| 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 | 38.9 | Very low | 75.4 | Confident | 243 Ų | 243 | 62.7 Ų | 62.7 | 100% | 1.197 | 34% | 0.338 | S | S | * | . | 0 | 11 | 0 | -83.3 | -174.9 | 155.3 | 0 | 0 | 113.6 | |||||
| 2 | S | 49.2 | Very low | 76.7 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | trans | -94.3 | 1.4 | -177.8 | 51.5 | 0 | 0 | 0 | 0 | 115.5 | L4 | S2-L4 PolarHBondContact O-N 2.93Š| ||
| 3 | S | 60.8 | Low | 77.8 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.2 | -164.9 | 61.6 | 0 | 0 | 0 | 0 | 116.1 | R6 E8 | S3-R6 CarbonylContact C-O 3.49Å; S3-E8 WeakPolarHBondContact CB-OE1 3.21Å |
| 4 | L | 74.3 | Confident | 78.7 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -31.4 | 178.8 | -164 | 77.4 | 0 | 0 | 0 | 112.2 | S2 R6 I373 T379 N398 P401 I404 | S2-L4 PolarHBondContact O-N 2.93Å; L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 3.2Å; L4-I373 HydrophobicContact CD1-CG2 4.15Å; L4-T379 HydrophobicContact CD1-CG2 4.32Å; L4-T379 HydrophobicContact CD2-CG2 4.21Å; L4-N398 VanDerWaalsContact O-CB 3.3Å; L4-N398 WeakPolarHBondContact O-CB 3.4Å; L4-N398 PolarHBondContact O-ND2 2.97Å; L4-N398 VanDerWaalsContact O-ND2 3.07Å; L4-P401 HydrophobicContact CD2-CB 4.34Å; L4-P401 HydrophobicContact CD2-CG 3.94Å; L4-P401 HydrophobicContact CG-CG 4Å; L4-I404 HydrophobicContact CD2-CD1 4.49Å |
| 5 | L | 83.5 | Confident | 79.4 | Confident | 85 Ų | 85 | 48.9 Ų | 48.9 | 45% | 0.445 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -30.7 | -177.3 | -165.2 | 97.6 | 0 | 0 | 0 | 111.8 | V397 N398 | L5-V397 WeakPolarHBondContact O-CA 3.28Å; L5-N398 PolarHBondContact O-N 3.12Å |
| 6 | R | 85.3 | Confident | 80 | Confident | 37 Ų | 37 | 48.9 Ų | 48.9 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -148.1 | 157.1 | -177.4 | -65.3 | -174.2 | 173.4 | 172.9 | -9.4 | 110.4 | S3 L4 E396 V397 Y566 Y570 | S3-R6 CarbonylContact C-O 3.49Å; L4-R6 VanDerWaalsContact C-N 3.3Å; L4-R6 PolarHBondContact O-N 3.2Å; R6-E396 WeakPolarHBondContact CA-O 3.37Å; R6-V397 HydrophobicContact CG-CG2 4.48Å; R6-Y566 PolarHBondContact NH2-O 3.05Å; R6-Y570 VanDerWaalsContact NH1-CB 3.34Å; R6-Y570 VanDerWaalsContact NH1-CD1 3.34Å |
| 7 | G | 84.1 | Confident | 80.5 | Confident | 12 Ų | 12 | 46 Ų | 46 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 147.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L372 | G7-L372 WeakPolarHBondContact CA-O 3.38Š|
| 8 | E | 87.2 | Confident | 80.8 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 158.6 | -179.3 | -61.5 | -155.3 | 147.5 | 0 | 0 | 113.1 | S3 M10 L372 R374 Y394 | S3-E8 WeakPolarHBondContact CB-OE1 3.21Å; E8-M10 PolarHBondContact O-N 3.1Å; E8-L372 PolarHBondContact N-O 2.72Å; E8-R374 WeakPolarHBondContact OE1-CD 3.46Å; E8-R374 WeakPolarHBondContact OE1-CG 3.32Å; E8-R374 IonicContact OE1-CZ 3.56Å; E8-R374 IonicContact OE1-NE 3.47Å; E8-R374 PolarHBondContact OE1-NE 3.49Å; E8-R374 IonicContact OE1-NH2 2.8Å; E8-R374 IonicContact OE2-CZ 2.63Å; E8-R374 IonicContact OE2-NE 3.82Å; E8-R374 PolarHBondContact OE2-NE 3.4Å; E8-R374 IonicContact OE2-NH2 3.21Å; E8-R374 PolarHBondContact OE2-NH2 3.27Å; E8-Y394 VanDerWaalsContact O-CE2 3.27Å; E8-Y394 WeakPolarHBondContact O-CE2 3.35Å; E8-Y394 PolarHBondContact O-OH 3.07Å |
| 9 | E | 87.8 | Confident | 80.8 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 123.8 | 173.3 | -64.3 | -162.2 | 158.1 | 0 | 0 | 110.4 | P334 V335 Y394 R395 | E9-P334 WeakPolarHBondContact O-CA 3.34Å; E9-V335 HydrophobicContact CB-CB 4.43Å; E9-V335 HydrophobicContact CB-CG2 4.02Å; E9-V335 PolarHBondContact O-N 2.99Å; E9-Y394 VanDerWaalsContact CA-OH 3.25Å; E9-Y394 WeakPolarHBondContact CA-OH 3.41Å; E9-R395 IonicContact OE1-NH1 3.29Å; E9-R395 PolarHBondContact OE1-NH1 3.09Å |
| 10 | M | 89.7 | Confident | 80.8 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 149.1 | -176.9 | -72.5 | -57.2 | -163.9 | 0 | 0 | 109 | E8 W332 P334 P369 P370 L372 Y394 F832 | E8-M10 PolarHBondContact O-N 3.1Å; M10-W332 HydrophobicContact CB-CE3 4.39Å; M10-P334 HydrophobicContact CE-CG 4.21Å; M10-P334 HydrophobicContact SD-CB 4.22Å; M10-P334 HydrophobicContact SD-CG 3.87Å; M10-P369 HydrophobicContact CB-CB 3.75Å; M10-P369 HydrophobicContact CB-CG 4.36Å; M10-P369 HydrophobicContact CG-CB 4.35Å; M10-P370 WeakPolarHBondContact CG-O 3.42Å; M10-L372 HydrophobicContact CE-CB 3.2Å; M10-L372 HydrophobicContact CE-CD2 4.03Å; M10-L372 HydrophobicContact CE-CG 4.26Å; M10-Y394 HydrophobicContact CB-CE2 4.02Å; M10-Y394 HydrophobicContact CG-CE2 3.96Å; M10-Y394 PolarHBondContact N-OH 3.34Å; M10-F832 HydrophobicContact CE-CB 4.16Å; M10-F832 HydrophobicContact CE-CD1 4.23Å; M10-F832 HydrophobicContact CE-CD2 3.58Å; M10-F832 HydrophobicContact CE-CE2 3.93Å; M10-F832 HydrophobicContact CE-CG 3.72Å; M10-F832 HydrophobicContact CE-CZ 4.37Å |
| 11 | C | 88.6 | Confident | 81 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 107.9 | C333 V335 I338 R362 | C11-C333 PolarHBondContact N-O 2.59Å; C11-C333 PolarHBondContact O-N 3.4Å; C11-V335 HydrophobicContact CB-CG2 3.95Å; C11-I338 HydrophobicContact CB-CD1 4.26Å; C11-R362 WeakPolarHBondContact SG-CD 3.21Å; C11-R362 WeakPolarHBondContact SG-CG 3.47Å; C11-R362 PolarHBondContact SG-NE 3.14Å |
| 12 | L | 91.6 | Very high | 83.2 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.7 | 161.9 | -166.6 | 75.1 | 0 | 0 | 0 | 107.9 | E330 W332 I363 T365 | L12-E330 HydrophobicContact CD1-CB 4.34Å; L12-E330 HydrophobicContact CD2-CG 4.32Å; L12-W332 HydrophobicContact CB-CE3 4.1Å; L12-W332 HydrophobicContact CB-CH2 4.04Å; L12-W332 HydrophobicContact CB-CZ3 3.72Å; L12-W332 HydrophobicContact CD1-CD2 3.82Å; L12-W332 HydrophobicContact CD1-CE3 4.07Å; L12-W332 HydrophobicContact CD1-CG 4.35Å; L12-W332 HydrophobicContact CD1-CH2 4.24Å; L12-W332 HydrophobicContact CD1-CZ2 4.01Å; L12-W332 HydrophobicContact CD1-CZ3 4.25Å; L12-I363 HydrophobicContact CD2-CB 4.48Å; L12-I363 PolarHBondContact O-N 3.28Å; L12-T365 HydrophobicContact CB-CG2 3.84Å; L12-T365 HydrophobicContact CD2-CG2 3.33Å; L12-T365 HydrophobicContact CG-CG2 4.18Å |
| 13 | A | 90 | Very high | 85.1 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.9 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | V331 V360 N361 | A13-V331 HydrophobicContact CB-CG2 3.99Å; A13-V331 PolarHBondContact N-O 3.26Å; A13-V331 WeakPolarHBondContact O-CG2 3.42Å; A13-V331 PolarHBondContact O-N 3.06Å; A13-V360 HydrophobicContact CB-CG1 3.7Å; A13-N361 CarbonylContact C-O 3.47Å; A13-N361 VanDerWaalsContact CA-O 3.23Å; A13-N361 WeakPolarHBondContact CA-O 3.32Å |
| 14 | Q | 90.9 | Very high | 86.3 | Confident | 38 Ų | 38 | 31.1 Ų | 31.1 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.7 | 174.5 | -165.5 | 176.6 | 33.8 | 0 | 0 | 108.9 | F16 I328 A329 V360 N361 I363 | Q14-F16 HydrophobicContact CB-CE2 4.39Å; Q14-F16 HydrophobicContact CG-CE2 3.97Å; Q14-F16 HydrophobicContact CG-CZ 4.09Å; Q14-I328 HydrophobicContact CG-CG2 3.72Å; Q14-A329 CarbonylContact C-O 3.59Å; Q14-A329 WeakPolarHBondContact CA-O 3.3Å; Q14-V360 WeakPolarHBondContact O-CA 3.42Å; Q14-N361 PolarHBondContact N-O 3.44Å; Q14-N361 PolarHBondContact O-N 3.01Å; Q14-I363 HydrophobicContact CB-CD1 3.66Å; Q14-I363 HydrophobicContact CB-CG1 4.17Å; Q14-I363 HydrophobicContact CG-CD1 4.19Å |
| 15 | L | 89.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.3 | 178 | -55.2 | -178.5 | 0 | 0 | 0 | 109.1 | L17 L29 F37 I328 A329 V331 L341 L345 V360 | L15-L17 HydrophobicContact CB-CG 4.44Å; L15-L29 HydrophobicContact CD1-CD1 4.06Å; L15-F37 HydrophobicContact CD1-CE1 4.41Å; L15-I328 WeakPolarHBondContact O-CA 3.49Å; L15-A329 HydrophobicContact CB-CB 4.22Å; L15-A329 PolarHBondContact N-O 2.99Å; L15-A329 PolarHBondContact O-N 3.29Å; L15-V331 HydrophobicContact CD1-CB 4.49Å; L15-V331 HydrophobicContact CD1-CG1 3.69Å; L15-V331 HydrophobicContact CD1-CG2 3.93Å; L15-V331 HydrophobicContact CD2-CG2 4.24Å; L15-V331 HydrophobicContact CG-CG1 4.25Å; L15-V331 HydrophobicContact CG-CG2 3.89Å; L15-L341 HydrophobicContact CD2-CD2 4.28Å; L15-L345 HydrophobicContact CD2-CD1 3.83Å; L15-V360 HydrophobicContact CD2-CB 4.12Å; L15-V360 HydrophobicContact CD2-CG1 4.02Å; L15-V360 HydrophobicContact CD2-CG2 3.37Å |
| 16 | F | 88.5 | Confident | 87.2 | Confident | 48 Ų | 48 | 25 Ų | 25 | 21% | 0.211 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.7 | 169.2 | -66.6 | -88 | 0 | 0 | 0 | 108.6 | Q14 I328 S358 F359 N361 | Q14-F16 HydrophobicContact CB-CE2 4.39Å; Q14-F16 HydrophobicContact CG-CE2 3.97Å; Q14-F16 HydrophobicContact CG-CZ 4.09Å; F16-I328 HydrophobicContact CD1-CD1 4.48Å; F16-I328 HydrophobicContact CD1-CG1 3.97Å; F16-I328 HydrophobicContact CE1-CD1 3.94Å; F16-I328 HydrophobicContact CE1-CG1 3.88Å; F16-S358 WeakPolarHBondContact O-CA 3.38Å; F16-S358 WeakPolarHBondContact O-CB 3.24Å; F16-F359 HydrophobicContact CB-CD1 4.37Å; F16-F359 HydrophobicContact CB-CE1 4Å; F16-F359 HydrophobicContact CB-CE2 4.26Å; F16-F359 HydrophobicContact CB-CZ 3.93Å; F16-F359 AromaticContact CD2-CD2 3.94Å; F16-F359 HydrophobicContact CD2-CD2 3.94Å; F16-F359 AromaticContact CD2-CE2 3.35Å; F16-F359 HydrophobicContact CD2-CE2 3.35Å; F16-F359 AromaticContact CD2-CZ 3.71Å; F16-F359 HydrophobicContact CD2-CZ 3.71Å; F16-F359 AromaticContact CE2-CE2 3.89Å; F16-F359 HydrophobicContact CE2-CE2 3.89Å; F16-F359 HydrophobicContact CE2-CZ 4.38Å; F16-F359 HydrophobicContact CG-CE1 4.37Å; F16-F359 AromaticContact CG-CE2 3.94Å; F16-F359 HydrophobicContact CG-CE2 3.94Å; F16-F359 AromaticContact CG-CZ 3.8Å; F16-F359 HydrophobicContact CG-CZ 3.8Å; F16-F359 PolarHBondContact N-O 3.28Å; F16-F359 VanDerWaalsContact N-O 3.11Å; F16-N361 HydrophobicContact CE2-CB 4.48Å |
| 17 | L | 87.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.7 | -177 | -61.3 | 172.8 | 0 | 0 | 0 | 109.6 | L15 A22 C25 I26 C326 L327 L345 | L15-L17 HydrophobicContact CB-CG 4.44Å; L17-A22 HydrophobicContact CB-CB 4.12Å; L17-C25 HydrophobicContact CD2-CB 3.78Å; L17-I26 HydrophobicContact CD1-CD1 4.2Å; L17-I26 HydrophobicContact CD1-CG1 4.17Å; L17-C326 CarbonylContact O-C 3.57Å; L17-C326 WeakPolarHBondContact O-CA 3.34Å; L17-L327 HydrophobicContact CB-CB 4.16Å; L17-L327 PolarHBondContact N-O 3.39Å; L17-L327 PolarHBondContact O-N 2.92Å; L17-L345 HydrophobicContact CD2-CD2 3.74Å |
| 18 | Q | 86.8 | Confident | 87.5 | Confident | 64 Ų | 64 | 24.8 Ų | 24.8 | 30% | 0.299 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 139.8 | 171.7 | -170.3 | 176.5 | 7.6 | 0 | 0 | 109.8 | G20 S21 A22 | Q18-G20 PolarHBondContact O-N 3.37Å; Q18-S21 PolarHBondContact O-N 3.35Å; Q18-S21 PolarHBondContact O-OG 3.33Å; Q18-A22 WeakPolarHBondContact O-CB 3.47Å; Q18-A22 PolarHBondContact O-N 3.14Å |
| 19 | S | 80.3 | Confident | 87.4 | Confident | 70 Ų | 70 | 24.3 Ų | 24.3 | 49% | 0.49 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.9 | -175.2 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 20 | G | 80.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 19.4 Ų | 19.4 | 56% | 0.557 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -33.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q18 S352 | Q18-G20 PolarHBondContact O-N 3.37Å; G20-S352 PolarHBondContact O-OG 3.37Å |
| 21 | S | 85.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -5.9 | -177.2 | 67.1 | 0 | 0 | 0 | 0 | 113.7 | Q18 Y23 D24 C25 S352 | Q18-S21 PolarHBondContact O-N 3.35Å; Q18-S21 PolarHBondContact O-OG 3.33Å; S21-Y23 VanDerWaalsContact C-N 3.31Å; S21-Y23 PolarHBondContact O-N 2.98Å; S21-D24 PolarHBondContact O-N 3.42Å; S21-C25 WeakPolarHBondContact O-CB 3.46Å; S21-C25 PolarHBondContact O-N 2.94Å; S21-C25 PolarHBondContact O-SG 3.24Å; S21-S352 WeakPolarHBondContact CA-OG 3.35Å |
| 22 | A | 85.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.5 | -40.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L17 Q18 C25 I26 L315 L327 | L17-A22 HydrophobicContact CB-CB 4.12Å; Q18-A22 WeakPolarHBondContact O-CB 3.47Å; Q18-A22 PolarHBondContact O-N 3.14Å; A22-C25 PolarHBondContact O-N 3.04Å; A22-I26 WeakPolarHBondContact O-CB 3.08Å; A22-I26 VanDerWaalsContact O-CG1 3.3Å; A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 3.17Å; A22-L315 HydrophobicContact CB-CD2 4Å; A22-L327 HydrophobicContact CB-CD1 3.55Å |
| 23 | Y | 88.2 | Confident | 86.4 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -49.9 | 178.1 | -172.4 | -86.9 | 0 | 0 | 0 | 111.7 | S21 C25 I26 S27 P89 I311 Y312 L315 | S21-Y23 VanDerWaalsContact C-N 3.31Å; S21-Y23 PolarHBondContact O-N 2.98Å; Y23-C25 PolarHBondContact O-N 3.11Å; Y23-I26 PolarHBondContact O-N 2.92Å; Y23-S27 WeakPolarHBondContact O-CB 3.32Å; Y23-S27 PolarHBondContact O-N 3.27Å; Y23-P89 VanDerWaalsContact CE1-O 3.31Å; Y23-P89 WeakPolarHBondContact CE1-O 3.4Å; Y23-P89 PolarHBondContact OH-O 3.24Å; Y23-I311 HydrophobicContact CD2-CG2 3.6Å; Y23-I311 HydrophobicContact CE1-CD1 4.21Å; Y23-I311 HydrophobicContact CE2-CB 4.18Å; Y23-I311 HydrophobicContact CE2-CD1 4.21Å; Y23-I311 HydrophobicContact CE2-CG2 3.63Å; Y23-I311 HydrophobicContact CG-CG2 4.28Å; Y23-Y312 HydrophobicContact CD2-CE1 4.06Å; Y23-Y312 HydrophobicContact CE2-CE1 4.05Å; Y23-Y312 HydrophobicContact CE2-CE2 4.11Å; Y23-Y312 AromaticContact CE2-CZ 3.75Å; Y23-L315 HydrophobicContact CD2-CD1 4.4Å |
| 24 | D | 87.3 | Confident | 86.1 | Confident | 39 Ų | 39 | 28.8 Ų | 28.8 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | -179.6 | -60 | -37.5 | 0 | 0 | 0 | 111.3 | S21 S27 E28 S352 | S21-D24 PolarHBondContact O-N 3.42Å; D24-S27 WeakPolarHBondContact O-CB 2.89Å; D24-S27 PolarHBondContact O-N 3.32Å; D24-E28 PolarHBondContact O-N 3.45Å; D24-S352 WeakPolarHBondContact OD2-CB 3.21Å; D24-S352 PolarHBondContact OD2-OG 3.23Å |
| 25 | C | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 175.4 | -67.7 | 0 | 0 | 0 | 0 | 111.3 | L17 S21 A22 Y23 S27 E28 L29 L345 | L17-C25 HydrophobicContact CD2-CB 3.78Å; S21-C25 WeakPolarHBondContact O-CB 3.46Å; S21-C25 PolarHBondContact O-N 2.94Å; S21-C25 PolarHBondContact O-SG 3.24Å; A22-C25 PolarHBondContact O-N 3.04Å; Y23-C25 PolarHBondContact O-N 3.11Å; C25-S27 VanDerWaalsContact C-N 3.29Å; C25-S27 PolarHBondContact O-N 3.42Å; C25-E28 PolarHBondContact O-N 3.23Å; C25-L29 VanDerWaalsContact O-CG 3.25Å; C25-L29 WeakPolarHBondContact O-CG 3.41Å; C25-L29 PolarHBondContact O-N 3.02Å; C25-L345 HydrophobicContact CB-CD2 4.05Å |
| 26 | I | 88.9 | Confident | 86 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.9 | -33 | 179.8 | -67.5 | 166.1 | 0 | 0 | 0 | 111.2 | L17 A22 Y23 L29 G30 I311 I314 L315 F835 | L17-I26 HydrophobicContact CD1-CD1 4.2Å; L17-I26 HydrophobicContact CD1-CG1 4.17Å; A22-I26 WeakPolarHBondContact O-CB 3.08Å; A22-I26 VanDerWaalsContact O-CG1 3.3Å; A22-I26 WeakPolarHBondContact O-CG1 3.39Å; A22-I26 PolarHBondContact O-N 3.17Å; Y23-I26 PolarHBondContact O-N 2.92Å; I26-L29 PolarHBondContact O-N 2.86Å; I26-G30 PolarHBondContact O-N 2.92Å; I26-I311 HydrophobicContact CB-CG2 4.2Å; I26-I311 HydrophobicContact CG2-CB 4.35Å; I26-I311 HydrophobicContact CG2-CG1 4.27Å; I26-I311 HydrophobicContact CG2-CG2 3.9Å; I26-I314 HydrophobicContact CD1-CG2 4.2Å; I26-I314 HydrophobicContact CG2-CB 4.24Å; I26-I314 HydrophobicContact CG2-CG2 4.03Å; I26-L315 HydrophobicContact CD1-CD2 3.29Å; I26-L315 HydrophobicContact CD1-CG 3.55Å; I26-F835 HydrophobicContact CG2-CE1 3.79Å; I26-F835 HydrophobicContact CG2-CZ 4.24Å |
| 27 | S | 88.6 | Confident | 86.1 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 5% | 0.049 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.9 | -50.2 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | Y23 D24 C25 L29 G30 E31 A88 F837 | Y23-S27 WeakPolarHBondContact O-CB 3.32Å; Y23-S27 PolarHBondContact O-N 3.27Å; D24-S27 WeakPolarHBondContact O-CB 2.89Å; D24-S27 PolarHBondContact O-N 3.32Å; C25-S27 VanDerWaalsContact C-N 3.29Å; C25-S27 PolarHBondContact O-N 3.42Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3Å; S27-G30 PolarHBondContact O-N 2.78Å; S27-E31 PolarHBondContact O-N 3.32Å; S27-A88 VanDerWaalsContact OG-CB 3.31Å; S27-A88 WeakPolarHBondContact OG-CB 3.4Å; S27-F837 WeakPolarHBondContact O-CE2 3.13Å |
| 28 | E | 86.3 | Confident | 86.2 | Confident | 37 Ų | 37 | 32.4 Ų | 32.4 | 17% | 0.173 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.7 | -65.7 | -56.7 | 132.9 | 0 | 0 | 112.2 | D24 C25 G30 E31 M32 A344 K351 | D24-E28 PolarHBondContact O-N 3.45Å; C25-E28 PolarHBondContact O-N 3.23Å; E28-G30 VanDerWaalsContact C-N 3.32Å; E28-G30 PolarHBondContact O-N 2.93Å; E28-E31 PolarHBondContact O-N 3.12Å; E28-M32 WeakPolarHBondContact O-CG 3.39Å; E28-M32 PolarHBondContact O-N 3.07Å; E28-M32 VanDerWaalsContact O-N 3.13Å; E28-A344 HydrophobicContact CB-CB 4.47Å; E28-K351 VanDerWaalsContact CD-NZ 3.34Å; E28-K351 IonicContact OE1-NZ 3.66Å; E28-K351 PolarHBondContact OE1-NZ 2.57Å; E28-K351 IonicContact OE2-NZ 3.49Å |
| 29 | L | 86.9 | Confident | 86.3 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 174.8 | -66.8 | 176.9 | 0 | 0 | 0 | 112 | L15 C25 I26 S27 M32 G33 V35 F37 L341 A344 L345 | L15-L29 HydrophobicContact CD1-CD1 4.06Å; C25-L29 VanDerWaalsContact O-CG 3.25Å; C25-L29 WeakPolarHBondContact O-CG 3.41Å; C25-L29 PolarHBondContact O-N 3.02Å; I26-L29 PolarHBondContact O-N 2.86Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L29 PolarHBondContact O-N 3Å; L29-M32 PolarHBondContact O-N 2.97Å; L29-G33 PolarHBondContact O-N 2.9Å; L29-V35 HydrophobicContact CB-CG2 4.28Å; L29-F37 HydrophobicContact CD1-CZ 4.11Å; L29-L341 HydrophobicContact CD2-CD1 3.17Å; L29-A344 HydrophobicContact CD2-CB 4.38Å; L29-L345 HydrophobicContact CD1-CD2 4.16Å; L29-L345 HydrophobicContact CD2-CD2 4.48Å; L29-L345 HydrophobicContact CG-CD2 4.5Å |
| 30 | G | 85.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.3 | -32.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I26 S27 E28 M32 F835 S836 F837 | I26-G30 PolarHBondContact O-N 2.92Å; S27-G30 PolarHBondContact O-N 2.78Å; E28-G30 VanDerWaalsContact C-N 3.32Å; E28-G30 PolarHBondContact O-N 2.93Å; G30-M32 VanDerWaalsContact C-N 3.33Å; G30-F835 VanDerWaalsContact CA-CE1 3.46Å; G30-S836 CarbonylContact O-C 3.56Å; G30-S836 WeakPolarHBondContact O-CA 3.43Å; G30-F837 WeakPolarHBondContact O-CD2 3.45Å; G30-F837 PolarHBondContact O-N 2.9Å |
| 31 | E | 85.1 | Confident | 86.9 | Confident | 74 Ų | 74 | 30.1 Ų | 30.1 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -70.4 | -31.8 | 172.1 | -67.4 | -65.9 | 170 | 0 | 0 | 111.6 | S27 E28 K307 F837 | S27-E31 PolarHBondContact O-N 3.32Å; E28-E31 PolarHBondContact O-N 3.12Å; E31-K307 IonicContact OE1-NZ 2.99Å; E31-K307 PolarHBondContact OE1-NZ 2.69Å; E31-K307 IonicContact OE2-NZ 2.59Å; E31-F837 HydrophobicContact CG-CD2 3.9Å; E31-F837 HydrophobicContact CG-CE2 4.05Å |
| 32 | M | 82.2 | Confident | 86.9 | Confident | 96 Ų | 96 | 34.8 Ų | 34.8 | 47% | 0.473 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -80.3 | -36.1 | 179.6 | -71 | -65.6 | -64.6 | 0 | 0 | 113.5 | E28 L29 G30 L34 | E28-M32 WeakPolarHBondContact O-CG 3.39Å; E28-M32 PolarHBondContact O-N 3.07Å; E28-M32 VanDerWaalsContact O-N 3.13Å; L29-M32 PolarHBondContact O-N 2.97Å; G30-M32 VanDerWaalsContact C-N 3.33Å; M32-L34 HydrophobicContact CB-CD1 4.22Å; M32-L34 HydrophobicContact CB-CG 4.25Å; M32-L34 HydrophobicContact CE-CD1 3.83Å |
| 33 | G | 83 | Confident | 86.9 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | L29 P834 F835 | L29-G33 PolarHBondContact O-N 2.9Å; G33-P834 WeakPolarHBondContact O-CB 3.33Å; G33-F835 WeakPolarHBondContact CA-O 3.41Å |
| 34 | L | 82.9 | Confident | 86.8 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | trans | -114.6 | -10 | -169.9 | -63.6 | 175.4 | 0 | 0 | 0 | 115.5 | M32 D337 K340 | M32-L34 HydrophobicContact CB-CD1 4.22Å; M32-L34 HydrophobicContact CB-CG 4.25Å; M32-L34 HydrophobicContact CE-CD1 3.83Å; L34-D337 HydrophobicContact CD1-CB 4.31Å; L34-K340 HydrophobicContact CD1-CB 4.17Å; L34-K340 HydrophobicContact CD1-CD 4.3Å | ||
| 35 | V | 88.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | trans | -125 | 139.6 | -170.4 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | L29 F37 V331 C333 L341 F835 | L29-V35 HydrophobicContact CB-CG2 4.28Å; V35-F37 HydrophobicContact CG2-CD2 4.48Å; V35-F37 HydrophobicContact CG2-CE2 3.76Å; V35-F37 HydrophobicContact CG2-CZ 4.15Å; V35-V331 HydrophobicContact CB-CB 4.13Å; V35-V331 HydrophobicContact CB-CG1 4.37Å; V35-V331 HydrophobicContact CB-CG2 4.46Å; V35-V331 HydrophobicContact CG1-CB 4.38Å; V35-V331 HydrophobicContact CG1-CG2 4.16Å; V35-C333 HydrophobicContact CG1-CB 4.21Å; V35-L341 HydrophobicContact CG1-CD1 3.76Å; V35-L341 HydrophobicContact CG1-CD2 4.04Å; V35-L341 HydrophobicContact CG1-CG 4.49Å; V35-F835 WeakPolarHBondContact O-CB 3.45Å; V35-F835 PolarHBondContact O-N 3.44Å | ||
| 36 | E | 90.8 | Very high | 86.5 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.7 | 170.2 | 179.4 | 175.7 | 174.9 | 0 | 0 | 108.5 | V331 W332 F832 C833 | E36-V331 CarbonylContact O-C 3.51Å; E36-V331 VanDerWaalsContact O-CA 3.23Å; E36-V331 WeakPolarHBondContact O-CA 3.45Å; E36-W332 HydrophobicContact CB-CB 4.34Å; E36-W332 PolarHBondContact N-O 2.77Å; E36-W332 VanDerWaalsContact N-O 3.12Å; E36-W332 PolarHBondContact O-N 2.9Å; E36-F832 HydrophobicContact CB-CD2 3.95Å; E36-F832 HydrophobicContact CB-CE2 3.5Å; E36-F832 VanDerWaalsContact CB-CE2 3.5Å; E36-F832 HydrophobicContact CB-CZ 4.2Å; E36-F832 WeakPolarHBondContact OE2-CA 3.31Å; E36-F832 WeakPolarHBondContact OE2-CD2 3.35Å; E36-C833 WeakPolarHBondContact CG-O 3.38Å; E36-C833 PolarHBondContact OE2-N 3.43Å; E36-C833 VanDerWaalsContact OE2-N 3.13Å |
| 37 | F | 90.8 | Very high | 86.3 | Confident | 23 Ų | 23 | 59 Ų | 59 | 10% | 0.101 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 136 | -177.4 | -72.4 | -93.4 | 0 | 0 | 0 | 110.8 | L15 L29 V35 I314 L317 A329 V331 F835 | L15-F37 HydrophobicContact CD1-CE1 4.41Å; L29-F37 HydrophobicContact CD1-CZ 4.11Å; V35-F37 HydrophobicContact CG2-CD2 4.48Å; V35-F37 HydrophobicContact CG2-CE2 3.76Å; V35-F37 HydrophobicContact CG2-CZ 4.15Å; F37-I314 HydrophobicContact CB-CD1 4.25Å; F37-I314 HydrophobicContact CD1-CG2 3.67Å; F37-I314 HydrophobicContact CD2-CD1 3.83Å; F37-I314 HydrophobicContact CD2-CG1 4.26Å; F37-I314 HydrophobicContact CD2-CG2 3.64Å; F37-I314 HydrophobicContact CE1-CG2 3.59Å; F37-I314 HydrophobicContact CE2-CG1 4.46Å; F37-I314 HydrophobicContact CE2-CG2 3.56Å; F37-I314 HydrophobicContact CG-CD1 4.19Å; F37-I314 HydrophobicContact CG-CG2 3.7Å; F37-I314 HydrophobicContact CZ-CG2 3.53Å; F37-L317 HydrophobicContact CB-CD1 4.17Å; F37-A329 HydrophobicContact CD1-CB 4.12Å; F37-A329 HydrophobicContact CE1-CB 4.03Å; F37-V331 HydrophobicContact CD1-CG1 3.51Å; F37-V331 HydrophobicContact CE1-CG1 3.58Å; F37-V331 HydrophobicContact CG-CG1 4.02Å; F37-V331 HydrophobicContact CZ-CG1 4.15Å; F37-F835 HydrophobicContact CD2-CB 3.96Å; F37-F835 HydrophobicContact CD2-CG 4.32Å; F37-F835 HydrophobicContact CE2-CB 4.01Å; F37-F835 AromaticContact CE2-CD1 3.93Å; F37-F835 HydrophobicContact CE2-CD1 3.93Å; F37-F835 HydrophobicContact CE2-CG 4.12Å |
| 38 | R | 89.4 | Confident | 86.1 | Confident | 99 Ų | 99 | 65 Ų | 65 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | trans | -89.3 | 143 | 169.6 | -168.5 | -172.4 | -174.7 | 170.7 | 12.5 | 109.8 | L40 E330 D367 | R38-L40 PolarHBondContact O-N 2.89Å; R38-E330 HydrophobicContact CB-CB 4.15Å; R38-E330 VanDerWaalsContact CD-OE2 3.32Å; R38-E330 WeakPolarHBondContact CD-OE2 3.3Å; R38-E330 IonicContact CZ-OE2 2.79Å; R38-E330 PolarHBondContact N-O 3.33Å; R38-E330 IonicContact NE-OE2 2.84Å; R38-E330 IonicContact NH1-OE2 3.41Å; R38-E330 PolarHBondContact NH1-OE2 3.35Å; R38-D367 IonicContact CZ-OD2 3.51Å; R38-D367 IonicContact NH1-OD2 3.49Å; R38-D367 PolarHBondContact NH1-OD2 3.44Å; R38-D367 IonicContact NH2-OD2 3.33Å; R38-D367 PolarHBondContact NH2-OD2 3.44Å | ||
| 39 | D | 89.3 | Confident | 86.1 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | trans | -73.2 | 114.9 | 168.6 | -163.4 | -11.2 | 0 | 0 | 0 | 110 | N41 R49 L317 | D39-N41 PolarHBondContact OD1-N 3.47Å; D39-R49 IonicContact OD1-NH2 3.92Å; D39-R49 PolarHBondContact OD1-NH2 2.91Å; D39-R49 IonicContact OD2-CZ 2.99Å; D39-R49 IonicContact OD2-NH1 3.98Å; D39-R49 IonicContact OD2-NH2 3.88Å; D39-R49 PolarHBondContact OD2-NH2 2.95Å; D39-L317 HydrophobicContact CB-CD2 3.82Å | ||
| 40 | L | 87 | Confident | 85.9 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -86.8 | -10 | 175.1 | -69.1 | 175.4 | 0 | 0 | 0 | 112.8 | R38 P42 L317 I328 E330 | R38-L40 PolarHBondContact O-N 2.89Å; L40-P42 WeakPolarHBondContact O-CD 3.23Å; L40-L317 PolarHBondContact N-O 2.93Å; L40-I328 VanDerWaalsContact CD1-O 3.3Å; L40-I328 WeakPolarHBondContact CD1-O 3.46Å; L40-E330 HydrophobicContact CD1-CG 4.48Å; L40-E330 HydrophobicContact CD2-CB 4.02Å; L40-E330 HydrophobicContact CD2-CG 3.79Å; L40-E330 HydrophobicContact CG-CB 4.49Å |
| 41 | N | 86.6 | Confident | 85.9 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 21% | 0.214 | 37% | 0.37 | C | S | . | . | trans | -121.8 | 57.3 | -173.8 | -55.4 | -47.5 | 0 | 0 | 0 | 112.1 | D39 N43 V44 R49 C318 | D39-N41 PolarHBondContact OD1-N 3.47Å; N41-N43 VanDerWaalsContact C-N 3.27Å; N41-N43 PolarHBondContact O-N 2.97Å; N41-V44 HydrophobicContact CB-CB 4.25Å; N41-V44 HydrophobicContact CB-CG2 4.27Å; N41-V44 PolarHBondContact O-N 3.23Å; N41-R49 PolarHBondContact O-NH2 3.02Å; N41-C318 PolarHBondContact ND2-O 2.88Å | ||
| 42 | P | 83.8 | Confident | 86.1 | Confident | 98 Ų | 98 | 69.9 Ų | 69.9 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -28.6 | -178.3 | 28.2 | -35.2 | 0 | 0 | 0 | 112.7 | L40 V44 | L40-P42 WeakPolarHBondContact O-CD 3.23Å; P42-V44 VanDerWaalsContact C-N 3.31Å; P42-V44 PolarHBondContact O-N 3.37Å |
| 43 | N | 86.4 | Confident | 86.4 | Confident | 157 Ų | 157 | 70.8 Ų | 70.8 | 84% | 0.84 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.7 | -177.1 | -61.7 | -17.6 | 0 | 0 | 0 | 113.3 | N41 | N41-N43 VanDerWaalsContact C-N 3.27Å; N41-N43 PolarHBondContact O-N 2.97Å |
| 44 | V | 87 | Confident | 86.6 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -104.4 | 120 | -176.3 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | N41 P42 Q48 R49 | N41-V44 HydrophobicContact CB-CB 4.25Å; N41-V44 HydrophobicContact CB-CG2 4.27Å; N41-V44 PolarHBondContact O-N 3.23Å; P42-V44 VanDerWaalsContact C-N 3.31Å; P42-V44 PolarHBondContact O-N 3.37Å; V44-Q48 HydrophobicContact CG1-CB 3.75Å; V44-R49 HydrophobicContact CG1-CG 4.16Å |
| 45 | N | 87.1 | Confident | 86.9 | Confident | 113 Ų | 113 | 72.7 Ų | 72.7 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | trans | -59.9 | 147.8 | 176.2 | -76 | -23.3 | 0 | 0 | 0 | 111.4 | F47 Q48 | N45-F47 PolarHBondContact O-N 3.13Å; N45-F47 VanDerWaalsContact O-N 3.09Å; N45-Q48 PolarHBondContact O-N 2.92Å | ||
| 46 | S | 80.9 | Confident | 86.9 | Confident | 97 Ų | 97 | 77.3 Ų | 77.3 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -51.1 | -39 | -177.1 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | Q48 R49 V52 | S46-Q48 PolarHBondContact O-N 3.31Å; S46-R49 PolarHBondContact O-N 3.43Å; S46-V52 WeakPolarHBondContact O-CG2 3.39Å |
| 47 | F | 83.8 | Confident | 86.8 | Confident | 149 Ų | 149 | 79.8 Ų | 79.8 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -69.1 | -27.6 | -180 | -175.8 | -92 | 0 | 0 | 0 | 114.5 | N45 R49 | N45-F47 PolarHBondContact O-N 3.13Å; N45-F47 VanDerWaalsContact O-N 3.09Å; F47-R49 VanDerWaalsContact C-N 3.3Å |
| 48 | Q | 85.4 | Confident | 86.6 | Confident | 133 Ų | 133 | 78.8 Ų | 78.8 | 62% | 0.621 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -84.3 | -7.8 | -177.8 | -68.4 | 173.9 | -15.6 | 0 | 0 | 112.4 | V44 N45 S46 | V44-Q48 HydrophobicContact CG1-CB 3.75Å; N45-Q48 PolarHBondContact O-N 2.92Å; S46-Q48 PolarHBondContact O-N 3.31Å |
