHBondContact O-CA 3.26Å; I176-T195 HydrophobicContact CB-CG2 3.92Å; I176-T195 HydrophobicContact CD1-CG2 4.39Å; I176-T195 HydrophobicContact CG1-CG2 4.49Å; I176-T195 PolarHBondContact N-OG1 3.45Å; I176-T195 VanDerWaalsContact N-OG1 3.11Å; I176-T195 PolarHBondContact O-N 3.17Å; I176-F208 HydrophobicContact CD1-CE1 4.35Å; I176-F208 HydrophobicContact CG1-CE1 3.98Å; I176-F208 HydrophobicContact CG1-CZ 4.22Å; I176-F221 HydrophobicContact CD1-CB 4.29Å; I176-F221 HydrophobicContact CD1-CD1 4.5Å; I176-F221 HydrophobicContact CD1-CD2 4.05Å; I176-F221 HydrophobicContact CD1-CG 4.02Å; I176-F221 HydrophobicContact CG1-CD1 4.33Å; I176-F221 HydrophobicContact CG1-CE1 4.49Å; I176-F221 HydrophobicContact CG1-CG 4.34Å; I176-F221 HydrophobicContact CG2-CD2 4.18Å; I176-F221 HydrophobicContact CG2-CE1 3.95Å; I176-F221 HydrophobicContact CG2-CE2 3.58Å; I176-F221 HydrophobicContact CG2-CZ 3.43Å; I176-F221 VanDerWaalsContact CG2-CZ 3.43Å; I176-I244 HydrophobicContact CG2-CD1 4Å; I176-W259 PolarHBondContact O-NE1 3.25Å; I176-F262 HydrophobicContact CD1-CD2 4.2Å; I176-F262 HydrophobicContact CD1-CE2 3.57Å |
| 177 | Y | 98.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 64.9 Ų | 64.9 | 15% | 0.153 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.4 | -165.8 | 176.2 | -107 | 0 | 0 | 0 | 112.3 | A135 I136 S163 P179 Y192 M193 | A135-Y177 HydrophobicContact CB-CD1 3.92Å; A135-Y177 HydrophobicContact CB-CD2 4.39Å; A135-Y177 HydrophobicContact CB-CE1 4.34Å; A135-Y177 HydrophobicContact CB-CG 3.94Å; I136-Y177 HydrophobicContact CD1-CE1 4.45Å; I136-Y177 HydrophobicContact CG1-CD1 4.05Å; I136-Y177 HydrophobicContact CG1-CE1 3.92Å; S163-Y177 PolarHBondContact N-O 2.78Å; S163-Y177 PolarHBondContact O-N 3.46Å; S163-Y177 PolarHBondContact OG-O 3.18Å; Y177-P179 HydrophobicContact CE1-CB 3.81Å; Y177-P179 HydrophobicContact CE1-CG 4.44Å; Y177-P179 WeakPolarHBondContact OH-CA 3.33Å; Y177-Y192 HydrophobicContact CD2-CD2 4.29Å; Y177-Y192 AromaticContact CE2-CD2 3.7Å; Y177-Y192 HydrophobicContact CE2-CD2 3.7Å; Y177-Y192 AromaticContact CE2-CG 3.93Å; Y177-Y192 HydrophobicContact CE2-CG 3.93Å; Y177-M193 WeakPolarHBondContact CA-O 3.48Å; Y177-M193 WeakPolarHBondContact CD2-O 3.33Å |
| 178 | R | 97.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.1 | 164.9 | -176.4 | -168.5 | 75.1 | -155.4 | 0.2 | 108.3 | Y162 L181 Y192 M193 K246 D248 W259 | Y162-R178 HydrophobicContact CD1-CB 4.12Å; Y162-R178 HydrophobicContact CD1-CG 4.47Å; Y162-R178 HydrophobicContact CE1-CB 4.03Å; Y162-R178 HydrophobicContact CE1-CG 4.18Å; Y162-R178 HydrophobicContact CE2-CG 4.18Å; Y162-R178 VanDerWaalsContact CZ-CD 3.47Å; Y162-R178 WeakPolarHBondContact OH-CD 3.05Å; R178-L181 HydrophobicContact CG-CD2 4.41Å; R178-Y192 VanDerWaalsContact O-CA 3.28Å; R178-Y192 WeakPolarHBondContact O-CA 3.41Å; R178-Y192 WeakPolarHBondContact O-CB 3.05Å; R178-M193 HydrophobicContact CB-CB 4.42Å; R178-M193 PolarHBondContact N-O 3.37Å; R178-M193 PolarHBondContact O-N 3.06Å; R178-K246 PolarHBondContact NH1-O 3.03Å; R178-D248 PolarHBondContact NH1-O 3.28Å; R178-D248 VanDerWaalsContact NH1-O 3.13Å; R178-W259 HydrophobicContact CB-CH2 3.65Å; R178-W259 HydrophobicContact CB-CZ2 3.66Å; R178-W259 HydrophobicContact CG-CH2 4.48Å |
| 179 | P | 96.3 | Very high | 90.2 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 13% | 0.13 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 166.7 | 176.9 | 28.5 | -31.6 | 0 | 0 | 0 | 112.2 | I136 V161 Y177 L181 | I136-P179 HydrophobicContact CD1-CB 4.44Å; I136-P179 HydrophobicContact CD1-CG 4.33Å; V161-P179 HydrophobicContact CG1-CG 3.78Å; V161-P179 WeakPolarHBondContact O-CD 3.29Å; Y177-P179 HydrophobicContact CE1-CB 3.81Å; Y177-P179 HydrophobicContact CE1-CG 4.44Å; Y177-P179 WeakPolarHBondContact OH-CA 3.33Å; P179-L181 PolarHBondContact O-N 2.97Å |
| 180 | P | 96 | Very high | 90.5 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 134.4 | 178 | -19.8 | 30.2 | 0 | 0 | 0 | 111.6 | R182 V188 W190 | P180-R182 PolarHBondContact O-N 3.22Å; P180-R182 PolarHBondContact O-NH1 3.45Å; P180-V188 HydrophobicContact CB-CG1 3.8Å; P180-V188 HydrophobicContact CB-CG2 4.4Å; P180-W190 CarbonylContact C-O 3.56Å; P180-W190 WeakPolarHBondContact CA-O 3.14Å; P180-W190 WeakPolarHBondContact CB-O 3.44Å |
| 181 | L | 95.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 118.9 | 178.4 | -54.7 | -179.1 | 0 | 0 | 0 | 108.8 | N154 P155 I158 S160 R178 P179 Q189 W190 | N154-L181 HydrophobicContact CB-CD1 4.11Å; P155-L181 HydrophobicContact CB-CD1 4.1Å; P155-L181 HydrophobicContact CG-CD1 4.15Å; I158-L181 HydrophobicContact CB-CB 4.11Å; I158-L181 HydrophobicContact CD1-CB 3.98Å; I158-L181 HydrophobicContact CG2-CB 4Å; I158-L181 HydrophobicContact CG2-CD2 4.43Å; S160-L181 WeakPolarHBondContact OG-CD2 3.35Å; R178-L181 HydrophobicContact CG-CD2 4.41Å; P179-L181 PolarHBondContact O-N 2.97Å; L181-Q189 PolarHBondContact O-N 2.96Å; L181-W190 HydrophobicContact CB-CB 4Å; L181-W190 HydrophobicContact CB-CG 4.46Å; L181-W190 HydrophobicContact CD1-CB 4.1Å; L181-W190 HydrophobicContact CD1-CG 4.22Å; L181-W190 HydrophobicContact CG-CB 4.18Å; L181-W190 PolarHBondContact N-O 3.44Å; L181-W190 PolarHBondContact O-N 3.5Å |
| 182 | R | 91.8 | Very high | 91.2 | Very high | 115 Ų | 115 | 68.2 Ų | 68.2 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.5 | -177.3 | -68.7 | 179.4 | 175.2 | 84.3 | -4.2 | 110.6 | I158 P180 D187 V188 | I158-R182 WeakPolarHBondContact CG2-O 3.37Å; P180-R182 PolarHBondContact O-N 3.22Å; P180-R182 PolarHBondContact O-NH1 3.45Å; R182-D187 VanDerWaalsContact CA-O 3.29Å; R182-D187 WeakPolarHBondContact CA-O 3.24Å; R182-V188 HydrophobicContact CG-CG2 3.9Å |
| 183 | K | 84.9 | Confident | 91.5 | Very high | 153 Ų | 153 | 65.2 Ų | 65.2 | 67% | 0.665 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.9 | 168 | -168.7 | 176.6 | -178.2 | -179.3 | 0 | 108 | D187 Q189 | K183-D187 PolarHBondContact N-O 2.82Å; K183-Q189 HydrophobicContact CB-CG 3.95Å |
| 184 | G | 80 | Confident | 91.7 | Very high | 66 Ų | 66 | 61 Ų | 61 | 68% | 0.68 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -154.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 185 | Q | 71.1 | Confident | 91.7 | Very high | 162 Ų | 162 | 58.5 Ų | 58.5 | 76% | 0.757 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -32.4 | -171.4 | -75.3 | -173 | -25.7 | 0 | 0 | 114.3 | ||
| 186 | E | 70.1 | Confident | 91.6 | Very high | 167 Ų | 167 | 60.1 Ų | 60.1 | 78% | 0.78 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | -24.6 | -165.6 | -62.4 | -167.5 | 158.9 | 0 | 0 | 115.9 | V188 | E186-V188 PolarHBondContact O-N 3.36Å; E186-V188 VanDerWaalsContact O-N 3.07Å |
| 187 | D | 84.5 | Confident | 91.2 | Very high | 93 Ų | 93 | 65.4 Ų | 65.4 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 102.8 | -172 | -168.7 | 18 | 0 | 0 | 0 | 112 | R182 K183 Q189 | R182-D187 VanDerWaalsContact CA-O 3.29Å; R182-D187 WeakPolarHBondContact CA-O 3.24Å; K183-D187 PolarHBondContact N-O 2.82Å; D187-Q189 PolarHBondContact O-N 3.29Å; D187-Q189 PolarHBondContact OD2-NE2 2.84Å |
| 188 | V | 90 | Very high | 90.6 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 102.3 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | P180 R182 E186 W190 | P180-V188 HydrophobicContact CB-CG1 3.8Å; P180-V188 HydrophobicContact CB-CG2 4.4Å; R182-V188 HydrophobicContact CG-CG2 3.9Å; E186-V188 PolarHBondContact O-N 3.36Å; E186-V188 VanDerWaalsContact O-N 3.07Å; V188-W190 WeakPolarHBondContact CG1-O 3.48Å |
| 189 | Q | 92.2 | Very high | 90.3 | Very high | 92 Ų | 92 | 69 Ų | 69 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -36.7 | 178.3 | -70.9 | -71.5 | -43.5 | 0 | 0 | 111.5 | I158 L181 K183 D187 | I158-Q189 HydrophobicContact CD1-CB 3.97Å; I158-Q189 HydrophobicContact CD1-CG 4.22Å; L181-Q189 PolarHBondContact O-N 2.96Å; K183-Q189 HydrophobicContact CB-CG 3.95Å; D187-Q189 PolarHBondContact O-N 3.29Å; D187-Q189 PolarHBondContact OD2-NE2 2.84Å |
| 190 | W | 95.1 | Very high | 90.1 | Very high | 75 Ų | 75 | 70.9 Ų | 70.9 | 28% | 0.284 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.6 | 179.1 | -56.3 | 86 | 0 | 0 | 0 | 110.9 | P155 P180 L181 V188 V249 | P155-W190 HydrophobicContact CB-CD2 3.64Å; P155-W190 VanDerWaalsContact CB-CE2 3.42Å; P155-W190 HydrophobicContact CB-CE3 4.24Å; P155-W190 HydrophobicContact CB-CG 3.9Å; P155-W190 HydrophobicContact CB-CH2 4.43Å; P155-W190 HydrophobicContact CB-CZ2 3.86Å; P155-W190 HydrophobicContact CG-CD2 4.42Å; P180-W190 CarbonylContact C-O 3.56Å; P180-W190 WeakPolarHBondContact CA-O 3.14Å; P180-W190 WeakPolarHBondContact CB-O 3.44Å; L181-W190 HydrophobicContact CB-CB 4Å; L181-W190 HydrophobicContact CB-CG 4.46Å; L181-W190 HydrophobicContact CD1-CB 4.1Å; L181-W190 HydrophobicContact CD1-CG 4.22Å; L181-W190 HydrophobicContact CG-CB 4.18Å; L181-W190 PolarHBondContact N-O 3.44Å; L181-W190 PolarHBondContact O-N 3.5Å; V188-W190 WeakPolarHBondContact CG1-O 3.48Å; W190-V249 HydrophobicContact CD2-CG1 4.36Å; W190-V249 HydrophobicContact CE3-CB 4.03Å; W190-V249 HydrophobicContact CE3-CG1 3.53Å; W190-V249 HydrophobicContact CH2-CG1 4.11Å; W190-V249 HydrophobicContact CZ3-CB 3.82Å; W190-V249 HydrophobicContact CZ3-CG1 3.39Å; W190-V249 HydrophobicContact CZ3-CG2 4.32Å |
| 191 | P | 95.6 | Very high | 89.8 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 31% | 0.305 | 38% | 0.38 | S | S | . | . | trans | -65.8 | 169.1 | 176.8 | 30.6 | -35.8 | 0 | 0 | 0 | 111.5 | Q257 | P191-Q257 HydrophobicContact CB-CG 3.92Å; P191-Q257 VanDerWaalsContact CB-NE2 3.32Å; P191-Q257 HydrophobicContact CG-CG 4.1Å | ||
| 192 | Y | 96.8 | Very high | 89.8 | Confident | 89 Ų | 89 | 73 Ų | 73 | 35% | 0.349 | 38% | 0.379 | S | S | . | . | trans | -60.9 | 161.5 | 167.5 | 74.6 | -89.6 | 0 | 0 | 0 | 111 | Y177 R178 Q257 | Y177-Y192 HydrophobicContact CD2-CD2 4.29Å; Y177-Y192 AromaticContact CE2-CD2 3.7Å; Y177-Y192 HydrophobicContact CE2-CD2 3.7Å; Y177-Y192 AromaticContact CE2-CG 3.93Å; Y177-Y192 HydrophobicContact CE2-CG 3.93Å; R178-Y192 VanDerWaalsContact O-CA 3.28Å; R178-Y192 WeakPolarHBondContact O-CA 3.41Å; R178-Y192 WeakPolarHBondContact O-CB 3.05Å; Y192-Q257 HydrophobicContact CE2-CB 4.11Å; Y192-Q257 PolarHBondContact OH-OE1 2.8Å; Y192-Q257 VanDerWaalsContact OH-OE1 3.14Å | ||
| 193 | M | 97.9 | Very high | 90 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.6 | 174 | -71.2 | -68.6 | -69.8 | 0 | 0 | 109.5 | Y177 R178 G250 Q257 T258 W259 | Y177-M193 WeakPolarHBondContact CA-O 3.48Å; Y177-M193 WeakPolarHBondContact CD2-O 3.33Å; R178-M193 HydrophobicContact CB-CB 4.42Å; R178-M193 PolarHBondContact N-O 3.37Å; R178-M193 PolarHBondContact O-N 3.06Å; M193-G250 VanDerWaalsContact CE-N 3.26Å; M193-Q257 WeakPolarHBondContact CA-O 3.38Å; M193-Q257 VanDerWaalsContact SD-C 3.59Å; M193-T258 VanDerWaalsContact CE-O 3.31Å; M193-T258 WeakPolarHBondContact CE-O 3.35Å; M193-W259 HydrophobicContact CB-CD2 3.96Å; M193-W259 HydrophobicContact CB-CE3 3.9Å; M193-W259 HydrophobicContact CB-CH2 3.27Å; M193-W259 HydrophobicContact CB-CZ2 3.32Å; M193-W259 HydrophobicContact CB-CZ3 3.58Å; M193-W259 HydrophobicContact CE-CD2 4Å; M193-W259 HydrophobicContact CE-CE3 3.48Å; M193-W259 VanDerWaalsContact CE-CE3 3.48Å; M193-W259 HydrophobicContact CE-CZ3 3.91Å; M193-W259 HydrophobicContact CG-CE3 4.28Å; M193-W259 HydrophobicContact CG-CH2 3.94Å; M193-W259 HydrophobicContact CG-CZ2 4.44Å; M193-W259 HydrophobicContact CG-CZ3 3.85Å |
| 194 | S | 97.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 166.8 | 175.5 | 74.2 | 0 | 0 | 0 | 0 | 113.3 | I176 Q257 T258 W259 | I176-S194 CarbonylContact O-C 3.57Å; I176-S194 VanDerWaalsContact O-CA 3.23Å; I176-S194 WeakPolarHBondContact O-CA 3.26Å; S194-Q257 PolarHBondContact N-O 2.89Å; S194-T258 VanDerWaalsContact O-CA 3.24Å; S194-T258 WeakPolarHBondContact O-CA 3.19Å; S194-T258 WeakPolarHBondContact O-CG2 3.39Å; S194-W259 PolarHBondContact O-N 3.06Å; S194-W259 VanDerWaalsContact O-N 3.08Å |
| 195 | T | 97.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -69 | 161.1 | 158.2 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | V175 I176 Q197 W202 L203 W259 F262 | V175-T195 WeakPolarHBondContact CA-OG1 3.35Å; V175-T195 WeakPolarHBondContact CB-OG1 3.41Å; I176-T195 HydrophobicContact CB-CG2 3.92Å; I176-T195 HydrophobicContact CD1-CG2 4.39Å; I176-T195 HydrophobicContact CG1-CG2 4.49Å; I176-T195 PolarHBondContact N-OG1 3.45Å; I176-T195 VanDerWaalsContact N-OG1 3.11Å; I176-T195 PolarHBondContact O-N 3.17Å; T195-Q197 PolarHBondContact O-N 3.31Å; T195-W202 HydrophobicContact CG2-CE3 3.9Å; T195-W202 HydrophobicContact CG2-CZ3 4.2Å; T195-L203 HydrophobicContact CG2-CD1 4.15Å; T195-W259 VanDerWaalsContact N-CD1 3.34Å; T195-F262 HydrophobicContact CG2-CD2 3.99Å; T195-F262 HydrophobicContact CG2-CE2 4.14Å; T195-F262 HydrophobicContact CG2-CG 4.24Å; T195-F262 HydrophobicContact CG2-CZ 4.49Å |
| 196 | I | 94.9 | Very high | 92.4 | Very high | 35 Ų | 35 | 61 Ų | 61 | 18% | 0.179 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 129.1 | 174.6 | -56.5 | 178.8 | 0 | 0 | 0 | 109.3 | D199 W202 L255 T258 K372 | I196-D199 HydrophobicContact CB-CB 3.99Å; I196-D199 HydrophobicContact CG2-CB 3.68Å; I196-W202 HydrophobicContact CB-CD2 4.34Å; I196-W202 HydrophobicContact CD1-CD2 4.16Å; I196-W202 VanDerWaalsContact CD1-CE2 3.49Å; I196-W202 HydrophobicContact CD1-CH2 4.21Å; I196-W202 HydrophobicContact CD1-CZ2 3.54Å; I196-W202 HydrophobicContact CG1-CD2 4.08Å; I196-W202 HydrophobicContact CG1-CE3 4.32Å; I196-W202 HydrophobicContact CG1-CH2 4.06Å; I196-W202 HydrophobicContact CG1-CZ2 3.88Å; I196-W202 HydrophobicContact CG1-CZ3 4.31Å; I196-L255 HydrophobicContact CD1-CD2 3.8Å; I196-L255 HydrophobicContact CG1-CD2 4.33Å; I196-T258 HydrophobicContact CD1-CG2 4.47Å; I196-T258 HydrophobicContact CG1-CG2 3.58Å; I196-K372 HydrophobicContact CD1-CD 4.37Å; I196-K372 HydrophobicContact CD1-CG 3.84Å |
| 197 | Q | 90.1 | Very high | 93.6 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 52% | 0.523 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 140.3 | 174.5 | -66 | 179.5 | -8.4 | 0 | 0 | 110.2 | V175 T195 D199 | V175-Q197 HydrophobicContact CG1-CG 3.99Å; T195-Q197 PolarHBondContact O-N 3.31Å; Q197-D199 PolarHBondContact O-N 3.27Å; Q197-D199 VanDerWaalsContact O-N 3.15Å |
| 198 | A | 86.6 | Confident | 94.3 | Very high | 81 Ų | 81 | 50.3 Ų | 50.3 | 67% | 0.669 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 15.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y173 | Y173-A198 HydrophobicContact CD1-CB 3.97Å; Y173-A198 HydrophobicContact CE1-CB 3.56Å |
| 199 | D | 91.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | trans | -98.2 | 105 | 176 | -165.4 | -32.9 | 0 | 0 | 0 | 111.5 | I196 Q197 K201 W202 L203 | I196-D199 HydrophobicContact CB-CB 3.99Å; I196-D199 HydrophobicContact CG2-CB 3.68Å; Q197-D199 PolarHBondContact O-N 3.27Å; Q197-D199 VanDerWaalsContact O-N 3.15Å; D199-K201 PolarHBondContact O-N 3.4Å; D199-K201 VanDerWaalsContact O-N 3.16Å; D199-K201 VanDerWaalsContact OD1-CB 3.29Å; D199-K201 WeakPolarHBondContact OD1-CB 3.34Å; D199-K201 PolarHBondContact OD1-N 2.91Å; D199-W202 WeakPolarHBondContact O-CB 3.28Å; D199-W202 PolarHBondContact O-N 3.07Å; D199-L203 PolarHBondContact O-N 2.9Å | ||
| 200 | S | 91 | Very high | 95 | Very high | 60 Ų | 60 | 44.1 Ų | 44.1 | 42% | 0.42 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.3 | 179.8 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | W202 V228 | S200-W202 PolarHBondContact O-N 2.75Å; S200-V228 WeakPolarHBondContact O-CG1 3.17Å |
| 201 | K | 91.1 | Very high | 95.1 | Very high | 74 Ų | 74 | 41 Ų | 41 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -29.8 | 174.7 | -63.1 | -179.7 | -179.7 | 178.7 | 0 | 111.4 | D199 K264 | D199-K201 PolarHBondContact O-N 3.4Å; D199-K201 VanDerWaalsContact O-N 3.16Å; D199-K201 VanDerWaalsContact OD1-CB 3.29Å; D199-K201 WeakPolarHBondContact OD1-CB 3.34Å; D199-K201 PolarHBondContact OD1-N 2.91Å; K201-K264 WeakPolarHBondContact O-CE 3.13Å; K201-K264 PolarHBondContact O-NZ 3.31Å |
| 202 | W | 95 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -55.5 | 179.6 | -74.4 | 57 | 0 | 0 | 0 | 111.1 | T195 I196 D199 S200 L255 T258 W259 F262 K264 V371 K372 | T195-W202 HydrophobicContact CG2-CE3 3.9Å; T195-W202 HydrophobicContact CG2-CZ3 4.2Å; I196-W202 HydrophobicContact CB-CD2 4.34Å; I196-W202 HydrophobicContact CD1-CD2 4.16Å; I196-W202 VanDerWaalsContact CD1-CE2 3.49Å; I196-W202 HydrophobicContact CD1-CH2 4.21Å; I196-W202 HydrophobicContact CD1-CZ2 3.54Å; I196-W202 HydrophobicContact CG1-CD2 4.08Å; I196-W202 HydrophobicContact CG1-CE3 4.32Å; I196-W202 HydrophobicContact CG1-CH2 4.06Å; I196-W202 HydrophobicContact CG1-CZ2 3.88Å; I196-W202 HydrophobicContact CG1-CZ3 4.31Å; D199-W202 WeakPolarHBondContact O-CB 3.28Å; D199-W202 PolarHBondContact O-N 3.07Å; S200-W202 PolarHBondContact O-N 2.75Å; W202-L255 HydrophobicContact CZ2-CD2 4.43Å; W202-T258 HydrophobicContact CH2-CG2 3.83Å; W202-T258 HydrophobicContact CZ3-CG2 4.15Å; W202-W259 WeakPolarHBondContact CH2-O 3.36Å; W202-W259 HydrophobicContact CZ3-CB 4.41Å; W202-F262 HydrophobicContact CB-CE1 4.3Å; W202-F262 AromaticContact CD2-CD1 3.98Å; W202-F262 HydrophobicContact CD2-CD1 3.98Å; W202-F262 HydrophobicContact CD2-CE1 4.33Å; W202-F262 HydrophobicContact CE3-CB 4.26Å; W202-F262 AromaticContact CE3-CD1 3.41Å; W202-F262 HydrophobicContact CE3-CD1 3.41Å; W202-F262 VanDerWaalsContact CE3-CD1 3.41Å; W202-F262 AromaticContact CE3-CE1 3.96Å; W202-F262 HydrophobicContact CE3-CE1 3.96Å; W202-F262 AromaticContact CE3-CG 3.97Å; W202-F262 HydrophobicContact CE3-CG 3.97Å; W202-F262 HydrophobicContact CH2-CB 4.42Å; W202-F262 HydrophobicContact CZ3-CB 3.78Å; W202-F262 AromaticContact CZ3-CD1 3.83Å; W202-F262 HydrophobicContact CZ3-CD1 3.83Å; W202-F262 HydrophobicContact CZ3-CG 4Å; W202-K264 WeakPolarHBondContact O-CD 3.18Å; W202-K264 VanDerWaalsContact O-CE 3.28Å; W202-K264 WeakPolarHBondContact O-CE 3.49Å; W202-K264 PolarHBondContact O-NZ 3.37Å; W202-V371 HydrophobicContact CZ2-CG1 4.39Å; W202-K372 PolarHBondContact NE1-O 2.97Å |
| 203 | L | 96.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | trans | -147.4 | 125.7 | -177 | -67.1 | 172.7 | 0 | 0 | 0 | 109.1 | T195 D199 P206 F208 F223 E225 F262 | T195-L203 HydrophobicContact CG2-CD1 4.15Å; D199-L203 PolarHBondContact O-N 2.9Å; L203-P206 HydrophobicContact CB-CG 4.04Å; L203-P206 HydrophobicContact CD1-CG 4.43Å; L203-P206 HydrophobicContact CD2-CB 4.23Å; L203-P206 HydrophobicContact CD2-CG 4.26Å; L203-P206 HydrophobicContact CG-CG 4.48Å; L203-F208 HydrophobicContact CD1-CZ 4.05Å; L203-F208 HydrophobicContact CD2-CE1 4.35Å; L203-F223 HydrophobicContact CD2-CE2 3.73Å; L203-F223 HydrophobicContact CD2-CZ 3.8Å; L203-E225 WeakPolarHBondContact CA-OE2 3.38Å; L203-F262 HydrophobicContact CD2-CZ 4.17Å; L203-F262 HydrophobicContact CG-CZ 4.5Å | ||
| 204 | K | 94.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 38.7 Ų | 38.7 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -122.6 | 98.7 | 176.5 | -172.7 | 178.7 | 173.2 | -178.9 | 0 | 110.9 | E225 L226 V228 | K204-E225 PolarHBondContact N-OE2 3.05Å; K204-E225 VanDerWaalsContact N-OE2 3.1Å; K204-E225 WeakPolarHBondContact O-CB 3.13Å; K204-L226 HydrophobicContact CB-CB 4.45Å; K204-L226 HydrophobicContact CD-CB 3.9Å; K204-L226 HydrophobicContact CG-CB 3.98Å; K204-L226 HydrophobicContact CG-CD1 4.48Å; K204-L226 PolarHBondContact O-N 2.85Å; K204-V228 HydrophobicContact CB-CG1 3.98Å; K204-V228 HydrophobicContact CD-CG1 3.42Å; K204-V228 VanDerWaalsContact CD-CG1 3.42Å; K204-V228 HydrophobicContact CG-CG1 4.32Å |
| 205 | E | 94.1 | Very high | 94.9 | Very high | 145 Ų | 145 | 41 Ų | 41 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 50.5 | 54.7 | -176.6 | -62.6 | 176.1 | -157.6 | 0 | 0 | 112.7 | L226 | E205-L226 HydrophobicContact CB-CD1 4.37Å; E205-L226 HydrophobicContact CB-CG 4.38Å; E205-L226 HydrophobicContact CG-CD1 4.46Å; E205-L226 WeakPolarHBondContact OE2-CD1 3.4Å |
| 206 | P | 97 | Very high | 94.7 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | -71.2 | 144.5 | -177.2 | 33.1 | -38.8 | 0 | 0 | 0 | 111.6 | R174 L203 F208 F223 R224 E225 | R174-P206 HydrophobicContact CB-CG 3.61Å; R174-P206 WeakPolarHBondContact CD-O 3.31Å; R174-P206 HydrophobicContact CG-CG 4.45Å; R174-P206 PolarHBondContact NH1-O 2.89Å; L203-P206 HydrophobicContact CB-CG 4.04Å; L203-P206 HydrophobicContact CD1-CG 4.43Å; L203-P206 HydrophobicContact CD2-CB 4.23Å; L203-P206 HydrophobicContact CD2-CG 4.26Å; L203-P206 HydrophobicContact CG-CG 4.48Å; P206-F208 HydrophobicContact CB-CD1 4.43Å; P206-F208 HydrophobicContact CB-CE1 3.94Å; P206-F208 HydrophobicContact CB-CE2 4.35Å; P206-F208 HydrophobicContact CB-CZ 3.91Å; P206-F208 HydrophobicContact CG-CE1 4.13Å; P206-F208 HydrophobicContact CG-CE2 3.89Å; P206-F208 HydrophobicContact CG-CZ 3.58Å; P206-F223 HydrophobicContact CB-CD2 3.79Å; P206-F223 HydrophobicContact CB-CE2 4.23Å; P206-R224 CarbonylContact C-O 3.57Å; P206-R224 WeakPolarHBondContact CA-O 3.49Å; P206-E225 HydrophobicContact CB-CB 4.27Å | ||
| 207 | N | 97.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 105.8 | 166.7 | -174.5 | -30.9 | 0 | 0 | 0 | 107.9 | N144 I209 F223 R224 | N144-N207 WeakPolarHBondContact CB-OD1 3.44Å; N144-N207 VanDerWaalsContact CG-OD1 3.23Å; N144-N207 VanDerWaalsContact ND2-CG 3.35Å; N144-N207 PolarHBondContact ND2-ND2 3.4Å; N144-N207 PolarHBondContact ND2-OD1 3.39Å; N207-I209 WeakPolarHBondContact OD1-CD1 3.47Å; N207-F223 CarbonylContact O-C 3.47Å; N207-F223 VanDerWaalsContact O-CA 3.24Å; N207-F223 WeakPolarHBondContact O-CA 3.4Å; N207-F223 WeakPolarHBondContact O-CB 3.44Å; N207-R224 HydrophobicContact CB-CG 3.89Å; N207-R224 PolarHBondContact N-O 3.1Å; N207-R224 PolarHBondContact ND2-NH2 2.87Å; N207-R224 PolarHBondContact O-N 3.3Å |
| 208 | F | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.6 | -173.7 | -58.4 | -70.3 | 0 | 0 | 0 | 112 | T146 A164 R174 I176 L203 P206 F223 | T146-F208 HydrophobicContact CG2-CB 4.06Å; A164-F208 HydrophobicContact CB-CB 4.02Å; A164-F208 HydrophobicContact CB-CD1 3.47Å; A164-F208 VanDerWaalsContact CB-CD1 3.47Å; A164-F208 HydrophobicContact CB-CD2 3.78Å; A164-F208 HydrophobicContact CB-CE1 3.74Å; A164-F208 HydrophobicContact CB-CE2 3.97Å; A164-F208 HydrophobicContact CB-CG 3.5Å; A164-F208 VanDerWaalsContact CB-CG 3.5Å; A164-F208 HydrophobicContact CB-CZ 3.96Å; A164-F208 WeakPolarHBondContact O-CB 3.28Å; A164-F208 WeakPolarHBondContact O-CD2 3.43Å; R174-F208 HydrophobicContact CB-CE2 3.96Å; I176-F208 HydrophobicContact CD1-CE1 4.35Å; I176-F208 HydrophobicContact CG1-CE1 3.98Å; I176-F208 HydrophobicContact CG1-CZ 4.22Å; L203-F208 HydrophobicContact CD1-CZ 4.05Å; L203-F208 HydrophobicContact CD2-CE1 4.35Å; P206-F208 HydrophobicContact CB-CD1 4.43Å; P206-F208 HydrophobicContact CB-CE1 3.94Å; P206-F208 HydrophobicContact CB-CE2 4.35Å; P206-F208 HydrophobicContact CB-CZ 3.91Å; P206-F208 HydrophobicContact CG-CE1 4.13Å; P206-F208 HydrophobicContact CG-CE2 3.89Å; P206-F208 HydrophobicContact CG-CZ 3.58Å; F208-F223 HydrophobicContact CD1-CB 3.7Å; F208-F223 HydrophobicContact CD1-CD1 4.34Å; F208-F223 HydrophobicContact CD1-CG 4.01Å; F208-F223 HydrophobicContact CE1-CB 4.42Å; F208-F223 HydrophobicContact CE1-CG 4.28Å; F208-F223 HydrophobicContact CG-CB 4.43Å |
| 209 | I | 98.2 | Very high | 95.8 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -51 | -168.7 | -57.4 | -54.3 | 0 | 0 | 0 | 111.8 | N207 F222 R224 I282 Q283 | N207-I209 WeakPolarHBondContact OD1-CD1 3.47Å; I209-F222 WeakPolarHBondContact CB-O 3.29Å; I209-F222 PolarHBondContact N-O 2.75Å; I209-R224 VanDerWaalsContact CD1-NH1 3.3Å; I209-I282 HydrophobicContact CG1-CG2 4.04Å; I209-Q283 VanDerWaalsContact CG2-O 3.31Å; I209-Q283 WeakPolarHBondContact CG2-O 3.29Å |
| 210 | A | 98.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 7% | 0.066 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T146 F212 F221 F222 V285 | T146-A210 WeakPolarHBondContact OG1-CA 3.41Å; A210-F212 HydrophobicContact CB-CE2 3.58Å; A210-F212 HydrophobicContact CB-CZ 3.79Å; A210-F221 WeakPolarHBondContact O-CA 3.28Å; A210-F222 HydrophobicContact CB-CB 4.32Å; A210-F222 PolarHBondContact N-O 3.06Å; A210-F222 PolarHBondContact O-N 3.27Å; A210-V285 HydrophobicContact CB-CB 3.87Å; A210-V285 HydrophobicContact CB-CG2 4.24Å |
| 211 | S | 98.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 142.5 | 174.8 | 55 | 0 | 0 | 0 | 0 | 110.6 | T146 A147 Y220 | T146-S211 PolarHBondContact OG1-N 3.35Å; T146-S211 PolarHBondContact OG1-OG 2.81Å; A147-S211 PolarHBondContact N-OG 3.48Å; A147-S211 PolarHBondContact O-OG 3.22Å; S211-Y220 CarbonylContact C-O 3.57Å; S211-Y220 WeakPolarHBondContact CA-O 3.13Å |
| 212 | F | 98.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 137.1 | -173.6 | -58 | -77.1 | 0 | 0 | 0 | 111.9 | A210 V214 Y220 F222 V285 M287 F297 | A210-F212 HydrophobicContact CB-CE2 3.58Å; A210-F212 HydrophobicContact CB-CZ 3.79Å; F212-V214 HydrophobicContact CB-CG1 4.34Å; F212-Y220 PolarHBondContact N-O 3.19Å; F212-Y220 PolarHBondContact O-N 2.78Å; F212-F222 AromaticContact CD2-CD2 3.84Å; F212-F222 HydrophobicContact CD2-CD2 3.84Å; F212-F222 AromaticContact CD2-CE2 3.66Å; F212-F222 HydrophobicContact CD2-CE2 3.66Å; F212-F222 AromaticContact CE2-CD2 3.83Å; F212-F222 HydrophobicContact CE2-CD2 3.83Å; F212-F222 AromaticContact CE2-CE2 3.89Å; F212-F222 HydrophobicContact CE2-CE2 3.89Å; F212-V285 HydrophobicContact CE2-CB 4.07Å; F212-V285 HydrophobicContact CE2-CG1 3.78Å; F212-V285 HydrophobicContact CZ-CB 4.25Å; F212-V285 HydrophobicContact CZ-CG1 4.13Å; F212-V285 WeakPolarHBondContact CZ-O 3.26Å; F212-M287 HydrophobicContact CB-SD 4.15Å; F212-M287 HydrophobicContact CD1-CB 3.72Å; F212-M287 HydrophobicContact CD1-CE 4.11Å; F212-M287 HydrophobicContact CD1-CG 4.4Å; F212-M287 HydrophobicContact CD1-SD 3.94Å; F212-M287 HydrophobicContact CE1-CB 3.54Å; F212-M287 HydrophobicContact CG-CB 4.36Å; F212-M287 HydrophobicContact CG-SD 4.18Å; F212-M287 HydrophobicContact CZ-CB 4.03Å; F212-F297 HydrophobicContact CB-CE1 4.38Å; F212-F297 HydrophobicContact CD2-CD1 4.14Å; F212-F297 AromaticContact CD2-CE1 3.68Å; F212-F297 HydrophobicContact CD2-CE1 3.68Å; F212-F297 HydrophobicContact CE2-CD1 4.1Å; F212-F297 HydrophobicContact CE2-CE1 4.1Å; F212-F297 HydrophobicContact CG-CE1 4.02Å |
| 213 | D | 96.9 | Very high | 97 | Very high | 40 Ų | 40 | 26.9 Ų | 26.9 | 21% | 0.214 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 110.9 | 160.5 | -177.9 | -2.6 | 0 | 0 | 0 | 108.7 | V148 V150 G215 K246 | V148-D213 HydrophobicContact CG2-CB 4.14Å; V150-D213 HydrophobicContact CG2-CB 4.24Å; D213-G215 PolarHBondContact OD1-N 3.24Å; D213-K246 VanDerWaalsContact OD1-CE 3.31Å; D213-K246 WeakPolarHBondContact OD1-CE 3.44Å; D213-K246 IonicContact OD1-NZ 3.76Å; D213-K246 PolarHBondContact OD1-NZ 2.81Å; D213-K246 IonicContact OD2-NZ 3.38Å; D213-K246 PolarHBondContact OD2-NZ 2.84Å |
| 214 | V | 94.4 | Very high | 97.1 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | trans | -95.1 | -3 | 180 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | F212 D216 Y220 M287 T295 F297 L318 | F212-V214 HydrophobicContact CB-CG1 4.34Å; V214-D216 HydrophobicContact CG2-CB 4.13Å; V214-D216 VanDerWaalsContact CG2-CG 3.44Å; V214-D216 VanDerWaalsContact CG2-OD1 3.26Å; V214-D216 WeakPolarHBondContact CG2-OD1 3.48Å; V214-Y220 HydrophobicContact CG1-CD2 4.18Å; V214-Y220 HydrophobicContact CG1-CE2 4.48Å; V214-Y220 HydrophobicContact CG2-CD2 3.85Å; V214-Y220 HydrophobicContact CG2-CE2 3.41Å; V214-Y220 VanDerWaalsContact CG2-CE2 3.41Å; V214-M287 HydrophobicContact CG1-SD 3.98Å; V214-T295 HydrophobicContact CG1-CG2 4.43Å; V214-F297 HydrophobicContact CG1-CZ 3.98Å; V214-L318 HydrophobicContact CB-CD2 3.9Å; V214-L318 HydrophobicContact CG1-CD1 4.48Å; V214-L318 HydrophobicContact CG1-CD2 4.21Å; V214-L318 HydrophobicContact CG2-CD1 4.25Å; V214-L318 HydrophobicContact CG2-CD2 3.76Å | ||
| 215 | G | 92.6 | Very high | 97.2 | Very high | 63 Ų | 63 | 24 Ų | 24 | 65% | 0.649 | 14% | 0.142 | S | C | * | . | S | Bend | trans | 85.1 | 8.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D213 | D213-G215 PolarHBondContact OD1-N 3.24Š|
| 216 | D | 94.6 | Very high | 97.2 | Very high | 43 Ų | 43 | 18.8 Ų | 18.8 | 23% | 0.23 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -96.5 | 12.7 | -178 | 71.9 | -12.5 | 0 | 0 | 0 | 114.1 | V214 Y218 Y220 | V214-D216 HydrophobicContact CG2-CB 4.13Å; V214-D216 VanDerWaalsContact CG2-CG 3.44Å; V214-D216 VanDerWaalsContact CG2-OD1 3.26Å; V214-D216 WeakPolarHBondContact CG2-OD1 3.48Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 WeakPolarHBondContact O-CD2 3.42Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.43Å; D216-Y218 PolarHBondContact OD1-N 2.84Å; D216-Y220 PolarHBondContact OD2-OH 3.08Å |
| 217 | G | 96.5 | Very high | 97 | Very high | 26 Ų | 26 | 19 Ų | 19 | 27% | 0.268 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 87.6 | -3.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K246 | G217-K246 WeakPolarHBondContact O-CB 3.28Å; G217-K246 VanDerWaalsContact O-CG 3.29Å; G217-K246 WeakPolarHBondContact O-CG 3.33Å; G217-K246 PolarHBondContact O-N 2.85Å |
| 218 | Y | 98.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 160.5 | 176.1 | -59.2 | -88.9 | 0 | 0 | 0 | 112.3 | D216 R243 I244 C245 K246 C356 | D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 WeakPolarHBondContact O-CD2 3.42Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.43Å; D216-Y218 PolarHBondContact OD1-N 2.84Å; Y218-R243 HydrophobicContact CD1-CG 4.37Å; Y218-I244 CarbonylContact C-O 3.59Å; Y218-I244 WeakPolarHBondContact CA-O 3.29Å; Y218-I244 WeakPolarHBondContact CB-O 3.4Å; Y218-I244 WeakPolarHBondContact CD1-O 3.36Å; Y218-C245 HydrophobicContact CD1-CB 4.17Å; Y218-C245 HydrophobicContact CE1-CB 4.01Å; Y218-K246 VanDerWaalsContact O-CE 3.3Å; Y218-K246 WeakPolarHBondContact O-CE 3.35Å; Y218-C356 VanDerWaalsContact CE1-SG 3.59Å; Y218-C356 VanDerWaalsContact CZ-SG 3.54Å; Y218-C356 PolarHBondContact OH-N 2.96Å; Y218-C356 VanDerWaalsContact OH-N 3.14Å |
| 219 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.4 | 165.5 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | V148 V150 Y162 F221 R243 I244 K246 | V148-V219 HydrophobicContact CG1-CG1 3.63Å; V150-V219 HydrophobicContact CG2-CG2 3.83Å; Y162-V219 HydrophobicContact CD1-CG2 4.18Å; Y162-V219 HydrophobicContact CD2-CG2 4.26Å; Y162-V219 HydrophobicContact CE1-CG2 4.25Å; Y162-V219 HydrophobicContact CE2-CG2 4.36Å; Y162-V219 HydrophobicContact CG-CG2 4.15Å; V219-F221 HydrophobicContact CB-CE2 4.03Å; V219-F221 HydrophobicContact CG1-CD2 4.38Å; V219-F221 HydrophobicContact CG1-CE2 3.58Å; V219-F221 HydrophobicContact CG1-CZ 3.71Å; V219-R243 WeakPolarHBondContact O-CA 3.24Å; V219-I244 HydrophobicContact CB-CD1 4.32Å; V219-I244 HydrophobicContact CB-CG1 3.92Å; V219-I244 PolarHBondContact N-O 3.1Å; V219-I244 PolarHBondContact O-N 2.78Å; V219-K246 HydrophobicContact CG2-CG 3.85Å |
| 220 | Y | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.6 | -178.2 | -65.5 | -95.1 | 0 | 0 | 0 | 110.6 | S211 F212 V214 D216 V241 A242 R243 L318 I321 K322 F325 | S211-Y220 CarbonylContact C-O 3.57Å; S211-Y220 WeakPolarHBondContact CA-O 3.13Å; F212-Y220 PolarHBondContact N-O 3.19Å; F212-Y220 PolarHBondContact O-N 2.78Å; V214-Y220 HydrophobicContact CG1-CD2 4.18Å; V214-Y220 HydrophobicContact CG1-CE2 4.48Å; V214-Y220 HydrophobicContact CG2-CD2 3.85Å; V214-Y220 HydrophobicContact CG2-CE2 3.41Å; V214-Y220 VanDerWaalsContact CG2-CE2 3.41Å; D216-Y220 PolarHBondContact OD2-OH 3.08Å; Y220-V241 HydrophobicContact CD1-CG1 4.21Å; Y220-A242 CarbonylContact C-O 3.38Å; Y220-A242 VanDerWaalsContact CA-O 3.3Å; Y220-A242 WeakPolarHBondContact CA-O 3.38Å; Y220-R243 HydrophobicContact CD1-CB 3.9Å; Y220-R243 HydrophobicContact CE1-CB 3.87Å; Y220-L318 HydrophobicContact CE1-CD1 4.19Å; Y220-L318 HydrophobicContact CE2-CD1 4.05Å; Y220-I321 HydrophobicContact CD1-CG2 4.19Å; Y220-I321 HydrophobicContact CE1-CG2 3.88Å; Y220-K322 WeakPolarHBondContact OH-CG 3.41Å; Y220-F325 HydrophobicContact CE1-CE2 4.36Å |
| 221 | F | 98.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.3 | 178.1 | -64.2 | -92.9 | 0 | 0 | 0 | 110.3 | T146 A164 I176 A210 V219 F223 V241 A242 I244 | T146-F221 HydrophobicContact CG2-CD1 4.27Å; A164-F221 HydrophobicContact CB-CD1 3.61Å; A164-F221 HydrophobicContact CB-CE1 3.79Å; I176-F221 HydrophobicContact CD1-CB 4.29Å; I176-F221 HydrophobicContact CD1-CD1 4.5Å; I176-F221 HydrophobicContact CD1-CD2 4.05Å; I176-F221 HydrophobicContact CD1-CG 4.02Å; I176-F221 HydrophobicContact CG1-CD1 4.33Å; I176-F221 HydrophobicContact CG1-CE1 4.49Å; I176-F221 HydrophobicContact CG1-CG 4.34Å; I176-F221 HydrophobicContact CG2-CD2 4.18Å; I176-F221 HydrophobicContact CG2-CE1 3.95Å; I176-F221 HydrophobicContact CG2-CE2 3.58Å; I176-F221 HydrophobicContact CG2-CZ 3.43Å; I176-F221 VanDerWaalsContact CG2-CZ 3.43Å; A210-F221 WeakPolarHBondContact O-CA 3.28Å; V219-F221 HydrophobicContact CB-CE2 4.03Å; V219-F221 HydrophobicContact CG1-CD2 4.38Å; V219-F221 HydrophobicContact CG1-CE2 3.58Å; V219-F221 HydrophobicContact CG1-CZ 3.71Å; F221-F223 HydrophobicContact CB-CD1 4.48Å; F221-V241 CarbonylContact O-C 3.6Å; F221-V241 WeakPolarHBondContact O-CA 3.38Å; F221-A242 PolarHBondContact N-O 3.12Å; F221-A242 PolarHBondContact O-N 3.2Å; F221-I244 HydrophobicContact CE2-CD1 3.65Å; F221-I244 HydrophobicContact CE2-CG1 3.93Å; F221-I244 HydrophobicContact CZ-CD1 4.21Å |
| 222 | F | 98.9 | Very high | 92 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.2 | 176.1 | -67.4 | -103.5 | 0 | 0 | 0 | 108.8 | I209 A210 F212 R240 V241 I267 I282 V285 F297 I321 | I209-F222 WeakPolarHBondContact CB-O 3.29Å; I209-F222 PolarHBondContact N-O 2.75Å; A210-F222 HydrophobicContact CB-CB 4.32Å; A210-F222 PolarHBondContact N-O 3.06Å; A210-F222 PolarHBondContact O-N 3.27Å; F212-F222 AromaticContact CD2-CD2 3.84Å; F212-F222 HydrophobicContact CD2-CD2 3.84Å; F212-F222 AromaticContact CD2-CE2 3.66Å; F212-F222 HydrophobicContact CD2-CE2 3.66Å; F212-F222 AromaticContact CE2-CD2 3.83Å; F212-F222 HydrophobicContact CE2-CD2 3.83Å; F212-F222 AromaticContact CE2-CE2 3.89Å; F212-F222 HydrophobicContact CE2-CE2 3.89Å; F222-R240 WeakPolarHBondContact CA-O 3.36Å; F222-V241 HydrophobicContact CD1-CG2 3.56Å; F222-V241 HydrophobicContact CE1-CB 4.47Å; F222-V241 HydrophobicContact CE1-CG1 4.34Å; F222-V241 HydrophobicContact CE1-CG2 3.35Å; F222-V241 HydrophobicContact CE2-CG1 4.45Å; F222-V241 HydrophobicContact CG-CG2 4.38Å; F222-V241 HydrophobicContact CZ-CG1 4.2Å; F222-V241 HydrophobicContact CZ-CG2 4.01Å; F222-I267 HydrophobicContact CD1-CD1 4.49Å; F222-I267 HydrophobicContact CE1-CD1 4.08Å; F222-I282 HydrophobicContact CB-CD1 4.37Å; F222-I282 HydrophobicContact CD1-CD1 4.12Å; F222-V285 HydrophobicContact CB-CG2 3.74Å; F222-V285 HydrophobicContact CD1-CG1 4.22Å; F222-V285 HydrophobicContact CD1-CG2 3.79Å; F222-V285 HydrophobicContact CD2-CG1 4.45Å; F222-V285 HydrophobicContact CE1-CG1 4.23Å; F222-V285 HydrophobicContact CE2-CG1 4.48Å; F222-V285 HydrophobicContact CG-CB 4.42Å; F222-V285 HydrophobicContact CG-CG1 4.33Å; F222-V285 HydrophobicContact CG-CG2 3.79Å; F222-V285 HydrophobicContact CZ-CG1 4.37Å; F222-F297 HydrophobicContact CE1-CB 4.43Å; F222-F297 HydrophobicContact CE1-CG 4.38Å; F222-F297 AromaticContact CE2-CD1 3.93Å; F222-F297 HydrophobicContact CE2-CD1 3.93Å; F222-F297 AromaticContact CE2-CE1 3.92Å; F222-F297 HydrophobicContact CE2-CE1 3.92Å; F222-F297 HydrophobicContact CE2-CG 4.42Å; F222-F297 HydrophobicContact CE2-CZ 4.4Å; F222-F297 HydrophobicContact CZ-CB 4.22Å; F222-F297 AromaticContact CZ-CD1 3.67Å; F222-F297 HydrophobicContact CZ-CD1 3.67Å; F222-F297 HydrophobicContact CZ-CD2 4.05Å; F222-F297 AromaticContact CZ-CE1 3.97Å; F222-F297 HydrophobicContact CZ-CE1 3.97Å; F222-F297 HydrophobicContact CZ-CE2 4.32Å; F222-F297 AromaticContact CZ-CG 3.7Å; F222-F297 HydrophobicContact CZ-CG 3.7Å; F222-F297 HydrophobicContact CZ-CZ 4.27Å; F222-I321 HydrophobicContact CZ-CD1 4.27Å |
| 223 | F | 98.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 169.5 | -175.7 | 62.6 | -80.5 | 0 | 0 | 0 | 110.9 | L203 P206 N207 F208 F221 E225 S239 R240 A242 K264 | L203-F223 HydrophobicContact CD2-CE2 3.73Å; L203-F223 HydrophobicContact CD2-CZ 3.8Å; P206-F223 HydrophobicContact CB-CD2 3.79Å; P206-F223 HydrophobicContact CB-CE2 4.23Å; N207-F223 CarbonylContact O-C 3.47Å; N207-F223 VanDerWaalsContact O-CA 3.24Å; N207-F223 WeakPolarHBondContact O-CA 3.4Å; N207-F223 WeakPolarHBondContact O-CB 3.44Å; F208-F223 HydrophobicContact CD1-CB 3.7Å; F208-F223 HydrophobicContact CD1-CD1 4.34Å; F208-F223 HydrophobicContact CD1-CG 4.01Å; F208-F223 HydrophobicContact CE1-CB 4.42Å; F208-F223 HydrophobicContact CE1-CG 4.28Å; F208-F223 HydrophobicContact CG-CB 4.43Å; F221-F223 HydrophobicContact CB-CD1 4.48Å; F223-E225 HydrophobicContact CD2-CB 4.21Å; F223-E225 HydrophobicContact CD2-CG 4.47Å; F223-E225 HydrophobicContact CE2-CB 4.18Å; F223-E225 HydrophobicContact CE2-CG 4.08Å; F223-S239 CarbonylContact O-C 3.55Å; F223-S239 WeakPolarHBondContact O-CA 3.29Å; F223-R240 HydrophobicContact CD1-CB 3.95Å; F223-R240 HydrophobicContact CD2-CB 3.98Å; F223-R240 HydrophobicContact CD2-CG 4.16Å; F223-R240 HydrophobicContact CE1-CB 3.61Å; F223-R240 HydrophobicContact CE1-CG 4.47Å; F223-R240 HydrophobicContact CE2-CB 3.67Å; F223-R240 HydrophobicContact CE2-CG 3.67Å; F223-R240 HydrophobicContact CG-CB 4.11Å; F223-R240 HydrophobicContact CZ-CB 3.47Å; F223-R240 VanDerWaalsContact CZ-CB 3.47Å; F223-R240 HydrophobicContact CZ-CG 3.85Å; F223-R240 PolarHBondContact N-O 3.28Å; F223-R240 VanDerWaalsContact N-O 3.13Å; F223-R240 PolarHBondContact O-N 2.03Å; F223-A242 HydrophobicContact CE1-CB 3.68Å; F223-A242 HydrophobicContact CZ-CB 4.34Å; F223-K264 HydrophobicContact CZ-CB 4.4Å; F223-K264 HydrophobicContact CZ-CD 4.26Å |
| 224 | R | 97.8 | Very high | 89.3 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.6 | 166.2 | 60.5 | -174.3 | -175.5 | -97.4 | 5.9 | 109.8 | P206 N207 I209 V237 Y238 E281 I282 | P206-R224 CarbonylContact C-O 3.57Å; P206-R224 WeakPolarHBondContact CA-O 3.49Å; N207-R224 HydrophobicContact CB-CG 3.89Å; N207-R224 PolarHBondContact N-O 3.1Å; N207-R224 PolarHBondContact ND2-NH2 2.87Å; N207-R224 PolarHBondContact O-N 3.3Å; I209-R224 VanDerWaalsContact CD1-NH1 3.3Å; R224-V237 HydrophobicContact CB-CG1 3.83Å; R224-V237 HydrophobicContact CG-CG1 4.21Å; R224-Y238 CarbonylContact C-O 3.47Å; R224-Y238 VanDerWaalsContact CA-O 3.27Å; R224-Y238 WeakPolarHBondContact CA-O 3.49Å; R224-E281 IonicContact NE-OE2 3.98Å; R224-I282 HydrophobicContact CB-CG2 4.18Å; R224-I282 PolarHBondContact NH1-O 2.53Å |
| 225 | E | 96.5 | Very high | 88.6 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 171.9 | -178.7 | 69.2 | 173.2 | 170.4 | 0 | 0 | 110.2 | L203 K204 P206 F223 G227 V237 Y238 R240 K264 | L203-E225 WeakPolarHBondContact CA-OE2 3.38Å; K204-E225 PolarHBondContact N-OE2 3.05Å; K204-E225 VanDerWaalsContact N-OE2 3.1Å; K204-E225 WeakPolarHBondContact O-CB 3.13Å; P206-E225 HydrophobicContact CB-CB 4.27Å; F223-E225 HydrophobicContact CD2-CB 4.21Å; F223-E225 HydrophobicContact CD2-CG 4.47Å; F223-E225 HydrophobicContact CE2-CB 4.18Å; F223-E225 HydrophobicContact CE2-CG 4.08Å; E225-G227 PolarHBondContact O-N 3.12Å; E225-V237 CarbonylContact O-C 3.42Å; E225-V237 WeakPolarHBondContact O-CA 3.06Å; E225-Y238 PolarHBondContact N-O 3.32Å; E225-Y238 PolarHBondContact O-N 3.42Å; E225-R240 HydrophobicContact CG-CG 3.93Å; E225-R240 IonicContact OE1-CZ 3.77Å; E225-R240 IonicContact OE1-NE 2.72Å; E225-R240 PolarHBondContact OE1-NE 2.89Å; E225-R240 IonicContact OE1-NH2 3.98Å; E225-R240 PolarHBondContact OE1-NH2 3.36Å; E225-K264 VanDerWaalsContact CD-NZ 3.26Å; E225-K264 WeakPolarHBondContact OE1-CD 3.46Å; E225-K264 WeakPolarHBondContact OE1-CE 3.1Å; E225-K264 IonicContact OE1-NZ 3.74Å; E225-K264 PolarHBondContact OE1-NZ 3.41Å; E225-K264 IonicContact OE2-NZ 2.62Å; E225-K264 PolarHBondContact OE2-NZ 3.4Å |
| 226 | L | 94.4 | Very high | 88.4 | Confident | 35 Ų | 35 | 39.7 Ų | 39.7 | 18% | 0.183 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.5 | 168.6 | -61.9 | -177.4 | 0 | 0 | 0 | 110 | K204 E205 V228 A235 V237 | K204-L226 HydrophobicContact CB-CB 4.45Å; K204-L226 HydrophobicContact CD-CB 3.9Å; K204-L226 HydrophobicContact CG-CB 3.98Å; K204-L226 HydrophobicContact CG-CD1 4.48Å; K204-L226 PolarHBondContact O-N 2.85Å; E205-L226 HydrophobicContact CB-CD1 4.37Å; E205-L226 HydrophobicContact CB-CG 4.38Å; E205-L226 HydrophobicContact CG-CD1 4.46Å; E205-L226 WeakPolarHBondContact OE2-CD1 3.4Å; L226-V228 PolarHBondContact O-N 3.32Å; L226-A235 HydrophobicContact CD2-CB 4.32Å; L226-V237 HydrophobicContact CD2-CG2 4.16Å |
| 227 | G | 92.5 | Very high | 88.4 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | trans | -69.2 | 98.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E225 E229 Y230 A236 | E225-G227 PolarHBondContact O-N 3.12Å; G227-E229 WeakPolarHBondContact CA-OE2 3.43Å; G227-E229 PolarHBondContact O-N 3.09Å; G227-Y230 WeakPolarHBondContact O-CB 3.34Å; G227-Y230 PolarHBondContact O-N 3.12Å; G227-Y230 VanDerWaalsContact O-N 3.09Å; G227-A236 PolarHBondContact N-O 2.79Å | ||
| 228 | V | 88.8 | Confident | 88.4 | Confident | 24 Ų | 24 | 39.6 Ų | 39.6 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.2 | 175.4 | -70 | 0 | 0 | 0 | 0 | 113.5 | S200 K204 L226 Y230 W340 | S200-V228 WeakPolarHBondContact O-CG1 3.17Å; K204-V228 HydrophobicContact CB-CG1 3.98Å; K204-V228 HydrophobicContact CD-CG1 3.42Å; K204-V228 VanDerWaalsContact CD-CG1 3.42Å; K204-V228 HydrophobicContact CG-CG1 4.32Å; L226-V228 PolarHBondContact O-N 3.32Å; V228-Y230 VanDerWaalsContact C-N 3.32Å; V228-W340 HydrophobicContact CB-CZ2 3.91Å; V228-W340 HydrophobicContact CG2-CH2 3.9Å; V228-W340 HydrophobicContact CG2-CZ2 3.47Å; V228-W340 VanDerWaalsContact CG2-CZ2 3.47Å; V228-W340 PolarHBondContact O-NE1 3.14Å |
| 229 | E | 89 | Confident | 88.4 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -8.7 | 177.9 | 75.8 | -85.1 | -146.3 | 0 | 0 | 114.5 | G227 A231 Y238 R240 W340 L376 | G227-E229 WeakPolarHBondContact CA-OE2 3.43Å; G227-E229 PolarHBondContact O-N 3.09Å; E229-A231 PolarHBondContact O-N 2.64Å; E229-Y238 HydrophobicContact CG-CE2 4.04Å; E229-Y238 VanDerWaalsContact OE1-CD2 3.26Å; E229-Y238 WeakPolarHBondContact OE1-CD2 3.32Å; E229-R240 IonicContact OE1-CZ 2.77Å; E229-R240 IonicContact OE1-NH1 3.98Å; E229-R240 PolarHBondContact OE1-NH1 3.16Å; E229-R240 IonicContact OE1-NH2 2.78Å; E229-R240 PolarHBondContact OE1-NH2 3.12Å; E229-R240 IonicContact OE2-CZ 3.95Å; E229-R240 IonicContact OE2-NH1 3.71Å; E229-R240 IonicContact OE2-NH2 2.79Å; E229-R240 PolarHBondContact OE2-NH2 3.31Å; E229-W340 HydrophobicContact CB-CB 3.99Å; E229-W340 HydrophobicContact CB-CD2 3.97Å; E229-W340 HydrophobicContact CB-CG 3.69Å; E229-L376 HydrophobicContact CB-CD2 4.11Å; E229-L376 HydrophobicContact CG-CD2 4.29Å |
| 230 | Y | 79.6 | Confident | 88.4 | Confident | 97 Ų | 97 | 38.3 Ų | 38.3 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | trans | -78.5 | 103.6 | 175.3 | -167.2 | -108.8 | 0 | 0 | 0 | 109.1 | G227 V228 S232 D234 A236 Y238 | G227-Y230 WeakPolarHBondContact O-CB 3.34Å; G227-Y230 PolarHBondContact O-N 3.12Å; G227-Y230 VanDerWaalsContact O-N 3.09Å; V228-Y230 VanDerWaalsContact C-N 3.32Å; Y230-S232 VanDerWaalsContact C-N 3.27Å; Y230-S232 PolarHBondContact O-N 3.21Å; Y230-D234 WeakPolarHBondContact CD1-O 3.25Å; Y230-D234 VanDerWaalsContact CE1-O 3.23Å; Y230-D234 WeakPolarHBondContact CE1-O 3.32Å; Y230-A236 HydrophobicContact CD1-CB 3.6Å; Y230-A236 HydrophobicContact CD2-CB 4.04Å; Y230-A236 HydrophobicContact CE1-CB 3.94Å; Y230-A236 HydrophobicContact CE2-CB 4.38Å; Y230-A236 HydrophobicContact CG-CB 3.63Å; Y230-Y238 WeakPolarHBondContact CD2-OH 3.4Å | ||
| 231 | A | 65 | Low | 88.4 | Confident | 85 Ų | 85 | 38.3 Ų | 38.3 | 70% | 0.702 | 24% | 0.238 | S | C | * | . | trans | -81.3 | 3.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | E229 | E229-A231 PolarHBondContact O-N 2.64Š| ||
| 232 | S | 63.7 | Low | 88.4 | Confident | 68 Ų | 68 | 38.3 Ų | 38.3 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -80.9 | 167.4 | 177.7 | -162.4 | 0 | 0 | 0 | 0 | 111.5 | Y230 D234 | Y230-S232 VanDerWaalsContact C-N 3.27Å; Y230-S232 PolarHBondContact O-N 3.21Å; S232-D234 PolarHBondContact O-N 2.02Å |
| 233 | C | 64.4 | Low | 88.3 | Confident | 137 Ų | 137 | 38.4 Ų | 38.4 | 93% | 0.926 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -64.1 | -25.6 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 234 | D | 72.6 | Confident | 88.3 | Confident | 118 Ų | 118 | 38.4 Ų | 38.4 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -87.8 | 144.2 | -179.2 | -64.3 | -36.2 | 0 | 0 | 0 | 112.2 | Y230 S232 | Y230-D234 WeakPolarHBondContact CD1-O 3.25Å; Y230-D234 VanDerWaalsContact CE1-O 3.23Å; Y230-D234 WeakPolarHBondContact CE1-O 3.32Å; S232-D234 PolarHBondContact O-N 2.02Å |
| 235 | A | 81.2 | Confident | 88.3 | Confident | 86 Ų | 86 | 37 Ų | 37 | 71% | 0.711 | 23% | 0.233 | S | C | * | . | trans | -75.5 | 127.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L226 | L226-A235 HydrophobicContact CD2-CB 4.32Š| ||
| 236 | A | 88.9 | Confident | 88.4 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | trans | -108.2 | 135.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G227 Y230 Y238 | G227-A236 PolarHBondContact N-O 2.79Å; Y230-A236 HydrophobicContact CD1-CB 3.6Å; Y230-A236 HydrophobicContact CD2-CB 4.04Å; Y230-A236 HydrophobicContact CE1-CB 3.94Å; Y230-A236 HydrophobicContact CE2-CB 4.38Å; Y230-A236 HydrophobicContact CG-CB 3.63Å; A236-Y238 HydrophobicContact CB-CE1 4.49Å | ||
| 237 | V | 94.3 | Very high | 88.5 | Confident | 41 Ų | 41 | 37.7 Ų | 37.7 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.8 | 168.7 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | R224 E225 L226 N280 E281 | R224-V237 HydrophobicContact CB-CG1 3.83Å; R224-V237 HydrophobicContact CG-CG1 4.21Å; E225-V237 CarbonylContact O-C 3.42Å; E225-V237 WeakPolarHBondContact O-CA 3.06Å; L226-V237 HydrophobicContact CD2-CG2 4.16Å; V237-N280 VanDerWaalsContact O-CB 3.26Å; V237-N280 WeakPolarHBondContact O-CB 3.33Å; V237-E281 HydrophobicContact CB-CG 4.28Å; V237-E281 HydrophobicContact CG1-CG 3.93Å |
| 238 | Y | 96.2 | Very high | 88.7 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.3 | 170.3 | -72.8 | -33 | 0 | 0 | 0 | 111.6 | R224 E225 E229 Y230 A236 | R224-Y238 CarbonylContact C-O 3.47Å; R224-Y238 VanDerWaalsContact CA-O 3.27Å; R224-Y238 WeakPolarHBondContact CA-O 3.49Å; E225-Y238 PolarHBondContact N-O 3.32Å; E225-Y238 PolarHBondContact O-N 3.42Å; E229-Y238 HydrophobicContact CG-CE2 4.04Å; E229-Y238 VanDerWaalsContact OE1-CD2 3.26Å; E229-Y238 WeakPolarHBondContact OE1-CD2 3.32Å; Y230-Y238 WeakPolarHBondContact CD2-OH 3.4Å; A236-Y238 HydrophobicContact CB-CE1 4.49Å |
| 239 | S | 98.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 141.5 | 167.5 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | F223 R266 I267 N280 I282 | F223-S239 CarbonylContact O-C 3.55Å; F223-S239 WeakPolarHBondContact O-CA 3.29Å; S239-R266 WeakPolarHBondContact O-CA 3.09Å; S239-I267 PolarHBondContact O-N 2.89Å; S239-N280 PolarHBondContact N-O 2.63Å; S239-N280 VanDerWaalsContact N-O 3.12Å; S239-N280 PolarHBondContact OG-O 3.2Å; S239-I282 VanDerWaalsContact OG-CB 3.27Å; S239-I282 WeakPolarHBondContact OG-CB 3.26Å; S239-I282 WeakPolarHBondContact OG-CG2 3.11Å; S239-I282 PolarHBondContact OG-N 2.91Å |
| 240 | R | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.1 | -173.5 | -60 | -61.1 | -165.1 | -162.9 | -6.3 | 111.9 | F222 F223 E225 E229 T265 | F222-R240 WeakPolarHBondContact CA-O 3.36Å; F223-R240 HydrophobicContact CD1-CB 3.95Å; F223-R240 HydrophobicContact CD2-CB 3.98Å; F223-R240 HydrophobicContact CD2-CG 4.16Å; F223-R240 HydrophobicContact CE1-CB 3.61Å; F223-R240 HydrophobicContact CE1-CG 4.47Å; F223-R240 HydrophobicContact CE2-CB 3.67Å; F223-R240 HydrophobicContact CE2-CG 3.67Å; F223-R240 HydrophobicContact CG-CB 4.11Å; F223-R240 HydrophobicContact CZ-CB 3.47Å; F223-R240 VanDerWaalsContact CZ-CB 3.47Å; F223-R240 HydrophobicContact CZ-CG 3.85Å; F223-R240 PolarHBondContact N-O 3.28Å; F223-R240 VanDerWaalsContact N-O 3.13Å; F223-R240 PolarHBondContact O-N 2.03Å; E225-R240 HydrophobicContact CG-CG 3.93Å; E225-R240 IonicContact OE1-CZ 3.77Å; E225-R240 IonicContact OE1-NE 2.72Å; E225-R240 PolarHBondContact OE1-NE 2.89Å; E225-R240 IonicContact OE1-NH2 3.98Å; E225-R240 PolarHBondContact OE1-NH2 3.36Å; E229-R240 IonicContact OE1-CZ 2.77Å; E229-R240 IonicContact OE1-NH1 3.98Å; E229-R240 PolarHBondContact OE1-NH1 3.16Å; E229-R240 IonicContact OE1-NH2 2.78Å; E229-R240 PolarHBondContact OE1-NH2 3.12Å; E229-R240 IonicContact OE2-CZ 3.95Å; E229-R240 IonicContact OE2-NH1 3.71Å; E229-R240 IonicContact OE2-NH2 2.79Å; E229-R240 PolarHBondContact OE2-NH2 3.31Å; R240-T265 VanDerWaalsContact CA-O 3.25Å; R240-T265 WeakPolarHBondContact CA-O 3.47Å; R240-T265 WeakPolarHBondContact CD-O 3.23Å |
| 241 | V | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.8 | 155 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | Y220 F221 F222 K264 T265 I267 I321 F325 I381 | Y220-V241 HydrophobicContact CD1-CG1 4.21Å; F221-V241 CarbonylContact O-C 3.6Å; F221-V241 WeakPolarHBondContact O-CA 3.38Å; F222-V241 HydrophobicContact CD1-CG2 3.56Å; F222-V241 HydrophobicContact CE1-CB 4.47Å; F222-V241 HydrophobicContact CE1-CG1 4.34Å; F222-V241 HydrophobicContact CE1-CG2 3.35Å; F222-V241 HydrophobicContact CE2-CG1 4.45Å; F222-V241 HydrophobicContact CG-CG2 4.38Å; F222-V241 HydrophobicContact CZ-CG1 4.2Å; F222-V241 HydrophobicContact CZ-CG2 4.01Å; V241-K264 CarbonylContact O-C 3.27Å; V241-K264 VanDerWaalsContact O-CA 3.31Å; V241-K264 WeakPolarHBondContact O-CA 3.36Å; V241-T265 PolarHBondContact N-O 2.88Å; V241-T265 PolarHBondContact O-N 3.21Å; V241-I267 HydrophobicContact CG2-CB 4.03Å; V241-I267 HydrophobicContact CG2-CD1 3.64Å; V241-I267 HydrophobicContact CG2-CG1 4.42Å; V241-I267 HydrophobicContact CG2-CG2 4.18Å; V241-I321 HydrophobicContact CG1-CG2 4.14Å; V241-F325 HydrophobicContact CG1-CE2 4.17Å; V241-F325 HydrophobicContact CG1-CZ 4.31Å; V241-F325 WeakPolarHBondContact O-CZ 3.33Å; V241-I381 HydrophobicContact CB-CD1 4.02Å; V241-I381 HydrophobicContact CG2-CD1 3.95Å |
| 242 | A | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 157 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y220 F221 F223 F262 L263 K264 | Y220-A242 CarbonylContact C-O 3.38Å; Y220-A242 VanDerWaalsContact CA-O 3.3Å; Y220-A242 WeakPolarHBondContact CA-O 3.38Å; F221-A242 PolarHBondContact N-O 3.12Å; F221-A242 PolarHBondContact O-N 3.2Å; F223-A242 HydrophobicContact CE1-CB 3.68Å; F223-A242 HydrophobicContact CZ-CB 4.34Å; A242-F262 HydrophobicContact CB-CD2 4.37Å; A242-F262 HydrophobicContact CB-CE2 3.6Å; A242-F262 HydrophobicContact CB-CZ 4.17Å; A242-L263 CarbonylContact C-O 3.46Å; A242-L263 WeakPolarHBondContact CA-O 3.01Å; A242-L263 VanDerWaalsContact CB-O 3.24Å; A242-L263 WeakPolarHBondContact CB-O 3.39Å; A242-K264 HydrophobicContact CB-CB 4.01Å |
| 243 | R | 97.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.9 | 170.1 | 74.6 | 173.6 | -169.3 | -170.7 | -1.4 | 111.1 | Y218 V219 Y220 L263 F325 D326 G354 | Y218-R243 HydrophobicContact CD1-CG 4.37Å; V219-R243 WeakPolarHBondContact O-CA 3.24Å; Y220-R243 HydrophobicContact CD1-CB 3.9Å; Y220-R243 HydrophobicContact CE1-CB 3.87Å; R243-L263 PolarHBondContact N-O 2.79Å; R243-L263 PolarHBondContact O-N 3.48Å; R243-F325 HydrophobicContact CB-CE2 4.25Å; R243-F325 HydrophobicContact CB-CZ 4.38Å; R243-F325 HydrophobicContact CG-CD1 4.18Å; R243-F325 HydrophobicContact CG-CD2 4.12Å; R243-F325 HydrophobicContact CG-CE1 4.21Å; R243-F325 HydrophobicContact CG-CE2 4.14Å; R243-F325 HydrophobicContact CG-CG 4.15Å; R243-F325 HydrophobicContact CG-CZ 4.18Å; R243-F325 VanDerWaalsContact NH1-CB 3.31Å; R243-D326 IonicContact CZ-OD1 3.22Å; R243-D326 VanDerWaalsContact CZ-OD1 3.25Å; R243-D326 IonicContact NH1-OD1 2.69Å; R243-D326 PolarHBondContact NH1-OD1 3.12Å; R243-D326 IonicContact NH1-OD2 2.63Å; R243-D326 IonicContact NH2-OD1 3.53Å; R243-D326 PolarHBondContact NH2-OD1 3.24Å; R243-G354 PolarHBondContact NH2-O 3.41Å |
| 244 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 146.8 | 170.4 | 57.9 | 178.4 | 0 | 0 | 0 | 109.4 | Y162 I176 Y218 V219 F221 W259 F262 | Y162-I244 HydrophobicContact CD1-CD1 3.5Å; Y162-I244 VanDerWaalsContact CD1-CD1 3.5Å; Y162-I244 HydrophobicContact CE1-CD1 3.6Å; Y162-I244 HydrophobicContact CE1-CG1 4.5Å; I176-I244 HydrophobicContact CG2-CD1 4Å; Y218-I244 CarbonylContact C-O 3.59Å; Y218-I244 WeakPolarHBondContact CA-O 3.29Å; Y218-I244 WeakPolarHBondContact CB-O 3.4Å; Y218-I244 WeakPolarHBondContact CD1-O 3.36Å; V219-I244 HydrophobicContact CB-CD1 4.32Å; V219-I244 HydrophobicContact CB-CG1 3.92Å; V219-I244 PolarHBondContact N-O 3.1Å; V219-I244 PolarHBondContact O-N 2.78Å; F221-I244 HydrophobicContact CE2-CD1 3.65Å; F221-I244 HydrophobicContact CE2-CG1 3.93Å; F221-I244 HydrophobicContact CZ-CD1 4.21Å; I244-W259 HydrophobicContact CD1-CD2 4.41Å; I244-W259 HydrophobicContact CD1-CH2 4.24Å; I244-W259 HydrophobicContact CD1-CZ2 3.97Å; I244-W259 HydrophobicContact CG2-CD2 4.42Å; I244-W259 HydrophobicContact CG2-CG 4.23Å; I244-F262 HydrophobicContact CG2-CB 4.04Å; I244-F262 HydrophobicContact CG2-CD2 3.83Å; I244-F262 HydrophobicContact CG2-CG 4.45Å |
| 245 | C | 97.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 132.9 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | Y218 S247 D248 S261 C356 | Y218-C245 HydrophobicContact CD1-CB 4.17Å; Y218-C245 HydrophobicContact CE1-CB 4.01Å; C245-S247 VanDerWaalsContact C-N 3.31Å; C245-S247 PolarHBondContact O-N 3.18Å; C245-S247 PolarHBondContact SG-OG 3.38Å; C245-D248 HydrophobicContact CB-CB 4.34Å; C245-D248 VanDerWaalsContact O-CB 3.24Å; C245-D248 WeakPolarHBondContact O-CB 3.29Å; C245-D248 PolarHBondContact O-N 3.4Å; C245-S261 WeakPolarHBondContact CB-OG 3.16Å; C245-S261 PolarHBondContact N-OG 2.91Å; C245-C356 HydrophobicContact CB-CB 4.13Å; C245-C356 WeakPolarHBondContact CB-SG 3.31Å; C245-C356 WeakPolarHBondContact SG-CA 3.45Å; C245-C356 WeakPolarHBondContact SG-CB 3.49Å; C245-C356 CovalentContact SG-SG 2.03Å; C245-C356 PolarHBondContact SG-SG 2.53Å |
| 246 | K | 97.7 | Very high | 96 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 4% | 0.039 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -35.7 | 179.5 | -64.8 | 173.3 | -170.5 | -172.1 | 0 | 113 | V150 H152 G153 P155 Y162 R178 D213 G217 Y218 V219 D248 | V150-K246 HydrophobicContact CG1-CD 3.75Å; V150-K246 HydrophobicContact CG1-CG 4.28Å; H152-K246 WeakPolarHBondContact O-CD 3.39Å; H152-K246 PolarHBondContact O-NZ 3.23Å; G153-K246 CarbonylContact O-C 3.56Å; G153-K246 WeakPolarHBondContact O-CB 3.18Å; P155-K246 WeakPolarHBondContact CD-O 3.28Å; Y162-K246 PolarHBondContact OH-O 2.94Å; R178-K246 PolarHBondContact NH1-O 3.03Å; D213-K246 VanDerWaalsContact OD1-CE 3.31Å; D213-K246 WeakPolarHBondContact OD1-CE 3.44Å; D213-K246 IonicContact OD1-NZ 3.76Å; D213-K246 PolarHBondContact OD1-NZ 2.81Å; D213-K246 IonicContact OD2-NZ 3.38Å; D213-K246 PolarHBondContact OD2-NZ 2.84Å; G217-K246 WeakPolarHBondContact O-CB 3.28Å; G217-K246 VanDerWaalsContact O-CG 3.29Å; G217-K246 WeakPolarHBondContact O-CG 3.33Å; G217-K246 PolarHBondContact O-N 2.85Å; Y218-K246 VanDerWaalsContact O-CE 3.3Å; Y218-K246 WeakPolarHBondContact O-CE 3.35Å; V219-K246 HydrophobicContact CG2-CG 3.85Å; K246-D248 PolarHBondContact O-N 2.8Å |
| 247 | S | 96.7 | Very high | 96.3 | Very high | 44 Ų | 44 | 33 Ų | 33 | 31% | 0.308 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 3.4 | -178.7 | 68.8 | 0 | 0 | 0 | 0 | 114 | C245 | C245-S247 VanDerWaalsContact C-N 3.31Å; C245-S247 PolarHBondContact O-N 3.18Å; C245-S247 PolarHBondContact SG-OG 3.38Å |
| 248 | D | 97.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | trans | -68.4 | 130.5 | 178.2 | -167 | -16.5 | 0 | 0 | 0 | 111.1 | R178 C245 K246 G250 W259 T260 S261 S360 | R178-D248 PolarHBondContact NH1-O 3.28Å; R178-D248 VanDerWaalsContact NH1-O 3.13Å; C245-D248 HydrophobicContact CB-CB 4.34Å; C245-D248 VanDerWaalsContact O-CB 3.24Å; C245-D248 WeakPolarHBondContact O-CB 3.29Å; C245-D248 PolarHBondContact O-N 3.4Å; K246-D248 PolarHBondContact O-N 2.8Å; D248-G250 PolarHBondContact OD1-N 2.89Å; D248-W259 HydrophobicContact CB-CE3 3.9Å; D248-W259 HydrophobicContact CB-CZ3 4.1Å; D248-T260 VanDerWaalsContact CG-OG1 3.28Å; D248-T260 PolarHBondContact OD1-N 2.9Å; D248-T260 PolarHBondContact OD1-OG1 2.04Å; D248-T260 PolarHBondContact OD2-N 2.86Å; D248-T260 PolarHBondContact OD2-OG1 3.08Å; D248-S261 WeakPolarHBondContact OD2-CB 3.25Å; D248-S261 PolarHBondContact OD2-N 2.95Å; D248-S261 PolarHBondContact OD2-OG 2.79Å; D248-S360 PolarHBondContact OD1-OG 3.19Å | ||
| 249 | V | 96.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 8% | 0.079 | 15% | 0.148 | C | C | . | . | trans | -123 | 10.4 | -176.1 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | P155 W190 D359 S360 K361 | P155-V249 HydrophobicContact CB-CG1 4.07Å; P155-V249 HydrophobicContact CG-CG1 3.44Å; P155-V249 VanDerWaalsContact CG-CG1 3.44Å; W190-V249 HydrophobicContact CD2-CG1 4.36Å; W190-V249 HydrophobicContact CE3-CB 4.03Å; W190-V249 HydrophobicContact CE3-CG1 3.53Å; W190-V249 HydrophobicContact CH2-CG1 4.11Å; W190-V249 HydrophobicContact CZ3-CB 3.82Å; W190-V249 HydrophobicContact CZ3-CG1 3.39Å; W190-V249 HydrophobicContact CZ3-CG2 4.32Å; V249-D359 WeakPolarHBondContact CG2-OD1 3.49Å; V249-S360 WeakPolarHBondContact CG2-OG 3.34Å; V249-S360 PolarHBondContact N-OG 3.08Å; V249-K361 HydrophobicContact CG2-CG 4.23Å | ||
| 250 | G | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | 81.9 | 175.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | M193 D248 T258 S360 K361 | M193-G250 VanDerWaalsContact CE-N 3.26Å; D248-G250 PolarHBondContact OD1-N 2.89Å; G250-T258 WeakPolarHBondContact CA-O 3.38Å; G250-S360 PolarHBondContact N-OG 2.91Å; G250-S360 VanDerWaalsContact N-OG 3.1Å; G250-S360 CarbonylContact O-C 3.29Å; G250-S360 VanDerWaalsContact O-C 3.29Å; G250-S360 WeakPolarHBondContact O-CB 3.43Å; G250-S360 PolarHBondContact O-OG 2.78Å; G250-K361 WeakPolarHBondContact O-CG 3.26Å; G250-K361 PolarHBondContact O-N 2.85Å | ||
| 251 | G | 95.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | trans | -86.8 | 165.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L254 L255 | G251-L254 CarbonylContact C-O 3.39Å; G251-L254 VanDerWaalsContact CA-O 3.23Å; G251-L254 WeakPolarHBondContact CA-O 3.39Å; G251-L255 PolarHBondContact N-O 3.07Å | ||
| 252 | R | 92.4 | Very high | 96.3 | Very high | 177 Ų | 177 | 31.2 Ų | 31.2 | 67% | 0.668 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -77.1 | -54.2 | -178.3 | -177.8 | -179.9 | 178.9 | 178.6 | 0.7 | 112.7 | K256 K361 | R252-K256 WeakPolarHBondContact O-CE 3.29Å; R252-K361 HydrophobicContact CB-CB 4.28Å; R252-K361 WeakPolarHBondContact CB-O 3.49Å |
| 253 | N | 91.6 | Very high | 96.3 | Very high | 101 Ų | 101 | 31.3 Ų | 31.3 | 54% | 0.54 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -108.5 | -49.5 | -176.7 | -67.1 | -29.6 | 0 | 0 | 0 | 111.5 | ||
| 254 | L | 93.7 | Very high | 96.3 | Very high | 51 Ų | 51 | 31.2 Ų | 31.2 | 27% | 0.267 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -93.2 | 155 | 170.6 | -169.8 | 62.3 | 0 | 0 | 0 | 110.3 | G251 K256 L368 H369 K372 | G251-L254 CarbonylContact C-O 3.39Å; G251-L254 VanDerWaalsContact CA-O 3.23Å; G251-L254 WeakPolarHBondContact CA-O 3.39Å; L254-K256 VanDerWaalsContact C-N 3.26Å; L254-K256 PolarHBondContact O-N 2.74Å; L254-L368 HydrophobicContact CB-CB 4.17Å; L254-L368 HydrophobicContact CB-CD1 4.14Å; L254-L368 HydrophobicContact CD2-CB 3.83Å; L254-L368 HydrophobicContact CG-CB 4.28Å; L254-H369 HydrophobicContact CD2-CB 4.28Å; L254-K372 HydrophobicContact CD1-CD 4.49Å |
| 255 | L | 94.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.063 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 52.7 | 38.6 | 179.1 | -56.9 | -174 | 0 | 0 | 0 | 113.9 | I196 W202 G251 Q257 T258 T260 L368 V371 K372 | I196-L255 HydrophobicContact CD1-CD2 3.8Å; I196-L255 HydrophobicContact CG1-CD2 4.33Å; W202-L255 HydrophobicContact CZ2-CD2 4.43Å; G251-L255 PolarHBondContact N-O 3.07Å; L255-Q257 PolarHBondContact O-N 3.07Å; L255-T258 HydrophobicContact CB-CG2 4.36Å; L255-T258 HydrophobicContact CD2-CG2 3.88Å; L255-T258 PolarHBondContact O-N 3.21Å; L255-T260 HydrophobicContact CB-CG2 4.37Å; L255-T260 HydrophobicContact CD1-CG2 4.4Å; L255-L368 HydrophobicContact CD1-CB 4.47Å; L255-L368 HydrophobicContact CD1-CD2 4.22Å; L255-V371 HydrophobicContact CD1-CB 4.28Å; L255-V371 HydrophobicContact CD1-CG1 3.91Å; L255-K372 HydrophobicContact CD2-CB 4.27Å; L255-K372 HydrophobicContact CD2-CD 4.4Å; L255-K372 HydrophobicContact CD2-CG 4.36Å |
| 256 | K | 95.2 | Very high | 96.3 | Very high | 130 Ų | 130 | 33.1 Ų | 33.1 | 57% | 0.565 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 133.8 | 170.7 | -67.5 | 178.4 | 178.9 | 174.9 | 0 | 109.3 | R252 L254 T258 | R252-K256 WeakPolarHBondContact O-CE 3.29Å; L254-K256 VanDerWaalsContact C-N 3.26Å; L254-K256 PolarHBondContact O-N 2.74Å; K256-T258 PolarHBondContact O-N 2.72Å; K256-T258 PolarHBondContact O-OG1 3.41Å; K256-T258 VanDerWaalsContact O-OG1 3.04Å |
| 257 | Q | 96.4 | Very high | 96.3 | Very high | 74 Ų | 74 | 32.8 Ų | 32.8 | 35% | 0.346 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 21.9 | -177.9 | -57 | 175.2 | -48 | 0 | 0 | 113.4 | P191 Y192 M193 S194 L255 | P191-Q257 HydrophobicContact CB-CG 3.92Å; P191-Q257 VanDerWaalsContact CB-NE2 3.32Å; P191-Q257 HydrophobicContact CG-CG 4.1Å; Y192-Q257 HydrophobicContact CE2-CB 4.11Å; Y192-Q257 PolarHBondContact OH-OE1 2.8Å; Y192-Q257 VanDerWaalsContact OH-OE1 3.14Å; M193-Q257 WeakPolarHBondContact CA-O 3.38Å; M193-Q257 VanDerWaalsContact SD-C 3.59Å; S194-Q257 PolarHBondContact N-O 2.89Å; L255-Q257 PolarHBondContact O-N 3.07Å |
| 258 | T | 97.7 | Very high | 96.3 | Very high | 21 Ų | 21 | 31.7 Ų | 31.7 | 13% | 0.129 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -126.6 | 137 | -175.9 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | M193 S194 I196 W202 G250 L255 K256 T260 | M193-T258 VanDerWaalsContact CE-O 3.31Å; M193-T258 WeakPolarHBondContact CE-O 3.35Å; S194-T258 VanDerWaalsContact O-CA 3.24Å; S194-T258 WeakPolarHBondContact O-CA 3.19Å; S194-T258 WeakPolarHBondContact O-CG2 3.39Å; I196-T258 HydrophobicContact CD1-CG2 4.47Å; I196-T258 HydrophobicContact CG1-CG2 3.58Å; W202-T258 HydrophobicContact CH2-CG2 3.83Å; W202-T258 HydrophobicContact CZ3-CG2 4.15Å; G250-T258 WeakPolarHBondContact CA-O 3.38Å; L255-T258 HydrophobicContact CB-CG2 4.36Å; L255-T258 HydrophobicContact CD2-CG2 3.88Å; L255-T258 PolarHBondContact O-N 3.21Å; K256-T258 PolarHBondContact O-N 2.72Å; K256-T258 PolarHBondContact O-OG1 3.41Å; K256-T258 VanDerWaalsContact O-OG1 3.04Å; T258-T260 PolarHBondContact O-N 3.43Å |
| 259 | W | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -56 | 125.1 | -178.5 | -58.4 | 117.6 | 0 | 0 | 0 | 112 | Y162 I176 R178 M193 S194 T195 W202 I244 D248 F262 | Y162-W259 HydrophobicContact CD1-CH2 4.26Å; Y162-W259 HydrophobicContact CD1-CZ2 4.3Å; Y162-W259 AromaticContact CE1-CH2 3.51Å; Y162-W259 HydrophobicContact CE1-CH2 3.51Å; Y162-W259 AromaticContact CE1-CZ2 3.99Å; Y162-W259 HydrophobicContact CE1-CZ2 3.99Å; Y162-W259 HydrophobicContact CE1-CZ3 4.33Å; I176-W259 PolarHBondContact O-NE1 3.25Å; R178-W259 HydrophobicContact CB-CH2 3.65Å; R178-W259 HydrophobicContact CB-CZ2 3.66Å; R178-W259 HydrophobicContact CG-CH2 4.48Å; M193-W259 HydrophobicContact CB-CD2 3.96Å; M193-W259 HydrophobicContact CB-CE3 3.9Å; M193-W259 HydrophobicContact CB-CH2 3.27Å; M193-W259 HydrophobicContact CB-CZ2 3.32Å; M193-W259 HydrophobicContact CB-CZ3 3.58Å; M193-W259 HydrophobicContact CE-CD2 4Å; M193-W259 HydrophobicContact CE-CE3 3.48Å; M193-W259 VanDerWaalsContact CE-CE3 3.48Å; M193-W259 HydrophobicContact CE-CZ3 3.91Å; M193-W259 HydrophobicContact CG-CE3 4.28Å; M193-W259 HydrophobicContact CG-CH2 3.94Å; M193-W259 HydrophobicContact CG-CZ2 4.44Å; M193-W259 HydrophobicContact CG-CZ3 3.85Å; S194-W259 PolarHBondContact O-N 3.06Å; S194-W259 VanDerWaalsContact O-N 3.08Å; T195-W259 VanDerWaalsContact N-CD1 3.34Å; W202-W259 WeakPolarHBondContact CH2-O 3.36Å; W202-W259 HydrophobicContact CZ3-CB 4.41Å; I244-W259 HydrophobicContact CD1-CD2 4.41Å; I244-W259 HydrophobicContact CD1-CH2 4.24Å; I244-W259 HydrophobicContact CD1-CZ2 3.97Å; I244-W259 HydrophobicContact CG2-CD2 4.42Å; I244-W259 HydrophobicContact CG2-CG 4.23Å; D248-W259 HydrophobicContact CB-CE3 3.9Å; D248-W259 HydrophobicContact CB-CZ3 4.1Å; W259-F262 HydrophobicContact CB-CB 3.86Å | ||
| 260 | T | 96.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -91.1 | -12.9 | 172.5 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | D248 L255 T258 S360 L363 L368 V371 | D248-T260 VanDerWaalsContact CG-OG1 3.28Å; D248-T260 PolarHBondContact OD1-N 2.9Å; D248-T260 PolarHBondContact OD1-OG1 2.04Å; D248-T260 PolarHBondContact OD2-N 2.86Å; D248-T260 PolarHBondContact OD2-OG1 3.08Å; L255-T260 HydrophobicContact CB-CG2 4.37Å; L255-T260 HydrophobicContact CD1-CG2 4.4Å; T258-T260 PolarHBondContact O-N 3.43Å; T260-S360 VanDerWaalsContact OG1-CB 3.22Å; T260-S360 WeakPolarHBondContact OG1-CB 3.27Å; T260-L363 HydrophobicContact CG2-CD1 4.38Å; T260-L368 HydrophobicContact CG2-CD2 3.47Å; T260-L368 VanDerWaalsContact CG2-CD2 3.47Å; T260-V371 VanDerWaalsContact O-CG1 3.29Å; T260-V371 WeakPolarHBondContact O-CG1 3.38Å; T260-V371 WeakPolarHBondContact O-CG2 3.39Å |
| 261 | S | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -106 | 1.8 | -176.1 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | C245 D248 L263 | C245-S261 WeakPolarHBondContact CB-OG 3.16Å; C245-S261 PolarHBondContact N-OG 2.91Å; D248-S261 WeakPolarHBondContact OD2-CB 3.25Å; D248-S261 PolarHBondContact OD2-N 2.95Å; D248-S261 PolarHBondContact OD2-OG 2.79Å; S261-L263 PolarHBondContact O-N 3.24Å |
| 262 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -67.1 | 121.8 | -178.7 | 175.3 | -98.4 | 0 | 0 | 0 | 111.5 | I176 T195 W202 L203 A242 I244 W259 K264 A375 | I176-F262 HydrophobicContact CD1-CD2 4.2Å; I176-F262 HydrophobicContact CD1-CE2 3.57Å; T195-F262 HydrophobicContact CG2-CD2 3.99Å; T195-F262 HydrophobicContact CG2-CE2 4.14Å; T195-F262 HydrophobicContact CG2-CG 4.24Å; T195-F262 HydrophobicContact CG2-CZ 4.49Å; W202-F262 HydrophobicContact CB-CE1 4.3Å; W202-F262 AromaticContact CD2-CD1 3.98Å; W202-F262 HydrophobicContact CD2-CD1 3.98Å; W202-F262 HydrophobicContact CD2-CE1 4.33Å; W202-F262 HydrophobicContact CE3-CB 4.26Å; W202-F262 AromaticContact CE3-CD1 3.41Å; W202-F262 HydrophobicContact CE3-CD1 3.41Å; W202-F262 VanDerWaalsContact CE3-CD1 3.41Å; W202-F262 AromaticContact CE3-CE1 3.96Å; W202-F262 HydrophobicContact CE3-CE1 3.96Å; W202-F262 AromaticContact CE3-CG 3.97Å; W202-F262 HydrophobicContact CE3-CG 3.97Å; W202-F262 HydrophobicContact CH2-CB 4.42Å; W202-F262 HydrophobicContact CZ3-CB 3.78Å; W202-F262 AromaticContact CZ3-CD1 3.83Å; W202-F262 HydrophobicContact CZ3-CD1 3.83Å; W202-F262 HydrophobicContact CZ3-CG 4Å; L203-F262 HydrophobicContact CD2-CZ 4.17Å; L203-F262 HydrophobicContact CG-CZ 4.5Å; A242-F262 HydrophobicContact CB-CD2 4.37Å; A242-F262 HydrophobicContact CB-CE2 3.6Å; A242-F262 HydrophobicContact CB-CZ 4.17Å; I244-F262 HydrophobicContact CG2-CB 4.04Å; I244-F262 HydrophobicContact CG2-CD2 3.83Å; I244-F262 HydrophobicContact CG2-CG 4.45Å; W259-F262 HydrophobicContact CB-CB 3.86Å; F262-K264 HydrophobicContact CZ-CB 4.28Å; F262-K264 HydrophobicContact CZ-CD 4.44Å; F262-A375 HydrophobicContact CD1-CB 4.09Å; F262-A375 HydrophobicContact CE1-CB 4.17Å | ||
| 263 | L | 98 | Very high | 94.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.9 | 170.2 | -66.7 | -179 | 0 | 0 | 0 | 110 | A242 R243 S261 F325 F330 A375 M377 | A242-L263 CarbonylContact C-O 3.46Å; A242-L263 WeakPolarHBondContact CA-O 3.01Å; A242-L263 VanDerWaalsContact CB-O 3.24Å; A242-L263 WeakPolarHBondContact CB-O 3.39Å; R243-L263 PolarHBondContact N-O 2.79Å; R243-L263 PolarHBondContact O-N 3.48Å; S261-L263 PolarHBondContact O-N 3.24Å; L263-F325 HydrophobicContact CB-CD1 3.88Å; L263-F325 HydrophobicContact CB-CE1 3.89Å; L263-F325 HydrophobicContact CD1-CD1 4.35Å; L263-F330 HydrophobicContact CD1-CE1 4.07Å; L263-F330 HydrophobicContact CD2-CD1 4.37Å; L263-F330 HydrophobicContact CD2-CE1 3.67Å; L263-A375 WeakPolarHBondContact CA-O 2.96Å; L263-M377 HydrophobicContact CB-SD 4.42Å; L263-M377 HydrophobicContact CD1-SD 3.91Å; L263-M377 HydrophobicContact CD2-SD 4.41Å |
| 264 | K | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.3 | 173 | 68.6 | 179.1 | 179 | -178.2 | 0 | 111.9 | K201 W202 F223 E225 V241 A242 F262 A375 L376 M377 | K201-K264 WeakPolarHBondContact O-CE 3.13Å; K201-K264 PolarHBondContact O-NZ 3.31Å; W202-K264 WeakPolarHBondContact O-CD 3.18Å; W202-K264 VanDerWaalsContact O-CE 3.28Å; W202-K264 WeakPolarHBondContact O-CE 3.49Å; W202-K264 PolarHBondContact O-NZ 3.37Å; F223-K264 HydrophobicContact CZ-CB 4.4Å; F223-K264 HydrophobicContact CZ-CD 4.26Å; E225-K264 VanDerWaalsContact CD-NZ 3.26Å; E225-K264 WeakPolarHBondContact OE1-CD 3.46Å; E225-K264 WeakPolarHBondContact OE1-CE 3.1Å; E225-K264 IonicContact OE1-NZ 3.74Å; E225-K264 PolarHBondContact OE1-NZ 3.41Å; E225-K264 IonicContact OE2-NZ 2.62Å; E225-K264 PolarHBondContact OE2-NZ 3.4Å; V241-K264 CarbonylContact O-C 3.27Å; V241-K264 VanDerWaalsContact O-CA 3.31Å; V241-K264 WeakPolarHBondContact O-CA 3.36Å; A242-K264 HydrophobicContact CB-CB 4.01Å; F262-K264 HydrophobicContact CZ-CB 4.28Å; F262-K264 HydrophobicContact CZ-CD 4.44Å; K264-A375 PolarHBondContact N-O 2.84Å; K264-L376 HydrophobicContact CG-CD1 4.1Å; K264-L376 WeakPolarHBondContact O-CA 3.09Å; K264-M377 WeakPolarHBondContact O-CG 3.2Å; K264-M377 PolarHBondContact O-N 2.63Å |
| 265 | T | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.7 | 171.5 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | R240 V241 V324 F325 K379 I381 | R240-T265 VanDerWaalsContact CA-O 3.25Å; R240-T265 WeakPolarHBondContact CA-O 3.47Å; R240-T265 WeakPolarHBondContact CD-O 3.23Å; V241-T265 PolarHBondContact N-O 2.88Å; V241-T265 PolarHBondContact O-N 3.21Å; T265-V324 HydrophobicContact CG2-CG1 4.1Å; T265-F325 HydrophobicContact CG2-CE1 4.11Å; T265-F325 HydrophobicContact CG2-CE2 4.41Å; T265-F325 HydrophobicContact CG2-CZ 3.91Å; T265-K379 PolarHBondContact OG1-O 2.63Å; T265-I381 HydrophobicContact CG2-CD1 3.33Å; T265-I381 HydrophobicContact CG2-CG1 3.79Å |
| 266 | R | 97.4 | Very high | 93.8 | Very high | 41 Ų | 41 | 42 Ų | 42 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.8 | 172.1 | -173.1 | 175.9 | 177.9 | -156.4 | 0 | 109.7 | S239 Y278 N280 S380 I381 | S239-R266 WeakPolarHBondContact O-CA 3.09Å; R266-Y278 VanDerWaalsContact NH2-CD1 3.27Å; R266-N280 PolarHBondContact NH2-OD1 2.81Å; R266-S380 CarbonylContact O-C 3.55Å; R266-S380 WeakPolarHBondContact O-CA 3.34Å; R266-S380 WeakPolarHBondContact O-CB 3.45Å; R266-I381 PolarHBondContact O-N 3.28Å |
| 267 | I | 97.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -110.2 | 125.7 | 166.5 | -171.9 | 165.3 | 0 | 0 | 0 | 108.5 | F222 S239 V241 F301 Y316 I381 | F222-I267 HydrophobicContact CD1-CD1 4.49Å; F222-I267 HydrophobicContact CE1-CD1 4.08Å; S239-I267 PolarHBondContact O-N 2.89Å; V241-I267 HydrophobicContact CG2-CB 4.03Å; V241-I267 HydrophobicContact CG2-CD1 3.64Å; V241-I267 HydrophobicContact CG2-CG1 4.42Å; V241-I267 HydrophobicContact CG2-CG2 4.18Å; I267-F301 HydrophobicContact CG2-CE1 4.33Å; I267-F301 HydrophobicContact CG2-CZ 4.49Å; I267-Y316 HydrophobicContact CD1-CD1 3.82Å; I267-Y316 HydrophobicContact CD1-CD2 3.6Å; I267-Y316 HydrophobicContact CD1-CE1 3.77Å; I267-Y316 HydrophobicContact CD1-CE2 3.56Å; I267-Y316 HydrophobicContact CD1-CG 3.7Å; I267-Y316 HydrophobicContact CG1-CD1 3.87Å; I267-Y316 HydrophobicContact CG1-CD2 4.3Å; I267-Y316 HydrophobicContact CG1-CE1 3.38Å; I267-Y316 HydrophobicContact CG1-CE2 3.88Å; I267-Y316 HydrophobicContact CG1-CG 4.27Å; I267-I381 HydrophobicContact CB-CB 4.46Å; I267-I381 HydrophobicContact CG1-CB 4.21Å; I267-I381 HydrophobicContact CG1-CG2 4.37Å |
| 268 | N | 95.5 | Very high | 93.4 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | trans | -108.3 | 129.7 | -169.9 | -177 | 37.2 | 0 | 0 | 0 | 111.4 | S270 Y278 Y316 I381 P383 | N268-S270 PolarHBondContact ND2-OG 2.82Å; N268-Y278 VanDerWaalsContact OD1-CD1 3.25Å; N268-Y278 WeakPolarHBondContact OD1-CD1 3.38Å; N268-Y278 WeakPolarHBondContact OD1-CE1 3.46Å; N268-Y316 PolarHBondContact O-OH 3.18Å; N268-I381 PolarHBondContact N-O 2.82Å; N268-P383 WeakPolarHBondContact O-CD 3.39Å | ||
| 269 | C | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | trans | -126.5 | 109.6 | 165.9 | -167.3 | 0 | 0 | 0 | 0 | 108.1 | F279 F301 C314 | C269-F279 PolarHBondContact O-N 3.06Å; C269-F301 HydrophobicContact CB-CB 4.35Å; C269-F301 HydrophobicContact CB-CD1 4.06Å; C269-F301 HydrophobicContact CB-CD2 3.51Å; C269-F301 HydrophobicContact CB-CE1 4.22Å; C269-F301 HydrophobicContact CB-CE2 3.73Å; C269-F301 HydrophobicContact CB-CG 3.71Å; C269-F301 HydrophobicContact CB-CZ 4.1Å; C269-C314 WeakPolarHBondContact CA-SG 3.12Å; C269-C314 HydrophobicContact CB-CB 3.86Å; C269-C314 WeakPolarHBondContact CB-SG 3.37Å; C269-C314 WeakPolarHBondContact SG-CB 3.42Å; C269-C314 CovalentContact SG-SG 2.04Å; C269-C314 PolarHBondContact SG-SG 3.4Å | ||
| 270 | S | 93.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 150.1 | -174.2 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | N268 F277 G393 P394 | N268-S270 PolarHBondContact ND2-OG 2.82Å; S270-F277 CarbonylContact C-O 3.54Å; S270-F277 WeakPolarHBondContact CA-O 3.31Å; S270-F277 WeakPolarHBondContact CB-O 3.4Å; S270-G393 WeakPolarHBondContact O-CA 3.31Å; S270-P394 VanDerWaalsContact O-CD 3.29Å; S270-P394 WeakPolarHBondContact O-CD 3.25Å |
| 271 | L | 90.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.1 | 165.5 | -60.7 | 169.3 | 0 | 0 | 0 | 108.9 | P276 F277 F279 P394 Y397 | L271-P276 WeakPolarHBondContact O-CA 3.29Å; L271-F277 HydrophobicContact CB-CB 4.22Å; L271-F277 HydrophobicContact CD1-CB 4.34Å; L271-F277 HydrophobicContact CD1-CD1 4.37Å; L271-F277 PolarHBondContact N-O 2.88Å; L271-F277 PolarHBondContact O-N 3.11Å; L271-F279 HydrophobicContact CD1-CE2 4.35Å; L271-F279 HydrophobicContact CG-CE2 4.11Å; L271-P394 HydrophobicContact CD2-CG 3.61Å; L271-P394 HydrophobicContact CG-CG 4.44Å; L271-Y397 HydrophobicContact CD1-CD2 4.27Å; L271-Y397 HydrophobicContact CD1-CE2 4.19Å; L271-Y397 HydrophobicContact CD2-CD1 3.78Å; L271-Y397 HydrophobicContact CD2-CD2 4.47Å; L271-Y397 HydrophobicContact CD2-CE1 3.78Å; L271-Y397 HydrophobicContact CD2-CE2 4.48Å; L271-Y397 HydrophobicContact CD2-CG 4.14Å |
| 272 | S | 84.9 | Confident | 93.3 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | trans | -67.6 | 148.8 | 174.7 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | V392 | S272-V392 PolarHBondContact OG-O 2.99Š| ||
| 273 | G | 82 | Confident | 93.3 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 51% | 0.505 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 162.3 | 173.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F275 | G273-F275 PolarHBondContact O-N 3.49Š|
| 274 | D | 83.5 | Confident | 93.4 | Very high | 159 Ų | 159 | 45.4 Ų | 45.4 | 85% | 0.85 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -57.3 | -31.8 | 176.1 | -65.6 | -26.5 | 0 | 0 | 0 | 111.9 | ||
| 275 | F | 86.6 | Confident | 93.4 | Very high | 194 Ų | 194 | 45.8 Ų | 45.8 | 85% | 0.851 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -124 | 95.7 | 170.6 | -57.6 | -80.1 | 0 | 0 | 0 | 108.9 | G273 F277 | G273-F275 PolarHBondContact O-N 3.49Å; F275-F277 PolarHBondContact O-N 3.03Å |
| 276 | P | 88.9 | Confident | 93.3 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 34% | 0.338 | 25% | 0.251 | S | S | . | . | trans | -61 | 134.9 | -176.4 | -23.7 | 33 | 0 | 0 | 0 | 112.1 | L271 Y278 | L271-P276 WeakPolarHBondContact O-CA 3.29Å; P276-Y278 HydrophobicContact CB-CE1 4.37Å; P276-Y278 HydrophobicContact CB-CE2 3.83Å; P276-Y278 VanDerWaalsContact O-CD2 3.26Å; P276-Y278 WeakPolarHBondContact O-CD2 3.27Å; P276-Y278 WeakPolarHBondContact O-CE2 3.39Å | ||
| 277 | F | 91.6 | Very high | 93.2 | Very high | 95 Ų | 95 | 49 Ų | 49 | 42% | 0.417 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.7 | 175.5 | -173 | -87.7 | 0 | 0 | 0 | 109.7 | S270 L271 F275 F279 T303 | S270-F277 CarbonylContact C-O 3.54Å; S270-F277 WeakPolarHBondContact CA-O 3.31Å; S270-F277 WeakPolarHBondContact CB-O 3.4Å; L271-F277 HydrophobicContact CB-CB 4.22Å; L271-F277 HydrophobicContact CD1-CB 4.34Å; L271-F277 HydrophobicContact CD1-CD1 4.37Å; L271-F277 PolarHBondContact N-O 2.88Å; L271-F277 PolarHBondContact O-N 3.11Å; F275-F277 PolarHBondContact O-N 3.03Å; F277-F279 HydrophobicContact CD1-CD2 4.34Å; F277-F279 HydrophobicContact CD1-CE1 4.34Å; F277-F279 AromaticContact CD1-CE2 3.76Å; F277-F279 HydrophobicContact CD1-CE2 3.76Å; F277-F279 AromaticContact CD1-CZ 3.75Å; F277-F279 HydrophobicContact CD1-CZ 3.75Å; F277-F279 HydrophobicContact CE1-CD1 4.39Å; F277-F279 AromaticContact CE1-CE1 3.82Å; F277-F279 HydrophobicContact CE1-CE1 3.82Å; F277-F279 HydrophobicContact CE1-CE2 4.08Å; F277-F279 AromaticContact CE1-CZ 3.64Å; F277-F279 HydrophobicContact CE1-CZ 3.64Å; F277-T303 HydrophobicContact CE1-CG2 3.53Å; F277-T303 HydrophobicContact CZ-CG2 3.64Å |
| 278 | Y | 93.1 | Very high | 93 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 35% | 0.349 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.5 | -171.2 | -66.2 | -82.4 | 0 | 0 | 0 | 113.3 | R266 N268 P276 | R266-Y278 VanDerWaalsContact NH2-CD1 3.27Å; N268-Y278 VanDerWaalsContact OD1-CD1 3.25Å; N268-Y278 WeakPolarHBondContact OD1-CD1 3.38Å; N268-Y278 WeakPolarHBondContact OD1-CE1 3.46Å; P276-Y278 HydrophobicContact CB-CE1 4.37Å; P276-Y278 HydrophobicContact CB-CE2 3.83Å; P276-Y278 VanDerWaalsContact O-CD2 3.26Å; P276-Y278 WeakPolarHBondContact O-CD2 3.27Å; P276-Y278 WeakPolarHBondContact O-CE2 3.39Å |
| 279 | F | 96.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 53.8 Ų | 53.8 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | -99.6 | 87.3 | 165 | -57.1 | -93.8 | 0 | 0 | 0 | 107.8 | C269 L271 F277 F301 T302 T303 A312 | C269-F279 PolarHBondContact O-N 3.06Å; L271-F279 HydrophobicContact CD1-CE2 4.35Å; L271-F279 HydrophobicContact CG-CE2 4.11Å; F277-F279 HydrophobicContact CD1-CD2 4.34Å; F277-F279 HydrophobicContact CD1-CE1 4.34Å; F277-F279 AromaticContact CD1-CE2 3.76Å; F277-F279 HydrophobicContact CD1-CE2 3.76Å; F277-F279 AromaticContact CD1-CZ 3.75Å; F277-F279 HydrophobicContact CD1-CZ 3.75Å; F277-F279 HydrophobicContact CE1-CD1 4.39Å; F277-F279 AromaticContact CE1-CE1 3.82Å; F277-F279 HydrophobicContact CE1-CE1 3.82Å; F277-F279 HydrophobicContact CE1-CE2 4.08Å; F277-F279 AromaticContact CE1-CZ 3.64Å; F277-F279 HydrophobicContact CE1-CZ 3.64Å; F279-F301 HydrophobicContact CB-CB 3.48Å; F279-F301 VanDerWaalsContact CB-CB 3.48Å; F279-F301 HydrophobicContact CB-CG 4.47Å; F279-F301 WeakPolarHBondContact O-CB 3.41Å; F279-F301 VanDerWaalsContact O-CD1 3.29Å; F279-F301 WeakPolarHBondContact O-CD1 3.34Å; F279-T302 CarbonylContact C-O 3.57Å; F279-T303 HydrophobicContact CD1-CG2 3.81Å; F279-T303 HydrophobicContact CE1-CG2 4.03Å; F279-A312 HydrophobicContact CB-CB 4.18Å; F279-A312 HydrophobicContact CD1-CB 3.74Å; F279-A312 HydrophobicContact CD2-CB 3.44Å; F279-A312 VanDerWaalsContact CD2-CB 3.44Å; F279-A312 HydrophobicContact CE1-CB 3.9Å; F279-A312 HydrophobicContact CE2-CB 3.61Å; F279-A312 HydrophobicContact CG-CB 3.51Å; F279-A312 HydrophobicContact CZ-CB 3.84Å | ||
| 280 | N | 95.3 | Very high | 91.9 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | trans | -85.1 | -12.1 | -167.3 | -80.4 | -37.7 | 0 | 0 | 0 | 114.4 | V237 S239 R266 T302 | V237-N280 VanDerWaalsContact O-CB 3.26Å; V237-N280 WeakPolarHBondContact O-CB 3.33Å; S239-N280 PolarHBondContact N-O 2.63Å; S239-N280 VanDerWaalsContact N-O 3.12Å; S239-N280 PolarHBondContact OG-O 3.2Å; R266-N280 PolarHBondContact NH2-OD1 2.81Å; N280-T302 PolarHBondContact N-O 2.88Å | ||
| 281 | E | 96.6 | Very high | 91.1 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 92.1 | -172.1 | -63.5 | -170.1 | -147.5 | 0 | 0 | 111.8 | R224 V237 Q283 F301 T302 N304 | R224-E281 IonicContact NE-OE2 3.98Å; V237-E281 HydrophobicContact CB-CG 4.28Å; V237-E281 HydrophobicContact CG1-CG 3.93Å; E281-Q283 PolarHBondContact O-N 2.87Å; E281-Q283 PolarHBondContact O-NE2 3.37Å; E281-F301 CarbonylContact O-C 3.1Å; E281-F301 VanDerWaalsContact O-CA 3.29Å; E281-F301 WeakPolarHBondContact O-CA 3.44Å; E281-T302 WeakPolarHBondContact CB-OG1 3.26Å; E281-T302 PolarHBondContact N-O 3.44Å; E281-T302 PolarHBondContact O-N 3.19Å; E281-T302 PolarHBondContact O-OG1 3.03Å; E281-N304 WeakPolarHBondContact OE1-CA 3.4Å |
| 282 | I | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 129.2 | 173.8 | -163.8 | 169.3 | 0 | 0 | 0 | 110.4 | I209 F222 R224 S239 V285 A299 T300 F301 | I209-I282 HydrophobicContact CG1-CG2 4.04Å; F222-I282 HydrophobicContact CB-CD1 4.37Å; F222-I282 HydrophobicContact CD1-CD1 4.12Å; R224-I282 HydrophobicContact CB-CG2 4.18Å; R224-I282 PolarHBondContact NH1-O 2.53Å; S239-I282 VanDerWaalsContact OG-CB 3.27Å; S239-I282 WeakPolarHBondContact OG-CB 3.26Å; S239-I282 WeakPolarHBondContact OG-CG2 3.11Å; S239-I282 PolarHBondContact OG-N 2.91Å; I282-V285 HydrophobicContact CD1-CG2 3.49Å; I282-V285 VanDerWaalsContact CD1-CG2 3.49Å; I282-V285 HydrophobicContact CG1-CG2 4.05Å; I282-A299 HydrophobicContact CD1-CB 3.89Å; I282-A299 HydrophobicContact CG1-CB 4.16Å; I282-T300 CarbonylContact C-O 3.5Å; I282-T300 WeakPolarHBondContact CA-O 3.47Å; I282-F301 HydrophobicContact CB-CD1 3.76Å; I282-F301 HydrophobicContact CB-CE1 3.63Å; I282-F301 HydrophobicContact CB-CZ 4.31Å; I282-F301 HydrophobicContact CD1-CE1 3.93Å; I282-F301 HydrophobicContact CD1-CZ 3.84Å; I282-F301 HydrophobicContact CG1-CD1 4.19Å; I282-F301 HydrophobicContact CG1-CE1 3.82Å; I282-F301 HydrophobicContact CG1-CZ 3.98Å |
| 283 | Q | 97.9 | Very high | 90.4 | Very high | 32 Ų | 32 | 66 Ų | 66 | 15% | 0.15 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -28.6 | -178.2 | -56.5 | -57.8 | -25.4 | 0 | 0 | 113.4 | I209 E281 T300 T302 | I209-Q283 VanDerWaalsContact CG2-O 3.31Å; I209-Q283 WeakPolarHBondContact CG2-O 3.29Å; E281-Q283 PolarHBondContact O-N 2.87Å; E281-Q283 PolarHBondContact O-NE2 3.37Å; Q283-T300 HydrophobicContact CB-CG2 4.15Å; Q283-T300 PolarHBondContact N-O 3.42Å; Q283-T302 HydrophobicContact CG-CG2 3.57Å; Q283-T302 PolarHBondContact NE2-OG1 2.98Å |
| 284 | D | 98.5 | Very high | 90.8 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 10% | 0.102 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 157.1 | 176.9 | -156 | 35.6 | 0 | 0 | 0 | 111.9 | A299 T300 T404 K405 L406 | D284-A299 VanDerWaalsContact O-CA 3.26Å; D284-A299 WeakPolarHBondContact O-CA 3.1Å; D284-T300 HydrophobicContact CB-CG2 3.78Å; D284-T300 PolarHBondContact O-N 3.46Å; D284-T300 VanDerWaalsContact O-N 3.08Å; D284-T404 WeakPolarHBondContact CB-O 3.45Å; D284-K405 HydrophobicContact CB-CD 4.44Å; D284-K405 IonicContact OD1-NZ 2.8Å; D284-K405 PolarHBondContact OD1-NZ 2.82Å; D284-K405 VanDerWaalsContact OD2-CA 3.31Å; D284-K405 WeakPolarHBondContact OD2-CA 3.31Å; D284-L406 PolarHBondContact OD2-N 3.46Å |
| 285 | V | 98.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 127.7 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 109.4 | A210 F212 F222 I282 F297 Y298 A299 | A210-V285 HydrophobicContact CB-CB 3.87Å; A210-V285 HydrophobicContact CB-CG2 4.24Å; F212-V285 HydrophobicContact CE2-CB 4.07Å; F212-V285 HydrophobicContact CE2-CG1 3.78Å; F212-V285 HydrophobicContact CZ-CB 4.25Å; F212-V285 HydrophobicContact CZ-CG1 4.13Å; F212-V285 WeakPolarHBondContact CZ-O 3.26Å; F222-V285 HydrophobicContact CB-CG2 3.74Å; F222-V285 HydrophobicContact CD1-CG1 4.22Å; F222-V285 HydrophobicContact CD1-CG2 3.79Å; F222-V285 HydrophobicContact CD2-CG1 4.45Å; F222-V285 HydrophobicContact CE1-CG1 4.23Å; F222-V285 HydrophobicContact CE2-CG1 4.48Å; F222-V285 HydrophobicContact CG-CB 4.42Å; F222-V285 HydrophobicContact CG-CG1 4.33Å; F222-V285 HydrophobicContact CG-CG2 3.79Å; F222-V285 HydrophobicContact CZ-CG1 4.37Å; I282-V285 HydrophobicContact CD1-CG2 3.49Å; I282-V285 VanDerWaalsContact CD1-CG2 3.49Å; I282-V285 HydrophobicContact CG1-CG2 4.05Å; V285-F297 HydrophobicContact CG1-CB 3.92Å; V285-F297 HydrophobicContact CG1-CD1 3.99Å; V285-F297 HydrophobicContact CG1-CG 4.41Å; V285-Y298 CarbonylContact C-O 3.58Å; V285-Y298 WeakPolarHBondContact CA-O 3.28Å; V285-A299 HydrophobicContact CG1-CB 4.44Å; V285-A299 HydrophobicContact CG2-CB 3.97Å |
| 286 | Y | 97.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 21% | 0.212 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.3 | 174.6 | -162.2 | -92.2 | 0 | 0 | 0 | 109.8 | V288 Y298 L406 A407 V408 | Y286-V288 HydrophobicContact CD1-CG2 3.69Å; Y286-V288 HydrophobicContact CE1-CG2 4.02Å; Y286-Y298 PolarHBondContact N-O 3.17Å; Y286-Y298 PolarHBondContact O-N 2.9Å; Y286-L406 WeakPolarHBondContact CD2-O 3.44Å; Y286-A407 HydrophobicContact CD2-CB 4.46Å; Y286-A407 HydrophobicContact CE2-CB 4.13Å; Y286-V408 HydrophobicContact CD1-CB 3.77Å; Y286-V408 HydrophobicContact CD1-CG2 3.86Å; Y286-V408 HydrophobicContact CE1-CB 4.08Å; Y286-V408 HydrophobicContact CG-CG2 4.32Å |