| 49 | R | 85.1 | Confident | 86.6 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 16% | 0.158 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -69.7 | 151.9 | 178.7 | -60.6 | -174.5 | 178.7 | -166.6 | -5.6 | 111 | D39 N41 V44 S46 F47 V52 N316 | D39-R49 IonicContact OD1-NH2 3.92Å; D39-R49 PolarHBondContact OD1-NH2 2.91Å; D39-R49 IonicContact OD2-CZ 2.99Å; D39-R49 IonicContact OD2-NH1 3.98Å; D39-R49 IonicContact OD2-NH2 3.88Å; D39-R49 PolarHBondContact OD2-NH2 2.95Å; N41-R49 PolarHBondContact O-NH2 3.02Å; V44-R49 HydrophobicContact CG1-CG 4.16Å; S46-R49 PolarHBondContact O-N 3.43Å; F47-R49 VanDerWaalsContact C-N 3.3Å; R49-V52 HydrophobicContact CB-CG2 3.95Å; R49-V52 WeakPolarHBondContact O-CG2 3.48Å; R49-N316 HydrophobicContact CB-CB 4.45Å |
| 50 | K | 82.8 | Confident | 86.6 | Confident | 129 Ų | 129 | 79.5 Ų | 79.5 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -42.6 | -169.9 | -173.2 | 178.5 | 179.6 | -179.5 | 0 | 114 | V52 F320 | K50-V52 VanDerWaalsContact C-N 3.33Å; K50-V52 PolarHBondContact O-N 3.48Å; K50-F320 VanDerWaalsContact NZ-CE2 3.26Å |
| 51 | H | 85.5 | Confident | 86.6 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 13% | 0.13 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 19.8 | -173 | -60.5 | -81.9 | 0 | 0 | 0 | 113.6 | N53 E54 I55 Y312 N316 | H51-N53 PolarHBondContact O-N 3.05Å; H51-E54 IonicContact CE1-OE2 3.74Å; H51-E54 IonicContact CG-OE2 3.02Å; H51-E54 IonicContact ND1-OE2 2.69Å; H51-E54 PolarHBondContact ND1-OE2 3.5Å; H51-E54 PolarHBondContact O-N 3.48Å; H51-I55 PolarHBondContact O-N 3.47Å; H51-I55 VanDerWaalsContact O-N 3.13Å; H51-Y312 HydrophobicContact CB-CD1 4.42Å; H51-N316 WeakPolarHBondContact CA-OD1 3.3Å; H51-N316 VanDerWaalsContact CB-OD1 3.23Å; H51-N316 WeakPolarHBondContact CB-OD1 3.48Å; H51-N316 PolarHBondContact N-OD1 3.26Å |
| 52 | V | 89.1 | Confident | 86.7 | Confident | 20 Ų | 20 | 77 Ų | 77 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | -179.4 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | S46 R49 K50 E54 I55 K56 | S46-V52 WeakPolarHBondContact O-CG2 3.39Å; R49-V52 HydrophobicContact CB-CG2 3.95Å; R49-V52 WeakPolarHBondContact O-CG2 3.48Å; K50-V52 VanDerWaalsContact C-N 3.33Å; K50-V52 PolarHBondContact O-N 3.48Å; V52-E54 PolarHBondContact O-N 3.36Å; V52-I55 PolarHBondContact O-N 2.95Å; V52-K56 HydrophobicContact CG1-CD 4.3Å; V52-K56 HydrophobicContact CG1-CG 4.47Å; V52-K56 WeakPolarHBondContact O-CG 3.48Å; V52-K56 PolarHBondContact O-N 3.44Å |
| 53 | N | 89.2 | Confident | 86.9 | Confident | 114 Ų | 114 | 78.4 Ų | 78.4 | 61% | 0.61 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.9 | -31.5 | 178.8 | -69.2 | -23.4 | 0 | 0 | 0 | 111.9 | H51 K57 | H51-N53 PolarHBondContact O-N 3.05Å; N53-K57 VanDerWaalsContact O-CG 3.32Å; N53-K57 WeakPolarHBondContact O-CG 3.4Å; N53-K57 PolarHBondContact O-N 2.78Å |
| 54 | E | 87.3 | Confident | 87.1 | Confident | 66 Ų | 66 | 71 Ų | 71 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75 | -40.5 | 177.1 | -68.2 | 169.8 | 167.6 | 0 | 0 | 111 | H51 V52 K56 K57 C58 Y312 | H51-E54 IonicContact CE1-OE2 3.74Å; H51-E54 IonicContact CG-OE2 3.02Å; H51-E54 IonicContact ND1-OE2 2.69Å; H51-E54 PolarHBondContact ND1-OE2 3.5Å; H51-E54 PolarHBondContact O-N 3.48Å; V52-E54 PolarHBondContact O-N 3.36Å; E54-K56 PolarHBondContact O-N 3.36Å; E54-K57 WeakPolarHBondContact O-CB 3.41Å; E54-K57 PolarHBondContact O-N 2.9Å; E54-C58 PolarHBondContact O-N 3.27Å; E54-C58 PolarHBondContact O-SG 3.32Å; E54-Y312 HydrophobicContact CB-CD1 3.99Å; E54-Y312 HydrophobicContact CB-CD2 4.09Å; E54-Y312 HydrophobicContact CB-CE1 4.04Å; E54-Y312 HydrophobicContact CB-CE2 4.1Å; E54-Y312 HydrophobicContact CB-CG 4.04Å; E54-Y312 VanDerWaalsContact CD-CE1 3.48Å; E54-Y312 HydrophobicContact CG-CE1 4.24Å; E54-Y312 WeakPolarHBondContact OE2-CD1 3.33Å; E54-Y312 WeakPolarHBondContact OE2-CE1 3.32Å |
| 55 | I | 88.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 173 | -65.1 | 179.7 | 0 | 0 | 0 | 111 | H51 V52 K57 C58 E59 N316 | H51-I55 PolarHBondContact O-N 3.47Å; H51-I55 VanDerWaalsContact O-N 3.13Å; V52-I55 PolarHBondContact O-N 2.95Å; I55-K57 VanDerWaalsContact C-N 3.29Å; I55-K57 PolarHBondContact O-N 2.78Å; I55-C58 WeakPolarHBondContact O-CA 3.41Å; I55-C58 VanDerWaalsContact O-CB 3.31Å; I55-C58 WeakPolarHBondContact O-CB 3.32Å; I55-C58 PolarHBondContact O-N 2.82Å; I55-E59 HydrophobicContact CG2-CG 4.35Å; I55-E59 WeakPolarHBondContact O-CG 3.27Å; I55-E59 PolarHBondContact O-N 3.45Å; I55-N316 WeakPolarHBondContact CD1-ND2 3.33Å |
| 56 | K | 89.3 | Confident | 87 | Confident | 97 Ų | 97 | 64.1 Ų | 64.1 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 176.8 | -74.9 | 179.9 | 176.7 | -179.2 | 0 | 112.6 | V52 E54 C58 E59 E60 | V52-K56 HydrophobicContact CG1-CD 4.3Å; V52-K56 HydrophobicContact CG1-CG 4.47Å; V52-K56 WeakPolarHBondContact O-CG 3.48Å; V52-K56 PolarHBondContact O-N 3.44Å; E54-K56 PolarHBondContact O-N 3.36Å; K56-C58 VanDerWaalsContact C-N 3.34Å; K56-E59 PolarHBondContact O-N 2.93Å; K56-E60 PolarHBondContact O-N 3.02Å |
| 57 | K | 88.4 | Confident | 87.3 | Confident | 94 Ų | 94 | 61.7 Ų | 61.7 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 173.7 | -71.2 | 172.5 | -176.6 | -176.4 | 0 | 111.7 | N53 E54 I55 E60 M61 | N53-K57 VanDerWaalsContact O-CG 3.32Å; N53-K57 WeakPolarHBondContact O-CG 3.4Å; N53-K57 PolarHBondContact O-N 2.78Å; E54-K57 WeakPolarHBondContact O-CB 3.41Å; E54-K57 PolarHBondContact O-N 2.9Å; I55-K57 VanDerWaalsContact C-N 3.29Å; I55-K57 PolarHBondContact O-N 2.78Å; K57-E60 PolarHBondContact O-N 3.32Å; K57-M61 HydrophobicContact CB-CE 4.39Å; K57-M61 WeakPolarHBondContact O-CG 3.42Å; K57-M61 PolarHBondContact O-N 3.04Å; K57-M61 VanDerWaalsContact O-N 3.11Å |
| 58 | C | 87.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | E54 I55 K56 E60 M61 E62 V305 M308 K309 | E54-C58 PolarHBondContact O-N 3.27Å; E54-C58 PolarHBondContact O-SG 3.32Å; I55-C58 WeakPolarHBondContact O-CA 3.41Å; I55-C58 VanDerWaalsContact O-CB 3.31Å; I55-C58 WeakPolarHBondContact O-CB 3.32Å; I55-C58 PolarHBondContact O-N 2.82Å; K56-C58 VanDerWaalsContact C-N 3.34Å; C58-E60 VanDerWaalsContact C-N 3.33Å; C58-E60 PolarHBondContact O-N 3.36Å; C58-M61 WeakPolarHBondContact O-CB 3.47Å; C58-M61 PolarHBondContact O-N 2.97Å; C58-E62 WeakPolarHBondContact O-CG 3.36Å; C58-E62 PolarHBondContact O-N 3.46Å; C58-V305 HydrophobicContact CB-CG1 4.49Å; C58-M308 HydrophobicContact CB-CE 3.96Å; C58-M308 WeakPolarHBondContact SG-CE 3.15Å; C58-K309 HydrophobicContact CB-CB 4.01Å; C58-K309 HydrophobicContact CB-CG 4.32Å |
| 59 | E | 88.6 | Confident | 87.2 | Confident | 88 Ų | 88 | 49.6 Ų | 49.6 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 178.2 | -72 | 174.6 | 170 | 0 | 0 | 112.3 | I55 K56 E62 R63 K309 | I55-E59 HydrophobicContact CG2-CG 4.35Å; I55-E59 WeakPolarHBondContact O-CG 3.27Å; I55-E59 PolarHBondContact O-N 3.45Å; K56-E59 PolarHBondContact O-N 2.93Å; E59-E62 PolarHBondContact O-N 3.34Å; E59-R63 PolarHBondContact O-N 3.47Å; E59-K309 IonicContact OE1-NZ 2.76Å |
| 60 | E | 89.1 | Confident | 87.1 | Confident | 84 Ų | 84 | 55 Ų | 55 | 39% | 0.393 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 173.2 | -169.8 | 178.4 | 177.8 | 0 | 0 | 111.4 | K56 K57 C58 E62 R63 I64 | K56-E60 PolarHBondContact O-N 3.02Å; K57-E60 PolarHBondContact O-N 3.32Å; C58-E60 VanDerWaalsContact C-N 3.33Å; C58-E60 PolarHBondContact O-N 3.36Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 2.98Å; E60-R63 WeakPolarHBondContact O-CB 3.47Å; E60-R63 PolarHBondContact O-N 3.48Å; E60-I64 HydrophobicContact CG-CD1 4.48Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.47Å; E60-I64 PolarHBondContact O-N 2.93Å |
| 61 | M | 87.6 | Confident | 87.1 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 173.5 | -65.4 | 179.2 | -145.1 | 0 | 0 | 112.1 | K57 C58 I64 L65 I94 M98 L101 V305 M308 | K57-M61 HydrophobicContact CB-CE 4.39Å; K57-M61 WeakPolarHBondContact O-CG 3.42Å; K57-M61 PolarHBondContact O-N 3.04Å; K57-M61 VanDerWaalsContact O-N 3.11Å; C58-M61 WeakPolarHBondContact O-CB 3.47Å; C58-M61 PolarHBondContact O-N 2.97Å; M61-I64 PolarHBondContact O-N 3.3Å; M61-L65 WeakPolarHBondContact O-CB 3.32Å; M61-L65 VanDerWaalsContact O-CG 3.32Å; M61-L65 WeakPolarHBondContact O-CG 3.12Å; M61-L65 PolarHBondContact O-N 3.2Å; M61-I94 HydrophobicContact CE-CG2 3.83Å; M61-M98 HydrophobicContact CE-CB 3.54Å; M61-M98 HydrophobicContact CE-CG 3.64Å; M61-M98 HydrophobicContact CE-SD 3.73Å; M61-M98 HydrophobicContact CG-CG 4.46Å; M61-M98 HydrophobicContact SD-CB 4.2Å; M61-L101 HydrophobicContact CB-CD1 4.09Å; M61-L101 HydrophobicContact CG-CD1 4.22Å; M61-V305 HydrophobicContact CB-CG1 4.06Å; M61-V305 HydrophobicContact CB-CG2 4.12Å; M61-V305 HydrophobicContact SD-CG2 4.23Å; M61-M308 HydrophobicContact CE-CE 4.2Å; M61-M308 HydrophobicContact SD-CE 3.89Å |
| 62 | E | 87.7 | Confident | 86.9 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 173.8 | -72 | -178.1 | 157.3 | 0 | 0 | 111.5 | C58 E59 E60 I64 L65 G66 V305 K309 F844 | C58-E62 WeakPolarHBondContact O-CG 3.36Å; C58-E62 PolarHBondContact O-N 3.46Å; E59-E62 PolarHBondContact O-N 3.34Å; E60-E62 VanDerWaalsContact C-N 3.33Å; E60-E62 PolarHBondContact O-N 2.98Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 2.92Å; E62-L65 PolarHBondContact O-N 3.32Å; E62-G66 PolarHBondContact O-N 3.36Å; E62-V305 HydrophobicContact CG-CG1 3.6Å; E62-K309 WeakPolarHBondContact OE1-CD 3.46Å; E62-K309 IonicContact OE1-NZ 3.67Å; E62-K309 WeakPolarHBondContact OE2-CD 3.3Å; E62-K309 IonicContact OE2-NZ 3.67Å; E62-K309 PolarHBondContact OE2-NZ 3.19Å; E62-F844 HydrophobicContact CB-CE1 4.48Å; E62-F844 HydrophobicContact CG-CE1 4.45Å; E62-F844 HydrophobicContact CG-CZ 4.27Å |
| 63 | R | 89.4 | Confident | 86.5 | Confident | 127 Ų | 127 | 52.5 Ų | 52.5 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 175 | -174.9 | -165.5 | 66.7 | 74.6 | 1.6 | 111.2 | E59 E60 G66 Y67 E105 | E59-R63 PolarHBondContact O-N 3.47Å; E60-R63 WeakPolarHBondContact O-CB 3.47Å; E60-R63 PolarHBondContact O-N 3.48Å; R63-G66 PolarHBondContact O-N 3Å; R63-Y67 PolarHBondContact O-N 3.23Å; R63-E105 IonicContact CZ-OE1 3.62Å; R63-E105 VanDerWaalsContact CZ-OE1 3.32Å; R63-E105 IonicContact NH1-OE1 3.58Å; R63-E105 PolarHBondContact NH1-OE1 3.34Å; R63-E105 IonicContact NH2-OE1 2.79Å; R63-E105 PolarHBondContact NH2-OE1 3.41Å; R63-E105 IonicContact NH2-OE2 3.28Å; R63-E105 PolarHBondContact NH2-OE2 2.96Å |
| 64 | I | 88.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -48.3 | 179.2 | -64 | 170.9 | 0 | 0 | 0 | 110.5 | E60 M61 E62 G66 Y67 L68 L101 Q102 E105 | E60-I64 HydrophobicContact CG-CD1 4.48Å; E60-I64 VanDerWaalsContact O-CG1 3.31Å; E60-I64 WeakPolarHBondContact O-CG1 3.47Å; E60-I64 PolarHBondContact O-N 2.93Å; M61-I64 PolarHBondContact O-N 3.3Å; E62-I64 VanDerWaalsContact C-N 3.34Å; E62-I64 PolarHBondContact O-N 2.92Å; I64-G66 VanDerWaalsContact C-N 3.29Å; I64-G66 PolarHBondContact O-N 3.46Å; I64-Y67 WeakPolarHBondContact O-CB 3.27Å; I64-Y67 PolarHBondContact O-N 3.41Å; I64-Y67 VanDerWaalsContact O-N 3.13Å; I64-L68 HydrophobicContact CG2-CD1 4.36Å; I64-L68 WeakPolarHBondContact O-CG 2.91Å; I64-L68 PolarHBondContact O-N 2.99Å; I64-L101 HydrophobicContact CG2-CB 4.19Å; I64-Q102 HydrophobicContact CD1-CG 4.08Å; I64-E105 WeakPolarHBondContact CD1-OE2 3.41Å; I64-E105 VanDerWaalsContact CG1-OE2 3.31Å; I64-E105 WeakPolarHBondContact CG1-OE2 3.37Å; I64-E105 HydrophobicContact CG2-CB 3.94Å; I64-E105 HydrophobicContact CG2-CG 4.4Å |
| 65 | L | 87 | Confident | 85.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -38.2 | 176.8 | -74.3 | 167.5 | 0 | 0 | 0 | 112 | M61 E62 L68 L69 L101 V298 W301 V305 | M61-L65 WeakPolarHBondContact O-CB 3.32Å; M61-L65 VanDerWaalsContact O-CG 3.32Å; M61-L65 WeakPolarHBondContact O-CG 3.12Å; M61-L65 PolarHBondContact O-N 3.2Å; E62-L65 PolarHBondContact O-N 3.32Å; L65-L68 PolarHBondContact O-N 3.43Å; L65-L69 WeakPolarHBondContact O-CB 3.23Å; L65-L69 PolarHBondContact O-N 3.23Å; L65-L101 HydrophobicContact CD1-CD1 4.27Å; L65-L101 HydrophobicContact CD2-CD1 4.35Å; L65-L101 HydrophobicContact CD2-CD2 3.61Å; L65-L101 HydrophobicContact CG-CD1 4.11Å; L65-L101 HydrophobicContact CG-CD2 4.1Å; L65-V298 HydrophobicContact CD2-CG1 4.46Å; L65-W301 HydrophobicContact CD1-CB 4.32Å; L65-W301 HydrophobicContact CD2-CB 3.96Å; L65-W301 HydrophobicContact CD2-CE3 4.33Å; L65-V305 HydrophobicContact CD1-CB 4.26Å; L65-V305 HydrophobicContact CD1-CG2 3.92Å |
| 66 | G | 86.1 | Confident | 85.1 | Confident | 21 Ų | 21 | 59 Ų | 59 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -36.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E62 R63 I64 R70 | E62-G66 PolarHBondContact O-N 3.36Å; R63-G66 PolarHBondContact O-N 3Å; I64-G66 VanDerWaalsContact C-N 3.29Å; I64-G66 PolarHBondContact O-N 3.46Å; G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.1Å |
| 67 | Y | 86.3 | Confident | 84.5 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 18% | 0.18 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -49.4 | 170.5 | 174.9 | -111.3 | 0 | 0 | 0 | 111.7 | R63 I64 L69 R70 E71 L108 | R63-Y67 PolarHBondContact O-N 3.23Å; I64-Y67 WeakPolarHBondContact O-CB 3.27Å; I64-Y67 PolarHBondContact O-N 3.41Å; I64-Y67 VanDerWaalsContact O-N 3.13Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 3.33Å; Y67-R70 WeakPolarHBondContact O-CB 3.32Å; Y67-R70 PolarHBondContact O-N 3.19Å; Y67-R70 VanDerWaalsContact O-N 3.11Å; Y67-E71 HydrophobicContact CD2-CG 4.47Å; Y67-E71 HydrophobicContact CE1-CG 4.33Å; Y67-E71 HydrophobicContact CE2-CG 3.96Å; Y67-E71 PolarHBondContact O-N 3.13Å; Y67-E71 VanDerWaalsContact O-N 3.1Å; Y67-L108 HydrophobicContact CE1-CD2 3.92Å |
| 68 | L | 84.1 | Confident | 83.5 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 177.6 | -68.2 | 174.9 | 0 | 0 | 0 | 112.3 | I64 L65 R70 E71 I72 L101 L108 V298 | I64-L68 HydrophobicContact CG2-CD1 4.36Å; I64-L68 WeakPolarHBondContact O-CG 2.91Å; I64-L68 PolarHBondContact O-N 2.99Å; L65-L68 PolarHBondContact O-N 3.43Å; L68-R70 VanDerWaalsContact C-N 3.32Å; L68-R70 PolarHBondContact O-N 3.27Å; L68-E71 PolarHBondContact O-N 3.24Å; L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.48Å; L68-I72 PolarHBondContact O-N 3.26Å; L68-L101 HydrophobicContact CD1-CD2 4.11Å; L68-L108 HydrophobicContact CD2-CD2 3.52Å; L68-V298 HydrophobicContact CD1-CG2 4.42Å |
| 69 | L | 83.7 | Confident | 82.4 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 177.3 | -87.7 | 163.6 | 0 | 0 | 0 | 112.8 | L65 Y67 K73 L79 V298 V302 F844 | L65-L69 WeakPolarHBondContact O-CB 3.23Å; L65-L69 PolarHBondContact O-N 3.23Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 3.33Å; L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.43Å; L69-L79 HydrophobicContact CD2-CD1 4.1Å; L69-V298 HydrophobicContact CD2-CG1 4.23Å; L69-V298 HydrophobicContact CG-CG1 4.07Å; L69-V302 HydrophobicContact CD1-CG2 4.28Å; L69-F844 HydrophobicContact CD1-CB 3.99Å; L69-F844 HydrophobicContact CD1-CD2 3.58Å; L69-F844 HydrophobicContact CD1-CE2 4.36Å; L69-F844 HydrophobicContact CD1-CG 4.08Å |
| 70 | R | 83.6 | Confident | 81.1 | Confident | 156 Ų | 156 | 57.8 Ų | 57.8 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 175.1 | -75.5 | -175.8 | -68.3 | 165.3 | -0.6 | 111.3 | G66 Y67 L68 K73 K74 | G66-R70 WeakPolarHBondContact O-CG 3.39Å; G66-R70 PolarHBondContact O-N 3.1Å; Y67-R70 WeakPolarHBondContact O-CB 3.32Å; Y67-R70 PolarHBondContact O-N 3.19Å; Y67-R70 VanDerWaalsContact O-N 3.11Å; L68-R70 VanDerWaalsContact C-N 3.32Å; L68-R70 PolarHBondContact O-N 3.27Å; R70-K73 PolarHBondContact O-N 3.31Å; R70-K74 WeakPolarHBondContact O-CG 3.43Å; R70-K74 PolarHBondContact O-N 3.49Å |
| 71 | E | 81.4 | Confident | 79.5 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 177.5 | -66.9 | -55.3 | 134.6 | 0 | 0 | 112.5 | Y67 L68 K73 K74 A75 L108 L291 | Y67-E71 HydrophobicContact CD2-CG 4.47Å; Y67-E71 HydrophobicContact CE1-CG 4.33Å; Y67-E71 HydrophobicContact CE2-CG 3.96Å; Y67-E71 PolarHBondContact O-N 3.13Å; Y67-E71 VanDerWaalsContact O-N 3.1Å; L68-E71 PolarHBondContact O-N 3.24Å; E71-K73 VanDerWaalsContact C-N 3.33Å; E71-K73 PolarHBondContact O-N 3.34Å; E71-K74 PolarHBondContact O-N 2.94Å; E71-K74 IonicContact OE1-NZ 3.44Å; E71-K74 PolarHBondContact OE1-NZ 3.33Å; E71-K74 IonicContact OE2-NZ 3.81Å; E71-A75 PolarHBondContact O-N 3.04Å; E71-A75 VanDerWaalsContact O-N 3.11Å; E71-L108 HydrophobicContact CB-CD2 4.17Å; E71-L108 HydrophobicContact CG-CD2 4.09Å; E71-L291 HydrophobicContact CB-CD2 4.22Å |
| 72 | I | 82.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 174.2 | -68 | 166.2 | 0 | 0 | 0 | 111.1 | L68 A75 D76 I77 L79 L291 V298 | L68-I72 VanDerWaalsContact O-CG1 3.24Å; L68-I72 WeakPolarHBondContact O-CG1 3.48Å; L68-I72 PolarHBondContact O-N 3.26Å; I72-A75 PolarHBondContact O-N 3.33Å; I72-D76 PolarHBondContact O-N 2.87Å; I72-I77 HydrophobicContact CG2-CB 4.16Å; I72-I77 PolarHBondContact O-N 2.76Å; I72-L79 HydrophobicContact CG2-CD2 4.12Å; I72-L79 HydrophobicContact CG2-CG 4.27Å; I72-L291 HydrophobicContact CG1-CD2 3.98Å; I72-V298 HydrophobicContact CD1-CG2 4.2Å |
| 73 | K | 80.8 | Confident | 76.1 | Confident | 100 Ų | 100 | 71.7 Ų | 71.7 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 176.3 | -76.2 | -178.3 | -173.6 | -179.6 | 0 | 112.2 | L69 R70 E71 A75 D76 E845 | L69-K73 WeakPolarHBondContact O-CG 3.43Å; L69-K73 PolarHBondContact O-N 3.43Å; R70-K73 PolarHBondContact O-N 3.31Å; E71-K73 VanDerWaalsContact C-N 3.33Å; E71-K73 PolarHBondContact O-N 3.34Å; K73-A75 PolarHBondContact O-N 3.23Å; K73-D76 PolarHBondContact O-N 3.49Å; K73-E845 IonicContact NZ-OE1 3.99Å; K73-E845 PolarHBondContact NZ-OE1 3Å |
| 74 | K | 81.2 | Confident | 74.3 | Confident | 154 Ų | 154 | 72 Ų | 72 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.5 | -31.9 | 174.3 | -73.2 | 176.1 | -177.7 | 173.9 | 0 | 112.4 | R70 E71 | R70-K74 WeakPolarHBondContact O-CG 3.43Å; R70-K74 PolarHBondContact O-N 3.49Å; E71-K74 PolarHBondContact O-N 2.94Å; E71-K74 IonicContact OE1-NZ 3.44Å; E71-K74 PolarHBondContact OE1-NZ 3.33Å; E71-K74 IonicContact OE2-NZ 3.81Å |
| 75 | A | 77.8 | Confident | 72.9 | Confident | 36 Ų | 36 | 78.3 Ų | 78.3 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E71 I72 K73 I77 L291 | E71-A75 PolarHBondContact O-N 3.04Å; E71-A75 VanDerWaalsContact O-N 3.11Å; I72-A75 PolarHBondContact O-N 3.33Å; K73-A75 PolarHBondContact O-N 3.23Å; A75-I77 HydrophobicContact CB-CD1 3.84Å; A75-I77 HydrophobicContact CB-CG1 4.02Å; A75-I77 PolarHBondContact O-N 3.46Å; A75-I77 VanDerWaalsContact O-N 3.16Å; A75-L291 HydrophobicContact CB-CD1 3.9Å |
| 76 | D | 76.3 | Confident | 71.7 | Confident | 150 Ų | 150 | 79.3 Ų | 79.3 | 80% | 0.802 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 37.4 | -177.4 | -84 | -24.8 | 0 | 0 | 0 | 114.1 | I72 K73 | I72-D76 PolarHBondContact O-N 2.87Å; K73-D76 PolarHBondContact O-N 3.49Å |
| 77 | I | 76.1 | Confident | 70.7 | Confident | 25 Ų | 25 | 83 Ų | 83 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -86 | 123.1 | 176.6 | -61.6 | 165.2 | 0 | 0 | 0 | 108.8 | I72 A75 L79 L291 I292 | I72-I77 HydrophobicContact CG2-CB 4.16Å; I72-I77 PolarHBondContact O-N 2.76Å; A75-I77 HydrophobicContact CB-CD1 3.84Å; A75-I77 HydrophobicContact CB-CG1 4.02Å; A75-I77 PolarHBondContact O-N 3.46Å; A75-I77 VanDerWaalsContact O-N 3.16Å; I77-L79 PolarHBondContact O-N 2.86Å; I77-L291 HydrophobicContact CD1-CB 3.56Å; I77-L291 HydrophobicContact CD1-CD1 4.3Å; I77-I292 HydrophobicContact CD1-CG1 4.19Å; I77-I292 HydrophobicContact CG2-CG1 4.39Å |
| 78 | S | 66.8 | Low | 69.8 | Low | 110 Ų | 110 | 81.3 Ų | 81.3 | 77% | 0.769 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 117.9 | 175.7 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | P80 | S78-P80 WeakPolarHBondContact O-CD 3.37Š|
| 79 | L | 65.3 | Low | 69.2 | Low | 67 Ų | 67 | 81.5 Ų | 81.5 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -70 | 123.9 | 174.8 | -73.2 | 156.3 | 0 | 0 | 0 | 110.1 | L69 I72 I77 E81 | L69-L79 HydrophobicContact CD2-CD1 4.1Å; I72-L79 HydrophobicContact CG2-CD2 4.12Å; I72-L79 HydrophobicContact CG2-CG 4.27Å; I77-L79 PolarHBondContact O-N 2.86Å; L79-E81 PolarHBondContact O-N 2.87Å |
| 80 | P | 61.7 | Low | 68.7 | Low | 53 Ų | 53 | 82.4 Ų | 82.4 | 34% | 0.344 | 42% | 0.422 | S | S | . | . | trans | -71.9 | 94.9 | 169.5 | 27.5 | -29.6 | 0 | 0 | 0 | 109.1 | S78 R82 | S78-P80 WeakPolarHBondContact O-CD 3.37Å; P80-R82 VanDerWaalsContact C-N 3.27Å; P80-R82 PolarHBondContact O-N 2.94Å | ||
| 81 | E | 55.4 | Low | 68.1 | Low | 100 Ų | 100 | 78 Ų | 78 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | trans | -67.8 | 85 | 170.1 | -69.5 | -174.4 | -172.3 | 0 | 0 | 109.5 | L79 R438 | L79-E81 PolarHBondContact O-N 2.87Å; E81-R438 IonicContact OE2-CZ 2.67Å; E81-R438 VanDerWaalsContact OE2-CZ 3.28Å; E81-R438 IonicContact OE2-NE 3.32Å; E81-R438 PolarHBondContact OE2-NE 2.88Å; E81-R438 IonicContact OE2-NH2 2.75Å; E81-R438 PolarHBondContact OE2-NH2 3.28Å | ||
| 82 | R | 52.8 | Low | 67.7 | Low | 184 Ų | 184 | 85.1 Ų | 85.1 | 69% | 0.694 | 45% | 0.445 | S | S | * | . | trans | -80.9 | 126.5 | 172.3 | -76.7 | -173.5 | 176.3 | 177.3 | 2.5 | 110 | P80 M84 Y299 | P80-R82 VanDerWaalsContact C-N 3.27Å; P80-R82 PolarHBondContact O-N 2.94Å; R82-M84 PolarHBondContact O-N 2.96Å; R82-Y299 WeakPolarHBondContact O-CE1 3.36Å | ||
| 83 | D | 50.7 | Low | 67.4 | Low | 121 Ų | 121 | 90.5 Ų | 90.5 | 65% | 0.647 | 47% | 0.469 | S | S | * | . | trans | -71.7 | 43.8 | 177.5 | -79.6 | -31.9 | 0 | 0 | 0 | 114.4 | R438 | D83-R438 VanDerWaalsContact CG-NH1 3.33Å; D83-R438 IonicContact OD1-CZ 3.65Å; D83-R438 IonicContact OD1-NH1 3.94Å; D83-R438 PolarHBondContact OD1-NH1 3.02Å; D83-R438 IonicContact OD1-NH2 3.93Å; D83-R438 IonicContact OD2-NH1 3.2Å; D83-R438 PolarHBondContact OD2-NH1 3.09Å | ||
| 84 | M | 51.8 | Low | 67.1 | Low | 133 Ų | 133 | 86.7 Ų | 86.7 | 66% | 0.655 | 45% | 0.454 | S | S | * | . | trans | -99.7 | 116.3 | 168.7 | -60.5 | -59.6 | -73 | 0 | 0 | 106.6 | R82 P86 | R82-M84 PolarHBondContact O-N 2.96Å; M84-P86 WeakPolarHBondContact O-CD 3.5Å | ||
| 85 | N | 58.4 | Low | 67.1 | Low | 135 Ų | 135 | 84.6 Ų | 84.6 | 72% | 0.722 | 45% | 0.448 | S | S | * | . | trans | -77.5 | 95.2 | 159.2 | -74.3 | -18.5 | 0 | 0 | 0 | 106 | V87 | N85-V87 PolarHBondContact O-N 3.46Š| ||
| 86 | P | 63.6 | Low | 67.5 | Low | 21 Ų | 21 | 86 Ų | 86 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -62 | 139.9 | 178.5 | 28.5 | -36.6 | 0 | 0 | 0 | 109 | M84 V303 Q304 K307 | M84-P86 WeakPolarHBondContact O-CD 3.5Å; P86-V303 HydrophobicContact CG-CB 4.02Å; P86-V303 HydrophobicContact CG-CG1 3.89Å; P86-Q304 HydrophobicContact CB-CG 4.11Å; P86-Q304 HydrophobicContact CG-CG 3.93Å; P86-K307 PolarHBondContact O-NZ 2.9Å |
| 87 | V | 65.1 | Low | 67.8 | Low | 98 Ų | 98 | 79.6 Ų | 79.6 | 59% | 0.594 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 146.3 | 167.4 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | N85 | N85-V87 PolarHBondContact O-N 3.46Š|
| 88 | A | 65.6 | Low | 68.3 | Low | 12 Ų | 12 | 80.1 Ų | 80.1 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 135.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S27 K307 I311 | S27-A88 VanDerWaalsContact OG-CB 3.31Å; S27-A88 WeakPolarHBondContact OG-CB 3.4Å; A88-K307 HydrophobicContact CB-CB 4.49Å; A88-K307 HydrophobicContact CB-CD 4.46Å; A88-I311 HydrophobicContact CB-CD1 3.95Å |
| 89 | P | 72.9 | Confident | 69.3 | Low | 8 Ų | 8 | 80.8 Ų | 80.8 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 144.4 | -177.8 | 29.9 | -34.9 | 0 | 0 | 0 | 110.5 | Y23 H93 I97 Q304 | Y23-P89 VanDerWaalsContact CE1-O 3.31Å; Y23-P89 WeakPolarHBondContact CE1-O 3.4Å; Y23-P89 PolarHBondContact OH-O 3.24Å; P89-H93 HydrophobicContact CB-CB 4.2Å; P89-I97 HydrophobicContact CB-CD1 4.34Å; P89-Q304 HydrophobicContact CG-CB 4.07Å; P89-Q304 HydrophobicContact CG-CG 4.4Å |
| 90 | S | 71.9 | Confident | 70.3 | Confident | 43 Ų | 43 | 82 Ų | 82 | 30% | 0.301 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 153.5 | 169.1 | 75.5 | 0 | 0 | 0 | 0 | 110.6 | K92 H93 I94 | S90-K92 PolarHBondContact O-N 3.34Å; S90-H93 PolarHBondContact O-N 3.27Å; S90-H93 PolarHBondContact OG-ND1 3.34Å; S90-I94 PolarHBondContact O-N 2.97Å |
| 91 | P | 71.3 | Confident | 71.6 | Confident | 63 Ų | 63 | 79.4 Ų | 79.4 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.5 | -24.7 | -178.5 | 20.6 | -32.4 | 0 | 0 | 0 | 114 | I94 | P91-I94 HydrophobicContact CB-CD1 4.24Å; P91-I94 WeakPolarHBondContact O-CB 3.31Å |
| 92 | K | 73.8 | Confident | 73.2 | Confident | 174 Ų | 174 | 77.9 Ų | 77.9 | 76% | 0.757 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.2 | -37.3 | 175.7 | -65.1 | -178.2 | -179.7 | 177.6 | 0 | 112.6 | S90 I94 | S90-K92 PolarHBondContact O-N 3.34Å; K92-I94 PolarHBondContact O-N 2.97Å |
| 93 | H | 75.8 | Confident | 74.9 | Confident | 114 Ų | 114 | 77.2 Ų | 77.2 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.2 | -20.6 | 177.9 | -66.4 | 163.9 | 0 | 0 | 0 | 112.5 | P89 S90 M95 T96 I97 | P89-H93 HydrophobicContact CB-CB 4.2Å; S90-H93 PolarHBondContact O-N 3.27Å; S90-H93 PolarHBondContact OG-ND1 3.34Å; H93-M95 VanDerWaalsContact C-N 3.34Å; H93-M95 PolarHBondContact O-N 2.6Å; H93-T96 PolarHBondContact O-N 3.47Å; H93-I97 VanDerWaalsContact O-CG1 3.32Å; H93-I97 WeakPolarHBondContact O-CG1 3.25Å; H93-I97 PolarHBondContact O-N 2.99Å |
| 94 | I | 75.3 | Confident | 76.7 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.1 | -47 | 176.6 | -57.5 | 175.3 | 0 | 0 | 0 | 111 | M61 S90 P91 K92 T96 I97 M98 M308 Y312 | M61-I94 HydrophobicContact CE-CG2 3.83Å; S90-I94 PolarHBondContact O-N 2.97Å; P91-I94 HydrophobicContact CB-CD1 4.24Å; P91-I94 WeakPolarHBondContact O-CB 3.31Å; K92-I94 PolarHBondContact O-N 2.97Å; I94-T96 VanDerWaalsContact C-N 3.33Å; I94-T96 PolarHBondContact O-N 2.84Å; I94-I97 PolarHBondContact O-N 3.24Å; I94-M98 WeakPolarHBondContact O-CB 3.35Å; I94-M98 PolarHBondContact O-N 3.46Å; I94-M308 HydrophobicContact CB-SD 4.07Å; I94-M308 HydrophobicContact CD1-CG 4.13Å; I94-M308 HydrophobicContact CD1-SD 3.33Å; I94-M308 WeakPolarHBondContact CD1-SD 3.36Å; I94-M308 HydrophobicContact CG1-SD 3.41Å; I94-M308 WeakPolarHBondContact CG1-SD 3.47Å; I94-M308 HydrophobicContact CG2-CE 4.05Å; I94-M308 HydrophobicContact CG2-SD 3.54Å; I94-M308 VanDerWaalsContact CG2-SD 3.54Å; I94-Y312 HydrophobicContact CD1-CE2 4.17Å; I94-Y312 WeakPolarHBondContact CD1-OH 3.31Å |
| 95 | M | 80.7 | Confident | 78.3 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 54% | 0.542 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | -177.8 | -64.1 | -148.1 | 176.3 | 0 | 0 | 111.3 | H93 M98 E99 | H93-M95 VanDerWaalsContact C-N 3.34Å; H93-M95 PolarHBondContact O-N 2.6Å; M95-M98 WeakPolarHBondContact O-CB 3.26Å; M95-M98 PolarHBondContact O-N 3.43Å; M95-E99 WeakPolarHBondContact O-CG 3.29Å; M95-E99 PolarHBondContact O-N 2.96Å |
| 96 | T | 85.8 | Confident | 79.9 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 40% | 0.399 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.7 | -48 | 0 | 0 | 0 | 0 | 112.1 | H93 I94 M98 E99 Q100 | H93-T96 PolarHBondContact O-N 3.47Å; I94-T96 VanDerWaalsContact C-N 3.33Å; I94-T96 PolarHBondContact O-N 2.84Å; T96-M98 VanDerWaalsContact C-N 3.34Å; T96-E99 PolarHBondContact O-N 3.34Å; T96-Q100 WeakPolarHBondContact O-CB 3.45Å; T96-Q100 VanDerWaalsContact O-CG 3.27Å; T96-Q100 WeakPolarHBondContact O-CG 3.49Å; T96-Q100 PolarHBondContact O-N 3.21Å |
| 97 | I | 83.6 | Confident | 81 | Confident | 16 Ų | 16 | 68 Ų | 68 | 8% | 0.082 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.9 | -67.3 | 165.2 | 0 | 0 | 0 | 110.2 | P89 H93 I94 Q100 L101 W301 | P89-I97 HydrophobicContact CB-CD1 4.34Å; H93-I97 VanDerWaalsContact O-CG1 3.32Å; H93-I97 WeakPolarHBondContact O-CG1 3.25Å; H93-I97 PolarHBondContact O-N 2.99Å; I94-I97 PolarHBondContact O-N 3.24Å; I97-Q100 PolarHBondContact O-N 3.13Å; I97-L101 HydrophobicContact CG2-CD1 3.77Å; I97-L101 HydrophobicContact CG2-CG 4.22Å; I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.43Å; I97-L101 PolarHBondContact O-N 2.99Å; I97-W301 HydrophobicContact CG2-CG 4.39Å |
| 98 | M | 85.5 | Confident | 82 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 18% | 0.177 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 177.8 | -171.2 | 177.1 | 69.5 | 0 | 0 | 112.1 | M61 I94 M95 T96 Q100 L101 Q102 | M61-M98 HydrophobicContact CE-CB 3.54Å; M61-M98 HydrophobicContact CE-CG 3.64Å; M61-M98 HydrophobicContact CE-SD 3.73Å; M61-M98 HydrophobicContact CG-CG 4.46Å; M61-M98 HydrophobicContact SD-CB 4.2Å; I94-M98 WeakPolarHBondContact O-CB 3.35Å; I94-M98 PolarHBondContact O-N 3.46Å; M95-M98 WeakPolarHBondContact O-CB 3.26Å; M95-M98 PolarHBondContact O-N 3.43Å; T96-M98 VanDerWaalsContact C-N 3.34Å; M98-Q100 VanDerWaalsContact C-N 3.3Å; M98-Q100 PolarHBondContact O-N 3.39Å; M98-L101 PolarHBondContact O-N 2.93Å; M98-Q102 HydrophobicContact CG-CG 4.5Å; M98-Q102 WeakPolarHBondContact O-CB 3.23Å; M98-Q102 WeakPolarHBondContact O-CG 3.38Å; M98-Q102 PolarHBondContact O-N 3.04Å |
| 99 | E | 88.8 | Confident | 83 | Confident | 123 Ų | 123 | 63.6 Ų | 63.6 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.3 | -41.3 | 178.1 | -74.4 | 172.3 | -173.8 | 0 | 0 | 111.5 | M95 T96 R103 | M95-E99 WeakPolarHBondContact O-CG 3.29Å; M95-E99 PolarHBondContact O-N 2.96Å; T96-E99 PolarHBondContact O-N 3.34Å; E99-R103 VanDerWaalsContact O-CB 3.24Å; E99-R103 WeakPolarHBondContact O-CB 3.44Å; E99-R103 PolarHBondContact O-N 3.42Å |
| 100 | Q | 87.1 | Confident | 83.8 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 175.9 | -73.3 | 177 | -10.9 | 0 | 0 | 112.2 | T96 I97 M98 R103 L104 | T96-Q100 WeakPolarHBondContact O-CB 3.45Å; T96-Q100 VanDerWaalsContact O-CG 3.27Å; T96-Q100 WeakPolarHBondContact O-CG 3.49Å; T96-Q100 PolarHBondContact O-N 3.21Å; I97-Q100 PolarHBondContact O-N 3.13Å; M98-Q100 VanDerWaalsContact C-N 3.3Å; M98-Q100 PolarHBondContact O-N 3.39Å; Q100-R103 PolarHBondContact O-N 3.25Å; Q100-L104 WeakPolarHBondContact O-CB 3.44Å; Q100-L104 VanDerWaalsContact O-CG 3.29Å; Q100-L104 WeakPolarHBondContact O-CG 3.24Å; Q100-L104 PolarHBondContact O-N 3.42Å |
| 101 | L | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | 179.2 | -74.1 | 174.5 | 0 | 0 | 0 | 112.1 | M61 I64 L65 L68 I97 M98 L104 E105 W301 | M61-L101 HydrophobicContact CB-CD1 4.09Å; M61-L101 HydrophobicContact CG-CD1 4.22Å; I64-L101 HydrophobicContact CG2-CB 4.19Å; L65-L101 HydrophobicContact CD1-CD1 4.27Å; L65-L101 HydrophobicContact CD2-CD1 4.35Å; L65-L101 HydrophobicContact CD2-CD2 3.61Å; L65-L101 HydrophobicContact CG-CD1 4.11Å; L65-L101 HydrophobicContact CG-CD2 4.1Å; L68-L101 HydrophobicContact CD1-CD2 4.11Å; I97-L101 HydrophobicContact CG2-CD1 3.77Å; I97-L101 HydrophobicContact CG2-CG 4.22Å; I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 VanDerWaalsContact O-CG 3.31Å; I97-L101 WeakPolarHBondContact O-CG 3.43Å; I97-L101 PolarHBondContact O-N 2.99Å; M98-L101 PolarHBondContact O-N 2.93Å; L101-L104 PolarHBondContact O-N 3.29Å; L101-E105 PolarHBondContact O-N 2.85Å; L101-W301 HydrophobicContact CD2-CD2 4.29Å; L101-W301 HydrophobicContact CD2-CE3 3.73Å; L101-W301 HydrophobicContact CD2-CZ3 4.08Å |
| 102 | Q | 89.1 | Confident | 85.2 | Confident | 68 Ų | 68 | 65.3 Ų | 65.3 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.7 | -74.8 | 178.6 | -21.8 | 0 | 0 | 111.3 | I64 M98 L104 E105 V106 | I64-Q102 HydrophobicContact CD1-CG 4.08Å; M98-Q102 HydrophobicContact CG-CG 4.5Å; M98-Q102 WeakPolarHBondContact O-CB 3.23Å; M98-Q102 WeakPolarHBondContact O-CG 3.38Å; M98-Q102 PolarHBondContact O-N 3.04Å; Q102-L104 PolarHBondContact O-N 3.01Å; Q102-E105 PolarHBondContact O-N 3.41Å; Q102-V106 WeakPolarHBondContact O-CG2 3.44Å; Q102-V106 PolarHBondContact O-N 2.95Å |
| 103 | R | 89.5 | Confident | 85.9 | Confident | 169 Ų | 169 | 64.5 Ų | 64.5 | 64% | 0.638 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 175 | -178.5 | 176.6 | 174.8 | 168.1 | 2.8 | 111.7 | E99 Q100 V106 E107 | E99-R103 VanDerWaalsContact O-CB 3.24Å; E99-R103 WeakPolarHBondContact O-CB 3.44Å; E99-R103 PolarHBondContact O-N 3.42Å; Q100-R103 PolarHBondContact O-N 3.25Å; R103-V106 PolarHBondContact O-N 3.3Å; R103-E107 HydrophobicContact CG-CG 4.42Å; R103-E107 WeakPolarHBondContact CG-OE1 3.31Å; R103-E107 IonicContact CZ-OE1 2.76Å; R103-E107 IonicContact NE-OE1 2.63Å; R103-E107 PolarHBondContact NE-OE1 2.8Å; R103-E107 IonicContact NH2-OE1 2.72Å; R103-E107 PolarHBondContact NH2-OE1 2.86Å; R103-E107 WeakPolarHBondContact O-CB 3.49Å; R103-E107 WeakPolarHBondContact O-CG 3.22Å; R103-E107 PolarHBondContact O-N 3.33Å |
| 104 | L | 86.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 177 | -74.3 | 170.5 | 0 | 0 | 0 | 112.3 | Q100 L101 Q102 L108 V290 W301 | Q100-L104 WeakPolarHBondContact O-CB 3.44Å; Q100-L104 VanDerWaalsContact O-CG 3.29Å; Q100-L104 WeakPolarHBondContact O-CG 3.24Å; Q100-L104 PolarHBondContact O-N 3.42Å; L101-L104 PolarHBondContact O-N 3.29Å; Q102-L104 PolarHBondContact O-N 3.01Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 PolarHBondContact O-N 2.88Å; L104-V290 HydrophobicContact CD2-CG1 4.45Å; L104-W301 HydrophobicContact CD1-CH2 3.79Å; L104-W301 HydrophobicContact CD1-CZ3 3.84Å |
| 105 | E | 87.4 | Confident | 87.1 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 20% | 0.201 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 175.3 | -173.2 | -177.4 | -157.3 | 0 | 0 | 111.3 | R63 I64 L101 Q102 G109 | R63-E105 IonicContact CZ-OE1 3.62Å; R63-E105 VanDerWaalsContact CZ-OE1 3.32Å; R63-E105 IonicContact NH1-OE1 3.58Å; R63-E105 PolarHBondContact NH1-OE1 3.34Å; R63-E105 IonicContact NH2-OE1 2.79Å; R63-E105 PolarHBondContact NH2-OE1 3.41Å; R63-E105 IonicContact NH2-OE2 3.28Å; R63-E105 PolarHBondContact NH2-OE2 2.96Å; I64-E105 WeakPolarHBondContact CD1-OE2 3.41Å; I64-E105 VanDerWaalsContact CG1-OE2 3.31Å; I64-E105 WeakPolarHBondContact CG1-OE2 3.37Å; I64-E105 HydrophobicContact CG2-CB 3.94Å; I64-E105 HydrophobicContact CG2-CG 4.4Å; L101-E105 PolarHBondContact O-N 2.85Å; Q102-E105 PolarHBondContact O-N 3.41Å; E105-G109 WeakPolarHBondContact O-CA 3.48Å; E105-G109 PolarHBondContact O-N 3.26Å |
| 106 | V | 90.1 | Very high | 87.3 | Confident | 82 Ų | 82 | 64.3 Ų | 64.3 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -49.6 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | Q102 R103 L108 G109 E110 | Q102-V106 WeakPolarHBondContact O-CG2 3.44Å; Q102-V106 PolarHBondContact O-N 2.95Å; R103-V106 PolarHBondContact O-N 3.3Å; V106-L108 VanDerWaalsContact C-N 3.34Å; V106-L108 PolarHBondContact O-N 2.95Å; V106-G109 PolarHBondContact O-N 3.45Å; V106-E110 HydrophobicContact CG1-CG 4.49Å; V106-E110 WeakPolarHBondContact O-CB 3.43Å; V106-E110 WeakPolarHBondContact O-CG 3.34Å; V106-E110 PolarHBondContact O-N 2.99Å |
| 107 | E | 87.4 | Confident | 87.4 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 178.4 | -73.8 | 178.1 | -171.9 | 0 | 0 | 111.2 | R103 V111 | R103-E107 HydrophobicContact CG-CG 4.42Å; R103-E107 WeakPolarHBondContact CG-OE1 3.31Å; R103-E107 IonicContact CZ-OE1 2.76Å; R103-E107 IonicContact NE-OE1 2.63Å; R103-E107 PolarHBondContact NE-OE1 2.8Å; R103-E107 IonicContact NH2-OE1 2.72Å; R103-E107 PolarHBondContact NH2-OE1 2.86Å; R103-E107 WeakPolarHBondContact O-CB 3.49Å; R103-E107 WeakPolarHBondContact O-CG 3.22Å; R103-E107 PolarHBondContact O-N 3.33Å; E107-V111 VanDerWaalsContact O-CG2 3.23Å; E107-V111 WeakPolarHBondContact O-CG2 3.36Å; E107-V111 PolarHBondContact O-N 3.42Å; E107-V111 VanDerWaalsContact O-N 3.09Å |
| 108 | L | 86 | Confident | 87.7 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 178.9 | -166.1 | 70.9 | 0 | 0 | 0 | 111.7 | Y67 L68 E71 L104 V106 E110 V111 T112 L287 L291 | Y67-L108 HydrophobicContact CE1-CD2 3.92Å; L68-L108 HydrophobicContact CD2-CD2 3.52Å; E71-L108 HydrophobicContact CB-CD2 4.17Å; E71-L108 HydrophobicContact CG-CD2 4.09Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 PolarHBondContact O-N 2.88Å; V106-L108 VanDerWaalsContact C-N 3.34Å; V106-L108 PolarHBondContact O-N 2.95Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 2.92Å; L108-V111 PolarHBondContact O-N 3.22Å; L108-T112 WeakPolarHBondContact O-CB 3.48Å; L108-T112 PolarHBondContact O-N 3.08Å; L108-T112 PolarHBondContact O-OG1 3.42Å; L108-L287 HydrophobicContact CD1-CD1 3.23Å; L108-L287 HydrophobicContact CG-CD1 4.42Å; L108-L291 HydrophobicContact CD1-CD2 4.02Å; L108-L291 HydrophobicContact CD1-CG 4.37Å; L108-L291 HydrophobicContact CD2-CD2 4.25Å |
| 109 | G | 86.9 | Confident | 87.7 | Confident | 15 Ų | 15 | 69.7 Ų | 69.7 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E105 V106 R113 | E105-G109 WeakPolarHBondContact O-CA 3.48Å; E105-G109 PolarHBondContact O-N 3.26Å; V106-G109 PolarHBondContact O-N 3.45Å; G109-R113 WeakPolarHBondContact O-CB 3.44Å; G109-R113 VanDerWaalsContact O-CG 3.23Å; G109-R113 WeakPolarHBondContact O-CG 3.44Å; G109-R113 PolarHBondContact O-N 3.37Å |
| 110 | E | 88.9 | Confident | 87.6 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 174.8 | -73.9 | 178.2 | -176.5 | 0 | 0 | 112 | V106 L108 T112 R113 N114 | V106-E110 HydrophobicContact CG1-CG 4.49Å; V106-E110 WeakPolarHBondContact O-CB 3.43Å; V106-E110 WeakPolarHBondContact O-CG 3.34Å; V106-E110 PolarHBondContact O-N 2.99Å; L108-E110 VanDerWaalsContact C-N 3.34Å; L108-E110 PolarHBondContact O-N 2.92Å; E110-T112 PolarHBondContact O-N 3.38Å; E110-R113 PolarHBondContact O-N 3.04Å; E110-N114 WeakPolarHBondContact O-CB 3.39Å; E110-N114 PolarHBondContact O-N 3.19Å; E110-N114 PolarHBondContact O-ND2 3.37Å |
| 111 | V | 87.6 | Confident | 87.7 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | E107 L108 N114 K115 Y286 L287 | E107-V111 VanDerWaalsContact O-CG2 3.23Å; E107-V111 WeakPolarHBondContact O-CG2 3.36Å; E107-V111 PolarHBondContact O-N 3.42Å; E107-V111 VanDerWaalsContact O-N 3.09Å; L108-V111 PolarHBondContact O-N 3.22Å; V111-N114 PolarHBondContact O-N 3.39Å; V111-K115 WeakPolarHBondContact O-CB 3.36Å; V111-K115 PolarHBondContact O-N 2.88Å; V111-Y286 HydrophobicContact CG1-CD1 4.47Å; V111-Y286 HydrophobicContact CG2-CD1 3.99Å; V111-Y286 HydrophobicContact CG2-CE1 3.82Å; V111-L287 HydrophobicContact CG1-CB 4Å; V111-L287 HydrophobicContact CG1-CD1 4.03Å |
| 112 | T | 85.8 | Confident | 87.7 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 178 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | L108 E110 N114 K115 E116 | L108-T112 WeakPolarHBondContact O-CB 3.48Å; L108-T112 PolarHBondContact O-N 3.08Å; L108-T112 PolarHBondContact O-OG1 3.42Å; E110-T112 PolarHBondContact O-N 3.38Å; T112-N114 VanDerWaalsContact C-N 3.34Å; T112-N114 PolarHBondContact O-N 2.88Å; T112-K115 WeakPolarHBondContact O-CB 3.31Å; T112-K115 PolarHBondContact O-N 3.33Å; T112-E116 WeakPolarHBondContact O-CG 3.44Å; T112-E116 PolarHBondContact O-N 2.93Å |
| 113 | R | 88.4 | Confident | 87.5 | Confident | 158 Ų | 158 | 66.6 Ų | 66.6 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 174.4 | -74.7 | 172.4 | -175.7 | 160.9 | 3.3 | 112.2 | G109 E110 K115 E116 M117 | G109-R113 WeakPolarHBondContact O-CB 3.44Å; G109-R113 VanDerWaalsContact O-CG 3.23Å; G109-R113 WeakPolarHBondContact O-CG 3.44Å; G109-R113 PolarHBondContact O-N 3.37Å; E110-R113 PolarHBondContact O-N 3.04Å; R113-K115 VanDerWaalsContact C-N 3.32Å; R113-K115 PolarHBondContact O-N 3.48Å; R113-E116 PolarHBondContact O-N 3.29Å; R113-M117 WeakPolarHBondContact O-CG 3.31Å; R113-M117 PolarHBondContact O-N 3.05Å |
| 114 | N | 89 | Confident | 87.3 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 46% | 0.46 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.3 | -70.7 | -22.6 | 0 | 0 | 0 | 111.3 | E110 V111 T112 M117 L118 | E110-N114 WeakPolarHBondContact O-CB 3.39Å; E110-N114 PolarHBondContact O-N 3.19Å; E110-N114 PolarHBondContact O-ND2 3.37Å; V111-N114 PolarHBondContact O-N 3.39Å; T112-N114 VanDerWaalsContact C-N 3.34Å; T112-N114 PolarHBondContact O-N 2.88Å; N114-M117 PolarHBondContact O-N 3.12Å; N114-L118 WeakPolarHBondContact O-CB 3.39Å; N114-L118 VanDerWaalsContact O-CG 3.23Å; N114-L118 WeakPolarHBondContact O-CG 3.36Å; N114-L118 PolarHBondContact O-N 2.88Å |
| 115 | K | 86.6 | Confident | 87.3 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 173.9 | -179.4 | -178.9 | 177.5 | 170.1 | 0 | 111.2 | V111 T112 R113 M117 L118 Q119 E284 L287 | V111-K115 WeakPolarHBondContact O-CB 3.36Å; V111-K115 PolarHBondContact O-N 2.88Å; T112-K115 WeakPolarHBondContact O-CB 3.31Å; T112-K115 PolarHBondContact O-N 3.33Å; R113-K115 VanDerWaalsContact C-N 3.32Å; R113-K115 PolarHBondContact O-N 3.48Å; K115-M117 PolarHBondContact O-N 3.02Å; K115-L118 PolarHBondContact O-N 2.88Å; K115-Q119 HydrophobicContact CG-CG 4.43Å; K115-Q119 WeakPolarHBondContact O-CG 3.27Å; K115-Q119 PolarHBondContact O-N 2.96Å; K115-E284 HydrophobicContact CD-CG 4.31Å; K115-E284 WeakPolarHBondContact CE-OE1 3.48Å; K115-E284 IonicContact NZ-OE1 3.88Å; K115-E284 PolarHBondContact NZ-OE1 3.37Å; K115-L287 HydrophobicContact CD-CD2 4.3Å |
| 116 | E | 86.4 | Confident | 87.2 | Confident | 112 Ų | 112 | 61 Ų | 61 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 177.9 | -72.4 | 169.5 | -176.6 | 0 | 0 | 111.5 | T112 R113 L118 Q119 K120 | T112-E116 WeakPolarHBondContact O-CG 3.44Å; T112-E116 PolarHBondContact O-N 2.93Å; R113-E116 PolarHBondContact O-N 3.29Å; E116-L118 PolarHBondContact O-N 3.2Å; E116-Q119 PolarHBondContact O-N 3.11Å; E116-K120 WeakPolarHBondContact O-CB 3.36Å; E116-K120 PolarHBondContact O-N 3.46Å |
| 117 | M | 88.1 | Confident | 86.9 | Confident | 116 Ų | 116 | 57.7 Ų | 57.7 | 57% | 0.571 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 175.2 | -71 | -171.5 | -155.2 | 0 | 0 | 112.3 | R113 N114 K115 K120 N121 | R113-M117 WeakPolarHBondContact O-CG 3.31Å; R113-M117 PolarHBondContact O-N 3.05Å; N114-M117 PolarHBondContact O-N 3.12Å; K115-M117 PolarHBondContact O-N 3.02Å; M117-K120 PolarHBondContact O-N 2.82Å; M117-N121 WeakPolarHBondContact O-CB 3.49Å; M117-N121 PolarHBondContact O-N 3.33Å; M117-N121 PolarHBondContact O-ND2 2.89Å |
| 118 | L | 88.4 | Confident | 86.8 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 177.1 | -73.8 | 168.8 | 0 | 0 | 0 | 111.9 | N114 K115 E116 N121 L122 L276 V279 L280 T283 | N114-L118 WeakPolarHBondContact O-CB 3.39Å; N114-L118 VanDerWaalsContact O-CG 3.23Å; N114-L118 WeakPolarHBondContact O-CG 3.36Å; N114-L118 PolarHBondContact O-N 2.88Å; K115-L118 PolarHBondContact O-N 2.88Å; E116-L118 PolarHBondContact O-N 3.2Å; L118-N121 PolarHBondContact O-N 3.46Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 PolarHBondContact O-N 3Å; L118-L276 HydrophobicContact CD2-CD2 3.64Å; L118-V279 HydrophobicContact CD1-CG1 3.86Å; L118-V279 HydrophobicContact CD2-CG1 4.32Å; L118-L280 HydrophobicContact CB-CD1 4.11Å; L118-T283 HydrophobicContact CD1-CG2 4.06Å |
| 119 | Q | 86.8 | Confident | 86.8 | Confident | 85 Ų | 85 | 57 Ų | 57 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.6 | -74.5 | -179.9 | -42.8 | 0 | 0 | 111.3 | K115 E116 L122 L123 L280 | K115-Q119 HydrophobicContact CG-CG 4.43Å; K115-Q119 WeakPolarHBondContact O-CG 3.27Å; K115-Q119 PolarHBondContact O-N 2.96Å; E116-Q119 PolarHBondContact O-N 3.11Å; Q119-L122 PolarHBondContact O-N 3.02Å; Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 PolarHBondContact O-N 3.22Å; Q119-L280 HydrophobicContact CG-CD1 3.65Å |
| 120 | K | 86.4 | Confident | 86.5 | Confident | 102 Ų | 102 | 57.4 Ų | 57.4 | 44% | 0.443 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 175.6 | -174.1 | 174.8 | 179.6 | 170.3 | 0 | 112.1 | E116 M117 L122 L123 E124 | E116-K120 WeakPolarHBondContact O-CB 3.36Å; E116-K120 PolarHBondContact O-N 3.46Å; M117-K120 PolarHBondContact O-N 2.82Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 3.29Å; K120-L123 WeakPolarHBondContact O-CB 3.26Å; K120-L123 PolarHBondContact O-N 3.44Å; K120-E124 WeakPolarHBondContact CE-OE1 3.1Å; K120-E124 WeakPolarHBondContact O-CG 3.34Å; K120-E124 PolarHBondContact O-N 2.92Å |
| 121 | N | 88.3 | Confident | 86.3 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 38% | 0.38 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 177.1 | -68.6 | -20.6 | 0 | 0 | 0 | 112 | M117 L118 L125 | M117-N121 WeakPolarHBondContact O-CB 3.49Å; M117-N121 PolarHBondContact O-N 3.33Å; M117-N121 PolarHBondContact O-ND2 2.89Å; L118-N121 PolarHBondContact O-N 3.46Å; N121-L125 VanDerWaalsContact O-CG 3.27Å; N121-L125 WeakPolarHBondContact O-CG 3.38Å; N121-L125 PolarHBondContact O-N 3.44Å; N121-L125 VanDerWaalsContact O-N 3.15Å |
| 122 | L | 87 | Confident | 86 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.12 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.4 | -166.8 | 157 | 0 | 0 | 0 | 110.3 | L118 Q119 K120 E124 L125 T126 | L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.33Å; L118-L122 PolarHBondContact O-N 3Å; Q119-L122 PolarHBondContact O-N 3.02Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 3.29Å; L122-E124 PolarHBondContact O-N 2.91Å; L122-L125 PolarHBondContact O-N 3.29Å; L122-T126 HydrophobicContact CD2-CG2 3.67Å; L122-T126 WeakPolarHBondContact O-CG2 3.34Å; L122-T126 PolarHBondContact O-N 3.18Å; L122-T126 PolarHBondContact O-OG1 3.2Å |
| 123 | L | 84.9 | Confident | 85.8 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.3 | -52.3 | 176.1 | -174 | 71.6 | 0 | 0 | 0 | 111 | Q119 K120 L125 T126 E127 L214 E215 P217 | Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 PolarHBondContact O-N 3.22Å; K120-L123 WeakPolarHBondContact O-CB 3.26Å; K120-L123 PolarHBondContact O-N 3.44Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.14Å; L123-T126 WeakPolarHBondContact CA-OG1 3.48Å; L123-T126 PolarHBondContact O-N 3.3Å; L123-T126 VanDerWaalsContact O-N 3.08Å; L123-T126 PolarHBondContact O-OG1 3.42Å; L123-E127 HydrophobicContact CG-CG 4.46Å; L123-E127 WeakPolarHBondContact O-CG 3.46Å; L123-E127 PolarHBondContact O-N 3.06Å; L123-L214 HydrophobicContact CD1-CB 4.29Å; L123-L214 HydrophobicContact CD1-CD2 4.15Å; L123-E215 WeakPolarHBondContact CD2-O 3.42Å; L123-P217 HydrophobicContact CD2-CB 4.24Å; L123-P217 HydrophobicContact CD2-CG 3.98Å |
| 124 | E | 85.8 | Confident | 85.4 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.7 | -40.1 | 178.7 | -71.4 | 176 | -172.7 | 0 | 0 | 112.5 | K120 L122 Y128 Y253 | K120-E124 WeakPolarHBondContact CE-OE1 3.1Å; K120-E124 WeakPolarHBondContact O-CG 3.34Å; K120-E124 PolarHBondContact O-N 2.92Å; L122-E124 PolarHBondContact O-N 2.91Å; E124-Y128 WeakPolarHBondContact O-CB 3.41Å; E124-Y128 PolarHBondContact O-N 3.08Å; E124-Y253 PolarHBondContact O-OH 2.88Å |
| 125 | L | 86.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73 | -37 | 177.8 | -67.1 | 169 | 0 | 0 | 0 | 112.9 | N121 L122 L123 Y128 T129 L269 R272 I273 L276 | N121-L125 VanDerWaalsContact O-CG 3.27Å; N121-L125 WeakPolarHBondContact O-CG 3.38Å; N121-L125 PolarHBondContact O-N 3.44Å; N121-L125 VanDerWaalsContact O-N 3.15Å; L122-L125 PolarHBondContact O-N 3.29Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.14Å; L125-Y128 PolarHBondContact O-N 2.77Å; L125-T129 PolarHBondContact O-N 3.09Å; L125-T129 PolarHBondContact O-OG1 2.93Å; L125-L269 HydrophobicContact CD2-CD2 3.54Å; L125-R272 HydrophobicContact CD1-CB 4.39Å; L125-I273 HydrophobicContact CB-CD1 4.13Å; L125-I273 HydrophobicContact CB-CG1 3.75Å; L125-I273 HydrophobicContact CD1-CG1 4.44Å; L125-L276 HydrophobicContact CD1-CD1 3.27Å |
| 126 | T | 84.6 | Confident | 84 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 174.5 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | L122 L123 Y128 T129 H130 I273 | L122-T126 HydrophobicContact CD2-CG2 3.67Å; L122-T126 WeakPolarHBondContact O-CG2 3.34Å; L122-T126 PolarHBondContact O-N 3.18Å; L122-T126 PolarHBondContact O-OG1 3.2Å; L123-T126 WeakPolarHBondContact CA-OG1 3.48Å; L123-T126 PolarHBondContact O-N 3.3Å; L123-T126 VanDerWaalsContact O-N 3.08Å; L123-T126 PolarHBondContact O-OG1 3.42Å; T126-Y128 VanDerWaalsContact C-N 3.29Å; T126-Y128 PolarHBondContact O-N 3.43Å; T126-T129 WeakPolarHBondContact O-CA 3.44Å; T126-T129 WeakPolarHBondContact O-CB 3.42Å; T126-T129 PolarHBondContact O-N 2.9Å; T126-H130 PolarHBondContact O-CD2 3.18Å; T126-H130 PolarHBondContact O-N 2.67Å; T126-I273 HydrophobicContact CG2-CD1 4.44Å |
| 127 | E | 84.2 | Confident | 83.2 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.5 | -47.6 | 173.6 | -75.2 | -176.7 | 176.2 | 0 | 0 | 111.4 | L123 T129 H130 M131 L182 L214 H251 Y253 | L123-E127 HydrophobicContact CG-CG 4.46Å; L123-E127 WeakPolarHBondContact O-CG 3.46Å; L123-E127 PolarHBondContact O-N 3.06Å; E127-T129 VanDerWaalsContact C-N 3.29Å; E127-T129 PolarHBondContact O-N 2.97Å; E127-H130 PolarHBondContact O-N 2.76Å; E127-M131 VanDerWaalsContact O-CB 3.29Å; E127-M131 WeakPolarHBondContact O-CB 3.45Å; E127-M131 PolarHBondContact O-N 2.88Å; E127-L182 HydrophobicContact CG-CD2 3.87Å; E127-L214 HydrophobicContact CG-CD1 3.88Å; E127-H251 IonicContact OE2-CG 3.81Å; E127-Y253 HydrophobicContact CB-CE2 4Å; E127-Y253 PolarHBondContact OE2-OH 2.98Å |
| 128 | Y | 86.3 | Confident | 82.3 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 179.2 | -172.3 | -149.5 | 0 | 0 | 0 | 112 | E124 L125 T126 M131 L132 Y253 P254 V265 L269 | E124-Y128 WeakPolarHBondContact O-CB 3.41Å; E124-Y128 PolarHBondContact O-N 3.08Å; L125-Y128 PolarHBondContact O-N 2.77Å; T126-Y128 VanDerWaalsContact C-N 3.29Å; T126-Y128 PolarHBondContact O-N 3.43Å; Y128-M131 HydrophobicContact CD2-SD 3.95Å; Y128-M131 HydrophobicContact CE2-SD 4.06Å; Y128-M131 PolarHBondContact O-N 3.4Å; Y128-L132 HydrophobicContact CD2-CD1 4.3Å; Y128-L132 HydrophobicContact CD2-CG 4.16Å; Y128-L132 HydrophobicContact CE1-CD1 4.31Å; Y128-L132 HydrophobicContact CE2-CD1 3.94Å; Y128-L132 HydrophobicContact CE2-CD2 4.08Å; Y128-L132 HydrophobicContact CE2-CG 3.89Å; Y128-L132 WeakPolarHBondContact O-CG 3.29Å; Y128-L132 PolarHBondContact O-N 2.94Å; Y128-Y253 VanDerWaalsContact CD2-CB 3.47Å; Y128-Y253 AromaticContact CD2-CD1 3.91Å; Y128-Y253 HydrophobicContact CD2-CD1 3.91Å; Y128-Y253 HydrophobicContact CD2-CD2 4.38Å; Y128-Y253 AromaticContact CD2-CG 3.67Å; Y128-Y253 HydrophobicContact CD2-CG 3.67Å; Y128-Y253 HydrophobicContact CE2-CG 4.33Å; Y128-Y253 AromaticContact CG-CD1 3.94Å; Y128-Y253 HydrophobicContact CG-CD1 3.94Å; Y128-Y253 HydrophobicContact CG-CE1 4.5Å; Y128-Y253 HydrophobicContact CG-CG 4.15Å; Y128-P254 PolarHBondContact OH-O 3.25Å; Y128-V265 HydrophobicContact CE1-CG1 3.85Å; Y128-L269 HydrophobicContact CD1-CD1 3.32Å; Y128-L269 HydrophobicContact CD1-CD2 3.65Å; Y128-L269 HydrophobicContact CD1-CG 4.07Å; Y128-L269 HydrophobicContact CE1-CD1 3.63Å; Y128-L269 HydrophobicContact CE1-CD2 4.14Å; Y128-L269 HydrophobicContact CE1-CG 4.34Å; Y128-L269 HydrophobicContact CG-CD1 4.02Å |
| 129 | T | 85.1 | Confident | 81.2 | Confident | 16 Ų | 16 | 44.9 Ų | 44.9 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 176.2 | -58 | 0 | 0 | 0 | 0 | 112.1 | L125 T126 E127 M131 L132 R133 I273 | L125-T129 PolarHBondContact O-N 3.09Å; L125-T129 PolarHBondContact O-OG1 2.93Å; T126-T129 WeakPolarHBondContact O-CA 3.44Å; T126-T129 WeakPolarHBondContact O-CB 3.42Å; T126-T129 PolarHBondContact O-N 2.9Å; E127-T129 VanDerWaalsContact C-N 3.29Å; E127-T129 PolarHBondContact O-N 2.97Å; T129-M131 VanDerWaalsContact C-N 3.33Å; T129-L132 PolarHBondContact O-N 3.34Å; T129-R133 WeakPolarHBondContact O-CB 3.07Å; T129-R133 PolarHBondContact O-N 3.12Å; T129-I273 WeakPolarHBondContact OG1-CD1 3.49Å |
| 130 | H | 81.8 | Confident | 80.1 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 11% | 0.111 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 175.3 | -73.7 | -72.8 | 0 | 0 | 0 | 111.3 | T126 E127 R133 I134 E212 | T126-H130 PolarHBondContact O-CD2 3.18Å; T126-H130 PolarHBondContact O-N 2.67Å; E127-H130 PolarHBondContact O-N 2.76Å; H130-R133 PolarHBondContact O-N 2.82Å; H130-I134 WeakPolarHBondContact O-CB 3.39Å; H130-I134 WeakPolarHBondContact O-CG1 3.49Å; H130-I134 PolarHBondContact O-N 2.69Å; H130-E212 IonicContact CE1-OE1 3.3Å; H130-E212 IonicContact CE1-OE2 3.79Å; H130-E212 PolarHBondContact CE1-OE2 3.43Å; H130-E212 IonicContact NE2-OE2 3.05Å; H130-E212 PolarHBondContact NE2-OE2 3.11Å |
| 131 | M | 83.6 | Confident | 78.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 176.1 | 178.3 | -108 | 121.1 | 0 | 0 | 112 | E127 Y128 T129 R133 I134 T135 S180 V227 Y255 | E127-M131 VanDerWaalsContact O-CB 3.29Å; E127-M131 WeakPolarHBondContact O-CB 3.45Å; E127-M131 PolarHBondContact O-N 2.88Å; Y128-M131 HydrophobicContact CD2-SD 3.95Å; Y128-M131 HydrophobicContact CE2-SD 4.06Å; Y128-M131 PolarHBondContact O-N 3.4Å; T129-M131 VanDerWaalsContact C-N 3.33Å; M131-R133 VanDerWaalsContact C-N 3.34Å; M131-R133 PolarHBondContact O-N 3.02Å; M131-I134 PolarHBondContact O-N 3.44Å; M131-T135 HydrophobicContact CE-CG2 3.57Å; M131-T135 WeakPolarHBondContact O-CB 3.45Å; M131-T135 VanDerWaalsContact O-CG2 3.32Å; M131-T135 WeakPolarHBondContact O-CG2 3.32Å; M131-T135 PolarHBondContact O-N 2.89Å; M131-T135 PolarHBondContact O-OG1 3.49Å; M131-S180 WeakPolarHBondContact CE-OG 3.41Å; M131-S180 PolarHBondContact SD-OG 3.38Å; M131-S180 VanDerWaalsContact SD-OG 3.41Å; M131-V227 HydrophobicContact CB-CG1 4.22Å; M131-V227 HydrophobicContact CB-CG2 4.29Å; M131-V227 HydrophobicContact CG-CG1 3.86Å; M131-Y255 HydrophobicContact CE-CD2 3.88Å |
| 132 | L | 81.1 | Confident | 77.2 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -35.8 | 176 | -69.1 | 176.4 | 0 | 0 | 0 | 112.7 | Y128 T129 T135 R136 R262 V265 V266 L269 | Y128-L132 HydrophobicContact CD2-CD1 4.3Å; Y128-L132 HydrophobicContact CD2-CG 4.16Å; Y128-L132 HydrophobicContact CE1-CD1 4.31Å; Y128-L132 HydrophobicContact CE2-CD1 3.94Å; Y128-L132 HydrophobicContact CE2-CD2 4.08Å; Y128-L132 HydrophobicContact CE2-CG 3.89Å; Y128-L132 WeakPolarHBondContact O-CG 3.29Å; Y128-L132 PolarHBondContact O-N 2.94Å; T129-L132 PolarHBondContact O-N 3.34Å; L132-T135 WeakPolarHBondContact CA-OG1 3.26Å; L132-T135 PolarHBondContact O-OG1 3.31Å; L132-R136 PolarHBondContact O-N 2.81Å; L132-R262 HydrophobicContact CD2-CG 4.18Å; L132-V265 HydrophobicContact CD1-CG1 3.95Å; L132-V266 HydrophobicContact CB-CG2 4.12Å; L132-V266 HydrophobicContact CD1-CG2 3.78Å; L132-L269 HydrophobicContact CD1-CD1 3.86Å |
| 133 | R | 81.3 | Confident | 75.5 | Confident | 145 Ų | 145 | 53.5 Ų | 53.5 | 55% | 0.547 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 176.7 | -173.5 | -175.8 | -67.5 | 174.8 | 1.8 | 111.9 | T129 H130 M131 R136 | T129-R133 WeakPolarHBondContact O-CB 3.07Å; T129-R133 PolarHBondContact O-N 3.12Å; H130-R133 PolarHBondContact O-N 2.82Å; M131-R133 VanDerWaalsContact C-N 3.34Å; M131-R133 PolarHBondContact O-N 3.02Å; R133-R136 WeakPolarHBondContact O-CB 3.16Å |
| 134 | I | 79.9 | Confident | 73.7 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.4 | -40.7 | -177 | -68.7 | 171.2 | 0 | 0 | 0 | 110.7 | H130 M131 R136 S137 F138 A208 V210 V227 | H130-I134 WeakPolarHBondContact O-CB 3.39Å; H130-I134 WeakPolarHBondContact O-CG1 3.49Å; H130-I134 PolarHBondContact O-N 2.69Å; M131-I134 PolarHBondContact O-N 3.44Å; I134-R136 VanDerWaalsContact C-N 3.26Å; I134-R136 PolarHBondContact O-N 2.96Å; I134-S137 WeakPolarHBondContact O-CB 3.23Å; I134-S137 PolarHBondContact O-N 3.45Å; I134-S137 PolarHBondContact O-OG 3.46Å; I134-F138 HydrophobicContact CG2-CE2 3.7Å; I134-F138 HydrophobicContact CG2-CZ 3.83Å; I134-F138 PolarHBondContact O-N 2.87Å; I134-A208 HydrophobicContact CG2-CB 3.79Å; I134-V210 HydrophobicContact CD1-CB 4.4Å; I134-V210 HydrophobicContact CD1-CG2 3.8Å; I134-V227 HydrophobicContact CB-CB 4.48Å; I134-V227 HydrophobicContact CD1-CB 4.38Å; I134-V227 HydrophobicContact CD1-CG2 3.91Å; I134-V227 HydrophobicContact CG2-CB 4.2Å; I134-V227 HydrophobicContact CG2-CG1 4.36Å |