| 287 | M | 95.3 | Very high | 92 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 26% | 0.261 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 129.4 | 179.3 | -178.3 | -175.2 | 66.1 | 0 | 0 | 110.2 | F212 V214 T295 F296 F297 | F212-M287 HydrophobicContact CB-SD 4.15Å; F212-M287 HydrophobicContact CD1-CB 3.72Å; F212-M287 HydrophobicContact CD1-CE 4.11Å; F212-M287 HydrophobicContact CD1-CG 4.4Å; F212-M287 HydrophobicContact CD1-SD 3.94Å; F212-M287 HydrophobicContact CE1-CB 3.54Å; F212-M287 HydrophobicContact CG-CB 4.36Å; F212-M287 HydrophobicContact CG-SD 4.18Å; F212-M287 HydrophobicContact CZ-CB 4.03Å; V214-M287 HydrophobicContact CG1-SD 3.98Å; M287-T295 HydrophobicContact CG-CG2 3.68Å; M287-T295 HydrophobicContact SD-CG2 3.89Å; M287-F296 WeakPolarHBondContact CA-O 3.3Å; M287-F297 HydrophobicContact CB-CD1 4.11Å; M287-F297 HydrophobicContact CB-CE1 4.05Å; M287-F297 HydrophobicContact CG-CD1 4.22Å; M287-F297 HydrophobicContact CG-CE1 3.83Å; M287-F297 HydrophobicContact CG-CZ 4.5Å; M287-F297 HydrophobicContact SD-CE1 4.15Å |
| 288 | V | 91.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.4 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | Y286 T295 F296 Y298 V408 L410 | Y286-V288 HydrophobicContact CD1-CG2 3.69Å; Y286-V288 HydrophobicContact CE1-CG2 4.02Å; V288-T295 WeakPolarHBondContact O-CA 3.21Å; V288-F296 PolarHBondContact N-O 2.65Å; V288-F296 PolarHBondContact O-N 2.92Å; V288-Y298 HydrophobicContact CB-CD2 4.34Å; V288-Y298 HydrophobicContact CB-CE2 4.04Å; V288-Y298 HydrophobicContact CG2-CD2 3.74Å; V288-Y298 HydrophobicContact CG2-CE2 3.74Å; V288-V408 HydrophobicContact CG2-CB 3.76Å; V288-V408 HydrophobicContact CG2-CG1 3.96Å; V288-V408 HydrophobicContact CG2-CG2 4.39Å; V288-L410 HydrophobicContact CG1-CD1 3.26Å; V288-L410 HydrophobicContact CG1-CD2 4.17Å; V288-L410 HydrophobicContact CG1-CG 3.67Å |
| 289 | K | 88.1 | Confident | 92.5 | Very high | 114 Ų | 114 | 42.1 Ų | 42.1 | 50% | 0.496 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.2 | 169.4 | -66.1 | -174.3 | -179.5 | -179.8 | 0 | 108.9 | E294 T295 | K289-E294 WeakPolarHBondContact CA-O 3.33Å; K289-T295 HydrophobicContact CG-CG2 4.47Å |
| 290 | N | 81.3 | Confident | 92.6 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 10% | 0.096 | 21% | 0.21 | C | C | . | . | trans | -83.5 | 172.5 | -179.8 | -161.9 | 10.6 | 0 | 0 | 0 | 112 | N292 H293 E294 F296 L410 M417 | N290-N292 PolarHBondContact O-N 3.25Å; N290-N292 VanDerWaalsContact O-N 3.14Å; N290-H293 WeakPolarHBondContact O-CA 3.41Å; N290-H293 PolarHBondContact O-N 2.91Å; N290-E294 PolarHBondContact N-O 3.43Å; N290-F296 HydrophobicContact CB-CE2 4.25Å; N290-L410 HydrophobicContact CB-CD1 4.46Å; N290-M417 WeakPolarHBondContact ND2-CE 3.41Å; N290-M417 PolarHBondContact ND2-SD 3.02Å; N290-M417 PolarHBondContact OD1-SD 2.83Å | ||
| 291 | S | 76.3 | Confident | 92.8 | Very high | 88 Ų | 88 | 39.9 Ų | 39.9 | 62% | 0.615 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.1 | 177.2 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | H293 | S291-H293 PolarHBondContact O-N 3.24Š|
| 292 | N | 79.4 | Confident | 92.8 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 60% | 0.604 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 12.1 | 177.3 | -61.8 | -8.4 | 0 | 0 | 0 | 112.9 | N290 E294 | N290-N292 PolarHBondContact O-N 3.25Å; N290-N292 VanDerWaalsContact O-N 3.14Å; N292-E294 HydrophobicContact CB-CG 4.37Å; N292-E294 PolarHBondContact O-N 3.04Å |
| 293 | H | 82.1 | Confident | 92.7 | Very high | 163 Ų | 163 | 39.2 Ų | 39.2 | 76% | 0.755 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 61 | 8.1 | -173.6 | -61.8 | -92.5 | 0 | 0 | 0 | 115.4 | N290 S291 | N290-H293 WeakPolarHBondContact O-CA 3.41Å; N290-H293 PolarHBondContact O-N 2.91Å; S291-H293 PolarHBondContact O-N 3.24Å |
| 294 | E | 89.5 | Confident | 92.2 | Very high | 103 Ų | 103 | 42.1 Ų | 42.1 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | trans | -67.1 | 139.4 | 169.7 | -66.8 | -179.1 | 155.3 | 0 | 0 | 110.5 | K289 N290 N292 F296 | K289-E294 WeakPolarHBondContact CA-O 3.33Å; N290-E294 PolarHBondContact N-O 3.43Å; N292-E294 HydrophobicContact CB-CG 4.37Å; N292-E294 PolarHBondContact O-N 3.04Å; E294-F296 HydrophobicContact CB-CD2 4.5Å; E294-F296 HydrophobicContact CB-CE2 3.68Å; E294-F296 HydrophobicContact CB-CZ 4.09Å | ||
| 295 | T | 93.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.6 | -177 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | V214 M287 V288 K289 F297 L318 | V214-T295 HydrophobicContact CG1-CG2 4.43Å; M287-T295 HydrophobicContact CG-CG2 3.68Å; M287-T295 HydrophobicContact SD-CG2 3.89Å; V288-T295 WeakPolarHBondContact O-CA 3.21Å; K289-T295 HydrophobicContact CG-CG2 4.47Å; T295-F297 HydrophobicContact CG2-CE2 4.25Å; T295-F297 HydrophobicContact CG2-CZ 4.05Å; T295-L318 HydrophobicContact CG2-CB 4.38Å; T295-L318 HydrophobicContact CG2-CD2 4.38Å; T295-L318 WeakPolarHBondContact O-CB 3.36Å; T295-L318 PolarHBondContact O-N 3.09Å |
| 296 | F | 94.5 | Very high | 90.9 | Very high | 19 Ų | 19 | 52.9 Ų | 52.9 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147 | 179.4 | -63 | -81.7 | 0 | 0 | 0 | 110.4 | M287 V288 N290 E294 Y298 I315 Y316 I384 | M287-F296 WeakPolarHBondContact CA-O 3.3Å; V288-F296 PolarHBondContact N-O 2.65Å; V288-F296 PolarHBondContact O-N 2.92Å; N290-F296 HydrophobicContact CB-CE2 4.25Å; E294-F296 HydrophobicContact CB-CD2 4.5Å; E294-F296 HydrophobicContact CB-CE2 3.68Å; E294-F296 HydrophobicContact CB-CZ 4.09Å; F296-Y298 HydrophobicContact CB-CE2 4.14Å; F296-I315 HydrophobicContact CB-CG2 4.25Å; F296-I315 HydrophobicContact CD1-CG2 4.29Å; F296-Y316 CarbonylContact C-O 3.52Å; F296-Y316 VanDerWaalsContact CA-O 3.31Å; F296-Y316 WeakPolarHBondContact CA-O 3.47Å; F296-I384 HydrophobicContact CD1-CD1 3.5Å; F296-I384 VanDerWaalsContact CD1-CD1 3.5Å; F296-I384 HydrophobicContact CE1-CD1 3.47Å; F296-I384 VanDerWaalsContact CE1-CD1 3.47Å |
| 297 | F | 97 | Very high | 90 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 114.3 | 175.7 | -59.9 | -81.7 | 0 | 0 | 0 | 108.9 | F212 V214 F222 V285 M287 T295 I315 Y316 L318 I321 | F212-F297 HydrophobicContact CB-CE1 4.38Å; F212-F297 HydrophobicContact CD2-CD1 4.14Å; F212-F297 AromaticContact CD2-CE1 3.68Å; F212-F297 HydrophobicContact CD2-CE1 3.68Å; F212-F297 HydrophobicContact CE2-CD1 4.1Å; F212-F297 HydrophobicContact CE2-CE1 4.1Å; F212-F297 HydrophobicContact CG-CE1 4.02Å; V214-F297 HydrophobicContact CG1-CZ 3.98Å; F222-F297 HydrophobicContact CE1-CB 4.43Å; F222-F297 HydrophobicContact CE1-CG 4.38Å; F222-F297 AromaticContact CE2-CD1 3.93Å; F222-F297 HydrophobicContact CE2-CD1 3.93Å; F222-F297 AromaticContact CE2-CE1 3.92Å; F222-F297 HydrophobicContact CE2-CE1 3.92Å; F222-F297 HydrophobicContact CE2-CG 4.42Å; F222-F297 HydrophobicContact CE2-CZ 4.4Å; F222-F297 HydrophobicContact CZ-CB 4.22Å; F222-F297 AromaticContact CZ-CD1 3.67Å; F222-F297 HydrophobicContact CZ-CD1 3.67Å; F222-F297 HydrophobicContact CZ-CD2 4.05Å; F222-F297 AromaticContact CZ-CE1 3.97Å; F222-F297 HydrophobicContact CZ-CE1 3.97Å; F222-F297 HydrophobicContact CZ-CE2 4.32Å; F222-F297 AromaticContact CZ-CG 3.7Å; F222-F297 HydrophobicContact CZ-CG 3.7Å; F222-F297 HydrophobicContact CZ-CZ 4.27Å; V285-F297 HydrophobicContact CG1-CB 3.92Å; V285-F297 HydrophobicContact CG1-CD1 3.99Å; V285-F297 HydrophobicContact CG1-CG 4.41Å; M287-F297 HydrophobicContact CB-CD1 4.11Å; M287-F297 HydrophobicContact CB-CE1 4.05Å; M287-F297 HydrophobicContact CG-CD1 4.22Å; M287-F297 HydrophobicContact CG-CE1 3.83Å; M287-F297 HydrophobicContact CG-CZ 4.5Å; M287-F297 HydrophobicContact SD-CE1 4.15Å; T295-F297 HydrophobicContact CG2-CE2 4.25Å; T295-F297 HydrophobicContact CG2-CZ 4.05Å; F297-I315 WeakPolarHBondContact O-CA 3.5Å; F297-Y316 PolarHBondContact N-O 3.21Å; F297-Y316 PolarHBondContact O-N 2.79Å; F297-L318 HydrophobicContact CE2-CB 4.01Å; F297-L318 HydrophobicContact CE2-CD1 4.02Å; F297-L318 HydrophobicContact CZ-CD1 4.36Å; F297-I321 HydrophobicContact CD2-CD1 3.55Å; F297-I321 HydrophobicContact CE2-CD1 3.69Å |
| 298 | Y | 97.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.5 | 171.2 | -70 | -108.3 | 0 | 0 | 0 | 107.1 | V285 Y286 V288 F296 I315 V408 I421 Y442 | V285-Y298 CarbonylContact C-O 3.58Å; V285-Y298 WeakPolarHBondContact CA-O 3.28Å; Y286-Y298 PolarHBondContact N-O 3.17Å; Y286-Y298 PolarHBondContact O-N 2.9Å; V288-Y298 HydrophobicContact CB-CD2 4.34Å; V288-Y298 HydrophobicContact CB-CE2 4.04Å; V288-Y298 HydrophobicContact CG2-CD2 3.74Å; V288-Y298 HydrophobicContact CG2-CE2 3.74Å; F296-Y298 HydrophobicContact CB-CE2 4.14Å; Y298-I315 HydrophobicContact CD1-CD1 3.9Å; Y298-I315 HydrophobicContact CD1-CG1 3.68Å; Y298-I315 HydrophobicContact CD2-CG2 4.46Å; Y298-I315 HydrophobicContact CE1-CD1 3.31Å; Y298-I315 HydrophobicContact CE1-CG1 3.65Å; Y298-I315 HydrophobicContact CE1-CG2 4.41Å; Y298-I315 HydrophobicContact CE2-CG2 4.25Å; Y298-I315 HydrophobicContact CG-CG1 4.34Å; Y298-V408 HydrophobicContact CD1-CG1 4.44Å; Y298-V408 HydrophobicContact CD1-CG2 3.97Å; Y298-V408 HydrophobicContact CD2-CG1 4.38Å; Y298-V408 HydrophobicContact CD2-CG2 4.06Å; Y298-V408 HydrophobicContact CE1-CG1 4.17Å; Y298-V408 HydrophobicContact CE2-CG1 4.13Å; Y298-V408 HydrophobicContact CG-CG2 3.72Å; Y298-I421 HydrophobicContact CD1-CD1 3.81Å; Y298-I421 HydrophobicContact CD1-CG1 3.88Å; Y298-I421 HydrophobicContact CE1-CD1 3.89Å; Y298-I421 HydrophobicContact CE1-CG1 4Å; Y298-Y442 PolarHBondContact OH-OH 2.97Å |
| 299 | A | 98.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I282 D284 V285 F301 I313 C314 Y316 | I282-A299 HydrophobicContact CD1-CB 3.89Å; I282-A299 HydrophobicContact CG1-CB 4.16Å; D284-A299 VanDerWaalsContact O-CA 3.26Å; D284-A299 WeakPolarHBondContact O-CA 3.1Å; V285-A299 HydrophobicContact CG1-CB 4.44Å; V285-A299 HydrophobicContact CG2-CB 3.97Å; A299-F301 HydrophobicContact CB-CD2 4.38Å; A299-F301 HydrophobicContact CB-CE2 3.48Å; A299-F301 VanDerWaalsContact CB-CE2 3.48Å; A299-F301 HydrophobicContact CB-CZ 3.83Å; A299-F301 WeakPolarHBondContact O-CD2 3.47Å; A299-F301 WeakPolarHBondContact O-CE2 3.44Å; A299-I313 WeakPolarHBondContact O-CA 3.31Å; A299-C314 PolarHBondContact N-O 3.39Å; A299-C314 PolarHBondContact O-N 3.43Å; A299-Y316 HydrophobicContact CB-CE2 4.14Å |
| 300 | T | 98.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137.6 | 173.8 | -178 | 0 | 0 | 0 | 0 | 109.7 | I282 Q283 D284 A312 L403 L406 | I282-T300 CarbonylContact C-O 3.5Å; I282-T300 WeakPolarHBondContact CA-O 3.47Å; Q283-T300 HydrophobicContact CB-CG2 4.15Å; Q283-T300 PolarHBondContact N-O 3.42Å; D284-T300 HydrophobicContact CB-CG2 3.78Å; D284-T300 PolarHBondContact O-N 3.46Å; D284-T300 VanDerWaalsContact O-N 3.08Å; T300-A312 CarbonylContact C-O 3.32Å; T300-A312 WeakPolarHBondContact CA-O 3.38Å; T300-L403 HydrophobicContact CG2-CB 4.48Å; T300-L403 WeakPolarHBondContact OG1-CB 3.48Å; T300-L406 HydrophobicContact CG2-CD1 4.02Å; T300-L406 HydrophobicContact CG2-CD2 4.27Å; T300-L406 HydrophobicContact CG2-CG 3.83Å |
| 301 | F | 98.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 151.6 | -177.1 | -60.4 | -102 | 0 | 0 | 0 | 109.5 | I267 C269 F279 E281 I282 A299 S311 A312 C314 Y316 | I267-F301 HydrophobicContact CG2-CE1 4.33Å; I267-F301 HydrophobicContact CG2-CZ 4.49Å; C269-F301 HydrophobicContact CB-CB 4.35Å; C269-F301 HydrophobicContact CB-CD1 4.06Å; C269-F301 HydrophobicContact CB-CD2 3.51Å; C269-F301 HydrophobicContact CB-CE1 4.22Å; C269-F301 HydrophobicContact CB-CE2 3.73Å; C269-F301 HydrophobicContact CB-CG 3.71Å; C269-F301 HydrophobicContact CB-CZ 4.1Å; F279-F301 HydrophobicContact CB-CB 3.48Å; F279-F301 VanDerWaalsContact CB-CB 3.48Å; F279-F301 HydrophobicContact CB-CG 4.47Å; F279-F301 WeakPolarHBondContact O-CB 3.41Å; F279-F301 VanDerWaalsContact O-CD1 3.29Å; F279-F301 WeakPolarHBondContact O-CD1 3.34Å; E281-F301 CarbonylContact O-C 3.1Å; E281-F301 VanDerWaalsContact O-CA 3.29Å; E281-F301 WeakPolarHBondContact O-CA 3.44Å; I282-F301 HydrophobicContact CB-CD1 3.76Å; I282-F301 HydrophobicContact CB-CE1 3.63Å; I282-F301 HydrophobicContact CB-CZ 4.31Å; I282-F301 HydrophobicContact CD1-CE1 3.93Å; I282-F301 HydrophobicContact CD1-CZ 3.84Å; I282-F301 HydrophobicContact CG1-CD1 4.19Å; I282-F301 HydrophobicContact CG1-CE1 3.82Å; I282-F301 HydrophobicContact CG1-CZ 3.98Å; A299-F301 HydrophobicContact CB-CD2 4.38Å; A299-F301 HydrophobicContact CB-CE2 3.48Å; A299-F301 VanDerWaalsContact CB-CE2 3.48Å; A299-F301 HydrophobicContact CB-CZ 3.83Å; A299-F301 WeakPolarHBondContact O-CD2 3.47Å; A299-F301 WeakPolarHBondContact O-CE2 3.44Å; F301-S311 CarbonylContact O-C 3.45Å; F301-S311 WeakPolarHBondContact O-CA 3.43Å; F301-S311 WeakPolarHBondContact O-CB 3.32Å; F301-S311 PolarHBondContact O-OG 3.25Å; F301-A312 PolarHBondContact N-O 3.14Å; F301-A312 PolarHBondContact O-N 3.13Å; F301-C314 HydrophobicContact CD2-CB 4.41Å; F301-C314 HydrophobicContact CE2-CB 3.96Å; F301-Y316 AromaticContact CE2-CE2 3.86Å; F301-Y316 HydrophobicContact CE2-CE2 3.86Å; F301-Y316 WeakPolarHBondContact CE2-OH 3.36Å; F301-Y316 AromaticContact CZ-CE2 3.85Å; F301-Y316 HydrophobicContact CZ-CE2 3.85Å; F301-Y316 AromaticContact CZ-CZ 3.93Å; F301-Y316 WeakPolarHBondContact CZ-OH 3.44Å |
| 302 | T | 97.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 160.9 | 170.7 | 62.2 | 0 | 0 | 0 | 0 | 110.5 | F279 N280 E281 Q283 G310 S311 I402 | F279-T302 CarbonylContact C-O 3.57Å; N280-T302 PolarHBondContact N-O 2.88Å; E281-T302 WeakPolarHBondContact CB-OG1 3.26Å; E281-T302 PolarHBondContact N-O 3.44Å; E281-T302 PolarHBondContact O-N 3.19Å; E281-T302 PolarHBondContact O-OG1 3.03Å; Q283-T302 HydrophobicContact CG-CG2 3.57Å; Q283-T302 PolarHBondContact NE2-OG1 2.98Å; T302-G310 VanDerWaalsContact CA-O 3.28Å; T302-G310 WeakPolarHBondContact CA-O 3.42Å; T302-S311 VanDerWaalsContact CG2-OG 3.29Å; T302-S311 WeakPolarHBondContact CG2-OG 3.27Å; T302-I402 HydrophobicContact CG2-CD1 4.12Å; T302-I402 HydrophobicContact CG2-CG2 3.89Å |
| 303 | T | 94.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | trans | -74.9 | 175.3 | 158 | 55 | 0 | 0 | 0 | 0 | 110.5 | F277 F279 F308 S309 G310 | F277-T303 HydrophobicContact CE1-CG2 3.53Å; F277-T303 HydrophobicContact CZ-CG2 3.64Å; F279-T303 HydrophobicContact CD1-CG2 3.81Å; F279-T303 HydrophobicContact CE1-CG2 4.03Å; T303-F308 WeakPolarHBondContact CB-O 3.35Å; T303-F308 PolarHBondContact OG1-O 3.13Å; T303-S309 WeakPolarHBondContact OG1-CA 3.5Å; T303-G310 PolarHBondContact N-O 2.04Å; T303-G310 PolarHBondContact OG1-N 2.98Å; T303-G310 PolarHBondContact OG1-O 2.94Å | ||
| 304 | N | 89.3 | Confident | 92.9 | Very high | 92 Ų | 92 | 35.2 Ų | 35.2 | 49% | 0.492 | 19% | 0.193 | S | C | . | . | trans | -63.5 | 133.6 | 167.2 | -175.6 | -23.5 | 0 | 0 | 0 | 109.7 | E281 N306 | E281-N304 WeakPolarHBondContact OE1-CA 3.4Å; N304-N306 VanDerWaalsContact C-N 3.27Å; N304-N306 PolarHBondContact O-N 2.92Å; N304-N306 WeakPolarHBondContact OD1-CB 3.41Å; N304-N306 PolarHBondContact OD1-N 3.02Å | ||
| 305 | L | 84.9 | Confident | 93.1 | Very high | 97 Ų | 97 | 30.4 Ų | 30.4 | 51% | 0.508 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -17.4 | -178.1 | -58.9 | 178.5 | 0 | 0 | 0 | 113.7 | G307 I402 | L305-G307 PolarHBondContact O-N 2.85Å; L305-I402 HydrophobicContact CD2-CD1 3.65Å; L305-I402 HydrophobicContact CD2-CG1 4.06Å |
| 306 | N | 83.7 | Confident | 93.2 | Very high | 156 Ų | 156 | 29.8 Ų | 29.8 | 83% | 0.834 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 20.9 | -178.2 | -67.4 | -23 | 0 | 0 | 0 | 114.4 | N304 | N304-N306 VanDerWaalsContact C-N 3.27Å; N304-N306 PolarHBondContact O-N 2.92Å; N304-N306 WeakPolarHBondContact OD1-CB 3.41Å; N304-N306 PolarHBondContact OD1-N 3.02Å |
| 307 | G | 78.3 | Confident | 93.2 | Very high | 53 Ų | 53 | 29.5 Ų | 29.5 | 55% | 0.546 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -169.7 | -129.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L305 S309 | L305-G307 PolarHBondContact O-N 2.85Å; G307-S309 PolarHBondContact O-N 2.9Å |
| 308 | F | 83.2 | Confident | 93.2 | Very high | 157 Ų | 157 | 30.5 Ų | 30.5 | 69% | 0.689 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -66.1 | 107.4 | 174 | -63.6 | -70.3 | 0 | 0 | 0 | 110 | T303 | T303-F308 WeakPolarHBondContact CB-O 3.35Å; T303-F308 PolarHBondContact OG1-O 3.13Å |
| 309 | S | 90 | Very high | 93.1 | Very high | 30 Ų | 30 | 33.8 Ų | 33.8 | 21% | 0.21 | 20% | 0.2 | C | C | . | . | trans | -84.3 | 135.4 | 176.2 | -72.6 | 0 | 0 | 0 | 0 | 110 | T303 G307 D400 | T303-S309 WeakPolarHBondContact OG1-CA 3.5Å; G307-S309 PolarHBondContact O-N 2.9Å; S309-D400 WeakPolarHBondContact O-CA 3.47Å; S309-D400 PolarHBondContact O-N 2.72Å | ||
| 310 | G | 95 | Very high | 93 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | 160.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | T302 T303 K398 V401 | T302-G310 VanDerWaalsContact CA-O 3.28Å; T302-G310 WeakPolarHBondContact CA-O 3.42Å; T303-G310 PolarHBondContact N-O 2.04Å; T303-G310 PolarHBondContact OG1-N 2.98Å; T303-G310 PolarHBondContact OG1-O 2.94Å; G310-K398 VanDerWaalsContact CA-O 3.31Å; G310-K398 WeakPolarHBondContact CA-O 3.31Å; G310-V401 CarbonylContact C-O 3.5Å |
| 311 | S | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.4 | 179.9 | -80.1 | 0 | 0 | 0 | 0 | 112.6 | F301 T302 Y397 K398 V401 I402 L403 | F301-S311 CarbonylContact O-C 3.45Å; F301-S311 WeakPolarHBondContact O-CA 3.43Å; F301-S311 WeakPolarHBondContact O-CB 3.32Å; F301-S311 PolarHBondContact O-OG 3.25Å; T302-S311 VanDerWaalsContact CG2-OG 3.29Å; T302-S311 WeakPolarHBondContact CG2-OG 3.27Å; S311-Y397 CarbonylContact O-C 3.54Å; S311-Y397 WeakPolarHBondContact O-CA 3.17Å; S311-K398 PolarHBondContact N-O 2.77Å; S311-K398 PolarHBondContact O-N 2.85Å; S311-V401 VanDerWaalsContact CB-O 3.28Å; S311-V401 WeakPolarHBondContact CB-O 3.29Å; S311-V401 PolarHBondContact N-O 2.79Å; S311-V401 VanDerWaalsContact N-O 3.11Å; S311-V401 PolarHBondContact OG-O 2.62Å; S311-I402 WeakPolarHBondContact OG-CA 3.27Å; S311-L403 PolarHBondContact OG-N 3.2Å |
| 312 | A | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | F279 T300 F301 P394 F396 | F279-A312 HydrophobicContact CB-CB 4.18Å; F279-A312 HydrophobicContact CD1-CB 3.74Å; F279-A312 HydrophobicContact CD2-CB 3.44Å; F279-A312 VanDerWaalsContact CD2-CB 3.44Å; F279-A312 HydrophobicContact CE1-CB 3.9Å; F279-A312 HydrophobicContact CE2-CB 3.61Å; F279-A312 HydrophobicContact CG-CB 3.51Å; F279-A312 HydrophobicContact CZ-CB 3.84Å; T300-A312 CarbonylContact C-O 3.32Å; T300-A312 WeakPolarHBondContact CA-O 3.38Å; F301-A312 PolarHBondContact N-O 3.14Å; F301-A312 PolarHBondContact O-N 3.13Å; A312-P394 HydrophobicContact CB-CB 3.76Å; A312-P394 HydrophobicContact CB-CG 4.16Å; A312-F396 CarbonylContact C-O 3.58Å; A312-F396 VanDerWaalsContact CA-O 3.24Å; A312-F396 WeakPolarHBondContact CA-O 3.44Å |
| 313 | I | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.7 | 174.6 | -54 | 179 | 0 | 0 | 0 | 107.9 | A299 P394 I395 F396 L403 L406 I421 A423 I433 | A299-I313 WeakPolarHBondContact O-CA 3.31Å; I313-P394 CarbonylContact O-C 3.57Å; I313-P394 VanDerWaalsContact O-CA 3.29Å; I313-P394 WeakPolarHBondContact O-CA 3.49Å; I313-P394 WeakPolarHBondContact O-CB 3.25Å; I313-I395 HydrophobicContact CB-CD1 4.4Å; I313-I395 HydrophobicContact CB-CG1 4.16Å; I313-I395 HydrophobicContact CG2-CD1 3.94Å; I313-I395 HydrophobicContact CG2-CG1 4.09Å; I313-I395 WeakPolarHBondContact O-CG1 3.49Å; I313-I395 PolarHBondContact O-N 2.83Å; I313-F396 HydrophobicContact CB-CB 4.39Å; I313-F396 HydrophobicContact CD1-CB 4.46Å; I313-F396 HydrophobicContact CD1-CD1 4.14Å; I313-F396 HydrophobicContact CG1-CD1 4.33Å; I313-F396 PolarHBondContact N-O 2.85Å; I313-L403 HydrophobicContact CD1-CD1 3.8Å; I313-L403 HydrophobicContact CG1-CD1 3.72Å; I313-L406 HydrophobicContact CD1-CD2 4Å; I313-L406 HydrophobicContact CG2-CD1 4.49Å; I313-I421 HydrophobicContact CD1-CG2 3.93Å; I313-I421 HydrophobicContact CG2-CD1 4.36Å; I313-A423 HydrophobicContact CD1-CB 4.18Å; I313-I433 HydrophobicContact CD1-CD1 3.67Å |
| 314 | C | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 149.5 | 176.1 | -80.7 | 0 | 0 | 0 | 0 | 110 | C269 A299 F301 Y316 P383 P394 | C269-C314 WeakPolarHBondContact CA-SG 3.12Å; C269-C314 HydrophobicContact CB-CB 3.86Å; C269-C314 WeakPolarHBondContact CB-SG 3.37Å; C269-C314 WeakPolarHBondContact SG-CB 3.42Å; C269-C314 CovalentContact SG-SG 2.04Å; C269-C314 PolarHBondContact SG-SG 3.4Å; A299-C314 PolarHBondContact N-O 3.39Å; A299-C314 PolarHBondContact O-N 3.43Å; F301-C314 HydrophobicContact CD2-CB 4.41Å; F301-C314 HydrophobicContact CE2-CB 3.96Å; C314-Y316 HydrophobicContact CB-CE2 3.66Å; C314-Y316 WeakPolarHBondContact CB-OH 3.36Å; C314-P383 HydrophobicContact CB-CB 3.99Å; C314-P394 VanDerWaalsContact SG-CA 3.55Å |
| 315 | I | 94.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.8 | 178.3 | -49.3 | 176.5 | 0 | 0 | 0 | 108.8 | F296 F297 Y298 P383 I384 I395 Y442 | F296-I315 HydrophobicContact CB-CG2 4.25Å; F296-I315 HydrophobicContact CD1-CG2 4.29Å; F297-I315 WeakPolarHBondContact O-CA 3.5Å; Y298-I315 HydrophobicContact CD1-CD1 3.9Å; Y298-I315 HydrophobicContact CD1-CG1 3.68Å; Y298-I315 HydrophobicContact CD2-CG2 4.46Å; Y298-I315 HydrophobicContact CE1-CD1 3.31Å; Y298-I315 HydrophobicContact CE1-CG1 3.65Å; Y298-I315 HydrophobicContact CE1-CG2 4.41Å; Y298-I315 HydrophobicContact CE2-CG2 4.25Å; Y298-I315 HydrophobicContact CG-CG1 4.34Å; I315-P383 CarbonylContact O-C 3.55Å; I315-P383 VanDerWaalsContact O-CA 3.27Å; I315-P383 WeakPolarHBondContact O-CA 3.36Å; I315-I384 HydrophobicContact CG2-CD1 3.93Å; I315-I384 PolarHBondContact O-N 3.03Å; I315-I395 HydrophobicContact CD1-CD1 3.81Å; I315-I395 HydrophobicContact CD1-CG1 4.37Å; I315-I395 HydrophobicContact CD1-CG2 3.97Å; I315-I395 HydrophobicContact CG1-CD1 3.94Å; I315-I395 HydrophobicContact CG1-CG1 4.22Å; I315-I395 HydrophobicContact CG1-CG2 4.26Å; I315-Y442 HydrophobicContact CD1-CD1 3.6Å; I315-Y442 HydrophobicContact CD1-CD2 4.18Å; I315-Y442 HydrophobicContact CD1-CE1 3.44Å; I315-Y442 VanDerWaalsContact CD1-CE1 3.44Å; I315-Y442 HydrophobicContact CD1-CE2 4.07Å; I315-Y442 HydrophobicContact CD1-CG 3.96Å; I315-Y442 HydrophobicContact CG2-CE2 4.42Å |
| 316 | Y | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.6 | 179.1 | -52.4 | -86.6 | 0 | 0 | 0 | 110.6 | I267 N268 F296 F297 A299 F301 C314 I381 A382 P383 | I267-Y316 HydrophobicContact CD1-CD1 3.82Å; I267-Y316 HydrophobicContact CD1-CD2 3.6Å; I267-Y316 HydrophobicContact CD1-CE1 3.77Å; I267-Y316 HydrophobicContact CD1-CE2 3.56Å; I267-Y316 HydrophobicContact CD1-CG 3.7Å; I267-Y316 HydrophobicContact CG1-CD1 3.87Å; I267-Y316 HydrophobicContact CG1-CD2 4.3Å; I267-Y316 HydrophobicContact CG1-CE1 3.38Å; I267-Y316 HydrophobicContact CG1-CE2 3.88Å; I267-Y316 HydrophobicContact CG1-CG 4.27Å; N268-Y316 PolarHBondContact O-OH 3.18Å; F296-Y316 CarbonylContact C-O 3.52Å; F296-Y316 VanDerWaalsContact CA-O 3.31Å; F296-Y316 WeakPolarHBondContact CA-O 3.47Å; F297-Y316 PolarHBondContact N-O 3.21Å; F297-Y316 PolarHBondContact O-N 2.79Å; A299-Y316 HydrophobicContact CB-CE2 4.14Å; F301-Y316 AromaticContact CE2-CE2 3.86Å; F301-Y316 HydrophobicContact CE2-CE2 3.86Å; F301-Y316 WeakPolarHBondContact CE2-OH 3.36Å; F301-Y316 AromaticContact CZ-CE2 3.85Å; F301-Y316 HydrophobicContact CZ-CE2 3.85Å; F301-Y316 AromaticContact CZ-CZ 3.93Å; F301-Y316 WeakPolarHBondContact CZ-OH 3.44Å; C314-Y316 HydrophobicContact CB-CE2 3.66Å; C314-Y316 WeakPolarHBondContact CB-OH 3.36Å; Y316-I381 HydrophobicContact CD1-CG2 3.67Å; Y316-I381 HydrophobicContact CE1-CG2 4.3Å; Y316-I381 HydrophobicContact CG-CG2 4.45Å; Y316-A382 WeakPolarHBondContact CD1-O 3.4Å; Y316-P383 HydrophobicContact CD1-CB 4.47Å; Y316-P383 HydrophobicContact CE1-CB 4.05Å |
| 317 | S | 94.5 | Very high | 94.5 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 143.8 | 173.7 | 84 | 0 | 0 | 0 | 0 | 110.7 | A319 D320 I321 | S317-A319 PolarHBondContact O-N 3.11Å; S317-D320 PolarHBondContact O-N 2.92Å; S317-D320 WeakPolarHBondContact OG-CB 3.47Å; S317-D320 PolarHBondContact OG-N 2.8Å; S317-D320 PolarHBondContact OG-OD2 2.78Å; S317-I321 WeakPolarHBondContact O-CG1 3.48Å; S317-I321 PolarHBondContact O-N 3.08Å |
| 318 | L | 96.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.105 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -31.8 | 171.5 | 178.7 | 62 | 0 | 0 | 0 | 111.5 | V214 Y220 T295 F297 I321 K322 | V214-L318 HydrophobicContact CB-CD2 3.9Å; V214-L318 HydrophobicContact CG1-CD1 4.48Å; V214-L318 HydrophobicContact CG1-CD2 4.21Å; V214-L318 HydrophobicContact CG2-CD1 4.25Å; V214-L318 HydrophobicContact CG2-CD2 3.76Å; Y220-L318 HydrophobicContact CE1-CD1 4.19Å; Y220-L318 HydrophobicContact CE2-CD1 4.05Å; T295-L318 HydrophobicContact CG2-CB 4.38Å; T295-L318 HydrophobicContact CG2-CD2 4.38Å; T295-L318 WeakPolarHBondContact O-CB 3.36Å; T295-L318 PolarHBondContact O-N 3.09Å; F297-L318 HydrophobicContact CE2-CB 4.01Å; F297-L318 HydrophobicContact CE2-CD1 4.02Å; F297-L318 HydrophobicContact CZ-CD1 4.36Å; L318-I321 PolarHBondContact O-N 3.11Å; L318-K322 HydrophobicContact CD1-CD 4.3Å; L318-K322 HydrophobicContact CD1-CG 4.2Å; L318-K322 HydrophobicContact CG-CD 4Å; L318-K322 HydrophobicContact CG-CG 4.34Å; L318-K322 WeakPolarHBondContact O-CB 3.43Å; L318-K322 VanDerWaalsContact O-CG 3.29Å; L318-K322 WeakPolarHBondContact O-CG 3.22Å; L318-K322 PolarHBondContact O-N 3.28Å |
| 319 | A | 95.6 | Very high | 96 | Very high | 70 Ų | 70 | 29.2 Ų | 29.2 | 58% | 0.579 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -61.5 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S317 K322 H323 | S317-A319 PolarHBondContact O-N 3.11Å; A319-K322 PolarHBondContact O-N 3.07Å; A319-H323 WeakPolarHBondContact O-CB 3.14Å; A319-H323 PolarHBondContact O-N 3.42Å |
| 320 | D | 95.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 27.8 Ų | 27.8 | 40% | 0.401 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.7 | -40.9 | 178.3 | -63.3 | -39.3 | 0 | 0 | 0 | 111.7 | S317 K322 H323 V324 | S317-D320 PolarHBondContact O-N 2.92Å; S317-D320 WeakPolarHBondContact OG-CB 3.47Å; S317-D320 PolarHBondContact OG-N 2.8Å; S317-D320 PolarHBondContact OG-OD2 2.78Å; D320-K322 VanDerWaalsContact C-N 3.34Å; D320-K322 PolarHBondContact O-N 2.92Å; D320-H323 PolarHBondContact O-N 2.88Å; D320-V324 WeakPolarHBondContact O-CG2 3.44Å; D320-V324 PolarHBondContact O-N 2.85Å |
| 321 | I | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 174.8 | -64.2 | 174.5 | 0 | 0 | 0 | 109.8 | Y220 F222 V241 F297 S317 L318 V324 F325 I381 | Y220-I321 HydrophobicContact CD1-CG2 4.19Å; Y220-I321 HydrophobicContact CE1-CG2 3.88Å; F222-I321 HydrophobicContact CZ-CD1 4.27Å; V241-I321 HydrophobicContact CG1-CG2 4.14Å; F297-I321 HydrophobicContact CD2-CD1 3.55Å; F297-I321 HydrophobicContact CE2-CD1 3.69Å; S317-I321 WeakPolarHBondContact O-CG1 3.48Å; S317-I321 PolarHBondContact O-N 3.08Å; L318-I321 PolarHBondContact O-N 3.11Å; I321-V324 PolarHBondContact O-N 3.37Å; I321-F325 HydrophobicContact CG2-CD2 3.86Å; I321-F325 HydrophobicContact CG2-CE2 3.59Å; I321-F325 WeakPolarHBondContact O-CD2 3.42Å; I321-F325 PolarHBondContact O-N 2.78Å; I321-I381 HydrophobicContact CB-CD1 4.32Å; I321-I381 HydrophobicContact CG1-CD1 3.88Å; I321-I381 HydrophobicContact CG1-CG1 4.42Å; I321-I381 HydrophobicContact CG1-CG2 4.11Å; I321-I381 HydrophobicContact CG2-CD1 4.18Å |
| 322 | K | 97.2 | Very high | 95.9 | Very high | 73 Ų | 73 | 30.4 Ų | 30.4 | 32% | 0.317 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 177.4 | -74 | 175.5 | 64.7 | 173.6 | 0 | 111.7 | Y220 L318 A319 D320 V324 F325 D326 | Y220-K322 WeakPolarHBondContact OH-CG 3.41Å; L318-K322 HydrophobicContact CD1-CD 4.3Å; L318-K322 HydrophobicContact CD1-CG 4.2Å; L318-K322 HydrophobicContact CG-CD 4Å; L318-K322 HydrophobicContact CG-CG 4.34Å; L318-K322 WeakPolarHBondContact O-CB 3.43Å; L318-K322 VanDerWaalsContact O-CG 3.29Å; L318-K322 WeakPolarHBondContact O-CG 3.22Å; L318-K322 PolarHBondContact O-N 3.28Å; A319-K322 PolarHBondContact O-N 3.07Å; D320-K322 VanDerWaalsContact C-N 3.34Å; D320-K322 PolarHBondContact O-N 2.92Å; K322-V324 VanDerWaalsContact C-N 3.28Å; K322-V324 PolarHBondContact O-N 2.87Å; K322-F325 PolarHBondContact O-N 3.45Å; K322-F325 VanDerWaalsContact O-N 3.14Å; K322-D326 VanDerWaalsContact O-CB 3.29Å; K322-D326 WeakPolarHBondContact O-CB 3.32Å; K322-D326 PolarHBondContact O-N 3.05Å |
| 323 | H | 97.2 | Very high | 95.6 | Very high | 101 Ų | 101 | 33.1 Ų | 33.1 | 47% | 0.468 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -56.1 | -42.8 | 179.6 | 177.8 | -89.7 | 0 | 0 | 0 | 112 | A319 D320 D326 H327 | A319-H323 WeakPolarHBondContact O-CB 3.14Å; A319-H323 PolarHBondContact O-N 3.42Å; D320-H323 PolarHBondContact O-N 2.88Å; H323-D326 PolarHBondContact O-N 2.8Å; H323-H327 AromaticContact CD2-ND1 3.48Å; H323-H327 PolarHBondContact CD2-ND1 3.35Å; H323-H327 AromaticContact CG-ND1 3.96Å; H323-H327 AromaticContact NE2-ND1 3.93Å; H323-H327 WeakPolarHBondContact O-CB 3.31Å; H323-H327 PolarHBondContact O-N 3.06Å; H323-H327 PolarHBondContact O-ND1 3.33Å; H323-H327 VanDerWaalsContact O-ND1 3.12Å |
| 324 | V | 97.8 | Very high | 95 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -51.6 | 175.4 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | T265 D320 I321 K322 D326 S328 M377 K379 I381 | T265-V324 HydrophobicContact CG2-CG1 4.1Å; D320-V324 WeakPolarHBondContact O-CG2 3.44Å; D320-V324 PolarHBondContact O-N 2.85Å; I321-V324 PolarHBondContact O-N 3.37Å; K322-V324 VanDerWaalsContact C-N 3.28Å; K322-V324 PolarHBondContact O-N 2.87Å; V324-D326 VanDerWaalsContact C-N 3.3Å; V324-D326 PolarHBondContact O-N 2.99Å; V324-S328 WeakPolarHBondContact O-CA 3.5Å; V324-S328 WeakPolarHBondContact O-CB 3.44Å; V324-S328 PolarHBondContact O-N 3.32Å; V324-M377 HydrophobicContact CG1-CB 4.39Å; V324-K379 HydrophobicContact CG1-CB 4.41Å; V324-K379 WeakPolarHBondContact CG1-O 3.44Å; V324-I381 HydrophobicContact CB-CG1 4.32Å; V324-I381 HydrophobicContact CG1-CG1 4.43Å; V324-I381 HydrophobicContact CG2-CG1 4.14Å |
| 325 | F | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -36.5 | -179.9 | -72.9 | -65.7 | 0 | 0 | 0 | 112.9 | Y220 V241 R243 L263 T265 I321 K322 R352 M377 | Y220-F325 HydrophobicContact CE1-CE2 4.36Å; V241-F325 HydrophobicContact CG1-CE2 4.17Å; V241-F325 HydrophobicContact CG1-CZ 4.31Å; V241-F325 WeakPolarHBondContact O-CZ 3.33Å; R243-F325 HydrophobicContact CB-CE2 4.25Å; R243-F325 HydrophobicContact CB-CZ 4.38Å; R243-F325 HydrophobicContact CG-CD1 4.18Å; R243-F325 HydrophobicContact CG-CD2 4.12Å; R243-F325 HydrophobicContact CG-CE1 4.21Å; R243-F325 HydrophobicContact CG-CE2 4.14Å; R243-F325 HydrophobicContact CG-CG 4.15Å; R243-F325 HydrophobicContact CG-CZ 4.18Å; R243-F325 VanDerWaalsContact NH1-CB 3.31Å; L263-F325 HydrophobicContact CB-CD1 3.88Å; L263-F325 HydrophobicContact CB-CE1 3.89Å; L263-F325 HydrophobicContact CD1-CD1 4.35Å; T265-F325 HydrophobicContact CG2-CE1 4.11Å; T265-F325 HydrophobicContact CG2-CE2 4.41Å; T265-F325 HydrophobicContact CG2-CZ 3.91Å; I321-F325 HydrophobicContact CG2-CD2 3.86Å; I321-F325 HydrophobicContact CG2-CE2 3.59Å; I321-F325 WeakPolarHBondContact O-CD2 3.42Å; I321-F325 PolarHBondContact O-N 2.78Å; K322-F325 PolarHBondContact O-N 3.45Å; K322-F325 VanDerWaalsContact O-N 3.14Å; F325-R352 PolarHBondContact O-NH2 2.8Å; F325-M377 HydrophobicContact CD1-CG 3.9Å; F325-M377 HydrophobicContact CD1-SD 4.27Å; F325-M377 HydrophobicContact CE1-CG 4.19Å |
| 326 | D | 96 | Very high | 93.8 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -79.6 | -28.3 | -175 | -64.6 | -21.8 | 0 | 0 | 0 | 113 | R243 K322 H323 V324 R352 | R243-D326 IonicContact CZ-OD1 3.22Å; R243-D326 VanDerWaalsContact CZ-OD1 3.25Å; R243-D326 IonicContact NH1-OD1 2.69Å; R243-D326 PolarHBondContact NH1-OD1 3.12Å; R243-D326 IonicContact NH1-OD2 2.63Å; R243-D326 IonicContact NH2-OD1 3.53Å; R243-D326 PolarHBondContact NH2-OD1 3.24Å; K322-D326 VanDerWaalsContact O-CB 3.29Å; K322-D326 WeakPolarHBondContact O-CB 3.32Å; K322-D326 PolarHBondContact O-N 3.05Å; H323-D326 PolarHBondContact O-N 2.8Å; V324-D326 VanDerWaalsContact C-N 3.3Å; V324-D326 PolarHBondContact O-N 2.99Å; D326-R352 PolarHBondContact O-NE 3.29Å |
| 327 | H | 95.6 | Very high | 93.1 | Very high | 122 Ų | 122 | 49.7 Ų | 49.7 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -128.2 | -16.6 | -171.1 | -52.6 | 91.6 | 0 | 0 | 0 | 115.8 | H323 | H323-H327 AromaticContact CD2-ND1 3.48Å; H323-H327 PolarHBondContact CD2-ND1 3.35Å; H323-H327 AromaticContact CG-ND1 3.96Å; H323-H327 AromaticContact NE2-ND1 3.93Å; H323-H327 WeakPolarHBondContact O-CB 3.31Å; H323-H327 PolarHBondContact O-N 3.06Å; H323-H327 PolarHBondContact O-ND1 3.33Å; H323-H327 VanDerWaalsContact O-ND1 3.12Å |
| 328 | S | 96.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 148.3 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | V324 R352 M377 K379 | V324-S328 WeakPolarHBondContact O-CA 3.5Å; V324-S328 WeakPolarHBondContact O-CB 3.44Å; V324-S328 PolarHBondContact O-N 3.32Å; S328-R352 PolarHBondContact O-NH1 3.25Å; S328-R352 PolarHBondContact O-NH2 3.33Å; S328-M377 VanDerWaalsContact O-CE 3.25Å; S328-M377 WeakPolarHBondContact O-CE 3.44Å; S328-K379 WeakPolarHBondContact OG-CB 3.47Å; S328-K379 PolarHBondContact OG-N 2.88Å |
| 329 | N | 96.5 | Very high | 92.3 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 167 | 165.9 | -58.1 | -36.1 | 0 | 0 | 0 | 110.6 | L343 E378 | N329-L343 WeakPolarHBondContact CB-O 3.15Å; N329-E378 HydrophobicContact CB-CB 4.31Å; N329-E378 WeakPolarHBondContact CB-OE2 3.47Å; N329-E378 PolarHBondContact ND2-OE2 3.34Å; N329-E378 WeakPolarHBondContact O-CB 3.42Å; N329-E378 PolarHBondContact O-N 2.64Å |
| 330 | F | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 154 | 174 | -61.6 | -85 | 0 | 0 | 0 | 110.4 | L263 L343 T348 P353 F370 H374 M377 | L263-F330 HydrophobicContact CD1-CE1 4.07Å; L263-F330 HydrophobicContact CD2-CD1 4.37Å; L263-F330 HydrophobicContact CD2-CE1 3.67Å; F330-L343 HydrophobicContact CB-CD1 3.94Å; F330-L343 PolarHBondContact O-N 2.92Å; F330-T348 HydrophobicContact CD2-CG2 4.18Å; F330-T348 HydrophobicContact CE2-CG2 3.65Å; F330-P353 HydrophobicContact CE1-CB 4.39Å; F330-P353 HydrophobicContact CZ-CB 4.01Å; F330-P353 HydrophobicContact CZ-CG 4.3Å; F330-F370 HydrophobicContact CB-CZ 4.3Å; F330-F370 HydrophobicContact CD1-CE1 4.31Å; F330-F370 AromaticContact CD2-CE1 3.91Å; F330-F370 HydrophobicContact CD2-CE1 3.91Å; F330-F370 AromaticContact CD2-CZ 3.8Å; F330-F370 HydrophobicContact CD2-CZ 3.8Å; F330-F370 HydrophobicContact CE2-CE1 4.12Å; F330-F370 HydrophobicContact CE2-CZ 4.35Å; F330-F370 HydrophobicContact CG-CE1 4.02Å; F330-F370 HydrophobicContact CG-CZ 4.03Å; F330-F370 HydrophobicContact CZ-CE1 4.42Å; F330-H374 HydrophobicContact CB-CB 4.47Å; F330-H374 WeakPolarHBondContact CD1-O 3.13Å; F330-M377 HydrophobicContact CD1-CE 4.34Å; F330-M377 HydrophobicContact CD1-SD 3.88Å; F330-M377 HydrophobicContact CE1-CE 4.1Å; F330-M377 HydrophobicContact CE1-SD 3.71Å; F330-M377 HydrophobicContact CZ-CE 4.45Å |
| 331 | K | 93.4 | Very high | 91.9 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 135.7 | 168.3 | -97 | 171.7 | -179.2 | 165.6 | 0 | 109.7 | W340 Q341 L376 E378 | K331-W340 HydrophobicContact CB-CE3 4.12Å; K331-Q341 WeakPolarHBondContact CA-O 3.22Å; K331-L376 HydrophobicContact CB-CB 4.41Å; K331-L376 HydrophobicContact CB-CD2 4.12Å; K331-L376 HydrophobicContact CB-CG 4.15Å; K331-L376 HydrophobicContact CD-CD2 4.28Å; K331-L376 PolarHBondContact N-O 3.05Å; K331-E378 WeakPolarHBondContact CE-O 3.34Å; K331-E378 HydrophobicContact CG-CB 4.22Å; K331-E378 PolarHBondContact NZ-O 3.35Å |
| 332 | G | 91.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 172.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W340 Q341 | G332-W340 WeakPolarHBondContact O-CA 3.2Å; G332-Q341 PolarHBondContact N-O 2.85Å; G332-Q341 PolarHBondContact O-N 3.11Å |
| 333 | Q | 88.5 | Confident | 91.5 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | trans | -128.4 | 138.8 | 170.1 | -60.5 | 169.6 | -62 | 0 | 0 | 108.1 | S335 H338 W340 | Q333-S335 VanDerWaalsContact C-N 3.25Å; Q333-S335 WeakPolarHBondContact CB-O 3.32Å; Q333-S335 PolarHBondContact O-N 3.43Å; Q333-H338 WeakPolarHBondContact CG-O 3.45Å; Q333-H338 PolarHBondContact NE2-O 3.09Å; Q333-W340 VanDerWaalsContact CD-CE2 3.45Å; Q333-W340 HydrophobicContact CG-CB 4.24Å; Q333-W340 HydrophobicContact CG-CD2 3.64Å; Q333-W340 HydrophobicContact CG-CE3 4.25Å; Q333-W340 HydrophobicContact CG-CG 3.58Å; Q333-W340 VanDerWaalsContact NE2-NE1 3.15Å | ||
| 334 | A | 83.9 | Confident | 91.2 | Very high | 98 Ų | 98 | 54.1 Ų | 54.1 | 81% | 0.81 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -63.3 | -34.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 335 | S | 83.4 | Confident | 90.7 | Very high | 41 Ų | 41 | 57.8 Ų | 57.8 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -149.9 | 164.6 | 168.5 | 81.4 | 0 | 0 | 0 | 0 | 109.7 | Q333 A337 H338 | Q333-S335 VanDerWaalsContact C-N 3.25Å; Q333-S335 WeakPolarHBondContact CB-O 3.32Å; Q333-S335 PolarHBondContact O-N 3.43Å; S335-A337 PolarHBondContact O-N 2.85Å; S335-A337 PolarHBondContact OG-N 3.14Å; S335-H338 PolarHBondContact O-N 2.85Å; S335-H338 PolarHBondContact OG-ND1 3.03Å |
| 336 | P | 81.8 | Confident | 90.4 | Very high | 118 Ų | 118 | 67.4 Ų | 67.4 | 77% | 0.766 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -19.5 | 178.9 | -26.6 | 35.5 | 0 | 0 | 0 | 115.1 | ||
| 337 | A | 82.7 | Confident | 90.1 | Very high | 94 Ų | 94 | 70.5 Ų | 70.5 | 78% | 0.777 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -14 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S335 | S335-A337 PolarHBondContact O-N 2.85Å; S335-A337 PolarHBondContact OG-N 3.14Å |
| 338 | H | 86.8 | Confident | 89.9 | Confident | 106 Ų | 106 | 65.9 Ų | 65.9 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -87.5 | 153.7 | -179 | -72.5 | 78 | 0 | 0 | 0 | 111.4 | Q333 S335 | Q333-H338 WeakPolarHBondContact CG-O 3.45Å; Q333-H338 PolarHBondContact NE2-O 3.09Å; S335-H338 PolarHBondContact O-N 2.85Å; S335-H338 PolarHBondContact OG-ND1 3.03Å |
| 339 | A | 87.4 | Confident | 89.7 | Confident | 55 Ų | 55 | 67 Ų | 67 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 151.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q341 | A339-Q341 PolarHBondContact O-N 2.93Š|
| 340 | W | 90.5 | Very high | 89.2 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 14% | 0.136 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 127.1 | 171.8 | -70.9 | 74.8 | 0 | 0 | 0 | 109.8 | V228 E229 K331 G332 Q333 L376 | V228-W340 HydrophobicContact CB-CZ2 3.91Å; V228-W340 HydrophobicContact CG2-CH2 3.9Å; V228-W340 HydrophobicContact CG2-CZ2 3.47Å; V228-W340 VanDerWaalsContact CG2-CZ2 3.47Å; V228-W340 PolarHBondContact O-NE1 3.14Å; E229-W340 HydrophobicContact CB-CB 3.99Å; E229-W340 HydrophobicContact CB-CD2 3.97Å; E229-W340 HydrophobicContact CB-CG 3.69Å; K331-W340 HydrophobicContact CB-CE3 4.12Å; G332-W340 WeakPolarHBondContact O-CA 3.2Å; Q333-W340 VanDerWaalsContact CD-CE2 3.45Å; Q333-W340 HydrophobicContact CG-CB 4.24Å; Q333-W340 HydrophobicContact CG-CD2 3.64Å; Q333-W340 HydrophobicContact CG-CE3 4.25Å; Q333-W340 HydrophobicContact CG-CG 3.58Å; Q333-W340 VanDerWaalsContact NE2-NE1 3.15Å; W340-L376 HydrophobicContact CE3-CD2 4.16Å; W340-L376 HydrophobicContact CZ3-CB 4.39Å; W340-L376 HydrophobicContact CZ3-CD2 4.09Å |
| 341 | Q | 92 | Very high | 88.9 | Confident | 134 Ų | 134 | 74.6 Ų | 74.6 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156.8 | -178 | -68.2 | -178.7 | -10.5 | 0 | 0 | 110.7 | K331 G332 A339 | K331-Q341 WeakPolarHBondContact CA-O 3.22Å; G332-Q341 PolarHBondContact N-O 2.85Å; G332-Q341 PolarHBondContact O-N 3.11Å; A339-Q341 PolarHBondContact O-N 2.93Å |
| 342 | S | 93.7 | Very high | 88.9 | Confident | 49 Ų | 49 | 73.9 Ų | 73.9 | 34% | 0.343 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 127.8 | 169.4 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | E378 | S342-E378 WeakPolarHBondContact CB-OE1 3.46Å; S342-E378 PolarHBondContact OG-OE1 3Å; S342-E378 PolarHBondContact OG-OE2 2.94Å |
| 343 | L | 93.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 144.1 | 174.8 | -68.4 | 176.5 | 0 | 0 | 0 | 110.5 | N329 F330 F370 H374 | N329-L343 WeakPolarHBondContact CB-O 3.15Å; F330-L343 HydrophobicContact CB-CD1 3.94Å; F330-L343 PolarHBondContact O-N 2.92Å; L343-F370 HydrophobicContact CD1-CE2 4.1Å; L343-F370 HydrophobicContact CD1-CZ 4.04Å; L343-H374 WeakPolarHBondContact CD1-CD2 3.39Å |
| 344 | S | 90.9 | Very high | 89.1 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 148.3 | 174.2 | 74.1 | 0 | 0 | 0 | 0 | 110.5 | K346 E347 | S344-K346 PolarHBondContact O-N 2.88Å; S344-E347 VanDerWaalsContact CB-OE2 3.31Å; S344-E347 WeakPolarHBondContact CB-OE2 3.26Å; S344-E347 PolarHBondContact N-OE2 2.88Å; S344-E347 PolarHBondContact O-N 2.59Å; S344-E347 WeakPolarHBondContact OG-CG 3.45Å; S344-E347 PolarHBondContact OG-OE2 2.94Å |
| 345 | P | 88.3 | Confident | 89.5 | Confident | 91 Ų | 91 | 71 Ų | 71 | 59% | 0.591 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -22.9 | 175.3 | -27.2 | 34.1 | 0 | 0 | 0 | 114 | E347 T348 | P345-E347 VanDerWaalsContact C-N 3.33Å; P345-T348 PolarHBondContact O-N 2.73Å |
| 346 | K | 89.9 | Confident | 90.1 | Very high | 202 Ų | 202 | 71.5 Ų | 71.5 | 88% | 0.878 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22.9 | 179.3 | -64.4 | -179 | 179.7 | 178.6 | 0 | 113.5 | S344 | S344-K346 PolarHBondContact O-N 2.88Š|
| 347 | E | 89.7 | Confident | 90.7 | Very high | 109 Ų | 109 | 68 Ų | 68 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -14.8 | 177.2 | -67.6 | 164.6 | 85.2 | 0 | 0 | 112.1 | S344 P345 F370 | S344-E347 VanDerWaalsContact CB-OE2 3.31Å; S344-E347 WeakPolarHBondContact CB-OE2 3.26Å; S344-E347 PolarHBondContact N-OE2 2.88Å; S344-E347 PolarHBondContact O-N 2.59Å; S344-E347 WeakPolarHBondContact OG-CG 3.45Å; S344-E347 PolarHBondContact OG-OE2 2.94Å; P345-E347 VanDerWaalsContact C-N 3.33Å; E347-F370 WeakPolarHBondContact O-CE2 3.39Å |
| 348 | T | 92 | Very high | 91.1 | Very high | 24 Ų | 24 | 75.6 Ų | 75.6 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -73.9 | 133.4 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | F330 P345 | F330-T348 HydrophobicContact CD2-CG2 4.18Å; F330-T348 HydrophobicContact CE2-CG2 3.65Å; P345-T348 PolarHBondContact O-N 2.73Å |
| 349 | P | 91.7 | Very high | 91.4 | Very high | 25 Ų | 25 | 73.3 Ų | 73.3 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | -58 | 155.6 | 177.1 | -21.9 | 30.5 | 0 | 0 | 0 | 113.2 | V351 P353 D367 F370 | P349-V351 VanDerWaalsContact C-N 3.34Å; P349-V351 CarbonylContact O-C 3.59Å; P349-V351 PolarHBondContact O-N 2.9Å; P349-P353 HydrophobicContact CG-CG 4.11Å; P349-D367 WeakPolarHBondContact CB-OD1 3.43Å; P349-F370 HydrophobicContact CG-CB 3.69Å; P349-F370 HydrophobicContact CG-CD1 4.04Å; P349-F370 HydrophobicContact CG-CD2 3.91Å; P349-F370 HydrophobicContact CG-CG 3.6Å | ||
| 350 | T | 87.1 | Confident | 91.8 | Very high | 144 Ų | 144 | 70.8 Ų | 70.8 | 88% | 0.883 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -60.2 | -43 | -178.7 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | R352 | T350-R352 PolarHBondContact O-N 2.91Š|
| 351 | V | 89 | Confident | 92 | Very high | 60 Ų | 60 | 73.3 Ų | 73.3 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -80.8 | 106.2 | 165.1 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | P349 P353 V357 L363 | P349-V351 VanDerWaalsContact C-N 3.34Å; P349-V351 CarbonylContact O-C 3.59Å; P349-V351 PolarHBondContact O-N 2.9Å; V351-P353 VanDerWaalsContact O-CD 3.26Å; V351-P353 WeakPolarHBondContact O-CD 3.25Å; V351-V357 HydrophobicContact CG1-CG1 4.01Å; V351-L363 HydrophobicContact CG1-CD2 4Å |
| 352 | R | 92.9 | Very high | 92.1 | Very high | 40 Ų | 40 | 73.8 Ų | 73.8 | 15% | 0.151 | 38% | 0.38 | C | S | . | . | trans | -60.5 | 121.9 | -176.8 | -178.2 | 174 | 172 | 80.1 | 0.8 | 110.5 | F325 D326 S328 T350 Q355 | F325-R352 PolarHBondContact O-NH2 2.8Å; D326-R352 PolarHBondContact O-NE 3.29Å; S328-R352 PolarHBondContact O-NH1 3.25Å; S328-R352 PolarHBondContact O-NH2 3.33Å; T350-R352 PolarHBondContact O-N 2.91Å; R352-Q355 HydrophobicContact CB-CG 4.36Å; R352-Q355 PolarHBondContact O-N 2.91Å | ||
| 353 | P | 92.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 72.8 Ų | 72.8 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 144.3 | 175.9 | -30 | 38.3 | 0 | 0 | 0 | 113.2 | F330 P349 V351 Q355 F370 V371 | F330-P353 HydrophobicContact CE1-CB 4.39Å; F330-P353 HydrophobicContact CZ-CB 4.01Å; F330-P353 HydrophobicContact CZ-CG 4.3Å; P349-P353 HydrophobicContact CG-CG 4.11Å; V351-P353 VanDerWaalsContact O-CD 3.26Å; V351-P353 WeakPolarHBondContact O-CD 3.25Å; P353-Q355 VanDerWaalsContact C-N 3.34Å; P353-F370 HydrophobicContact CB-CD1 4.23Å; P353-F370 HydrophobicContact CB-CE1 4.38Å; P353-F370 HydrophobicContact CG-CD1 3.43Å; P353-F370 VanDerWaalsContact CG-CD1 3.43Å; P353-F370 HydrophobicContact CG-CE1 3.66Å; P353-F370 HydrophobicContact CG-CG 4.41Å; P353-V371 HydrophobicContact CB-CG2 3.91Å; P353-V371 HydrophobicContact CG-CG2 4.39Å |
| 354 | G | 92.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 74.4 Ų | 74.4 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 0.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R243 | R243-G354 PolarHBondContact NH2-O 3.41Š|
| 355 | Q | 93 | Very high | 92.3 | Very high | 87 Ų | 87 | 76.1 Ų | 76.1 | 41% | 0.407 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -83.8 | 146.4 | 168.2 | -67.5 | -174.9 | -27 | 0 | 0 | 111.1 | R352 P353 V357 | R352-Q355 HydrophobicContact CB-CG 4.36Å; R352-Q355 PolarHBondContact O-N 2.91Å; P353-Q355 VanDerWaalsContact C-N 3.34Å; Q355-V357 PolarHBondContact O-N 3.32Å |
| 356 | C | 95 | Very high | 92.5 | Very high | 51 Ų | 51 | 75.2 Ų | 75.2 | 35% | 0.345 | 39% | 0.389 | S | S | . | . | trans | -65 | 121.7 | 168.9 | -71.9 | 0 | 0 | 0 | 0 | 111 | Y218 C245 | Y218-C356 VanDerWaalsContact CE1-SG 3.59Å; Y218-C356 VanDerWaalsContact CZ-SG 3.54Å; Y218-C356 PolarHBondContact OH-N 2.96Å; Y218-C356 VanDerWaalsContact OH-N 3.14Å; C245-C356 HydrophobicContact CB-CB 4.13Å; C245-C356 WeakPolarHBondContact CB-SG 3.31Å; C245-C356 WeakPolarHBondContact SG-CA 3.45Å; C245-C356 WeakPolarHBondContact SG-CB 3.49Å; C245-C356 CovalentContact SG-SG 2.03Å; C245-C356 PolarHBondContact SG-SG 2.53Å | ||
| 357 | V | 94.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 66.6 Ų | 66.6 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | trans | -109.6 | 159.6 | 172.7 | -63.9 | 0 | 0 | 0 | 0 | 110.6 | V351 Q355 D359 L363 | V351-V357 HydrophobicContact CG1-CG1 4.01Å; Q355-V357 PolarHBondContact O-N 3.32Å; V357-D359 PolarHBondContact O-N 2.82Å; V357-L363 HydrophobicContact CG1-CD2 4.39Å; V357-L363 HydrophobicContact CG2-CD1 4.48Å; V357-L363 HydrophobicContact CG2-CD2 4.48Å; V357-L363 HydrophobicContact CG2-CG 4.45Å | ||
| 358 | R | 90.3 | Very high | 92.9 | Very high | 255 Ų | 255 | 61.4 Ų | 61.4 | 96% | 0.962 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -60.5 | -43.2 | -179 | -68.5 | -176.4 | -177.8 | 170.7 | 0.8 | 112.8 | ||
| 359 | D | 93.9 | Very high | 93 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | trans | -145.1 | 112.7 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 109 | V249 V357 K361 L362 | V249-D359 WeakPolarHBondContact CG2-OD1 3.49Å; V357-D359 PolarHBondContact O-N 2.82Å; D359-K361 PolarHBondContact O-N 2.82Å; D359-K361 VanDerWaalsContact OD1-CB 3.29Å; D359-K361 WeakPolarHBondContact OD1-CB 3.46Å; D359-K361 PolarHBondContact OD1-N 2.86Å; D359-L362 HydrophobicContact CB-CD1 3.99Å; D359-L362 HydrophobicContact CB-CG 3.99Å; D359-L362 WeakPolarHBondContact O-CB 3.45Å; D359-L362 PolarHBondContact O-N 3.45Å; D359-L362 VanDerWaalsContact O-N 3.13Å | ||
| 360 | S | 95.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -67.4 | -15.6 | 180 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | D248 V249 G250 T260 L362 L363 | D248-S360 PolarHBondContact OD1-OG 3.19Å; V249-S360 WeakPolarHBondContact CG2-OG 3.34Å; V249-S360 PolarHBondContact N-OG 3.08Å; G250-S360 PolarHBondContact N-OG 2.91Å; G250-S360 VanDerWaalsContact N-OG 3.1Å; G250-S360 CarbonylContact O-C 3.29Å; G250-S360 VanDerWaalsContact O-C 3.29Å; G250-S360 WeakPolarHBondContact O-CB 3.43Å; G250-S360 PolarHBondContact O-OG 2.78Å; T260-S360 VanDerWaalsContact OG1-CB 3.22Å; T260-S360 WeakPolarHBondContact OG1-CB 3.27Å; S360-L362 PolarHBondContact O-N 3.18Å; S360-L363 WeakPolarHBondContact O-CB 3.24Å; S360-L363 WeakPolarHBondContact O-CG 3.42Å; S360-L363 PolarHBondContact O-N 3.09Å |
| 361 | K | 94.9 | Very high | 93.5 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -72.1 | -14.5 | 173.1 | -65.3 | 177.8 | 179.4 | 175.6 | 0 | 113 | V249 G250 R252 D359 | V249-K361 HydrophobicContact CG2-CG 4.23Å; G250-K361 WeakPolarHBondContact O-CG 3.26Å; G250-K361 PolarHBondContact O-N 2.85Å; R252-K361 HydrophobicContact CB-CB 4.28Å; R252-K361 WeakPolarHBondContact CB-O 3.49Å; D359-K361 PolarHBondContact O-N 2.82Å; D359-K361 VanDerWaalsContact OD1-CB 3.29Å; D359-K361 WeakPolarHBondContact OD1-CB 3.46Å; D359-K361 PolarHBondContact OD1-N 2.86Å |
| 362 | L | 94.6 | Very high | 93.7 | Very high | 144 Ų | 144 | 59.5 Ų | 59.5 | 75% | 0.754 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -86.7 | -6.3 | 176.1 | -59.2 | 179.2 | 0 | 0 | 0 | 113.2 | D359 S360 | D359-L362 HydrophobicContact CB-CD1 3.99Å; D359-L362 HydrophobicContact CB-CG 3.99Å; D359-L362 WeakPolarHBondContact O-CB 3.45Å; D359-L362 PolarHBondContact O-N 3.45Å; D359-L362 VanDerWaalsContact O-N 3.13Å; S360-L362 PolarHBondContact O-N 3.18Å |
| 363 | L | 94.2 | Very high | 93.7 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -63.6 | 142.4 | 173.4 | -66 | 173.6 | 0 | 0 | 0 | 110.4 | T260 V351 V357 S360 D367 L368 | T260-L363 HydrophobicContact CG2-CD1 4.38Å; V351-L363 HydrophobicContact CG1-CD2 4Å; V357-L363 HydrophobicContact CG1-CD2 4.39Å; V357-L363 HydrophobicContact CG2-CD1 4.48Å; V357-L363 HydrophobicContact CG2-CD2 4.48Å; V357-L363 HydrophobicContact CG2-CG 4.45Å; S360-L363 WeakPolarHBondContact O-CB 3.24Å; S360-L363 WeakPolarHBondContact O-CG 3.42Å; S360-L363 PolarHBondContact O-N 3.09Å; L363-D367 HydrophobicContact CB-CB 4.49Å; L363-L368 HydrophobicContact CB-CD2 3.98Å; L363-L368 HydrophobicContact CB-CG 4.06Å; L363-L368 HydrophobicContact CD1-CD2 3.98Å |
| 364 | S | 94.4 | Very high | 93.8 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | trans | -72.6 | 156.2 | 178.9 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | A366 D367 L368 | S364-A366 PolarHBondContact O-N 2.89Å; S364-D367 WeakPolarHBondContact CB-OD2 3.21Å; S364-D367 PolarHBondContact N-OD2 3.2Å; S364-D367 VanDerWaalsContact N-OD2 3.1Å; S364-D367 PolarHBondContact O-N 2.69Å; S364-D367 VanDerWaalsContact O-N 3.09Å; S364-D367 PolarHBondContact OG-N 3.21Å; S364-D367 PolarHBondContact OG-OD1 2.84Å; S364-D367 PolarHBondContact OG-OD2 2.6Å; S364-L368 WeakPolarHBondContact O-CG 3.34Å; S364-L368 PolarHBondContact O-N 2.92Å | ||
| 365 | D | 93.1 | Very high | 94 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.3 | -26.3 | 176.4 | -73.8 | -24.1 | 0 | 0 | 0 | 111.9 | H369 | D365-H369 VanDerWaalsContact O-CB 3.28Å; D365-H369 WeakPolarHBondContact O-CB 3.42Å; D365-H369 PolarHBondContact O-N 3.12Å |
| 366 | A | 92.8 | Very high | 94.2 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 59% | 0.587 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -69 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S364 L368 H369 F370 | S364-A366 PolarHBondContact O-N 2.89Å; A366-L368 VanDerWaalsContact C-N 3.35Å; A366-H369 PolarHBondContact O-N 3.43Å; A366-F370 PolarHBondContact O-N 2.85Å |
| 367 | D | 93.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.5 | -55.2 | -40.5 | 0 | 0 | 0 | 110.5 | P349 L363 S364 H369 F370 V371 | P349-D367 WeakPolarHBondContact CB-OD1 3.43Å; L363-D367 HydrophobicContact CB-CB 4.49Å; S364-D367 WeakPolarHBondContact CB-OD2 3.21Å; S364-D367 PolarHBondContact N-OD2 3.2Å; S364-D367 VanDerWaalsContact N-OD2 3.1Å; S364-D367 PolarHBondContact O-N 2.69Å; S364-D367 VanDerWaalsContact O-N 3.09Å; S364-D367 PolarHBondContact OG-N 3.21Å; S364-D367 PolarHBondContact OG-OD1 2.84Å; S364-D367 PolarHBondContact OG-OD2 2.6Å; D367-H369 VanDerWaalsContact C-N 3.34Å; D367-H369 PolarHBondContact O-N 3.27Å; D367-F370 WeakPolarHBondContact O-CB 3.28Å; D367-F370 PolarHBondContact O-N 3.08Å; D367-V371 WeakPolarHBondContact O-CG2 3.49Å; D367-V371 PolarHBondContact O-N 2.8Å |
| 368 | L | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 178.4 | -65.2 | 173.8 | 0 | 0 | 0 | 112 | L254 L255 T260 L363 S364 A366 V371 K372 | L254-L368 HydrophobicContact CB-CB 4.17Å; L254-L368 HydrophobicContact CB-CD1 4.14Å; L254-L368 HydrophobicContact CD2-CB 3.83Å; L254-L368 HydrophobicContact CG-CB 4.28Å; L255-L368 HydrophobicContact CD1-CB 4.47Å; L255-L368 HydrophobicContact CD1-CD2 4.22Å; T260-L368 HydrophobicContact CG2-CD2 3.47Å; T260-L368 VanDerWaalsContact CG2-CD2 3.47Å; L363-L368 HydrophobicContact CB-CD2 3.98Å; L363-L368 HydrophobicContact CB-CG 4.06Å; L363-L368 HydrophobicContact CD1-CD2 3.98Å; S364-L368 WeakPolarHBondContact O-CG 3.34Å; S364-L368 PolarHBondContact O-N 2.92Å; A366-L368 VanDerWaalsContact C-N 3.35Å; L368-V371 PolarHBondContact O-N 3.25Å; L368-K372 WeakPolarHBondContact O-CB 3.02Å; L368-K372 PolarHBondContact O-N 3.41Å |
| 369 | H | 94.1 | Very high | 94.6 | Very high | 112 Ų | 112 | 47.9 Ų | 47.9 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 173.1 | -178.8 | -85.9 | 0 | 0 | 0 | 111.5 | L254 D365 A366 D367 K372 T373 | L254-H369 HydrophobicContact CD2-CB 4.28Å; D365-H369 VanDerWaalsContact O-CB 3.28Å; D365-H369 WeakPolarHBondContact O-CB 3.42Å; D365-H369 PolarHBondContact O-N 3.12Å; A366-H369 PolarHBondContact O-N 3.43Å; D367-H369 VanDerWaalsContact C-N 3.34Å; D367-H369 PolarHBondContact O-N 3.27Å; H369-K372 PolarHBondContact O-N 2.88Å; H369-T373 PolarHBondContact O-N 2.78Å; H369-T373 PolarHBondContact O-OG1 2.76Å |
| 370 | F | 94.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -51.4 | 174.3 | -173.6 | -79.5 | 0 | 0 | 0 | 111.1 | F330 L343 E347 P349 P353 A366 D367 K372 T373 H374 | F330-F370 HydrophobicContact CB-CZ 4.3Å; F330-F370 HydrophobicContact CD1-CE1 4.31Å; F330-F370 AromaticContact CD2-CE1 3.91Å; F330-F370 HydrophobicContact CD2-CE1 3.91Å; F330-F370 AromaticContact CD2-CZ 3.8Å; F330-F370 HydrophobicContact CD2-CZ 3.8Å; F330-F370 HydrophobicContact CE2-CE1 4.12Å; F330-F370 HydrophobicContact CE2-CZ 4.35Å; F330-F370 HydrophobicContact CG-CE1 4.02Å; F330-F370 HydrophobicContact CG-CZ 4.03Å; F330-F370 HydrophobicContact CZ-CE1 4.42Å; L343-F370 HydrophobicContact CD1-CE2 4.1Å; L343-F370 HydrophobicContact CD1-CZ 4.04Å; E347-F370 WeakPolarHBondContact O-CE2 3.39Å; P349-F370 HydrophobicContact CG-CB 3.69Å; P349-F370 HydrophobicContact CG-CD1 4.04Å; P349-F370 HydrophobicContact CG-CD2 3.91Å; P349-F370 HydrophobicContact CG-CG 3.6Å; P353-F370 HydrophobicContact CB-CD1 4.23Å; P353-F370 HydrophobicContact CB-CE1 4.38Å; P353-F370 HydrophobicContact CG-CD1 3.43Å; P353-F370 VanDerWaalsContact CG-CD1 3.43Å; P353-F370 HydrophobicContact CG-CE1 3.66Å; P353-F370 HydrophobicContact CG-CG 4.41Å; A366-F370 PolarHBondContact O-N 2.85Å; D367-F370 WeakPolarHBondContact O-CB 3.28Å; D367-F370 PolarHBondContact O-N 3.08Å; F370-K372 VanDerWaalsContact C-N 3.27Å; F370-K372 PolarHBondContact O-N 2.88Å; F370-T373 PolarHBondContact O-N 2.79Å; F370-T373 PolarHBondContact O-OG1 3.47Å; F370-H374 HydrophobicContact CD1-CB 3.97Å; F370-H374 AromaticContact CD2-ND1 3.77Å; F370-H374 HydrophobicContact CE1-CB 3.59Å; F370-H374 HydrophobicContact CE2-CB 4.37Å; F370-H374 AromaticContact CE2-ND1 3.87Å; F370-H374 HydrophobicContact CZ-CB 3.83Å; F370-H374 WeakPolarHBondContact O-CB 3.36Å; F370-H374 PolarHBondContact O-N 3.06Å; F370-H374 PolarHBondContact O-ND1 2.98Å |
| 371 | V | 93.9 | Very high | 94.8 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.1 | -46.6 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 111 | W202 L255 T260 P353 D367 L368 T373 | W202-V371 HydrophobicContact CZ2-CG1 4.39Å; L255-V371 HydrophobicContact CD1-CB 4.28Å; L255-V371 HydrophobicContact CD1-CG1 3.91Å; T260-V371 VanDerWaalsContact O-CG1 3.29Å; T260-V371 WeakPolarHBondContact O-CG1 3.38Å; T260-V371 WeakPolarHBondContact O-CG2 3.39Å; P353-V371 HydrophobicContact CB-CG2 3.91Å; P353-V371 HydrophobicContact CG-CG2 4.39Å; D367-V371 WeakPolarHBondContact O-CG2 3.49Å; D367-V371 PolarHBondContact O-N 2.8Å; L368-V371 PolarHBondContact O-N 3.25Å; V371-T373 PolarHBondContact O-N 2.85Å |
| 372 | K | 93.8 | Very high | 94.7 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | 179.1 | -176.2 | 176.3 | 178.7 | -174.5 | 0 | 112.9 | I196 W202 L254 L255 L368 H369 F370 | I196-K372 HydrophobicContact CD1-CD 4.37Å; I196-K372 HydrophobicContact CD1-CG 3.84Å; W202-K372 PolarHBondContact NE1-O 2.97Å; L254-K372 HydrophobicContact CD1-CD 4.49Å; L255-K372 HydrophobicContact CD2-CB 4.27Å; L255-K372 HydrophobicContact CD2-CD 4.4Å; L255-K372 HydrophobicContact CD2-CG 4.36Å; L368-K372 WeakPolarHBondContact O-CB 3.02Å; L368-K372 PolarHBondContact O-N 3.41Å; H369-K372 PolarHBondContact O-N 2.88Å; F370-K372 VanDerWaalsContact C-N 3.27Å; F370-K372 PolarHBondContact O-N 2.88Å |
| 373 | T | 93 | Very high | 94.6 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -102.8 | -17.1 | -170.9 | 49.8 | 0 | 0 | 0 | 0 | 114.4 | H369 F370 V371 | H369-T373 PolarHBondContact O-N 2.78Å; H369-T373 PolarHBondContact O-OG1 2.76Å; F370-T373 PolarHBondContact O-N 2.79Å; F370-T373 PolarHBondContact O-OG1 3.47Å; V371-T373 PolarHBondContact O-N 2.85Å |
| 374 | H | 94.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | trans | -135.4 | 64.3 | -171 | -60.5 | 97.4 | 0 | 0 | 0 | 112.8 | F330 L343 F370 | F330-H374 HydrophobicContact CB-CB 4.47Å; F330-H374 WeakPolarHBondContact CD1-O 3.13Å; L343-H374 WeakPolarHBondContact CD1-CD2 3.39Å; F370-H374 HydrophobicContact CD1-CB 3.97Å; F370-H374 AromaticContact CD2-ND1 3.77Å; F370-H374 HydrophobicContact CE1-CB 3.59Å; F370-H374 HydrophobicContact CE2-CB 4.37Å; F370-H374 AromaticContact CE2-ND1 3.87Å; F370-H374 HydrophobicContact CZ-CB 3.83Å; F370-H374 WeakPolarHBondContact O-CB 3.36Å; F370-H374 PolarHBondContact O-N 3.06Å; F370-H374 PolarHBondContact O-ND1 2.98Å | ||
| 375 | A | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | trans | -86.2 | -12.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F262 L263 K264 | F262-A375 HydrophobicContact CD1-CB 4.09Å; F262-A375 HydrophobicContact CE1-CB 4.17Å; L263-A375 WeakPolarHBondContact CA-O 2.96Å; K264-A375 PolarHBondContact N-O 2.84Å | ||
| 376 | L | 96.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.4 | -173 | -178.5 | 63.2 | 0 | 0 | 0 | 111.7 | E229 K264 K331 W340 | E229-L376 HydrophobicContact CB-CD2 4.11Å; E229-L376 HydrophobicContact CG-CD2 4.29Å; K264-L376 HydrophobicContact CG-CD1 4.1Å; K264-L376 WeakPolarHBondContact O-CA 3.09Å; K331-L376 HydrophobicContact CB-CB 4.41Å; K331-L376 HydrophobicContact CB-CD2 4.12Å; K331-L376 HydrophobicContact CB-CG 4.15Å; K331-L376 HydrophobicContact CD-CD2 4.28Å; K331-L376 PolarHBondContact N-O 3.05Å; W340-L376 HydrophobicContact CE3-CD2 4.16Å; W340-L376 HydrophobicContact CZ3-CB 4.39Å; W340-L376 HydrophobicContact CZ3-CD2 4.09Å |
| 377 | M | 97 | Very high | 90.8 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 150.8 | 173.4 | -49.3 | -53.7 | -64.9 | 0 | 0 | 112.3 | L263 K264 V324 F325 S328 F330 | L263-M377 HydrophobicContact CB-SD 4.42Å; L263-M377 HydrophobicContact CD1-SD 3.91Å; L263-M377 HydrophobicContact CD2-SD 4.41Å; K264-M377 WeakPolarHBondContact O-CG 3.2Å; K264-M377 PolarHBondContact O-N 2.63Å; V324-M377 HydrophobicContact CG1-CB 4.39Å; F325-M377 HydrophobicContact CD1-CG 3.9Å; F325-M377 HydrophobicContact CD1-SD 4.27Å; F325-M377 HydrophobicContact CE1-CG 4.19Å; S328-M377 VanDerWaalsContact O-CE 3.25Å; S328-M377 WeakPolarHBondContact O-CE 3.44Å; F330-M377 HydrophobicContact CD1-CE 4.34Å; F330-M377 HydrophobicContact CD1-SD 3.88Å; F330-M377 HydrophobicContact CE1-CE 4.1Å; F330-M377 HydrophobicContact CE1-SD 3.71Å; F330-M377 HydrophobicContact CZ-CE 4.45Å |
| 378 | E | 95.5 | Very high | 88.8 | Confident | 63 Ų | 63 | 37.2 Ų | 37.2 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -66.8 | -58.4 | 175.1 | 179.1 | -166.9 | -163.7 | 0 | 0 | 112.8 | N329 K331 S342 | N329-E378 HydrophobicContact CB-CB 4.31Å; N329-E378 WeakPolarHBondContact CB-OE2 3.47Å; N329-E378 PolarHBondContact ND2-OE2 3.34Å; N329-E378 WeakPolarHBondContact O-CB 3.42Å; N329-E378 PolarHBondContact O-N 2.64Å; K331-E378 WeakPolarHBondContact CE-O 3.34Å; K331-E378 HydrophobicContact CG-CB 4.22Å; K331-E378 PolarHBondContact NZ-O 3.35Å; S342-E378 WeakPolarHBondContact CB-OE1 3.46Å; S342-E378 PolarHBondContact OG-OE1 3Å; S342-E378 PolarHBondContact OG-OE2 2.94Å |
| 379 | K | 96.4 | Very high | 86.7 | Confident | 116 Ų | 116 | 39.6 Ų | 39.6 | 50% | 0.504 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -76.7 | 131.3 | -174.5 | -68.3 | -174.8 | 175.7 | -177.8 | 0 | 110.4 | T265 V324 S328 | T265-K379 PolarHBondContact OG1-O 2.63Å; V324-K379 HydrophobicContact CG1-CB 4.41Å; V324-K379 WeakPolarHBondContact CG1-O 3.44Å; S328-K379 WeakPolarHBondContact OG-CB 3.47Å; S328-K379 PolarHBondContact OG-N 2.88Å |
| 380 | S | 95.7 | Very high | 85 | Confident | 52 Ų | 52 | 42.3 Ų | 42.3 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -78.7 | 149.7 | 168 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | R266 | R266-S380 CarbonylContact O-C 3.55Å; R266-S380 WeakPolarHBondContact O-CA 3.34Å; R266-S380 WeakPolarHBondContact O-CB 3.45Å |
| 381 | I | 97.2 | Very high | 83.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 123.6 | 169.4 | -58.9 | 153.9 | 0 | 0 | 0 | 108.2 | V241 T265 R266 I267 N268 Y316 I321 V324 | V241-I381 HydrophobicContact CB-CD1 4.02Å; V241-I381 HydrophobicContact CG2-CD1 3.95Å; T265-I381 HydrophobicContact CG2-CD1 3.33Å; T265-I381 HydrophobicContact CG2-CG1 3.79Å; R266-I381 PolarHBondContact O-N 3.28Å; I267-I381 HydrophobicContact CB-CB 4.46Å; I267-I381 HydrophobicContact CG1-CB 4.21Å; I267-I381 HydrophobicContact CG1-CG2 4.37Å; N268-I381 PolarHBondContact N-O 2.82Å; Y316-I381 HydrophobicContact CD1-CG2 3.67Å; Y316-I381 HydrophobicContact CE1-CG2 4.3Å; Y316-I381 HydrophobicContact CG-CG2 4.45Å; I321-I381 HydrophobicContact CB-CD1 4.32Å; I321-I381 HydrophobicContact CG1-CD1 3.88Å; I321-I381 HydrophobicContact CG1-CG1 4.42Å; I321-I381 HydrophobicContact CG1-CG2 4.11Å; I321-I381 HydrophobicContact CG2-CD1 4.18Å; V324-I381 HydrophobicContact CB-CG1 4.32Å; V324-I381 HydrophobicContact CG1-CG1 4.43Å; V324-I381 HydrophobicContact CG2-CG1 4.14Å |
| 382 | A | 93.7 | Very high | 82.6 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 154.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y316 V392 | Y316-A382 WeakPolarHBondContact CD1-O 3.4Å; A382-V392 HydrophobicContact CB-CG1 4.34Å |
| 383 | P | 93.1 | Very high | 82.3 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 5% | 0.045 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -69 | 158.9 | 174.4 | 31.3 | -33.3 | 0 | 0 | 0 | 110.5 | N268 C314 I315 Y316 V392 | N268-P383 WeakPolarHBondContact O-CD 3.39Å; C314-P383 HydrophobicContact CB-CB 3.99Å; I315-P383 CarbonylContact O-C 3.55Å; I315-P383 VanDerWaalsContact O-CA 3.27Å; I315-P383 WeakPolarHBondContact O-CA 3.36Å; Y316-P383 HydrophobicContact CD1-CB 4.47Å; Y316-P383 HydrophobicContact CE1-CB 4.05Å; P383-V392 HydrophobicContact CG-CG1 3.78Å |
| 384 | I | 88.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 134.6 | 173.8 | -62.6 | 174 | 0 | 0 | 0 | 108.9 | F296 I315 Y442 | F296-I384 HydrophobicContact CD1-CD1 3.5Å; F296-I384 VanDerWaalsContact CD1-CD1 3.5Å; F296-I384 HydrophobicContact CE1-CD1 3.47Å; F296-I384 VanDerWaalsContact CE1-CD1 3.47Å; I315-I384 HydrophobicContact CG2-CD1 3.93Å; I315-I384 PolarHBondContact O-N 3.03Å; I384-Y442 HydrophobicContact CD1-CE2 4.22Å; I384-Y442 HydrophobicContact CG2-CD2 4.09Å |
| 385 | P | 79.8 | Confident | 82.1 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 141.6 | 177.5 | -21.6 | 32 | 0 | 0 | 0 | 112.2 | L441 | P385-L441 HydrophobicContact CB-CD2 4.35Š|
| 386 | S | 67.2 | Low | 81.9 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -91.2 | 157.1 | 168.1 | 73.5 | 0 | 0 | 0 | 0 | 110.8 | A388 Y442 | S386-A388 PolarHBondContact O-N 3.25Å; S386-Y442 CarbonylContact C-O 3.56Å; S386-Y442 WeakPolarHBondContact CA-O 3.47Å; S386-Y442 WeakPolarHBondContact CB-O 3.47Å |
| 387 | Q | 56.9 | Low | 81.8 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 33% | 0.327 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -66.8 | -14.5 | 174 | -77.4 | -161.6 | -23.5 | 0 | 0 | 113.5 | G389 D438 L441 Y442 Q443 | Q387-G389 PolarHBondContact O-N 3.42Å; Q387-D438 PolarHBondContact NE2-OD2 3.04Å; Q387-L441 HydrophobicContact CG-CB 3.47Å; Q387-L441 VanDerWaalsContact CG-CB 3.47Å; Q387-L441 HydrophobicContact CG-CD1 3.85Å; Q387-L441 HydrophobicContact CG-CG 4.32Å; Q387-Y442 PolarHBondContact N-O 3.04Å; Q387-Q443 HydrophobicContact CB-CG 4.49Å; Q387-Q443 VanDerWaalsContact OE1-NE2 3.15Å |
| 388 | A | 52.2 | Low | 81.5 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -79.9 | 67.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S386 | S386-A388 PolarHBondContact O-N 3.25Š|
| 389 | G | 50.9 | Low | 81.4 | Confident | 50 Ų | 50 | 58 Ų | 58 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 82.4 | -175.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q387 H391 | Q387-G389 PolarHBondContact O-N 3.42Å; G389-H391 PolarHBondContact O-N 2.99Å |
| 390 | D | 58.2 | Low | 81.1 | Confident | 169 Ų | 169 | 57.7 Ų | 57.7 | 90% | 0.904 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -65.7 | 19 | 175.3 | -69 | -34.9 | 0 | 0 | 0 | 113.4 | V392 | D390-V392 PolarHBondContact O-N 3.47Š|
| 391 | H | 63.4 | Low | 81.1 | Confident | 120 Ų | 120 | 56 Ų | 56 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | trans | -92.8 | 99.9 | -171.9 | -64.3 | -40.3 | 0 | 0 | 0 | 111.2 | G389 | G389-H391 PolarHBondContact O-N 2.99Š| ||
| 392 | V | 76 | Confident | 81.1 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 35% | 0.345 | 31% | 0.313 | S | S | . | . | trans | -76.2 | 123.8 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | S272 A382 P383 D390 | S272-V392 PolarHBondContact OG-O 2.99Å; A382-V392 HydrophobicContact CB-CG1 4.34Å; P383-V392 HydrophobicContact CG-CG1 3.78Å; D390-V392 PolarHBondContact O-N 3.47Å | ||
| 393 | G | 86.6 | Confident | 81.3 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 179.7 | -171.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S270 | S270-G393 WeakPolarHBondContact O-CA 3.31Š|
| 394 | P | 92.4 | Very high | 81.5 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.071 | 30% | 0.299 | C | S | . | . | trans | -66.6 | 142.1 | 177 | 28.3 | -35.2 | 0 | 0 | 0 | 112 | S270 L271 A312 I313 C314 F396 Y397 | S270-P394 VanDerWaalsContact O-CD 3.29Å; S270-P394 WeakPolarHBondContact O-CD 3.25Å; L271-P394 HydrophobicContact CD2-CG 3.61Å; L271-P394 HydrophobicContact CG-CG 4.44Å; A312-P394 HydrophobicContact CB-CB 3.76Å; A312-P394 HydrophobicContact CB-CG 4.16Å; I313-P394 CarbonylContact O-C 3.57Å; I313-P394 VanDerWaalsContact O-CA 3.29Å; I313-P394 WeakPolarHBondContact O-CA 3.49Å; I313-P394 WeakPolarHBondContact O-CB 3.25Å; C314-P394 VanDerWaalsContact SG-CA 3.55Å; P394-F396 VanDerWaalsContact C-N 3.27Å; P394-Y397 HydrophobicContact CG-CD1 4.11Å | ||
| 395 | I | 90.3 | Very high | 81.9 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.046 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -70.5 | -27.8 | 172.2 | 52.3 | 150.9 | 0 | 0 | 0 | 111.5 | I313 I315 I421 T435 G445 | I313-I395 HydrophobicContact CB-CD1 4.4Å; I313-I395 HydrophobicContact CB-CG1 4.16Å; I313-I395 HydrophobicContact CG2-CD1 3.94Å; I313-I395 HydrophobicContact CG2-CG1 4.09Å; I313-I395 WeakPolarHBondContact O-CG1 3.49Å; I313-I395 PolarHBondContact O-N 2.83Å; I315-I395 HydrophobicContact CD1-CD1 3.81Å; I315-I395 HydrophobicContact CD1-CG1 4.37Å; I315-I395 HydrophobicContact CD1-CG2 3.97Å; I315-I395 HydrophobicContact CG1-CD1 3.94Å; I315-I395 HydrophobicContact CG1-CG1 4.22Å; I315-I395 HydrophobicContact CG1-CG2 4.26Å; I395-I421 HydrophobicContact CD1-CD1 3.25Å; I395-T435 HydrophobicContact CD1-CG2 3.91Å; I395-G445 WeakPolarHBondContact O-CA 2.97Å; I395-G445 PolarHBondContact O-N 3.13Å |
| 396 | F | 92.4 | Very high | 82.8 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 138 | 178.3 | 177.3 | -95.4 | 0 | 0 | 0 | 108.8 | A312 I313 P394 K398 L403 Y431 I433 L447 | A312-F396 CarbonylContact C-O 3.58Å; A312-F396 VanDerWaalsContact CA-O 3.24Å; A312-F396 WeakPolarHBondContact CA-O 3.44Å; I313-F396 HydrophobicContact CB-CB 4.39Å; I313-F396 HydrophobicContact CD1-CB 4.46Å; I313-F396 HydrophobicContact CD1-CD1 4.14Å; I313-F396 HydrophobicContact CG1-CD1 4.33Å; I313-F396 PolarHBondContact N-O 2.85Å; P394-F396 VanDerWaalsContact C-N 3.27Å; F396-K398 HydrophobicContact CE1-CB 3.98Å; F396-K398 HydrophobicContact CZ-CB 4.04Å; F396-L403 HydrophobicContact CD1-CD1 4.33Å; F396-L403 HydrophobicContact CE1-CD1 4.28Å; F396-Y431 HydrophobicContact CZ-CD1 4.23Å; F396-I433 HydrophobicContact CB-CD1 4.26Å; F396-I433 HydrophobicContact CB-CG2 4.2Å; F396-I433 HydrophobicContact CD1-CD1 3.44Å; F396-I433 VanDerWaalsContact CD1-CD1 3.44Å; F396-I433 HydrophobicContact CD1-CG1 4.38Å; F396-I433 HydrophobicContact CD2-CD1 3.89Å; F396-I433 HydrophobicContact CD2-CG1 3.95Å; F396-I433 HydrophobicContact CD2-CG2 4.06Å; F396-I433 HydrophobicContact CE1-CD1 3.62Å; F396-I433 HydrophobicContact CE1-CG1 4.42Å; F396-I433 HydrophobicContact CE2-CD1 4.06Å; F396-I433 HydrophobicContact CE2-CG1 4.01Å; F396-I433 HydrophobicContact CG-CD1 3.58Å; F396-I433 HydrophobicContact CG-CG1 4.14Å; F396-I433 HydrophobicContact CG-CG2 4.25Å; F396-I433 HydrophobicContact CZ-CD1 3.92Å; F396-I433 HydrophobicContact CZ-CG1 4.24Å; F396-L447 HydrophobicContact CE2-CB 4.19Å |
| 397 | Y | 93.1 | Very high | 84.2 | Confident | 133 Ų | 133 | 53 Ų | 53 | 52% | 0.522 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 148.2 | 170.9 | 66.6 | -82.9 | 0 | 0 | 0 | 110.4 | L271 S311 P394 | L271-Y397 HydrophobicContact CD1-CD2 4.27Å; L271-Y397 HydrophobicContact CD1-CE2 4.19Å; L271-Y397 HydrophobicContact CD2-CD1 3.78Å; L271-Y397 HydrophobicContact CD2-CD2 4.47Å; L271-Y397 HydrophobicContact CD2-CE1 3.78Å; L271-Y397 HydrophobicContact CD2-CE2 4.48Å; L271-Y397 HydrophobicContact CD2-CG 4.14Å; S311-Y397 CarbonylContact O-C 3.54Å; S311-Y397 WeakPolarHBondContact O-CA 3.17Å; P394-Y397 HydrophobicContact CG-CD1 4.11Å |
| 398 | K | 92.5 | Very high | 86 | Confident | 70 Ų | 70 | 50 Ų | 50 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 130.3 | 180 | -165.4 | 67.5 | 175.4 | -178 | 0 | 110.5 | G310 S311 F396 V401 | G310-K398 VanDerWaalsContact CA-O 3.31Å; G310-K398 WeakPolarHBondContact CA-O 3.31Å; S311-K398 PolarHBondContact N-O 2.77Å; S311-K398 PolarHBondContact O-N 2.85Å; F396-K398 HydrophobicContact CE1-CB 3.98Å; F396-K398 HydrophobicContact CZ-CB 4.04Å; K398-V401 HydrophobicContact CB-CB 4.14Å; K398-V401 HydrophobicContact CB-CG2 4.34Å; K398-V401 HydrophobicContact CG-CB 3.96Å; K398-V401 HydrophobicContact CG-CG2 3.6Å |
| 399 | K | 91.8 | Very high | 87.8 | Confident | 129 Ų | 129 | 48.4 Ų | 48.4 | 56% | 0.561 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 146.8 | 172.9 | -166.6 | -166.4 | 166.9 | -176.3 | 0 | 110.1 | V401 | K399-V401 PolarHBondContact O-N 2.92Å; K399-V401 VanDerWaalsContact O-N 3.1Å |
| 400 | D | 91.7 | Very high | 89.6 | Confident | 110 Ų | 110 | 47.8 Ų | 47.8 | 59% | 0.588 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 17.3 | 174.9 | -51.6 | -46.8 | 0 | 0 | 0 | 114 | S309 | S309-D400 WeakPolarHBondContact O-CA 3.47Å; S309-D400 PolarHBondContact O-N 2.72Å |
| 401 | V | 95.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 40.3 Ų | 40.3 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | trans | -122.7 | 129 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | G310 S311 K398 K399 L403 T425 Y431 | G310-V401 CarbonylContact C-O 3.5Å; S311-V401 VanDerWaalsContact CB-O 3.28Å; S311-V401 WeakPolarHBondContact CB-O 3.29Å; S311-V401 PolarHBondContact N-O 2.79Å; S311-V401 VanDerWaalsContact N-O 3.11Å; S311-V401 PolarHBondContact OG-O 2.62Å; K398-V401 HydrophobicContact CB-CB 4.14Å; K398-V401 HydrophobicContact CB-CG2 4.34Å; K398-V401 HydrophobicContact CG-CB 3.96Å; K398-V401 HydrophobicContact CG-CG2 3.6Å; K399-V401 PolarHBondContact O-N 2.92Å; K399-V401 VanDerWaalsContact O-N 3.1Å; V401-L403 HydrophobicContact CG1-CD2 3.93Å; V401-L403 HydrophobicContact CG1-CG 4.4Å; V401-T425 HydrophobicContact CG1-CG2 3.89Å; V401-Y431 HydrophobicContact CG1-CE1 4.35Å; V401-Y431 HydrophobicContact CG1-CE2 3.91Å; V401-Y431 WeakPolarHBondContact CG2-OH 3.4Å | ||
| 402 | I | 97.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | trans | -110.4 | 102.8 | 178.9 | -59.9 | -58 | 0 | 0 | 0 | 108.8 | T302 L305 S311 T404 T425 N426 | T302-I402 HydrophobicContact CG2-CD1 4.12Å; T302-I402 HydrophobicContact CG2-CG2 3.89Å; L305-I402 HydrophobicContact CD2-CD1 3.65Å; L305-I402 HydrophobicContact CD2-CG1 4.06Å; S311-I402 WeakPolarHBondContact OG-CA 3.27Å; I402-T404 HydrophobicContact CG2-CG2 4.24Å; I402-T425 WeakPolarHBondContact O-CA 3.22Å; I402-T425 WeakPolarHBondContact O-CB 2.94Å; I402-N426 HydrophobicContact CB-CB 4.39Å; I402-N426 HydrophobicContact CG2-CB 4.2Å; I402-N426 PolarHBondContact O-N 3.17Å; I402-N426 VanDerWaalsContact O-N 3.12Å | ||
| 403 | L | 98 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.5 | 175.1 | -60.3 | -178.9 | 0 | 0 | 0 | 110 | T300 S311 I313 F396 V401 A423 G424 T425 Y431 | T300-L403 HydrophobicContact CG2-CB 4.48Å; T300-L403 WeakPolarHBondContact OG1-CB 3.48Å; S311-L403 PolarHBondContact OG-N 3.2Å; I313-L403 HydrophobicContact CD1-CD1 3.8Å; I313-L403 HydrophobicContact CG1-CD1 3.72Å; F396-L403 HydrophobicContact CD1-CD1 4.33Å; F396-L403 HydrophobicContact CE1-CD1 4.28Å; V401-L403 HydrophobicContact CG1-CD2 3.93Å; V401-L403 HydrophobicContact CG1-CG 4.4Å; L403-A423 HydrophobicContact CD1-CB 4.02Å; L403-A423 HydrophobicContact CD2-CB 3.72Å; L403-A423 HydrophobicContact CG-CB 4.33Å; L403-G424 CarbonylContact C-O 3.49Å; L403-G424 WeakPolarHBondContact CA-O 3.49Å; L403-T425 HydrophobicContact CD2-CG2 3.96Å; L403-Y431 HydrophobicContact CD2-CD2 4.21Å; L403-Y431 HydrophobicContact CD2-CG 4.39Å |
| 404 | T | 97.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -26.4 | -172.1 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | D284 I402 G424 N426 V459 | D284-T404 WeakPolarHBondContact CB-O 3.45Å; I402-T404 HydrophobicContact CG2-CG2 4.24Å; T404-G424 PolarHBondContact N-O 3.42Å; T404-G424 PolarHBondContact OG1-O 2.86Å; T404-N426 HydrophobicContact CG2-CB 3.95Å; T404-V459 PolarHBondContact OG1-O 2.9Å |
| 405 | K | 98 | Very high | 89.8 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 21% | 0.213 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 148.2 | -176.2 | -66.3 | -64.5 | 163.8 | -147.7 | 0 | 112.4 | D284 A423 G424 V459 Q460 V462 | D284-K405 HydrophobicContact CB-CD 4.44Å; D284-K405 IonicContact OD1-NZ 2.8Å; D284-K405 PolarHBondContact OD1-NZ 2.82Å; D284-K405 VanDerWaalsContact OD2-CA 3.31Å; D284-K405 WeakPolarHBondContact OD2-CA 3.31Å; K405-A423 CarbonylContact O-C 3.58Å; K405-A423 VanDerWaalsContact O-CA 3.28Å; K405-A423 WeakPolarHBondContact O-CA 3.49Å; K405-G424 PolarHBondContact N-O 2.89Å; K405-G424 PolarHBondContact O-N 2.77Å; K405-V459 HydrophobicContact CB-CG1 4.19Å; K405-V459 HydrophobicContact CG-CG1 4.29Å; K405-Q460 WeakPolarHBondContact CE-O 3.42Å; K405-V462 HydrophobicContact CB-CB 4.38Å; K405-V462 HydrophobicContact CB-CG2 3.71Å |
| 406 | L | 97.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.6 | -179.3 | -64 | -179 | 0 | 0 | 0 | 111.6 | D284 Y286 T300 I313 I421 Y422 A423 | D284-L406 PolarHBondContact OD2-N 3.46Å; Y286-L406 WeakPolarHBondContact CD2-O 3.44Å; T300-L406 HydrophobicContact CG2-CD1 4.02Å; T300-L406 HydrophobicContact CG2-CD2 4.27Å; T300-L406 HydrophobicContact CG2-CG 3.83Å; I313-L406 HydrophobicContact CD1-CD2 4Å; I313-L406 HydrophobicContact CG2-CD1 4.49Å; L406-I421 HydrophobicContact CD2-CG2 3.86Å; L406-Y422 CarbonylContact C-O 3.52Å; L406-Y422 WeakPolarHBondContact CA-O 3.31Å; L406-A423 HydrophobicContact CD2-CB 3.6Å |
| 407 | A | 96.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.5 | 157 | 0 | 0 | 0 | 0 | 0 | 109 | Y286 Y422 V462 L464 L487 | Y286-A407 HydrophobicContact CD2-CB 4.46Å; Y286-A407 HydrophobicContact CE2-CB 4.13Å; A407-Y422 PolarHBondContact N-O 2.78Å; A407-Y422 PolarHBondContact O-N 2.74Å; A407-V462 HydrophobicContact CB-CB 4.31Å; A407-V462 HydrophobicContact CB-CG1 3.58Å; A407-L464 HydrophobicContact CB-CB 4.25Å; A407-L487 HydrophobicContact CB-CD1 4.03Å |
| 408 | V | 94.1 | Very high | 87.9 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.1 | -175.2 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | Y286 V288 Y298 V420 I421 | Y286-V408 HydrophobicContact CD1-CB 3.77Å; Y286-V408 HydrophobicContact CD1-CG2 3.86Å; Y286-V408 HydrophobicContact CE1-CB 4.08Å; Y286-V408 HydrophobicContact CG-CG2 4.32Å; V288-V408 HydrophobicContact CG2-CB 3.76Å; V288-V408 HydrophobicContact CG2-CG1 3.96Å; V288-V408 HydrophobicContact CG2-CG2 4.39Å; Y298-V408 HydrophobicContact CD1-CG1 4.44Å; Y298-V408 HydrophobicContact CD1-CG2 3.97Å; Y298-V408 HydrophobicContact CD2-CG1 4.38Å; Y298-V408 HydrophobicContact CD2-CG2 4.06Å; Y298-V408 HydrophobicContact CE1-CG1 4.17Å; Y298-V408 HydrophobicContact CE2-CG1 4.13Å; Y298-V408 HydrophobicContact CG-CG2 3.72Å; V408-V420 WeakPolarHBondContact CA-O 3.41Å; V408-I421 HydrophobicContact CG1-CG1 4.29Å; V408-I421 HydrophobicContact CG2-CG1 4.02Å; V408-I421 HydrophobicContact CG2-CG2 4.34Å |
| 409 | D | 91.5 | Very high | 87.7 | Confident | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 150.6 | 170.3 | -167.8 | 26.9 | 0 | 0 | 0 | 111 | P411 P419 V420 Y422 L464 K485 Y517 | D409-P411 WeakPolarHBondContact O-CD 3.33Å; D409-P419 CarbonylContact O-C 3.56Å; D409-P419 WeakPolarHBondContact O-CA 3.34Å; D409-V420 PolarHBondContact N-O 2.85Å; D409-V420 PolarHBondContact O-N 3.07Å; D409-Y422 HydrophobicContact CB-CE2 4.5Å; D409-L464 HydrophobicContact CB-CD1 3.79Å; D409-L464 HydrophobicContact CB-CD2 4.44Å; D409-K485 IonicContact OD1-NZ 3.08Å; D409-K485 PolarHBondContact OD1-NZ 3.31Å; D409-K485 VanDerWaalsContact OD2-CD 3.31Å; D409-K485 WeakPolarHBondContact OD2-CD 3.11Å; D409-K485 IonicContact OD2-NZ 2.67Å; D409-K485 PolarHBondContact OD2-NZ 2.08Å; D409-Y517 VanDerWaalsContact CB-OH 3.26Å; D409-Y517 WeakPolarHBondContact CB-OH 3.1Å; D409-Y517 VanDerWaalsContact CG-OH 3.3Å; D409-Y517 VanDerWaalsContact OD2-CE1 3.29Å; D409-Y517 WeakPolarHBondContact OD2-CE1 3.36Å; D409-Y517 PolarHBondContact OD2-OH 2.83Å |
| 410 | L | 87.5 | Confident | 87.6 | Confident | 37 Ų | 37 | 34.9 Ų | 34.9 | 19% | 0.194 | 20% | 0.202 | C | C | . | . | trans | -119.2 | 68.3 | 177.5 | -64 | -174.8 | 0 | 0 | 0 | 111.2 | V288 N290 P419 | V288-L410 HydrophobicContact CG1-CD1 3.26Å; V288-L410 HydrophobicContact CG1-CD2 4.17Å; V288-L410 HydrophobicContact CG1-CG 3.67Å; N290-L410 HydrophobicContact CB-CD1 4.46Å; L410-P419 HydrophobicContact CD2-CB 3.59Å; L410-P419 HydrophobicContact CD2-CG 3.68Å | ||
| 411 | P | 83.6 | Confident | 87.8 | Confident | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | trans | -64 | 138.6 | 172.5 | 27.7 | -33.7 | 0 | 0 | 0 | 110.8 | D409 F418 V420 P516 Y517 | D409-P411 WeakPolarHBondContact O-CD 3.33Å; P411-F418 WeakPolarHBondContact CD-O 3.49Å; P411-F418 HydrophobicContact CG-CB 4.23Å; P411-F418 WeakPolarHBondContact CG-O 3.23Å; P411-F418 PolarHBondContact O-N 2.85Å; P411-V420 HydrophobicContact CG-CG2 4.05Å; P411-P516 HydrophobicContact CB-CB 4.18Å; P411-P516 HydrophobicContact CB-CG 4.37Å; P411-P516 HydrophobicContact CG-CB 3.81Å; P411-P516 HydrophobicContact CG-CG 3.57Å; P411-Y517 HydrophobicContact CB-CE1 3.96Å; P411-Y517 HydrophobicContact CG-CE1 4.06Å | ||
| 412 | V | 78.6 | Confident | 87.8 | Confident | 97 Ų | 97 | 29.3 Ų | 29.3 | 59% | 0.588 | 17% | 0.171 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | K416 M417 | V412-K416 CarbonylContact C-O 3.46Å; V412-K416 VanDerWaalsContact CA-O 3.29Å; V412-K416 WeakPolarHBondContact CA-O 3.47Å; V412-M417 HydrophobicContact CG2-CG 4.21Å |
| 413 | V | 74.6 | Confident | 87.9 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.8 | 177.6 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | G415 K416 F418 P516 S542 | V413-G415 PolarHBondContact O-N 2.98Å; V413-G415 VanDerWaalsContact O-N 3.14Å; V413-K416 PolarHBondContact N-O 2.75Å; V413-K416 PolarHBondContact O-N 3.37Å; V413-F418 HydrophobicContact CB-CD2 3.77Å; V413-F418 HydrophobicContact CB-CE2 3.67Å; V413-F418 HydrophobicContact CG1-CE2 4.35Å; V413-F418 HydrophobicContact CG2-CD2 4.01Å; V413-F418 HydrophobicContact CG2-CE2 4.36Å; V413-P516 HydrophobicContact CG2-CB 3.96Å; V413-S542 WeakPolarHBondContact CG1-OG 3.44Å |
| 414 | D | 72.9 | Confident | 87.9 | Confident | 119 Ų | 119 | 28.5 Ų | 28.5 | 64% | 0.636 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.3 | -179.7 | -61.1 | -21 | 0 | 0 | 0 | 113.8 | K416 T544 | D414-K416 PolarHBondContact O-N 3.26Å; D414-T544 HydrophobicContact CB-CG2 3.93Å |
| 415 | G | 72.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 27.3 Ų | 27.3 | 76% | 0.763 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -2.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V413 | V413-G415 PolarHBondContact O-N 2.98Å; V413-G415 VanDerWaalsContact O-N 3.14Å |
| 416 | K | 75.1 | Confident | 87.8 | Confident | 87 Ų | 87 | 28.3 Ų | 28.3 | 38% | 0.378 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 146.8 | 174.6 | -62.7 | -171.8 | -179.3 | -169.2 | 0 | 111 | V412 V413 D414 F418 | V412-K416 CarbonylContact C-O 3.46Å; V412-K416 VanDerWaalsContact CA-O 3.29Å; V412-K416 WeakPolarHBondContact CA-O 3.47Å; V413-K416 PolarHBondContact N-O 2.75Å; V413-K416 PolarHBondContact O-N 3.37Å; D414-K416 PolarHBondContact O-N 3.26Å; K416-F418 HydrophobicContact CB-CE2 3.82Å; K416-F418 HydrophobicContact CB-CZ 4.49Å |
| 417 | M | 78.7 | Confident | 87.7 | Confident | 39 Ų | 39 | 31.3 Ų | 31.3 | 19% | 0.192 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 137.4 | 177 | -63.8 | 174.5 | -74.3 | 0 | 0 | 111 | N290 V412 P419 M437 | N290-M417 WeakPolarHBondContact ND2-CE 3.41Å; N290-M417 PolarHBondContact ND2-SD 3.02Å; N290-M417 PolarHBondContact OD1-SD 2.83Å; V412-M417 HydrophobicContact CG2-CG 4.21Å; M417-P419 WeakPolarHBondContact O-CD 3.39Å; M417-M437 HydrophobicContact CB-CE 3.8Å; M417-M437 HydrophobicContact CE-CE 3.42Å; M417-M437 VanDerWaalsContact CE-CE 3.42Å; M417-M437 HydrophobicContact CE-SD 3.97Å; M417-M437 HydrophobicContact CG-CE 4.49Å; M417-M437 HydrophobicContact SD-CE 3.81Å |
| 418 | F | 81 | Confident | 87.6 | Confident | 11 Ų | 11 | 31.3 Ų | 31.3 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | trans | -123.5 | 77.2 | 179.2 | -73.3 | -93.9 | 0 | 0 | 0 | 110.5 | P411 V413 K416 V420 T435 W436 P516 P546 | P411-F418 WeakPolarHBondContact CD-O 3.49Å; P411-F418 HydrophobicContact CG-CB 4.23Å; P411-F418 WeakPolarHBondContact CG-O 3.23Å; P411-F418 PolarHBondContact O-N 2.85Å; V413-F418 HydrophobicContact CB-CD2 3.77Å; V413-F418 HydrophobicContact CB-CE2 3.67Å; V413-F418 HydrophobicContact CG1-CE2 4.35Å; V413-F418 HydrophobicContact CG2-CD2 4.01Å; V413-F418 HydrophobicContact CG2-CE2 4.36Å; K416-F418 HydrophobicContact CB-CE2 3.82Å; K416-F418 HydrophobicContact CB-CZ 4.49Å; F418-V420 WeakPolarHBondContact O-CG2 3.34Å; F418-V420 PolarHBondContact O-N 2.91Å; F418-T435 CarbonylContact C-O 3.41Å; F418-T435 WeakPolarHBondContact CA-O 3.23Å; F418-W436 HydrophobicContact CD1-CB 3.73Å; F418-W436 HydrophobicContact CE1-CB 3.72Å; F418-P516 HydrophobicContact CB-CB 3.79Å; F418-P516 HydrophobicContact CB-CG 4.11Å; F418-P516 HydrophobicContact CG-CB 4.24Å; F418-P546 HydrophobicContact CE1-CG 4.19Å | ||
| 419 | P | 87.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -59.1 | 124.5 | -177.2 | -19.1 | 30.1 | 0 | 0 | 0 | 111.6 | D409 L410 M417 T435 M437 Y442 | D409-P419 CarbonylContact O-C 3.56Å; D409-P419 WeakPolarHBondContact O-CA 3.34Å; L410-P419 HydrophobicContact CD2-CB 3.59Å; L410-P419 HydrophobicContact CD2-CG 3.68Å; M417-P419 WeakPolarHBondContact O-CD 3.39Å; P419-T435 WeakPolarHBondContact CB-OG1 3.35Å; P419-T435 VanDerWaalsContact CD-O 3.28Å; P419-T435 WeakPolarHBondContact CD-O 3.43Å; P419-T435 PolarHBondContact O-N 2.71Å; P419-T435 PolarHBondContact O-OG1 3.38Å; P419-M437 HydrophobicContact CG-CE 3.71Å; P419-Y442 HydrophobicContact CG-CE1 3.95Å | ||