| 135 | T | 73.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.7 | -31.3 | 177.3 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | M131 L132 S137 F138 V139 V227 L229 | M131-T135 HydrophobicContact CE-CG2 3.57Å; M131-T135 WeakPolarHBondContact O-CB 3.45Å; M131-T135 VanDerWaalsContact O-CG2 3.32Å; M131-T135 WeakPolarHBondContact O-CG2 3.32Å; M131-T135 PolarHBondContact O-N 2.89Å; M131-T135 PolarHBondContact O-OG1 3.49Å; L132-T135 WeakPolarHBondContact CA-OG1 3.26Å; L132-T135 PolarHBondContact O-OG1 3.31Å; T135-S137 PolarHBondContact O-N 3.35Å; T135-F138 HydrophobicContact CG2-CD2 4.34Å; T135-F138 PolarHBondContact O-N 3.5Å; T135-F138 VanDerWaalsContact O-N 3.16Å; T135-V139 PolarHBondContact O-N 2.91Å; T135-V139 VanDerWaalsContact O-N 3.16Å; T135-V227 HydrophobicContact CG2-CG1 4.25Å; T135-L229 HydrophobicContact CG2-CB 4.26Å; T135-L229 HydrophobicContact CG2-CD1 4.43Å |
| 136 | R | 73.5 | Confident | 69.2 | Low | 127 Ų | 127 | 73.8 Ų | 73.8 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55 | -40.6 | 170 | -179.5 | 178.9 | 174.1 | 156 | -0.4 | 112.1 | L132 R133 I134 F138 V139 Q140 | L132-R136 PolarHBondContact O-N 2.81Å; R133-R136 WeakPolarHBondContact O-CB 3.16Å; I134-R136 VanDerWaalsContact C-N 3.26Å; I134-R136 PolarHBondContact O-N 2.96Å; R136-F138 PolarHBondContact O-N 3.02Å; R136-V139 PolarHBondContact O-N 3.08Å; R136-Q140 PolarHBondContact O-N 3.44Å |
| 137 | S | 68.8 | Low | 67.2 | Low | 42 Ų | 42 | 78.2 Ų | 78.2 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 179.4 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | I134 T135 R141 | I134-S137 WeakPolarHBondContact O-CB 3.23Å; I134-S137 PolarHBondContact O-N 3.45Å; I134-S137 PolarHBondContact O-OG 3.46Å; T135-S137 PolarHBondContact O-N 3.35Å; S137-R141 WeakPolarHBondContact O-CB 3.36Å; S137-R141 PolarHBondContact O-N 2.89Å |
| 138 | F | 69.4 | Low | 64.8 | Low | 19 Ų | 19 | 86.2 Ų | 86.2 | 8% | 0.083 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69 | -41.9 | 176.1 | -62 | -47.6 | 0 | 0 | 0 | 112.4 | I134 T135 R136 R141 N142 A208 L229 | I134-F138 HydrophobicContact CG2-CE2 3.7Å; I134-F138 HydrophobicContact CG2-CZ 3.83Å; I134-F138 PolarHBondContact O-N 2.87Å; T135-F138 HydrophobicContact CG2-CD2 4.34Å; T135-F138 PolarHBondContact O-N 3.5Å; T135-F138 VanDerWaalsContact O-N 3.16Å; R136-F138 PolarHBondContact O-N 3.02Å; F138-R141 PolarHBondContact O-N 3.2Å; F138-N142 WeakPolarHBondContact O-CB 3.46Å; F138-N142 PolarHBondContact O-N 3.13Å; F138-A208 HydrophobicContact CE1-CB 3.75Å; F138-A208 HydrophobicContact CE2-CB 4.39Å; F138-A208 HydrophobicContact CZ-CB 3.3Å; F138-L229 HydrophobicContact CD2-CB 4.4Å |
| 139 | V | 67.1 | Low | 62.3 | Low | 65 Ų | 65 | 93.4 Ų | 93.4 | 39% | 0.394 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 178.1 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | T135 R136 N142 A143 Y255 | T135-V139 PolarHBondContact O-N 2.91Å; T135-V139 VanDerWaalsContact O-N 3.16Å; R136-V139 PolarHBondContact O-N 3.08Å; V139-N142 PolarHBondContact O-N 3.39Å; V139-A143 PolarHBondContact O-N 3.34Å; V139-A143 VanDerWaalsContact O-N 3.09Å; V139-Y255 WeakPolarHBondContact CG2-OH 3.25Å |
| 140 | Q | 62.3 | Low | 59.9 | Low | 99 Ų | 99 | 97.8 Ų | 97.8 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 174.6 | -77.3 | -178.1 | -43.8 | 0 | 0 | 112.4 | R136 N142 A143 E144 | R136-Q140 PolarHBondContact O-N 3.44Å; Q140-N142 VanDerWaalsContact C-N 3.3Å; Q140-N142 PolarHBondContact O-N 3.09Å; Q140-A143 PolarHBondContact O-N 2.75Å; Q140-A143 VanDerWaalsContact O-N 3.11Å; Q140-E144 PolarHBondContact O-N 3.46Å; Q140-E144 VanDerWaalsContact O-N 3.12Å |
| 141 | R | 59.1 | Low | 57.4 | Low | 164 Ų | 164 | 105.2 Ų | 105.2 | 62% | 0.619 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.4 | -36.3 | 176.2 | -100.6 | -177.8 | 170.8 | 129.4 | -2.2 | 113.6 | S137 F138 R145 | S137-R141 WeakPolarHBondContact O-CB 3.36Å; S137-R141 PolarHBondContact O-N 2.89Å; F138-R141 PolarHBondContact O-N 3.2Å; R141-R145 PolarHBondContact O-N 3.41Å |
| 142 | N | 55.3 | Low | 55 | Low | 114 Ų | 114 | 114.3 Ų | 114.3 | 61% | 0.61 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -75.5 | -26.7 | 177 | -74 | -10.3 | 0 | 0 | 0 | 112.3 | F138 V139 Q140 | F138-N142 WeakPolarHBondContact O-CB 3.46Å; F138-N142 PolarHBondContact O-N 3.13Å; V139-N142 PolarHBondContact O-N 3.39Å; Q140-N142 VanDerWaalsContact C-N 3.3Å; Q140-N142 PolarHBondContact O-N 3.09Å |
| 143 | A | 51.4 | Low | 52.5 | Low | 86 Ų | 86 | 121.7 Ų | 121.7 | 71% | 0.711 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75 | -25.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V139 Q140 | V139-A143 PolarHBondContact O-N 3.34Å; V139-A143 VanDerWaalsContact O-N 3.09Å; Q140-A143 PolarHBondContact O-N 2.75Å; Q140-A143 VanDerWaalsContact O-N 3.11Å |
| 144 | E | 47.7 | Very low | 50 | Low | 160 Ų | 160 | 121.8 Ų | 121.8 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -90.5 | -11.2 | -178.8 | -71.1 | 177 | 178.3 | 0 | 0 | 114.4 | Q140 E146 | Q140-E144 PolarHBondContact O-N 3.46Å; Q140-E144 VanDerWaalsContact O-N 3.12Å; E144-E146 PolarHBondContact O-N 2.88Å |
| 145 | R | 44.4 | Very low | 47.5 | Very low | 208 Ų | 208 | 128.6 Ų | 128.6 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -97.2 | 78.8 | 179.7 | -83.4 | -174.9 | 171.1 | 179 | -2.5 | 113 | R141 | R141-R145 PolarHBondContact O-N 3.41Š| ||
| 146 | E | 32.2 | Very low | 45.9 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 175.5 | 139.2 | 134.2 | -101.1 | -175.7 | -176.8 | 0 | 0 | 109.9 | E144 | E144-E146 PolarHBondContact O-N 2.88Š|
| 147 | P | 44.2 | Very low | 43.7 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | cis | -128.8 | 144.4 | -16.8 | 37 | -20.3 | 0 | 0 | 0 | 113.9 | ||||
| 148 | L | 32.1 | Very low | 42 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 95% | 0.948 | 69% | 0.69 | S | S | * | * | trans | -150.2 | 114.5 | 151.6 | -99.6 | 165.6 | 0 | 0 | 0 | 110.5 | ||||
| 149 | Q | 33.5 | Very low | 40.1 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -19.3 | 126.3 | 172.4 | -135.1 | 160.1 | -7.7 | 0 | 0 | 122.7 | ||||
| 150 | V | 36.2 | Very low | 38.6 | Very low | 108 Ų | 108 | 154.1 Ų | 154.1 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | 64.9 | 125.5 | 125.3 | -179.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 151 | Q | 28.5 | Very low | 37 | Very low | 181 Ų | 181 | 156.4 Ų | 156.4 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | -170.7 | 125.1 | 116.9 | -122.7 | 166.4 | -9.5 | 0 | 0 | 115.1 | |||||
| 152 | Y | 32.8 | Very low | 35.7 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 16.2 | 147.6 | 154.9 | -72 | -93.9 | 0 | 0 | 0 | 122.1 | ||||
| 153 | E | 30.1 | Very low | 34.7 | Very low | 158 Ų | 158 | 161 Ų | 161 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | cis | -168.6 | 129.9 | 48.5 | -141 | 156.2 | -141.5 | 0 | 0 | 112.9 | ||||
| 154 | E | 27.7 | Very low | 33.9 | Very low | 146 Ų | 146 | 164.2 Ų | 164.2 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | 56.6 | 135.4 | 142 | -62.1 | -168.9 | 166.6 | 0 | 0 | 123.1 | ||||
| 155 | F | 26.8 | Very low | 33.2 | Very low | 170 Ų | 170 | 162 Ų | 162 | 75% | 0.746 | 78% | 0.776 | S | S | * | * | cis | -173.6 | -177.1 | 6.1 | -117.6 | -39.4 | 0 | 0 | 0 | 111 | ||||
| 156 | P | 41.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 161.3 Ų | 161.3 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | -133 | 176 | -115.5 | 46.5 | -30.6 | 0 | 0 | 0 | 120.9 | |||||
| 157 | F | 27.7 | Very low | 33.8 | Very low | 187 Ų | 187 | 156.7 Ų | 156.7 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | trans | 88.8 | 110.8 | 145.3 | -115.6 | -92.5 | 0 | 0 | 0 | 123 | ||||
| 158 | L | 32.3 | Very low | 33.6 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | -159 | 121.1 | 116.3 | -145.4 | 90.9 | 0 | 0 | 0 | 112 | |||||
| 159 | E | 30.1 | Very low | 34.1 | Very low | 160 Ų | 160 | 149 Ų | 149 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | 61.6 | 99.7 | 157.1 | -76.2 | 171.5 | 167.9 | 0 | 0 | 121.8 | ||||
| 160 | K | 36 | Very low | 34.6 | Very low | 191 Ų | 191 | 148.9 Ų | 148.9 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | trans | -42.8 | 130.3 | 139.8 | -93.3 | 171.6 | 165.9 | 175 | 0 | 110.8 | ||||
| 161 | D | 27.8 | Very low | 35 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | -168.2 | 151.9 | 111.6 | -93.4 | -23.9 | 0 | 0 | 0 | 112.3 | |||||
| 162 | T | 32.8 | Very low | 35.8 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | 78.8 | 55.9 | -175.6 | 65.5 | 0 | 0 | 0 | 0 | 117.7 | M164 | T162-M164 VanDerWaalsContact C-N 3.28Å; T162-M164 PolarHBondContact O-N 2.82Å; T162-M164 VanDerWaalsContact O-N 3.09Å | ||
| 163 | R | 33.2 | Very low | 36.4 | Very low | 249 Ų | 249 | 147 Ų | 147 | 94% | 0.94 | 72% | 0.722 | S | S | * | * | trans | -69.1 | 92.6 | 143.5 | -84 | -173.7 | 172.6 | 177.3 | -2.9 | 107.9 | ||||
| 164 | M | 35.3 | Very low | 37.4 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -75.5 | 123.8 | 164.9 | -79.5 | -77.4 | -84 | 0 | 0 | 108.7 | T162 Y166 | T162-M164 VanDerWaalsContact C-N 3.28Å; T162-M164 PolarHBondContact O-N 2.82Å; T162-M164 VanDerWaalsContact O-N 3.09Å; M164-Y166 PolarHBondContact O-N 3.29Å | ||
| 165 | D | 32 | Very low | 38.9 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 60% | 0.599 | 71% | 0.712 | S | S | * | * | trans | -55.7 | 123.1 | -177.7 | -73.7 | -40.8 | 0 | 0 | 0 | 112.8 | S167 S168 | D165-S167 PolarHBondContact O-N 2.9Å; D165-S168 PolarHBondContact O-N 2.81Å; D165-S168 PolarHBondContact O-OG 2.96Å | ||
| 166 | Y | 44.7 | Very low | 41.1 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -24.5 | 172.6 | -102.1 | -96.6 | 0 | 0 | 0 | 113.5 | M164 | M164-Y166 PolarHBondContact O-N 3.29Š|
| 167 | S | 45.1 | Very low | 42.7 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -15.8 | -179.4 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | D165 | D165-S167 PolarHBondContact O-N 2.9Š|
| 168 | S | 40.7 | Very low | 45.2 | Very low | 53 Ų | 53 | 129.4 Ų | 129.4 | 37% | 0.371 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -15.3 | -178.3 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | D165 | D165-S168 PolarHBondContact O-N 2.81Å; D165-S168 PolarHBondContact O-OG 2.96Å |
| 169 | M | 42.6 | Very low | 47.7 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 41% | 0.414 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -93.4 | -14.9 | -174.1 | -146.3 | 157 | 72 | 0 | 0 | 114.2 | R171 L172 W233 | M169-R171 VanDerWaalsContact C-N 3.26Å; M169-R171 PolarHBondContact O-N 3.13Å; M169-L172 PolarHBondContact O-N 3.38Å; M169-W233 HydrophobicContact CE-CD2 3.67Å; M169-W233 HydrophobicContact CE-CE3 3.85Å; M169-W233 HydrophobicContact CE-CG 4.2Å; M169-W233 HydrophobicContact CE-CH2 4.09Å; M169-W233 HydrophobicContact CE-CZ2 3.92Å; M169-W233 HydrophobicContact CE-CZ3 4.06Å |
| 170 | Q | 44 | Very low | 50.2 | Low | 177 Ų | 177 | 115.9 Ų | 115.9 | 83% | 0.827 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -75.3 | -14.6 | 176.3 | -151.6 | 163.6 | 1.6 | 0 | 0 | 112.9 | ||
| 171 | R | 44.5 | Very low | 52.6 | Low | 230 Ų | 230 | 106.8 Ų | 106.8 | 87% | 0.868 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -81.3 | -9.5 | 175.2 | -69.1 | -172.2 | -165 | 169 | 5.8 | 114.4 | M169 | M169-R171 VanDerWaalsContact C-N 3.26Å; M169-R171 PolarHBondContact O-N 3.13Å |
| 172 | L | 44 | Very low | 55.3 | Low | 141 Ų | 141 | 99.9 Ų | 99.9 | 74% | 0.738 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -94.3 | 4.7 | -176.9 | -95.4 | 122.1 | 0 | 0 | 0 | 115 | M169 A174 | M169-L172 PolarHBondContact O-N 3.38Å; L172-A174 PolarHBondContact O-N 2.98Å |
| 173 | G | 45 | Very low | 57.9 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 71% | 0.711 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 16.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K175 | G173-K175 PolarHBondContact O-N 3.38Š|
| 174 | A | 52.5 | Low | 60.4 | Low | 49 Ų | 49 | 85.4 Ų | 85.4 | 41% | 0.405 | 44% | 0.437 | S | S | . | . | trans | -73.5 | 112.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L172 L176 W233 | L172-A174 PolarHBondContact O-N 2.98Å; A174-L176 PolarHBondContact O-N 2.81Å; A174-W233 HydrophobicContact CB-CE3 4.49Å | ||
| 175 | K | 59.5 | Low | 62.7 | Low | 185 Ų | 185 | 83.7 Ų | 83.7 | 80% | 0.804 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 128.1 | 172.7 | -69.6 | -177.9 | 178.6 | -179.6 | 0 | 109.5 | G173 | G173-K175 PolarHBondContact O-N 3.38Š|
| 176 | L | 71.1 | Confident | 65.2 | Low | 71 Ų | 71 | 83 Ų | 83 | 37% | 0.372 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 123.2 | 171.2 | -173.1 | 70.8 | 0 | 0 | 0 | 108.8 | A174 F178 W233 | A174-L176 PolarHBondContact O-N 2.81Å; L176-F178 HydrophobicContact CD2-CE1 3.89Å; L176-F178 HydrophobicContact CD2-CE2 3.92Å; L176-F178 HydrophobicContact CD2-CZ 3.32Å; L176-F178 HydrophobicContact CG-CE1 4.4Å; L176-F178 HydrophobicContact CG-CE2 4.25Å; L176-F178 HydrophobicContact CG-CZ 3.99Å; L176-W233 HydrophobicContact CD1-CD2 3.83Å; L176-W233 HydrophobicContact CD1-CE3 4.15Å; L176-W233 HydrophobicContact CD1-CG 4.43Å; L176-W233 HydrophobicContact CD1-CH2 4.04Å; L176-W233 HydrophobicContact CD1-CZ2 3.7Å; L176-W233 HydrophobicContact CD1-CZ3 4.24Å |
| 177 | G | 74.8 | Confident | 67.2 | Low | 13 Ų | 13 | 77.3 Ų | 77.3 | 13% | 0.134 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 142.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S231 Y232 | G177-S231 WeakPolarHBondContact O-CA 3.42Å; G177-Y232 PolarHBondContact N-O 3.49Å; G177-Y232 VanDerWaalsContact N-O 3.08Å; G177-Y232 WeakPolarHBondContact O-CD1 3.42Å; G177-Y232 PolarHBondContact O-N 3.41Å |
| 178 | F | 80.8 | Confident | 69.1 | Low | 75 Ų | 75 | 74 Ų | 74 | 33% | 0.329 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.8 | 173.2 | -61.7 | -78.8 | 0 | 0 | 0 | 109.7 | L176 L229 I230 Y255 | L176-F178 HydrophobicContact CD2-CE1 3.89Å; L176-F178 HydrophobicContact CD2-CE2 3.92Å; L176-F178 HydrophobicContact CD2-CZ 3.32Å; L176-F178 HydrophobicContact CG-CE1 4.4Å; L176-F178 HydrophobicContact CG-CE2 4.25Å; L176-F178 HydrophobicContact CG-CZ 3.99Å; F178-L229 HydrophobicContact CB-CD1 4.28Å; F178-L229 HydrophobicContact CD1-CD1 4.29Å; F178-I230 WeakPolarHBondContact CA-O 3.44Å; F178-Y255 HydrophobicContact CB-CD1 3.7Å; F178-Y255 HydrophobicContact CB-CE1 4.3Å; F178-Y255 HydrophobicContact CB-CG 4.27Å; F178-Y255 HydrophobicContact CD2-CD1 4.08Å; F178-Y255 HydrophobicContact CD2-CE1 4.09Å; F178-Y255 AromaticContact CG-CD1 4Å; F178-Y255 HydrophobicContact CG-CD1 4Å; F178-Y255 HydrophobicContact CG-CE1 4.12Å |
| 179 | I | 84.3 | Confident | 71.2 | Confident | 24 Ų | 24 | 77.3 Ų | 77.3 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.9 | 167.3 | -76.5 | 159.8 | 0 | 0 | 0 | 107.5 | I230 Y232 V241 L252 | I179-I230 PolarHBondContact N-O 2.99Å; I179-I230 PolarHBondContact O-N 3.46Å; I179-Y232 HydrophobicContact CB-CE1 4.28Å; I179-Y232 HydrophobicContact CD1-CD1 4.13Å; I179-Y232 HydrophobicContact CD1-CE1 3.41Å; I179-Y232 VanDerWaalsContact CD1-CE1 3.41Å; I179-Y232 HydrophobicContact CG1-CE1 3.65Å; I179-V241 HydrophobicContact CD1-CB 4.21Å; I179-V241 HydrophobicContact CD1-CG1 3.9Å; I179-L252 HydrophobicContact CG2-CD2 3.6Å |
| 180 | S | 83.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 145.3 | 172.9 | 47.7 | 0 | 0 | 0 | 0 | 110.8 | M131 F228 Y253 | M131-S180 WeakPolarHBondContact CE-OG 3.41Å; M131-S180 PolarHBondContact SD-OG 3.38Å; M131-S180 VanDerWaalsContact SD-OG 3.41Å; S180-F228 VanDerWaalsContact CA-O 3.29Å; S180-F228 WeakPolarHBondContact CA-O 3.5Å; S180-Y253 PolarHBondContact O-N 3.18Å; S180-Y253 VanDerWaalsContact O-N 3.15Å; S180-Y253 PolarHBondContact OG-O 3.46Å; S180-Y253 VanDerWaalsContact OG-O 3.11Å |
| 181 | G | 85.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 177.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | F228 H251 | G181-F228 PolarHBondContact N-O 3.05Å; G181-F228 VanDerWaalsContact N-O 3.08Å; G181-F228 WeakPolarHBondContact O-CD1 3.23Å; G181-F228 WeakPolarHBondContact O-CE1 3.42Å; G181-F228 PolarHBondContact O-N 2.9Å; G181-H251 CarbonylContact C-O 3.6Å; G181-H251 WeakPolarHBondContact CA-O 3.42Å |
| 182 | L | 85.4 | Confident | 77.4 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.3 | 177.9 | -153.9 | 80.5 | 0 | 0 | 0 | 110 | E127 V210 L214 S225 V226 V227 C250 H251 | E127-L182 HydrophobicContact CG-CD2 3.87Å; L182-V210 HydrophobicContact CD1-CG2 4.16Å; L182-L214 HydrophobicContact CD2-CD1 3.99Å; L182-S225 VanDerWaalsContact CD2-CB 3.46Å; L182-V226 WeakPolarHBondContact CA-O 3.39Å; L182-V227 HydrophobicContact CD1-CB 4.37Å; L182-V227 HydrophobicContact CD1-CG2 3.41Å; L182-V227 VanDerWaalsContact CD1-CG2 3.41Å; L182-C250 WeakPolarHBondContact O-CA 3.36Å; L182-C250 WeakPolarHBondContact O-CB 3.47Å; L182-H251 HydrophobicContact CB-CB 4.35Å; L182-H251 PolarHBondContact N-O 2.92Å; L182-H251 PolarHBondContact O-N 3.47Å |
| 183 | I | 87.9 | Confident | 79.4 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 144.3 | 174.9 | -167.5 | 173.1 | 0 | 0 | 0 | 110.6 | K187 I188 F191 V226 F228 | I183-K187 HydrophobicContact CD1-CB 3.91Å; I183-K187 HydrophobicContact CG1-CB 4.05Å; I183-I188 HydrophobicContact CG2-CD1 3.79Å; I183-F191 HydrophobicContact CD1-CB 3.65Å; I183-F191 HydrophobicContact CD1-CD1 4.26Å; I183-F191 HydrophobicContact CD1-CD2 4.04Å; I183-F191 HydrophobicContact CD1-CG 3.74Å; I183-V226 HydrophobicContact CG2-CB 4.18Å; I183-V226 PolarHBondContact N-O 2.88Å; I183-V226 PolarHBondContact O-N 2.81Å; I183-F228 HydrophobicContact CB-CD1 4.14Å; I183-F228 HydrophobicContact CB-CE1 4.03Å; I183-F228 HydrophobicContact CG2-CD1 3.82Å; I183-F228 HydrophobicContact CG2-CE1 4.23Å |
| 184 | Q | 84.4 | Confident | 81.4 | Confident | 65 Ų | 65 | 60.5 Ų | 60.5 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 137.6 | 172.1 | -70.5 | 173.3 | -21 | 0 | 0 | 110.7 | A186 K187 D216 | Q184-A186 PolarHBondContact O-N 2.89Å; Q184-A186 VanDerWaalsContact O-N 3.09Å; Q184-K187 PolarHBondContact O-N 3.41Å; Q184-D216 PolarHBondContact NE2-OD2 3.29Å |
| 185 | R | 83.4 | Confident | 82.9 | Confident | 117 Ų | 117 | 58.3 Ų | 58.3 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -52.1 | -36.2 | -179.2 | 178.9 | 176.2 | 174.2 | 147.1 | 1.6 | 113.7 | K187 I188 E209 K224 V226 | R185-K187 PolarHBondContact O-N 3.2Å; R185-I188 WeakPolarHBondContact O-CG2 3.32Å; R185-I188 PolarHBondContact O-N 3.48Å; R185-E209 IonicContact CZ-OE1 3.52Å; R185-E209 IonicContact CZ-OE2 3.61Å; R185-E209 IonicContact NE-OE1 2.72Å; R185-E209 IonicContact NH1-OE1 3.96Å; R185-E209 PolarHBondContact NH1-OE1 2.91Å; R185-E209 IonicContact NH1-OE2 3.71Å; R185-E209 PolarHBondContact NH1-OE2 3.49Å; R185-E209 IonicContact NH2-OE1 2.7Å; R185-K224 HydrophobicContact CB-CB 4.4Å; R185-K224 WeakPolarHBondContact CB-O 3.5Å; R185-K224 PolarHBondContact N-O 3.34Å; R185-K224 VanDerWaalsContact N-O 3.08Å; R185-V226 HydrophobicContact CB-CG2 4.13Å |
| 186 | A | 85.1 | Confident | 84.1 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 82% | 0.818 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q184 | Q184-A186 PolarHBondContact O-N 2.89Å; Q184-A186 VanDerWaalsContact O-N 3.09Å |
| 187 | K | 86 | Confident | 84.7 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -97.4 | -7.4 | -173.6 | -65.5 | 171.5 | 179.9 | 158.9 | 0 | 113.3 | I183 Q184 R185 E189 A190 F191 Y248 | I183-K187 HydrophobicContact CD1-CB 3.91Å; I183-K187 HydrophobicContact CG1-CB 4.05Å; Q184-K187 PolarHBondContact O-N 3.41Å; R185-K187 PolarHBondContact O-N 3.2Å; K187-E189 PolarHBondContact O-N 2.83Å; K187-A190 PolarHBondContact O-N 3.42Å; K187-F191 WeakPolarHBondContact O-CB 3.43Å; K187-F191 PolarHBondContact O-N 3Å; K187-Y248 HydrophobicContact CB-CD1 4.49Å |
| 188 | I | 85.4 | Confident | 85.1 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | -171.8 | -169 | 62.6 | 0 | 0 | 0 | 113.2 | I183 R185 A190 F191 E192 Y207 V226 | I183-I188 HydrophobicContact CG2-CD1 3.79Å; R185-I188 WeakPolarHBondContact O-CG2 3.32Å; R185-I188 PolarHBondContact O-N 3.48Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 3.28Å; I188-F191 HydrophobicContact CD1-CD1 4.4Å; I188-F191 WeakPolarHBondContact O-CB 3.43Å; I188-F191 PolarHBondContact O-N 3.3Å; I188-E192 PolarHBondContact O-N 2.79Å; I188-Y207 HydrophobicContact CD1-CD1 4.47Å; I188-Y207 HydrophobicContact CD1-CG 4.37Å; I188-V226 HydrophobicContact CD1-CG1 4.49Å |
| 189 | E | 85.6 | Confident | 84.9 | Confident | 123 Ų | 123 | 63 Ų | 63 | 58% | 0.575 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.2 | -38.7 | -177.5 | -64.6 | -170.9 | -174.8 | 0 | 0 | 112.2 | K187 R193 | K187-E189 PolarHBondContact O-N 2.83Å; E189-R193 VanDerWaalsContact O-CG 3.25Å; E189-R193 WeakPolarHBondContact O-CG 2.92Å; E189-R193 PolarHBondContact O-N 3.46Å; E189-R193 IonicContact OE2-NH2 3.21Å; E189-R193 PolarHBondContact OE2-NH2 3.09Å |
| 190 | A | 88.2 | Confident | 84.6 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | K187 I188 R193 M194 Y248 | K187-A190 PolarHBondContact O-N 3.42Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 3.28Å; A190-R193 PolarHBondContact O-N 2.93Å; A190-M194 WeakPolarHBondContact O-CB 3.47Å; A190-M194 PolarHBondContact O-N 3.48Å; A190-Y248 HydrophobicContact CB-CE1 4.1Å; A190-Y248 PolarHBondContact O-OH 2.95Å |
| 191 | F | 88.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 177.1 | 179.8 | -103.7 | 0 | 0 | 0 | 112.1 | I183 K187 I188 R193 M194 L195 L205 F228 I230 I244 Y248 | I183-F191 HydrophobicContact CD1-CB 3.65Å; I183-F191 HydrophobicContact CD1-CD1 4.26Å; I183-F191 HydrophobicContact CD1-CD2 4.04Å; I183-F191 HydrophobicContact CD1-CG 3.74Å; K187-F191 WeakPolarHBondContact O-CB 3.43Å; K187-F191 PolarHBondContact O-N 3Å; I188-F191 HydrophobicContact CD1-CD1 4.4Å; I188-F191 WeakPolarHBondContact O-CB 3.43Å; I188-F191 PolarHBondContact O-N 3.3Å; F191-R193 PolarHBondContact O-N 2.83Å; F191-M194 PolarHBondContact O-N 3.21Å; F191-L195 WeakPolarHBondContact O-CB 3.25Å; F191-L195 PolarHBondContact O-N 3.24Å; F191-L205 HydrophobicContact CE1-CD1 4.14Å; F191-F228 HydrophobicContact CE1-CD2 4.33Å; F191-F228 HydrophobicContact CE1-CE2 4.37Å; F191-F228 HydrophobicContact CE1-CG 4.43Å; F191-F228 HydrophobicContact CZ-CE2 4.11Å; F191-F228 HydrophobicContact CZ-CZ 4.13Å; F191-I230 HydrophobicContact CE1-CD1 3.97Å; F191-I230 HydrophobicContact CZ-CD1 3.76Å; F191-I244 HydrophobicContact CD2-CG2 4.1Å; F191-I244 HydrophobicContact CE2-CG2 3.86Å; F191-Y248 HydrophobicContact CB-CE2 4.49Å; F191-Y248 AromaticContact CD2-CD2 3.56Å; F191-Y248 HydrophobicContact CD2-CD2 3.56Å; F191-Y248 HydrophobicContact CD2-CE2 4.02Å; F191-Y248 HydrophobicContact CD2-CG 4.02Å; F191-Y248 HydrophobicContact CE2-CD2 4.31Å |
| 192 | E | 85.3 | Confident | 83.5 | Confident | 86 Ų | 86 | 79.5 Ų | 79.5 | 40% | 0.402 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.8 | -47 | 178.1 | -176.8 | 178.4 | -176.5 | 0 | 0 | 111.8 | I188 M194 L195 W196 L205 | I188-E192 PolarHBondContact O-N 2.79Å; E192-M194 VanDerWaalsContact C-N 3.28Å; E192-M194 PolarHBondContact O-N 2.7Å; E192-L195 PolarHBondContact O-N 3.21Å; E192-W196 WeakPolarHBondContact O-CB 3.27Å; E192-W196 PolarHBondContact O-N 2.89Å; E192-L205 HydrophobicContact CB-CD2 4.06Å; E192-L205 HydrophobicContact CG-CD2 3.97Å |
| 193 | R | 85.8 | Confident | 83.2 | Confident | 146 Ų | 146 | 80.2 Ų | 80.2 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.4 | -38.2 | 177.4 | -70.9 | 174.9 | -165.8 | 164.4 | 13.6 | 111.8 | E189 A190 F191 R197 | E189-R193 VanDerWaalsContact O-CG 3.25Å; E189-R193 WeakPolarHBondContact O-CG 2.92Å; E189-R193 PolarHBondContact O-N 3.46Å; E189-R193 IonicContact OE2-NH2 3.21Å; E189-R193 PolarHBondContact OE2-NH2 3.09Å; A190-R193 PolarHBondContact O-N 2.93Å; F191-R193 PolarHBondContact O-N 2.83Å; R193-R197 WeakPolarHBondContact O-CB 3.21Å; R193-R197 WeakPolarHBondContact O-CG 3.5Å; R193-R197 PolarHBondContact O-N 2.91Å; R193-R197 VanDerWaalsContact O-N 3.09Å |
| 194 | M | 85.6 | Confident | 82.9 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 35% | 0.345 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.9 | -42.7 | 178.6 | -167.6 | 167.9 | -165.4 | 0 | 0 | 112 | A190 F191 E192 W196 R197 V198 I244 Y248 | A190-M194 WeakPolarHBondContact O-CB 3.47Å; A190-M194 PolarHBondContact O-N 3.48Å; F191-M194 PolarHBondContact O-N 3.21Å; E192-M194 VanDerWaalsContact C-N 3.28Å; E192-M194 PolarHBondContact O-N 2.7Å; M194-W196 VanDerWaalsContact C-N 3.32Å; M194-W196 PolarHBondContact O-N 2.72Å; M194-R197 PolarHBondContact O-N 2.98Å; M194-V198 HydrophobicContact CG-CG2 4.49Å; M194-V198 WeakPolarHBondContact O-CG2 3.5Å; M194-V198 PolarHBondContact O-N 3.31Å; M194-V198 VanDerWaalsContact O-N 3.08Å; M194-I244 HydrophobicContact CG-CG2 4.31Å; M194-I244 HydrophobicContact SD-CG2 4.25Å; M194-Y248 HydrophobicContact CB-CE2 4.16Å; M194-Y248 HydrophobicContact CG-CE2 4.36Å; M194-Y248 HydrophobicContact SD-CD2 4.5Å; M194-Y248 HydrophobicContact SD-CE2 3.38Å; M194-Y248 WeakPolarHBondContact SD-CE2 3.48Å; M194-Y248 PolarHBondContact SD-OH 3.48Å; M194-Y248 VanDerWaalsContact SD-OH 3.35Å |
| 195 | L | 85.4 | Confident | 82.7 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 176.2 | -164.3 | 77.7 | 0 | 0 | 0 | 110.7 | F191 E192 C199 L205 I230 V241 I244 | F191-L195 WeakPolarHBondContact O-CB 3.25Å; F191-L195 PolarHBondContact O-N 3.24Å; E192-L195 PolarHBondContact O-N 3.21Å; L195-C199 VanDerWaalsContact O-CB 3.27Å; L195-C199 WeakPolarHBondContact O-CB 3.04Å; L195-C199 PolarHBondContact O-N 3.12Å; L195-L205 HydrophobicContact CD2-CB 4.15Å; L195-L205 HydrophobicContact CD2-CD1 4.41Å; L195-I230 HydrophobicContact CD1-CD1 4.17Å; L195-I230 HydrophobicContact CD2-CD1 4.06Å; L195-I230 HydrophobicContact CD2-CG1 4.19Å; L195-I230 HydrophobicContact CD2-CG2 4.4Å; L195-V241 HydrophobicContact CD1-CG1 4.17Å; L195-V241 HydrophobicContact CD1-CG2 3.98Å; L195-I244 HydrophobicContact CD1-CD1 4.42Å |
| 196 | W | 83.2 | Confident | 82.6 | Confident | 184 Ų | 184 | 78.1 Ų | 78.1 | 70% | 0.697 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 179 | -165.8 | 84.8 | 0 | 0 | 0 | 112.5 | E192 M194 V198 K200 | E192-W196 WeakPolarHBondContact O-CB 3.27Å; E192-W196 PolarHBondContact O-N 2.89Å; M194-W196 VanDerWaalsContact C-N 3.32Å; M194-W196 PolarHBondContact O-N 2.72Å; W196-V198 PolarHBondContact O-N 3.47Å; W196-K200 PolarHBondContact O-N 3.03Å |
| 197 | R | 84 | Confident | 82.6 | Confident | 188 Ų | 188 | 78.5 Ų | 78.5 | 71% | 0.709 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 179.1 | -76 | 172.8 | -176.2 | -156.8 | 1.4 | 113.1 | R193 M194 | R193-R197 WeakPolarHBondContact O-CB 3.21Å; R193-R197 WeakPolarHBondContact O-CG 3.5Å; R193-R197 PolarHBondContact O-N 2.91Å; R193-R197 VanDerWaalsContact O-N 3.09Å; M194-R197 PolarHBondContact O-N 2.98Å |
| 198 | V | 83.8 | Confident | 82.4 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 39% | 0.394 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -82.9 | -40.1 | -175.6 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | M194 W196 K240 I244 | M194-V198 HydrophobicContact CG-CG2 4.49Å; M194-V198 WeakPolarHBondContact O-CG2 3.5Å; M194-V198 PolarHBondContact O-N 3.31Å; M194-V198 VanDerWaalsContact O-N 3.08Å; W196-V198 PolarHBondContact O-N 3.47Å; V198-K240 HydrophobicContact CG1-CD 4.28Å; V198-I244 HydrophobicContact CB-CD1 3.99Å; V198-I244 HydrophobicContact CG1-CD1 4.13Å; V198-I244 HydrophobicContact CG2-CD1 4.12Å |