| 420 | V | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.5 | 177 | -175 | 0 | 0 | 0 | 0 | 108.8 | V408 D409 P411 F418 Y422 T432 I433 A434 P516 Y517 | V408-V420 WeakPolarHBondContact CA-O 3.41Å; D409-V420 PolarHBondContact N-O 2.85Å; D409-V420 PolarHBondContact O-N 3.07Å; P411-V420 HydrophobicContact CG-CG2 4.05Å; F418-V420 WeakPolarHBondContact O-CG2 3.34Å; F418-V420 PolarHBondContact O-N 2.91Å; V420-Y422 HydrophobicContact CB-CE2 4.39Å; V420-Y422 HydrophobicContact CG1-CE1 4.3Å; V420-Y422 HydrophobicContact CG1-CE2 3.89Å; V420-T432 HydrophobicContact CG1-CG2 3.65Å; V420-I433 CarbonylContact C-O 3.56Å; V420-I433 WeakPolarHBondContact CA-O 3.28Å; V420-A434 HydrophobicContact CG2-CB 4.37Å; V420-P516 HydrophobicContact CG2-CG 3.48Å; V420-P516 VanDerWaalsContact CG2-CG 3.48Å; V420-Y517 HydrophobicContact CB-CE2 4.37Å; V420-Y517 HydrophobicContact CG1-CE2 4.38Å; V420-Y517 HydrophobicContact CG2-CE2 3.92Å |
| 421 | I | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.6 | -178.9 | -57.9 | 151.6 | 0 | 0 | 0 | 108.4 | Y298 I313 I395 L406 V408 I433 T435 | Y298-I421 HydrophobicContact CD1-CD1 3.81Å; Y298-I421 HydrophobicContact CD1-CG1 3.88Å; Y298-I421 HydrophobicContact CE1-CD1 3.89Å; Y298-I421 HydrophobicContact CE1-CG1 4Å; I313-I421 HydrophobicContact CD1-CG2 3.93Å; I313-I421 HydrophobicContact CG2-CD1 4.36Å; I395-I421 HydrophobicContact CD1-CD1 3.25Å; L406-I421 HydrophobicContact CD2-CG2 3.86Å; V408-I421 HydrophobicContact CG1-CG1 4.29Å; V408-I421 HydrophobicContact CG2-CG1 4.02Å; V408-I421 HydrophobicContact CG2-CG2 4.34Å; I421-I433 HydrophobicContact CB-CB 4.4Å; I421-I433 PolarHBondContact N-O 2.87Å; I421-I433 PolarHBondContact O-N 2.68Å; I421-T435 HydrophobicContact CD1-CG2 4.34Å |
| 422 | Y | 96.7 | Very high | 88.7 | Confident | 8 Ų | 8 | 31.6 Ų | 31.6 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.4 | 169.9 | -60.2 | -81 | 0 | 0 | 0 | 108.2 | L406 A407 D409 V420 I430 Y431 T432 L464 L487 I500 Y517 | L406-Y422 CarbonylContact C-O 3.52Å; L406-Y422 WeakPolarHBondContact CA-O 3.31Å; A407-Y422 PolarHBondContact N-O 2.78Å; A407-Y422 PolarHBondContact O-N 2.74Å; D409-Y422 HydrophobicContact CB-CE2 4.5Å; V420-Y422 HydrophobicContact CB-CE2 4.39Å; V420-Y422 HydrophobicContact CG1-CE1 4.3Å; V420-Y422 HydrophobicContact CG1-CE2 3.89Å; Y422-I430 HydrophobicContact CD1-CG2 4.36Å; Y422-Y431 CarbonylContact C-O 3.44Å; Y422-Y431 WeakPolarHBondContact CA-O 3.46Å; Y422-T432 HydrophobicContact CD1-CG2 4.17Å; Y422-T432 HydrophobicContact CE1-CG2 3.64Å; Y422-L464 HydrophobicContact CD2-CD1 3.91Å; Y422-L464 HydrophobicContact CE2-CD1 3.78Å; Y422-L487 HydrophobicContact CD1-CD2 3.99Å; Y422-L487 HydrophobicContact CD2-CD1 4.05Å; Y422-L487 HydrophobicContact CG-CD1 3.92Å; Y422-L487 HydrophobicContact CG-CD2 3.99Å; Y422-I500 HydrophobicContact CE1-CG1 4.34Å; Y422-I500 HydrophobicContact CE2-CD1 3.94Å; Y422-I500 HydrophobicContact CE2-CG1 4.32Å; Y422-I500 WeakPolarHBondContact OH-CG2 3.41Å; Y422-Y517 WeakPolarHBondContact OH-CE2 3.19Å |
| 423 | A | 98 | Very high | 89.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I313 L403 K405 L406 I430 Y431 | I313-A423 HydrophobicContact CD1-CB 4.18Å; L403-A423 HydrophobicContact CD1-CB 4.02Å; L403-A423 HydrophobicContact CD2-CB 3.72Å; L403-A423 HydrophobicContact CG-CB 4.33Å; K405-A423 CarbonylContact O-C 3.58Å; K405-A423 VanDerWaalsContact O-CA 3.28Å; K405-A423 WeakPolarHBondContact O-CA 3.49Å; L406-A423 HydrophobicContact CD2-CB 3.6Å; A423-I430 WeakPolarHBondContact O-CA 3.46Å; A423-Y431 PolarHBondContact N-O 2.84Å; A423-Y431 PolarHBondContact O-N 2.6Å |
| 424 | G | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 151 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L403 T404 K405 E429 | L403-G424 CarbonylContact C-O 3.49Å; L403-G424 WeakPolarHBondContact CA-O 3.49Å; T404-G424 PolarHBondContact N-O 3.42Å; T404-G424 PolarHBondContact OG1-O 2.86Å; K405-G424 PolarHBondContact N-O 2.89Å; K405-G424 PolarHBondContact O-N 2.77Å; G424-E429 CarbonylContact C-O 3.52Å; G424-E429 WeakPolarHBondContact CA-O 3.43Å |
| 425 | T | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 170.2 | -179.6 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | V401 I402 L403 N427 G428 E429 Y431 V459 | V401-T425 HydrophobicContact CG1-CG2 3.89Å; I402-T425 WeakPolarHBondContact O-CA 3.22Å; I402-T425 WeakPolarHBondContact O-CB 2.94Å; L403-T425 HydrophobicContact CD2-CG2 3.96Å; T425-N427 VanDerWaalsContact CB-OD1 3.25Å; T425-N427 WeakPolarHBondContact CB-OD1 3.21Å; T425-N427 PolarHBondContact O-N 3.13Å; T425-N427 PolarHBondContact OG1-N 2.72Å; T425-N427 PolarHBondContact OG1-OD1 2.86Å; T425-G428 PolarHBondContact OG1-N 3.01Å; T425-E429 HydrophobicContact CG2-CB 3.96Å; T425-E429 PolarHBondContact N-O 2.7Å; T425-E429 WeakPolarHBondContact OG1-CA 3.29Å; T425-E429 WeakPolarHBondContact OG1-CB 3.38Å; T425-E429 PolarHBondContact OG1-N 2.68Å; T425-E429 PolarHBondContact OG1-O 2.85Å; T425-Y431 HydrophobicContact CG2-CD2 3.77Å; T425-Y431 HydrophobicContact CG2-CE2 3.56Å; T425-V459 PolarHBondContact O-N 3Å |
| 426 | N | 95.8 | Very high | 90.1 | Very high | 71 Ų | 71 | 18.6 Ų | 18.6 | 38% | 0.38 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -1.6 | 169.7 | 72.2 | -22.1 | 0 | 0 | 0 | 114.9 | I402 T404 P458 | I402-N426 HydrophobicContact CB-CB 4.39Å; I402-N426 HydrophobicContact CG2-CB 4.2Å; I402-N426 PolarHBondContact O-N 3.17Å; I402-N426 VanDerWaalsContact O-N 3.12Å; T404-N426 HydrophobicContact CG2-CB 3.95Å; N426-P458 WeakPolarHBondContact O-CA 3.45Å; N426-P458 VanDerWaalsContact O-CG 3.31Å; N426-P458 WeakPolarHBondContact O-CG 3.46Å |
| 427 | N | 95.2 | Very high | 89.6 | Confident | 65 Ų | 65 | 15.9 Ų | 15.9 | 35% | 0.348 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 14.6 | -177.1 | 70 | -10 | 0 | 0 | 0 | 113.9 | T425 E429 R456 | T425-N427 VanDerWaalsContact CB-OD1 3.25Å; T425-N427 WeakPolarHBondContact CB-OD1 3.21Å; T425-N427 PolarHBondContact O-N 3.13Å; T425-N427 PolarHBondContact OG1-N 2.72Å; T425-N427 PolarHBondContact OG1-OD1 2.86Å; N427-E429 WeakPolarHBondContact OD1-CG 3.4Å; N427-R456 CarbonylContact O-C 3.4Å; N427-R456 WeakPolarHBondContact O-CA 3.29Å |
| 428 | G | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 83.1 | 29.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T425 L453 E457 | T425-G428 PolarHBondContact OG1-N 3.01Å; G428-L453 VanDerWaalsContact O-CB 3.28Å; G428-L453 WeakPolarHBondContact O-CB 3.43Å; G428-L453 WeakPolarHBondContact O-CG 3.48Å; G428-L453 PolarHBondContact O-N 2.78Å; G428-E457 WeakPolarHBondContact CA-O 3.48Å; G428-E457 PolarHBondContact N-O 2.75Å |
| 429 | E | 95.3 | Very high | 87.5 | Confident | 43 Ų | 43 | 22.3 Ų | 22.3 | 20% | 0.201 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.3 | 174.4 | -62.2 | 178.1 | 157.9 | 0 | 0 | 110.5 | G424 T425 N427 Y431 V450 Q451 L452 | G424-E429 CarbonylContact C-O 3.52Å; G424-E429 WeakPolarHBondContact CA-O 3.43Å; T425-E429 HydrophobicContact CG2-CB 3.96Å; T425-E429 PolarHBondContact N-O 2.7Å; T425-E429 WeakPolarHBondContact OG1-CA 3.29Å; T425-E429 WeakPolarHBondContact OG1-CB 3.38Å; T425-E429 PolarHBondContact OG1-N 2.68Å; T425-E429 PolarHBondContact OG1-O 2.85Å; N427-E429 WeakPolarHBondContact OD1-CG 3.4Å; E429-Y431 HydrophobicContact CB-CD2 4.26Å; E429-Y431 HydrophobicContact CB-CE2 3.77Å; E429-Y431 VanDerWaalsContact OE2-CE2 3.29Å; E429-Y431 WeakPolarHBondContact OE2-CE2 3.23Å; E429-Y431 PolarHBondContact OE2-OH 2.94Å; E429-V450 HydrophobicContact CB-CG1 4.01Å; E429-V450 HydrophobicContact CG-CG1 4.27Å; E429-Q451 CarbonylContact C-O 3.59Å; E429-Q451 WeakPolarHBondContact CA-O 3.39Å; E429-L452 HydrophobicContact CG-CD1 3.88Å |
| 430 | I | 95.4 | Very high | 86 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.3 | 170.6 | -57.8 | -58.9 | 0 | 0 | 0 | 108.8 | Y422 A423 V450 Q451 L453 V459 L487 V489 L498 | Y422-I430 HydrophobicContact CD1-CG2 4.36Å; A423-I430 WeakPolarHBondContact O-CA 3.46Å; I430-V450 WeakPolarHBondContact O-CA 3.39Å; I430-Q451 HydrophobicContact CB-CB 4.43Å; I430-Q451 PolarHBondContact N-O 2.67Å; I430-Q451 PolarHBondContact O-N 3.2Å; I430-L453 HydrophobicContact CD1-CD1 4.3Å; I430-L453 HydrophobicContact CG1-CD1 4.3Å; I430-L453 HydrophobicContact CG1-CD2 4.09Å; I430-L453 HydrophobicContact CG1-CG 4.23Å; I430-V459 HydrophobicContact CD1-CG2 3.97Å; I430-L487 HydrophobicContact CG2-CD2 3.96Å; I430-V489 HydrophobicContact CD1-CG1 3.96Å; I430-V489 HydrophobicContact CD1-CG2 4.01Å; I430-V489 HydrophobicContact CG1-CG2 4.35Å; I430-L498 HydrophobicContact CG1-CD1 4.39Å |
| 431 | Y | 95 | Very high | 84.6 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 125.5 | 173.3 | -73.8 | -113.8 | 0 | 0 | 0 | 108.6 | F396 V401 L403 Y422 A423 T425 E429 L447 V450 | F396-Y431 HydrophobicContact CZ-CD1 4.23Å; V401-Y431 HydrophobicContact CG1-CE1 4.35Å; V401-Y431 HydrophobicContact CG1-CE2 3.91Å; V401-Y431 WeakPolarHBondContact CG2-OH 3.4Å; L403-Y431 HydrophobicContact CD2-CD2 4.21Å; L403-Y431 HydrophobicContact CD2-CG 4.39Å; Y422-Y431 CarbonylContact C-O 3.44Å; Y422-Y431 WeakPolarHBondContact CA-O 3.46Å; A423-Y431 PolarHBondContact N-O 2.84Å; A423-Y431 PolarHBondContact O-N 2.6Å; T425-Y431 HydrophobicContact CG2-CD2 3.77Å; T425-Y431 HydrophobicContact CG2-CE2 3.56Å; E429-Y431 HydrophobicContact CB-CD2 4.26Å; E429-Y431 HydrophobicContact CB-CE2 3.77Å; E429-Y431 VanDerWaalsContact OE2-CE2 3.29Å; E429-Y431 WeakPolarHBondContact OE2-CE2 3.23Å; E429-Y431 PolarHBondContact OE2-OH 2.94Å; Y431-L447 HydrophobicContact CD1-CD1 3.66Å; Y431-L447 HydrophobicContact CD1-CD2 4.37Å; Y431-L447 HydrophobicContact CE1-CD1 4.49Å; Y431-L447 HydrophobicContact CE1-CD2 4.45Å; Y431-L447 HydrophobicContact CG-CD1 4.37Å; Y431-V450 HydrophobicContact CD1-CG2 3.76Å; Y431-V450 HydrophobicContact CD2-CG1 4.26Å; Y431-V450 HydrophobicContact CE1-CG2 3.6Å; Y431-V450 HydrophobicContact CE2-CG1 3.86Å; Y431-V450 HydrophobicContact CE2-CG2 4.35Å; Y431-V450 HydrophobicContact CG-CG2 4.19Å |
| 432 | T | 92.8 | Very high | 83.1 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 9% | 0.092 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 115.6 | 172.1 | -56.1 | 0 | 0 | 0 | 0 | 108.5 | V420 Y422 L448 S449 | V420-T432 HydrophobicContact CG1-CG2 3.65Å; Y422-T432 HydrophobicContact CD1-CG2 4.17Å; Y422-T432 HydrophobicContact CE1-CG2 3.64Å; T432-L448 HydrophobicContact CG2-CB 4.2Å; T432-L448 HydrophobicContact CG2-CD1 4.17Å; T432-L448 WeakPolarHBondContact O-CB 3.45Å; T432-L448 PolarHBondContact O-N 3.45Å; T432-S449 WeakPolarHBondContact CB-OG 3.32Å; T432-S449 PolarHBondContact N-O 3.02Å; T432-S449 PolarHBondContact O-N 3.36Å; T432-S449 PolarHBondContact OG1-OG 2.72Å |
| 433 | I | 90.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.9 | -175.1 | -61.1 | 150.5 | 0 | 0 | 0 | 108 | I313 F396 V420 I421 N446 L447 | I313-I433 HydrophobicContact CD1-CD1 3.67Å; F396-I433 HydrophobicContact CB-CD1 4.26Å; F396-I433 HydrophobicContact CB-CG2 4.2Å; F396-I433 HydrophobicContact CD1-CD1 3.44Å; F396-I433 VanDerWaalsContact CD1-CD1 3.44Å; F396-I433 HydrophobicContact CD1-CG1 4.38Å; F396-I433 HydrophobicContact CD2-CD1 3.89Å; F396-I433 HydrophobicContact CD2-CG1 3.95Å; F396-I433 HydrophobicContact CD2-CG2 4.06Å; F396-I433 HydrophobicContact CE1-CD1 3.62Å; F396-I433 HydrophobicContact CE1-CG1 4.42Å; F396-I433 HydrophobicContact CE2-CD1 4.06Å; F396-I433 HydrophobicContact CE2-CG1 4.01Å; F396-I433 HydrophobicContact CG-CD1 3.58Å; F396-I433 HydrophobicContact CG-CG1 4.14Å; F396-I433 HydrophobicContact CG-CG2 4.25Å; F396-I433 HydrophobicContact CZ-CD1 3.92Å; F396-I433 HydrophobicContact CZ-CG1 4.24Å; V420-I433 CarbonylContact C-O 3.56Å; V420-I433 WeakPolarHBondContact CA-O 3.28Å; I421-I433 HydrophobicContact CB-CB 4.4Å; I421-I433 PolarHBondContact N-O 2.87Å; I421-I433 PolarHBondContact O-N 2.68Å; I433-N446 CarbonylContact C-O 3.58Å; I433-N446 WeakPolarHBondContact CA-O 3.26Å; I433-L447 HydrophobicContact CG1-CD1 4.19Å |
| 434 | A | 85.5 | Confident | 80.6 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 139.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V420 G445 N446 L448 | V420-A434 HydrophobicContact CG2-CB 4.37Å; A434-G445 WeakPolarHBondContact O-CA 3.45Å; A434-N446 PolarHBondContact N-O 3Å; A434-N446 PolarHBondContact O-N 3.25Å; A434-L448 HydrophobicContact CB-CD1 3.61Å; A434-L448 HydrophobicContact CB-CD2 4.07Å; A434-L448 HydrophobicContact CB-CG 3.82Å |
| 435 | T | 80.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -122 | 159.1 | 170.4 | 64.4 | 0 | 0 | 0 | 0 | 108.3 | I395 F418 P419 I421 | I395-T435 HydrophobicContact CD1-CG2 3.91Å; F418-T435 CarbonylContact C-O 3.41Å; F418-T435 WeakPolarHBondContact CA-O 3.23Å; P419-T435 WeakPolarHBondContact CB-OG1 3.35Å; P419-T435 VanDerWaalsContact CD-O 3.28Å; P419-T435 WeakPolarHBondContact CD-O 3.43Å; P419-T435 PolarHBondContact O-N 2.71Å; P419-T435 PolarHBondContact O-OG1 3.38Å; I421-T435 HydrophobicContact CD1-CG2 4.34Å | ||
| 436 | W | 71.9 | Confident | 78.7 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | trans | -133.6 | 148.3 | 169.3 | 63.1 | 101.4 | 0 | 0 | 0 | 109 | F418 Q443 N446 T547 | F418-W436 HydrophobicContact CD1-CB 3.73Å; F418-W436 HydrophobicContact CE1-CB 3.72Å; W436-Q443 HydrophobicContact CD2-CB 4.12Å; W436-Q443 HydrophobicContact CD2-CG 4.35Å; W436-Q443 HydrophobicContact CE3-CB 4.39Å; W436-Q443 HydrophobicContact CH2-CB 4.25Å; W436-Q443 HydrophobicContact CZ2-CB 4.08Å; W436-Q443 HydrophobicContact CZ2-CG 4.26Å; W436-Q443 HydrophobicContact CZ3-CB 4.39Å; W436-Q443 VanDerWaalsContact NE1-OE1 3.14Å; W436-Q443 PolarHBondContact O-N 3.32Å; W436-N446 VanDerWaalsContact CH2-ND2 3.33Å; W436-N446 WeakPolarHBondContact CH2-ND2 3.01Å; W436-N446 WeakPolarHBondContact CZ3-ND2 3.5Å; W436-T547 HydrophobicContact CH2-CG2 4.21Å; W436-T547 HydrophobicContact CZ2-CG2 4.15Å | ||
| 437 | M | 65.4 | Low | 78.2 | Confident | 30 Ų | 30 | 38.5 Ų | 38.5 | 15% | 0.148 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.4 | 176.9 | -76.9 | -175.1 | -95.7 | 0 | 0 | 110 | M417 P419 L441 Y442 | M417-M437 HydrophobicContact CB-CE 3.8Å; M417-M437 HydrophobicContact CE-CE 3.42Å; M417-M437 VanDerWaalsContact CE-CE 3.42Å; M417-M437 HydrophobicContact CE-SD 3.97Å; M417-M437 HydrophobicContact CG-CE 4.49Å; M417-M437 HydrophobicContact SD-CE 3.81Å; P419-M437 HydrophobicContact CG-CE 3.71Å; M437-L441 WeakPolarHBondContact CA-O 3.29Å; M437-Y442 HydrophobicContact CE-CE1 4.35Å; M437-Y442 HydrophobicContact CG-CD1 4.05Å; M437-Y442 HydrophobicContact CG-CE1 4Å; M437-Y442 HydrophobicContact CG-CE2 4.43Å; M437-Y442 HydrophobicContact CG-CG 4.31Å; M437-Y442 HydrophobicContact SD-CE1 4.25Å; M437-Y442 HydrophobicContact SD-CE2 4.15Å |
| 438 | D | 58.6 | Low | 77.5 | Confident | 65 Ų | 65 | 37.4 Ų | 37.4 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129 | 166 | -178.3 | 36.5 | 0 | 0 | 0 | 110.4 | Q387 A440 L441 | Q387-D438 PolarHBondContact NE2-OD2 3.04Å; D438-A440 PolarHBondContact O-N 2.82Å; D438-L441 PolarHBondContact N-O 2.71Å; D438-L441 VanDerWaalsContact N-O 3.09Å; D438-L441 PolarHBondContact O-N 2.96Å |
| 439 | S | 55.3 | Low | 77 | Confident | 120 Ų | 120 | 39.7 Ų | 39.7 | 84% | 0.839 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 33.9 | -13.2 | -173.8 | 63.1 | 0 | 0 | 0 | 0 | 121.4 | ||
| 440 | A | 56.5 | Low | 76.7 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 67% | 0.669 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 178 | -7.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D438 | D438-A440 PolarHBondContact O-N 2.82Š|
| 441 | L | 62.1 | Low | 76.3 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.4 | -165.9 | -66.9 | 171.7 | 0 | 0 | 0 | 112.6 | P385 Q387 M437 D438 | P385-L441 HydrophobicContact CB-CD2 4.35Å; Q387-L441 HydrophobicContact CG-CB 3.47Å; Q387-L441 VanDerWaalsContact CG-CB 3.47Å; Q387-L441 HydrophobicContact CG-CD1 3.85Å; Q387-L441 HydrophobicContact CG-CG 4.32Å; M437-L441 WeakPolarHBondContact CA-O 3.29Å; D438-L441 PolarHBondContact N-O 2.71Å; D438-L441 VanDerWaalsContact N-O 3.09Å; D438-L441 PolarHBondContact O-N 2.96Å |
| 442 | Y | 63.6 | Low | 76.1 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 146.2 | 175.6 | -75.5 | -92.4 | 0 | 0 | 0 | 111.4 | Y298 I315 I384 S386 Q387 P419 M437 | Y298-Y442 PolarHBondContact OH-OH 2.97Å; I315-Y442 HydrophobicContact CD1-CD1 3.6Å; I315-Y442 HydrophobicContact CD1-CD2 4.18Å; I315-Y442 HydrophobicContact CD1-CE1 3.44Å; I315-Y442 VanDerWaalsContact CD1-CE1 3.44Å; I315-Y442 HydrophobicContact CD1-CE2 4.07Å; I315-Y442 HydrophobicContact CD1-CG 3.96Å; I315-Y442 HydrophobicContact CG2-CE2 4.42Å; I384-Y442 HydrophobicContact CD1-CE2 4.22Å; I384-Y442 HydrophobicContact CG2-CD2 4.09Å; S386-Y442 CarbonylContact C-O 3.56Å; S386-Y442 WeakPolarHBondContact CA-O 3.47Å; S386-Y442 WeakPolarHBondContact CB-O 3.47Å; Q387-Y442 PolarHBondContact N-O 3.04Å; P419-Y442 HydrophobicContact CG-CE1 3.95Å; M437-Y442 HydrophobicContact CE-CE1 4.35Å; M437-Y442 HydrophobicContact CG-CD1 4.05Å; M437-Y442 HydrophobicContact CG-CE1 4Å; M437-Y442 HydrophobicContact CG-CE2 4.43Å; M437-Y442 HydrophobicContact CG-CG 4.31Å; M437-Y442 HydrophobicContact SD-CE1 4.25Å; M437-Y442 HydrophobicContact SD-CE2 4.15Å |
| 443 | Q | 67.4 | Low | 76 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 169.7 | 164.5 | -60.5 | -151.2 | 5.8 | 0 | 0 | 111.6 | Q387 W436 | Q387-Q443 HydrophobicContact CB-CG 4.49Å; Q387-Q443 VanDerWaalsContact OE1-NE2 3.15Å; W436-Q443 HydrophobicContact CD2-CB 4.12Å; W436-Q443 HydrophobicContact CD2-CG 4.35Å; W436-Q443 HydrophobicContact CE3-CB 4.39Å; W436-Q443 HydrophobicContact CH2-CB 4.25Å; W436-Q443 HydrophobicContact CZ2-CB 4.08Å; W436-Q443 HydrophobicContact CZ2-CG 4.26Å; W436-Q443 HydrophobicContact CZ3-CB 4.39Å; W436-Q443 VanDerWaalsContact NE1-OE1 3.14Å; W436-Q443 PolarHBondContact O-N 3.32Å |
| 444 | N | 73.8 | Confident | 75.4 | Confident | 80 Ų | 80 | 49.8 Ų | 49.8 | 43% | 0.428 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 139.8 | 173.3 | -71.4 | -11.1 | 0 | 0 | 0 | 110.2 | N446 | N444-N446 PolarHBondContact O-N 3.16Š|
| 445 | G | 78.2 | Confident | 75.4 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 122.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I395 A434 | I395-G445 WeakPolarHBondContact O-CA 2.97Å; I395-G445 PolarHBondContact O-N 3.13Å; A434-G445 WeakPolarHBondContact O-CA 3.45Å |
| 446 | N | 79.4 | Confident | 75.9 | Confident | 58 Ų | 58 | 60 Ų | 60 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.1 | 174.4 | -73.8 | -21.5 | 0 | 0 | 0 | 109.8 | I433 A434 W436 N444 L448 | I433-N446 CarbonylContact C-O 3.58Å; I433-N446 WeakPolarHBondContact CA-O 3.26Å; A434-N446 PolarHBondContact N-O 3Å; A434-N446 PolarHBondContact O-N 3.25Å; W436-N446 VanDerWaalsContact CH2-ND2 3.33Å; W436-N446 WeakPolarHBondContact CH2-ND2 3.01Å; W436-N446 WeakPolarHBondContact CZ3-ND2 3.5Å; N444-N446 PolarHBondContact O-N 3.16Å; N446-L448 PolarHBondContact O-N 3.46Å |
| 447 | L | 83.9 | Confident | 76.9 | Confident | 69 Ų | 69 | 61 Ų | 61 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 115.7 | 171.3 | -178.9 | 60.7 | 0 | 0 | 0 | 109.7 | F396 Y431 I433 V450 | F396-L447 HydrophobicContact CE2-CB 4.19Å; Y431-L447 HydrophobicContact CD1-CD1 3.66Å; Y431-L447 HydrophobicContact CD1-CD2 4.37Å; Y431-L447 HydrophobicContact CE1-CD1 4.49Å; Y431-L447 HydrophobicContact CE1-CD2 4.45Å; Y431-L447 HydrophobicContact CG-CD1 4.37Å; I433-L447 HydrophobicContact CG1-CD1 4.19Å; L447-V450 HydrophobicContact CD1-CG2 4.12Å; L447-V450 HydrophobicContact CD2-CG2 4.11Å |
| 448 | L | 82 | Confident | 78.4 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -44.9 | 178.1 | -62.2 | -168.2 | 0 | 0 | 0 | 112.2 | T432 A434 N446 Q514 | T432-L448 HydrophobicContact CG2-CB 4.2Å; T432-L448 HydrophobicContact CG2-CD1 4.17Å; T432-L448 WeakPolarHBondContact O-CB 3.45Å; T432-L448 PolarHBondContact O-N 3.45Å; A434-L448 HydrophobicContact CB-CD1 3.61Å; A434-L448 HydrophobicContact CB-CD2 4.07Å; A434-L448 HydrophobicContact CB-CG 3.82Å; N446-L448 PolarHBondContact O-N 3.46Å; L448-Q514 HydrophobicContact CD2-CB 3.67Å |
| 449 | S | 84.4 | Confident | 80.2 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 33% | 0.329 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 158.8 | -177.2 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | T432 | T432-S449 WeakPolarHBondContact CB-OG 3.32Å; T432-S449 PolarHBondContact N-O 3.02Å; T432-S449 PolarHBondContact O-N 3.36Å; T432-S449 PolarHBondContact OG1-OG 2.72Å |
| 450 | V | 88.1 | Confident | 82.2 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 118.1 | 167.1 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | E429 I430 Y431 L447 | E429-V450 HydrophobicContact CB-CG1 4.01Å; E429-V450 HydrophobicContact CG-CG1 4.27Å; I430-V450 WeakPolarHBondContact O-CA 3.39Å; Y431-V450 HydrophobicContact CD1-CG2 3.76Å; Y431-V450 HydrophobicContact CD2-CG1 4.26Å; Y431-V450 HydrophobicContact CE1-CG2 3.6Å; Y431-V450 HydrophobicContact CE2-CG1 3.86Å; Y431-V450 HydrophobicContact CE2-CG2 4.35Å; Y431-V450 HydrophobicContact CG-CG2 4.19Å; L447-V450 HydrophobicContact CD1-CG2 4.12Å; L447-V450 HydrophobicContact CD2-CG2 4.11Å |
| 451 | Q | 88.2 | Confident | 84.1 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.3 | 176.9 | -178.4 | 170.5 | 12 | 0 | 0 | 109.6 | E429 I430 Q502 | E429-Q451 CarbonylContact C-O 3.59Å; E429-Q451 WeakPolarHBondContact CA-O 3.39Å; I430-Q451 HydrophobicContact CB-CB 4.43Å; I430-Q451 PolarHBondContact N-O 2.67Å; I430-Q451 PolarHBondContact O-N 3.2Å; Q451-Q502 VanDerWaalsContact OE1-NE2 3.09Å |
| 452 | L | 90 | Very high | 85.6 | Confident | 84 Ų | 84 | 50 Ų | 50 | 44% | 0.44 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.7 | 173.5 | -171.4 | 66.5 | 0 | 0 | 0 | 109.8 | E429 R456 | E429-L452 HydrophobicContact CG-CD1 3.88Å; L452-R456 HydrophobicContact CD1-CG 4.39Å |
| 453 | L | 90.1 | Very high | 87 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -76.7 | 160.3 | 174 | -62.2 | 172.7 | 0 | 0 | 0 | 110.8 | G428 I430 S455 V459 V489 Q491 L498 | G428-L453 VanDerWaalsContact O-CB 3.28Å; G428-L453 WeakPolarHBondContact O-CB 3.43Å; G428-L453 WeakPolarHBondContact O-CG 3.48Å; G428-L453 PolarHBondContact O-N 2.78Å; I430-L453 HydrophobicContact CD1-CD1 4.3Å; I430-L453 HydrophobicContact CG1-CD1 4.3Å; I430-L453 HydrophobicContact CG1-CD2 4.09Å; I430-L453 HydrophobicContact CG1-CG 4.23Å; L453-S455 VanDerWaalsContact C-N 3.26Å; L453-S455 PolarHBondContact O-N 3.22Å; L453-V459 HydrophobicContact CD1-CG2 3.65Å; L453-V489 HydrophobicContact CD1-CG1 3.68Å; L453-V489 HydrophobicContact CD2-CG1 4.42Å; L453-Q491 HydrophobicContact CD1-CG 4.17Å; L453-L498 HydrophobicContact CD2-CD1 3.99Å | ||
| 454 | P | 79.4 | Confident | 88 | Confident | 89 Ų | 89 | 50.8 Ų | 50.8 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -57.6 | -36.3 | -177.6 | -24.3 | 33.3 | 0 | 0 | 0 | 113.9 | H15 | H15-P454 WeakPolarHBondContact CE1-CG 3.32Å; H15-P454 WeakPolarHBondContact NE2-CG 3.05Å |
| 455 | S | 84.6 | Confident | 88.3 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -105.6 | 140 | 171.6 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | L453 E457 Q491 I493 | L453-S455 VanDerWaalsContact C-N 3.26Å; L453-S455 PolarHBondContact O-N 3.22Å; S455-E457 PolarHBondContact O-N 3.18Å; S455-Q491 PolarHBondContact O-NE2 2.9Å; S455-Q491 VanDerWaalsContact OG-CD 3.24Å; S455-Q491 PolarHBondContact OG-NE2 3.14Å; S455-Q491 VanDerWaalsContact OG-NE2 3.09Å; S455-Q491 PolarHBondContact OG-OE1 3.19Å; S455-I493 WeakPolarHBondContact OG-CG2 3.3Å |
| 456 | R | 90.2 | Very high | 87.9 | Confident | 200 Ų | 200 | 49.8 Ų | 49.8 | 76% | 0.755 | 26% | 0.259 | S | S | * | . | trans | -82.2 | 44.1 | 173.8 | -62.7 | -169.2 | 177.2 | -149.6 | -0.8 | 111.8 | N427 L452 | N427-R456 CarbonylContact O-C 3.4Å; N427-R456 WeakPolarHBondContact O-CA 3.29Å; L452-R456 HydrophobicContact CD1-CG 4.39Å | ||
| 457 | E | 93.7 | Very high | 86.9 | Confident | 47 Ų | 47 | 47.2 Ų | 47.2 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -104.8 | 156 | -179.6 | -69.4 | -175.3 | 155.8 | 0 | 0 | 110.8 | K22 G428 S455 V459 Q491 | K22-E457 IonicContact NZ-OE1 3.96Å; G428-E457 WeakPolarHBondContact CA-O 3.48Å; G428-E457 PolarHBondContact N-O 2.75Å; S455-E457 PolarHBondContact O-N 3.18Å; E457-V459 PolarHBondContact O-N 3.19Å; E457-Q491 PolarHBondContact O-NE2 2.86Å |
| 458 | P | 96.6 | Very high | 85.4 | Confident | 55 Ų | 55 | 48.3 Ų | 48.3 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | trans | -52.8 | 136.9 | 177.4 | -24 | 30.7 | 0 | 0 | 0 | 113.2 | N426 Q460 | N426-P458 WeakPolarHBondContact O-CA 3.45Å; N426-P458 VanDerWaalsContact O-CG 3.31Å; N426-P458 WeakPolarHBondContact O-CG 3.46Å; P458-Q460 PolarHBondContact O-N 2.86Å | ||
| 459 | V | 97.5 | Very high | 84.1 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | trans | -71.1 | 121.2 | 167.2 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | T404 K405 T425 I430 L453 E457 V462 V489 | T404-V459 PolarHBondContact OG1-O 2.9Å; K405-V459 HydrophobicContact CB-CG1 4.19Å; K405-V459 HydrophobicContact CG-CG1 4.29Å; T425-V459 PolarHBondContact O-N 3Å; I430-V459 HydrophobicContact CD1-CG2 3.97Å; L453-V459 HydrophobicContact CD1-CG2 3.65Å; E457-V459 PolarHBondContact O-N 3.19Å; V459-V462 HydrophobicContact CG1-CG2 3.47Å; V459-V462 VanDerWaalsContact CG1-CG2 3.47Å; V459-V489 HydrophobicContact CB-CG1 4.46Å; V459-V489 HydrophobicContact CG1-CG1 3.65Å; V459-V489 HydrophobicContact CG2-CG1 4.07Å | ||
| 460 | Q | 96.3 | Very high | 82.5 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | trans | -94.7 | -37.9 | -175.3 | -64 | -65.8 | -12.4 | 0 | 0 | 112.6 | R26 K405 P458 S490 D492 | R26-Q460 HydrophobicContact CB-CB 4.49Å; R26-Q460 HydrophobicContact CG-CB 4.22Å; R26-Q460 HydrophobicContact CG-CG 3.98Å; K405-Q460 WeakPolarHBondContact CE-O 3.42Å; P458-Q460 PolarHBondContact O-N 2.86Å; Q460-S490 PolarHBondContact N-O 2.96Å; Q460-D492 PolarHBondContact NE2-OD1 3.09Å | ||
| 461 | A | 95.9 | Very high | 80.9 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L28 V489 S490 | L28-A461 HydrophobicContact CB-CB 4.27Å; L28-A461 HydrophobicContact CD1-CB 3.99Å; L28-A461 HydrophobicContact CG-CB 3.87Å; A461-V489 WeakPolarHBondContact O-CA 3.35Å; A461-S490 WeakPolarHBondContact CB-OG 3.24Å; A461-S490 PolarHBondContact N-OG 3.46Å; A461-S490 PolarHBondContact O-N 2.66Å |
| 462 | V | 95.5 | Very high | 79 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 123 | 176.9 | -175 | 0 | 0 | 0 | 0 | 108.3 | K405 A407 V459 L487 Y488 V489 | K405-V462 HydrophobicContact CB-CB 4.38Å; K405-V462 HydrophobicContact CB-CG2 3.71Å; A407-V462 HydrophobicContact CB-CB 4.31Å; A407-V462 HydrophobicContact CB-CG1 3.58Å; V459-V462 HydrophobicContact CG1-CG2 3.47Å; V459-V462 VanDerWaalsContact CG1-CG2 3.47Å; V462-L487 HydrophobicContact CG1-CD1 3.42Å; V462-L487 VanDerWaalsContact CG1-CD1 3.42Å; V462-L487 HydrophobicContact CG1-CD2 4.01Å; V462-L487 HydrophobicContact CG1-CG 3.75Å; V462-Y488 CarbonylContact C-O 3.55Å; V462-Y488 WeakPolarHBondContact CA-O 3.2Å; V462-V489 HydrophobicContact CG1-CG2 4.44Å; V462-V489 HydrophobicContact CG2-CG1 4.44Å |
| 463 | E | 92.7 | Very high | 77.1 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 24% | 0.238 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.5 | 176.4 | -74.9 | -63.3 | 166.4 | 0 | 0 | 110.6 | L28 L30 L487 Y488 | L28-E463 HydrophobicContact CB-CG 3.68Å; L28-E463 HydrophobicContact CD1-CB 4.41Å; L28-E463 HydrophobicContact CD1-CG 4.28Å; L30-E463 HydrophobicContact CB-CB 4.26Å; L30-E463 HydrophobicContact CB-CG 4.35Å; L30-E463 HydrophobicContact CD2-CB 4.38Å; E463-L487 CarbonylContact O-C 3.54Å; E463-L487 WeakPolarHBondContact O-CA 3.46Å; E463-Y488 PolarHBondContact N-O 3.2Å; E463-Y488 PolarHBondContact O-N 2.91Å |
| 464 | L | 86.8 | Confident | 75.1 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123 | -176.4 | -174.3 | 151.4 | 0 | 0 | 0 | 110.7 | L30 A407 D409 Y422 L487 I500 | L30-L464 VanDerWaalsContact CD2-C 3.42Å; L30-L464 WeakPolarHBondContact CD2-O 3.34Å; A407-L464 HydrophobicContact CB-CB 4.25Å; D409-L464 HydrophobicContact CB-CD1 3.79Å; D409-L464 HydrophobicContact CB-CD2 4.44Å; Y422-L464 HydrophobicContact CD2-CD1 3.91Å; Y422-L464 HydrophobicContact CE2-CD1 3.78Å; L464-L487 HydrophobicContact CB-CD1 4.27Å; L464-L487 HydrophobicContact CD1-CD1 4.33Å; L464-I500 HydrophobicContact CD1-CD1 3.4Å; L464-I500 VanDerWaalsContact CD1-CD1 3.4Å; L464-I500 HydrophobicContact CG-CD1 3.75Å |
| 465 | L | 81.8 | Confident | 73.7 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144 | 175.8 | -165.6 | 56.3 | 0 | 0 | 0 | 112.2 | L30 Q32 V50 V467 K485 Y486 Y488 | L30-L465 HydrophobicContact CD1-CB 3.91Å; L30-L465 HydrophobicContact CD1-CD1 4.36Å; L30-L465 HydrophobicContact CD1-CD2 3.77Å; L30-L465 HydrophobicContact CD1-CG 4.17Å; L30-L465 HydrophobicContact CD2-CB 3.43Å; L30-L465 VanDerWaalsContact CD2-CB 3.43Å; L30-L465 HydrophobicContact CD2-CD1 3.77Å; L30-L465 HydrophobicContact CD2-CG 4.03Å; L30-L465 HydrophobicContact CG-CB 4.11Å; L30-L465 HydrophobicContact CG-CD1 4.03Å; L30-L465 HydrophobicContact CG-CD2 4.34Å; L30-L465 HydrophobicContact CG-CG 4.33Å; Q32-L465 HydrophobicContact CB-CD1 3.79Å; Q32-L465 HydrophobicContact CG-CD1 3.83Å; V50-L465 HydrophobicContact CB-CD2 3.85Å; V50-L465 HydrophobicContact CG1-CD2 3.82Å; V50-L465 HydrophobicContact CG2-CD2 3.98Å; L465-V467 HydrophobicContact CB-CG2 4.4Å; L465-V467 HydrophobicContact CD2-CG2 3.74Å; L465-V467 HydrophobicContact CG-CG2 4.02Å; L465-K485 VanDerWaalsContact O-CA 3.28Å; L465-K485 WeakPolarHBondContact O-CA 3.43Å; L465-Y486 PolarHBondContact N-O 3.06Å; L465-Y486 PolarHBondContact O-N 2.86Å; L465-Y488 HydrophobicContact CB-CE2 3.78Å |
| 466 | Q | 69.5 | Low | 72 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 115.4 | 160.7 | -174.3 | 165.8 | -10.5 | 0 | 0 | 110.6 | K485 | Q466-K485 HydrophobicContact CB-CG 4Å; Q466-K485 HydrophobicContact CG-CG 4.02Å |
| 467 | V | 58.4 | Low | 70 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.9 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | V50 E51 L465 I469 E484 Y486 | V50-V467 HydrophobicContact CB-CG2 4.49Å; V50-V467 HydrophobicContact CG2-CG2 4.28Å; E51-V467 HydrophobicContact CG-CG1 4.15Å; L465-V467 HydrophobicContact CB-CG2 4.4Å; L465-V467 HydrophobicContact CD2-CG2 3.74Å; L465-V467 HydrophobicContact CG-CG2 4.02Å; V467-I469 HydrophobicContact CG1-CG1 4.11Å; V467-E484 PolarHBondContact N-O 3.46Å; V467-E484 PolarHBondContact O-N 3.12Å; V467-Y486 HydrophobicContact CB-CD2 4.39Å; V467-Y486 HydrophobicContact CG2-CD2 4.07Å |
| 468 | H | 51 | Low | 67.6 | Low | 92 Ų | 92 | 67 Ų | 67 | 43% | 0.426 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 110.6 | 170.3 | -69.3 | -152.4 | 0 | 0 | 0 | 109.1 | Q483 | H468-Q483 VanDerWaalsContact CD2-CD 3.46Å; H468-Q483 PolarHBondContact CD2-NE2 3.07Å; H468-Q483 PolarHBondContact CD2-OE1 2.94Å; H468-Q483 PolarHBondContact CE1-NE2 2.91Å; H468-Q483 VanDerWaalsContact CG-NE2 3.3Å; H468-Q483 PolarHBondContact ND1-NE2 3.38Å; H468-Q483 PolarHBondContact NE2-NE2 3.14Å; H468-Q483 PolarHBondContact NE2-OE1 3.48Å; H468-Q483 VanDerWaalsContact NE2-OE1 3.17Å |
| 469 | I | 55.2 | Low | 65.1 | Low | 43 Ų | 43 | 70.5 Ų | 70.5 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.1 | 174.4 | -58.6 | -179.9 | 0 | 0 | 0 | 108.5 | V467 S481 L482 E484 Y486 | V467-I469 HydrophobicContact CG1-CG1 4.11Å; I469-S481 CarbonylContact O-C 3.56Å; I469-S481 WeakPolarHBondContact O-CA 3.32Å; I469-L482 HydrophobicContact CB-CB 4.37Å; I469-L482 PolarHBondContact N-O 3.1Å; I469-L482 PolarHBondContact O-N 3.1Å; I469-E484 HydrophobicContact CD1-CB 4.11Å; I469-E484 HydrophobicContact CD1-CG 3.89Å; I469-E484 WeakPolarHBondContact CD1-OE2 3.42Å; I469-Y486 HydrophobicContact CD1-CE2 4.49Å |
| 470 | V | 51.2 | Low | 62.8 | Low | 100 Ų | 100 | 71.4 Ų | 71.4 | 61% | 0.606 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 102.3 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | I479 | V470-I479 HydrophobicContact CG1-CG2 3.42Å; V470-I479 VanDerWaalsContact CG1-CG2 3.42Å |
| 471 | C | 53.8 | Low | 60.5 | Low | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.4 | 173.1 | -71.3 | 0 | 0 | 0 | 0 | 109.4 | C8 F473 V480 | C8-C471 HydrophobicContact CB-CB 4.26Å; C8-C471 WeakPolarHBondContact CB-SG 3.15Å; C8-C471 WeakPolarHBondContact SG-CB 3.29Å; C8-C471 CovalentContact SG-SG 2.08Å; C8-C471 PolarHBondContact SG-SG 2.72Å; C471-F473 HydrophobicContact CB-CD2 4.35Å; C471-F473 HydrophobicContact CB-CE2 3.93Å; C471-V480 HydrophobicContact CB-CB 4.39Å; C471-V480 PolarHBondContact N-O 3.44Å; C471-V480 PolarHBondContact O-N 3.48Å |
| 472 | A | 48.7 | Very low | 58.7 | Low | 69 Ų | 69 | 72.8 Ų | 72.8 | 57% | 0.57 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 107.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F474 | A472-F474 PolarHBondContact O-N 2.86Å |
| 473 | F | 49.5 | Very low | 57.1 | Low | 64 Ų | 64 | 75 Ų | 75 | 28% | 0.281 | 40% | 0.397 | S | S | . | . | trans | -79.6 | 109.5 | 172 | -74.3 | -90.8 | 0 | 0 | 0 | 109.3 | C8 C471 K475 F476 V480 | C8-F473 HydrophobicContact CB-CE1 4.43Å; C8-F473 HydrophobicContact CB-CE2 4.48Å; C8-F473 HydrophobicContact CB-CZ 3.8Å; C471-F473 HydrophobicContact CB-CD2 4.35Å; C471-F473 HydrophobicContact CB-CE2 3.93Å; F473-K475 PolarHBondContact O-N 3.02Å; F473-F476 WeakPolarHBondContact CB-O 3.49Å; F473-F476 CarbonylContact O-C 3.53Å; F473-V480 HydrophobicContact CD2-CB 4.42Å; F473-V480 HydrophobicContact CD2-CG2 3.85Å; F473-V480 HydrophobicContact CE2-CB 3.95Å; F473-V480 HydrophobicContact CE2-CG2 3.56Å | ||
| 474 | F | 49.2 | Very low | 56.2 | Low | 210 Ų | 210 | 73.7 Ų | 73.7 | 92% | 0.921 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.7 | 178.3 | -88.2 | -86.1 | 0 | 0 | 0 | 114.1 | A472 | A472-F474 PolarHBondContact O-N 2.86Š|
| 475 | K | 50.1 | Low | 56.2 | Low | 194 Ų | 194 | 74.6 Ų | 74.6 | 84% | 0.843 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -22.9 | -179.6 | -81.5 | -167.1 | 176.1 | -176.9 | 0 | 115 | F473 | F473-K475 PolarHBondContact O-N 3.02Š|
| 476 | F | 48.4 | Very low | 56.6 | Low | 153 Ų | 153 | 74.8 Ų | 74.8 | 67% | 0.671 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -141.2 | 119.5 | 174.6 | -60 | -79.9 | 0 | 0 | 0 | 105.1 | F473 N478 | F473-F476 WeakPolarHBondContact CB-O 3.49Å; F473-F476 CarbonylContact O-C 3.53Å; F476-N478 PolarHBondContact O-N 3.33Å |
| 477 | A | 47.3 | Very low | 57.8 | Low | 110 Ų | 110 | 71.9 Ų | 71.9 | 91% | 0.909 | 38% | 0.38 | S | S | * | . | trans | -64.5 | 53 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 478 | N | 43.2 | Very low | 59.6 | Low | 89 Ų | 89 | 71.6 Ų | 71.6 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | trans | -113.2 | 103 | 173.9 | -74.2 | -44.8 | 0 | 0 | 0 | 106.6 | F476 V480 | F476-N478 PolarHBondContact O-N 3.33Å; N478-V480 PolarHBondContact O-N 2.85Å | ||
| 479 | I | 46 | Very low | 61.7 | Low | 127 Ų | 127 | 67.2 Ų | 67.2 | 65% | 0.651 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 119.5 | 165.4 | -63.1 | 173.3 | 0 | 0 | 0 | 106.7 | V470 | V470-I479 HydrophobicContact CG1-CG2 3.42Å; V470-I479 VanDerWaalsContact CG1-CG2 3.42Å |
| 480 | V | 49.1 | Very low | 63.7 | Low | 22 Ų | 22 | 65.2 Ų | 65.2 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 112.2 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | C471 F473 N478 L482 | C471-V480 HydrophobicContact CB-CB 4.39Å; C471-V480 PolarHBondContact N-O 3.44Å; C471-V480 PolarHBondContact O-N 3.48Å; F473-V480 HydrophobicContact CD2-CB 4.42Å; F473-V480 HydrophobicContact CD2-CG2 3.85Å; F473-V480 HydrophobicContact CE2-CB 3.95Å; F473-V480 HydrophobicContact CE2-CG2 3.56Å; N478-V480 PolarHBondContact O-N 2.85Å; V480-L482 HydrophobicContact CG1-CD2 3.73Å; V480-L482 HydrophobicContact CG1-CG 3.93Å; V480-L482 PolarHBondContact O-N 2.96Å |
| 481 | S | 47.9 | Very low | 65.9 | Low | 68 Ų | 68 | 60.5 Ų | 60.5 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 107.6 | 168.6 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | I469 | I469-S481 CarbonylContact O-C 3.56Å; I469-S481 WeakPolarHBondContact O-CA 3.32Å |
| 482 | L | 58 | Low | 67.9 | Low | 22 Ų | 22 | 60.8 Ų | 60.8 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.2 | 172.5 | -64.4 | 175.6 | 0 | 0 | 0 | 109 | I469 V480 E484 | I469-L482 HydrophobicContact CB-CB 4.37Å; I469-L482 PolarHBondContact N-O 3.1Å; I469-L482 PolarHBondContact O-N 3.1Å; V480-L482 HydrophobicContact CG1-CD2 3.73Å; V480-L482 HydrophobicContact CG1-CG 3.93Å; V480-L482 PolarHBondContact O-N 2.96Å; L482-E484 HydrophobicContact CB-CG 4.37Å |
| 483 | Q | 61.9 | Low | 70.1 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 94.6 | 175.3 | -69.5 | -89.5 | -19 | 0 | 0 | 106.7 | H468 K531 | H468-Q483 VanDerWaalsContact CD2-CD 3.46Å; H468-Q483 PolarHBondContact CD2-NE2 3.07Å; H468-Q483 PolarHBondContact CD2-OE1 2.94Å; H468-Q483 PolarHBondContact CE1-NE2 2.91Å; H468-Q483 VanDerWaalsContact CG-NE2 3.3Å; H468-Q483 PolarHBondContact ND1-NE2 3.38Å; H468-Q483 PolarHBondContact NE2-NE2 3.14Å; H468-Q483 PolarHBondContact NE2-OE1 3.48Å; H468-Q483 VanDerWaalsContact NE2-OE1 3.17Å; Q483-K531 HydrophobicContact CB-CD 4.22Å; Q483-K531 VanDerWaalsContact CB-NZ 3.25Å |
| 484 | E | 74.1 | Confident | 72.3 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 11% | 0.107 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 137.6 | -179.3 | -65.7 | -157.7 | 146.1 | 0 | 0 | 110.4 | V467 I469 L482 Y486 R529 | V467-E484 PolarHBondContact N-O 3.46Å; V467-E484 PolarHBondContact O-N 3.12Å; I469-E484 HydrophobicContact CD1-CB 4.11Å; I469-E484 HydrophobicContact CD1-CG 3.89Å; I469-E484 WeakPolarHBondContact CD1-OE2 3.42Å; L482-E484 HydrophobicContact CB-CG 4.37Å; E484-Y486 HydrophobicContact CB-CD2 4.38Å; E484-Y486 HydrophobicContact CB-CE2 3.71Å; E484-Y486 VanDerWaalsContact OE2-CZ 3.28Å; E484-Y486 PolarHBondContact OE2-OH 3.38Å; E484-R529 IonicContact OE1-CZ 3.84Å; E484-R529 IonicContact OE1-NH1 2.86Å; E484-R529 PolarHBondContact OE1-NH1 2.67Å; E484-R529 IonicContact OE1-NH2 3.78Å |
| 485 | K | 85.9 | Confident | 74.6 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 18% | 0.183 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.8 | 172.5 | -60.1 | -170.8 | 174.8 | -177.2 | 0 | 110 | D409 L465 Q466 I500 | D409-K485 IonicContact OD1-NZ 3.08Å; D409-K485 PolarHBondContact OD1-NZ 3.31Å; D409-K485 VanDerWaalsContact OD2-CD 3.31Å; D409-K485 WeakPolarHBondContact OD2-CD 3.11Å; D409-K485 IonicContact OD2-NZ 2.67Å; D409-K485 PolarHBondContact OD2-NZ 2.08Å; L465-K485 VanDerWaalsContact O-CA 3.28Å; L465-K485 WeakPolarHBondContact O-CA 3.43Å; Q466-K485 HydrophobicContact CB-CG 4Å; Q466-K485 HydrophobicContact CG-CG 4.02Å; K485-I500 HydrophobicContact CB-CB 4.27Å; K485-I500 HydrophobicContact CB-CD1 3.86Å; K485-I500 PolarHBondContact O-N 3.05Å; K485-I500 VanDerWaalsContact O-N 3.14Å |
| 486 | Y | 90.8 | Very high | 76.7 | Confident | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.7 | 179.6 | -70.5 | -82.5 | 0 | 0 | 0 | 110.1 | L465 V467 I469 E484 Q497 L498 A499 | L465-Y486 PolarHBondContact N-O 3.06Å; L465-Y486 PolarHBondContact O-N 2.86Å; V467-Y486 HydrophobicContact CB-CD2 4.39Å; V467-Y486 HydrophobicContact CG2-CD2 4.07Å; I469-Y486 HydrophobicContact CD1-CE2 4.49Å; E484-Y486 HydrophobicContact CB-CD2 4.38Å; E484-Y486 HydrophobicContact CB-CE2 3.71Å; E484-Y486 VanDerWaalsContact OE2-CZ 3.28Å; E484-Y486 PolarHBondContact OE2-OH 3.38Å; Y486-Q497 HydrophobicContact CD1-CG 3.5Å; Y486-Q497 VanDerWaalsContact CD1-CG 3.5Å; Y486-Q497 HydrophobicContact CE1-CG 4.09Å; Y486-Q497 HydrophobicContact CG-CG 4.01Å; Y486-L498 CarbonylContact C-O 3.52Å; Y486-L498 VanDerWaalsContact CA-O 3.3Å; Y486-L498 WeakPolarHBondContact CA-O 3.4Å; Y486-A499 HydrophobicContact CD1-CB 4.46Å; Y486-A499 HydrophobicContact CE1-CB 4.2Å |
| 487 | L | 93.8 | Very high | 78.9 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.6 | 166.4 | -163.9 | 74.1 | 0 | 0 | 0 | 108.1 | A407 Y422 I430 V462 E463 L464 V489 L498 I500 | A407-L487 HydrophobicContact CB-CD1 4.03Å; Y422-L487 HydrophobicContact CD1-CD2 3.99Å; Y422-L487 HydrophobicContact CD2-CD1 4.05Å; Y422-L487 HydrophobicContact CG-CD1 3.92Å; Y422-L487 HydrophobicContact CG-CD2 3.99Å; I430-L487 HydrophobicContact CG2-CD2 3.96Å; V462-L487 HydrophobicContact CG1-CD1 3.42Å; V462-L487 VanDerWaalsContact CG1-CD1 3.42Å; V462-L487 HydrophobicContact CG1-CD2 4.01Å; V462-L487 HydrophobicContact CG1-CG 3.75Å; E463-L487 CarbonylContact O-C 3.54Å; E463-L487 WeakPolarHBondContact O-CA 3.46Å; L464-L487 HydrophobicContact CB-CD1 4.27Å; L464-L487 HydrophobicContact CD1-CD1 4.33Å; L487-V489 HydrophobicContact CD2-CG2 3.7Å; L487-V489 HydrophobicContact CG-CG2 3.87Å; L487-L498 HydrophobicContact CB-CB 4.28Å; L487-L498 HydrophobicContact CD2-CD1 4.44Å; L487-L498 PolarHBondContact N-O 3.32Å; L487-L498 PolarHBondContact O-N 2.88Å; L487-I500 HydrophobicContact CB-CD1 4.49Å; L487-I500 HydrophobicContact CB-CG1 4.22Å |
| 488 | Y | 95.6 | Very high | 81 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.6 | 172.5 | -57.4 | -86.5 | 0 | 0 | 0 | 108.1 | L30 L37 V50 V53 V462 E463 L465 S496 Q497 | L30-Y488 HydrophobicContact CD1-CD2 4.34Å; L30-Y488 HydrophobicContact CD1-CE2 4.2Å; L37-Y488 HydrophobicContact CD1-CG 4.48Å; L37-Y488 HydrophobicContact CD2-CD1 3.57Å; L37-Y488 HydrophobicContact CD2-CE1 4.22Å; L37-Y488 HydrophobicContact CD2-CG 3.86Å; V50-Y488 WeakPolarHBondContact CA-OH 3.3Å; V50-Y488 WeakPolarHBondContact CB-OH 3.43Å; V50-Y488 PolarHBondContact O-OH 3.09Å; V53-Y488 HydrophobicContact CG1-CD1 3.96Å; V53-Y488 HydrophobicContact CG1-CE1 3.72Å; V462-Y488 CarbonylContact C-O 3.55Å; V462-Y488 WeakPolarHBondContact CA-O 3.2Å; E463-Y488 PolarHBondContact N-O 3.2Å; E463-Y488 PolarHBondContact O-N 2.91Å; L465-Y488 HydrophobicContact CB-CE2 3.78Å; Y488-S496 CarbonylContact C-O 3.52Å; Y488-S496 VanDerWaalsContact CA-O 3.32Å; Y488-S496 WeakPolarHBondContact CA-O 3.38Å; Y488-Q497 HydrophobicContact CD1-CB 3.98Å; Y488-Q497 HydrophobicContact CD1-CG 4.22Å; Y488-Q497 HydrophobicContact CE1-CB 3.94Å; Y488-Q497 HydrophobicContact CE1-CG 3.74Å |
| 489 | V | 96.6 | Very high | 83 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124 | -175.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | I430 L453 V459 A461 V462 L487 V495 S496 L498 | I430-V489 HydrophobicContact CD1-CG1 3.96Å; I430-V489 HydrophobicContact CD1-CG2 4.01Å; I430-V489 HydrophobicContact CG1-CG2 4.35Å; L453-V489 HydrophobicContact CD1-CG1 3.68Å; L453-V489 HydrophobicContact CD2-CG1 4.42Å; V459-V489 HydrophobicContact CB-CG1 4.46Å; V459-V489 HydrophobicContact CG1-CG1 3.65Å; V459-V489 HydrophobicContact CG2-CG1 4.07Å; A461-V489 WeakPolarHBondContact O-CA 3.35Å; V462-V489 HydrophobicContact CG1-CG2 4.44Å; V462-V489 HydrophobicContact CG2-CG1 4.44Å; L487-V489 HydrophobicContact CD2-CG2 3.7Å; L487-V489 HydrophobicContact CG-CG2 3.87Å; V489-V495 CarbonylContact O-C 3.48Å; V489-V495 WeakPolarHBondContact O-CA 3.36Å; V489-S496 PolarHBondContact N-O 2.92Å; V489-S496 PolarHBondContact O-N 3.19Å; V489-L498 HydrophobicContact CG2-CD1 4Å |
| 490 | S | 96.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 144.7 | 176.6 | 81.9 | 0 | 0 | 0 | 0 | 112.3 | Y25 Q460 A461 G494 | Y25-S490 WeakPolarHBondContact O-CB 3.29Å; Y25-S490 PolarHBondContact O-OG 2.71Å; Q460-S490 PolarHBondContact N-O 2.96Å; A461-S490 WeakPolarHBondContact CB-OG 3.24Å; A461-S490 PolarHBondContact N-OG 3.46Å; A461-S490 PolarHBondContact O-N 2.66Å; S490-G494 WeakPolarHBondContact CA-O 3.28Å |
| 491 | Q | 96.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 167.3 | 171.8 | -63.4 | 176.6 | -78 | 0 | 0 | 107.5 | Y25 L453 S455 E457 I493 G494 | Y25-Q491 WeakPolarHBondContact CB-O 3.37Å; L453-Q491 HydrophobicContact CD1-CG 4.17Å; S455-Q491 PolarHBondContact O-NE2 2.9Å; S455-Q491 VanDerWaalsContact OG-CD 3.24Å; S455-Q491 PolarHBondContact OG-NE2 3.14Å; S455-Q491 VanDerWaalsContact OG-NE2 3.09Å; S455-Q491 PolarHBondContact OG-OE1 3.19Å; E457-Q491 PolarHBondContact O-NE2 2.86Å; Q491-I493 HydrophobicContact CB-CG2 4.29Å; Q491-I493 PolarHBondContact O-N 3.38Å; Q491-G494 PolarHBondContact N-O 2.87Å; Q491-G494 PolarHBondContact O-N 2.93Å; Q491-G494 VanDerWaalsContact O-O 3.12Å |
| 492 | D | 96 | Very high | 88 | Confident | 16 Ų | 16 | 16.3 Ų | 16.3 | 9% | 0.086 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.2 | -178.2 | -73.7 | -19.4 | 0 | 0 | 0 | 113.1 | L23 Y24 R26 Q460 | L23-D492 PolarHBondContact N-O 3.39Å; Y24-D492 WeakPolarHBondContact CA-O 3.39Å; Y24-D492 HydrophobicContact CD1-CB 3.9Å; Y24-D492 WeakPolarHBondContact CD1-OD2 2.99Å; Y24-D492 HydrophobicContact CE1-CB 4.34Å; Y24-D492 HydrophobicContact CG-CB 4.48Å; Y24-D492 PolarHBondContact N-O 3.28Å; R26-D492 IonicContact CZ-OD1 3.69Å; R26-D492 IonicContact NE-OD1 3.59Å; R26-D492 PolarHBondContact NE-OD1 3.41Å; R26-D492 IonicContact NH2-OD1 2.73Å; R26-D492 IonicContact NH2-OD2 3.25Å; Q460-D492 PolarHBondContact NE2-OD1 3.09Å |
| 493 | I | 95.7 | Very high | 89.1 | Confident | 57 Ų | 57 | 15.3 Ų | 15.3 | 29% | 0.292 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -18.3 | 178 | -163.7 | 149.9 | 0 | 0 | 0 | 115.5 | F17 S19 Y25 S455 Q491 | F17-I493 HydrophobicContact CZ-CG2 4.17Å; S19-I493 VanDerWaalsContact CB-O 3.22Å; S19-I493 WeakPolarHBondContact CB-O 3.35Å; S19-I493 PolarHBondContact OG-O 2.82Å; Y25-I493 WeakPolarHBondContact CE2-O 3.36Å; S455-I493 WeakPolarHBondContact OG-CG2 3.3Å; Q491-I493 HydrophobicContact CB-CG2 4.29Å; Q491-I493 PolarHBondContact O-N 3.38Å |
| 494 | G | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.8 | -172 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F18 S490 Q491 | F18-G494 CarbonylContact O-C 3.49Å; F18-G494 WeakPolarHBondContact O-CA 3.14Å; S490-G494 WeakPolarHBondContact CA-O 3.28Å; Q491-G494 PolarHBondContact N-O 2.87Å; Q491-G494 PolarHBondContact O-N 2.93Å; Q491-G494 VanDerWaalsContact O-O 3.12Å |
| 495 | V | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.9 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | F17 F18 Y25 L28 L37 V39 V489 | F17-V495 WeakPolarHBondContact CA-O 3.46Å; F17-V495 WeakPolarHBondContact CD2-O 3.33Å; F18-V495 PolarHBondContact N-O 2.93Å; F18-V495 PolarHBondContact O-N 2.8Å; Y25-V495 HydrophobicContact CD1-CG2 4.34Å; Y25-V495 HydrophobicContact CG-CG2 4.39Å; L28-V495 HydrophobicContact CD2-CG1 4.45Å; L28-V495 HydrophobicContact CD2-CG2 4.17Å; L37-V495 HydrophobicContact CD2-CG1 4.07Å; V39-V495 HydrophobicContact CG1-CG2 3.79Å; V39-V495 HydrophobicContact CG2-CG2 4.26Å; V489-V495 CarbonylContact O-C 3.48Å; V489-V495 WeakPolarHBondContact O-CA 3.36Å |
| 496 | S | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.1 | 173.4 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | H15 R16 Y488 V489 | H15-S496 WeakPolarHBondContact NE2-CB 3.11Å; H15-S496 PolarHBondContact NE2-OG 3.48Å; R16-S496 CarbonylContact O-C 3.48Å; R16-S496 WeakPolarHBondContact O-CA 3.46Å; Y488-S496 CarbonylContact C-O 3.52Å; Y488-S496 VanDerWaalsContact CA-O 3.32Å; Y488-S496 WeakPolarHBondContact CA-O 3.38Å; V489-S496 PolarHBondContact N-O 2.92Å; V489-S496 PolarHBondContact O-N 3.19Å |
| 497 | Q | 93.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115.4 | 167.2 | 169.4 | -177 | 27.8 | 0 | 0 | 108.5 | R16 V50 V53 Y486 Y488 | R16-Q497 HydrophobicContact CB-CB 4.06Å; R16-Q497 PolarHBondContact N-O 2.87Å; R16-Q497 VanDerWaalsContact N-O 3.08Å; R16-Q497 PolarHBondContact O-N 2.86Å; V50-Q497 PolarHBondContact O-NE2 2.81Å; V53-Q497 HydrophobicContact CB-CB 4.49Å; V53-Q497 HydrophobicContact CG1-CB 4.01Å; V53-Q497 HydrophobicContact CG2-CB 3.63Å; V53-Q497 VanDerWaalsContact N-OE1 3.16Å; Y486-Q497 HydrophobicContact CD1-CG 3.5Å; Y486-Q497 VanDerWaalsContact CD1-CG 3.5Å; Y486-Q497 HydrophobicContact CE1-CG 4.09Å; Y486-Q497 HydrophobicContact CG-CG 4.01Å; Y488-Q497 HydrophobicContact CD1-CB 3.98Å; Y488-Q497 HydrophobicContact CD1-CG 4.22Å; Y488-Q497 HydrophobicContact CE1-CB 3.94Å; Y488-Q497 HydrophobicContact CE1-CG 3.74Å |
| 498 | L | 91.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130 | -175.6 | -49.7 | 179.7 | 0 | 0 | 0 | 110.1 | H15 I430 L453 Y486 L487 V489 I500 | H15-L498 WeakPolarHBondContact CD2-CD2 3.15Å; I430-L498 HydrophobicContact CG1-CD1 4.39Å; L453-L498 HydrophobicContact CD2-CD1 3.99Å; Y486-L498 CarbonylContact C-O 3.52Å; Y486-L498 VanDerWaalsContact CA-O 3.3Å; Y486-L498 WeakPolarHBondContact CA-O 3.4Å; L487-L498 HydrophobicContact CB-CB 4.28Å; L487-L498 HydrophobicContact CD2-CD1 4.44Å; L487-L498 PolarHBondContact N-O 3.32Å; L487-L498 PolarHBondContact O-N 2.88Å; V489-L498 HydrophobicContact CG2-CD1 4Å; L498-I500 PolarHBondContact O-N 2.93Å |
| 499 | A | 87 | Confident | 86.8 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y486 Q502 | Y486-A499 HydrophobicContact CD1-CB 4.46Å; Y486-A499 HydrophobicContact CE1-CB 4.2Å; A499-Q502 WeakPolarHBondContact O-CG 3.38Å; A499-Q502 PolarHBondContact O-NE2 2.8Å |
| 500 | I | 85.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 28 Ų | 28 | 9% | 0.092 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -69 | -43.3 | -179.6 | -80.5 | 175.7 | 0 | 0 | 0 | 111.6 | Y422 L464 K485 L487 L498 Q502 Y517 | Y422-I500 HydrophobicContact CE1-CG1 4.34Å; Y422-I500 HydrophobicContact CE2-CD1 3.94Å; Y422-I500 HydrophobicContact CE2-CG1 4.32Å; Y422-I500 WeakPolarHBondContact OH-CG2 3.41Å; L464-I500 HydrophobicContact CD1-CD1 3.4Å; L464-I500 VanDerWaalsContact CD1-CD1 3.4Å; L464-I500 HydrophobicContact CG-CD1 3.75Å; K485-I500 HydrophobicContact CB-CB 4.27Å; K485-I500 HydrophobicContact CB-CD1 3.86Å; K485-I500 PolarHBondContact O-N 3.05Å; K485-I500 VanDerWaalsContact O-N 3.14Å; L487-I500 HydrophobicContact CB-CD1 4.49Å; L487-I500 HydrophobicContact CB-CG1 4.22Å; L498-I500 PolarHBondContact O-N 2.93Å; I500-Q502 PolarHBondContact O-N 3.3Å; I500-Q502 VanDerWaalsContact O-N 3.13Å; I500-Y517 HydrophobicContact CG2-CD1 4.18Å; I500-Y517 HydrophobicContact CG2-CD2 3.73Å; I500-Y517 HydrophobicContact CG2-CE1 3.94Å; I500-Y517 HydrophobicContact CG2-CE2 3.47Å; I500-Y517 VanDerWaalsContact CG2-CE2 3.47Å; I500-Y517 HydrophobicContact CG2-CG 4.07Å |
| 501 | A | 81.9 | Confident | 84.8 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 16% | 0.157 | 16% | 0.155 | C | C | . | . | trans | -84.9 | 87.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | C503 R529 | A501-C503 VanDerWaalsContact C-N 3.32Å; A501-C503 PolarHBondContact O-N 2.74Å; A501-R529 HydrophobicContact CB-CG 4.12Å | ||
| 502 | Q | 79.6 | Confident | 84 | Confident | 64 Ų | 64 | 29.3 Ų | 29.3 | 30% | 0.299 | 16% | 0.155 | S | C | . | . | trans | -93.7 | 43.8 | 177 | -60.1 | -176.7 | -1.4 | 0 | 0 | 112.7 | Q451 A499 I500 D504 V505 | Q451-Q502 VanDerWaalsContact OE1-NE2 3.09Å; A499-Q502 WeakPolarHBondContact O-CG 3.38Å; A499-Q502 PolarHBondContact O-NE2 2.8Å; I500-Q502 PolarHBondContact O-N 3.3Å; I500-Q502 VanDerWaalsContact O-N 3.13Å; Q502-D504 PolarHBondContact O-N 3.38Å; Q502-V505 HydrophobicContact CB-CG2 4.34Å; Q502-V505 PolarHBondContact O-N 3.37Å; Q502-V505 VanDerWaalsContact O-N 3.12Å | ||
| 503 | C | 81.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -59.9 | -32.7 | -174.1 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | A501 V505 L506 C518 C527 R529 | A501-C503 VanDerWaalsContact C-N 3.32Å; A501-C503 PolarHBondContact O-N 2.74Å; C503-V505 PolarHBondContact O-N 3.41Å; C503-V505 VanDerWaalsContact O-N 3.08Å; C503-L506 WeakPolarHBondContact O-CB 3.46Å; C503-L506 PolarHBondContact O-N 2.94Å; C503-C518 WeakPolarHBondContact CA-SG 3.25Å; C503-C518 HydrophobicContact CB-CB 3.85Å; C503-C518 WeakPolarHBondContact CB-SG 3.36Å; C503-C518 WeakPolarHBondContact SG-CA 3.46Å; C503-C518 WeakPolarHBondContact SG-CB 3.49Å; C503-C518 CovalentContact SG-SG 2.04Å; C503-C518 PolarHBondContact SG-SG 3.44Å; C503-C527 HydrophobicContact CB-CB 4.5Å; C503-C527 WeakPolarHBondContact O-CB 3.26Å; C503-R529 HydrophobicContact CB-CG 4.44Å |
| 504 | D | 76.4 | Confident | 82.3 | Confident | 85 Ų | 85 | 29.5 Ų | 29.5 | 46% | 0.455 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -62.1 | -19.7 | 179.6 | -53.2 | -27.1 | 0 | 0 | 0 | 113.6 | Q502 | Q502-D504 PolarHBondContact O-N 3.38Š|
| 505 | V | 75 | Confident | 81.7 | Confident | 81 Ų | 81 | 30.2 Ų | 30.2 | 49% | 0.491 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -84.6 | -22.9 | 177.6 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | Q502 C503 R507 | Q502-V505 HydrophobicContact CB-CG2 4.34Å; Q502-V505 PolarHBondContact O-N 3.37Å; Q502-V505 VanDerWaalsContact O-N 3.12Å; C503-V505 PolarHBondContact O-N 3.41Å; C503-V505 VanDerWaalsContact O-N 3.08Å; V505-R507 PolarHBondContact O-N 3.04Å |
| 506 | L | 78 | Confident | 81 | Confident | 46 Ų | 46 | 30.6 Ų | 30.6 | 24% | 0.241 | 16% | 0.163 | C | C | . | . | trans | -82.4 | 105.7 | -177.1 | -55.4 | 175.3 | 0 | 0 | 0 | 109.5 | C503 C512 C518 C527 | C503-L506 WeakPolarHBondContact O-CB 3.46Å; C503-L506 PolarHBondContact O-N 2.94Å; L506-C512 HydrophobicContact CB-CB 4.43Å; L506-C518 HydrophobicContact CD1-CB 4.31Å; L506-C527 HydrophobicContact CB-CB 4.05Å; L506-C527 WeakPolarHBondContact O-CB 3.49Å | ||
| 507 | R | 74.5 | Confident | 80.4 | Confident | 134 Ų | 134 | 31.8 Ų | 31.8 | 51% | 0.506 | 17% | 0.167 | S | C | . | . | trans | -93.7 | -6.5 | -172.3 | -64.8 | -169.7 | 177.2 | 169.6 | 1.2 | 114.9 | V505 W520 Y573 E607 | V505-R507 PolarHBondContact O-N 3.04Å; R507-W520 WeakPolarHBondContact O-CH2 3.28Å; R507-Y573 HydrophobicContact CB-CD1 3.95Å; R507-Y573 HydrophobicContact CB-CG 4.46Å; R507-Y573 VanDerWaalsContact O-CB 3.26Å; R507-Y573 WeakPolarHBondContact O-CB 3.5Å; R507-E607 IonicContact NH1-OE1 2.81Å; R507-E607 IonicContact NH1-OE2 3.88Å; R507-E607 PolarHBondContact NH1-OE2 2.75Å; R507-E607 VanDerWaalsContact NH1-OE2 3.08Å | ||
| 508 | S | 73.4 | Confident | 80 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -126.5 | 152 | 180 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | T510 S511 C512 W520 Y573 | S508-T510 VanDerWaalsContact C-N 3.31Å; S508-T510 PolarHBondContact O-N 2.8Å; S508-T510 PolarHBondContact OG-OG1 3.34Å; S508-S511 PolarHBondContact N-OG 3.1Å; S508-S511 PolarHBondContact O-N 2.61Å; S508-S511 PolarHBondContact O-OG 2.87Å; S508-S511 VanDerWaalsContact OG-CB 3.3Å; S508-S511 WeakPolarHBondContact OG-CB 3.28Å; S508-S511 PolarHBondContact OG-N 3.12Å; S508-S511 PolarHBondContact OG-OG 2.92Å; S508-C512 VanDerWaalsContact O-CB 3.28Å; S508-C512 WeakPolarHBondContact O-CB 3.27Å; S508-C512 PolarHBondContact O-N 3.18Å; S508-W520 VanDerWaalsContact C-CZ3 3.49Å; S508-Y573 WeakPolarHBondContact CB-O 3.36Å |
| 509 | C | 75.4 | Confident | 79.5 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 11% | 0.108 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -50.5 | -47.9 | 172.6 | 147.7 | 0 | 0 | 0 | 0 | 112.5 | C512 A513 W520 C551 V552 | C509-C512 PolarHBondContact O-N 3.13Å; C509-A513 VanDerWaalsContact O-CB 3.31Å; C509-A513 WeakPolarHBondContact O-CB 3.36Å; C509-A513 PolarHBondContact O-N 2.9Å; C509-W520 HydrophobicContact CB-CD2 3.9Å; C509-W520 HydrophobicContact CB-CG 3.93Å; C509-W520 HydrophobicContact CB-CZ2 4.34Å; C509-C551 HydrophobicContact CB-CB 3.92Å; C509-C551 WeakPolarHBondContact CB-SG 3.31Å; C509-C551 WeakPolarHBondContact SG-CB 3.3Å; C509-C551 CovalentContact SG-SG 2.02Å; C509-C551 PolarHBondContact SG-SG 2.96Å; C509-V552 PolarHBondContact SG-N 3.46Å |
| 510 | T | 74.5 | Confident | 79.1 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 15% | 0.153 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | -179.1 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | S508 Q514 P549 V552 L644 | S508-T510 VanDerWaalsContact C-N 3.31Å; S508-T510 PolarHBondContact O-N 2.8Å; S508-T510 PolarHBondContact OG-OG1 3.34Å; T510-Q514 VanDerWaalsContact O-CG 3.31Å; T510-Q514 WeakPolarHBondContact O-CG 3.5Å; T510-Q514 PolarHBondContact O-N 3.16Å; T510-P549 HydrophobicContact CG2-CG 4.24Å; T510-V552 HydrophobicContact CG2-CG2 3.58Å; T510-L644 HydrophobicContact CG2-CD2 4.38Å |
| 511 | S | 75.7 | Confident | 78.6 | Confident | 29 Ų | 29 | 30.8 Ų | 30.8 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -38.4 | 175.1 | 66 | 0 | 0 | 0 | 0 | 112.9 | S508 | S508-S511 PolarHBondContact N-OG 3.1Å; S508-S511 PolarHBondContact O-N 2.61Å; S508-S511 PolarHBondContact O-OG 2.87Å; S508-S511 VanDerWaalsContact OG-CB 3.3Å; S508-S511 WeakPolarHBondContact OG-CB 3.28Å; S508-S511 PolarHBondContact OG-N 3.12Å; S508-S511 PolarHBondContact OG-OG 2.92Å |
| 512 | C | 80.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.3 | -45.2 | -178.5 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | L506 S508 C509 Q514 S515 W520 C527 | L506-C512 HydrophobicContact CB-CB 4.43Å; S508-C512 VanDerWaalsContact O-CB 3.28Å; S508-C512 WeakPolarHBondContact O-CB 3.27Å; S508-C512 PolarHBondContact O-N 3.18Å; C509-C512 PolarHBondContact O-N 3.13Å; C512-Q514 PolarHBondContact O-N 3.05Å; C512-S515 PolarHBondContact O-N 3.36Å; C512-W520 HydrophobicContact CB-CB 4.32Å; C512-W520 HydrophobicContact CB-CE3 3.75Å; C512-C527 VanDerWaalsContact CA-SG 3.58Å; C512-C527 HydrophobicContact CB-CB 3.7Å; C512-C527 WeakPolarHBondContact CB-SG 3.48Å; C512-C527 VanDerWaalsContact SG-CA 3.56Å; C512-C527 WeakPolarHBondContact SG-CB 3.18Å; C512-C527 CovalentContact SG-SG 2.03Å; C512-C527 PolarHBondContact SG-SG 3.01Å |
| 513 | A | 78.2 | Confident | 77.6 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.3 | -16.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | C509 S515 P549 | C509-A513 VanDerWaalsContact O-CB 3.31Å; C509-A513 WeakPolarHBondContact O-CB 3.36Å; C509-A513 PolarHBondContact O-N 2.9Å; A513-S515 VanDerWaalsContact C-N 3.31Å; A513-P549 HydrophobicContact CB-CB 3.58Å; A513-P549 HydrophobicContact CB-CG 3.88Å |
| 514 | Q | 78.5 | Confident | 77.1 | Confident | 73 Ų | 73 | 39.5 Ų | 39.5 | 34% | 0.341 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -21.2 | 173.9 | -72.6 | 174 | 5.1 | 0 | 0 | 113.2 | L448 T510 C512 P546 | L448-Q514 HydrophobicContact CD2-CB 3.67Å; T510-Q514 VanDerWaalsContact O-CG 3.31Å; T510-Q514 WeakPolarHBondContact O-CG 3.5Å; T510-Q514 PolarHBondContact O-N 3.16Å; C512-Q514 PolarHBondContact O-N 3.05Å; Q514-P546 HydrophobicContact CG-CB 4.36Å |
| 515 | S | 83.3 | Confident | 76.9 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -94.1 | 119.7 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | C512 A513 Y517 C518 | C512-S515 PolarHBondContact O-N 3.36Å; A513-S515 VanDerWaalsContact C-N 3.31Å; S515-Y517 PolarHBondContact O-N 2.88Å; S515-Y517 VanDerWaalsContact O-N 3.07Å; S515-C518 PolarHBondContact O-N 3.03Å; S515-C518 PolarHBondContact OG-SG 2.88Å |
| 516 | P | 81.4 | Confident | 77.1 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -10.6 | 179 | 28.2 | -34.9 | 0 | 0 | 0 | 113.3 | P411 V413 F418 V420 | P411-P516 HydrophobicContact CB-CB 4.18Å; P411-P516 HydrophobicContact CB-CG 4.37Å; P411-P516 HydrophobicContact CG-CB 3.81Å; P411-P516 HydrophobicContact CG-CG 3.57Å; V413-P516 HydrophobicContact CG2-CB 3.96Å; F418-P516 HydrophobicContact CB-CB 3.79Å; F418-P516 HydrophobicContact CB-CG 4.11Å; F418-P516 HydrophobicContact CG-CB 4.24Å; V420-P516 HydrophobicContact CG2-CG 3.48Å; V420-P516 VanDerWaalsContact CG2-CG 3.48Å |
| 517 | Y | 84 | Confident | 77.2 | Confident | 24 Ų | 24 | 35.8 Ų | 35.8 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -9 | 176.8 | -51.8 | -71.3 | 0 | 0 | 0 | 113.4 | D409 P411 V420 Y422 I500 S515 R529 T530 | D409-Y517 VanDerWaalsContact CB-OH 3.26Å; D409-Y517 WeakPolarHBondContact CB-OH 3.1Å; D409-Y517 VanDerWaalsContact CG-OH 3.3Å; D409-Y517 VanDerWaalsContact OD2-CE1 3.29Å; D409-Y517 WeakPolarHBondContact OD2-CE1 3.36Å; D409-Y517 PolarHBondContact OD2-OH 2.83Å; P411-Y517 HydrophobicContact CB-CE1 3.96Å; P411-Y517 HydrophobicContact CG-CE1 4.06Å; V420-Y517 HydrophobicContact CB-CE2 4.37Å; V420-Y517 HydrophobicContact CG1-CE2 4.38Å; V420-Y517 HydrophobicContact CG2-CE2 3.92Å; Y422-Y517 WeakPolarHBondContact OH-CE2 3.19Å; I500-Y517 HydrophobicContact CG2-CD1 4.18Å; I500-Y517 HydrophobicContact CG2-CD2 3.73Å; I500-Y517 HydrophobicContact CG2-CE1 3.94Å; I500-Y517 HydrophobicContact CG2-CE2 3.47Å; I500-Y517 VanDerWaalsContact CG2-CE2 3.47Å; I500-Y517 HydrophobicContact CG2-CG 4.07Å; S515-Y517 PolarHBondContact O-N 2.88Å; S515-Y517 VanDerWaalsContact O-N 3.07Å; Y517-R529 WeakPolarHBondContact O-CA 3.4Å; Y517-T530 PolarHBondContact O-N 2.92Å; Y517-T530 PolarHBondContact O-OG1 3.06Å |
| 518 | C | 84.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 155 | -169.9 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | C503 L506 S515 C527 Y528 T530 | C503-C518 WeakPolarHBondContact CA-SG 3.25Å; C503-C518 HydrophobicContact CB-CB 3.85Å; C503-C518 WeakPolarHBondContact CB-SG 3.36Å; C503-C518 WeakPolarHBondContact SG-CA 3.46Å; C503-C518 WeakPolarHBondContact SG-CB 3.49Å; C503-C518 CovalentContact SG-SG 2.04Å; C503-C518 PolarHBondContact SG-SG 3.44Å; L506-C518 HydrophobicContact CD1-CB 4.31Å; S515-C518 PolarHBondContact O-N 3.03Å; S515-C518 PolarHBondContact OG-SG 2.88Å; C518-C527 WeakPolarHBondContact CB-SG 3.21Å; C518-Y528 CarbonylContact C-O 3.56Å; C518-Y528 VanDerWaalsContact CA-O 3.25Å; C518-Y528 WeakPolarHBondContact CA-O 3.12Å; C518-T530 WeakPolarHBondContact O-CG2 3.27Å |
| 519 | A | 80.4 | Confident | 77.7 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 137 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y528 T530 A533 I539 | A519-Y528 PolarHBondContact N-O 2.78Å; A519-Y528 PolarHBondContact O-N 2.9Å; A519-T530 HydrophobicContact CB-CG2 4.1Å; A519-A533 HydrophobicContact CB-CB 4.17Å; A519-I539 HydrophobicContact CB-CG2 3.63Å |
| 520 | W | 79.2 | Confident | 77.4 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.7 | -178.2 | -175.2 | -105 | 0 | 0 | 0 | 111.8 | R507 S508 C509 C512 Q525 C527 C551 | R507-W520 WeakPolarHBondContact O-CH2 3.28Å; S508-W520 VanDerWaalsContact C-CZ3 3.49Å; C509-W520 HydrophobicContact CB-CD2 3.9Å; C509-W520 HydrophobicContact CB-CG 3.93Å; C509-W520 HydrophobicContact CB-CZ2 4.34Å; C512-W520 HydrophobicContact CB-CB 4.32Å; C512-W520 HydrophobicContact CB-CE3 3.75Å; W520-Q525 HydrophobicContact CH2-CB 4.37Å; W520-Q525 VanDerWaalsContact CH2-O 3.28Å; W520-Q525 WeakPolarHBondContact CH2-O 3.33Å; W520-Q525 VanDerWaalsContact CZ2-CA 3.5Å; W520-Q525 HydrophobicContact CZ2-CB 3.96Å; W520-C527 HydrophobicContact CE3-CB 3.94Å; W520-C527 HydrophobicContact CZ3-CB 4.12Å; W520-C551 HydrophobicContact CB-CB 4.38Å; W520-C551 HydrophobicContact CG-CB 4.27Å |
| 521 | D | 76 | Confident | 76.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 106.7 | 166.9 | -175.4 | -29.2 | 0 | 0 | 0 | 109 | I523 R524 Q525 L526 Y528 I539 | D521-I523 VanDerWaalsContact C-N 3.28Å; D521-I523 PolarHBondContact O-N 2.82Å; D521-I523 WeakPolarHBondContact OD1-CA 3.3Å; D521-I523 WeakPolarHBondContact OD1-CB 3.47Å; D521-I523 PolarHBondContact OD1-N 3.18Å; D521-R524 HydrophobicContact CB-CB 4.23Å; D521-R524 PolarHBondContact OD1-N 3.26Å; D521-R524 WeakPolarHBondContact OD2-CD 3.22Å; D521-R524 WeakPolarHBondContact OD2-CG 3.04Å; D521-R524 IonicContact OD2-CZ 2.78Å; D521-R524 IonicContact OD2-NE 3.84Å; D521-R524 IonicContact OD2-NH1 2.73Å; D521-R524 PolarHBondContact OD2-NH1 2.7Å; D521-Q525 VanDerWaalsContact O-CA 3.23Å; D521-Q525 WeakPolarHBondContact O-CA 3.06Å; D521-Q525 PolarHBondContact O-N 3.24Å; D521-L526 WeakPolarHBondContact CB-O 3.5Å; D521-L526 PolarHBondContact N-O 3.2Å; D521-L526 PolarHBondContact O-N 3.03Å; D521-Y528 HydrophobicContact CB-CD2 3.84Å; D521-Y528 HydrophobicContact CB-CE2 3.8Å; D521-I539 HydrophobicContact CB-CD1 4.38Å; D521-I539 HydrophobicContact CB-CG1 3.99Å |
| 522 | S | 70.5 | Confident | 75.5 | Confident | 34 Ų | 34 | 43.1 Ų | 43.1 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.9 | -179.8 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | Q525 | S522-Q525 PolarHBondContact O-NE2 3.07Š|
| 523 | I | 68.4 | Low | 73.9 | Confident | 108 Ų | 108 | 43.6 Ų | 43.6 | 55% | 0.554 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -50.1 | -179.9 | -59.5 | 175.4 | 0 | 0 | 0 | 109 | D521 R556 | D521-I523 VanDerWaalsContact C-N 3.28Å; D521-I523 PolarHBondContact O-N 2.82Å; D521-I523 WeakPolarHBondContact OD1-CA 3.3Å; D521-I523 WeakPolarHBondContact OD1-CB 3.47Å; D521-I523 PolarHBondContact OD1-N 3.18Å; I523-R556 PolarHBondContact O-NH1 2.86Å |
| 524 | R | 72.1 | Confident | 72.4 | Confident | 125 Ų | 125 | 49.9 Ų | 49.9 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -16.7 | -179.6 | -64.5 | -173.9 | 177.5 | 86.7 | 0.7 | 113.8 | D521 L526 Y528 | D521-R524 HydrophobicContact CB-CB 4.23Å; D521-R524 PolarHBondContact OD1-N 3.26Å; D521-R524 WeakPolarHBondContact OD2-CD 3.22Å; D521-R524 WeakPolarHBondContact OD2-CG 3.04Å; D521-R524 IonicContact OD2-CZ 2.78Å; D521-R524 IonicContact OD2-NE 3.84Å; D521-R524 IonicContact OD2-NH1 2.73Å; D521-R524 PolarHBondContact OD2-NH1 2.7Å; R524-L526 VanDerWaalsContact C-N 3.27Å; R524-L526 HydrophobicContact CB-CB 4.33Å; R524-L526 HydrophobicContact CB-CD1 4.28Å; R524-L526 HydrophobicContact CB-CG 4.39Å; R524-L526 PolarHBondContact O-N 3.38Å; R524-Y528 WeakPolarHBondContact CD-OH 3.4Å |
| 525 | Q | 72.9 | Confident | 70.8 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 43.9 | -173.3 | -61 | -75.1 | -54.9 | 0 | 0 | 111.5 | W520 D521 S522 | W520-Q525 HydrophobicContact CH2-CB 4.37Å; W520-Q525 VanDerWaalsContact CH2-O 3.28Å; W520-Q525 WeakPolarHBondContact CH2-O 3.33Å; W520-Q525 VanDerWaalsContact CZ2-CA 3.5Å; W520-Q525 HydrophobicContact CZ2-CB 3.96Å; D521-Q525 VanDerWaalsContact O-CA 3.23Å; D521-Q525 WeakPolarHBondContact O-CA 3.06Å; D521-Q525 PolarHBondContact O-N 3.24Å; S522-Q525 PolarHBondContact O-NE2 3.07Å |
| 526 | L | 79 | Confident | 68.9 | Low | 90 Ų | 90 | 58.6 Ų | 58.6 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 145.5 | -178.2 | -71.9 | 173.7 | 0 | 0 | 0 | 110.2 | D521 R524 Y528 | D521-L526 WeakPolarHBondContact CB-O 3.5Å; D521-L526 PolarHBondContact N-O 3.2Å; D521-L526 PolarHBondContact O-N 3.03Å; R524-L526 VanDerWaalsContact C-N 3.27Å; R524-L526 HydrophobicContact CB-CB 4.33Å; R524-L526 HydrophobicContact CB-CD1 4.28Å; R524-L526 HydrophobicContact CB-CG 4.39Å; R524-L526 PolarHBondContact O-N 3.38Å; L526-Y528 HydrophobicContact CB-CD2 4.32Å; L526-Y528 HydrophobicContact CB-CE2 3.6Å; L526-Y528 VanDerWaalsContact CD1-OH 3.23Å; L526-Y528 WeakPolarHBondContact CD1-OH 3.32Å |
| 527 | C | 80.3 | Confident | 67.2 | Low | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.034 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.6 | 175.7 | -171.2 | 0 | 0 | 0 | 0 | 109.6 | C503 L506 C512 C518 W520 | C503-C527 HydrophobicContact CB-CB 4.5Å; C503-C527 WeakPolarHBondContact O-CB 3.26Å; L506-C527 HydrophobicContact CB-CB 4.05Å; L506-C527 WeakPolarHBondContact O-CB 3.49Å; C512-C527 VanDerWaalsContact CA-SG 3.58Å; C512-C527 HydrophobicContact CB-CB 3.7Å; C512-C527 WeakPolarHBondContact CB-SG 3.48Å; C512-C527 VanDerWaalsContact SG-CA 3.56Å; C512-C527 WeakPolarHBondContact SG-CB 3.18Å; C512-C527 CovalentContact SG-SG 2.03Å; C512-C527 PolarHBondContact SG-SG 3.01Å; C518-C527 WeakPolarHBondContact CB-SG 3.21Å; W520-C527 HydrophobicContact CE3-CB 3.94Å; W520-C527 HydrophobicContact CZ3-CB 4.12Å |
| 528 | Y | 81.5 | Confident | 65.4 | Low | 68 Ų | 68 | 61.9 Ų | 61.9 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 167.3 | 178.7 | -66.6 | -75.8 | 0 | 0 | 0 | 110.4 | C518 A519 D521 R524 L526 I539 | C518-Y528 CarbonylContact C-O 3.56Å; C518-Y528 VanDerWaalsContact CA-O 3.25Å; C518-Y528 WeakPolarHBondContact CA-O 3.12Å; A519-Y528 PolarHBondContact N-O 2.78Å; A519-Y528 PolarHBondContact O-N 2.9Å; D521-Y528 HydrophobicContact CB-CD2 3.84Å; D521-Y528 HydrophobicContact CB-CE2 3.8Å; R524-Y528 WeakPolarHBondContact CD-OH 3.4Å; L526-Y528 HydrophobicContact CB-CD2 4.32Å; L526-Y528 HydrophobicContact CB-CE2 3.6Å; L526-Y528 VanDerWaalsContact CD1-OH 3.23Å; L526-Y528 WeakPolarHBondContact CD1-OH 3.32Å; Y528-I539 HydrophobicContact CD2-CD1 4.25Å |
| 529 | R | 76.3 | Confident | 63.6 | Low | 40 Ų | 40 | 62.5 Ų | 62.5 | 15% | 0.151 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 142.1 | 171.2 | -54.2 | 170.7 | 171.6 | 174.9 | -15.4 | 109.9 | E484 A501 C503 Y517 K531 H532 A533 | E484-R529 IonicContact OE1-CZ 3.84Å; E484-R529 IonicContact OE1-NH1 2.86Å; E484-R529 PolarHBondContact OE1-NH1 2.67Å; E484-R529 IonicContact OE1-NH2 3.78Å; A501-R529 HydrophobicContact CB-CG 4.12Å; C503-R529 HydrophobicContact CB-CG 4.44Å; Y517-R529 WeakPolarHBondContact O-CA 3.4Å; R529-K531 PolarHBondContact O-N 3.24Å; R529-K531 VanDerWaalsContact O-N 3.13Å; R529-H532 PolarHBondContact O-N 3.34Å; R529-A533 PolarHBondContact O-N 3.1Å |
| 530 | T | 67.8 | Low | 62.2 | Low | 49 Ų | 49 | 70.2 Ų | 70.2 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.4 | -37 | -179 | 46.5 | 0 | 0 | 0 | 0 | 113.5 | Y517 C518 A519 H532 A533 | Y517-T530 PolarHBondContact O-N 2.92Å; Y517-T530 PolarHBondContact O-OG1 3.06Å; C518-T530 WeakPolarHBondContact O-CG2 3.27Å; A519-T530 HydrophobicContact CB-CG2 4.1Å; T530-H532 VanDerWaalsContact C-N 3.34Å; T530-H532 PolarHBondContact O-N 2.9Å; T530-A533 WeakPolarHBondContact O-CB 3.49Å; T530-A533 PolarHBondContact O-N 3.19Å |
| 531 | K | 61.2 | Low | 61 | Low | 131 Ų | 131 | 72.4 Ų | 72.4 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -75.7 | -16 | 180 | -64.3 | -174.3 | 179.5 | -179.7 | 0 | 114.9 | Q483 R529 | Q483-K531 HydrophobicContact CB-CD 4.22Å; Q483-K531 VanDerWaalsContact CB-NZ 3.25Å; R529-K531 PolarHBondContact O-N 3.24Å; R529-K531 VanDerWaalsContact O-N 3.13Å |
| 532 | H | 50.3 | Low | 59.9 | Low | 82 Ų | 82 | 73.8 Ų | 73.8 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -84 | -17.9 | 169.6 | -68.4 | -63 | 0 | 0 | 0 | 112.2 | R529 T530 | R529-H532 PolarHBondContact O-N 3.34Å; T530-H532 VanDerWaalsContact C-N 3.34Å; T530-H532 PolarHBondContact O-N 2.9Å |
| 533 | A | 46.1 | Very low | 59.1 | Low | 9 Ų | 9 | 72.7 Ų | 72.7 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A519 R529 T530 R535 I539 | A519-A533 HydrophobicContact CB-CB 4.17Å; R529-A533 PolarHBondContact O-N 3.1Å; T530-A533 WeakPolarHBondContact O-CB 3.49Å; T530-A533 PolarHBondContact O-N 3.19Å; A533-R535 PolarHBondContact O-N 3.34Å; A533-I539 HydrophobicContact CB-CB 3.58Å; A533-I539 HydrophobicContact CB-CD1 4.12Å; A533-I539 HydrophobicContact CB-CG1 4.43Å; A533-I539 HydrophobicContact CB-CG2 3.34Å |
| 534 | D | 46.5 | Very low | 58.4 | Low | 138 Ų | 138 | 70.4 Ų | 70.4 | 74% | 0.738 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.7 | -171.6 | -149.4 | 16.4 | 0 | 0 | 0 | 113 | N536 | D534-N536 PolarHBondContact O-N 3.13Š|
| 535 | R | 46.4 | Very low | 58 | Low | 164 Ų | 164 | 66.8 Ų | 66.8 | 62% | 0.619 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -23.6 | -172.8 | -140 | 179.9 | -169.7 | -176.1 | 4.4 | 114.6 | A533 | A533-R535 PolarHBondContact O-N 3.34Š|
| 536 | N | 42.8 | Very low | 57.4 | Low | 105 Ų | 105 | 65.6 Ų | 65.6 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -113.3 | 0.2 | -174.9 | -77.7 | -10 | 0 | 0 | 0 | 114 | D534 S538 | D534-N536 PolarHBondContact O-N 3.13Å; N536-S538 PolarHBondContact O-N 2.88Å |
| 537 | G | 44.9 | Very low | 56.7 | Low | 65 Ų | 65 | 65.5 Ų | 65.5 | 67% | 0.67 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 60.7 | -2.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 538 | S | 46.2 | Very low | 56.1 | Low | 38 Ų | 38 | 72.3 Ų | 72.3 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | trans | -101.4 | 9.2 | -170.1 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | N536 | N536-S538 PolarHBondContact O-N 2.88Š| ||
| 539 | I | 46.4 | Very low | 55.5 | Low | 13 Ų | 13 | 69.5 Ų | 69.5 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | trans | -133.9 | 104.6 | -171.3 | -59.6 | 166 | 0 | 0 | 0 | 109.1 | A519 D521 Y528 A533 | A519-I539 HydrophobicContact CB-CG2 3.63Å; D521-I539 HydrophobicContact CB-CD1 4.38Å; D521-I539 HydrophobicContact CB-CG1 3.99Å; Y528-I539 HydrophobicContact CD2-CD1 4.25Å; A533-I539 HydrophobicContact CB-CB 3.58Å; A533-I539 HydrophobicContact CB-CD1 4.12Å; A533-I539 HydrophobicContact CB-CG1 4.43Å; A533-I539 HydrophobicContact CB-CG2 3.34Å | ||
| 540 | K | 51.7 | Low | 55 | Low | 166 Ų | 166 | 69.6 Ų | 69.6 | 72% | 0.722 | 37% | 0.373 | S | S | * | . | trans | -150.9 | 68.8 | 174.9 | -68.2 | -161.8 | 179.4 | -168.2 | 0 | 113.2 | ||||
| 541 | F | 53.4 | Low | 55.2 | Low | 53 Ų | 53 | 67.5 Ų | 67.5 | 23% | 0.232 | 36% | 0.36 | C | S | . | . | trans | -138.8 | 73.2 | 155.7 | -54.5 | -68.8 | 0 | 0 | 0 | 109 | A550 C551 | F541-A550 HydrophobicContact CD1-CB 3.31Å; F541-A550 HydrophobicContact CE1-CB 3.75Å; F541-A550 HydrophobicContact CG-CB 4.23Å; F541-C551 HydrophobicContact CB-CB 3.8Å; F541-C551 HydrophobicContact CD2-CB 3.48Å; F541-C551 VanDerWaalsContact CD2-CB 3.48Å; F541-C551 HydrophobicContact CE2-CB 4.16Å; F541-C551 HydrophobicContact CG-CB 3.75Å | ||
| 542 | S | 53.5 | Low | 55.5 | Low | 28 Ų | 28 | 62.9 Ų | 62.9 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -81.4 | 112.6 | 148.4 | -163.8 | 0 | 0 | 0 | 0 | 104.2 | V413 T544 | V413-S542 WeakPolarHBondContact CG1-OG 3.44Å; S542-T544 PolarHBondContact O-N 3.03Å | ||
| 543 | S | 52.7 | Low | 56.3 | Low | 12 Ų | 12 | 67.6 Ų | 67.6 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | trans | -75.6 | 125.7 | -180 | -163.6 | 0 | 0 | 0 | 0 | 108.2 | N545 E548 | S543-N545 WeakPolarHBondContact CB-O 3.18Å; S543-N545 PolarHBondContact O-N 3.01Å; S543-N545 VanDerWaalsContact OG-C 3.27Å; S543-N545 PolarHBondContact OG-N 3.41Å; S543-N545 PolarHBondContact OG-O 2.89Å; S543-E548 PolarHBondContact OG-O 3.05Å | ||
| 544 | T | 55.1 | Low | 57.2 | Low | 59 Ų | 59 | 69.6 Ų | 69.6 | 36% | 0.362 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -61.1 | -18.7 | 164.9 | 53 | 0 | 0 | 0 | 0 | 111.6 | D414 S542 | D414-T544 HydrophobicContact CB-CG2 3.93Å; S542-T544 PolarHBondContact O-N 3.03Å |
| 545 | N | 62.5 | Low | 58.2 | Low | 50 Ų | 50 | 65 Ų | 65 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -120.5 | 102.4 | 170.5 | -172 | 0.8 | 0 | 0 | 0 | 111.9 | S543 T547 E548 | S543-N545 WeakPolarHBondContact CB-O 3.18Å; S543-N545 PolarHBondContact O-N 3.01Å; S543-N545 VanDerWaalsContact OG-C 3.27Å; S543-N545 PolarHBondContact OG-N 3.41Å; S543-N545 PolarHBondContact OG-O 2.89Å; N545-T547 VanDerWaalsContact CG-OG1 3.31Å; N545-T547 PolarHBondContact ND2-OG1 3.4Å; N545-T547 VanDerWaalsContact ND2-OG1 3.12Å; N545-T547 PolarHBondContact O-N 2.78Å; N545-T547 VanDerWaalsContact O-N 3.12Å; N545-T547 PolarHBondContact OD1-N 2.77Å; N545-T547 VanDerWaalsContact OD1-N 3.09Å; N545-T547 PolarHBondContact OD1-OG1 2.7Å; N545-E548 CarbonylContact O-C 3.56Å; N545-E548 PolarHBondContact O-N 3Å; N545-E548 VanDerWaalsContact O-N 3.12Å |
| 546 | P | 61.8 | Low | 59.2 | Low | 12 Ų | 12 | 63.9 Ų | 63.9 | 8% | 0.078 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.3 | 177 | -27.2 | 36.5 | 0 | 0 | 0 | 114.7 | F418 Q514 E548 | F418-P546 HydrophobicContact CE1-CG 4.19Å; Q514-P546 HydrophobicContact CG-CB 4.36Å; P546-E548 VanDerWaalsContact C-N 3.35Å |
| 547 | T | 63.9 | Low | 61 | Low | 89 Ų | 89 | 67.5 Ų | 67.5 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -24.4 | -179 | 70.7 | 0 | 0 | 0 | 0 | 112.4 | W436 N545 | W436-T547 HydrophobicContact CH2-CG2 4.21Å; W436-T547 HydrophobicContact CZ2-CG2 4.15Å; N545-T547 VanDerWaalsContact CG-OG1 3.31Å; N545-T547 PolarHBondContact ND2-OG1 3.4Å; N545-T547 VanDerWaalsContact ND2-OG1 3.12Å; N545-T547 PolarHBondContact O-N 2.78Å; N545-T547 VanDerWaalsContact O-N 3.12Å; N545-T547 PolarHBondContact OD1-N 2.77Å; N545-T547 VanDerWaalsContact OD1-N 3.09Å; N545-T547 PolarHBondContact OD1-OG1 2.7Å |
| 548 | E | 66.3 | Low | 62.9 | Low | 148 Ų | 148 | 66 Ų | 66 | 69% | 0.692 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -131.8 | 74.6 | 178.8 | -67.1 | -175.7 | -179.8 | 0 | 0 | 110.5 | S543 N545 P546 A550 | S543-E548 PolarHBondContact OG-O 3.05Å; N545-E548 CarbonylContact O-C 3.56Å; N545-E548 PolarHBondContact O-N 3Å; N545-E548 VanDerWaalsContact O-N 3.12Å; P546-E548 VanDerWaalsContact C-N 3.35Å; E548-A550 PolarHBondContact O-N 2.96Å |
| 549 | P | 68.7 | Low | 65 | Low | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | trans | -65.8 | 128.8 | -179.7 | -10.2 | 21.9 | 0 | 0 | 0 | 111.4 | T510 A513 C551 V552 | T510-P549 HydrophobicContact CG2-CG 4.24Å; A513-P549 HydrophobicContact CB-CB 3.58Å; A513-P549 HydrophobicContact CB-CG 3.88Å; P549-C551 PolarHBondContact O-N 2.91Å; P549-C551 VanDerWaalsContact O-N 3.07Å; P549-V552 HydrophobicContact CB-CG2 4.05Å; P549-V552 HydrophobicContact CG-CG2 3.87Å; P549-V552 VanDerWaalsContact O-CB 3.24Å; P549-V552 WeakPolarHBondContact O-CB 3.29Å; P549-V552 PolarHBondContact O-N 2.86Å | ||
| 550 | A | 67.8 | Low | 67.1 | Low | 42 Ų | 42 | 71.9 Ų | 71.9 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -57.6 | -25.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F541 E548 V552 Q553 | F541-A550 HydrophobicContact CD1-CB 3.31Å; F541-A550 HydrophobicContact CE1-CB 3.75Å; F541-A550 HydrophobicContact CG-CB 4.23Å; E548-A550 PolarHBondContact O-N 2.96Å; A550-V552 PolarHBondContact O-N 2.92Å; A550-Q553 PolarHBondContact O-N 3.38Å |
| 551 | C | 71.4 | Confident | 68.9 | Low | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -65.8 | -20.4 | 173.9 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | C509 W520 F541 P549 Q553 S554 | C509-C551 HydrophobicContact CB-CB 3.92Å; C509-C551 WeakPolarHBondContact CB-SG 3.31Å; C509-C551 WeakPolarHBondContact SG-CB 3.3Å; C509-C551 CovalentContact SG-SG 2.02Å; C509-C551 PolarHBondContact SG-SG 2.96Å; W520-C551 HydrophobicContact CB-CB 4.38Å; W520-C551 HydrophobicContact CG-CB 4.27Å; F541-C551 HydrophobicContact CB-CB 3.8Å; F541-C551 HydrophobicContact CD2-CB 3.48Å; F541-C551 VanDerWaalsContact CD2-CB 3.48Å; F541-C551 HydrophobicContact CE2-CB 4.16Å; F541-C551 HydrophobicContact CG-CB 3.75Å; P549-C551 PolarHBondContact O-N 2.91Å; P549-C551 VanDerWaalsContact O-N 3.07Å; C551-Q553 VanDerWaalsContact C-N 3.26Å; C551-Q553 PolarHBondContact O-N 3.18Å; C551-S554 WeakPolarHBondContact O-CB 3.47Å; C551-S554 PolarHBondContact O-N 2.74Å |
| 552 | V | 67.2 | Low | 70.5 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -65 | -32.4 | 177.4 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | C509 T510 P549 A550 S554 V555 T642 | C509-V552 PolarHBondContact SG-N 3.46Å; T510-V552 HydrophobicContact CG2-CG2 3.58Å; P549-V552 HydrophobicContact CB-CG2 4.05Å; P549-V552 HydrophobicContact CG-CG2 3.87Å; P549-V552 VanDerWaalsContact O-CB 3.24Å; P549-V552 WeakPolarHBondContact O-CB 3.29Å; P549-V552 PolarHBondContact O-N 2.86Å; A550-V552 PolarHBondContact O-N 2.92Å; V552-S554 PolarHBondContact O-N 2.97Å; V552-S554 VanDerWaalsContact O-N 3.17Å; V552-V555 WeakPolarHBondContact O-CG2 3.42Å; V552-T642 HydrophobicContact CB-CG2 4.34Å; V552-T642 HydrophobicContact CG1-CG2 3.15Å; V552-T642 HydrophobicContact CG2-CG2 4.24Å |
| 553 | Q | 66.3 | Low | 72 | Confident | 180 Ų | 180 | 69.1 Ų | 69.1 | 84% | 0.841 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -69.1 | -12.1 | 176.7 | -62.3 | -177.5 | 1 | 0 | 0 | 112.4 | A550 C551 | A550-Q553 PolarHBondContact O-N 3.38Å; C551-Q553 VanDerWaalsContact C-N 3.26Å; C551-Q553 PolarHBondContact O-N 3.18Å |
| 554 | S | 64.9 | Low | 73.4 | Confident | 51 Ų | 51 | 70.6 Ų | 70.6 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -107.5 | 41.2 | -176.4 | -58.9 | 0 | 0 | 0 | 0 | 112.5 | C551 V552 R556 | C551-S554 WeakPolarHBondContact O-CB 3.47Å; C551-S554 PolarHBondContact O-N 2.74Å; V552-S554 PolarHBondContact O-N 2.97Å; V552-S554 VanDerWaalsContact O-N 3.17Å; S554-R556 PolarHBondContact O-N 3.21Å |
| 555 | V | 67.5 | Low | 74.6 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 26% | 0.261 | 35% | 0.354 | S | S | . | . | trans | -63.8 | 106.5 | 175.5 | -169.2 | 0 | 0 | 0 | 0 | 109.6 | V552 R557 K643 | V552-V555 WeakPolarHBondContact O-CG2 3.42Å; V555-R557 PolarHBondContact O-N 2.93Å; V555-K643 HydrophobicContact CG2-CB 4.03Å; V555-K643 WeakPolarHBondContact CG2-O 3.38Å | ||
| 556 | R | 68.7 | Low | 75.7 | Confident | 139 Ų | 139 | 69.6 Ų | 69.6 | 53% | 0.525 | 36% | 0.356 | S | S | . | . | trans | -65.5 | 129 | 176.6 | -175.8 | 177 | 177.6 | -175.1 | -2.3 | 109.5 | I523 S554 I558 | I523-R556 PolarHBondContact O-NH1 2.86Å; S554-R556 PolarHBondContact O-N 3.21Å; R556-I558 PolarHBondContact O-N 3.43Å | ||
| 557 | R | 79.5 | Confident | 77 | Confident | 181 Ų | 181 | 72.6 Ų | 72.6 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 117.3 | 165.6 | -68.4 | -172.2 | -177.2 | 179.8 | 2.2 | 109 | V555 S646 | V555-R557 PolarHBondContact O-N 2.93Å; R557-S646 CarbonylContact C-O 3.59Å; R557-S646 WeakPolarHBondContact CA-O 3.39Å |
| 558 | I | 84.9 | Confident | 78.3 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 105.6 | 177.5 | -57.9 | 172 | 0 | 0 | 0 | 107.6 | R556 K560 V645 S646 Y647 N648 | R556-I558 PolarHBondContact O-N 3.43Å; I558-K560 HydrophobicContact CG2-CG 4.25Å; I558-V645 HydrophobicContact CD1-CG2 4.04Å; I558-S646 PolarHBondContact N-O 3.44Å; I558-Y647 HydrophobicContact CB-CD1 3.75Å; I558-Y647 HydrophobicContact CB-CE1 3.93Å; I558-Y647 HydrophobicContact CB-CG 4.46Å; I558-Y647 HydrophobicContact CD1-CD1 4.35Å; I558-Y647 HydrophobicContact CD1-CE1 3.73Å; I558-Y647 HydrophobicContact CG1-CE1 4.43Å; I558-Y647 HydrophobicContact CG2-CD1 3.86Å; I558-Y647 HydrophobicContact CG2-CE1 3.83Å; I558-Y647 CarbonylContact O-C 3.59Å; I558-Y647 VanDerWaalsContact O-CA 3.31Å; I558-Y647 WeakPolarHBondContact O-CA 3.33Å; I558-N648 PolarHBondContact O-N 2.88Å |
| 559 | T | 91.1 | Very high | 79.4 | Confident | 80 Ų | 80 | 65.3 Ų | 65.3 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.6 | 174.3 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | N648 L650 | T559-N648 CarbonylContact C-O 3.54Å; T559-N648 VanDerWaalsContact CA-O 3.31Å; T559-N648 WeakPolarHBondContact CA-O 3.42Å; T559-L650 HydrophobicContact CG2-CD1 3.49Å; T559-L650 VanDerWaalsContact CG2-CD1 3.49Å; T559-L650 HydrophobicContact CG2-CG 3.81Å |
| 560 | K | 91.1 | Very high | 80.5 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.1 | 174.9 | -69.1 | -71.8 | -172 | 175.9 | 0 | 108.5 | I558 I568 Y647 N648 L649 L650 | I558-K560 HydrophobicContact CG2-CG 4.25Å; K560-I568 HydrophobicContact CB-CD1 3.9Å; K560-I568 HydrophobicContact CD-CD1 4.22Å; K560-I568 HydrophobicContact CG-CD1 3.73Å; K560-Y647 HydrophobicContact CG-CD1 4.42Å; K560-N648 PolarHBondContact N-O 2.78Å; K560-L649 HydrophobicContact CB-CD2 3.69Å; K560-L649 HydrophobicContact CG-CD2 4.35Å; K560-L650 PolarHBondContact O-N 2.55Å |
| 561 | L | 89.1 | Confident | 81.2 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127 | 169.4 | -173.3 | 65.1 | 0 | 0 | 0 | 107.7 | L650 D652 | L561-L650 CarbonylContact C-O 3.59Å; L561-L650 WeakPolarHBondContact CA-O 3.39Å; L561-L650 HydrophobicContact CD1-CB 3.9Å; L561-D652 HydrophobicContact CD1-CB 4.02Å |
| 562 | L | 87.6 | Confident | 81.6 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 158 | 179.3 | -61.9 | 172.8 | 0 | 0 | 0 | 109.7 | D566 I568 V615 L649 L650 I651 D652 | L562-D566 HydrophobicContact CB-CB 4.37Å; L562-D566 HydrophobicContact CD2-CB 4.22Å; L562-I568 HydrophobicContact CD1-CB 4.04Å; L562-I568 HydrophobicContact CD1-CD1 4.07Å; L562-I568 HydrophobicContact CD1-CG2 3.8Å; L562-I568 HydrophobicContact CD2-CB 4.26Å; L562-I568 HydrophobicContact CD2-CD1 4.21Å; L562-V615 HydrophobicContact CD1-CG1 4.39Å; L562-V615 HydrophobicContact CD1-CG2 4.24Å; L562-L649 HydrophobicContact CD1-CD1 4.04Å; L562-L649 HydrophobicContact CD1-CD2 4.04Å; L562-L649 HydrophobicContact CD1-CG 4.46Å; L562-L650 PolarHBondContact N-O 2.93Å; L562-I651 HydrophobicContact CB-CD1 3.86Å; L562-I651 HydrophobicContact CD1-CD1 4.44Å; L562-I651 VanDerWaalsContact O-CA 3.31Å; L562-I651 WeakPolarHBondContact O-CA 3.17Å; L562-D652 PolarHBondContact O-N 3.44Å |
| 563 | Y | 83.6 | Confident | 81.7 | Confident | 80 Ų | 80 | 67 Ų | 67 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | trans | -109.4 | 154.5 | 173.8 | -57.1 | -81.8 | 0 | 0 | 0 | 110.3 | G565 D566 D652 | Y563-G565 PolarHBondContact O-N 2.91Å; Y563-D566 PolarHBondContact N-OD2 2.89Å; Y563-D566 VanDerWaalsContact O-CB 3.27Å; Y563-D566 WeakPolarHBondContact O-CB 3.29Å; Y563-D566 PolarHBondContact O-N 3.29Å; Y563-D652 HydrophobicContact CD1-CB 4.08Å; Y563-D652 WeakPolarHBondContact CD1-O 3.22Å; Y563-D652 HydrophobicContact CE1-CB 3.88Å | ||
| 564 | P | 83.3 | Confident | 81.4 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 128.3 | 173.1 | -25.7 | 34.8 | 0 | 0 | 0 | 111.9 | V615 C616 I651 D652 D653 | P564-V615 CarbonylContact C-O 3.5Å; P564-V615 VanDerWaalsContact CA-O 3.29Å; P564-V615 WeakPolarHBondContact CA-O 3.45Å; P564-C616 HydrophobicContact CB-CB 4.4Å; P564-I651 HydrophobicContact CG-CG2 4.19Å; P564-D652 WeakPolarHBondContact CD-O 3.35Å; P564-D653 HydrophobicContact CG-CB 4.28Å |
| 565 | G | 79.6 | Confident | 80.6 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -15.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y563 V615 T617 | Y563-G565 PolarHBondContact O-N 2.91Å; G565-V615 PolarHBondContact N-O 2.82Å; G565-T617 VanDerWaalsContact CA-CG2 3.46Å |