| 199 | C | 77.5 | Confident | 82.1 | Confident | 6 Ų | 6 | 80.1 Ų | 80.1 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -96.3 | -2.2 | -172.3 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | L195 G201 Y202 T203 | L195-C199 VanDerWaalsContact O-CB 3.27Å; L195-C199 WeakPolarHBondContact O-CB 3.04Å; L195-C199 PolarHBondContact O-N 3.12Å; C199-G201 PolarHBondContact O-N 3.17Å; C199-Y202 WeakPolarHBondContact O-CB 3.07Å; C199-Y202 WeakPolarHBondContact O-CD2 3.37Å; C199-Y202 PolarHBondContact O-N 3.38Å; C199-T203 HydrophobicContact CB-CG2 3.64Å |
| 200 | K | 76.3 | Confident | 81.7 | Confident | 173 Ų | 173 | 74.7 Ų | 74.7 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 37.9 | 173.2 | -61.6 | -170.9 | 177 | -173.8 | 0 | 114.3 | W196 | W196-K200 PolarHBondContact O-N 3.03Š|
| 201 | G | 68.8 | Low | 80.7 | Confident | 50 Ų | 50 | 81.9 Ų | 81.9 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 1.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | C199 T203 | C199-G201 PolarHBondContact O-N 3.17Å; G201-T203 PolarHBondContact O-N 3.24Å |
| 202 | Y | 77.2 | Confident | 79.9 | Confident | 148 Ų | 148 | 87.1 Ų | 87.1 | 58% | 0.58 | 41% | 0.405 | S | S | * | . | trans | -79 | 8.3 | 176 | -64.5 | -68.1 | 0 | 0 | 0 | 114.6 | C199 I237 | C199-Y202 WeakPolarHBondContact O-CB 3.07Å; C199-Y202 WeakPolarHBondContact O-CD2 3.37Å; C199-Y202 PolarHBondContact O-N 3.38Å; Y202-I237 HydrophobicContact CD2-CD1 4.34Å; Y202-I237 HydrophobicContact CG-CD1 4.19Å | ||
| 203 | T | 79.1 | Confident | 79.1 | Confident | 19 Ų | 19 | 89.6 Ų | 89.6 | 12% | 0.117 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.6 | -178.2 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | C199 G201 I230 S231 I237 V241 | C199-T203 HydrophobicContact CB-CG2 3.64Å; G201-T203 PolarHBondContact O-N 3.24Å; T203-I230 HydrophobicContact CG2-CG2 4.31Å; T203-S231 VanDerWaalsContact CA-O 3.31Å; T203-S231 WeakPolarHBondContact CA-O 3.29Å; T203-I237 HydrophobicContact CG2-CG2 3.95Å; T203-V241 HydrophobicContact CG2-CG2 3.98Å |
| 204 | I | 81.5 | Confident | 78.2 | Confident | 80 Ų | 80 | 83.2 Ų | 83.2 | 41% | 0.41 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.6 | 172 | -54.7 | 169.3 | 0 | 0 | 0 | 107.5 | I230 S231 | I204-I230 WeakPolarHBondContact O-CA 3.24Å; I204-S231 WeakPolarHBondContact CB-OG 3.41Å; I204-S231 PolarHBondContact N-O 3.21Å; I204-S231 PolarHBondContact O-N 3.43Å |
| 205 | L | 81.8 | Confident | 77.3 | Confident | 35 Ų | 35 | 86.3 Ų | 86.3 | 18% | 0.183 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.2 | 176 | 179.5 | 71.5 | 0 | 0 | 0 | 108.8 | F191 E192 L195 Y207 F228 I230 | F191-L205 HydrophobicContact CE1-CD1 4.14Å; E192-L205 HydrophobicContact CB-CD2 4.06Å; E192-L205 HydrophobicContact CG-CD2 3.97Å; L195-L205 HydrophobicContact CD2-CB 4.15Å; L195-L205 HydrophobicContact CD2-CD1 4.41Å; L205-Y207 HydrophobicContact CD2-CD1 3.96Å; L205-Y207 HydrophobicContact CD2-CE1 4.36Å; L205-Y207 HydrophobicContact CG-CD1 4.07Å; L205-F228 HydrophobicContact CD1-CB 3.87Å; L205-F228 HydrophobicContact CD1-CD2 4.32Å; L205-F228 HydrophobicContact CD1-CG 4.39Å; L205-I230 HydrophobicContact CD1-CD1 4.07Å; L205-I230 HydrophobicContact CD1-CG1 3.47Å; L205-I230 VanDerWaalsContact CD1-CG1 3.47Å |
| 206 | S | 81.5 | Confident | 76.3 | Confident | 27 Ų | 27 | 87.8 Ų | 87.8 | 19% | 0.189 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.1 | 166.7 | -61.4 | 0 | 0 | 0 | 0 | 108.3 | F228 L229 | S206-F228 CarbonylContact O-C 3.48Å; S206-F228 VanDerWaalsContact O-CA 3.31Å; S206-F228 WeakPolarHBondContact O-CA 3.46Å; S206-L229 PolarHBondContact N-O 3.28Å; S206-L229 PolarHBondContact O-N 3.4Å |
| 207 | Y | 83.5 | Confident | 75.1 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 42% | 0.42 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.6 | 178 | 65.1 | -96.8 | 0 | 0 | 0 | 111.7 | I188 L205 V226 V227 | I188-Y207 HydrophobicContact CD1-CD1 4.47Å; I188-Y207 HydrophobicContact CD1-CG 4.37Å; L205-Y207 HydrophobicContact CD2-CD1 3.96Å; L205-Y207 HydrophobicContact CD2-CE1 4.36Å; L205-Y207 HydrophobicContact CG-CD1 4.07Å; Y207-V226 HydrophobicContact CD2-CG1 3.87Å; Y207-V226 HydrophobicContact CG-CG1 4.23Å; Y207-V227 CarbonylContact C-O 3.59Å; Y207-V227 WeakPolarHBondContact CA-O 3.47Å; Y207-V227 WeakPolarHBondContact CB-O 3.46Å |
| 208 | A | 82 | Confident | 73.8 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 144.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.3 | I134 F138 V226 V227 | I134-A208 HydrophobicContact CG2-CB 3.79Å; F138-A208 HydrophobicContact CE1-CB 3.75Å; F138-A208 HydrophobicContact CE2-CB 4.39Å; F138-A208 HydrophobicContact CZ-CB 3.3Å; A208-V226 WeakPolarHBondContact O-CG1 3.36Å; A208-V227 PolarHBondContact N-O 3.43Å; A208-V227 PolarHBondContact O-N 3.42Å |
| 209 | E | 79.6 | Confident | 72.9 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 46% | 0.458 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.9 | 177.9 | -53.9 | -166.3 | 165.7 | 0 | 0 | 109.7 | R185 V226 | R185-E209 IonicContact CZ-OE1 3.52Å; R185-E209 IonicContact CZ-OE2 3.61Å; R185-E209 IonicContact NE-OE1 2.72Å; R185-E209 IonicContact NH1-OE1 3.96Å; R185-E209 PolarHBondContact NH1-OE1 2.91Å; R185-E209 IonicContact NH1-OE2 3.71Å; R185-E209 PolarHBondContact NH1-OE2 3.49Å; R185-E209 IonicContact NH2-OE1 2.7Å; E209-V226 HydrophobicContact CG-CG2 4.29Å |
| 210 | V | 77.5 | Confident | 72.1 | Confident | 9 Ų | 9 | 83.9 Ų | 83.9 | 6% | 0.055 | 43% | 0.433 | C | S | . | . | trans | -75.9 | 127.4 | 166.6 | -175 | 0 | 0 | 0 | 0 | 107.2 | I134 L182 E212 S225 V227 | I134-V210 HydrophobicContact CD1-CB 4.4Å; I134-V210 HydrophobicContact CD1-CG2 3.8Å; L182-V210 HydrophobicContact CD1-CG2 4.16Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 HydrophobicContact CG1-CB 4.37Å; V210-E212 PolarHBondContact O-N 3.09Å; V210-S225 WeakPolarHBondContact CB-O 3.03Å; V210-S225 WeakPolarHBondContact CG2-O 3.37Å; V210-S225 PolarHBondContact N-O 2.85Å; V210-V227 HydrophobicContact CG2-CG2 3.74Å | ||
| 211 | E | 66.9 | Low | 71.9 | Confident | 196 Ų | 196 | 81.9 Ų | 81.9 | 92% | 0.916 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -69.8 | -26.6 | -178.8 | -67 | -179.9 | 174.8 | 0 | 0 | 112.5 | ||
| 212 | E | 72.1 | Confident | 72.1 | Confident | 110 Ų | 110 | 83.5 Ų | 83.5 | 51% | 0.514 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -89.2 | 138.8 | 177.7 | -68.8 | 172.5 | -154.8 | 0 | 0 | 111.1 | H130 V210 | H130-E212 IonicContact CE1-OE1 3.3Å; H130-E212 IonicContact CE1-OE2 3.79Å; H130-E212 PolarHBondContact CE1-OE2 3.43Å; H130-E212 IonicContact NE2-OE2 3.05Å; H130-E212 PolarHBondContact NE2-OE2 3.11Å; V210-E212 VanDerWaalsContact C-N 3.27Å; V210-E212 HydrophobicContact CG1-CB 4.37Å; V210-E212 PolarHBondContact O-N 3.09Å |
| 213 | Y | 67.8 | Low | 71.9 | Confident | 138 Ų | 138 | 77.6 Ų | 77.6 | 54% | 0.541 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 125.2 | 170.8 | -65.8 | -92.9 | 0 | 0 | 0 | 108.7 | P222 K224 | Y213-P222 HydrophobicContact CD1-CB 4.05Å; Y213-P222 HydrophobicContact CG-CB 4.1Å; Y213-K224 HydrophobicContact CD1-CG 3.74Å; Y213-K224 HydrophobicContact CE1-CD 3.99Å; Y213-K224 HydrophobicContact CE1-CG 3.47Å; Y213-K224 VanDerWaalsContact CE1-CG 3.47Å; Y213-K224 WeakPolarHBondContact OH-CE 3.43Å; Y213-K224 PolarHBondContact OH-NZ 3.19Å |
| 214 | L | 67.6 | Low | 71.8 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 7% | 0.068 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.8 | 173.3 | -67.7 | 168.6 | 0 | 0 | 0 | 107.9 | L123 E127 L182 T223 | L123-L214 HydrophobicContact CD1-CB 4.29Å; L123-L214 HydrophobicContact CD1-CD2 4.15Å; E127-L214 HydrophobicContact CG-CD1 3.88Å; L182-L214 HydrophobicContact CD2-CD1 3.99Å; L214-T223 PolarHBondContact N-O 3.02Å; L214-T223 VanDerWaalsContact N-O 3.16Å; L214-T223 PolarHBondContact O-N 2.79Å; L214-T223 PolarHBondContact O-OG1 3.32Å |
| 215 | E | 67.3 | Low | 71.9 | Confident | 135 Ų | 135 | 77.2 Ų | 77.2 | 63% | 0.631 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.1 | 175.5 | -67.3 | 179.5 | 177.1 | 0 | 0 | 109 | L123 | L123-E215 WeakPolarHBondContact CD2-O 3.42Å |
| 216 | D | 62.9 | Low | 72 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 130.5 | 172.8 | -89.6 | 11 | 0 | 0 | 0 | 108.8 | Q184 D218 T219 G220 E221 T223 | Q184-D216 PolarHBondContact NE2-OD2 3.29Å; D216-D218 PolarHBondContact O-N 3.37Å; D216-T219 WeakPolarHBondContact CB-OG1 3.37Å; D216-T219 PolarHBondContact O-N 2.82Å; D216-G220 WeakPolarHBondContact O-CA 3.49Å; D216-G220 PolarHBondContact O-N 3.25Å; D216-E221 PolarHBondContact N-O 2.95Å; D216-E221 VanDerWaalsContact N-O 3.13Å; D216-T223 HydrophobicContact CB-CG2 4.21Å; D216-T223 WeakPolarHBondContact OD1-CG2 3.45Å; D216-T223 PolarHBondContact OD1-OG1 3.22Å; D216-T223 VanDerWaalsContact OD2-CG2 3.28Å; D216-T223 WeakPolarHBondContact OD2-CG2 3.29Å |
| 217 | P | 58.3 | Low | 72.3 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 47% | 0.468 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.3 | -171.3 | 27.2 | -33.3 | 0 | 0 | 0 | 113.2 | L123 | L123-P217 HydrophobicContact CD2-CB 4.24Å; L123-P217 HydrophobicContact CD2-CG 3.98Å |
| 218 | D | 57.6 | Low | 72.4 | Confident | 153 Ų | 153 | 69.4 Ų | 69.4 | 82% | 0.818 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -24.1 | -177 | -61.5 | -36.6 | 0 | 0 | 0 | 113.1 | D216 | D216-D218 PolarHBondContact O-N 3.37Š|
| 219 | T | 63.4 | Low | 72.6 | Confident | 85 Ų | 85 | 68.7 Ų | 68.7 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -21.5 | -175.5 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | D216 E221 | D216-T219 WeakPolarHBondContact CB-OG1 3.37Å; D216-T219 PolarHBondContact O-N 2.82Å; T219-E221 PolarHBondContact O-N 3.32Å; T219-E221 PolarHBondContact OG1-N 3.32Å |
| 220 | G | 61.9 | Low | 72.8 | Confident | 51 Ų | 51 | 64 Ų | 64 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | trans | 65.6 | 12.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | D216 | D216-G220 WeakPolarHBondContact O-CA 3.49Å; D216-G220 PolarHBondContact O-N 3.25Å | ||
| 221 | E | 71.6 | Confident | 73.1 | Confident | 130 Ų | 130 | 64.6 Ų | 64.6 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | trans | -90.3 | 138.2 | 178.2 | -67.5 | -171.7 | 166.5 | 0 | 0 | 110.4 | D216 T219 T223 | D216-E221 PolarHBondContact N-O 2.95Å; D216-E221 VanDerWaalsContact N-O 3.13Å; T219-E221 PolarHBondContact O-N 3.32Å; T219-E221 PolarHBondContact OG1-N 3.32Å; E221-T223 PolarHBondContact O-N 2.89Å | ||
| 222 | P | 73.3 | Confident | 73.9 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 104.1 | 174.3 | 26.7 | -32.1 | 0 | 0 | 0 | 109.6 | Y213 | Y213-P222 HydrophobicContact CD1-CB 4.05Å; Y213-P222 HydrophobicContact CG-CB 4.1Å |
| 223 | T | 72.9 | Confident | 74.3 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 144.5 | 177.7 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | L214 D216 E221 | L214-T223 PolarHBondContact N-O 3.02Å; L214-T223 VanDerWaalsContact N-O 3.16Å; L214-T223 PolarHBondContact O-N 2.79Å; L214-T223 PolarHBondContact O-OG1 3.32Å; D216-T223 HydrophobicContact CB-CG2 4.21Å; D216-T223 WeakPolarHBondContact OD1-CG2 3.45Å; D216-T223 PolarHBondContact OD1-OG1 3.22Å; D216-T223 VanDerWaalsContact OD2-CG2 3.28Å; D216-T223 WeakPolarHBondContact OD2-CG2 3.29Å; E221-T223 PolarHBondContact O-N 2.89Å |
| 224 | K | 77.9 | Confident | 75 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | trans | -86.8 | 112.4 | 170 | -71.6 | -166.9 | 178.4 | -172.5 | 0 | 109.4 | R185 Y213 | R185-K224 HydrophobicContact CB-CB 4.4Å; R185-K224 WeakPolarHBondContact CB-O 3.5Å; R185-K224 PolarHBondContact N-O 3.34Å; R185-K224 VanDerWaalsContact N-O 3.08Å; Y213-K224 HydrophobicContact CD1-CG 3.74Å; Y213-K224 HydrophobicContact CE1-CD 3.99Å; Y213-K224 HydrophobicContact CE1-CG 3.47Å; Y213-K224 VanDerWaalsContact CE1-CG 3.47Å; Y213-K224 WeakPolarHBondContact OH-CE 3.43Å; Y213-K224 PolarHBondContact OH-NZ 3.19Å | ||
| 225 | S | 82.3 | Confident | 75.5 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 147.5 | 177.2 | -75.1 | 0 | 0 | 0 | 0 | 111.4 | L182 V210 | L182-S225 VanDerWaalsContact CD2-CB 3.46Å; V210-S225 WeakPolarHBondContact CB-O 3.03Å; V210-S225 WeakPolarHBondContact CG2-O 3.37Å; V210-S225 PolarHBondContact N-O 2.85Å |
| 226 | V | 84.7 | Confident | 76.2 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127 | -179.8 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | L182 I183 R185 I188 Y207 A208 E209 | L182-V226 WeakPolarHBondContact CA-O 3.39Å; I183-V226 HydrophobicContact CG2-CB 4.18Å; I183-V226 PolarHBondContact N-O 2.88Å; I183-V226 PolarHBondContact O-N 2.81Å; R185-V226 HydrophobicContact CB-CG2 4.13Å; I188-V226 HydrophobicContact CD1-CG1 4.49Å; Y207-V226 HydrophobicContact CD2-CG1 3.87Å; Y207-V226 HydrophobicContact CG-CG1 4.23Å; A208-V226 WeakPolarHBondContact O-CG1 3.36Å; E209-V226 HydrophobicContact CG-CG2 4.29Å |
| 227 | V | 86.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.6 | 171.6 | 174.8 | 0 | 0 | 0 | 0 | 108.1 | M131 I134 T135 L182 Y207 A208 V210 | M131-V227 HydrophobicContact CB-CG1 4.22Å; M131-V227 HydrophobicContact CB-CG2 4.29Å; M131-V227 HydrophobicContact CG-CG1 3.86Å; I134-V227 HydrophobicContact CB-CB 4.48Å; I134-V227 HydrophobicContact CD1-CB 4.38Å; I134-V227 HydrophobicContact CD1-CG2 3.91Å; I134-V227 HydrophobicContact CG2-CB 4.2Å; I134-V227 HydrophobicContact CG2-CG1 4.36Å; T135-V227 HydrophobicContact CG2-CG1 4.25Å; L182-V227 HydrophobicContact CD1-CB 4.37Å; L182-V227 HydrophobicContact CD1-CG2 3.41Å; L182-V227 VanDerWaalsContact CD1-CG2 3.41Å; Y207-V227 CarbonylContact C-O 3.59Å; Y207-V227 WeakPolarHBondContact CA-O 3.47Å; Y207-V227 WeakPolarHBondContact CB-O 3.46Å; A208-V227 PolarHBondContact N-O 3.43Å; A208-V227 PolarHBondContact O-N 3.42Å; V210-V227 HydrophobicContact CG2-CG2 3.74Å |
| 228 | F | 86.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.6 | 172.2 | 67.2 | -93.6 | 0 | 0 | 0 | 111.8 | S180 G181 I183 F191 L205 S206 I230 C250 L252 | S180-F228 VanDerWaalsContact CA-O 3.29Å; S180-F228 WeakPolarHBondContact CA-O 3.5Å; G181-F228 PolarHBondContact N-O 3.05Å; G181-F228 VanDerWaalsContact N-O 3.08Å; G181-F228 WeakPolarHBondContact O-CD1 3.23Å; G181-F228 WeakPolarHBondContact O-CE1 3.42Å; G181-F228 PolarHBondContact O-N 2.9Å; I183-F228 HydrophobicContact CB-CD1 4.14Å; I183-F228 HydrophobicContact CB-CE1 4.03Å; I183-F228 HydrophobicContact CG2-CD1 3.82Å; I183-F228 HydrophobicContact CG2-CE1 4.23Å; F191-F228 HydrophobicContact CE1-CD2 4.33Å; F191-F228 HydrophobicContact CE1-CE2 4.37Å; F191-F228 HydrophobicContact CE1-CG 4.43Å; F191-F228 HydrophobicContact CZ-CE2 4.11Å; F191-F228 HydrophobicContact CZ-CZ 4.13Å; L205-F228 HydrophobicContact CD1-CB 3.87Å; L205-F228 HydrophobicContact CD1-CD2 4.32Å; L205-F228 HydrophobicContact CD1-CG 4.39Å; S206-F228 CarbonylContact O-C 3.48Å; S206-F228 VanDerWaalsContact O-CA 3.31Å; S206-F228 WeakPolarHBondContact O-CA 3.46Å; F228-I230 HydrophobicContact CD2-CD1 3.71Å; F228-I230 HydrophobicContact CD2-CG1 3.85Å; F228-I230 HydrophobicContact CE2-CD1 3.67Å; F228-I230 HydrophobicContact CE2-CG1 4.26Å; F228-C250 HydrophobicContact CE1-CB 4.02Å; F228-C250 HydrophobicContact CZ-CB 3.96Å; F228-L252 HydrophobicContact CZ-CD2 4.49Å |
| 229 | L | 85.5 | Confident | 79.5 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 118 | 171.7 | -179.8 | 67.7 | 0 | 0 | 0 | 107.7 | T135 F138 F178 S206 | T135-L229 HydrophobicContact CG2-CB 4.26Å; T135-L229 HydrophobicContact CG2-CD1 4.43Å; F138-L229 HydrophobicContact CD2-CB 4.4Å; F178-L229 HydrophobicContact CB-CD1 4.28Å; F178-L229 HydrophobicContact CD1-CD1 4.29Å; S206-L229 PolarHBondContact N-O 3.28Å; S206-L229 PolarHBondContact O-N 3.4Å |
| 230 | I | 85 | Confident | 80.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118 | 176.2 | -63.2 | 163.8 | 0 | 0 | 0 | 108 | F178 I179 F191 L195 T203 I204 L205 F228 Y232 V241 | F178-I230 WeakPolarHBondContact CA-O 3.44Å; I179-I230 PolarHBondContact N-O 2.99Å; I179-I230 PolarHBondContact O-N 3.46Å; F191-I230 HydrophobicContact CE1-CD1 3.97Å; F191-I230 HydrophobicContact CZ-CD1 3.76Å; L195-I230 HydrophobicContact CD1-CD1 4.17Å; L195-I230 HydrophobicContact CD2-CD1 4.06Å; L195-I230 HydrophobicContact CD2-CG1 4.19Å; L195-I230 HydrophobicContact CD2-CG2 4.4Å; T203-I230 HydrophobicContact CG2-CG2 4.31Å; I204-I230 WeakPolarHBondContact O-CA 3.24Å; L205-I230 HydrophobicContact CD1-CD1 4.07Å; L205-I230 HydrophobicContact CD1-CG1 3.47Å; L205-I230 VanDerWaalsContact CD1-CG1 3.47Å; F228-I230 HydrophobicContact CD2-CD1 3.71Å; F228-I230 HydrophobicContact CD2-CG1 3.85Å; F228-I230 HydrophobicContact CE2-CD1 3.67Å; F228-I230 HydrophobicContact CE2-CG1 4.26Å; I230-Y232 HydrophobicContact CG2-CD1 4.48Å; I230-V241 HydrophobicContact CD1-CG1 3.78Å; I230-V241 HydrophobicContact CG2-CG1 4.09Å |
| 231 | S | 82.8 | Confident | 81.7 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.4 | 164.6 | 62.2 | 0 | 0 | 0 | 0 | 109.5 | G177 T203 I204 | G177-S231 WeakPolarHBondContact O-CA 3.42Å; T203-S231 VanDerWaalsContact CA-O 3.31Å; T203-S231 WeakPolarHBondContact CA-O 3.29Å; I204-S231 WeakPolarHBondContact CB-OG 3.41Å; I204-S231 PolarHBondContact N-O 3.21Å; I204-S231 PolarHBondContact O-N 3.43Å |
| 232 | Y | 84.5 | Confident | 82.4 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 155.7 | -178.3 | 64.3 | -90.1 | 0 | 0 | 0 | 110.9 | G177 I179 I230 G234 | G177-Y232 PolarHBondContact N-O 3.49Å; G177-Y232 VanDerWaalsContact N-O 3.08Å; G177-Y232 WeakPolarHBondContact O-CD1 3.42Å; G177-Y232 PolarHBondContact O-N 3.41Å; I179-Y232 HydrophobicContact CB-CE1 4.28Å; I179-Y232 HydrophobicContact CD1-CD1 4.13Å; I179-Y232 HydrophobicContact CD1-CE1 3.41Å; I179-Y232 VanDerWaalsContact CD1-CE1 3.41Å; I179-Y232 HydrophobicContact CG1-CE1 3.65Å; I230-Y232 HydrophobicContact CG2-CD1 4.48Å; Y232-G234 WeakPolarHBondContact CD2-O 3.44Å |
| 233 | W | 80.1 | Confident | 83.1 | Confident | 77 Ų | 77 | 53.4 Ų | 53.4 | 29% | 0.292 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.3 | -179 | -61.1 | 87.8 | 0 | 0 | 0 | 109.9 | M169 A174 L176 I237 | M169-W233 HydrophobicContact CE-CD2 3.67Å; M169-W233 HydrophobicContact CE-CE3 3.85Å; M169-W233 HydrophobicContact CE-CG 4.2Å; M169-W233 HydrophobicContact CE-CH2 4.09Å; M169-W233 HydrophobicContact CE-CZ2 3.92Å; M169-W233 HydrophobicContact CE-CZ3 4.06Å; A174-W233 HydrophobicContact CB-CE3 4.49Å; L176-W233 HydrophobicContact CD1-CD2 3.83Å; L176-W233 HydrophobicContact CD1-CE3 4.15Å; L176-W233 HydrophobicContact CD1-CG 4.43Å; L176-W233 HydrophobicContact CD1-CH2 4.04Å; L176-W233 HydrophobicContact CD1-CZ2 3.7Å; L176-W233 HydrophobicContact CD1-CZ3 4.24Å; W233-I237 WeakPolarHBondContact O-CD1 3.49Å |
| 234 | G | 81.8 | Confident | 83.8 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 88.5 | 150 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y232 Q236 I237 G238 | Y232-G234 WeakPolarHBondContact CD2-O 3.44Å; G234-Q236 PolarHBondContact O-N 3.44Å; G234-I237 PolarHBondContact O-N 3.01Å; G234-G238 PolarHBondContact O-N 3.23Å |
| 235 | D | 78.9 | Confident | 84.2 | Confident | 131 Ų | 131 | 48.7 Ų | 48.7 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.8 | -34.2 | -169.1 | -62.8 | -30.9 | 0 | 0 | 0 | 113.9 | I237 G238 Q239 | D235-I237 VanDerWaalsContact C-N 3.31Å; D235-I237 PolarHBondContact O-N 3.14Å; D235-G238 PolarHBondContact O-N 3.4Å; D235-Q239 PolarHBondContact O-N 3.31Å |
| 236 | Q | 81.4 | Confident | 84.4 | Confident | 157 Ų | 157 | 52.5 Ų | 52.5 | 73% | 0.734 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.5 | -34 | 178.6 | -66.7 | -174.5 | -2.5 | 0 | 0 | 112.4 | G234 K240 | G234-Q236 PolarHBondContact O-N 3.44Å; Q236-K240 WeakPolarHBondContact O-CG 3.42Å; Q236-K240 PolarHBondContact O-N 3.11Å |
| 237 | I | 82 | Confident | 84.5 | Confident | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.185 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74 | -41.2 | 175.1 | -68 | 166 | 0 | 0 | 0 | 109.2 | Y202 T203 W233 G234 D235 Q239 K240 V241 | Y202-I237 HydrophobicContact CD2-CD1 4.34Å; Y202-I237 HydrophobicContact CG-CD1 4.19Å; T203-I237 HydrophobicContact CG2-CG2 3.95Å; W233-I237 WeakPolarHBondContact O-CD1 3.49Å; G234-I237 PolarHBondContact O-N 3.01Å; D235-I237 VanDerWaalsContact C-N 3.31Å; D235-I237 PolarHBondContact O-N 3.14Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 2.85Å; I237-K240 WeakPolarHBondContact O-CB 3.41Å; I237-K240 PolarHBondContact O-N 3.29Å; I237-V241 HydrophobicContact CG2-CG2 4.17Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 3.06Å |
| 238 | G | 81.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54 | -43.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G234 D235 K240 V241 K242 | G234-G238 PolarHBondContact O-N 3.23Å; D235-G238 PolarHBondContact O-N 3.4Å; G238-K240 PolarHBondContact O-N 3.18Å; G238-V241 PolarHBondContact O-N 2.78Å; G238-K242 WeakPolarHBondContact O-CB 3.39Å; G238-K242 PolarHBondContact O-N 2.9Å |
| 239 | Q | 84.5 | Confident | 84.3 | Confident | 130 Ų | 130 | 66.3 Ų | 66.3 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65 | -36.1 | 175.3 | -69.6 | -178.9 | 3 | 0 | 0 | 113.1 | D235 I237 K243 | D235-Q239 PolarHBondContact O-N 3.31Å; I237-Q239 VanDerWaalsContact C-N 3.3Å; I237-Q239 PolarHBondContact O-N 2.85Å; Q239-K243 WeakPolarHBondContact O-CG 3.36Å; Q239-K243 PolarHBondContact O-N 3.35Å; Q239-K243 VanDerWaalsContact O-N 3.14Å |
| 240 | K | 85.8 | Confident | 84.1 | Confident | 108 Ų | 108 | 66.2 Ų | 66.2 | 47% | 0.47 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 175.2 | -71.3 | 178.1 | -177.7 | 178.1 | 0 | 111.4 | V198 Q236 I237 G238 K243 I244 | V198-K240 HydrophobicContact CG1-CD 4.28Å; Q236-K240 WeakPolarHBondContact O-CG 3.42Å; Q236-K240 PolarHBondContact O-N 3.11Å; I237-K240 WeakPolarHBondContact O-CB 3.41Å; I237-K240 PolarHBondContact O-N 3.29Å; G238-K240 PolarHBondContact O-N 3.18Å; K240-K243 PolarHBondContact O-N 3.43Å; K240-I244 WeakPolarHBondContact O-CG1 3.38Å; K240-I244 PolarHBondContact O-N 3.25Å |
| 241 | V | 86 | Confident | 83.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 175.8 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | I179 L195 T203 I230 I237 G238 K243 I244 C245 | I179-V241 HydrophobicContact CD1-CB 4.21Å; I179-V241 HydrophobicContact CD1-CG1 3.9Å; L195-V241 HydrophobicContact CD1-CG1 4.17Å; L195-V241 HydrophobicContact CD1-CG2 3.98Å; T203-V241 HydrophobicContact CG2-CG2 3.98Å; I230-V241 HydrophobicContact CD1-CG1 3.78Å; I230-V241 HydrophobicContact CG2-CG1 4.09Å; I237-V241 HydrophobicContact CG2-CG2 4.17Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 3.06Å; G238-V241 PolarHBondContact O-N 2.78Å; V241-K243 PolarHBondContact O-N 2.9Å; V241-I244 WeakPolarHBondContact O-CB 3.23Å; V241-I244 PolarHBondContact O-N 3.36Å; V241-I244 VanDerWaalsContact O-N 3.08Å; V241-C245 PolarHBondContact O-N 3.36Å; V241-C245 PolarHBondContact O-SG 3.09Å |
| 242 | K | 86.6 | Confident | 84 | Confident | 120 Ų | 120 | 72.3 Ų | 72.3 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 177.2 | -169.2 | 174.7 | -179.2 | 178.2 | 0 | 112.3 | G238 I244 C245 D246 L252 | G238-K242 WeakPolarHBondContact O-CB 3.39Å; G238-K242 PolarHBondContact O-N 2.9Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.87Å; K242-C245 WeakPolarHBondContact O-CB 3.34Å; K242-C245 PolarHBondContact O-N 2.88Å; K242-C245 VanDerWaalsContact O-N 3.16Å; K242-D246 VanDerWaalsContact O-CG 3.23Å; K242-D246 PolarHBondContact O-N 3.11Å; K242-L252 HydrophobicContact CG-CD1 4.12Å |
| 243 | K | 87.3 | Confident | 83.9 | Confident | 140 Ų | 140 | 72.5 Ų | 72.5 | 61% | 0.609 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.4 | -38.1 | 175.2 | -72.7 | 177.9 | -178.5 | -175.6 | 0 | 112.9 | Q239 K240 V241 D246 C247 | Q239-K243 WeakPolarHBondContact O-CG 3.36Å; Q239-K243 PolarHBondContact O-N 3.35Å; Q239-K243 VanDerWaalsContact O-N 3.14Å; K240-K243 PolarHBondContact O-N 3.43Å; V241-K243 PolarHBondContact O-N 2.9Å; K243-D246 PolarHBondContact O-N 3.1Å; K243-C247 PolarHBondContact O-N 3.5Å; K243-C247 PolarHBondContact O-SG 3.35Å |
| 244 | I | 88.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 5% | 0.046 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66 | -44.7 | 175.8 | -65.1 | 166.4 | 0 | 0 | 0 | 109.9 | F191 M194 L195 V198 K240 V241 K242 D246 C247 Y248 | F191-I244 HydrophobicContact CD2-CG2 4.1Å; F191-I244 HydrophobicContact CE2-CG2 3.86Å; M194-I244 HydrophobicContact CG-CG2 4.31Å; M194-I244 HydrophobicContact SD-CG2 4.25Å; L195-I244 HydrophobicContact CD1-CD1 4.42Å; V198-I244 HydrophobicContact CB-CD1 3.99Å; V198-I244 HydrophobicContact CG1-CD1 4.13Å; V198-I244 HydrophobicContact CG2-CD1 4.12Å; K240-I244 WeakPolarHBondContact O-CG1 3.38Å; K240-I244 PolarHBondContact O-N 3.25Å; V241-I244 WeakPolarHBondContact O-CB 3.23Å; V241-I244 PolarHBondContact O-N 3.36Å; V241-I244 VanDerWaalsContact O-N 3.08Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.87Å; I244-D246 VanDerWaalsContact C-N 3.31Å; I244-D246 PolarHBondContact O-N 3.21Å; I244-C247 WeakPolarHBondContact O-CB 3.44Å; I244-C247 PolarHBondContact O-N 3.2Å; I244-Y248 HydrophobicContact CG2-CD2 3.95Å; I244-Y248 HydrophobicContact CG2-CE2 3.93Å; I244-Y248 WeakPolarHBondContact O-CD2 3.47Å; I244-Y248 PolarHBondContact O-N 3.43Å |
| 245 | C | 86.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 175.5 | -65 | 0 | 0 | 0 | 0 | 112.3 | V241 K242 Y248 H249 C250 L252 | V241-C245 PolarHBondContact O-N 3.36Å; V241-C245 PolarHBondContact O-SG 3.09Å; K242-C245 WeakPolarHBondContact O-CB 3.34Å; K242-C245 PolarHBondContact O-N 2.88Å; K242-C245 VanDerWaalsContact O-N 3.16Å; C245-Y248 PolarHBondContact O-N 3.27Å; C245-H249 PolarHBondContact O-N 3.37Å; C245-C250 HydrophobicContact CB-CB 4.15Å; C245-C250 PolarHBondContact O-N 3.11Å; C245-L252 HydrophobicContact CB-CD1 3.91Å; C245-L252 HydrophobicContact CB-CD2 3.8Å; C245-L252 HydrophobicContact CB-CG 4.14Å |
| 246 | D | 85.9 | Confident | 83.4 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 176.3 | -62.6 | -25.3 | 0 | 0 | 0 | 111.4 | K242 K243 I244 Y248 H249 | K242-D246 VanDerWaalsContact O-CG 3.23Å; K242-D246 PolarHBondContact O-N 3.11Å; K243-D246 PolarHBondContact O-N 3.1Å; I244-D246 VanDerWaalsContact C-N 3.31Å; I244-D246 PolarHBondContact O-N 3.21Å; D246-Y248 VanDerWaalsContact C-N 3.32Å; D246-Y248 PolarHBondContact O-N 2.85Å; D246-H249 PolarHBondContact O-N 2.9Å |
| 247 | C | 86.8 | Confident | 82.7 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.4 | -31.7 | 177.3 | -72.5 | 0 | 0 | 0 | 0 | 114 | K243 I244 | K243-C247 PolarHBondContact O-N 3.5Å; K243-C247 PolarHBondContact O-SG 3.35Å; I244-C247 WeakPolarHBondContact O-CB 3.44Å; I244-C247 PolarHBondContact O-N 3.2Å |
| 248 | Y | 85.9 | Confident | 82.4 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 3.5 | 178 | -76.2 | -81.7 | 0 | 0 | 0 | 113.4 | K187 A190 F191 M194 I244 C245 D246 C250 | K187-Y248 HydrophobicContact CB-CD1 4.49Å; A190-Y248 HydrophobicContact CB-CE1 4.1Å; A190-Y248 PolarHBondContact O-OH 2.95Å; F191-Y248 HydrophobicContact CB-CE2 4.49Å; F191-Y248 AromaticContact CD2-CD2 3.56Å; F191-Y248 HydrophobicContact CD2-CD2 3.56Å; F191-Y248 HydrophobicContact CD2-CE2 4.02Å; F191-Y248 HydrophobicContact CD2-CG 4.02Å; F191-Y248 HydrophobicContact CE2-CD2 4.31Å; M194-Y248 HydrophobicContact CB-CE2 4.16Å; M194-Y248 HydrophobicContact CG-CE2 4.36Å; M194-Y248 HydrophobicContact SD-CD2 4.5Å; M194-Y248 HydrophobicContact SD-CE2 3.38Å; M194-Y248 WeakPolarHBondContact SD-CE2 3.48Å; M194-Y248 PolarHBondContact SD-OH 3.48Å; M194-Y248 VanDerWaalsContact SD-OH 3.35Å; I244-Y248 HydrophobicContact CG2-CD2 3.95Å; I244-Y248 HydrophobicContact CG2-CE2 3.93Å; I244-Y248 WeakPolarHBondContact O-CD2 3.47Å; I244-Y248 PolarHBondContact O-N 3.43Å; C245-Y248 PolarHBondContact O-N 3.27Å; D246-Y248 VanDerWaalsContact C-N 3.32Å; D246-Y248 PolarHBondContact O-N 2.85Å; Y248-C250 VanDerWaalsContact C-N 3.34Å |