| 566 | D | 86 | Confident | 79.4 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | trans | -62 | 160.2 | 177.7 | -76.4 | -9.5 | 0 | 0 | 0 | 112 | L562 Y563 N614 V615 | L562-D566 HydrophobicContact CB-CB 4.37Å; L562-D566 HydrophobicContact CD2-CB 4.22Å; Y563-D566 PolarHBondContact N-OD2 2.89Å; Y563-D566 VanDerWaalsContact O-CB 3.27Å; Y563-D566 WeakPolarHBondContact O-CB 3.29Å; Y563-D566 PolarHBondContact O-N 3.29Å; D566-N614 PolarHBondContact O-N 2.99Å; D566-V615 WeakPolarHBondContact O-CB 3.47Å; D566-V615 VanDerWaalsContact O-CG2 3.23Å; D566-V615 WeakPolarHBondContact O-CG2 3.11Å; D566-V615 PolarHBondContact O-N 2.8Å | ||
| 567 | S | 88.1 | Confident | 78.3 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 53% | 0.531 | 35% | 0.354 | S | S | . | . | trans | -123.3 | 136.5 | 169.6 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | I612 I613 | S567-I612 CarbonylContact C-O 3.5Å; S567-I612 WeakPolarHBondContact CA-O 3.24Å; S567-I613 WeakPolarHBondContact OG-CA 3.39Å | ||
| 568 | I | 91.2 | Very high | 76.4 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143 | -179.5 | -170.7 | 171.2 | 0 | 0 | 0 | 110.8 | K560 L562 M570 I611 I612 V615 L649 | K560-I568 HydrophobicContact CB-CD1 3.9Å; K560-I568 HydrophobicContact CD-CD1 4.22Å; K560-I568 HydrophobicContact CG-CD1 3.73Å; L562-I568 HydrophobicContact CD1-CB 4.04Å; L562-I568 HydrophobicContact CD1-CD1 4.07Å; L562-I568 HydrophobicContact CD1-CG2 3.8Å; L562-I568 HydrophobicContact CD2-CB 4.26Å; L562-I568 HydrophobicContact CD2-CD1 4.21Å; I568-M570 HydrophobicContact CD1-CG 4.03Å; I568-M570 HydrophobicContact CD1-SD 4.5Å; I568-M570 HydrophobicContact CG1-CG 4.1Å; I568-I611 CarbonylContact O-C 3.55Å; I568-I611 WeakPolarHBondContact O-CA 3.35Å; I568-I612 HydrophobicContact CG2-CB 4.02Å; I568-I612 HydrophobicContact CG2-CD1 4.41Å; I568-I612 HydrophobicContact CG2-CG1 4.3Å; I568-I612 PolarHBondContact N-O 2.71Å; I568-I612 PolarHBondContact O-N 2.97Å; I568-V615 HydrophobicContact CG2-CG2 4.49Å; I568-L649 HydrophobicContact CD1-CD2 4Å; I568-L649 HydrophobicContact CG2-CD1 4.42Å |
| 569 | S | 90.7 | Very high | 74.4 | Confident | 66 Ų | 66 | 72.6 Ų | 72.6 | 46% | 0.462 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.5 | 166.6 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 570 | M | 90.8 | Very high | 72 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 115.7 | -178.4 | -66.8 | -175.9 | -66.9 | 0 | 0 | 108.8 | I568 W588 S609 L610 I612 Y635 Y647 L649 | I568-M570 HydrophobicContact CD1-CG 4.03Å; I568-M570 HydrophobicContact CD1-SD 4.5Å; I568-M570 HydrophobicContact CG1-CG 4.1Å; M570-W588 HydrophobicContact CB-CH2 3.88Å; M570-W588 HydrophobicContact CB-CZ3 4.47Å; M570-W588 VanDerWaalsContact O-CZ2 3.31Å; M570-W588 WeakPolarHBondContact O-CZ2 3.47Å; M570-S609 CarbonylContact O-C 3.58Å; M570-S609 WeakPolarHBondContact O-CA 3.26Å; M570-S609 VanDerWaalsContact O-CB 3.32Å; M570-S609 WeakPolarHBondContact O-CB 3.46Å; M570-L610 HydrophobicContact CE-CB 4.23Å; M570-L610 HydrophobicContact CE-CD2 3.65Å; M570-L610 HydrophobicContact CE-CG 3.94Å; M570-L610 PolarHBondContact N-O 2.87Å; M570-L610 PolarHBondContact O-N 3.14Å; M570-I612 HydrophobicContact CE-CD1 3.59Å; M570-I612 HydrophobicContact CE-CG1 4.08Å; M570-Y635 HydrophobicContact CE-CD1 4.14Å; M570-Y635 HydrophobicContact CE-CD2 4.31Å; M570-Y635 HydrophobicContact CE-CG 3.88Å; M570-Y647 HydrophobicContact CB-CD1 4.32Å; M570-Y647 HydrophobicContact CB-CD2 3.82Å; M570-Y647 HydrophobicContact CB-CE1 4.16Å; M570-Y647 HydrophobicContact CB-CE2 3.62Å; M570-Y647 HydrophobicContact CB-CG 4.16Å; M570-Y647 HydrophobicContact CG-CD1 3.81Å; M570-Y647 HydrophobicContact CG-CD2 4.05Å; M570-Y647 HydrophobicContact CG-CE1 3.95Å; M570-Y647 HydrophobicContact CG-CE2 4.18Å; M570-Y647 HydrophobicContact CG-CG 3.86Å; M570-Y647 WeakPolarHBondContact SD-CB 3.27Å; M570-Y647 HydrophobicContact SD-CD1 3.84Å; M570-Y647 HydrophobicContact SD-CD2 3.88Å; M570-Y647 HydrophobicContact SD-CG 3.45Å; M570-L649 HydrophobicContact CE-CD1 4.26Å; M570-L649 HydrophobicContact SD-CD1 4.25Å; M570-L649 HydrophobicContact SD-CD2 3.91Å; M570-L649 HydrophobicContact SD-CG 4.33Å |
| 571 | N | 83.7 | Confident | 69.6 | Low | 52 Ų | 52 | 77.7 Ų | 77.7 | 28% | 0.278 | 41% | 0.406 | S | S | . | . | trans | -84.8 | 129.7 | -174 | -66.1 | -36.3 | 0 | 0 | 0 | 110.7 | Y573 S609 Y647 | N571-Y573 VanDerWaalsContact C-N 3.27Å; N571-Y573 HydrophobicContact CB-CD1 3.87Å; N571-Y573 HydrophobicContact CB-CD2 4.32Å; N571-Y573 HydrophobicContact CB-CE1 3.68Å; N571-Y573 HydrophobicContact CB-CE2 4.12Å; N571-Y573 HydrophobicContact CB-CG 4.22Å; N571-Y573 WeakPolarHBondContact O-CD2 3.45Å; N571-S609 WeakPolarHBondContact OD1-CB 3.06Å; N571-S609 PolarHBondContact OD1-OG 3.35Å; N571-Y647 PolarHBondContact N-OH 3.04Å; N571-Y647 PolarHBondContact O-OH 2.76Å | ||
| 572 | C | 79.4 | Confident | 67.3 | Low | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.007 | 42% | 0.423 | C | S | . | . | trans | -82.7 | -7.1 | 169.5 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | Q574 W588 N608 C637 | C572-Q574 PolarHBondContact O-N 3.07Å; C572-Q574 VanDerWaalsContact O-N 3.07Å; C572-W588 HydrophobicContact CB-CZ2 3.62Å; C572-N608 HydrophobicContact CB-CB 4.26Å; C572-N608 WeakPolarHBondContact CB-O 3.16Å; C572-C637 HydrophobicContact CB-CB 3.77Å; C572-C637 WeakPolarHBondContact CB-SG 3.41Å; C572-C637 WeakPolarHBondContact SG-CB 3.37Å; C572-C637 CovalentContact SG-SG 2.01Å; C572-C637 PolarHBondContact SG-SG 3.18Å | ||
| 573 | Y | 67.9 | Low | 65.5 | Low | 72 Ų | 72 | 85.4 Ų | 85.4 | 28% | 0.282 | 44% | 0.442 | S | S | . | . | trans | 53 | 25.9 | 178.6 | -55.7 | -69.6 | 0 | 0 | 0 | 115.6 | R507 S508 N571 | R507-Y573 HydrophobicContact CB-CD1 3.95Å; R507-Y573 HydrophobicContact CB-CG 4.46Å; R507-Y573 VanDerWaalsContact O-CB 3.26Å; R507-Y573 WeakPolarHBondContact O-CB 3.5Å; S508-Y573 WeakPolarHBondContact CB-O 3.36Å; N571-Y573 VanDerWaalsContact C-N 3.27Å; N571-Y573 HydrophobicContact CB-CD1 3.87Å; N571-Y573 HydrophobicContact CB-CD2 4.32Å; N571-Y573 HydrophobicContact CB-CE1 3.68Å; N571-Y573 HydrophobicContact CB-CE2 4.12Å; N571-Y573 HydrophobicContact CB-CG 4.22Å; N571-Y573 WeakPolarHBondContact O-CD2 3.45Å | ||
| 574 | Q | 60.4 | Low | 64.3 | Low | 31 Ų | 31 | 85.1 Ų | 85.1 | 15% | 0.145 | 46% | 0.456 | C | S | . | . | trans | -125 | 126 | 173.3 | -93.1 | -160.6 | -16.7 | 0 | 0 | 112.4 | C572 P586 N608 Q639 L644 | C572-Q574 PolarHBondContact O-N 3.07Å; C572-Q574 VanDerWaalsContact O-N 3.07Å; Q574-P586 HydrophobicContact CB-CG 4.29Å; Q574-N608 PolarHBondContact O-ND2 3.32Å; Q574-Q639 VanDerWaalsContact CD-OE1 3.27Å; Q574-L644 HydrophobicContact CG-CD1 3.99Å | ||
| 575 | R | 47.6 | Very low | 63.7 | Low | 226 Ų | 226 | 84.8 Ų | 84.8 | 85% | 0.853 | 46% | 0.461 | S | S | * | . | trans | -78.7 | 137.1 | 170.1 | -165.3 | 173.3 | -176.4 | 167.3 | 0.9 | 109.5 | E577 | R575-E577 PolarHBondContact O-N 2.95Š| ||
| 576 | R | 43.8 | Very low | 63.7 | Low | 193 Ų | 193 | 84.1 Ų | 84.1 | 73% | 0.728 | 45% | 0.451 | S | S | * | . | trans | -60.9 | 121 | 171.7 | -166.6 | 175.4 | -175.9 | 178.9 | 1.5 | 108.9 | S578 | R576-S578 PolarHBondContact O-N 2.99Š| ||
| 577 | E | 45.3 | Very low | 63.9 | Low | 114 Ų | 114 | 85 Ų | 85 | 53% | 0.533 | 46% | 0.458 | S | S | . | . | trans | -63.2 | 102.5 | 172.3 | -72.4 | 179.2 | -176.1 | 0 | 0 | 108.2 | R575 G579 K583 | R575-E577 PolarHBondContact O-N 2.95Å; E577-G579 PolarHBondContact O-N 3.43Å; E577-G579 VanDerWaalsContact O-N 3.09Å; E577-K583 IonicContact OE2-NZ 2.68Å | ||
| 578 | S | 39.7 | Very low | 64.1 | Low | 121 Ų | 121 | 81.5 Ų | 81.5 | 85% | 0.846 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 100.3 | 173.1 | 42.1 | 0 | 0 | 0 | 0 | 108.8 | R576 | R576-S578 PolarHBondContact O-N 2.99Š|
| 579 | G | 43.3 | Very low | 64.2 | Low | 62 Ų | 62 | 82.6 Ų | 82.6 | 64% | 0.639 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 142.6 | -17.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | E577 | E577-G579 PolarHBondContact O-N 3.43Å; E577-G579 VanDerWaalsContact O-N 3.09Å |
| 580 | D | 39.9 | Very low | 64.2 | Low | 77 Ų | 77 | 81.4 Ų | 81.4 | 41% | 0.412 | 43% | 0.426 | S | S | . | . | trans | -105.8 | 98 | 176.1 | -119.4 | 0.4 | 0 | 0 | 0 | 109.6 | L582 | D580-L582 PolarHBondContact O-N 2.81Å; D580-L582 VanDerWaalsContact O-N 3.12Å | ||
| 581 | Q | 40.1 | Very low | 64.2 | Low | 204 Ų | 204 | 85.2 Ų | 85.2 | 95% | 0.953 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -11.5 | 175.5 | -67.5 | -176.3 | -4.8 | 0 | 0 | 112.7 | ||
| 582 | L | 41.8 | Very low | 64.4 | Low | 163 Ų | 163 | 88.7 Ų | 88.7 | 85% | 0.853 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -24 | -176 | -89.8 | 100.8 | 0 | 0 | 0 | 115.6 | D580 A584 | D580-L582 PolarHBondContact O-N 2.81Å; D580-L582 VanDerWaalsContact O-N 3.12Å; L582-A584 PolarHBondContact O-N 2.85Å |
| 583 | K | 49.1 | Very low | 64.9 | Low | 108 Ų | 108 | 98.1 Ų | 98.1 | 47% | 0.47 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -91 | 108.6 | 179.6 | -76.1 | -176.6 | -172.7 | 167.6 | 0 | 110.2 | E577 G585 | E577-K583 IonicContact OE2-NZ 2.68Å; K583-G585 PolarHBondContact O-N 2.84Å |
| 584 | A | 59.2 | Low | 66 | Low | 74 Ų | 74 | 99 Ų | 99 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 128.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L582 | L582-A584 PolarHBondContact O-N 2.85Š|
| 585 | G | 69.2 | Low | 67.4 | Low | 37 Ų | 37 | 98.1 Ų | 98.1 | 38% | 0.381 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 170.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K583 | K583-G585 PolarHBondContact O-N 2.84Š|
| 586 | P | 81.5 | Confident | 69.1 | Low | 14 Ų | 14 | 91.9 Ų | 91.9 | 9% | 0.091 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 146.1 | 176.3 | 30.2 | -36.6 | 0 | 0 | 0 | 111.1 | Q574 N608 V638 Q639 L644 | Q574-P586 HydrophobicContact CB-CG 4.29Å; P586-N608 HydrophobicContact CG-CB 3.91Å; P586-V638 WeakPolarHBondContact CA-O 3.33Å; P586-Q639 HydrophobicContact CB-CB 4.22Å; P586-Q639 HydrophobicContact CB-CG 4.46Å; P586-L644 HydrophobicContact CB-CD1 3.94Å |
| 587 | V | 89.3 | Confident | 71.2 | Confident | 76 Ų | 76 | 86.2 Ų | 86.2 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.3 | -178.7 | -179 | 0 | 0 | 0 | 0 | 109.3 | L589 V638 | V587-L589 HydrophobicContact CG1-CD2 4.3Å; V587-V638 PolarHBondContact N-O 3.23Å; V587-V638 PolarHBondContact O-N 3.47Å |
| 588 | W | 92.4 | Very high | 72.8 | Confident | 3 Ų | 3 | 89.1 Ų | 89.1 | 1% | 0.011 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131.7 | 173.8 | -76.5 | 95.3 | 0 | 0 | 0 | 111.4 | M570 C572 V595 F597 N608 L610 E636 C637 V645 Y647 | M570-W588 HydrophobicContact CB-CH2 3.88Å; M570-W588 HydrophobicContact CB-CZ3 4.47Å; M570-W588 VanDerWaalsContact O-CZ2 3.31Å; M570-W588 WeakPolarHBondContact O-CZ2 3.47Å; C572-W588 HydrophobicContact CB-CZ2 3.62Å; W588-V595 HydrophobicContact CB-CB 4.26Å; W588-V595 HydrophobicContact CB-CG2 3.85Å; W588-V595 PolarHBondContact O-N 2.91Å; W588-F597 HydrophobicContact CB-CZ 4.41Å; W588-N608 PolarHBondContact NE1-O 3.24Å; W588-L610 HydrophobicContact CB-CD2 4.32Å; W588-L610 HydrophobicContact CD2-CB 3.65Å; W588-L610 HydrophobicContact CD2-CD2 3.95Å; W588-L610 HydrophobicContact CD2-CG 4.41Å; W588-L610 VanDerWaalsContact CE2-CB 3.48Å; W588-L610 HydrophobicContact CE3-CB 4.08Å; W588-L610 HydrophobicContact CE3-CD2 3.86Å; W588-L610 HydrophobicContact CG-CB 4.06Å; W588-L610 HydrophobicContact CG-CD2 4.18Å; W588-L610 HydrophobicContact CH2-CB 4.16Å; W588-L610 HydrophobicContact CZ2-CB 3.74Å; W588-L610 HydrophobicContact CZ3-CB 4.32Å; W588-L610 HydrophobicContact CZ3-CD2 4.44Å; W588-E636 CarbonylContact C-O 3.58Å; W588-E636 WeakPolarHBondContact CA-O 3.24Å; W588-C637 HydrophobicContact CD2-CB 3.96Å; W588-C637 HydrophobicContact CE3-CB 3.99Å; W588-C637 HydrophobicContact CH2-CB 3.96Å; W588-C637 HydrophobicContact CZ2-CB 3.92Å; W588-C637 HydrophobicContact CZ3-CB 3.99Å; W588-V645 HydrophobicContact CH2-CG1 3.9Å; W588-V645 HydrophobicContact CZ3-CG1 4.36Å; W588-Y647 HydrophobicContact CH2-CD2 4Å; W588-Y647 AromaticContact CH2-CE2 3.95Å; W588-Y647 HydrophobicContact CH2-CE2 3.95Å; W588-Y647 HydrophobicContact CZ3-CD2 4.08Å; W588-Y647 HydrophobicContact CZ3-CE2 4.48Å |
| 589 | L | 92.4 | Very high | 74.6 | Confident | 40 Ų | 40 | 85.9 Ų | 85.9 | 21% | 0.209 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.7 | 175.7 | -54.5 | 179.5 | 0 | 0 | 0 | 109.6 | V587 R593 Y635 E636 V638 | V587-L589 HydrophobicContact CG1-CD2 4.3Å; L589-R593 CarbonylContact C-O 3.37Å; L589-R593 WeakPolarHBondContact CA-O 3.23Å; L589-Y635 CarbonylContact O-C 3.53Å; L589-Y635 VanDerWaalsContact O-CA 3.26Å; L589-Y635 WeakPolarHBondContact O-CA 3.24Å; L589-E636 PolarHBondContact N-O 3.2Å; L589-E636 PolarHBondContact O-N 2.99Å; L589-V638 HydrophobicContact CD1-CB 4.43Å; L589-V638 HydrophobicContact CD1-CG2 3.77Å; L589-V638 HydrophobicContact CG-CG2 4.3Å |
| 590 | F | 91.8 | Very high | 76.3 | Confident | 42 Ų | 42 | 85.2 Ų | 85.2 | 18% | 0.184 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 120 | 165.4 | 174 | -118.3 | 0 | 0 | 0 | 109.3 | N592 R593 V595 E630 S634 Y635 | F590-N592 PolarHBondContact O-N 3.11Å; F590-R593 PolarHBondContact N-O 2.96Å; F590-R593 PolarHBondContact O-N 3.17Å; F590-V595 HydrophobicContact CB-CG2 3.95Å; F590-E630 WeakPolarHBondContact CE1-O 3.32Å; F590-E630 WeakPolarHBondContact CZ-O 3.47Å; F590-S634 CarbonylContact C-O 3.58Å; F590-S634 WeakPolarHBondContact CA-O 2.99Å; F590-Y635 HydrophobicContact CB-CD1 3.99Å; F590-Y635 HydrophobicContact CB-CE1 3.77Å; F590-Y635 AromaticContact CD2-CD1 3.98Å; F590-Y635 HydrophobicContact CD2-CD1 3.98Å; F590-Y635 AromaticContact CD2-CD2 3.76Å; F590-Y635 HydrophobicContact CD2-CD2 3.76Å; F590-Y635 AromaticContact CD2-CE1 3.57Å; F590-Y635 HydrophobicContact CD2-CE1 3.57Å; F590-Y635 AromaticContact CD2-CE2 3.3Å; F590-Y635 HydrophobicContact CD2-CE2 3.3Å; F590-Y635 HydrophobicContact CD2-CG 4.08Å; F590-Y635 AromaticContact CD2-CZ 3.21Å; F590-Y635 HydrophobicContact CE2-CD2 4.2Å; F590-Y635 HydrophobicContact CE2-CE1 4.4Å; F590-Y635 AromaticContact CE2-CE2 3.47Å; F590-Y635 HydrophobicContact CE2-CE2 3.47Å; F590-Y635 VanDerWaalsContact CE2-CE2 3.47Å; F590-Y635 AromaticContact CE2-CZ 3.6Å; F590-Y635 HydrophobicContact CG-CD1 4.38Å; F590-Y635 AromaticContact CG-CE1 3.88Å; F590-Y635 HydrophobicContact CG-CE1 3.88Å; F590-Y635 HydrophobicContact CG-CE2 4.36Å; F590-Y635 AromaticContact CG-CZ 3.86Å |
| 591 | N | 90.3 | Very high | 78.4 | Confident | 80 Ų | 80 | 85 Ų | 85 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 45.4 | -176.8 | -66.6 | -27.2 | 0 | 0 | 0 | 112.7 | R593 S634 | N591-R593 VanDerWaalsContact C-N 3.27Å; N591-R593 PolarHBondContact O-N 3.15Å; N591-S634 PolarHBondContact N-O 2.98Å; N591-S634 PolarHBondContact OD1-N 3.4Å |
| 592 | N | 88.2 | Confident | 80.8 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 66% | 0.663 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 13.7 | -176 | -60.7 | -23.6 | 0 | 0 | 0 | 116.4 | F590 | F590-N592 PolarHBondContact O-N 3.11Š|
| 593 | R | 91 | Very high | 83.1 | Confident | 200 Ų | 200 | 73 Ų | 73 | 76% | 0.755 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.9 | 172.5 | -61.3 | -175.5 | 179.9 | -146.7 | -0.3 | 110 | L589 F590 N591 V595 | L589-R593 CarbonylContact C-O 3.37Å; L589-R593 WeakPolarHBondContact CA-O 3.23Å; F590-R593 PolarHBondContact N-O 2.96Å; F590-R593 PolarHBondContact O-N 3.17Å; N591-R593 VanDerWaalsContact C-N 3.27Å; N591-R593 PolarHBondContact O-N 3.15Å; R593-V595 PolarHBondContact O-N 3.23Å |
| 594 | S | 89.4 | Confident | 85 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 133.3 | 175.6 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | D596 | S594-D596 PolarHBondContact O-N 2.94Å |
| 595 | V | 89.8 | Confident | 86.1 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 131.2 | 172.6 | 176 | 0 | 0 | 0 | 0 | 109.1 | W588 F590 R593 F597 H602 L610 Y635 | W588-V595 HydrophobicContact CB-CB 4.26Å; W588-V595 HydrophobicContact CB-CG2 3.85Å; W588-V595 PolarHBondContact O-N 2.91Å; F590-V595 HydrophobicContact CB-CG2 3.95Å; R593-V595 PolarHBondContact O-N 3.23Å; V595-F597 HydrophobicContact CB-CE2 4.26Å; V595-F597 HydrophobicContact CB-CZ 4.25Å; V595-F597 HydrophobicContact CG1-CE1 4.23Å; V595-F597 HydrophobicContact CG1-CE2 4.38Å; V595-F597 HydrophobicContact CG1-CZ 4.15Å; V595-F597 WeakPolarHBondContact O-CD2 3.39Å; V595-H602 HydrophobicContact CG1-CB 3.67Å; V595-H602 VanDerWaalsContact CG1-CG 3.49Å; V595-L610 HydrophobicContact CG1-CD1 4.24Å; V595-L610 HydrophobicContact CG2-CD2 4.2Å; V595-Y635 HydrophobicContact CG2-CD1 4.18Å; V595-Y635 HydrophobicContact CG2-CE1 4.31Å |
| 596 | D | 84.4 | Confident | 86.3 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 51% | 0.508 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 117.5 | 172.5 | -176.4 | 10.7 | 0 | 0 | 0 | 109.7 | S594 Q598 | S594-D596 PolarHBondContact O-N 2.94Å; D596-Q598 VanDerWaalsContact C-N 3.35Å; D596-Q598 WeakPolarHBondContact OD1-CB 3.29Å; D596-Q598 PolarHBondContact OD1-N 3.04Å |
| 597 | F | 86.3 | Confident | 85.8 | Confident | 75 Ų | 75 | 78.4 Ų | 78.4 | 33% | 0.329 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 2.5 | 178.9 | -65.2 | -81 | 0 | 0 | 0 | 113.1 | W588 V595 H602 L604 L610 | W588-F597 HydrophobicContact CB-CZ 4.41Å; V595-F597 HydrophobicContact CB-CE2 4.26Å; V595-F597 HydrophobicContact CB-CZ 4.25Å; V595-F597 HydrophobicContact CG1-CE1 4.23Å; V595-F597 HydrophobicContact CG1-CE2 4.38Å; V595-F597 HydrophobicContact CG1-CZ 4.15Å; V595-F597 WeakPolarHBondContact O-CD2 3.39Å; F597-H602 HydrophobicContact CD1-CB 4.08Å; F597-H602 HydrophobicContact CE1-CB 4.43Å; F597-L604 HydrophobicContact CD1-CB 4.23Å; F597-L604 HydrophobicContact CE1-CB 3.77Å; F597-L604 HydrophobicContact CE1-CD1 4.25Å; F597-L604 HydrophobicContact CZ-CB 4.25Å; F597-L604 HydrophobicContact CZ-CD1 4.13Å; F597-L610 HydrophobicContact CE1-CD1 3.63Å; F597-L610 HydrophobicContact CZ-CD1 4.19Å |
| 598 | Q | 79.8 | Confident | 85.5 | Confident | 174 Ų | 174 | 75.4 Ų | 75.4 | 81% | 0.813 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.9 | 175.7 | -59.8 | -62.1 | -33.3 | 0 | 0 | 112.9 | D596 G600 | D596-Q598 VanDerWaalsContact C-N 3.35Å; D596-Q598 WeakPolarHBondContact OD1-CB 3.29Å; D596-Q598 PolarHBondContact OD1-N 3.04Å; Q598-G600 VanDerWaalsContact C-N 3.25Å; Q598-G600 PolarHBondContact O-N 3.37Å |
| 599 | D | 78.2 | Confident | 85.2 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -79.1 | -3.9 | -174.8 | 78.6 | -16.2 | 0 | 0 | 0 | 114.6 | R601 H602 | D599-R601 PolarHBondContact O-N 2.98Å; D599-R601 PolarHBondContact OD1-N 3.11Å; D599-R601 IonicContact OD2-NE 3.34Å; D599-H602 VanDerWaalsContact CG-ND1 3.33Å; D599-H602 IonicContact OD1-CG 3.9Å; D599-H602 PolarHBondContact OD1-N 3.39Å; D599-H602 IonicContact OD1-ND1 3.2Å; D599-H602 PolarHBondContact OD1-ND1 2.95Å; D599-H602 IonicContact OD2-CE1 2.72Å; D599-H602 PolarHBondContact OD2-CE1 2.92Å; D599-H602 VanDerWaalsContact OD2-CE1 3.29Å; D599-H602 IonicContact OD2-CG 2.74Å; D599-H602 IonicContact OD2-ND1 3.02Å; D599-H602 PolarHBondContact OD2-ND1 3.43Å |
| 600 | G | 79.3 | Confident | 85.2 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 72.1 | 2.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q598 F603 | Q598-G600 VanDerWaalsContact C-N 3.25Å; Q598-G600 PolarHBondContact O-N 3.37Å; G600-F603 WeakPolarHBondContact O-CE2 3.41Å; G600-F603 WeakPolarHBondContact O-CZ 3.32Å |
| 601 | R | 83.7 | Confident | 85.2 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -111.4 | -35.2 | 179.9 | -70.4 | -178 | -89.8 | -175.9 | -4.3 | 112.2 | D599 F603 I612 I613 | D599-R601 PolarHBondContact O-N 2.98Å; D599-R601 PolarHBondContact OD1-N 3.11Å; D599-R601 IonicContact OD2-NE 3.34Å; R601-F603 WeakPolarHBondContact O-CD2 3.29Å; R601-I612 WeakPolarHBondContact O-CA 3.49Å; R601-I613 PolarHBondContact O-N 3.36Å |
| 602 | H | 89.9 | Confident | 85.2 | Confident | 22 Ų | 22 | 70.5 Ų | 70.5 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 128.6 | 179.2 | -62.3 | 89.5 | 0 | 0 | 0 | 111.4 | V595 F597 D599 L610 Y635 | V595-H602 HydrophobicContact CG1-CB 3.67Å; V595-H602 VanDerWaalsContact CG1-CG 3.49Å; F597-H602 HydrophobicContact CD1-CB 4.08Å; F597-H602 HydrophobicContact CE1-CB 4.43Å; D599-H602 VanDerWaalsContact CG-ND1 3.33Å; D599-H602 IonicContact OD1-CG 3.9Å; D599-H602 PolarHBondContact OD1-N 3.39Å; D599-H602 IonicContact OD1-ND1 3.2Å; D599-H602 PolarHBondContact OD1-ND1 2.95Å; D599-H602 IonicContact OD2-CE1 2.72Å; D599-H602 PolarHBondContact OD2-CE1 2.92Å; D599-H602 VanDerWaalsContact OD2-CE1 3.29Å; D599-H602 IonicContact OD2-CG 2.74Å; D599-H602 IonicContact OD2-ND1 3.02Å; D599-H602 PolarHBondContact OD2-ND1 3.43Å; H602-L610 HydrophobicContact CB-CD1 4.15Å; H602-Y635 AromaticContact NE2-CE1 3.61Å; H602-Y635 AromaticContact NE2-CZ 3.95Å; H602-Y635 PolarHBondContact NE2-OH 2.95Å |
| 603 | F | 90.5 | Very high | 85.2 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142 | 178.4 | -61.1 | -94.7 | 0 | 0 | 0 | 109.7 | G600 R601 I611 I613 | G600-F603 WeakPolarHBondContact O-CE2 3.41Å; G600-F603 WeakPolarHBondContact O-CZ 3.32Å; R601-F603 WeakPolarHBondContact O-CD2 3.29Å; F603-I611 HydrophobicContact CB-CB 4.2Å; F603-I611 PolarHBondContact N-O 3.37Å; F603-I611 PolarHBondContact O-N 3.3Å; F603-I613 HydrophobicContact CD2-CD1 4.14Å; F603-I613 HydrophobicContact CD2-CG1 4.16Å; F603-I613 HydrophobicContact CE2-CD1 3.29Å; F603-I613 HydrophobicContact CE2-CG1 3.58Å; F603-I613 HydrophobicContact CZ-CD1 3.83Å |
| 604 | L | 88.1 | Confident | 84.7 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 43% | 0.429 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.4 | 174.5 | -165.9 | 68.9 | 0 | 0 | 0 | 109.7 | F597 | F597-L604 HydrophobicContact CD1-CB 4.23Å; F597-L604 HydrophobicContact CE1-CB 3.77Å; F597-L604 HydrophobicContact CE1-CD1 4.25Å; F597-L604 HydrophobicContact CZ-CB 4.25Å; F597-L604 HydrophobicContact CZ-CD1 4.13Å |
| 605 | S | 82.6 | Confident | 84.5 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | trans | -74.9 | 164.9 | 174 | 88.4 | 0 | 0 | 0 | 0 | 111.6 | E607 N608 S609 | S605-E607 PolarHBondContact O-N 2.87Å; S605-E607 VanDerWaalsContact O-N 3.17Å; S605-E607 PolarHBondContact OG-N 2.88Å; S605-E607 VanDerWaalsContact OG-N 3.09Å; S605-N608 PolarHBondContact O-N 3.23Å; S605-S609 PolarHBondContact N-O 3.28Å; S605-S609 VanDerWaalsContact OG-CB 3.26Å; S605-S609 WeakPolarHBondContact OG-CB 3.37Å; S605-S609 PolarHBondContact OG-N 2.56Å; S605-S609 PolarHBondContact OG-OG 2.74Å | ||
| 606 | V | 73.2 | Confident | 83.9 | Confident | 141 Ų | 141 | 57.2 Ų | 57.2 | 86% | 0.855 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.8 | 171.3 | -66.3 | 0 | 0 | 0 | 0 | 113.6 | N608 | V606-N608 VanDerWaalsContact C-N 3.35Š|
| 607 | E | 71.1 | Confident | 83.2 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 14.2 | 175.5 | -59.2 | -168.1 | 168.2 | 0 | 0 | 112.7 | R507 S605 S609 | R507-E607 IonicContact NH1-OE1 2.81Å; R507-E607 IonicContact NH1-OE2 3.88Å; R507-E607 PolarHBondContact NH1-OE2 2.75Å; R507-E607 VanDerWaalsContact NH1-OE2 3.08Å; S605-E607 PolarHBondContact O-N 2.87Å; S605-E607 VanDerWaalsContact O-N 3.17Å; S605-E607 PolarHBondContact OG-N 2.88Å; S605-E607 VanDerWaalsContact OG-N 3.09Å; E607-S609 PolarHBondContact O-N 2.84Å |
| 608 | N | 82.2 | Confident | 82 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 59.7 | 23.4 | -173.1 | -57.8 | -49.8 | 0 | 0 | 0 | 114.3 | C572 Q574 P586 W588 S605 V606 | C572-N608 HydrophobicContact CB-CB 4.26Å; C572-N608 WeakPolarHBondContact CB-O 3.16Å; Q574-N608 PolarHBondContact O-ND2 3.32Å; P586-N608 HydrophobicContact CG-CB 3.91Å; W588-N608 PolarHBondContact NE1-O 3.24Å; S605-N608 PolarHBondContact O-N 3.23Å; V606-N608 VanDerWaalsContact C-N 3.35Å |
| 609 | S | 86.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -76.3 | 135.1 | 171.1 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | M570 N571 S605 E607 | M570-S609 CarbonylContact O-C 3.58Å; M570-S609 WeakPolarHBondContact O-CA 3.26Å; M570-S609 VanDerWaalsContact O-CB 3.32Å; M570-S609 WeakPolarHBondContact O-CB 3.46Å; N571-S609 WeakPolarHBondContact OD1-CB 3.06Å; N571-S609 PolarHBondContact OD1-OG 3.35Å; S605-S609 PolarHBondContact N-O 3.28Å; S605-S609 VanDerWaalsContact OG-CB 3.26Å; S605-S609 WeakPolarHBondContact OG-CB 3.37Å; S605-S609 PolarHBondContact OG-N 2.56Å; S605-S609 PolarHBondContact OG-OG 2.74Å; E607-S609 PolarHBondContact O-N 2.84Å | ||
| 610 | L | 92.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 118.6 | 171.8 | 179.6 | 60.4 | 0 | 0 | 0 | 109.1 | M570 W588 V595 F597 H602 I612 Y635 | M570-L610 HydrophobicContact CE-CB 4.23Å; M570-L610 HydrophobicContact CE-CD2 3.65Å; M570-L610 HydrophobicContact CE-CG 3.94Å; M570-L610 PolarHBondContact N-O 2.87Å; M570-L610 PolarHBondContact O-N 3.14Å; W588-L610 HydrophobicContact CB-CD2 4.32Å; W588-L610 HydrophobicContact CD2-CB 3.65Å; W588-L610 HydrophobicContact CD2-CD2 3.95Å; W588-L610 HydrophobicContact CD2-CG 4.41Å; W588-L610 VanDerWaalsContact CE2-CB 3.48Å; W588-L610 HydrophobicContact CE3-CB 4.08Å; W588-L610 HydrophobicContact CE3-CD2 3.86Å; W588-L610 HydrophobicContact CG-CB 4.06Å; W588-L610 HydrophobicContact CG-CD2 4.18Å; W588-L610 HydrophobicContact CH2-CB 4.16Å; W588-L610 HydrophobicContact CZ2-CB 3.74Å; W588-L610 HydrophobicContact CZ3-CB 4.32Å; W588-L610 HydrophobicContact CZ3-CD2 4.44Å; V595-L610 HydrophobicContact CG1-CD1 4.24Å; V595-L610 HydrophobicContact CG2-CD2 4.2Å; F597-L610 HydrophobicContact CE1-CD1 3.63Å; F597-L610 HydrophobicContact CZ-CD1 4.19Å; H602-L610 HydrophobicContact CB-CD1 4.15Å; L610-I612 HydrophobicContact CD2-CD1 4.44Å; L610-I612 HydrophobicContact CD2-CG1 4.49Å; L610-I612 HydrophobicContact CG-CG1 4.16Å; L610-Y635 HydrophobicContact CD2-CD1 3.44Å; L610-Y635 VanDerWaalsContact CD2-CD1 3.44Å; L610-Y635 HydrophobicContact CD2-CE1 3.99Å; L610-Y635 HydrophobicContact CD2-CG 4.3Å |
| 611 | I | 92 | Very high | 78 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 28% | 0.277 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.1 | 173.9 | -57.4 | 169 | 0 | 0 | 0 | 106.9 | I568 F603 I613 | I568-I611 CarbonylContact O-C 3.55Å; I568-I611 WeakPolarHBondContact O-CA 3.35Å; F603-I611 HydrophobicContact CB-CB 4.2Å; F603-I611 PolarHBondContact N-O 3.37Å; F603-I611 PolarHBondContact O-N 3.3Å; I611-I613 HydrophobicContact CG2-CG2 4.09Å |
| 612 | I | 91.2 | Very high | 76.5 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.8 | 172.3 | -47.8 | -179.4 | 0 | 0 | 0 | 106.4 | S567 I568 M570 R601 L610 V615 Y635 L649 | S567-I612 CarbonylContact C-O 3.5Å; S567-I612 WeakPolarHBondContact CA-O 3.24Å; I568-I612 HydrophobicContact CG2-CB 4.02Å; I568-I612 HydrophobicContact CG2-CD1 4.41Å; I568-I612 HydrophobicContact CG2-CG1 4.3Å; I568-I612 PolarHBondContact N-O 2.71Å; I568-I612 PolarHBondContact O-N 2.97Å; M570-I612 HydrophobicContact CE-CD1 3.59Å; M570-I612 HydrophobicContact CE-CG1 4.08Å; R601-I612 WeakPolarHBondContact O-CA 3.49Å; L610-I612 HydrophobicContact CD2-CD1 4.44Å; L610-I612 HydrophobicContact CD2-CG1 4.49Å; L610-I612 HydrophobicContact CG-CG1 4.16Å; I612-V615 HydrophobicContact CB-CG2 4.09Å; I612-V615 HydrophobicContact CG2-CG2 3.65Å; I612-Y635 HydrophobicContact CD1-CD1 4.29Å; I612-Y635 HydrophobicContact CD1-CE1 3.7Å; I612-Y635 HydrophobicContact CD1-CE2 4.12Å; I612-L649 HydrophobicContact CD1-CD1 3.87Å |
| 613 | I | 87 | Confident | 74.8 | Confident | 57 Ų | 57 | 70 Ų | 70 | 29% | 0.292 | 36% | 0.362 | S | S | . | . | trans | -106.1 | 151.8 | 173.8 | 64.5 | 177 | 0 | 0 | 0 | 110 | S567 R601 F603 I611 V615 | S567-I613 WeakPolarHBondContact OG-CA 3.39Å; R601-I613 PolarHBondContact O-N 3.36Å; F603-I613 HydrophobicContact CD2-CD1 4.14Å; F603-I613 HydrophobicContact CD2-CG1 4.16Å; F603-I613 HydrophobicContact CE2-CD1 3.29Å; F603-I613 HydrophobicContact CE2-CG1 3.58Å; F603-I613 HydrophobicContact CZ-CD1 3.83Å; I611-I613 HydrophobicContact CG2-CG2 4.09Å; I613-V615 VanDerWaalsContact C-N 3.33Å; I613-V615 PolarHBondContact O-N 2.05Å | ||
| 614 | N | 81.7 | Confident | 73.1 | Confident | 84 Ų | 84 | 70 Ų | 70 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 49.8 | 53 | 177.6 | -66.4 | -28.6 | 0 | 0 | 0 | 112.3 | D566 C616 T617 | D566-N614 PolarHBondContact O-N 2.99Å; N614-C616 PolarHBondContact O-N 2.8Å; N614-T617 HydrophobicContact CB-CG2 3.9Å; N614-T617 WeakPolarHBondContact CB-OG1 3.38Å; N614-T617 PolarHBondContact O-N 3.09Å; N614-T617 PolarHBondContact O-OG1 2.83Å |
| 615 | V | 84.7 | Confident | 71.7 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 129.4 | -178 | 173 | 0 | 0 | 0 | 0 | 109.8 | L562 P564 G565 D566 I568 I612 I613 T617 C631 I651 | L562-V615 HydrophobicContact CD1-CG1 4.39Å; L562-V615 HydrophobicContact CD1-CG2 4.24Å; P564-V615 CarbonylContact C-O 3.5Å; P564-V615 VanDerWaalsContact CA-O 3.29Å; P564-V615 WeakPolarHBondContact CA-O 3.45Å; G565-V615 PolarHBondContact N-O 2.82Å; D566-V615 WeakPolarHBondContact O-CB 3.47Å; D566-V615 VanDerWaalsContact O-CG2 3.23Å; D566-V615 WeakPolarHBondContact O-CG2 3.11Å; D566-V615 PolarHBondContact O-N 2.8Å; I568-V615 HydrophobicContact CG2-CG2 4.49Å; I612-V615 HydrophobicContact CB-CG2 4.09Å; I612-V615 HydrophobicContact CG2-CG2 3.65Å; I613-V615 VanDerWaalsContact C-N 3.33Å; I613-V615 PolarHBondContact O-N 2.05Å; V615-T617 PolarHBondContact O-N 2.8Å; V615-C631 HydrophobicContact CG1-CB 4.48Å; V615-I651 HydrophobicContact CG1-CD1 3.45Å; V615-I651 VanDerWaalsContact CG1-CD1 3.45Å |
| 616 | C | 77.7 | Confident | 70.7 | Confident | 4 Ų | 4 | 68.7 Ų | 68.7 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 20.1 | 178.3 | -53.3 | 0 | 0 | 0 | 0 | 116.7 | P564 N614 T628 C631 I651 | P564-C616 HydrophobicContact CB-CB 4.4Å; N614-C616 PolarHBondContact O-N 2.8Å; C616-T628 HydrophobicContact CB-CG2 4.22Å; C616-C631 WeakPolarHBondContact SG-CB 3.44Å; C616-C631 VanDerWaalsContact SG-SG 3.64Å; C616-I651 HydrophobicContact CB-CG2 4.32Å |
| 617 | T | 69.4 | Low | 70.2 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | trans | -74.8 | 135.9 | 174.5 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | G565 N614 V615 H619 | G565-T617 VanDerWaalsContact CA-CG2 3.46Å; N614-T617 HydrophobicContact CB-CG2 3.9Å; N614-T617 WeakPolarHBondContact CB-OG1 3.38Å; N614-T617 PolarHBondContact O-N 3.09Å; N614-T617 PolarHBondContact O-OG1 2.83Å; V615-T617 PolarHBondContact O-N 2.8Å; T617-H619 PolarHBondContact O-N 3.11Å; T617-H619 VanDerWaalsContact O-N 3.16Å | ||
| 618 | V | 61.5 | Low | 69.8 | Low | 64 Ų | 64 | 58.4 Ų | 58.4 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | trans | -73.6 | 106.5 | -179.8 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | F620 L622 T624 A627 | V618-F620 PolarHBondContact O-N 2.93Å; V618-L622 HydrophobicContact CG1-CB 4.26Å; V618-L622 WeakPolarHBondContact CG1-O 2.97Å; V618-T624 HydrophobicContact CG2-CG2 4.18Å; V618-A627 HydrophobicContact CG2-CB 4.44Å | ||
| 619 | H | 53.9 | Low | 69.2 | Low | 166 Ų | 166 | 66.1 Ų | 66.1 | 77% | 0.769 | 35% | 0.35 | S | S | * | . | trans | -75.9 | 118.5 | 154.5 | -106.7 | -73.1 | 0 | 0 | 0 | 107.2 | T617 | T617-H619 PolarHBondContact O-N 3.11Å; T617-H619 VanDerWaalsContact O-N 3.16Å | ||
| 620 | F | 47 | Very low | 68.5 | Low | 195 Ų | 195 | 71 Ų | 71 | 86% | 0.855 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 12.1 | 109.1 | 169 | -111.7 | -99.4 | 0 | 0 | 0 | 115.4 | V618 | V618-F620 PolarHBondContact O-N 2.93Š|
| 621 | Q | 52.7 | Low | 67.9 | Low | 188 Ų | 188 | 71.6 Ų | 71.6 | 88% | 0.879 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 99.3 | 4.3 | 168 | -53 | 177.8 | -33 | 0 | 0 | 119.8 | ||
| 622 | L | 50.5 | Low | 67.7 | Low | 78 Ų | 78 | 70.5 Ų | 70.5 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | trans | -102.9 | 151.8 | 167 | -115.2 | 78.2 | 0 | 0 | 0 | 112.7 | V618 A626 | V618-L622 HydrophobicContact CG1-CB 4.26Å; V618-L622 WeakPolarHBondContact CG1-O 2.97Å; L622-A626 HydrophobicContact CD2-CB 3.58Å; L622-A626 HydrophobicContact CG-CB 3.88Å | ||
| 623 | S | 54.6 | Low | 67.7 | Low | 73 Ų | 73 | 70.9 Ų | 70.9 | 51% | 0.51 | 38% | 0.38 | S | S | . | . | trans | -76.3 | 152.7 | 166.6 | 66.1 | 0 | 0 | 0 | 0 | 110.3 | A625 A626 A627 | S623-A625 PolarHBondContact O-N 3.42Å; S623-A626 PolarHBondContact O-N 3.22Å; S623-A626 PolarHBondContact OG-N 3.36Å; S623-A627 PolarHBondContact O-N 3.49Å; S623-A627 VanDerWaalsContact O-N 3.08Å | ||
| 624 | T | 56 | Low | 68 | Low | 92 Ų | 92 | 69.4 Ų | 69.4 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -53.4 | -40.7 | 176.4 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | V618 A626 A627 T628 | V618-T624 HydrophobicContact CG2-CG2 4.18Å; T624-A626 VanDerWaalsContact C-N 3.34Å; T624-A626 PolarHBondContact O-N 3.42Å; T624-A627 PolarHBondContact O-N 3.14Å; T624-T628 WeakPolarHBondContact O-CG2 3.48Å; T624-T628 PolarHBondContact O-N 2.64Å; T624-T628 PolarHBondContact O-OG1 3.31Å |
| 625 | A | 58.1 | Low | 68.5 | Low | 50 Ų | 50 | 65.5 Ų | 65.5 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.2 | -27.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S623 T628 | S623-A625 PolarHBondContact O-N 3.42Å; A625-T628 WeakPolarHBondContact CA-OG1 3.46Å; A625-T628 PolarHBondContact O-OG1 3.07Å; A625-T628 VanDerWaalsContact O-OG1 3.12Å |
| 626 | A | 61.7 | Low | 68.9 | Low | 36 Ų | 36 | 65.9 Ų | 65.9 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.8 | -42.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L622 S623 T624 T628 K629 E630 | L622-A626 HydrophobicContact CD2-CB 3.58Å; L622-A626 HydrophobicContact CG-CB 3.88Å; S623-A626 PolarHBondContact O-N 3.22Å; S623-A626 PolarHBondContact OG-N 3.36Å; T624-A626 VanDerWaalsContact C-N 3.34Å; T624-A626 PolarHBondContact O-N 3.42Å; A626-T628 VanDerWaalsContact C-N 3.35Å; A626-T628 PolarHBondContact O-N 2.9Å; A626-K629 PolarHBondContact O-N 2.92Å; A626-E630 PolarHBondContact O-N 2.92Å |
| 627 | A | 63 | Low | 69.4 | Low | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V618 S623 T624 E630 C631 | V618-A627 HydrophobicContact CG2-CB 4.44Å; S623-A627 PolarHBondContact O-N 3.49Å; S623-A627 VanDerWaalsContact O-N 3.08Å; T624-A627 PolarHBondContact O-N 3.14Å; A627-E630 PolarHBondContact O-N 2.71Å; A627-C631 PolarHBondContact O-N 3.48Å; A627-C631 PolarHBondContact O-SG 2.87Å |
| 628 | T | 62.9 | Low | 70.1 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | C616 T624 A625 A626 E630 A632 I651 D653 | C616-T628 HydrophobicContact CB-CG2 4.22Å; T624-T628 WeakPolarHBondContact O-CG2 3.48Å; T624-T628 PolarHBondContact O-N 2.64Å; T624-T628 PolarHBondContact O-OG1 3.31Å; A625-T628 WeakPolarHBondContact CA-OG1 3.46Å; A625-T628 PolarHBondContact O-OG1 3.07Å; A625-T628 VanDerWaalsContact O-OG1 3.12Å; A626-T628 VanDerWaalsContact C-N 3.35Å; A626-T628 PolarHBondContact O-N 2.9Å; T628-E630 VanDerWaalsContact C-N 3.28Å; T628-E630 PolarHBondContact O-N 2.63Å; T628-A632 WeakPolarHBondContact O-CB 3.02Å; T628-A632 PolarHBondContact O-N 2.96Å; T628-I651 HydrophobicContact CG2-CG2 3.82Å; T628-D653 HydrophobicContact CG2-CB 3.71Å; T628-D653 PolarHBondContact OG1-OD2 3.15Å |
| 629 | K | 67.6 | Low | 70.9 | Confident | 177 Ų | 177 | 63.3 Ų | 63.3 | 77% | 0.77 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.6 | -27.5 | 173 | -77.9 | -175.3 | 179.9 | -179.3 | 0 | 113.8 | A626 | A626-K629 PolarHBondContact O-N 2.92Å |
| 630 | E | 73.4 | Confident | 71.7 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -78.6 | -31 | 179.8 | -78 | -172.7 | 171.4 | 0 | 0 | 113.5 | F590 A626 A627 T628 | F590-E630 WeakPolarHBondContact CE1-O 3.32Å; F590-E630 WeakPolarHBondContact CZ-O 3.47Å; A626-E630 PolarHBondContact O-N 2.92Å; A627-E630 PolarHBondContact O-N 2.71Å; T628-E630 VanDerWaalsContact C-N 3.28Å; T628-E630 PolarHBondContact O-N 2.63Å |
| 631 | C | 79.5 | Confident | 72.9 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 8% | 0.081 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -104.8 | -21.9 | -178.4 | -35.9 | 0 | 0 | 0 | 0 | 114 | V615 C616 A627 Y635 | V615-C631 HydrophobicContact CG1-CB 4.48Å; C616-C631 WeakPolarHBondContact SG-CB 3.44Å; C616-C631 VanDerWaalsContact SG-SG 3.64Å; A627-C631 PolarHBondContact O-N 3.48Å; A627-C631 PolarHBondContact O-SG 2.87Å; C631-Y635 WeakPolarHBondContact O-CE2 3.37Å; C631-Y635 PolarHBondContact O-OH 2.69Å |
| 632 | A | 87.9 | Confident | 73.9 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 26% | 0.256 | 30% | 0.304 | S | S | . | . | trans | -70.7 | 133.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T628 I651 | T628-A632 WeakPolarHBondContact O-CB 3.02Å; T628-A632 PolarHBondContact O-N 2.96Å; A632-I651 HydrophobicContact CB-CB 4.39Å; A632-I651 HydrophobicContact CB-CG1 3.72Å | ||
| 633 | G | 91 | Very high | 75.2 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.4 | -164.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L649 | G633-L649 PolarHBondContact N-O 2.74Å; G633-L649 VanDerWaalsContact N-O 3.1Å; G633-L649 PolarHBondContact O-N 3.29Å |
| 634 | S | 92.8 | Very high | 76.2 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 117.1 | -173.2 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | F590 N591 Y647 | F590-S634 CarbonylContact C-O 3.58Å; F590-S634 WeakPolarHBondContact CA-O 2.99Å; N591-S634 PolarHBondContact N-O 2.98Å; N591-S634 PolarHBondContact OD1-N 3.4Å; S634-Y647 CarbonylContact C-O 3.48Å; S634-Y647 WeakPolarHBondContact CA-O 3.28Å |
| 635 | Y | 93.6 | Very high | 77.4 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.7 | 169.5 | -68.3 | -97.8 | 0 | 0 | 0 | 109.5 | M570 L589 F590 V595 H602 L610 I612 C631 Y647 L649 | M570-Y635 HydrophobicContact CE-CD1 4.14Å; M570-Y635 HydrophobicContact CE-CD2 4.31Å; M570-Y635 HydrophobicContact CE-CG 3.88Å; L589-Y635 CarbonylContact O-C 3.53Å; L589-Y635 VanDerWaalsContact O-CA 3.26Å; L589-Y635 WeakPolarHBondContact O-CA 3.24Å; F590-Y635 HydrophobicContact CB-CD1 3.99Å; F590-Y635 HydrophobicContact CB-CE1 3.77Å; F590-Y635 AromaticContact CD2-CD1 3.98Å; F590-Y635 HydrophobicContact CD2-CD1 3.98Å; F590-Y635 AromaticContact CD2-CD2 3.76Å; F590-Y635 HydrophobicContact CD2-CD2 3.76Å; F590-Y635 AromaticContact CD2-CE1 3.57Å; F590-Y635 HydrophobicContact CD2-CE1 3.57Å; F590-Y635 AromaticContact CD2-CE2 3.3Å; F590-Y635 HydrophobicContact CD2-CE2 3.3Å; F590-Y635 HydrophobicContact CD2-CG 4.08Å; F590-Y635 AromaticContact CD2-CZ 3.21Å; F590-Y635 HydrophobicContact CE2-CD2 4.2Å; F590-Y635 HydrophobicContact CE2-CE1 4.4Å; F590-Y635 AromaticContact CE2-CE2 3.47Å; F590-Y635 HydrophobicContact CE2-CE2 3.47Å; F590-Y635 VanDerWaalsContact CE2-CE2 3.47Å; F590-Y635 AromaticContact CE2-CZ 3.6Å; F590-Y635 HydrophobicContact CG-CD1 4.38Å; F590-Y635 AromaticContact CG-CE1 3.88Å; F590-Y635 HydrophobicContact CG-CE1 3.88Å; F590-Y635 HydrophobicContact CG-CE2 4.36Å; F590-Y635 AromaticContact CG-CZ 3.86Å; V595-Y635 HydrophobicContact CG2-CD1 4.18Å; V595-Y635 HydrophobicContact CG2-CE1 4.31Å; H602-Y635 AromaticContact NE2-CE1 3.61Å; H602-Y635 AromaticContact NE2-CZ 3.95Å; H602-Y635 PolarHBondContact NE2-OH 2.95Å; L610-Y635 HydrophobicContact CD2-CD1 3.44Å; L610-Y635 VanDerWaalsContact CD2-CD1 3.44Å; L610-Y635 HydrophobicContact CD2-CE1 3.99Å; L610-Y635 HydrophobicContact CD2-CG 4.3Å; I612-Y635 HydrophobicContact CD1-CD1 4.29Å; I612-Y635 HydrophobicContact CD1-CE1 3.7Å; I612-Y635 HydrophobicContact CD1-CE2 4.12Å; C631-Y635 WeakPolarHBondContact O-CE2 3.37Å; C631-Y635 PolarHBondContact O-OH 2.69Å; Y635-Y647 PolarHBondContact N-O 2.88Å; Y635-Y647 PolarHBondContact O-N 3.49Å; Y635-L649 HydrophobicContact CD2-CD1 3.69Å; Y635-L649 HydrophobicContact CD2-CG 3.8Å; Y635-L649 HydrophobicContact CE2-CB 4.43Å; Y635-L649 HydrophobicContact CE2-CD1 3.47Å; Y635-L649 VanDerWaalsContact CE2-CD1 3.47Å; Y635-L649 HydrophobicContact CE2-CG 3.94Å |
| 636 | E | 91.3 | Very high | 78.9 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 130 | -176.8 | -57.6 | -171.5 | 149.5 | 0 | 0 | 110.1 | W588 L589 V638 K643 V645 | W588-E636 CarbonylContact C-O 3.58Å; W588-E636 WeakPolarHBondContact CA-O 3.24Å; L589-E636 PolarHBondContact N-O 3.2Å; L589-E636 PolarHBondContact O-N 2.99Å; E636-V638 HydrophobicContact CB-CG2 4.23Å; E636-K643 IonicContact OE1-NZ 3.97Å; E636-K643 PolarHBondContact OE1-NZ 3.04Å; E636-K643 WeakPolarHBondContact OE2-CE 3.43Å; E636-K643 IonicContact OE2-NZ 3.92Å; E636-K643 PolarHBondContact OE2-NZ 3.08Å; E636-V645 WeakPolarHBondContact CA-O 3.43Å |
| 637 | C | 88.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.4 | 169.2 | -158.8 | 0 | 0 | 0 | 0 | 109.1 | C572 W588 L644 V645 | C572-C637 HydrophobicContact CB-CB 3.77Å; C572-C637 WeakPolarHBondContact CB-SG 3.41Å; C572-C637 WeakPolarHBondContact SG-CB 3.37Å; C572-C637 CovalentContact SG-SG 2.01Å; C572-C637 PolarHBondContact SG-SG 3.18Å; W588-C637 HydrophobicContact CD2-CB 3.96Å; W588-C637 HydrophobicContact CE3-CB 3.99Å; W588-C637 HydrophobicContact CH2-CB 3.96Å; W588-C637 HydrophobicContact CZ2-CB 3.92Å; W588-C637 HydrophobicContact CZ3-CB 3.99Å; C637-L644 PolarHBondContact O-N 2.99Å; C637-V645 HydrophobicContact CB-CG1 3.64Å; C637-V645 PolarHBondContact N-O 3.05Å |
| 638 | V | 85.3 | Confident | 81.8 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 15% | 0.145 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.5 | -171.8 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | P586 V587 L589 E636 T642 K643 | P586-V638 WeakPolarHBondContact CA-O 3.33Å; V587-V638 PolarHBondContact N-O 3.23Å; V587-V638 PolarHBondContact O-N 3.47Å; L589-V638 HydrophobicContact CD1-CB 4.43Å; L589-V638 HydrophobicContact CD1-CG2 3.77Å; L589-V638 HydrophobicContact CG-CG2 4.3Å; E636-V638 HydrophobicContact CB-CG2 4.23Å; V638-T642 WeakPolarHBondContact CA-O 3.38Å; V638-T642 WeakPolarHBondContact CG1-O 3.31Å; V638-K643 HydrophobicContact CG2-CG 4.22Å |
| 639 | Q | 77.6 | Confident | 83.2 | Confident | 35 Ų | 35 | 49.4 Ų | 49.4 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 131.3 | 172.1 | -159.2 | -162.4 | 24.4 | 0 | 0 | 109.7 | Q574 P586 R641 T642 L644 | Q574-Q639 VanDerWaalsContact CD-OE1 3.27Å; P586-Q639 HydrophobicContact CB-CB 4.22Å; P586-Q639 HydrophobicContact CB-CG 4.46Å; Q639-R641 PolarHBondContact O-N 2.83Å; Q639-T642 PolarHBondContact N-O 2.85Å; Q639-T642 WeakPolarHBondContact O-CA 3.28Å; Q639-T642 VanDerWaalsContact O-CB 3.3Å; Q639-T642 WeakPolarHBondContact O-CB 3.43Å; Q639-T642 PolarHBondContact O-N 2.85Å; Q639-L644 HydrophobicContact CB-CD1 3.83Å; Q639-L644 HydrophobicContact CB-CG 4.28Å |
| 640 | H | 71.2 | Confident | 84.3 | Confident | 123 Ų | 123 | 44.9 Ų | 44.9 | 57% | 0.569 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 41.8 | -178.7 | -54.8 | 105 | 0 | 0 | 0 | 114 | T642 | H640-T642 PolarHBondContact O-N 2.86Š|