| 249 | H | 83.3 | Confident | 82 | Confident | 154 Ų | 154 | 71.4 Ų | 71.4 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 44.7 | -174.2 | -55.4 | -64.4 | 0 | 0 | 0 | 112.6 | C245 D246 | C245-H249 PolarHBondContact O-N 3.37Å; D246-H249 PolarHBondContact O-N 2.9Å |
| 250 | C | 81.1 | Confident | 81.7 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 8% | 0.081 | 37% | 0.365 | C | S | . | . | trans | -75.9 | 136.7 | 174.5 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | L182 F228 C245 Y248 L252 | L182-C250 WeakPolarHBondContact O-CA 3.36Å; L182-C250 WeakPolarHBondContact O-CB 3.47Å; F228-C250 HydrophobicContact CE1-CB 4.02Å; F228-C250 HydrophobicContact CZ-CB 3.96Å; C245-C250 HydrophobicContact CB-CB 4.15Å; C245-C250 PolarHBondContact O-N 3.11Å; Y248-C250 VanDerWaalsContact C-N 3.34Å; C250-L252 PolarHBondContact O-N 2.95Å | ||
| 251 | H | 82 | Confident | 81.4 | Confident | 95 Ų | 95 | 70.4 Ų | 70.4 | 44% | 0.44 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 109.4 | 171.4 | -65.5 | -84.9 | 0 | 0 | 0 | 109.4 | E127 G181 L182 Y253 | E127-H251 IonicContact OE2-CG 3.81Å; G181-H251 CarbonylContact C-O 3.6Å; G181-H251 WeakPolarHBondContact CA-O 3.42Å; L182-H251 HydrophobicContact CB-CB 4.35Å; L182-H251 PolarHBondContact N-O 2.92Å; L182-H251 PolarHBondContact O-N 3.47Å; H251-Y253 HydrophobicContact CB-CE2 3.93Å |
| 252 | L | 84.1 | Confident | 80.9 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.9 | -175.8 | -69.6 | 171.9 | 0 | 0 | 0 | 111.2 | I179 F228 K242 C245 C250 | I179-L252 HydrophobicContact CG2-CD2 3.6Å; F228-L252 HydrophobicContact CZ-CD2 4.49Å; K242-L252 HydrophobicContact CG-CD1 4.12Å; C245-L252 HydrophobicContact CB-CD1 3.91Å; C245-L252 HydrophobicContact CB-CD2 3.8Å; C245-L252 HydrophobicContact CB-CG 4.14Å; C250-L252 PolarHBondContact O-N 2.95Å |
| 253 | Y | 83.8 | Confident | 80.7 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 15% | 0.145 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.7 | 178.7 | -63.1 | -73.1 | 0 | 0 | 0 | 111.6 | E124 E127 Y128 S180 H251 Y255 | E124-Y253 PolarHBondContact O-OH 2.88Å; E127-Y253 HydrophobicContact CB-CE2 4Å; E127-Y253 PolarHBondContact OE2-OH 2.98Å; Y128-Y253 VanDerWaalsContact CD2-CB 3.47Å; Y128-Y253 AromaticContact CD2-CD1 3.91Å; Y128-Y253 HydrophobicContact CD2-CD1 3.91Å; Y128-Y253 HydrophobicContact CD2-CD2 4.38Å; Y128-Y253 AromaticContact CD2-CG 3.67Å; Y128-Y253 HydrophobicContact CD2-CG 3.67Å; Y128-Y253 HydrophobicContact CE2-CG 4.33Å; Y128-Y253 AromaticContact CG-CD1 3.94Å; Y128-Y253 HydrophobicContact CG-CD1 3.94Å; Y128-Y253 HydrophobicContact CG-CE1 4.5Å; Y128-Y253 HydrophobicContact CG-CG 4.15Å; S180-Y253 PolarHBondContact O-N 3.18Å; S180-Y253 VanDerWaalsContact O-N 3.15Å; S180-Y253 PolarHBondContact OG-O 3.46Å; S180-Y253 VanDerWaalsContact OG-O 3.11Å; H251-Y253 HydrophobicContact CB-CE2 3.93Å; Y253-Y255 PolarHBondContact O-N 3.45Å |
| 254 | P | 78.3 | Confident | 80.6 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | trans | -68.5 | 132.3 | 179.7 | 28.1 | -32.9 | 0 | 0 | 0 | 110.9 | Y128 P256 | Y128-P254 PolarHBondContact OH-O 3.25Å; P254-P256 WeakPolarHBondContact O-CD 3.48Å | ||
| 255 | Y | 76.1 | Confident | 80.5 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | trans | -97.4 | 115.3 | 179.1 | -178.5 | -103 | 0 | 0 | 0 | 111.3 | M131 V139 F178 Y253 R262 | M131-Y255 HydrophobicContact CE-CD2 3.88Å; V139-Y255 WeakPolarHBondContact CG2-OH 3.25Å; F178-Y255 HydrophobicContact CB-CD1 3.7Å; F178-Y255 HydrophobicContact CB-CE1 4.3Å; F178-Y255 HydrophobicContact CB-CG 4.27Å; F178-Y255 HydrophobicContact CD2-CD1 4.08Å; F178-Y255 HydrophobicContact CD2-CE1 4.09Å; F178-Y255 AromaticContact CG-CD1 4Å; F178-Y255 HydrophobicContact CG-CD1 4Å; F178-Y255 HydrophobicContact CG-CE1 4.12Å; Y253-Y255 PolarHBondContact O-N 3.45Å; Y255-R262 VanDerWaalsContact CZ-NH2 3.27Å; Y255-R262 PolarHBondContact OH-NH2 3.3Å | ||
| 256 | P | 75.3 | Confident | 80.5 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 12% | 0.117 | 38% | 0.379 | C | S | . | . | trans | -68.7 | 134.5 | 172.7 | -18.4 | 32.3 | 0 | 0 | 0 | 111 | P254 E261 R262 V265 | P254-P256 WeakPolarHBondContact O-CD 3.48Å; P256-E261 HydrophobicContact CB-CB 4.37Å; P256-R262 HydrophobicContact CB-CB 4.32Å; P256-R262 PolarHBondContact O-NH2 3.44Å; P256-V265 HydrophobicContact CG-CG2 4.46Å | ||
| 257 | S | 67.6 | Low | 80.5 | Confident | 91 Ų | 91 | 72.7 Ų | 72.7 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -80.3 | -32.6 | -178.4 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 258 | N | 74.7 | Confident | 80.7 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -88.6 | 146.6 | 179.9 | -70.1 | -22.8 | 0 | 0 | 0 | 112.1 | E261 R262 | N258-E261 HydrophobicContact CB-CB 4.09Å; N258-E261 HydrophobicContact CB-CG 3.92Å; N258-E261 PolarHBondContact ND2-OE1 3.33Å; N258-R262 WeakPolarHBondContact O-CB 3.32Å; N258-R262 PolarHBondContact O-N 2.88Å |
| 259 | N | 73.2 | Confident | 80.9 | Confident | 87 Ų | 87 | 67.8 Ų | 67.8 | 47% | 0.465 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74 | -33.4 | 179.4 | -162.1 | 46.1 | 0 | 0 | 0 | 112.3 | R262 N263 | N259-R262 PolarHBondContact O-N 3.43Å; N259-R262 PolarHBondContact OD1-NH1 3.03Å; N259-N263 PolarHBondContact O-N 3Å; N259-N263 VanDerWaalsContact O-N 3.09Å; N259-N263 PolarHBondContact O-ND2 2.9Å |
| 260 | D | 76.9 | Confident | 81.2 | Confident | 119 Ų | 119 | 67.7 Ų | 67.7 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.4 | -48.7 | 179.2 | -57.4 | -33.4 | 0 | 0 | 0 | 110.8 | R262 N263 D264 | D260-R262 PolarHBondContact O-N 3.03Å; D260-N263 PolarHBondContact O-N 3.16Å; D260-D264 PolarHBondContact O-N 2.86Å |
| 261 | E | 80.3 | Confident | 81.7 | Confident | 98 Ų | 98 | 70.8 Ų | 70.8 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.4 | -34.7 | 172.6 | -68 | 170.9 | -163 | 0 | 0 | 112.5 | P256 N258 V265 | P256-E261 HydrophobicContact CB-CB 4.37Å; N258-E261 HydrophobicContact CB-CB 4.09Å; N258-E261 HydrophobicContact CB-CG 3.92Å; N258-E261 PolarHBondContact ND2-OE1 3.33Å; E261-V265 VanDerWaalsContact O-CG2 3.22Å; E261-V265 WeakPolarHBondContact O-CG2 3.2Å; E261-V265 PolarHBondContact O-N 3.41Å |
| 262 | R | 76.1 | Confident | 82.2 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 8% | 0.075 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 175.8 | -171.1 | -178.7 | -58.1 | 112.9 | 8.1 | 111.7 | L132 Y255 P256 N258 N259 D260 D264 V265 V266 | L132-R262 HydrophobicContact CD2-CG 4.18Å; Y255-R262 VanDerWaalsContact CZ-NH2 3.27Å; Y255-R262 PolarHBondContact OH-NH2 3.3Å; P256-R262 HydrophobicContact CB-CB 4.32Å; P256-R262 PolarHBondContact O-NH2 3.44Å; N258-R262 WeakPolarHBondContact O-CB 3.32Å; N258-R262 PolarHBondContact O-N 2.88Å; N259-R262 PolarHBondContact O-N 3.43Å; N259-R262 PolarHBondContact OD1-NH1 3.03Å; D260-R262 PolarHBondContact O-N 3.03Å; R262-D264 VanDerWaalsContact C-N 3.33Å; R262-V265 PolarHBondContact O-N 2.84Å; R262-V266 VanDerWaalsContact O-CG2 3.28Å; R262-V266 WeakPolarHBondContact O-CG2 3.37Å; R262-V266 PolarHBondContact O-N 2.93Å |
| 263 | N | 81.4 | Confident | 82.5 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.5 | -69 | -31.6 | 0 | 0 | 0 | 110.8 | N259 D260 V265 V266 E267 | N259-N263 PolarHBondContact O-N 3Å; N259-N263 VanDerWaalsContact O-N 3.09Å; N259-N263 PolarHBondContact O-ND2 2.9Å; D260-N263 PolarHBondContact O-N 3.16Å; N263-V265 PolarHBondContact O-N 3.12Å; N263-V266 PolarHBondContact O-N 3.18Å; N263-E267 PolarHBondContact O-N 3.43Å |
| 264 | D | 85.9 | Confident | 82.9 | Confident | 108 Ų | 108 | 76 Ų | 76 | 58% | 0.578 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 175.6 | -64.4 | -17 | 0 | 0 | 0 | 111.6 | D260 R262 E267 G268 | D260-D264 PolarHBondContact O-N 2.86Å; R262-D264 VanDerWaalsContact C-N 3.33Å; D264-E267 PolarHBondContact O-N 3.27Å; D264-G268 PolarHBondContact O-N 2.94Å |
| 265 | V | 86.5 | Confident | 83.6 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 30% | 0.297 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | Y128 L132 P256 E261 R262 N263 E267 G268 L269 | Y128-V265 HydrophobicContact CE1-CG1 3.85Å; L132-V265 HydrophobicContact CD1-CG1 3.95Å; P256-V265 HydrophobicContact CG-CG2 4.46Å; E261-V265 VanDerWaalsContact O-CG2 3.22Å; E261-V265 WeakPolarHBondContact O-CG2 3.2Å; E261-V265 PolarHBondContact O-N 3.41Å; R262-V265 PolarHBondContact O-N 2.84Å; N263-V265 PolarHBondContact O-N 3.12Å; V265-E267 VanDerWaalsContact C-N 3.34Å; V265-E267 PolarHBondContact O-N 3.22Å; V265-G268 PolarHBondContact O-N 2.85Å; V265-L269 HydrophobicContact CG1-CD1 3.9Å; V265-L269 HydrophobicContact CG1-CG 4.23Å; V265-L269 WeakPolarHBondContact O-CB 3.39Å; V265-L269 WeakPolarHBondContact O-CG 3.21Å; V265-L269 PolarHBondContact O-N 3.35Å |
| 266 | V | 84.8 | Confident | 84.3 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 178.2 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | L132 R262 N263 L269 R270 | L132-V266 HydrophobicContact CB-CG2 4.12Å; L132-V266 HydrophobicContact CD1-CG2 3.78Å; R262-V266 VanDerWaalsContact O-CG2 3.28Å; R262-V266 WeakPolarHBondContact O-CG2 3.37Å; R262-V266 PolarHBondContact O-N 2.93Å; N263-V266 PolarHBondContact O-N 3.18Å; V266-L269 PolarHBondContact O-N 2.91Å; V266-R270 VanDerWaalsContact O-CG 3.32Å; V266-R270 WeakPolarHBondContact O-CG 3.47Å; V266-R270 PolarHBondContact O-N 3.02Å |
| 267 | E | 87.1 | Confident | 85 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 61% | 0.607 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 176.4 | -168.1 | 166.8 | -172.7 | 0 | 0 | 111.4 | N263 D264 V265 L269 R270 T271 | N263-E267 PolarHBondContact O-N 3.43Å; D264-E267 PolarHBondContact O-N 3.27Å; V265-E267 VanDerWaalsContact C-N 3.34Å; V265-E267 PolarHBondContact O-N 3.22Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 3.27Å; E267-R270 PolarHBondContact O-N 2.91Å; E267-T271 PolarHBondContact O-N 2.79Å; E267-T271 VanDerWaalsContact O-N 3.14Å; E267-T271 PolarHBondContact O-OG1 3.09Å |
| 268 | G | 90.3 | Very high | 86.2 | Confident | 30 Ų | 30 | 78 Ų | 78 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D264 V265 T271 R272 | D264-G268 PolarHBondContact O-N 2.94Å; V265-G268 PolarHBondContact O-N 2.85Å; G268-T271 PolarHBondContact O-OG1 3.27Å; G268-R272 WeakPolarHBondContact O-CG 3.45Å; G268-R272 PolarHBondContact O-N 3.33Å |
| 269 | L | 90.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.042 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72 | -41.2 | 173.5 | -70.8 | 169.6 | 0 | 0 | 0 | 111.4 | L125 Y128 L132 V265 V266 E267 T271 R272 I273 | L125-L269 HydrophobicContact CD2-CD2 3.54Å; Y128-L269 HydrophobicContact CD1-CD1 3.32Å; Y128-L269 HydrophobicContact CD1-CD2 3.65Å; Y128-L269 HydrophobicContact CD1-CG 4.07Å; Y128-L269 HydrophobicContact CE1-CD1 3.63Å; Y128-L269 HydrophobicContact CE1-CD2 4.14Å; Y128-L269 HydrophobicContact CE1-CG 4.34Å; Y128-L269 HydrophobicContact CG-CD1 4.02Å; L132-L269 HydrophobicContact CD1-CD1 3.86Å; V265-L269 HydrophobicContact CG1-CD1 3.9Å; V265-L269 HydrophobicContact CG1-CG 4.23Å; V265-L269 WeakPolarHBondContact O-CB 3.39Å; V265-L269 WeakPolarHBondContact O-CG 3.21Å; V265-L269 PolarHBondContact O-N 3.35Å; V266-L269 PolarHBondContact O-N 2.91Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 3.27Å; L269-T271 VanDerWaalsContact C-N 3.34Å; L269-T271 PolarHBondContact O-N 3.03Å; L269-R272 PolarHBondContact O-N 2.94Å; L269-I273 WeakPolarHBondContact O-CB 3.2Å; L269-I273 VanDerWaalsContact O-CG1 3.24Å; L269-I273 WeakPolarHBondContact O-CG1 3.29Å; L269-I273 PolarHBondContact O-N 3.17Å |
| 270 | R | 89.1 | Confident | 87.9 | Confident | 152 Ų | 152 | 74 Ų | 74 | 57% | 0.574 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.9 | -43.5 | 177.8 | -77.3 | 174.2 | 178.9 | 174.9 | -0.1 | 112.1 | V266 E267 I273 Q274 | V266-R270 VanDerWaalsContact O-CG 3.32Å; V266-R270 WeakPolarHBondContact O-CG 3.47Å; V266-R270 PolarHBondContact O-N 3.02Å; E267-R270 PolarHBondContact O-N 2.91Å; R270-I273 PolarHBondContact O-N 2.91Å; R270-Q274 WeakPolarHBondContact O-CB 3.35Å; R270-Q274 PolarHBondContact O-N 3.03Å |
| 271 | T | 92.5 | Very high | 88.5 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 47% | 0.466 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 177.2 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | E267 G268 L269 I273 Q274 D275 | E267-T271 PolarHBondContact O-N 2.79Å; E267-T271 VanDerWaalsContact O-N 3.14Å; E267-T271 PolarHBondContact O-OG1 3.09Å; G268-T271 PolarHBondContact O-OG1 3.27Å; L269-T271 VanDerWaalsContact C-N 3.34Å; L269-T271 PolarHBondContact O-N 3.03Å; T271-I273 PolarHBondContact O-N 3.36Å; T271-Q274 WeakPolarHBondContact O-CB 3.42Å; T271-Q274 PolarHBondContact O-N 3.43Å; T271-D275 VanDerWaalsContact O-CG 3.31Å; T271-D275 PolarHBondContact O-N 2.84Å |
| 272 | R | 91.8 | Very high | 89 | Confident | 159 Ų | 159 | 78 Ų | 78 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 176.5 | -72.1 | 176.9 | -177.6 | -170.2 | 2.1 | 113.6 | L125 G268 L269 Q274 D275 L276 | L125-R272 HydrophobicContact CD1-CB 4.39Å; G268-R272 WeakPolarHBondContact O-CG 3.45Å; G268-R272 PolarHBondContact O-N 3.33Å; L269-R272 PolarHBondContact O-N 2.94Å; R272-Q274 VanDerWaalsContact C-N 3.33Å; R272-D275 PolarHBondContact O-N 3.33Å; R272-L276 WeakPolarHBondContact O-CB 3.32Å; R272-L276 WeakPolarHBondContact O-CG 3.34Å; R272-L276 PolarHBondContact O-N 3.35Å |
| 273 | I | 91.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 78.6 Ų | 78.6 | 11% | 0.113 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.4 | -72.4 | 166.7 | 0 | 0 | 0 | 109.7 | L125 T126 T129 L269 R270 T271 L276 H277 | L125-I273 HydrophobicContact CB-CD1 4.13Å; L125-I273 HydrophobicContact CB-CG1 3.75Å; L125-I273 HydrophobicContact CD1-CG1 4.44Å; T126-I273 HydrophobicContact CG2-CD1 4.44Å; T129-I273 WeakPolarHBondContact OG1-CD1 3.49Å; L269-I273 WeakPolarHBondContact O-CB 3.2Å; L269-I273 VanDerWaalsContact O-CG1 3.24Å; L269-I273 WeakPolarHBondContact O-CG1 3.29Å; L269-I273 PolarHBondContact O-N 3.17Å; R270-I273 PolarHBondContact O-N 2.91Å; T271-I273 PolarHBondContact O-N 3.36Å; I273-L276 PolarHBondContact O-N 3.45Å; I273-H277 PolarHBondContact O-CD2 3.32Å; I273-H277 VanDerWaalsContact O-CD2 3.28Å; I273-H277 PolarHBondContact O-N 3.11Å |
| 274 | Q | 92.1 | Very high | 89.9 | Confident | 116 Ų | 116 | 78.5 Ų | 78.5 | 54% | 0.542 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.6 | -173.2 | 61.5 | 35 | 0 | 0 | 111.5 | R270 T271 R272 L276 H277 T278 | R270-Q274 WeakPolarHBondContact O-CB 3.35Å; R270-Q274 PolarHBondContact O-N 3.03Å; T271-Q274 WeakPolarHBondContact O-CB 3.42Å; T271-Q274 PolarHBondContact O-N 3.43Å; R272-Q274 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.48Å; Q274-H277 PolarHBondContact O-N 3.3Å; Q274-T278 WeakPolarHBondContact O-CG2 3.36Å; Q274-T278 PolarHBondContact O-N 3.44Å |
| 275 | D | 92.7 | Very high | 90.1 | Very high | 100 Ų | 100 | 76.7 Ų | 76.7 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.6 | -69.1 | -21.1 | 0 | 0 | 0 | 111.2 | T271 R272 H277 T278 V279 | T271-D275 VanDerWaalsContact O-CG 3.31Å; T271-D275 PolarHBondContact O-N 2.84Å; R272-D275 PolarHBondContact O-N 3.33Å; D275-H277 PolarHBondContact O-N 3.03Å; D275-T278 PolarHBondContact O-N 2.88Å; D275-T278 VanDerWaalsContact O-N 3.13Å; D275-T278 PolarHBondContact O-OG1 2.87Å; D275-V279 WeakPolarHBondContact O-CG2 3.28Å; D275-V279 PolarHBondContact O-N 3.37Å |
| 276 | L | 90.9 | Very high | 90.2 | Very high | 34 Ų | 34 | 79.9 Ų | 79.9 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.4 | -75.6 | 171.4 | 0 | 0 | 0 | 112.8 | L118 L125 R272 I273 Q274 T278 V279 L280 | L118-L276 HydrophobicContact CD2-CD2 3.64Å; L125-L276 HydrophobicContact CD1-CD1 3.27Å; R272-L276 WeakPolarHBondContact O-CB 3.32Å; R272-L276 WeakPolarHBondContact O-CG 3.34Å; R272-L276 PolarHBondContact O-N 3.35Å; I273-L276 PolarHBondContact O-N 3.45Å; Q274-L276 PolarHBondContact O-N 3.48Å; L276-T278 VanDerWaalsContact C-N 3.3Å; L276-T278 PolarHBondContact O-N 3.22Å; L276-V279 PolarHBondContact O-N 3.19Å; L276-L280 VanDerWaalsContact O-CB 3.27Å; L276-L280 WeakPolarHBondContact O-CB 3.34Å; L276-L280 PolarHBondContact O-N 3.12Å |
| 277 | H | 90.8 | Very high | 90.3 | Very high | 82 Ų | 82 | 79.5 Ų | 79.5 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60 | -41 | 172.6 | -88.6 | -62.5 | 0 | 0 | 0 | 111.8 | I273 Q274 D275 L280 H281 | I273-H277 PolarHBondContact O-CD2 3.32Å; I273-H277 VanDerWaalsContact O-CD2 3.28Å; I273-H277 PolarHBondContact O-N 3.11Å; Q274-H277 PolarHBondContact O-N 3.3Å; D275-H277 PolarHBondContact O-N 3.03Å; H277-L280 PolarHBondContact O-N 3.49Å; H277-H281 WeakPolarHBondContact O-CB 3.44Å; H277-H281 PolarHBondContact O-N 2.92Å |
| 278 | T | 92.3 | Very high | 90.3 | Very high | 65 Ų | 65 | 80.3 Ų | 80.3 | 40% | 0.399 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 177.2 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | Q274 D275 L276 R282 | Q274-T278 WeakPolarHBondContact O-CG2 3.36Å; Q274-T278 PolarHBondContact O-N 3.44Å; D275-T278 PolarHBondContact O-N 2.88Å; D275-T278 VanDerWaalsContact O-N 3.13Å; D275-T278 PolarHBondContact O-OG1 2.87Å; L276-T278 VanDerWaalsContact C-N 3.3Å; L276-T278 PolarHBondContact O-N 3.22Å; T278-R282 WeakPolarHBondContact O-CG 3.25Å; T278-R282 PolarHBondContact O-N 2.8Å; T278-R282 VanDerWaalsContact O-N 3.12Å |
| 279 | V | 92.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 84.3 Ų | 84.3 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | L118 D275 L276 H281 R282 T283 | L118-V279 HydrophobicContact CD1-CG1 3.86Å; L118-V279 HydrophobicContact CD2-CG1 4.32Å; D275-V279 WeakPolarHBondContact O-CG2 3.28Å; D275-V279 PolarHBondContact O-N 3.37Å; L276-V279 PolarHBondContact O-N 3.19Å; V279-H281 PolarHBondContact O-N 3.45Å; V279-R282 PolarHBondContact O-N 3.26Å; V279-T283 HydrophobicContact CG1-CG2 4.32Å; V279-T283 WeakPolarHBondContact O-CG2 3.16Å; V279-T283 PolarHBondContact O-N 3.43Å; V279-T283 PolarHBondContact O-OG1 3.07Å |
| 280 | L | 90.2 | Very high | 90 | Very high | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.115 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.9 | -170.5 | 97.6 | 0 | 0 | 0 | 111.2 | L118 Q119 L276 H277 R282 T283 E284 | L118-L280 HydrophobicContact CB-CD1 4.11Å; Q119-L280 HydrophobicContact CG-CD1 3.65Å; L276-L280 VanDerWaalsContact O-CB 3.27Å; L276-L280 WeakPolarHBondContact O-CB 3.34Å; L276-L280 PolarHBondContact O-N 3.12Å; H277-L280 PolarHBondContact O-N 3.49Å; L280-R282 VanDerWaalsContact C-N 3.3Å; L280-R282 PolarHBondContact O-N 3Å; L280-T283 WeakPolarHBondContact CA-OG1 3.36Å; L280-T283 PolarHBondContact O-N 3.13Å; L280-T283 PolarHBondContact O-OG1 2.69Å; L280-E284 WeakPolarHBondContact O-CB 3.34Å; L280-E284 WeakPolarHBondContact O-CG 3.44Å; L280-E284 PolarHBondContact O-N 3.45Å |
| 281 | H | 90.3 | Very high | 89.8 | Confident | 111 Ų | 111 | 78 Ų | 78 | 51% | 0.514 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.3 | -170.7 | -65.2 | 0 | 0 | 0 | 111.3 | H277 V279 E284 D285 | H277-H281 WeakPolarHBondContact O-CB 3.44Å; H277-H281 PolarHBondContact O-N 2.92Å; V279-H281 PolarHBondContact O-N 3.45Å; H281-E284 PolarHBondContact O-N 3.49Å; H281-D285 IonicContact CE1-OD1 3.44Å; H281-D285 IonicContact CE1-OD2 3.32Å; H281-D285 PolarHBondContact CE1-OD2 3.35Å; H281-D285 IonicContact ND1-OD1 3.07Å; H281-D285 IonicContact ND1-OD2 3.18Å; H281-D285 PolarHBondContact ND1-OD2 3.31Å; H281-D285 WeakPolarHBondContact O-CB 3.41Å; H281-D285 VanDerWaalsContact O-CG 3.22Å; H281-D285 PolarHBondContact O-N 3.31Å |
| 282 | R | 91.2 | Very high | 89.5 | Confident | 192 Ų | 192 | 77.8 Ų | 77.8 | 73% | 0.725 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.5 | -37.8 | 176.9 | -75.3 | -178.5 | 177.1 | -178.2 | 2 | 112.9 | T278 V279 L280 Y286 | T278-R282 WeakPolarHBondContact O-CG 3.25Å; T278-R282 PolarHBondContact O-N 2.8Å; T278-R282 VanDerWaalsContact O-N 3.12Å; V279-R282 PolarHBondContact O-N 3.26Å; L280-R282 VanDerWaalsContact C-N 3.3Å; L280-R282 PolarHBondContact O-N 3Å; R282-Y286 WeakPolarHBondContact O-CB 3.42Å; R282-Y286 PolarHBondContact O-N 3.39Å |
| 283 | T | 89.9 | Confident | 89.1 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.1 | -36.6 | 177 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | L118 V279 L280 Y286 L287 | L118-T283 HydrophobicContact CD1-CG2 4.06Å; V279-T283 HydrophobicContact CG1-CG2 4.32Å; V279-T283 WeakPolarHBondContact O-CG2 3.16Å; V279-T283 PolarHBondContact O-N 3.43Å; V279-T283 PolarHBondContact O-OG1 3.07Å; L280-T283 WeakPolarHBondContact CA-OG1 3.36Å; L280-T283 PolarHBondContact O-N 3.13Å; L280-T283 PolarHBondContact O-OG1 2.69Å; T283-Y286 PolarHBondContact O-N 3.04Å; T283-L287 VanDerWaalsContact O-CB 3.29Å; T283-L287 WeakPolarHBondContact O-CB 3.34Å; T283-L287 PolarHBondContact O-N 3.3Å |
| 284 | E | 86.4 | Confident | 88.8 | Confident | 67 Ų | 67 | 76.5 Ų | 76.5 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 173.3 | -72.9 | -170.8 | 151.2 | 0 | 0 | 112.5 | K115 L280 H281 Y286 L287 R288 | K115-E284 HydrophobicContact CD-CG 4.31Å; K115-E284 WeakPolarHBondContact CE-OE1 3.48Å; K115-E284 IonicContact NZ-OE1 3.88Å; K115-E284 PolarHBondContact NZ-OE1 3.37Å; L280-E284 WeakPolarHBondContact O-CB 3.34Å; L280-E284 WeakPolarHBondContact O-CG 3.44Å; L280-E284 PolarHBondContact O-N 3.45Å; H281-E284 PolarHBondContact O-N 3.49Å; E284-Y286 VanDerWaalsContact C-N 3.34Å; E284-Y286 PolarHBondContact O-N 2.69Å; E284-L287 PolarHBondContact O-N 2.79Å; E284-R288 WeakPolarHBondContact O-CB 3.4Å; E284-R288 PolarHBondContact O-N 3.4Å |
| 285 | D | 88.8 | Confident | 88.4 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 174.3 | -74.3 | -30.2 | 0 | 0 | 0 | 111.2 | H281 R288 Q289 | H281-D285 IonicContact CE1-OD1 3.44Å; H281-D285 IonicContact CE1-OD2 3.32Å; H281-D285 PolarHBondContact CE1-OD2 3.35Å; H281-D285 IonicContact ND1-OD1 3.07Å; H281-D285 IonicContact ND1-OD2 3.18Å; H281-D285 PolarHBondContact ND1-OD2 3.31Å; H281-D285 WeakPolarHBondContact O-CB 3.41Å; H281-D285 VanDerWaalsContact O-CG 3.22Å; H281-D285 PolarHBondContact O-N 3.31Å; D285-R288 PolarHBondContact O-N 2.93Å; D285-Q289 VanDerWaalsContact O-CG 3.29Å; D285-Q289 WeakPolarHBondContact O-CG 3.21Å; D285-Q289 PolarHBondContact O-N 3.34Å |
| 286 | Y | 89.6 | Confident | 87.8 | Confident | 116 Ų | 116 | 72.9 Ų | 72.9 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 176.5 | -178.4 | -103.5 | 0 | 0 | 0 | 111.5 | V111 R282 T283 E284 R288 Q289 V290 | V111-Y286 HydrophobicContact CG1-CD1 4.47Å; V111-Y286 HydrophobicContact CG2-CD1 3.99Å; V111-Y286 HydrophobicContact CG2-CE1 3.82Å; R282-Y286 WeakPolarHBondContact O-CB 3.42Å; R282-Y286 PolarHBondContact O-N 3.39Å; T283-Y286 PolarHBondContact O-N 3.04Å; E284-Y286 VanDerWaalsContact C-N 3.34Å; E284-Y286 PolarHBondContact O-N 2.69Å; Y286-R288 VanDerWaalsContact C-N 3.32Å; Y286-R288 PolarHBondContact O-N 2.83Å; Y286-Q289 PolarHBondContact O-N 3Å; Y286-V290 HydrophobicContact CD1-CG2 4.37Å; Y286-V290 HydrophobicContact CE1-CG2 3.95Å; Y286-V290 HydrophobicContact CE2-CG2 4.32Å; Y286-V290 WeakPolarHBondContact O-CG2 3.43Å; Y286-V290 PolarHBondContact O-N 3Å |
| 287 | L | 86.9 | Confident | 87.4 | Confident | 21 Ų | 21 | 72.6 Ų | 72.6 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.8 | -47.9 | 175.4 | 177.8 | 63.7 | 0 | 0 | 0 | 111 | L108 V111 K115 T283 E284 Q289 V290 L291 | L108-L287 HydrophobicContact CD1-CD1 3.23Å; L108-L287 HydrophobicContact CG-CD1 4.42Å; V111-L287 HydrophobicContact CG1-CB 4Å; V111-L287 HydrophobicContact CG1-CD1 4.03Å; K115-L287 HydrophobicContact CD-CD2 4.3Å; T283-L287 VanDerWaalsContact O-CB 3.29Å; T283-L287 WeakPolarHBondContact O-CB 3.34Å; T283-L287 PolarHBondContact O-N 3.3Å; E284-L287 PolarHBondContact O-N 2.79Å; L287-Q289 VanDerWaalsContact C-N 3.34Å; L287-Q289 PolarHBondContact O-N 2.88Å; L287-V290 PolarHBondContact O-N 2.72Å; L287-L291 HydrophobicContact CD1-CD1 4.16Å; L287-L291 HydrophobicContact CD1-CG 4.32Å; L287-L291 HydrophobicContact CG-CD1 3.97Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.43Å; L287-L291 PolarHBondContact O-N 2.91Å |
| 288 | R | 86.7 | Confident | 87 | Confident | 146 Ų | 146 | 68.7 Ų | 68.7 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | 179.2 | -166.6 | 175.6 | -169.5 | 150.1 | 7.1 | 111.8 | E284 D285 Y286 L291 I292 | E284-R288 WeakPolarHBondContact O-CB 3.4Å; E284-R288 PolarHBondContact O-N 3.4Å; D285-R288 PolarHBondContact O-N 2.93Å; Y286-R288 VanDerWaalsContact C-N 3.32Å; Y286-R288 PolarHBondContact O-N 2.83Å; R288-L291 PolarHBondContact O-N 3.38Å; R288-I292 HydrophobicContact CG-CD1 4.07Å; R288-I292 WeakPolarHBondContact O-CD1 3.26Å; R288-I292 WeakPolarHBondContact O-CG1 3.49Å; R288-I292 PolarHBondContact O-N 3.4Å |
| 289 | Q | 87.8 | Confident | 86.3 | Confident | 114 Ų | 114 | 67.6 Ų | 67.6 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 176.4 | -73.4 | 175.7 | 14.1 | 0 | 0 | 112.6 | D285 Y286 L287 I292 K293 | D285-Q289 VanDerWaalsContact O-CG 3.29Å; D285-Q289 WeakPolarHBondContact O-CG 3.21Å; D285-Q289 PolarHBondContact O-N 3.34Å; Y286-Q289 PolarHBondContact O-N 3Å; L287-Q289 VanDerWaalsContact C-N 3.34Å; L287-Q289 PolarHBondContact O-N 2.88Å; Q289-I292 PolarHBondContact O-N 2.76Å; Q289-K293 WeakPolarHBondContact O-CG 3.26Å; Q289-K293 PolarHBondContact O-N 3.45Å; Q289-K293 VanDerWaalsContact O-N 3.09Å |
| 290 | V | 86 | Confident | 85.8 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 14% | 0.139 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 175.5 | 174 | 0 | 0 | 0 | 0 | 110.3 | L104 Y286 L287 I292 K293 A294 | L104-V290 HydrophobicContact CD2-CG1 4.45Å; Y286-V290 HydrophobicContact CD1-CG2 4.37Å; Y286-V290 HydrophobicContact CE1-CG2 3.95Å; Y286-V290 HydrophobicContact CE2-CG2 4.32Å; Y286-V290 WeakPolarHBondContact O-CG2 3.43Å; Y286-V290 PolarHBondContact O-N 3Å; L287-V290 PolarHBondContact O-N 2.72Å; V290-I292 VanDerWaalsContact C-N 3.34Å; V290-I292 PolarHBondContact O-N 2.9Å; V290-K293 PolarHBondContact O-N 3.3Å; V290-A294 WeakPolarHBondContact O-CB 3.4Å; V290-A294 PolarHBondContact O-N 3.32Å |
| 291 | L | 85.8 | Confident | 85.6 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 177.9 | -71.5 | 172.7 | 0 | 0 | 0 | 112.8 | E71 I72 A75 I77 L108 L287 R288 A294 S295 | E71-L291 HydrophobicContact CB-CD2 4.22Å; I72-L291 HydrophobicContact CG1-CD2 3.98Å; A75-L291 HydrophobicContact CB-CD1 3.9Å; I77-L291 HydrophobicContact CD1-CB 3.56Å; I77-L291 HydrophobicContact CD1-CD1 4.3Å; L108-L291 HydrophobicContact CD1-CD2 4.02Å; L108-L291 HydrophobicContact CD1-CG 4.37Å; L108-L291 HydrophobicContact CD2-CD2 4.25Å; L287-L291 HydrophobicContact CD1-CD1 4.16Å; L287-L291 HydrophobicContact CD1-CG 4.32Å; L287-L291 HydrophobicContact CG-CD1 3.97Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.43Å; L287-L291 PolarHBondContact O-N 2.91Å; R288-L291 PolarHBondContact O-N 3.38Å; L291-A294 PolarHBondContact O-N 2.95Å; L291-S295 VanDerWaalsContact O-CB 3.32Å; L291-S295 WeakPolarHBondContact O-CB 3.09Å; L291-S295 PolarHBondContact O-N 3.47Å |
| 292 | I | 85.8 | Confident | 85.2 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 174.3 | -70.4 | 163.2 | 0 | 0 | 0 | 110.7 | I77 R288 Q289 V290 A294 S295 E296 | I77-I292 HydrophobicContact CD1-CG1 4.19Å; I77-I292 HydrophobicContact CG2-CG1 4.39Å; R288-I292 HydrophobicContact CG-CD1 4.07Å; R288-I292 WeakPolarHBondContact O-CD1 3.26Å; R288-I292 WeakPolarHBondContact O-CG1 3.49Å; R288-I292 PolarHBondContact O-N 3.4Å; Q289-I292 PolarHBondContact O-N 2.76Å; V290-I292 VanDerWaalsContact C-N 3.34Å; V290-I292 PolarHBondContact O-N 2.9Å; I292-A294 VanDerWaalsContact C-N 3.3Å; I292-A294 PolarHBondContact O-N 2.91Å; I292-S295 PolarHBondContact O-N 3.48Å; I292-S295 PolarHBondContact O-OG 2.86Å; I292-E296 PolarHBondContact O-N 3.23Å |
| 293 | K | 84.1 | Confident | 84.8 | Confident | 150 Ų | 150 | 53.7 Ų | 53.7 | 65% | 0.652 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.3 | -38.6 | 176.2 | -70.9 | 176.3 | -178.4 | 176.3 | 0 | 112 | Q289 V290 S297 | Q289-K293 WeakPolarHBondContact O-CG 3.26Å; Q289-K293 PolarHBondContact O-N 3.45Å; Q289-K293 VanDerWaalsContact O-N 3.09Å; V290-K293 PolarHBondContact O-N 3.3Å; K293-S297 PolarHBondContact O-OG 3.35Å |
| 294 | A | 84.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V290 L291 I292 E296 S297 V298 | V290-A294 WeakPolarHBondContact O-CB 3.4Å; V290-A294 PolarHBondContact O-N 3.32Å; L291-A294 PolarHBondContact O-N 2.95Å; I292-A294 VanDerWaalsContact C-N 3.3Å; I292-A294 PolarHBondContact O-N 2.91Å; A294-E296 PolarHBondContact O-N 2.96Å; A294-S297 PolarHBondContact O-N 3.3Å; A294-S297 PolarHBondContact O-OG 2.85Å; A294-V298 HydrophobicContact CB-CG2 4.21Å; A294-V298 WeakPolarHBondContact O-CB 3.43Å; A294-V298 WeakPolarHBondContact O-CG2 3.43Å; A294-V298 PolarHBondContact O-N 2.89Å |
| 295 | S | 82.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -28.2 | -175.3 | 75.9 | 0 | 0 | 0 | 0 | 113.6 | L291 I292 S297 | L291-S295 VanDerWaalsContact O-CB 3.32Å; L291-S295 WeakPolarHBondContact O-CB 3.09Å; L291-S295 PolarHBondContact O-N 3.47Å; I292-S295 PolarHBondContact O-N 3.48Å; I292-S295 PolarHBondContact O-OG 2.86Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact O-N 2.93Å |
| 296 | E | 82.1 | Confident | 84.3 | Confident | 135 Ų | 135 | 48.5 Ų | 48.5 | 63% | 0.631 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.5 | -32.4 | 174.8 | -69.5 | -176.8 | 175.1 | 0 | 0 | 113.6 | I292 A294 | I292-E296 PolarHBondContact O-N 3.23Å; A294-E296 PolarHBondContact O-N 2.96Å |
| 297 | S | 81 | Confident | 84.2 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -109.7 | -25.1 | -171.2 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | K293 A294 S295 Y299 T300 W301 | K293-S297 PolarHBondContact O-OG 3.35Å; A294-S297 PolarHBondContact O-N 3.3Å; A294-S297 PolarHBondContact O-OG 2.85Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact O-N 2.93Å; S297-Y299 VanDerWaalsContact C-N 3.29Å; S297-Y299 PolarHBondContact O-N 2.88Å; S297-T300 PolarHBondContact O-N 3.39Å; S297-T300 PolarHBondContact O-OG1 2.83Å; S297-W301 PolarHBondContact O-N 3.27Å; S297-W301 VanDerWaalsContact O-N 3.12Å; S297-W301 WeakPolarHBondContact OG-CH2 3.27Å; S297-W301 VanDerWaalsContact OG-CZ3 3.26Å; S297-W301 WeakPolarHBondContact OG-CZ3 3.38Å |
| 298 | V | 82.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -51.9 | -45 | -178.8 | 160.9 | 0 | 0 | 0 | 0 | 112 | L65 L68 L69 I72 A294 T300 W301 V302 | L65-V298 HydrophobicContact CD2-CG1 4.46Å; L68-V298 HydrophobicContact CD1-CG2 4.42Å; L69-V298 HydrophobicContact CD2-CG1 4.23Å; L69-V298 HydrophobicContact CG-CG1 4.07Å; I72-V298 HydrophobicContact CD1-CG2 4.2Å; A294-V298 HydrophobicContact CB-CG2 4.21Å; A294-V298 WeakPolarHBondContact O-CB 3.43Å; A294-V298 WeakPolarHBondContact O-CG2 3.43Å; A294-V298 PolarHBondContact O-N 2.89Å; V298-T300 VanDerWaalsContact C-N 3.29Å; V298-T300 PolarHBondContact O-N 3.42Å; V298-W301 HydrophobicContact CG2-CE3 4.15Å; V298-W301 HydrophobicContact CG2-CZ3 4.29Å; V298-W301 PolarHBondContact O-N 3.48Å; V298-V302 HydrophobicContact CG1-CG2 4.08Å; V298-V302 WeakPolarHBondContact O-CB 3.31Å; V298-V302 WeakPolarHBondContact O-CG2 3.48Å; V298-V302 PolarHBondContact O-N 2.63Å |
| 299 | Y | 78.1 | Confident | 84.2 | Confident | 41 Ų | 41 | 37.1 Ų | 37.1 | 16% | 0.161 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 179.7 | -174.9 | -99.5 | 0 | 0 | 0 | 112.9 | R82 S297 V302 V303 | R82-Y299 WeakPolarHBondContact O-CE1 3.36Å; S297-Y299 VanDerWaalsContact C-N 3.29Å; S297-Y299 PolarHBondContact O-N 2.88Å; Y299-V302 WeakPolarHBondContact O-CB 3.45Å; Y299-V303 HydrophobicContact CE1-CG2 4.36Å; Y299-V303 PolarHBondContact O-N 2.99Å |
| 300 | T | 82.2 | Confident | 84.2 | Confident | 45 Ų | 45 | 32.4 Ų | 32.4 | 28% | 0.276 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.1 | -41.4 | 177.6 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | S297 V298 V302 V303 Q304 | S297-T300 PolarHBondContact O-N 3.39Å; S297-T300 PolarHBondContact O-OG1 2.83Å; V298-T300 VanDerWaalsContact C-N 3.29Å; V298-T300 PolarHBondContact O-N 3.42Å; T300-V302 PolarHBondContact O-N 3.15Å; T300-V303 PolarHBondContact O-N 3.4Å; T300-Q304 WeakPolarHBondContact O-CB 3.32Å; T300-Q304 VanDerWaalsContact O-CG 3.27Å; T300-Q304 WeakPolarHBondContact O-CG 3.2Å; T300-Q304 PolarHBondContact O-N 3.12Å |
| 301 | W | 85 | Confident | 84.4 | Confident | 29 Ų | 29 | 31.3 Ų | 31.3 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 176.6 | -65.3 | -33.2 | 0 | 0 | 0 | 112.1 | L65 I97 L101 L104 S297 V298 V303 Q304 V305 | L65-W301 HydrophobicContact CD1-CB 4.32Å; L65-W301 HydrophobicContact CD2-CB 3.96Å; L65-W301 HydrophobicContact CD2-CE3 4.33Å; I97-W301 HydrophobicContact CG2-CG 4.39Å; L101-W301 HydrophobicContact CD2-CD2 4.29Å; L101-W301 HydrophobicContact CD2-CE3 3.73Å; L101-W301 HydrophobicContact CD2-CZ3 4.08Å; L104-W301 HydrophobicContact CD1-CH2 3.79Å; L104-W301 HydrophobicContact CD1-CZ3 3.84Å; S297-W301 PolarHBondContact O-N 3.27Å; S297-W301 VanDerWaalsContact O-N 3.12Å; S297-W301 WeakPolarHBondContact OG-CH2 3.27Å; S297-W301 VanDerWaalsContact OG-CZ3 3.26Å; S297-W301 WeakPolarHBondContact OG-CZ3 3.38Å; V298-W301 HydrophobicContact CG2-CE3 4.15Å; V298-W301 HydrophobicContact CG2-CZ3 4.29Å; V298-W301 PolarHBondContact O-N 3.48Å; W301-V303 PolarHBondContact O-N 3.45Å; W301-Q304 PolarHBondContact O-N 2.99Å; W301-V305 WeakPolarHBondContact O-CB 3.38Å; W301-V305 VanDerWaalsContact O-CG2 3.29Å; W301-V305 WeakPolarHBondContact O-CG2 3.46Å; W301-V305 PolarHBondContact O-N 3.39Å |
| 302 | V | 82.9 | Confident | 84.5 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -51.8 | -54.8 | 173.2 | 162.6 | 0 | 0 | 0 | 0 | 111.1 | L69 V298 Y299 T300 Q304 K306 F844 | L69-V302 HydrophobicContact CD1-CG2 4.28Å; V298-V302 HydrophobicContact CG1-CG2 4.08Å; V298-V302 WeakPolarHBondContact O-CB 3.31Å; V298-V302 WeakPolarHBondContact O-CG2 3.48Å; V298-V302 PolarHBondContact O-N 2.63Å; Y299-V302 WeakPolarHBondContact O-CB 3.45Å; T300-V302 PolarHBondContact O-N 3.15Å; V302-Q304 PolarHBondContact O-N 3.45Å; V302-K306 WeakPolarHBondContact O-CG 3.27Å; V302-K306 PolarHBondContact O-N 3.23Å; V302-K306 VanDerWaalsContact O-N 3.08Å; V302-F844 HydrophobicContact CB-CD2 4.15Å; V302-F844 HydrophobicContact CB-CE2 3.62Å; V302-F844 HydrophobicContact CG1-CD2 3.45Å; V302-F844 VanDerWaalsContact CG1-CD2 3.45Å; V302-F844 HydrophobicContact CG1-CE2 3.15Å; V302-F844 HydrophobicContact CG1-CZ 4.18Å; V302-F844 HydrophobicContact CG2-CD2 3.75Å; V302-F844 HydrophobicContact CG2-CE2 3.4Å |
| 303 | V | 81.7 | Confident | 84.7 | Confident | 21 Ų | 21 | 35 Ų | 35 | 13% | 0.127 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -41 | -176.7 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | P86 Y299 T300 W301 K306 K307 | P86-V303 HydrophobicContact CG-CB 4.02Å; P86-V303 HydrophobicContact CG-CG1 3.89Å; Y299-V303 HydrophobicContact CE1-CG2 4.36Å; Y299-V303 PolarHBondContact O-N 2.99Å; T300-V303 PolarHBondContact O-N 3.4Å; W301-V303 PolarHBondContact O-N 3.45Å; V303-K306 PolarHBondContact O-N 3.23Å; V303-K307 HydrophobicContact CG1-CD 4.3Å; V303-K307 HydrophobicContact CG1-CG 4.4Å; V303-K307 WeakPolarHBondContact O-CB 3.36Å; V303-K307 WeakPolarHBondContact O-CG 3.42Å; V303-K307 PolarHBondContact O-N 3.46Å |
| 304 | Q | 84.9 | Confident | 84.9 | Confident | 37 Ų | 37 | 28.4 Ų | 28.4 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 178.7 | -75 | 177.6 | -17.1 | 0 | 0 | 112.7 | P86 P89 T300 W301 V302 K307 M308 | P86-Q304 HydrophobicContact CB-CG 4.11Å; P86-Q304 HydrophobicContact CG-CG 3.93Å; P89-Q304 HydrophobicContact CG-CB 4.07Å; P89-Q304 HydrophobicContact CG-CG 4.4Å; T300-Q304 WeakPolarHBondContact O-CB 3.32Å; T300-Q304 VanDerWaalsContact O-CG 3.27Å; T300-Q304 WeakPolarHBondContact O-CG 3.2Å; T300-Q304 PolarHBondContact O-N 3.12Å; W301-Q304 PolarHBondContact O-N 2.99Å; V302-Q304 PolarHBondContact O-N 3.45Å; Q304-K307 PolarHBondContact O-N 2.98Å; Q304-M308 VanDerWaalsContact O-CB 3.26Å; Q304-M308 WeakPolarHBondContact O-CB 3.46Å; Q304-M308 PolarHBondContact O-N 2.82Å |
| 305 | V | 86.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 179 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | C58 M61 E62 L65 W301 M308 K309 | C58-V305 HydrophobicContact CB-CG1 4.49Å; M61-V305 HydrophobicContact CB-CG1 4.06Å; M61-V305 HydrophobicContact CB-CG2 4.12Å; M61-V305 HydrophobicContact SD-CG2 4.23Å; E62-V305 HydrophobicContact CG-CG1 3.6Å; L65-V305 HydrophobicContact CD1-CB 4.26Å; L65-V305 HydrophobicContact CD1-CG2 3.92Å; W301-V305 WeakPolarHBondContact O-CB 3.38Å; W301-V305 VanDerWaalsContact O-CG2 3.29Å; W301-V305 WeakPolarHBondContact O-CG2 3.46Å; W301-V305 PolarHBondContact O-N 3.39Å; V305-M308 HydrophobicContact CG1-CE 4.3Å; V305-M308 HydrophobicContact CG2-CE 4.42Å; V305-M308 WeakPolarHBondContact O-CB 3.22Å; V305-M308 PolarHBondContact O-N 3.29Å; V305-K309 WeakPolarHBondContact O-CB 3.2Å; V305-K309 PolarHBondContact O-N 3.48Å |
| 306 | K | 85 | Confident | 85.5 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 8% | 0.083 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 175.2 | -74 | -171.2 | -178.6 | -168.1 | 0 | 112.5 | V302 V303 M308 K309 A310 L840 P841 S843 F844 | V302-K306 WeakPolarHBondContact O-CG 3.27Å; V302-K306 PolarHBondContact O-N 3.23Å; V302-K306 VanDerWaalsContact O-N 3.08Å; V303-K306 PolarHBondContact O-N 3.23Å; K306-M308 VanDerWaalsContact C-N 3.29Å; K306-M308 PolarHBondContact O-N 3.15Å; K306-K309 PolarHBondContact O-N 3.11Å; K306-A310 WeakPolarHBondContact O-CB 3.32Å; K306-A310 PolarHBondContact O-N 3.3Å; K306-L840 HydrophobicContact CB-CD1 4.44Å; K306-P841 PolarHBondContact NZ-O 2.88Å; K306-S843 PolarHBondContact NZ-O 3.49Å; K306-F844 HydrophobicContact CG-CZ 4.47Å |
| 307 | K | 86.1 | Confident | 85.7 | Confident | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.2 | -43.7 | 174.9 | -74.7 | -172.8 | 176.5 | -167.4 | 0 | 111.1 | E31 P86 A88 V303 Q304 A310 I311 F837 L840 | E31-K307 IonicContact OE1-NZ 2.99Å; E31-K307 PolarHBondContact OE1-NZ 2.69Å; E31-K307 IonicContact OE2-NZ 2.59Å; P86-K307 PolarHBondContact O-NZ 2.9Å; A88-K307 HydrophobicContact CB-CB 4.49Å; A88-K307 HydrophobicContact CB-CD 4.46Å; V303-K307 HydrophobicContact CG1-CD 4.3Å; V303-K307 HydrophobicContact CG1-CG 4.4Å; V303-K307 WeakPolarHBondContact O-CB 3.36Å; V303-K307 WeakPolarHBondContact O-CG 3.42Å; V303-K307 PolarHBondContact O-N 3.46Å; Q304-K307 PolarHBondContact O-N 2.98Å; K307-A310 WeakPolarHBondContact O-CB 2.97Å; K307-A310 PolarHBondContact O-N 3.37Å; K307-I311 VanDerWaalsContact O-CG1 3.31Å; K307-I311 WeakPolarHBondContact O-CG1 3.44Å; K307-I311 PolarHBondContact O-N 2.66Å; K307-F837 HydrophobicContact CB-CD1 4.14Å; K307-F837 HydrophobicContact CB-CE1 4.01Å; K307-F837 HydrophobicContact CB-CZ 4.38Å; K307-F837 HydrophobicContact CD-CB 4.38Å; K307-F837 HydrophobicContact CD-CD1 4.37Å; K307-F837 HydrophobicContact CD-CD2 4.05Å; K307-F837 HydrophobicContact CD-CE2 4.42Å; K307-F837 HydrophobicContact CD-CG 4.03Å; K307-F837 HydrophobicContact CG-CB 4.27Å; K307-F837 HydrophobicContact CG-CD1 3.75Å; K307-F837 HydrophobicContact CG-CD2 4.32Å; K307-F837 HydrophobicContact CG-CE1 4.12Å; K307-F837 HydrophobicContact CG-CG 3.86Å; K307-L840 HydrophobicContact CG-CD1 4.06Å |
| 308 | M | 85.4 | Confident | 86.1 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.015 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 178.7 | 176.4 | 177.1 | 77.1 | 0 | 0 | 112.6 | C58 M61 I94 Q304 V305 K306 A310 I311 Y312 | C58-M308 HydrophobicContact CB-CE 3.96Å; C58-M308 WeakPolarHBondContact SG-CE 3.15Å; M61-M308 HydrophobicContact CE-CE 4.2Å; M61-M308 HydrophobicContact SD-CE 3.89Å; I94-M308 HydrophobicContact CB-SD 4.07Å; I94-M308 HydrophobicContact CD1-CG 4.13Å; I94-M308 HydrophobicContact CD1-SD 3.33Å; I94-M308 WeakPolarHBondContact CD1-SD 3.36Å; I94-M308 HydrophobicContact CG1-SD 3.41Å; I94-M308 WeakPolarHBondContact CG1-SD 3.47Å; I94-M308 HydrophobicContact CG2-CE 4.05Å; I94-M308 HydrophobicContact CG2-SD 3.54Å; I94-M308 VanDerWaalsContact CG2-SD 3.54Å; Q304-M308 VanDerWaalsContact O-CB 3.26Å; Q304-M308 WeakPolarHBondContact O-CB 3.46Å; Q304-M308 PolarHBondContact O-N 2.82Å; V305-M308 HydrophobicContact CG1-CE 4.3Å; V305-M308 HydrophobicContact CG2-CE 4.42Å; V305-M308 WeakPolarHBondContact O-CB 3.22Å; V305-M308 PolarHBondContact O-N 3.29Å; K306-M308 VanDerWaalsContact C-N 3.29Å; K306-M308 PolarHBondContact O-N 3.15Å; M308-A310 VanDerWaalsContact C-N 3.27Å; M308-A310 PolarHBondContact O-N 3.38Å; M308-I311 PolarHBondContact O-N 3.41Å; M308-Y312 HydrophobicContact CG-CD2 3.73Å; M308-Y312 HydrophobicContact CG-CE2 3.43Å; M308-Y312 VanDerWaalsContact CG-CE2 3.43Å; M308-Y312 VanDerWaalsContact O-CD2 3.27Å; M308-Y312 WeakPolarHBondContact O-CD2 3.35Å; M308-Y312 PolarHBondContact O-N 3.44Å; M308-Y312 HydrophobicContact SD-CE2 4.14Å |
| 309 | K | 87.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 23.7 Ų | 23.7 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.9 | -43.5 | 175.8 | -174.3 | 178.6 | -176.4 | 176.9 | 0 | 111.1 | C58 E59 E62 V305 K306 Y312 Y313 L850 | C58-K309 HydrophobicContact CB-CB 4.01Å; C58-K309 HydrophobicContact CB-CG 4.32Å; E59-K309 IonicContact OE1-NZ 2.76Å; E62-K309 WeakPolarHBondContact OE1-CD 3.46Å; E62-K309 IonicContact OE1-NZ 3.67Å; E62-K309 WeakPolarHBondContact OE2-CD 3.3Å; E62-K309 IonicContact OE2-NZ 3.67Å; E62-K309 PolarHBondContact OE2-NZ 3.19Å; V305-K309 WeakPolarHBondContact O-CB 3.2Å; V305-K309 PolarHBondContact O-N 3.48Å; K306-K309 PolarHBondContact O-N 3.11Å; K309-Y312 PolarHBondContact O-N 2.9Å; K309-Y313 WeakPolarHBondContact O-CB 3.43Å; K309-Y313 PolarHBondContact O-N 2.99Å; K309-L850 HydrophobicContact CD-CD1 4.05Å |
| 310 | A | 88.4 | Confident | 86.4 | Confident | 14 Ų | 14 | 26 Ų | 26 | 12% | 0.116 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K306 K307 M308 Y313 I314 F835 F837 L840 | K306-A310 WeakPolarHBondContact O-CB 3.32Å; K306-A310 PolarHBondContact O-N 3.3Å; K307-A310 WeakPolarHBondContact O-CB 2.97Å; K307-A310 PolarHBondContact O-N 3.37Å; M308-A310 VanDerWaalsContact C-N 3.27Å; M308-A310 PolarHBondContact O-N 3.38Å; A310-Y313 PolarHBondContact O-N 3.35Å; A310-I314 WeakPolarHBondContact O-CG1 3.42Å; A310-I314 PolarHBondContact O-N 3.2Å; A310-I314 VanDerWaalsContact O-N 3.08Å; A310-F835 HydrophobicContact CB-CE2 3.97Å; A310-F835 HydrophobicContact CB-CZ 4.32Å; A310-F837 HydrophobicContact CB-CE1 4.35Å; A310-L840 HydrophobicContact CB-CD1 4.46Å |
| 311 | I | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -47.8 | 175.7 | -65.8 | 161.9 | 0 | 0 | 0 | 111.2 | Y23 I26 A88 K307 M308 Y313 I314 L315 F837 | Y23-I311 HydrophobicContact CD2-CG2 3.6Å; Y23-I311 HydrophobicContact CE1-CD1 4.21Å; Y23-I311 HydrophobicContact CE2-CB 4.18Å; Y23-I311 HydrophobicContact CE2-CD1 4.21Å; Y23-I311 HydrophobicContact CE2-CG2 3.63Å; Y23-I311 HydrophobicContact CG-CG2 4.28Å; I26-I311 HydrophobicContact CB-CG2 4.2Å; I26-I311 HydrophobicContact CG2-CB 4.35Å; I26-I311 HydrophobicContact CG2-CG1 4.27Å; I26-I311 HydrophobicContact CG2-CG2 3.9Å; A88-I311 HydrophobicContact CB-CD1 3.95Å; K307-I311 VanDerWaalsContact O-CG1 3.31Å; K307-I311 WeakPolarHBondContact O-CG1 3.44Å; K307-I311 PolarHBondContact O-N 2.66Å; M308-I311 PolarHBondContact O-N 3.41Å; I311-Y313 VanDerWaalsContact C-N 3.29Å; I311-Y313 PolarHBondContact O-N 3.21Å; I311-I314 PolarHBondContact O-N 3.19Å; I311-L315 HydrophobicContact CG2-CD1 4.09Å; I311-L315 PolarHBondContact O-N 3.05Å; I311-F837 HydrophobicContact CD1-CZ 3.86Å; I311-F837 HydrophobicContact CG1-CE1 4.08Å; I311-F837 HydrophobicContact CG1-CZ 3.71Å |
| 312 | Y | 89.1 | Confident | 85.5 | Confident | 19 Ų | 19 | 30 Ų | 30 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67 | -31.4 | 179.4 | -72.1 | -57 | 0 | 0 | 0 | 113 | Y23 H51 E54 I94 M308 K309 L315 N316 | Y23-Y312 HydrophobicContact CD2-CE1 4.06Å; Y23-Y312 HydrophobicContact CE2-CE1 4.05Å; Y23-Y312 HydrophobicContact CE2-CE2 4.11Å; Y23-Y312 AromaticContact CE2-CZ 3.75Å; H51-Y312 HydrophobicContact CB-CD1 4.42Å; E54-Y312 HydrophobicContact CB-CD1 3.99Å; E54-Y312 HydrophobicContact CB-CD2 4.09Å; E54-Y312 HydrophobicContact CB-CE1 4.04Å; E54-Y312 HydrophobicContact CB-CE2 4.1Å; E54-Y312 HydrophobicContact CB-CG 4.04Å; E54-Y312 VanDerWaalsContact CD-CE1 3.48Å; E54-Y312 HydrophobicContact CG-CE1 4.24Å; E54-Y312 WeakPolarHBondContact OE2-CD1 3.33Å; E54-Y312 WeakPolarHBondContact OE2-CE1 3.32Å; I94-Y312 HydrophobicContact CD1-CE2 4.17Å; I94-Y312 WeakPolarHBondContact CD1-OH 3.31Å; M308-Y312 HydrophobicContact CG-CD2 3.73Å; M308-Y312 HydrophobicContact CG-CE2 3.43Å; M308-Y312 VanDerWaalsContact CG-CE2 3.43Å; M308-Y312 VanDerWaalsContact O-CD2 3.27Å; M308-Y312 WeakPolarHBondContact O-CD2 3.35Å; M308-Y312 PolarHBondContact O-N 3.44Å; M308-Y312 HydrophobicContact SD-CE2 4.14Å; K309-Y312 PolarHBondContact O-N 2.9Å; Y312-L315 HydrophobicContact CD1-CD1 3.85Å; Y312-L315 HydrophobicContact CE1-CD1 4.24Å; Y312-L315 PolarHBondContact O-N 3.37Å; Y312-N316 PolarHBondContact O-N 3.39Å; Y312-N316 VanDerWaalsContact O-N 3.1Å |
| 313 | Y | 89.2 | Confident | 84.9 | Confident | 136 Ų | 136 | 35 Ų | 35 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 171.6 | -175.1 | -95.7 | 0 | 0 | 0 | 111.6 | K309 A310 I311 N316 L317 | K309-Y313 WeakPolarHBondContact O-CB 3.43Å; K309-Y313 PolarHBondContact O-N 2.99Å; A310-Y313 PolarHBondContact O-N 3.35Å; I311-Y313 VanDerWaalsContact C-N 3.29Å; I311-Y313 PolarHBondContact O-N 3.21Å; Y313-N316 WeakPolarHBondContact O-CB 3.47Å; Y313-N316 PolarHBondContact O-N 3.14Å; Y313-L317 HydrophobicContact CD1-CD1 4.44Å; Y313-L317 HydrophobicContact CE1-CD1 4.18Å; Y313-L317 PolarHBondContact O-N 3.33Å |
| 314 | I | 89.6 | Confident | 84 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.5 | -65.7 | -54 | 0 | 0 | 0 | 112.1 | I26 F37 A310 I311 N316 L317 C318 F835 | I26-I314 HydrophobicContact CD1-CG2 4.2Å; I26-I314 HydrophobicContact CG2-CB 4.24Å; I26-I314 HydrophobicContact CG2-CG2 4.03Å; F37-I314 HydrophobicContact CB-CD1 4.25Å; F37-I314 HydrophobicContact CD1-CG2 3.67Å; F37-I314 HydrophobicContact CD2-CD1 3.83Å; F37-I314 HydrophobicContact CD2-CG1 4.26Å; F37-I314 HydrophobicContact CD2-CG2 3.64Å; F37-I314 HydrophobicContact CE1-CG2 3.59Å; F37-I314 HydrophobicContact CE2-CG1 4.46Å; F37-I314 HydrophobicContact CE2-CG2 3.56Å; F37-I314 HydrophobicContact CG-CD1 4.19Å; F37-I314 HydrophobicContact CG-CG2 3.7Å; F37-I314 HydrophobicContact CZ-CG2 3.53Å; A310-I314 WeakPolarHBondContact O-CG1 3.42Å; A310-I314 PolarHBondContact O-N 3.2Å; A310-I314 VanDerWaalsContact O-N 3.08Å; I311-I314 PolarHBondContact O-N 3.19Å; I314-N316 PolarHBondContact O-N 3.03Å; I314-L317 HydrophobicContact CD1-CD1 3.79Å; I314-L317 WeakPolarHBondContact O-CB 3.34Å; I314-L317 PolarHBondContact O-N 3.16Å; I314-C318 PolarHBondContact O-N 2.92Å; I314-C318 PolarHBondContact O-SG 3.37Å; I314-C318 VanDerWaalsContact O-SG 3.34Å; I314-F835 HydrophobicContact CD1-CD2 3.7Å; I314-F835 HydrophobicContact CD1-CE2 4.01Å; I314-F835 HydrophobicContact CD1-CG 4.18Å; I314-F835 HydrophobicContact CG1-CD1 4.27Å; I314-F835 HydrophobicContact CG1-CD2 3.47Å; I314-F835 VanDerWaalsContact CG1-CD2 3.47Å; I314-F835 HydrophobicContact CG1-CE1 4.13Å; I314-F835 HydrophobicContact CG1-CE2 3.3Å; I314-F835 HydrophobicContact CG1-CG 3.96Å; I314-F835 HydrophobicContact CG1-CZ 3.66Å |
| 315 | L | 89 | Confident | 83.7 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -32.2 | 174.6 | -78.7 | 168.7 | 0 | 0 | 0 | 112.3 | A22 Y23 I26 I311 Y312 L317 C318 L327 | A22-L315 HydrophobicContact CB-CD2 4Å; Y23-L315 HydrophobicContact CD2-CD1 4.4Å; I26-L315 HydrophobicContact CD1-CD2 3.29Å; I26-L315 HydrophobicContact CD1-CG 3.55Å; I311-L315 HydrophobicContact CG2-CD1 4.09Å; I311-L315 PolarHBondContact O-N 3.05Å; Y312-L315 HydrophobicContact CD1-CD1 3.85Å; Y312-L315 HydrophobicContact CE1-CD1 4.24Å; Y312-L315 PolarHBondContact O-N 3.37Å; L315-L317 VanDerWaalsContact C-N 3.32Å; L315-C318 WeakPolarHBondContact O-CB 3.5Å; L315-C318 PolarHBondContact O-N 3.08Å; L315-L327 HydrophobicContact CD2-CD1 3.95Å |
| 316 | N | 89.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 46 Ų | 46 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.3 | -18.9 | 175.8 | -90.3 | -20.3 | 0 | 0 | 0 | 114.4 | R49 H51 I55 Y312 Y313 I314 | R49-N316 HydrophobicContact CB-CB 4.45Å; H51-N316 WeakPolarHBondContact CA-OD1 3.3Å; H51-N316 VanDerWaalsContact CB-OD1 3.23Å; H51-N316 WeakPolarHBondContact CB-OD1 3.48Å; H51-N316 PolarHBondContact N-OD1 3.26Å; I55-N316 WeakPolarHBondContact CD1-ND2 3.33Å; Y312-N316 PolarHBondContact O-N 3.39Å; Y312-N316 VanDerWaalsContact O-N 3.1Å; Y313-N316 WeakPolarHBondContact O-CB 3.47Å; Y313-N316 PolarHBondContact O-N 3.14Å; I314-N316 PolarHBondContact O-N 3.03Å |
| 317 | L | 87.2 | Confident | 83.7 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -80.4 | -20.8 | 173.7 | -61.7 | 171.4 | 0 | 0 | 0 | 112.1 | F37 D39 L40 Y313 I314 L315 | F37-L317 HydrophobicContact CB-CD1 4.17Å; D39-L317 HydrophobicContact CB-CD2 3.82Å; L40-L317 PolarHBondContact N-O 2.93Å; Y313-L317 HydrophobicContact CD1-CD1 4.44Å; Y313-L317 HydrophobicContact CE1-CD1 4.18Å; Y313-L317 PolarHBondContact O-N 3.33Å; I314-L317 HydrophobicContact CD1-CD1 3.79Å; I314-L317 WeakPolarHBondContact O-CB 3.34Å; I314-L317 PolarHBondContact O-N 3.16Å; L315-L317 VanDerWaalsContact C-N 3.32Å |
| 318 | C | 88.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.054 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -74.2 | 146.8 | -179 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | N41 I314 L315 L327 I328 | N41-C318 PolarHBondContact ND2-O 2.88Å; I314-C318 PolarHBondContact O-N 2.92Å; I314-C318 PolarHBondContact O-SG 3.37Å; I314-C318 VanDerWaalsContact O-SG 3.34Å; L315-C318 WeakPolarHBondContact O-CB 3.5Å; L315-C318 PolarHBondContact O-N 3.08Å; C318-L327 HydrophobicContact CB-CD2 4.08Å; C318-I328 WeakPolarHBondContact CA-O 3.47Å; C318-I328 WeakPolarHBondContact CB-O 3.41Å |
| 319 | S | 85.8 | Confident | 84.1 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 147.3 | 170.7 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | L327 I328 | S319-L327 WeakPolarHBondContact O-CA 3.48Å; S319-I328 PolarHBondContact N-O 3.06Å; S319-I328 PolarHBondContact O-N 3.48Å |
| 320 | F | 80.6 | Confident | 84.2 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 40% | 0.395 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119 | -178.9 | -174.1 | -98.9 | 0 | 0 | 0 | 109.9 | K50 V322 L327 | K50-F320 VanDerWaalsContact NZ-CE2 3.26Å; F320-V322 HydrophobicContact CD1-CG2 4.06Å; F320-V322 HydrophobicContact CE1-CG2 4.2Å; F320-L327 HydrophobicContact CD2-CD2 4Å; F320-L327 HydrophobicContact CD2-CG 4.34Å |
| 321 | D | 78.3 | Confident | 84.4 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 113.4 | 171.6 | -176.7 | 7.8 | 0 | 0 | 0 | 109.6 | T323 N324 K325 C326 I328 | D321-T323 VanDerWaalsContact CG-OG1 3.22Å; D321-T323 PolarHBondContact O-N 3.04Å; D321-T323 PolarHBondContact OD1-N 3.47Å; D321-T323 PolarHBondContact OD1-OG1 3.27Å; D321-T323 PolarHBondContact OD2-OG1 3.01Å; D321-T323 VanDerWaalsContact OD2-OG1 3.05Å; D321-N324 PolarHBondContact OD2-ND2 3.18Å; D321-K325 PolarHBondContact O-N 3.44Å; D321-C326 PolarHBondContact N-O 3.3Å; D321-I328 HydrophobicContact CB-CD1 4.14Å |
| 322 | V | 70.7 | Confident | 84.5 | Confident | 117 Ų | 117 | 46.8 Ų | 46.8 | 71% | 0.709 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -30 | -178.8 | -177 | 0 | 0 | 0 | 0 | 111.2 | F320 | F320-V322 HydrophobicContact CD1-CG2 4.06Å; F320-V322 HydrophobicContact CE1-CG2 4.2Å |
| 323 | T | 70.2 | Confident | 84.6 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 68% | 0.675 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -45.5 | -173 | 64.1 | 0 | 0 | 0 | 0 | 112 | D321 | D321-T323 VanDerWaalsContact CG-OG1 3.22Å; D321-T323 PolarHBondContact O-N 3.04Å; D321-T323 PolarHBondContact OD1-N 3.47Å; D321-T323 PolarHBondContact OD1-OG1 3.27Å; D321-T323 PolarHBondContact OD2-OG1 3.01Å; D321-T323 VanDerWaalsContact OD2-OG1 3.05Å |
| 324 | N | 64.2 | Low | 84.7 | Confident | 110 Ų | 110 | 39.4 Ų | 39.4 | 59% | 0.588 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 1 | -173.6 | -65.5 | -50.8 | 0 | 0 | 0 | 114 | D321 C326 | D321-N324 PolarHBondContact OD2-ND2 3.18Å; N324-C326 HydrophobicContact CB-CB 4.2Å; N324-C326 PolarHBondContact O-N 3.38Å; N324-C326 VanDerWaalsContact O-N 3.12Å; N324-C326 PolarHBondContact O-SG 3.27Å |
| 325 | K | 77.4 | Confident | 84.6 | Confident | 150 Ų | 150 | 41 Ų | 41 | 65% | 0.652 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 36.2 | -170.8 | -60.4 | -179.5 | 179.1 | 176.5 | 0 | 111.9 | D321 | D321-K325 PolarHBondContact O-N 3.44Š|
| 326 | C | 83.6 | Confident | 84.5 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.2 | -178.8 | -70.5 | 0 | 0 | 0 | 0 | 110 | L17 D321 N324 | L17-C326 CarbonylContact O-C 3.57Å; L17-C326 WeakPolarHBondContact O-CA 3.34Å; D321-C326 PolarHBondContact N-O 3.3Å; N324-C326 HydrophobicContact CB-CB 4.2Å; N324-C326 PolarHBondContact O-N 3.38Å; N324-C326 VanDerWaalsContact O-N 3.12Å; N324-C326 PolarHBondContact O-SG 3.27Å |
| 327 | L | 87.4 | Confident | 84.4 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 131.9 | 169.8 | -73.5 | 152.8 | 0 | 0 | 0 | 107.9 | L17 A22 L315 C318 S319 F320 | L17-L327 HydrophobicContact CB-CB 4.16Å; L17-L327 PolarHBondContact N-O 3.39Å; L17-L327 PolarHBondContact O-N 2.92Å; A22-L327 HydrophobicContact CB-CD1 3.55Å; L315-L327 HydrophobicContact CD2-CD1 3.95Å; C318-L327 HydrophobicContact CB-CD2 4.08Å; S319-L327 WeakPolarHBondContact O-CA 3.48Å; F320-L327 HydrophobicContact CD2-CD2 4Å; F320-L327 HydrophobicContact CD2-CG 4.34Å |
| 328 | I | 90.1 | Very high | 84.5 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.5 | 175.9 | -58.5 | 175.3 | 0 | 0 | 0 | 107.1 | Q14 L15 F16 L40 C318 S319 D321 | Q14-I328 HydrophobicContact CG-CG2 3.72Å; L15-I328 WeakPolarHBondContact O-CA 3.49Å; F16-I328 HydrophobicContact CD1-CD1 4.48Å; F16-I328 HydrophobicContact CD1-CG1 3.97Å; F16-I328 HydrophobicContact CE1-CD1 3.94Å; F16-I328 HydrophobicContact CE1-CG1 3.88Å; L40-I328 VanDerWaalsContact CD1-O 3.3Å; L40-I328 WeakPolarHBondContact CD1-O 3.46Å; C318-I328 WeakPolarHBondContact CA-O 3.47Å; C318-I328 WeakPolarHBondContact CB-O 3.41Å; S319-I328 PolarHBondContact N-O 3.06Å; S319-I328 PolarHBondContact O-N 3.48Å; D321-I328 HydrophobicContact CB-CD1 4.14Å |
| 329 | A | 90.3 | Very high | 84.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q14 L15 F37 | Q14-A329 CarbonylContact C-O 3.59Å; Q14-A329 WeakPolarHBondContact CA-O 3.3Å; L15-A329 HydrophobicContact CB-CB 4.22Å; L15-A329 PolarHBondContact N-O 2.99Å; L15-A329 PolarHBondContact O-N 3.29Å; F37-A329 HydrophobicContact CD1-CB 4.12Å; F37-A329 HydrophobicContact CE1-CB 4.03Å |