| 641 | R | 71.9 | Confident | 84.9 | Confident | 246 Ų | 246 | 41 Ų | 41 | 93% | 0.928 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 2.7 | -175.3 | -51.3 | 179 | 175.4 | -176.9 | -1.5 | 115.7 | Q639 | Q639-R641 PolarHBondContact O-N 2.83Š|
| 642 | T | 73.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.5 | 175.5 | -64 | 0 | 0 | 0 | 0 | 110.5 | V552 V638 Q639 H640 L644 | V552-T642 HydrophobicContact CB-CG2 4.34Å; V552-T642 HydrophobicContact CG1-CG2 3.15Å; V552-T642 HydrophobicContact CG2-CG2 4.24Å; V638-T642 WeakPolarHBondContact CA-O 3.38Å; V638-T642 WeakPolarHBondContact CG1-O 3.31Å; Q639-T642 PolarHBondContact N-O 2.85Å; Q639-T642 WeakPolarHBondContact O-CA 3.28Å; Q639-T642 VanDerWaalsContact O-CB 3.3Å; Q639-T642 WeakPolarHBondContact O-CB 3.43Å; Q639-T642 PolarHBondContact O-N 2.85Å; H640-T642 PolarHBondContact O-N 2.86Å; T642-L644 HydrophobicContact CG2-CD2 4.49Å; T642-L644 PolarHBondContact O-N 2.74Å |
| 643 | K | 78.3 | Confident | 84.5 | Confident | 87 Ų | 87 | 42.8 Ų | 42.8 | 38% | 0.378 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.4 | 171.2 | -63.5 | -174 | -175.5 | -163.7 | 0 | 108.9 | V555 E636 V638 | V555-K643 HydrophobicContact CG2-CB 4.03Å; V555-K643 WeakPolarHBondContact CG2-O 3.38Å; E636-K643 IonicContact OE1-NZ 3.97Å; E636-K643 PolarHBondContact OE1-NZ 3.04Å; E636-K643 WeakPolarHBondContact OE2-CE 3.43Å; E636-K643 IonicContact OE2-NZ 3.92Å; E636-K643 PolarHBondContact OE2-NZ 3.08Å; V638-K643 HydrophobicContact CG2-CG 4.22Å |
| 644 | L | 76 | Confident | 83.5 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -41.2 | 178.9 | -60.3 | 179.3 | 0 | 0 | 0 | 111.3 | T510 Q574 P586 C637 Q639 T642 | T510-L644 HydrophobicContact CG2-CD2 4.38Å; Q574-L644 HydrophobicContact CG-CD1 3.99Å; P586-L644 HydrophobicContact CB-CD1 3.94Å; C637-L644 PolarHBondContact O-N 2.99Å; Q639-L644 HydrophobicContact CB-CD1 3.83Å; Q639-L644 HydrophobicContact CB-CG 4.28Å; T642-L644 HydrophobicContact CG2-CD2 4.49Å; T642-L644 PolarHBondContact O-N 2.74Å |
| 645 | V | 81.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 150.9 | 176.5 | 67.3 | 0 | 0 | 0 | 0 | 109.6 | I558 W588 E636 C637 Y647 | I558-V645 HydrophobicContact CD1-CG2 4.04Å; W588-V645 HydrophobicContact CH2-CG1 3.9Å; W588-V645 HydrophobicContact CZ3-CG1 4.36Å; E636-V645 WeakPolarHBondContact CA-O 3.43Å; C637-V645 HydrophobicContact CB-CG1 3.64Å; C637-V645 PolarHBondContact N-O 3.05Å; V645-Y647 HydrophobicContact CB-CE2 4.21Å; V645-Y647 HydrophobicContact CG1-CD2 4.15Å; V645-Y647 HydrophobicContact CG1-CE2 3.75Å; V645-Y647 HydrophobicContact CG2-CD2 3.9Å; V645-Y647 HydrophobicContact CG2-CE2 3.38Å |
| 646 | S | 88 | Confident | 81 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122.8 | 175 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | R557 I558 | R557-S646 CarbonylContact C-O 3.59Å; R557-S646 WeakPolarHBondContact CA-O 3.39Å; I558-S646 PolarHBondContact N-O 3.44Å |
| 647 | Y | 92 | Very high | 80 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.9 | 174.3 | -71.3 | -91.1 | 0 | 0 | 0 | 109.3 | I558 K560 M570 N571 W588 S634 Y635 V645 | I558-Y647 HydrophobicContact CB-CD1 3.75Å; I558-Y647 HydrophobicContact CB-CE1 3.93Å; I558-Y647 HydrophobicContact CB-CG 4.46Å; I558-Y647 HydrophobicContact CD1-CD1 4.35Å; I558-Y647 HydrophobicContact CD1-CE1 3.73Å; I558-Y647 HydrophobicContact CG1-CE1 4.43Å; I558-Y647 HydrophobicContact CG2-CD1 3.86Å; I558-Y647 HydrophobicContact CG2-CE1 3.83Å; I558-Y647 CarbonylContact O-C 3.59Å; I558-Y647 VanDerWaalsContact O-CA 3.31Å; I558-Y647 WeakPolarHBondContact O-CA 3.33Å; K560-Y647 HydrophobicContact CG-CD1 4.42Å; M570-Y647 HydrophobicContact CB-CD1 4.32Å; M570-Y647 HydrophobicContact CB-CD2 3.82Å; M570-Y647 HydrophobicContact CB-CE1 4.16Å; M570-Y647 HydrophobicContact CB-CE2 3.62Å; M570-Y647 HydrophobicContact CB-CG 4.16Å; M570-Y647 HydrophobicContact CG-CD1 3.81Å; M570-Y647 HydrophobicContact CG-CD2 4.05Å; M570-Y647 HydrophobicContact CG-CE1 3.95Å; M570-Y647 HydrophobicContact CG-CE2 4.18Å; M570-Y647 HydrophobicContact CG-CG 3.86Å; M570-Y647 WeakPolarHBondContact SD-CB 3.27Å; M570-Y647 HydrophobicContact SD-CD1 3.84Å; M570-Y647 HydrophobicContact SD-CD2 3.88Å; M570-Y647 HydrophobicContact SD-CG 3.45Å; N571-Y647 PolarHBondContact N-OH 3.04Å; N571-Y647 PolarHBondContact O-OH 2.76Å; W588-Y647 HydrophobicContact CH2-CD2 4Å; W588-Y647 AromaticContact CH2-CE2 3.95Å; W588-Y647 HydrophobicContact CH2-CE2 3.95Å; W588-Y647 HydrophobicContact CZ3-CD2 4.08Å; W588-Y647 HydrophobicContact CZ3-CE2 4.48Å; S634-Y647 CarbonylContact C-O 3.48Å; S634-Y647 WeakPolarHBondContact CA-O 3.28Å; Y635-Y647 PolarHBondContact N-O 2.88Å; Y635-Y647 PolarHBondContact O-N 3.49Å; V645-Y647 HydrophobicContact CB-CE2 4.21Å; V645-Y647 HydrophobicContact CG1-CD2 4.15Å; V645-Y647 HydrophobicContact CG1-CE2 3.75Å; V645-Y647 HydrophobicContact CG2-CD2 3.9Å; V645-Y647 HydrophobicContact CG2-CE2 3.38Å |
| 648 | N | 93.4 | Very high | 79.2 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 107.4 | 172.6 | -173.7 | 50.5 | 0 | 0 | 0 | 108.5 | I558 T559 K560 | I558-N648 PolarHBondContact O-N 2.88Å; T559-N648 CarbonylContact C-O 3.54Å; T559-N648 VanDerWaalsContact CA-O 3.31Å; T559-N648 WeakPolarHBondContact CA-O 3.42Å; K560-N648 PolarHBondContact N-O 2.78Å |
| 649 | L | 92.9 | Very high | 78.9 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.9 | 179.6 | -57.8 | -168.5 | 0 | 0 | 0 | 109.4 | K560 L562 I568 M570 I612 G633 Y635 | K560-L649 HydrophobicContact CB-CD2 3.69Å; K560-L649 HydrophobicContact CG-CD2 4.35Å; L562-L649 HydrophobicContact CD1-CD1 4.04Å; L562-L649 HydrophobicContact CD1-CD2 4.04Å; L562-L649 HydrophobicContact CD1-CG 4.46Å; I568-L649 HydrophobicContact CD1-CD2 4Å; I568-L649 HydrophobicContact CG2-CD1 4.42Å; M570-L649 HydrophobicContact CE-CD1 4.26Å; M570-L649 HydrophobicContact SD-CD1 4.25Å; M570-L649 HydrophobicContact SD-CD2 3.91Å; M570-L649 HydrophobicContact SD-CG 4.33Å; I612-L649 HydrophobicContact CD1-CD1 3.87Å; G633-L649 PolarHBondContact N-O 2.74Å; G633-L649 VanDerWaalsContact N-O 3.1Å; G633-L649 PolarHBondContact O-N 3.29Å; Y635-L649 HydrophobicContact CD2-CD1 3.69Å; Y635-L649 HydrophobicContact CD2-CG 3.8Å; Y635-L649 HydrophobicContact CE2-CB 4.43Å; Y635-L649 HydrophobicContact CE2-CD1 3.47Å; Y635-L649 VanDerWaalsContact CE2-CD1 3.47Å; Y635-L649 HydrophobicContact CE2-CG 3.94Å |
| 650 | L | 90.3 | Very high | 79.2 | Confident | 81 Ų | 81 | 75.6 Ų | 75.6 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131 | 169.8 | -59.1 | -180 | 0 | 0 | 0 | 107.8 | T559 K560 L561 L562 | T559-L650 HydrophobicContact CG2-CD1 3.49Å; T559-L650 VanDerWaalsContact CG2-CD1 3.49Å; T559-L650 HydrophobicContact CG2-CG 3.81Å; K560-L650 PolarHBondContact O-N 2.55Å; L561-L650 CarbonylContact C-O 3.59Å; L561-L650 WeakPolarHBondContact CA-O 3.39Å; L561-L650 HydrophobicContact CD1-CB 3.9Å; L562-L650 PolarHBondContact N-O 2.93Å |
| 651 | I | 87.2 | Confident | 79.9 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.1 | 179.3 | -49.7 | -60.4 | 0 | 0 | 0 | 108.1 | L562 P564 V615 C616 T628 A632 | L562-I651 HydrophobicContact CB-CD1 3.86Å; L562-I651 HydrophobicContact CD1-CD1 4.44Å; L562-I651 VanDerWaalsContact O-CA 3.31Å; L562-I651 WeakPolarHBondContact O-CA 3.17Å; P564-I651 HydrophobicContact CG-CG2 4.19Å; V615-I651 HydrophobicContact CG1-CD1 3.45Å; V615-I651 VanDerWaalsContact CG1-CD1 3.45Å; C616-I651 HydrophobicContact CB-CG2 4.32Å; T628-I651 HydrophobicContact CG2-CG2 3.82Å; A632-I651 HydrophobicContact CB-CB 4.39Å; A632-I651 HydrophobicContact CB-CG1 3.72Å |
| 652 | D | 82.7 | Confident | 80.6 | Confident | 35 Ų | 35 | 67 Ų | 67 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | trans | -96 | 100.3 | 172.3 | -174.5 | -4.2 | 0 | 0 | 0 | 109.8 | L561 L562 Y563 P564 V654 S655 | L561-D652 HydrophobicContact CD1-CB 4.02Å; L562-D652 PolarHBondContact O-N 3.44Å; Y563-D652 HydrophobicContact CD1-CB 4.08Å; Y563-D652 WeakPolarHBondContact CD1-O 3.22Å; Y563-D652 HydrophobicContact CE1-CB 3.88Å; P564-D652 WeakPolarHBondContact CD-O 3.35Å; D652-V654 PolarHBondContact OD1-N 2.94Å; D652-S655 PolarHBondContact OD1-N 3.34Å; D652-S655 PolarHBondContact OD1-OG 3.38Å; D652-S655 WeakPolarHBondContact OD2-CB 3.41Å; D652-S655 PolarHBondContact OD2-OG 2.96Å | ||
| 653 | D | 74.9 | Confident | 81.1 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | trans | -91.6 | -12.2 | 172.5 | 61.3 | -8.5 | 0 | 0 | 0 | 113 | P564 T628 | P564-D653 HydrophobicContact CG-CB 4.28Å; T628-D653 HydrophobicContact CG2-CB 3.71Å; T628-D653 PolarHBondContact OG1-OD2 3.15Å | ||
| 654 | V | 70.7 | Confident | 81.3 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 60% | 0.6 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -82.2 | -44.7 | -174.8 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | D652 C656 N657 | D652-V654 PolarHBondContact OD1-N 2.94Å; V654-C656 PolarHBondContact O-N 3.07Å; V654-N657 WeakPolarHBondContact O-CB 3.46Å; V654-N657 PolarHBondContact O-N 2.83Å; V654-N657 PolarHBondContact O-ND2 3.41Å |
| 655 | S | 68.2 | Low | 81.7 | Confident | 77 Ų | 77 | 73.8 Ų | 73.8 | 54% | 0.538 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 112.9 | D652 N657 | D652-S655 PolarHBondContact OD1-N 3.34Å; D652-S655 PolarHBondContact OD1-OG 3.38Å; D652-S655 WeakPolarHBondContact OD2-CB 3.41Å; D652-S655 PolarHBondContact OD2-OG 2.96Å; S655-N657 PolarHBondContact O-N 2.88Å |
| 656 | C | 66 | Low | 81.8 | Confident | 81 Ų | 81 | 78.4 Ų | 78.4 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -3.7 | 175.4 | -153.5 | 0 | 0 | 0 | 0 | 113 | V654 | V654-C656 PolarHBondContact O-N 3.07Š|
| 657 | N | 69.7 | Low | 81.6 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 57% | 0.572 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -70.2 | 153.3 | 176.8 | -71.7 | -51.3 | 0 | 0 | 0 | 112.3 | V654 S655 | V654-N657 WeakPolarHBondContact O-CB 3.46Å; V654-N657 PolarHBondContact O-N 2.83Å; V654-N657 PolarHBondContact O-ND2 3.41Å; S655-N657 PolarHBondContact O-N 2.88Å |
| 658 | R | 72.7 | Confident | 81 | Confident | 214 Ų | 214 | 84.5 Ų | 84.5 | 81% | 0.808 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 126.1 | 175.7 | -178.2 | 178.8 | 178.5 | 171.9 | 0.7 | 110.4 | Q660 | R658-Q660 PolarHBondContact O-N 3.29Å; R658-Q660 PolarHBondContact O-NE2 2.03Å; R658-Q660 VanDerWaalsContact O-NE2 3.07Å |
| 659 | P | 78.7 | Confident | 80.6 | Confident | 43 Ų | 43 | 88.7 Ų | 88.7 | 28% | 0.279 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 132.4 | 179.7 | 21.2 | -30.5 | 0 | 0 | 0 | 111.1 | A664 F665 | P659-A664 HydrophobicContact CB-CB 3.87Å; P659-F665 HydrophobicContact CB-CB 4.17Å; P659-F665 HydrophobicContact CG-CB 3.97Å; P659-F665 HydrophobicContact CG-CD2 3.92Å; P659-F665 HydrophobicContact CG-CG 4.46Å |
| 660 | Q | 84 | Confident | 80.2 | Confident | 178 Ų | 178 | 95.3 Ų | 95.3 | 83% | 0.832 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -93.8 | -5.6 | -175.8 | -59.4 | -62.7 | -36.9 | 0 | 0 | 113.4 | R658 | R658-Q660 PolarHBondContact O-N 3.29Å; R658-Q660 PolarHBondContact O-NE2 2.03Å; R658-Q660 VanDerWaalsContact O-NE2 3.07Å |
| 661 | S | 86.6 | Confident | 79.8 | Confident | 64 Ų | 64 | 95.5 Ų | 95.5 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -135.7 | 154 | 178.2 | 75.5 | 0 | 0 | 0 | 0 | 111.1 | Q663 A664 F665 | S661-Q663 VanDerWaalsContact C-N 3.26Å; S661-Q663 PolarHBondContact O-N 2.96Å; S661-A664 PolarHBondContact O-N 3.19Å; S661-A664 VanDerWaalsContact OG-CB 3.29Å; S661-A664 WeakPolarHBondContact OG-CB 3.11Å; S661-A664 PolarHBondContact OG-N 3.42Å; S661-A664 VanDerWaalsContact OG-N 3.14Å; S661-F665 PolarHBondContact O-N 3.03Å |
| 662 | L | 85.7 | Confident | 79.6 | Confident | 125 Ų | 125 | 102.7 Ų | 102.7 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -36.8 | 178.5 | -172 | 70.9 | 0 | 0 | 0 | 111.8 | F665 H666 | L662-F665 PolarHBondContact O-N 2.94Å; L662-H666 PolarHBondContact O-N 3.18Å |
| 663 | Q | 84.2 | Confident | 79.8 | Confident | 168 Ų | 168 | 103.4 Ų | 103.4 | 79% | 0.785 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.9 | -40.3 | 177.6 | -166.5 | 170.1 | 4.6 | 0 | 0 | 112 | S661 F665 H666 S667 | S661-Q663 VanDerWaalsContact C-N 3.26Å; S661-Q663 PolarHBondContact O-N 2.96Å; Q663-F665 VanDerWaalsContact C-N 3.34Å; Q663-H666 PolarHBondContact O-N 2.68Å; Q663-S667 PolarHBondContact O-N 3.13Å |
| 664 | A | 82.1 | Confident | 80.3 | Confident | 36 Ų | 36 | 107.1 Ų | 107.1 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P659 S661 S667 V668 | P659-A664 HydrophobicContact CB-CB 3.87Å; S661-A664 PolarHBondContact O-N 3.19Å; S661-A664 VanDerWaalsContact OG-CB 3.29Å; S661-A664 WeakPolarHBondContact OG-CB 3.11Å; S661-A664 PolarHBondContact OG-N 3.42Å; S661-A664 VanDerWaalsContact OG-N 3.14Å; A664-S667 PolarHBondContact O-N 2.74Å; A664-V668 WeakPolarHBondContact O-CG2 3.28Å; A664-V668 PolarHBondContact O-N 3.41Å |
| 665 | F | 84.4 | Confident | 80.8 | Confident | 104 Ų | 104 | 106.7 Ų | 106.7 | 46% | 0.456 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.5 | 176.6 | -98.7 | 0 | 0 | 0 | 112.2 | P659 S661 L662 Q663 S667 V668 Y669 | P659-F665 HydrophobicContact CB-CB 4.17Å; P659-F665 HydrophobicContact CG-CB 3.97Å; P659-F665 HydrophobicContact CG-CD2 3.92Å; P659-F665 HydrophobicContact CG-CG 4.46Å; S661-F665 PolarHBondContact O-N 3.03Å; L662-F665 PolarHBondContact O-N 2.94Å; Q663-F665 VanDerWaalsContact C-N 3.34Å; F665-S667 VanDerWaalsContact C-N 3.32Å; F665-S667 PolarHBondContact O-N 3.46Å; F665-V668 PolarHBondContact O-N 3.4Å; F665-Y669 VanDerWaalsContact O-CB 3.29Å; F665-Y669 WeakPolarHBondContact O-CB 3.4Å; F665-Y669 PolarHBondContact O-N 3.28Å |
| 666 | H | 84.5 | Confident | 81.6 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 176 | -73.3 | 177.7 | 0 | 0 | 0 | 112.7 | L662 Q663 Y669 Q670 | L662-H666 PolarHBondContact O-N 3.18Å; Q663-H666 PolarHBondContact O-N 2.68Å; H666-Y669 PolarHBondContact O-N 3.33Å; H666-Q670 WeakPolarHBondContact O-CB 3.23Å; H666-Q670 VanDerWaalsContact O-CG 3.31Å; H666-Q670 WeakPolarHBondContact O-CG 3.37Å; H666-Q670 PolarHBondContact O-N 3.35Å |
| 667 | S | 82 | Confident | 82.6 | Confident | 70 Ų | 70 | 108.1 Ų | 108.1 | 49% | 0.49 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 111.7 | Q663 A664 F665 Y669 Q670 E671 | Q663-S667 PolarHBondContact O-N 3.13Å; A664-S667 PolarHBondContact O-N 2.74Å; F665-S667 VanDerWaalsContact C-N 3.32Å; F665-S667 PolarHBondContact O-N 3.46Å; S667-Y669 VanDerWaalsContact C-N 3.31Å; S667-Y669 PolarHBondContact O-N 3Å; S667-Q670 PolarHBondContact O-N 3.37Å; S667-E671 PolarHBondContact O-N 2.93Å |
| 668 | V | 81.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 108.2 Ų | 108.2 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.5 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | A664 F665 E671 W672 | A664-V668 WeakPolarHBondContact O-CG2 3.28Å; A664-V668 PolarHBondContact O-N 3.41Å; F665-V668 PolarHBondContact O-N 3.4Å; V668-E671 PolarHBondContact O-N 3.03Å; V668-W672 WeakPolarHBondContact O-CB 3.4Å; V668-W672 PolarHBondContact O-N 3.18Å |
| 669 | Y | 84 | Confident | 83.7 | Confident | 139 Ų | 139 | 104 Ų | 104 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 177.7 | -175.9 | -96.1 | 0 | 0 | 0 | 112.5 | F665 H666 S667 E671 W672 C673 | F665-Y669 VanDerWaalsContact O-CB 3.29Å; F665-Y669 WeakPolarHBondContact O-CB 3.4Å; F665-Y669 PolarHBondContact O-N 3.28Å; H666-Y669 PolarHBondContact O-N 3.33Å; S667-Y669 VanDerWaalsContact C-N 3.31Å; S667-Y669 PolarHBondContact O-N 3Å; Y669-E671 VanDerWaalsContact C-N 3.35Å; Y669-E671 PolarHBondContact O-N 3.18Å; Y669-W672 PolarHBondContact O-N 2.03Å; Y669-C673 VanDerWaalsContact CE1-SG 3.54Å; Y669-C673 WeakPolarHBondContact O-CB 3.4Å; Y669-C673 PolarHBondContact O-N 2.64Å; Y669-C673 PolarHBondContact O-SG 3.49Å |
| 670 | Q | 84.6 | Confident | 84 | Confident | 140 Ų | 140 | 106.2 Ų | 106.2 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 176.5 | -77.1 | 177.8 | -3.4 | 0 | 0 | 112.1 | H666 S667 C673 R674 | H666-Q670 WeakPolarHBondContact O-CB 3.23Å; H666-Q670 VanDerWaalsContact O-CG 3.31Å; H666-Q670 WeakPolarHBondContact O-CG 3.37Å; H666-Q670 PolarHBondContact O-N 3.35Å; S667-Q670 PolarHBondContact O-N 3.37Å; Q670-C673 PolarHBondContact O-N 3.09Å; Q670-R674 PolarHBondContact O-N 3.15Å |
| 671 | E | 82 | Confident | 84.1 | Confident | 84 Ų | 84 | 102.3 Ų | 102.3 | 39% | 0.393 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 174.5 | 177.1 | 149.8 | -126.1 | 0 | 0 | 111.5 | S667 V668 Y669 C673 R674 E675 | S667-E671 PolarHBondContact O-N 2.93Å; V668-E671 PolarHBondContact O-N 3.03Å; Y669-E671 VanDerWaalsContact C-N 3.35Å; Y669-E671 PolarHBondContact O-N 3.18Å; E671-C673 VanDerWaalsContact C-N 3.3Å; E671-C673 PolarHBondContact O-N 3.28Å; E671-R674 WeakPolarHBondContact O-CA 3.17Å; E671-R674 WeakPolarHBondContact O-CB 3.38Å; E671-R674 PolarHBondContact O-N 3.39Å; E671-R674 IonicContact OE1-CZ 3.04Å; E671-R674 IonicContact OE1-NH2 3.29Å; E671-R674 PolarHBondContact OE1-NH2 3.34Å; E671-E675 HydrophobicContact CG-CG 4.49Å; E671-E675 WeakPolarHBondContact O-CG 3.25Å; E671-E675 PolarHBondContact O-N 3.18Å |
| 672 | W | 82.6 | Confident | 83.8 | Confident | 176 Ų | 176 | 103 Ų | 103 | 67% | 0.667 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -38.7 | 177.5 | -146 | 84.4 | 0 | 0 | 0 | 112.3 | V668 Y669 R674 F676 | V668-W672 WeakPolarHBondContact O-CB 3.4Å; V668-W672 PolarHBondContact O-N 3.18Å; Y669-W672 PolarHBondContact O-N 2.03Å; W672-R674 VanDerWaalsContact C-N 3.35Å; W672-R674 PolarHBondContact O-N 3.32Å; W672-F676 HydrophobicContact CE3-CB 4.43Å; W672-F676 HydrophobicContact CZ3-CD2 4.44Å; W672-F676 HydrophobicContact CZ3-CG 4.49Å; W672-F676 WeakPolarHBondContact O-CB 3.32Å; W672-F676 PolarHBondContact O-N 3.1Å |
| 673 | C | 86.8 | Confident | 83.6 | Confident | 49 Ų | 49 | 99.5 Ų | 99.5 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 171.8 | -78.1 | 0 | 0 | 0 | 0 | 112.2 | Y669 Q670 E671 Q677 | Y669-C673 VanDerWaalsContact CE1-SG 3.54Å; Y669-C673 WeakPolarHBondContact O-CB 3.4Å; Y669-C673 PolarHBondContact O-N 2.64Å; Y669-C673 PolarHBondContact O-SG 3.49Å; Q670-C673 PolarHBondContact O-N 3.09Å; E671-C673 VanDerWaalsContact C-N 3.3Å; E671-C673 PolarHBondContact O-N 3.28Å; C673-Q677 VanDerWaalsContact O-CG 3.25Å; C673-Q677 WeakPolarHBondContact O-CG 3.21Å; C673-Q677 PolarHBondContact O-N 3.34Å; C673-Q677 VanDerWaalsContact O-N 3.07Å |
| 674 | R | 84.8 | Confident | 83.7 | Confident | 123 Ų | 123 | 96.8 Ų | 96.8 | 46% | 0.464 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.4 | -51.9 | 177.1 | -175.1 | -171.5 | 68.9 | -137.4 | -4.7 | 111 | Q670 E671 W672 F676 Q677 E678 | Q670-R674 PolarHBondContact O-N 3.15Å; E671-R674 WeakPolarHBondContact O-CA 3.17Å; E671-R674 WeakPolarHBondContact O-CB 3.38Å; E671-R674 PolarHBondContact O-N 3.39Å; E671-R674 IonicContact OE1-CZ 3.04Å; E671-R674 IonicContact OE1-NH2 3.29Å; E671-R674 PolarHBondContact OE1-NH2 3.34Å; W672-R674 VanDerWaalsContact C-N 3.35Å; W672-R674 PolarHBondContact O-N 3.32Å; R674-F676 VanDerWaalsContact C-N 3.3Å; R674-F676 PolarHBondContact O-N 3.46Å; R674-Q677 WeakPolarHBondContact O-CB 3.49Å; R674-Q677 PolarHBondContact O-N 2.73Å; R674-Q677 VanDerWaalsContact O-N 3.12Å; R674-E678 PolarHBondContact O-N 3.01Å |
| 675 | E | 82 | Confident | 83.5 | Confident | 91 Ų | 91 | 103.3 Ų | 103.3 | 43% | 0.425 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 178.2 | -64 | -55.2 | 132.8 | 0 | 0 | 111.5 | E671 Q677 E678 Y679 | E671-E675 HydrophobicContact CG-CG 4.49Å; E671-E675 WeakPolarHBondContact O-CG 3.25Å; E671-E675 PolarHBondContact O-N 3.18Å; E675-Q677 VanDerWaalsContact C-N 3.33Å; E675-Q677 PolarHBondContact O-N 2.91Å; E675-E678 PolarHBondContact O-N 2.98Å; E675-Y679 WeakPolarHBondContact O-CB 3.4Å; E675-Y679 PolarHBondContact O-N 2.73Å |
| 676 | F | 85.2 | Confident | 83.4 | Confident | 78 Ų | 78 | 104.5 Ų | 104.5 | 34% | 0.342 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 177.1 | -174.4 | -119.1 | 0 | 0 | 0 | 113 | W672 R674 Y679 K680 | W672-F676 HydrophobicContact CE3-CB 4.43Å; W672-F676 HydrophobicContact CZ3-CD2 4.44Å; W672-F676 HydrophobicContact CZ3-CG 4.49Å; W672-F676 WeakPolarHBondContact O-CB 3.32Å; W672-F676 PolarHBondContact O-N 3.1Å; R674-F676 VanDerWaalsContact C-N 3.3Å; R674-F676 PolarHBondContact O-N 3.46Å; F676-Y679 HydrophobicContact CD2-CD1 4.48Å; F676-K680 HydrophobicContact CD1-CD 4.41Å; F676-K680 HydrophobicContact CE1-CD 4.19Å; F676-K680 VanDerWaalsContact CZ-CE 3.47Å; F676-K680 WeakPolarHBondContact O-CG 3.24Å; F676-K680 PolarHBondContact O-N 3.42Å |
| 677 | Q | 86.4 | Confident | 83.3 | Confident | 110 Ų | 110 | 103.7 Ų | 103.7 | 51% | 0.514 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 173.1 | -68.7 | -66.5 | -19.9 | 0 | 0 | 111.5 | C673 R674 E675 K680 L681 | C673-Q677 VanDerWaalsContact O-CG 3.25Å; C673-Q677 WeakPolarHBondContact O-CG 3.21Å; C673-Q677 PolarHBondContact O-N 3.34Å; C673-Q677 VanDerWaalsContact O-N 3.07Å; R674-Q677 WeakPolarHBondContact O-CB 3.49Å; R674-Q677 PolarHBondContact O-N 2.73Å; R674-Q677 VanDerWaalsContact O-N 3.12Å; E675-Q677 VanDerWaalsContact C-N 3.33Å; E675-Q677 PolarHBondContact O-N 2.91Å; Q677-K680 PolarHBondContact O-N 3.28Å; Q677-L681 WeakPolarHBondContact O-CG 3.5Å; Q677-L681 PolarHBondContact O-N 2.99Å |
| 678 | E | 81.7 | Confident | 83.2 | Confident | 108 Ų | 108 | 106.8 Ų | 106.8 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 174 | -69.9 | -163.5 | 176.8 | 0 | 0 | 112.3 | R674 E675 L681 T682 | R674-E678 PolarHBondContact O-N 3.01Å; E675-E678 PolarHBondContact O-N 2.98Å; E678-L681 PolarHBondContact O-N 3.13Å; E678-T682 WeakPolarHBondContact O-CB 3.44Å; E678-T682 PolarHBondContact O-N 3.17Å; E678-T682 PolarHBondContact O-OG1 2.91Å |
| 679 | Y | 84 | Confident | 83 | Confident | 127 Ų | 127 | 110.2 Ų | 110.2 | 50% | 0.498 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 173 | 174.6 | -100 | 0 | 0 | 0 | 111.2 | E675 F676 L681 T682 M683 | E675-Y679 WeakPolarHBondContact O-CB 3.4Å; E675-Y679 PolarHBondContact O-N 2.73Å; F676-Y679 HydrophobicContact CD2-CD1 4.48Å; Y679-L681 VanDerWaalsContact C-N 3.34Å; Y679-L681 PolarHBondContact O-N 2.63Å; Y679-T682 PolarHBondContact O-N 3.43Å; Y679-M683 HydrophobicContact CD1-CG 4.28Å; Y679-M683 HydrophobicContact CD2-CG 4.34Å; Y679-M683 HydrophobicContact CE1-CG 3.72Å; Y679-M683 HydrophobicContact CE2-CG 3.8Å; Y679-M683 VanDerWaalsContact CZ-CG 3.46Å; Y679-M683 WeakPolarHBondContact O-CB 3.22Å; Y679-M683 PolarHBondContact O-N 2.87Å |
| 680 | K | 84.4 | Confident | 82.7 | Confident | 89 Ų | 89 | 105 Ų | 105 | 39% | 0.387 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.9 | -45.5 | 176 | -79.5 | 175.8 | 173.5 | 174.1 | 0 | 112.3 | F676 Q677 T682 M683 L684 | F676-K680 HydrophobicContact CD1-CD 4.41Å; F676-K680 HydrophobicContact CE1-CD 4.19Å; F676-K680 VanDerWaalsContact CZ-CE 3.47Å; F676-K680 WeakPolarHBondContact O-CG 3.24Å; F676-K680 PolarHBondContact O-N 3.42Å; Q677-K680 PolarHBondContact O-N 3.28Å; K680-T682 VanDerWaalsContact C-N 3.33Å; K680-T682 PolarHBondContact O-N 2.98Å; K680-M683 PolarHBondContact O-N 3.45Å; K680-L684 WeakPolarHBondContact O-CB 3.43Å; K680-L684 VanDerWaalsContact O-CG 3.28Å; K680-L684 WeakPolarHBondContact O-CG 3.42Å; K680-L684 PolarHBondContact O-N 3.3Å |
| 681 | L | 86.1 | Confident | 82.4 | Confident | 95 Ų | 95 | 102.3 Ų | 102.3 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178 | -71.4 | 171.8 | 0 | 0 | 0 | 112 | Q677 E678 Y679 L684 R685 | Q677-L681 WeakPolarHBondContact O-CG 3.5Å; Q677-L681 PolarHBondContact O-N 2.99Å; E678-L681 PolarHBondContact O-N 3.13Å; Y679-L681 VanDerWaalsContact C-N 3.34Å; Y679-L681 PolarHBondContact O-N 2.63Å; L681-L684 PolarHBondContact O-N 3.23Å; L681-R685 WeakPolarHBondContact O-CG 3.45Å; L681-R685 PolarHBondContact O-N 3.06Å |
| 682 | T | 80.6 | Confident | 82 | Confident | 78 Ų | 78 | 104.4 Ų | 104.4 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 179 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | E678 Y679 K680 L684 R685 W686 | E678-T682 WeakPolarHBondContact O-CB 3.44Å; E678-T682 PolarHBondContact O-N 3.17Å; E678-T682 PolarHBondContact O-OG1 2.91Å; Y679-T682 PolarHBondContact O-N 3.43Å; K680-T682 VanDerWaalsContact C-N 3.33Å; K680-T682 PolarHBondContact O-N 2.98Å; T682-L684 VanDerWaalsContact C-N 3.33Å; T682-L684 PolarHBondContact O-N 3.41Å; T682-R685 PolarHBondContact O-N 3.48Å; T682-W686 WeakPolarHBondContact O-CB 3.23Å; T682-W686 PolarHBondContact O-N 3.04Å |
| 683 | M | 81.8 | Confident | 81.6 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 26% | 0.261 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 172.7 | -85.6 | -66.2 | -79.2 | 0 | 0 | 112.2 | Y679 K680 W686 K687 E712 | Y679-M683 HydrophobicContact CD1-CG 4.28Å; Y679-M683 HydrophobicContact CD2-CG 4.34Å; Y679-M683 HydrophobicContact CE1-CG 3.72Å; Y679-M683 HydrophobicContact CE2-CG 3.8Å; Y679-M683 VanDerWaalsContact CZ-CG 3.46Å; Y679-M683 WeakPolarHBondContact O-CB 3.22Å; Y679-M683 PolarHBondContact O-N 2.87Å; K680-M683 PolarHBondContact O-N 3.45Å; M683-W686 PolarHBondContact O-N 3.02Å; M683-K687 VanDerWaalsContact O-CB 3.28Å; M683-K687 WeakPolarHBondContact O-CB 3.31Å; M683-K687 PolarHBondContact O-N 2.96Å; M683-E712 WeakPolarHBondContact CE-OE1 3.29Å |
| 684 | L | 86.2 | Confident | 80.9 | Confident | 111 Ų | 111 | 99.1 Ų | 99.1 | 58% | 0.581 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 175 | -76.1 | 168.3 | 0 | 0 | 0 | 112.2 | K680 L681 T682 K688 | K680-L684 WeakPolarHBondContact O-CB 3.43Å; K680-L684 VanDerWaalsContact O-CG 3.28Å; K680-L684 WeakPolarHBondContact O-CG 3.42Å; K680-L684 PolarHBondContact O-N 3.3Å; L681-L684 PolarHBondContact O-N 3.23Å; T682-L684 VanDerWaalsContact C-N 3.33Å; T682-L684 PolarHBondContact O-N 3.41Å; L684-K688 WeakPolarHBondContact O-CB 3.42Å; L684-K688 PolarHBondContact O-N 2.88Å |
| 685 | R | 78.8 | Confident | 80 | Confident | 172 Ų | 172 | 101.4 Ų | 101.4 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 174.1 | -73.8 | -177.1 | -133.9 | 163.3 | 4.8 | 111.7 | L681 T682 K688 W689 | L681-R685 WeakPolarHBondContact O-CG 3.45Å; L681-R685 PolarHBondContact O-N 3.06Å; T682-R685 PolarHBondContact O-N 3.48Å; R685-K688 PolarHBondContact O-N 3.44Å; R685-W689 WeakPolarHBondContact O-CB 3.29Å; R685-W689 PolarHBondContact O-N 3.2Å |
| 686 | W | 82.1 | Confident | 79.3 | Confident | 130 Ų | 130 | 102.2 Ų | 102.2 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 177.7 | 178.8 | 85 | 0 | 0 | 0 | 111.1 | T682 M683 K688 W689 Y690 | T682-W686 WeakPolarHBondContact O-CB 3.23Å; T682-W686 PolarHBondContact O-N 3.04Å; M683-W686 PolarHBondContact O-N 3.02Å; W686-K688 PolarHBondContact O-N 3.06Å; W686-W689 PolarHBondContact O-N 2.88Å; W686-Y690 HydrophobicContact CH2-CD2 4.3Å; W686-Y690 HydrophobicContact CH2-CG 4.38Å; W686-Y690 HydrophobicContact CZ2-CD2 4.27Å; W686-Y690 WeakPolarHBondContact O-CB 3.49Å; W686-Y690 PolarHBondContact O-N 3.09Å |
| 687 | K | 81.1 | Confident | 77.9 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 36% | 0.357 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 174.6 | 176.1 | 167.3 | -179 | 146 | 0 | 111.7 | M683 W689 Y690 D691 | M683-K687 VanDerWaalsContact O-CB 3.28Å; M683-K687 WeakPolarHBondContact O-CB 3.31Å; M683-K687 PolarHBondContact O-N 2.96Å; K687-W689 VanDerWaalsContact C-N 3.35Å; K687-W689 PolarHBondContact O-N 2.94Å; K687-Y690 WeakPolarHBondContact O-CB 3.39Å; K687-Y690 PolarHBondContact O-N 2.61Å; K687-D691 WeakPolarHBondContact O-CB 3.13Å; K687-D691 VanDerWaalsContact O-CG 3.26Å; K687-D691 PolarHBondContact O-N 2.9Å |
| 688 | K | 80.1 | Confident | 76.5 | Confident | 135 Ų | 135 | 100.9 Ų | 100.9 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 177 | -175.9 | -179.8 | -179.7 | -179.7 | 0 | 112 | L684 R685 W686 Y690 Q692 | L684-K688 WeakPolarHBondContact O-CB 3.42Å; L684-K688 PolarHBondContact O-N 2.88Å; R685-K688 PolarHBondContact O-N 3.44Å; W686-K688 PolarHBondContact O-N 3.06Å; K688-Y690 VanDerWaalsContact C-N 3.34Å; K688-Q692 VanDerWaalsContact O-CG 3.26Å; K688-Q692 WeakPolarHBondContact O-CG 3.37Å; K688-Q692 PolarHBondContact O-N 2.95Å; K688-Q692 VanDerWaalsContact O-N 3.1Å |
| 689 | W | 78.2 | Confident | 75.3 | Confident | 145 Ų | 145 | 100.3 Ų | 100.3 | 55% | 0.549 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175 | 175.3 | 88.9 | 0 | 0 | 0 | 111.1 | R685 W686 K687 Q692 N693 | R685-W689 WeakPolarHBondContact O-CB 3.29Å; R685-W689 PolarHBondContact O-N 3.2Å; W686-W689 PolarHBondContact O-N 2.88Å; K687-W689 VanDerWaalsContact C-N 3.35Å; K687-W689 PolarHBondContact O-N 2.94Å; W689-Q692 WeakPolarHBondContact O-CB 3.13Å; W689-Q692 PolarHBondContact O-N 2.79Å; W689-N693 PolarHBondContact NE1-ND2 3.01Å; W689-N693 PolarHBondContact O-N 3.39Å; W689-N693 PolarHBondContact O-ND2 3.11Å |
| 690 | Y | 76.9 | Confident | 73.9 | Confident | 30 Ų | 30 | 101.3 Ų | 101.3 | 12% | 0.118 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 178 | 176.9 | -94.1 | 0 | 0 | 0 | 111.8 | W686 K687 K688 Q692 N693 L694 L705 | W686-Y690 HydrophobicContact CH2-CD2 4.3Å; W686-Y690 HydrophobicContact CH2-CG 4.38Å; W686-Y690 HydrophobicContact CZ2-CD2 4.27Å; W686-Y690 WeakPolarHBondContact O-CB 3.49Å; W686-Y690 PolarHBondContact O-N 3.09Å; K687-Y690 WeakPolarHBondContact O-CB 3.39Å; K687-Y690 PolarHBondContact O-N 2.61Å; K688-Y690 VanDerWaalsContact C-N 3.34Å; Y690-Q692 PolarHBondContact O-N 2.7Å; Y690-N693 CarbonylContact O-C 3.56Å; Y690-N693 PolarHBondContact O-N 3.33Å; Y690-L694 HydrophobicContact CD1-CD1 4.1Å; Y690-L694 HydrophobicContact CE1-CD1 3.25Å; Y690-L694 HydrophobicContact CE2-CD1 4.32Å; Y690-L694 PolarHBondContact O-N 2.99Å; Y690-L694 VanDerWaalsContact OH-CD1 3.27Å; Y690-L694 WeakPolarHBondContact OH-CD1 3.47Å; Y690-L705 HydrophobicContact CE2-CD1 4.2Å; Y690-L705 WeakPolarHBondContact OH-CB 3.29Å; Y690-L705 WeakPolarHBondContact OH-CD1 3.38Å |
| 691 | D | 77.7 | Confident | 72.5 | Confident | 83 Ų | 83 | 101.1 Ų | 101.1 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.7 | -36.5 | 177.6 | -67.9 | -22.1 | 0 | 0 | 0 | 111.5 | K687 N693 | K687-D691 WeakPolarHBondContact O-CB 3.13Å; K687-D691 VanDerWaalsContact O-CG 3.26Å; K687-D691 PolarHBondContact O-N 2.9Å; D691-N693 VanDerWaalsContact C-N 3.34Å |
| 692 | Q | 75.4 | Confident | 71 | Confident | 127 Ų | 127 | 102 Ų | 102 | 59% | 0.593 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.2 | -30.1 | 174 | -73.7 | 175 | -17.2 | 0 | 0 | 113.3 | K688 W689 Y690 | K688-Q692 VanDerWaalsContact O-CG 3.26Å; K688-Q692 WeakPolarHBondContact O-CG 3.37Å; K688-Q692 PolarHBondContact O-N 2.95Å; K688-Q692 VanDerWaalsContact O-N 3.1Å; W689-Q692 WeakPolarHBondContact O-CB 3.13Å; W689-Q692 PolarHBondContact O-N 2.79Å; Y690-Q692 PolarHBondContact O-N 2.7Å |
| 693 | N | 72.7 | Confident | 69.6 | Low | 58 Ų | 58 | 108.1 Ų | 108.1 | 31% | 0.31 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -103.5 | 1.4 | -176.2 | -69.7 | -81 | 0 | 0 | 0 | 113.6 | W689 Y690 D691 Q695 C696 | W689-N693 PolarHBondContact NE1-ND2 3.01Å; W689-N693 PolarHBondContact O-N 3.39Å; W689-N693 PolarHBondContact O-ND2 3.11Å; Y690-N693 CarbonylContact O-C 3.56Å; Y690-N693 PolarHBondContact O-N 3.33Å; D691-N693 VanDerWaalsContact C-N 3.34Å; N693-Q695 PolarHBondContact O-N 3.43Å; N693-C696 WeakPolarHBondContact O-CB 3.33Å; N693-C696 PolarHBondContact O-N 2.77Å |
| 694 | L | 71.9 | Confident | 68.3 | Low | 57 Ų | 57 | 112.4 Ų | 112.4 | 30% | 0.298 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -56.3 | -27.7 | 178.9 | -160.3 | 82.5 | 0 | 0 | 0 | 112.5 | Y690 C696 S697 R702 | Y690-L694 HydrophobicContact CD1-CD1 4.1Å; Y690-L694 HydrophobicContact CE1-CD1 3.25Å; Y690-L694 HydrophobicContact CE2-CD1 4.32Å; Y690-L694 PolarHBondContact O-N 2.99Å; Y690-L694 VanDerWaalsContact OH-CD1 3.27Å; Y690-L694 WeakPolarHBondContact OH-CD1 3.47Å; L694-C696 VanDerWaalsContact C-N 3.25Å; L694-C696 PolarHBondContact O-N 3.17Å; L694-S697 PolarHBondContact O-N 3.15Å; L694-R702 PolarHBondContact O-NE 3.36Å; L694-R702 PolarHBondContact O-NH2 2.82Å |
| 695 | Q | 67 | Low | 66.7 | Low | 170 Ų | 170 | 110 Ų | 110 | 79% | 0.794 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -67.4 | -24.4 | 176.4 | -61.8 | -175.5 | 5.8 | 0 | 0 | 113.1 | N693 S697 | N693-Q695 PolarHBondContact O-N 3.43Å; Q695-S697 VanDerWaalsContact C-N 3.34Å |
| 696 | C | 66.6 | Low | 65.7 | Low | 109 Ų | 109 | 105 Ų | 105 | 74% | 0.736 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -85.3 | -5.4 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 113.5 | N693 L694 | N693-C696 WeakPolarHBondContact O-CB 3.33Å; N693-C696 PolarHBondContact O-N 2.77Å; L694-C696 VanDerWaalsContact C-N 3.25Å; L694-C696 PolarHBondContact O-N 3.17Å |
| 697 | S | 56.6 | Low | 64.3 | Low | 26 Ų | 26 | 101 Ų | 101 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -98.2 | 133.8 | -177.7 | 165.1 | 0 | 0 | 0 | 0 | 111.6 | L694 Q695 D701 R702 | L694-S697 PolarHBondContact O-N 3.15Å; Q695-S697 VanDerWaalsContact C-N 3.34Å; S697-D701 WeakPolarHBondContact OG-CB 3.46Å; S697-R702 PolarHBondContact O-NE 2.89Å |
| 698 | D | 55.8 | Low | 63 | Low | 134 Ų | 134 | 99.8 Ų | 99.8 | 72% | 0.717 | 50% | 0.503 | S | S | * | . | trans | -61.9 | 152.4 | 176.9 | -103.8 | -28.5 | 0 | 0 | 0 | 112.4 | F700 D701 | D698-F700 PolarHBondContact O-N 3.24Å; D698-D701 PolarHBondContact O-N 2.82Å; D698-D701 VanDerWaalsContact O-N 3.08Å | ||
| 699 | S | 57.9 | Low | 61.7 | Low | 95 Ų | 95 | 97 Ų | 97 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -55.8 | -26.9 | -173 | 71.6 | 0 | 0 | 0 | 0 | 115 | ||
| 700 | F | 54.3 | Low | 60.4 | Low | 148 Ų | 148 | 96.5 Ų | 96.5 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.1 | -38.1 | -179.5 | -164.7 | -98.5 | 0 | 0 | 0 | 112.6 | D698 | D698-F700 PolarHBondContact O-N 3.24Å |
| 701 | D | 54.2 | Low | 59.1 | Low | 85 Ų | 85 | 100.2 Ų | 100.2 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 177.5 | -85.3 | -23.8 | 0 | 0 | 0 | 111.4 | S697 D698 R703 K704 L705 | S697-D701 WeakPolarHBondContact OG-CB 3.46Å; D698-D701 PolarHBondContact O-N 2.82Å; D698-D701 VanDerWaalsContact O-N 3.08Å; D701-R703 VanDerWaalsContact C-N 3.27Å; D701-R703 PolarHBondContact O-N 2.9Å; D701-K704 PolarHBondContact O-N 3.45Å; D701-L705 HydrophobicContact CB-CD1 4.07Å; D701-L705 WeakPolarHBondContact O-CB 3.45Å; D701-L705 VanDerWaalsContact O-CD1 3.23Å; D701-L705 WeakPolarHBondContact O-CD1 3.49Å; D701-L705 VanDerWaalsContact O-CG 3.26Å; D701-L705 WeakPolarHBondContact O-CG 2.9Å; D701-L705 PolarHBondContact O-N 3.33Å; D701-L705 VanDerWaalsContact O-N 3.13Å |
| 702 | R | 54.1 | Low | 57.8 | Low | 113 Ų | 113 | 100.2 Ų | 100.2 | 43% | 0.426 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -55.6 | -37.7 | 179.5 | -66.6 | -174.2 | -176.3 | -179.5 | 3.7 | 113.6 | L694 S697 S706 | L694-R702 PolarHBondContact O-NE 3.36Å; L694-R702 PolarHBondContact O-NH2 2.82Å; S697-R702 PolarHBondContact O-NE 2.89Å; R702-S706 PolarHBondContact O-N 3.13Å; R702-S706 VanDerWaalsContact O-N 3.14Å |
| 703 | R | 52.2 | Low | 56.5 | Low | 208 Ų | 208 | 103 Ų | 103 | 79% | 0.785 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -76 | -41.5 | -177.1 | -71.1 | -174 | -173.9 | 175.8 | 3 | 113.4 | D701 L705 A707 | D701-R703 VanDerWaalsContact C-N 3.27Å; D701-R703 PolarHBondContact O-N 2.9Å; R703-L705 VanDerWaalsContact C-N 3.25Å; R703-L705 PolarHBondContact O-N 3.36Å; R703-A707 PolarHBondContact O-N 3.25Å |
| 704 | K | 54.1 | Low | 55.3 | Low | 143 Ų | 143 | 107.5 Ų | 107.5 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -34.4 | 175.2 | -80.6 | -173 | 176.5 | -178.5 | 0 | 111.3 | D701 A708 | D701-K704 PolarHBondContact O-N 3.45Å; K704-A708 PolarHBondContact O-N 3.34Å |
| 705 | L | 53.7 | Low | 54.3 | Low | 61 Ų | 61 | 109.5 Ų | 109.5 | 32% | 0.319 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -77.6 | -33.1 | -176.8 | -69.5 | 160.3 | 0 | 0 | 0 | 112.9 | Y690 D701 R703 A707 A708 Q709 | Y690-L705 HydrophobicContact CE2-CD1 4.2Å; Y690-L705 WeakPolarHBondContact OH-CB 3.29Å; Y690-L705 WeakPolarHBondContact OH-CD1 3.38Å; D701-L705 HydrophobicContact CB-CD1 4.07Å; D701-L705 WeakPolarHBondContact O-CB 3.45Å; D701-L705 VanDerWaalsContact O-CD1 3.23Å; D701-L705 WeakPolarHBondContact O-CD1 3.49Å; D701-L705 VanDerWaalsContact O-CG 3.26Å; D701-L705 WeakPolarHBondContact O-CG 2.9Å; D701-L705 PolarHBondContact O-N 3.33Å; D701-L705 VanDerWaalsContact O-N 3.13Å; R703-L705 VanDerWaalsContact C-N 3.25Å; R703-L705 PolarHBondContact O-N 3.36Å; L705-A707 VanDerWaalsContact C-N 3.31Å; L705-A707 PolarHBondContact O-N 2.92Å; L705-A708 PolarHBondContact O-N 3.33Å; L705-Q709 PolarHBondContact O-N 3.3Å |
| 706 | S | 55.9 | Low | 53 | Low | 66 Ų | 66 | 107 Ų | 107 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 172.5 | 98.2 | 0 | 0 | 0 | 0 | 111.8 | R702 A708 Q709 E710 | R702-S706 PolarHBondContact O-N 3.13Å; R702-S706 VanDerWaalsContact O-N 3.14Å; S706-A708 VanDerWaalsContact C-N 3.34Å; S706-Q709 PolarHBondContact O-N 3.49Å; S706-E710 PolarHBondContact O-N 2.74Å |
| 707 | A | 53 | Low | 51.7 | Low | 47 Ų | 47 | 112.3 Ų | 112.3 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R703 L705 N711 | R703-A707 PolarHBondContact O-N 3.25Å; L705-A707 VanDerWaalsContact C-N 3.31Å; L705-A707 PolarHBondContact O-N 2.92Å; A707-N711 PolarHBondContact O-N 3.1Å |
| 708 | A | 54.2 | Low | 51 | Low | 56 Ų | 56 | 118.8 Ų | 118.8 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.1 | -40.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K704 L705 S706 N711 E712 | K704-A708 PolarHBondContact O-N 3.34Å; L705-A708 PolarHBondContact O-N 3.33Å; S706-A708 VanDerWaalsContact C-N 3.34Å; A708-N711 PolarHBondContact O-N 2.83Å; A708-E712 PolarHBondContact O-N 3.06Å |
| 709 | Q | 52.7 | Low | 50.2 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 36% | 0.355 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 176.8 | -78.7 | -177.5 | -23 | 0 | 0 | 113.5 | L705 S706 N711 E712 Y713 | L705-Q709 PolarHBondContact O-N 3.3Å; S706-Q709 PolarHBondContact O-N 3.49Å; Q709-N711 VanDerWaalsContact C-N 3.3Å; Q709-N711 PolarHBondContact O-N 3.25Å; Q709-E712 PolarHBondContact O-N 2.8Å; Q709-Y713 PolarHBondContact O-N 2.96Å |
| 710 | E | 51.2 | Low | 48.9 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.8 | -35.7 | 176 | -86.2 | -169.9 | 162.1 | 0 | 0 | 112.6 | S706 | S706-E710 PolarHBondContact O-N 2.74Å |
| 711 | N | 50.4 | Low | 48.2 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 58% | 0.578 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.7 | -33.2 | 176.8 | -75.1 | -23.2 | 0 | 0 | 0 | 112.1 | A707 A708 Q709 K714 S715 | A707-N711 PolarHBondContact O-N 3.1Å; A708-N711 PolarHBondContact O-N 2.83Å; Q709-N711 VanDerWaalsContact C-N 3.3Å; Q709-N711 PolarHBondContact O-N 3.25Å; N711-K714 PolarHBondContact O-N 3.22Å; N711-S715 PolarHBondContact O-N 2.98Å |
| 712 | E | 50.5 | Low | 47.1 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 39% | 0.393 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.3 | -36.3 | 179.6 | -154.2 | 179.9 | -173.2 | 0 | 0 | 112.5 | M683 A708 Q709 K714 S715 N716 | M683-E712 WeakPolarHBondContact CE-OE1 3.29Å; A708-E712 PolarHBondContact O-N 3.06Å; Q709-E712 PolarHBondContact O-N 2.8Å; E712-K714 PolarHBondContact O-N 3.39Å; E712-S715 PolarHBondContact O-N 3.46Å; E712-S715 VanDerWaalsContact O-N 3.11Å; E712-N716 PolarHBondContact O-N 3.48Å |
| 713 | Y | 47.4 | Very low | 46.2 | Very low | 185 Ų | 185 | 127.6 Ų | 127.6 | 73% | 0.725 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -60.6 | -30.9 | 172 | -103.7 | -83.7 | 0 | 0 | 0 | 112.6 | Q709 | Q709-Y713 PolarHBondContact O-N 2.96Å |
| 714 | K | 48 | Very low | 45.9 | Very low | 153 Ų | 153 | 123.6 Ų | 123.6 | 67% | 0.665 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.6 | -32.4 | 175.1 | -70.9 | 177.9 | -178.2 | 171.2 | 0 | 112.6 | N711 E712 | N711-K714 PolarHBondContact O-N 3.22Å; E712-K714 PolarHBondContact O-N 3.39Å |
| 715 | S | 49.8 | Very low | 45.5 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 69% | 0.685 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.5 | -23.1 | -178.5 | -167.1 | 0 | 0 | 0 | 0 | 114 | N711 E712 R717 | N711-S715 PolarHBondContact O-N 2.98Å; E712-S715 PolarHBondContact O-N 3.46Å; E712-S715 VanDerWaalsContact O-N 3.11Å; S715-R717 VanDerWaalsContact C-N 3.31Å; S715-R717 PolarHBondContact O-N 3.14Å |
| 716 | N | 39.7 | Very low | 45 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 12.6 | -178.8 | -85.4 | -26.4 | 0 | 0 | 0 | 114.8 | E712 L718 | E712-N716 PolarHBondContact O-N 3.48Å; N716-L718 PolarHBondContact O-N 2.93Å |
| 717 | R | 39.5 | Very low | 44.4 | Very low | 219 Ų | 219 | 129.5 Ų | 129.5 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | -71.7 | 94.8 | 165.6 | -81.3 | -172.2 | 175.9 | -172.7 | -1 | 109 | S715 V719 | S715-R717 VanDerWaalsContact C-N 3.31Å; S715-R717 PolarHBondContact O-N 3.14Å; R717-V719 PolarHBondContact O-N 3.27Å; R717-V719 VanDerWaalsContact O-N 3.15Å | ||
| 718 | L | 41.8 | Very low | 43.8 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | trans | -47.1 | 118.3 | 165.3 | -78.8 | 153.8 | 0 | 0 | 0 | 109.2 | N716 E720 | N716-L718 PolarHBondContact O-N 2.93Å; L718-E720 PolarHBondContact O-N 3.18Å | ||
| 719 | V | 39.1 | Very low | 43.1 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -65.4 | 110.8 | 158.9 | 175.7 | 0 | 0 | 0 | 0 | 105.2 | R717 V721 | R717-V719 PolarHBondContact O-N 3.27Å; R717-V719 VanDerWaalsContact O-N 3.15Å; V719-V721 PolarHBondContact O-N 3.05Å | ||
| 720 | E | 32 | Very low | 42.5 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -55.8 | 103.9 | 164 | -95.2 | -174.6 | 158.8 | 0 | 0 | 107.5 | L718 K722 | L718-E720 PolarHBondContact O-N 3.18Å; E720-K722 VanDerWaalsContact C-N 3.32Å; E720-K722 PolarHBondContact O-N 3.07Å | ||
| 721 | V | 37.7 | Very low | 41.8 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -73.8 | 96.4 | 165.6 | -176.2 | 0 | 0 | 0 | 0 | 105.4 | V719 G723 | V719-V721 PolarHBondContact O-N 3.05Å; V721-G723 PolarHBondContact O-N 2.69Å | ||
| 722 | K | 32.7 | Very low | 41.1 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -61.6 | 120.3 | 163.9 | -77.8 | -174.4 | 175.5 | -179.6 | 0 | 107 | E720 | E720-K722 VanDerWaalsContact C-N 3.32Å; E720-K722 PolarHBondContact O-N 3.07Å | ||
| 723 | G | 34.7 | Very low | 40.2 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 100% | 1.536 | 83% | 0.825 | S | S | * | * | trans | -59 | 0 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | V721 | V721-G723 PolarHBondContact O-N 2.69Š|
Retrieved 723 of 723 residues in 623.6 ms
(Link to these results)