| 330 | E | 91.1 | Very high | 84.8 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.6 | 168.2 | -79.1 | -178.6 | -170.2 | 0 | 0 | 109 | L12 R38 L40 | L12-E330 HydrophobicContact CD1-CB 4.34Å; L12-E330 HydrophobicContact CD2-CG 4.32Å; R38-E330 HydrophobicContact CB-CB 4.15Å; R38-E330 VanDerWaalsContact CD-OE2 3.32Å; R38-E330 WeakPolarHBondContact CD-OE2 3.3Å; R38-E330 IonicContact CZ-OE2 2.79Å; R38-E330 PolarHBondContact N-O 3.33Å; R38-E330 IonicContact NE-OE2 2.84Å; R38-E330 IonicContact NH1-OE2 3.41Å; R38-E330 PolarHBondContact NH1-OE2 3.35Å; L40-E330 HydrophobicContact CD1-CG 4.48Å; L40-E330 HydrophobicContact CD2-CB 4.02Å; L40-E330 HydrophobicContact CD2-CG 3.79Å; L40-E330 HydrophobicContact CG-CB 4.49Å |
| 331 | V | 91.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139 | -179.1 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | A13 L15 V35 E36 F37 | A13-V331 HydrophobicContact CB-CG2 3.99Å; A13-V331 PolarHBondContact N-O 3.26Å; A13-V331 WeakPolarHBondContact O-CG2 3.42Å; A13-V331 PolarHBondContact O-N 3.06Å; L15-V331 HydrophobicContact CD1-CB 4.49Å; L15-V331 HydrophobicContact CD1-CG1 3.69Å; L15-V331 HydrophobicContact CD1-CG2 3.93Å; L15-V331 HydrophobicContact CD2-CG2 4.24Å; L15-V331 HydrophobicContact CG-CG1 4.25Å; L15-V331 HydrophobicContact CG-CG2 3.89Å; V35-V331 HydrophobicContact CB-CB 4.13Å; V35-V331 HydrophobicContact CB-CG1 4.37Å; V35-V331 HydrophobicContact CB-CG2 4.46Å; V35-V331 HydrophobicContact CG1-CB 4.38Å; V35-V331 HydrophobicContact CG1-CG2 4.16Å; E36-V331 CarbonylContact O-C 3.51Å; E36-V331 VanDerWaalsContact O-CA 3.23Å; E36-V331 WeakPolarHBondContact O-CA 3.45Å; F37-V331 HydrophobicContact CD1-CG1 3.51Å; F37-V331 HydrophobicContact CE1-CG1 3.58Å; F37-V331 HydrophobicContact CG-CG1 4.02Å; F37-V331 HydrophobicContact CZ-CG1 4.15Å |
| 332 | W | 92.1 | Very high | 85.7 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.4 | 163.9 | -69.5 | 112.1 | 0 | 0 | 0 | 109.3 | M10 L12 E36 D367 P369 P370 F832 | M10-W332 HydrophobicContact CB-CE3 4.39Å; L12-W332 HydrophobicContact CB-CE3 4.1Å; L12-W332 HydrophobicContact CB-CH2 4.04Å; L12-W332 HydrophobicContact CB-CZ3 3.72Å; L12-W332 HydrophobicContact CD1-CD2 3.82Å; L12-W332 HydrophobicContact CD1-CE3 4.07Å; L12-W332 HydrophobicContact CD1-CG 4.35Å; L12-W332 HydrophobicContact CD1-CH2 4.24Å; L12-W332 HydrophobicContact CD1-CZ2 4.01Å; L12-W332 HydrophobicContact CD1-CZ3 4.25Å; E36-W332 HydrophobicContact CB-CB 4.34Å; E36-W332 PolarHBondContact N-O 2.77Å; E36-W332 VanDerWaalsContact N-O 3.12Å; E36-W332 PolarHBondContact O-N 2.9Å; W332-D367 HydrophobicContact CZ2-CB 4.47Å; W332-P369 HydrophobicContact CD2-CB 4.39Å; W332-P369 HydrophobicContact CE3-CB 3.84Å; W332-P369 HydrophobicContact CH2-CB 3.76Å; W332-P369 HydrophobicContact CZ2-CB 4.3Å; W332-P369 HydrophobicContact CZ3-CB 3.52Å; W332-P370 HydrophobicContact CB-CG 3.88Å; W332-P370 HydrophobicContact CD2-CG 4.27Å; W332-P370 HydrophobicContact CG-CG 3.74Å; W332-F832 HydrophobicContact CB-CE2 4.16Å |
| 333 | C | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.6 | 178 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | C11 V35 L341 | C11-C333 PolarHBondContact N-O 2.59Å; C11-C333 PolarHBondContact O-N 3.4Å; V35-C333 HydrophobicContact CG1-CB 4.21Å; C333-L341 HydrophobicContact CB-CD2 4.26Å |
| 334 | P | 90.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 136.9 | 170.2 | -21.8 | 32.9 | 0 | 0 | 0 | 111.3 | E9 M10 N336 D337 I338 L372 | E9-P334 WeakPolarHBondContact O-CA 3.34Å; M10-P334 HydrophobicContact CE-CG 4.21Å; M10-P334 HydrophobicContact SD-CB 4.22Å; M10-P334 HydrophobicContact SD-CG 3.87Å; P334-N336 PolarHBondContact O-N 3Å; P334-N336 VanDerWaalsContact O-N 3.09Å; P334-D337 HydrophobicContact CB-CB 4.46Å; P334-D337 PolarHBondContact O-N 3.46Å; P334-I338 PolarHBondContact O-N 2.87Å; P334-L372 HydrophobicContact CG-CD2 3.53Å |
| 335 | V | 87.9 | Confident | 88.4 | Confident | 44 Ų | 44 | 44.6 Ų | 44.6 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.7 | -179.4 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | E9 C11 D337 | E9-V335 HydrophobicContact CB-CB 4.43Å; E9-V335 HydrophobicContact CB-CG2 4.02Å; E9-V335 PolarHBondContact O-N 2.99Å; C11-V335 HydrophobicContact CB-CG2 3.95Å; V335-D337 VanDerWaalsContact C-N 3.29Å; V335-D337 PolarHBondContact O-N 2.85Å |
| 336 | N | 87.3 | Confident | 88.8 | Confident | 110 Ų | 110 | 40.9 Ų | 40.9 | 59% | 0.588 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -24.1 | 179.5 | -65.6 | -26.7 | 0 | 0 | 0 | 113.7 | P334 | P334-N336 PolarHBondContact O-N 3Å; P334-N336 VanDerWaalsContact O-N 3.09Å |
| 337 | D | 87.8 | Confident | 88.9 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -2.7 | -172.4 | -69.4 | -47.1 | 0 | 0 | 0 | 113.7 | L34 P334 V335 P339 K340 L341 R374 | L34-D337 HydrophobicContact CD1-CB 4.31Å; P334-D337 HydrophobicContact CB-CB 4.46Å; P334-D337 PolarHBondContact O-N 3.46Å; V335-D337 VanDerWaalsContact C-N 3.29Å; V335-D337 PolarHBondContact O-N 2.85Å; D337-P339 VanDerWaalsContact C-CD 3.43Å; D337-K340 WeakPolarHBondContact O-CA 3.34Å; D337-K340 WeakPolarHBondContact O-CB 3.33Å; D337-K340 PolarHBondContact O-N 3.16Å; D337-K340 WeakPolarHBondContact OD1-CD 3.45Å; D337-K340 WeakPolarHBondContact OD1-CE 3.42Å; D337-K340 IonicContact OD1-NZ 3.65Å; D337-K340 PolarHBondContact OD1-NZ 3.07Å; D337-L341 PolarHBondContact O-N 3.43Å; D337-R374 IonicContact OD1-NH2 2.77Å; D337-R374 IonicContact OD2-CZ 2.6Å; D337-R374 IonicContact OD2-NH1 2.82Å; D337-R374 IonicContact OD2-NH2 3.42Å; D337-R374 PolarHBondContact OD2-NH2 2.89Å |
| 338 | I | 88.3 | Confident | 88.7 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.205 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -47.5 | -45.6 | 170.1 | -62.7 | 175.5 | 0 | 0 | 0 | 113.8 | C11 P334 K340 L341 R342 | C11-I338 HydrophobicContact CB-CD1 4.26Å; P334-I338 PolarHBondContact O-N 2.87Å; I338-K340 VanDerWaalsContact C-N 3.26Å; I338-K340 PolarHBondContact O-N 3.45Å; I338-L341 WeakPolarHBondContact O-CB 3.1Å; I338-L341 PolarHBondContact O-N 3.13Å; I338-R342 PolarHBondContact O-N 3.34Å |
| 339 | P | 90.3 | Very high | 88.5 | Confident | 69 Ų | 69 | 41.6 Ų | 41.6 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.1 | -29.3 | 179.1 | 24.4 | -34.5 | 0 | 0 | 0 | 112.9 | D337 R343 | D337-P339 VanDerWaalsContact C-CD 3.43Å; P339-R343 WeakPolarHBondContact O-CG 3.28Å; P339-R343 PolarHBondContact O-N 3.22Å |
| 340 | K | 89.3 | Confident | 88.2 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.9 | -41 | 174.3 | -62.1 | 178 | -173.5 | 158.2 | 0 | 110.8 | L34 D337 I338 R342 R343 A344 | L34-K340 HydrophobicContact CD1-CB 4.17Å; L34-K340 HydrophobicContact CD1-CD 4.3Å; D337-K340 WeakPolarHBondContact O-CA 3.34Å; D337-K340 WeakPolarHBondContact O-CB 3.33Å; D337-K340 PolarHBondContact O-N 3.16Å; D337-K340 WeakPolarHBondContact OD1-CD 3.45Å; D337-K340 WeakPolarHBondContact OD1-CE 3.42Å; D337-K340 IonicContact OD1-NZ 3.65Å; D337-K340 PolarHBondContact OD1-NZ 3.07Å; I338-K340 VanDerWaalsContact C-N 3.26Å; I338-K340 PolarHBondContact O-N 3.45Å; K340-R342 VanDerWaalsContact C-N 3.33Å; K340-R342 PolarHBondContact O-N 3.05Å; K340-R343 PolarHBondContact O-N 3.42Å; K340-A344 PolarHBondContact O-N 2.96Å |
| 341 | L | 88.9 | Confident | 87.7 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.7 | -46.7 | 174.1 | 175.5 | 60.6 | 0 | 0 | 0 | 111.4 | L15 L29 V35 C333 D337 I338 R343 A344 L345 V360 | L15-L341 HydrophobicContact CD2-CD2 4.28Å; L29-L341 HydrophobicContact CD2-CD1 3.17Å; V35-L341 HydrophobicContact CG1-CD1 3.76Å; V35-L341 HydrophobicContact CG1-CD2 4.04Å; V35-L341 HydrophobicContact CG1-CG 4.49Å; C333-L341 HydrophobicContact CB-CD2 4.26Å; D337-L341 PolarHBondContact O-N 3.43Å; I338-L341 WeakPolarHBondContact O-CB 3.1Å; I338-L341 PolarHBondContact O-N 3.13Å; L341-R343 PolarHBondContact O-N 3.02Å; L341-A344 PolarHBondContact O-N 2.76Å; L341-L345 HydrophobicContact CD1-CD1 4.26Å; L341-L345 HydrophobicContact CG-CD1 4.29Å; L341-L345 WeakPolarHBondContact O-CG 3.44Å; L341-L345 PolarHBondContact O-N 3.32Å; L341-L345 VanDerWaalsContact O-N 3.13Å; L341-V360 HydrophobicContact CD2-CG1 4.25Å; L341-V360 HydrophobicContact CD2-CG2 4.21Å; L341-V360 HydrophobicContact CG-CG2 4.13Å |
| 342 | R | 88.9 | Confident | 86.9 | Confident | 132 Ų | 132 | 56.9 Ų | 56.9 | 50% | 0.498 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 176.5 | -178.5 | 176.1 | -75.9 | 167.4 | -4.8 | 112.2 | I338 K340 L345 E346 | I338-R342 PolarHBondContact O-N 3.34Å; K340-R342 VanDerWaalsContact C-N 3.33Å; K340-R342 PolarHBondContact O-N 3.05Å; R342-L345 PolarHBondContact O-N 3.06Å; R342-E346 WeakPolarHBondContact CG-OE1 3.44Å; R342-E346 WeakPolarHBondContact O-CG 3.47Å; R342-E346 PolarHBondContact O-N 3.17Å |
| 343 | R | 88.3 | Confident | 86.1 | Confident | 161 Ų | 161 | 58.5 Ų | 58.5 | 61% | 0.608 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 177.9 | -71 | 174.9 | -170 | 163.2 | 2.5 | 112.4 | P339 K340 L341 L345 E346 D347 | P339-R343 WeakPolarHBondContact O-CG 3.28Å; P339-R343 PolarHBondContact O-N 3.22Å; K340-R343 PolarHBondContact O-N 3.42Å; L341-R343 PolarHBondContact O-N 3.02Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 2.82Å; R343-E346 PolarHBondContact O-N 3.37Å; R343-D347 PolarHBondContact O-N 3.25Å |
| 344 | A | 86.7 | Confident | 85.2 | Confident | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E28 L29 K340 L341 D347 G348 | E28-A344 HydrophobicContact CB-CB 4.47Å; L29-A344 HydrophobicContact CD2-CB 4.38Å; K340-A344 PolarHBondContact O-N 2.96Å; L341-A344 PolarHBondContact O-N 2.76Å; A344-D347 PolarHBondContact O-N 3.29Å; A344-G348 PolarHBondContact O-N 3.28Å |
| 345 | L | 87.3 | Confident | 84.1 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 175.6 | -71.3 | 168 | 0 | 0 | 0 | 112.5 | L15 L17 C25 L29 L341 R342 R343 D347 G348 S349 S358 V360 | L15-L345 HydrophobicContact CD2-CD1 3.83Å; L17-L345 HydrophobicContact CD2-CD2 3.74Å; C25-L345 HydrophobicContact CB-CD2 4.05Å; L29-L345 HydrophobicContact CD1-CD2 4.16Å; L29-L345 HydrophobicContact CD2-CD2 4.48Å; L29-L345 HydrophobicContact CG-CD2 4.5Å; L341-L345 HydrophobicContact CD1-CD1 4.26Å; L341-L345 HydrophobicContact CG-CD1 4.29Å; L341-L345 WeakPolarHBondContact O-CG 3.44Å; L341-L345 PolarHBondContact O-N 3.32Å; L341-L345 VanDerWaalsContact O-N 3.13Å; R342-L345 PolarHBondContact O-N 3.06Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 2.82Å; L345-D347 VanDerWaalsContact C-N 3.34Å; L345-G348 PolarHBondContact O-N 3.26Å; L345-S349 WeakPolarHBondContact O-CB 3.32Å; L345-S349 PolarHBondContact O-N 3.47Å; L345-S358 PolarHBondContact O-OG 3.44Å; L345-V360 HydrophobicContact CD1-CG2 3.15Å |
| 346 | E | 85.7 | Confident | 83.4 | Confident | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.341 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 173.5 | -72.4 | 171.7 | -164.7 | 0 | 0 | 111.5 | R342 R343 S349 R350 | R342-E346 WeakPolarHBondContact CG-OE1 3.44Å; R342-E346 WeakPolarHBondContact O-CG 3.47Å; R342-E346 PolarHBondContact O-N 3.17Å; R343-E346 PolarHBondContact O-N 3.37Å; E346-S349 PolarHBondContact O-N 3.26Å; E346-R350 VanDerWaalsContact O-CG 3.28Å; E346-R350 WeakPolarHBondContact O-CG 3.48Å; E346-R350 PolarHBondContact O-N 3.29Å |
| 347 | D | 85.8 | Confident | 82.6 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 178.3 | -71.3 | -26.4 | 0 | 0 | 0 | 112.2 | R343 A344 L345 R350 K351 | R343-D347 PolarHBondContact O-N 3.25Å; A344-D347 PolarHBondContact O-N 3.29Å; L345-D347 VanDerWaalsContact C-N 3.34Å; D347-R350 PolarHBondContact O-N 3.29Å; D347-K351 WeakPolarHBondContact O-CG 3.37Å; D347-K351 PolarHBondContact O-N 2.9Å |
| 348 | G | 83.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A344 L345 K351 S352 | A344-G348 PolarHBondContact O-N 3.28Å; L345-G348 PolarHBondContact O-N 3.26Å; G348-K351 PolarHBondContact O-N 2.92Å; G348-S352 PolarHBondContact O-N 3.26Å |
| 349 | S | 85 | Confident | 81.9 | Confident | 7 Ų | 7 | 70 Ų | 70 | 5% | 0.049 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | L345 E346 S352 G353 A354 V356 | L345-S349 WeakPolarHBondContact O-CB 3.32Å; L345-S349 PolarHBondContact O-N 3.47Å; E346-S349 PolarHBondContact O-N 3.26Å; S349-S352 PolarHBondContact O-N 2.99Å; S349-G353 PolarHBondContact O-N 2.79Å; S349-A354 PolarHBondContact O-N 3.36Å; S349-V356 PolarHBondContact OG-O 3.21Å |
| 350 | R | 83.6 | Confident | 81.7 | Confident | 180 Ų | 180 | 67.6 Ų | 67.6 | 68% | 0.679 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 176 | -76 | 173 | -179.6 | -174.1 | 1.8 | 112.9 | E346 D347 S352 G353 | E346-R350 VanDerWaalsContact O-CG 3.28Å; E346-R350 WeakPolarHBondContact O-CG 3.48Å; E346-R350 PolarHBondContact O-N 3.29Å; D347-R350 PolarHBondContact O-N 3.29Å; R350-S352 VanDerWaalsContact C-N 3.26Å; R350-S352 PolarHBondContact O-N 2.95Å; R350-G353 PolarHBondContact O-N 2.89Å; R350-G353 VanDerWaalsContact O-N 3.14Å |
| 351 | K | 81.3 | Confident | 81.6 | Confident | 132 Ų | 132 | 67.5 Ų | 67.5 | 57% | 0.574 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.1 | -36.1 | 178 | -75.1 | 179.6 | -175.5 | -176.5 | 0 | 112.5 | E28 D347 G348 G353 | E28-K351 VanDerWaalsContact CD-NZ 3.34Å; E28-K351 IonicContact OE1-NZ 3.66Å; E28-K351 PolarHBondContact OE1-NZ 2.57Å; E28-K351 IonicContact OE2-NZ 3.49Å; D347-K351 WeakPolarHBondContact O-CG 3.37Å; D347-K351 PolarHBondContact O-N 2.9Å; G348-K351 PolarHBondContact O-N 2.92Å; K351-G353 VanDerWaalsContact C-N 3.31Å |
| 352 | S | 75.4 | Confident | 81.5 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -79.6 | -11.6 | 179.1 | -152 | 0 | 0 | 0 | 0 | 113.5 | G20 S21 D24 G348 S349 R350 A354 | G20-S352 PolarHBondContact O-OG 3.37Å; S21-S352 WeakPolarHBondContact CA-OG 3.35Å; D24-S352 WeakPolarHBondContact OD2-CB 3.21Å; D24-S352 PolarHBondContact OD2-OG 3.23Å; G348-S352 PolarHBondContact O-N 3.26Å; S349-S352 PolarHBondContact O-N 2.99Å; R350-S352 VanDerWaalsContact C-N 3.26Å; R350-S352 PolarHBondContact O-N 2.95Å; S352-A354 PolarHBondContact O-N 2.63Å |
| 353 | G | 75.1 | Confident | 81.5 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 63% | 0.629 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 22.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S349 R350 K351 | S349-G353 PolarHBondContact O-N 2.79Å; R350-G353 PolarHBondContact O-N 2.89Å; R350-G353 VanDerWaalsContact O-N 3.14Å; K351-G353 VanDerWaalsContact C-N 3.31Å |
| 354 | A | 72.7 | Confident | 81.2 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | trans | -71 | 136.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S349 S352 V356 | S349-A354 PolarHBondContact O-N 3.36Å; S352-A354 PolarHBondContact O-N 2.63Å; A354-V356 VanDerWaalsContact C-N 3.34Å | ||
| 355 | T | 67.9 | Low | 80.9 | Confident | 135 Ų | 135 | 71 Ų | 71 | 83% | 0.828 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.5 | -20.8 | 179.3 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 356 | V | 71.3 | Confident | 80.6 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 49% | 0.485 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -107 | 121.3 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | S349 A354 | S349-V356 PolarHBondContact OG-O 3.21Å; A354-V356 VanDerWaalsContact C-N 3.34Å |
| 357 | P | 71.7 | Confident | 80.4 | Confident | 78 Ų | 78 | 77.5 Ų | 77.5 | 51% | 0.506 | 43% | 0.428 | S | S | . | . | trans | -70.1 | 136.1 | 174.9 | 28.7 | -32.7 | 0 | 0 | 0 | 110.2 | ||||
| 358 | S | 78.8 | Confident | 80.2 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 6% | 0.056 | 45% | 0.445 | C | S | . | . | trans | -65.9 | 135.6 | 165.6 | 42.7 | 0 | 0 | 0 | 0 | 109.2 | F16 L345 | F16-S358 WeakPolarHBondContact O-CA 3.38Å; F16-S358 WeakPolarHBondContact O-CB 3.24Å; L345-S358 PolarHBondContact O-OG 3.44Å | ||
| 359 | F | 81.8 | Confident | 80.5 | Confident | 112 Ų | 112 | 80.9 Ų | 80.9 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 155.7 | -176.6 | 63.8 | -90.2 | 0 | 0 | 0 | 112.1 | F16 | F16-F359 HydrophobicContact CB-CD1 4.37Å; F16-F359 HydrophobicContact CB-CE1 4Å; F16-F359 HydrophobicContact CB-CE2 4.26Å; F16-F359 HydrophobicContact CB-CZ 3.93Å; F16-F359 AromaticContact CD2-CD2 3.94Å; F16-F359 HydrophobicContact CD2-CD2 3.94Å; F16-F359 AromaticContact CD2-CE2 3.35Å; F16-F359 HydrophobicContact CD2-CE2 3.35Å; F16-F359 AromaticContact CD2-CZ 3.71Å; F16-F359 HydrophobicContact CD2-CZ 3.71Å; F16-F359 AromaticContact CE2-CE2 3.89Å; F16-F359 HydrophobicContact CE2-CE2 3.89Å; F16-F359 HydrophobicContact CE2-CZ 4.38Å; F16-F359 HydrophobicContact CG-CE1 4.37Å; F16-F359 AromaticContact CG-CE2 3.94Å; F16-F359 HydrophobicContact CG-CE2 3.94Å; F16-F359 AromaticContact CG-CZ 3.8Å; F16-F359 HydrophobicContact CG-CZ 3.8Å; F16-F359 PolarHBondContact N-O 3.28Å; F16-F359 VanDerWaalsContact N-O 3.11Å |
| 360 | V | 86.7 | Confident | 80.7 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 10% | 0.103 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.7 | -178.7 | -177.7 | 0 | 0 | 0 | 0 | 109 | A13 Q14 L15 L341 L345 | A13-V360 HydrophobicContact CB-CG1 3.7Å; Q14-V360 WeakPolarHBondContact O-CA 3.42Å; L15-V360 HydrophobicContact CD2-CB 4.12Å; L15-V360 HydrophobicContact CD2-CG1 4.02Å; L15-V360 HydrophobicContact CD2-CG2 3.37Å; L341-V360 HydrophobicContact CD2-CG1 4.25Å; L341-V360 HydrophobicContact CD2-CG2 4.21Å; L341-V360 HydrophobicContact CG-CG2 4.13Å; L345-V360 HydrophobicContact CD1-CG2 3.15Å |
| 361 | N | 87.7 | Confident | 81 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.1 | 170 | -167.5 | 17.8 | 0 | 0 | 0 | 110.8 | A13 Q14 F16 | A13-N361 CarbonylContact C-O 3.47Å; A13-N361 VanDerWaalsContact CA-O 3.23Å; A13-N361 WeakPolarHBondContact CA-O 3.32Å; Q14-N361 PolarHBondContact N-O 3.44Å; Q14-N361 PolarHBondContact O-N 3.01Å; F16-N361 HydrophobicContact CE2-CB 4.48Å |
| 362 | R | 87 | Confident | 81.3 | Confident | 151 Ų | 151 | 68.1 Ų | 68.1 | 57% | 0.57 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.5 | 175.5 | 168.9 | 165 | -165.5 | -168.7 | 6.8 | 109.5 | C11 | C11-R362 WeakPolarHBondContact SG-CD 3.21Å; C11-R362 WeakPolarHBondContact SG-CG 3.47Å; C11-R362 PolarHBondContact SG-NE 3.14Å |
| 363 | I | 87.6 | Confident | 81.9 | Confident | 44 Ų | 44 | 67.5 Ų | 67.5 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.5 | 176.2 | -58.5 | 179.6 | 0 | 0 | 0 | 109.3 | L12 Q14 T365 | L12-I363 HydrophobicContact CD2-CB 4.48Å; L12-I363 PolarHBondContact O-N 3.28Å; Q14-I363 HydrophobicContact CB-CD1 3.66Å; Q14-I363 HydrophobicContact CB-CG1 4.17Å; Q14-I363 HydrophobicContact CG-CD1 4.19Å; I363-T365 HydrophobicContact CG2-CG2 4.01Å |
| 364 | P | 81.6 | Confident | 82.3 | Confident | 126 Ų | 126 | 69 Ų | 69 | 82% | 0.818 | 38% | 0.383 | S | S | * | . | trans | -74.8 | 122.6 | 166.5 | 30.3 | -30.9 | 0 | 0 | 0 | 109.8 | ||||
| 365 | T | 82.1 | Confident | 82.9 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | trans | -124.4 | 152.5 | 178.1 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | L12 I363 | L12-T365 HydrophobicContact CB-CG2 3.84Å; L12-T365 HydrophobicContact CD2-CG2 3.33Å; L12-T365 HydrophobicContact CG-CG2 4.18Å; I363-T365 HydrophobicContact CG2-CG2 4.01Å | ||
| 366 | T | 79.5 | Confident | 83.8 | Confident | 142 Ų | 142 | 69.9 Ų | 69.9 | 87% | 0.871 | 38% | 0.381 | S | S | * | . | trans | -92.3 | -14.5 | 170.9 | 46.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 367 | D | 81.4 | Confident | 84.4 | Confident | 69 Ų | 69 | 72.7 Ų | 72.7 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -62.5 | 143.8 | 179.3 | -64.1 | -6 | 0 | 0 | 0 | 111.4 | R38 W332 P369 | R38-D367 IonicContact CZ-OD2 3.51Å; R38-D367 IonicContact NH1-OD2 3.49Å; R38-D367 PolarHBondContact NH1-OD2 3.44Å; R38-D367 IonicContact NH2-OD2 3.33Å; R38-D367 PolarHBondContact NH2-OD2 3.44Å; W332-D367 HydrophobicContact CZ2-CB 4.47Å; D367-P369 VanDerWaalsContact O-CD 3.26Å; D367-P369 WeakPolarHBondContact O-CD 3.25Å |
| 368 | T | 83.1 | Confident | 85.2 | Confident | 122 Ų | 122 | 72.4 Ų | 72.4 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 116.2 | 178.7 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 369 | P | 88.3 | Confident | 85.6 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 155.8 | -179.8 | 28.2 | -33.6 | 0 | 0 | 0 | 112.2 | M10 W332 D367 Y394 | M10-P369 HydrophobicContact CB-CB 3.75Å; M10-P369 HydrophobicContact CB-CG 4.36Å; M10-P369 HydrophobicContact CG-CB 4.35Å; W332-P369 HydrophobicContact CD2-CB 4.39Å; W332-P369 HydrophobicContact CE3-CB 3.84Å; W332-P369 HydrophobicContact CH2-CB 3.76Å; W332-P369 HydrophobicContact CZ2-CB 4.3Å; W332-P369 HydrophobicContact CZ3-CB 3.52Å; D367-P369 VanDerWaalsContact O-CD 3.26Å; D367-P369 WeakPolarHBondContact O-CD 3.25Å; P369-Y394 HydrophobicContact CB-CD2 4.27Å; P369-Y394 HydrophobicContact CB-CE2 4.21Å; P369-Y394 HydrophobicContact CG-CD1 3.44Å; P369-Y394 VanDerWaalsContact CG-CD1 3.44Å; P369-Y394 HydrophobicContact CG-CD2 3.52Å; P369-Y394 HydrophobicContact CG-CE1 3.46Å; P369-Y394 VanDerWaalsContact CG-CE1 3.46Å; P369-Y394 HydrophobicContact CG-CE2 3.57Å; P369-Y394 HydrophobicContact CG-CG 3.47Å; P369-Y394 VanDerWaalsContact CG-CG 3.47Å |
| 370 | P | 90.1 | Very high | 85.9 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.032 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 154 | 174.4 | 29.6 | -35.9 | 0 | 0 | 0 | 111.7 | M10 W332 V830 F832 | M10-P370 WeakPolarHBondContact CG-O 3.42Å; W332-P370 HydrophobicContact CB-CG 3.88Å; W332-P370 HydrophobicContact CD2-CG 4.27Å; W332-P370 HydrophobicContact CG-CG 3.74Å; P370-V830 CarbonylContact C-O 3.5Å; P370-V830 WeakPolarHBondContact CA-O 3.43Å; P370-F832 HydrophobicContact CB-CB 4.04Å; P370-F832 HydrophobicContact CB-CD2 4.15Å; P370-F832 HydrophobicContact CG-CB 4.49Å; P370-F832 HydrophobicContact CG-CD2 3.7Å |
| 371 | T | 89 | Confident | 85.9 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 120.8 | -178.9 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | V391 G392 Y394 V830 F832 | T371-V391 WeakPolarHBondContact OG1-CG1 3.38Å; T371-G392 WeakPolarHBondContact CG2-O 3.37Å; T371-G392 PolarHBondContact OG1-O 3Å; T371-Y394 HydrophobicContact CG2-CD2 4.32Å; T371-V830 PolarHBondContact N-O 3.14Å; T371-V830 PolarHBondContact OG1-O 3.27Å; T371-F832 WeakPolarHBondContact O-CB 3.32Å; T371-F832 PolarHBondContact O-N 3.48Å; T371-F832 VanDerWaalsContact O-N 3.11Å |
| 372 | L | 88.9 | Confident | 86 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.183 | 35% | 0.346 | C | S | . | . | trans | -108.7 | 129.7 | 169.5 | 173.7 | 61.8 | 0 | 0 | 0 | 110.3 | G7 E8 M10 P334 F832 | G7-L372 WeakPolarHBondContact CA-O 3.38Å; E8-L372 PolarHBondContact N-O 2.72Å; M10-L372 HydrophobicContact CE-CB 3.2Å; M10-L372 HydrophobicContact CE-CD2 4.03Å; M10-L372 HydrophobicContact CE-CG 4.26Å; P334-L372 HydrophobicContact CG-CD2 3.53Å; L372-F832 HydrophobicContact CB-CB 3.97Å; L372-F832 HydrophobicContact CB-CD1 4.01Å; L372-F832 HydrophobicContact CB-CG 4.1Å; L372-F832 HydrophobicContact CD1-CD1 3.84Å; L372-F832 HydrophobicContact CD1-CE1 4.48Å; L372-F832 HydrophobicContact CD2-CD1 4.13Å; L372-F832 HydrophobicContact CD2-CE1 4.17Å; L372-F832 HydrophobicContact CG-CD1 4.2Å | ||
| 373 | I | 86.6 | Confident | 86.2 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 16% | 0.159 | 32% | 0.32 | C | S | . | . | trans | -121.2 | 119.3 | 170 | -61.8 | 161.1 | 0 | 0 | 0 | 107 | L4 T375 N398 | L4-I373 HydrophobicContact CD1-CG2 4.15Å; I373-T375 PolarHBondContact O-N 3.29Å; I373-N398 HydrophobicContact CD1-CB 4.42Å | ||
| 374 | R | 84.6 | Confident | 86.3 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 116.1 | 176.4 | -67.4 | -170.2 | -166 | -154.7 | -1.3 | 109.6 | E8 D337 | E8-R374 WeakPolarHBondContact OE1-CD 3.46Å; E8-R374 WeakPolarHBondContact OE1-CG 3.32Å; E8-R374 IonicContact OE1-CZ 3.56Å; E8-R374 IonicContact OE1-NE 3.47Å; E8-R374 PolarHBondContact OE1-NE 3.49Å; E8-R374 IonicContact OE1-NH2 2.8Å; E8-R374 IonicContact OE2-CZ 2.63Å; E8-R374 IonicContact OE2-NE 3.82Å; E8-R374 PolarHBondContact OE2-NE 3.4Å; E8-R374 IonicContact OE2-NH2 3.21Å; E8-R374 PolarHBondContact OE2-NH2 3.27Å; D337-R374 IonicContact OD1-NH2 2.77Å; D337-R374 IonicContact OD2-CZ 2.6Å; D337-R374 IonicContact OD2-NH1 2.82Å; D337-R374 IonicContact OD2-NH2 3.42Å; D337-R374 PolarHBondContact OD2-NH2 2.89Å |
| 375 | T | 84.9 | Confident | 86.7 | Confident | 63 Ų | 63 | 55 Ų | 55 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 140.9 | 177 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | I373 T379 Q383 | I373-T375 PolarHBondContact O-N 3.29Å; T375-T379 WeakPolarHBondContact CA-OG1 3.48Å; T375-Q383 HydrophobicContact CG2-CB 3.66Å; T375-Q383 HydrophobicContact CG2-CG 3.77Å |
| 376 | N | 86.9 | Confident | 87.1 | Confident | 121 Ų | 121 | 52.4 Ų | 52.4 | 65% | 0.647 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 168.4 | 164.8 | -68.7 | -18.2 | 0 | 0 | 0 | 109.1 | F378 T379 S380 | N376-F378 PolarHBondContact O-N 3.46Å; N376-T379 PolarHBondContact N-OG1 3.23Å; N376-T379 PolarHBondContact O-N 3.44Å; N376-T379 PolarHBondContact O-OG1 2.92Å; N376-S380 PolarHBondContact O-N 3.01Å |
| 377 | K | 84.8 | Confident | 87.6 | Confident | 140 Ų | 140 | 47 Ų | 47 | 61% | 0.609 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -32.6 | 175.1 | -61.4 | -173.8 | 176.7 | -168.8 | 0 | 113.9 | S380 E435 Y456 | K377-S380 PolarHBondContact O-OG 3.31Å; K377-E435 IonicContact NZ-OE1 2.9Å; K377-E435 PolarHBondContact NZ-OE1 2.91Å; K377-Y456 HydrophobicContact CB-CE2 4.36Å; K377-Y456 WeakPolarHBondContact O-CD2 3.45Å; K377-Y456 VanDerWaalsContact O-CE2 3.28Å; K377-Y456 WeakPolarHBondContact O-CE2 3.41Å |
| 378 | F | 87.4 | Confident | 88 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -41.7 | 178.1 | -180 | -101.4 | 0 | 0 | 0 | 112.9 | N376 F382 I404 Y456 M460 | N376-F378 PolarHBondContact O-N 3.46Å; F378-F382 HydrophobicContact CE1-CE2 4.37Å; F378-F382 HydrophobicContact CZ-CE2 4.16Å; F378-I404 HydrophobicContact CE1-CD1 4.5Å; F378-I404 HydrophobicContact CE1-CG2 3.65Å; F378-I404 HydrophobicContact CZ-CG2 4.04Å; F378-Y456 AromaticContact CD2-CD1 3.79Å; F378-Y456 HydrophobicContact CD2-CD1 3.79Å; F378-Y456 HydrophobicContact CD2-CD2 4.39Å; F378-Y456 AromaticContact CD2-CG 3.71Å; F378-Y456 HydrophobicContact CD2-CG 3.71Å; F378-Y456 HydrophobicContact CE2-CD1 4.35Å; F378-Y456 HydrophobicContact CE2-CG 4.33Å; F378-M460 HydrophobicContact CE2-CG 4.29Å; F378-M460 HydrophobicContact CZ-CG 4.17Å; F378-M460 HydrophobicContact CZ-SD 4.34Å |
| 379 | T | 87.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -88 | -15.5 | -173.2 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | L4 T375 N376 G381 F382 Q383 I404 | L4-T379 HydrophobicContact CD1-CG2 4.32Å; L4-T379 HydrophobicContact CD2-CG2 4.21Å; T375-T379 WeakPolarHBondContact CA-OG1 3.48Å; N376-T379 PolarHBondContact N-OG1 3.23Å; N376-T379 PolarHBondContact O-N 3.44Å; N376-T379 PolarHBondContact O-OG1 2.92Å; T379-G381 PolarHBondContact O-N 2.9Å; T379-F382 PolarHBondContact O-N 3.23Å; T379-Q383 WeakPolarHBondContact O-CB 3.28Å; T379-Q383 PolarHBondContact O-N 3.46Å; T379-I404 HydrophobicContact CG2-CD1 3.86Å |
| 380 | S | 87.3 | Confident | 88.4 | Confident | 37 Ų | 37 | 46 Ų | 46 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -43.7 | -177.7 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | N376 K377 F382 Q383 N384 | N376-S380 PolarHBondContact O-N 3.01Å; K377-S380 PolarHBondContact O-OG 3.31Å; S380-F382 PolarHBondContact O-N 2.84Å; S380-Q383 PolarHBondContact O-N 3.23Å; S380-N384 VanDerWaalsContact O-CG 3.26Å; S380-N384 PolarHBondContact O-N 2.71Å; S380-N384 PolarHBondContact O-OD1 2.86Å |
| 381 | G | 87.7 | Confident | 88.3 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 9% | 0.093 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | T379 N384 I385 | T379-G381 PolarHBondContact O-N 2.9Å; G381-N384 PolarHBondContact O-N 3.08Å; G381-I385 PolarHBondContact O-N 3.01Å |
| 382 | F | 90.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 177.1 | -67.6 | -80 | 0 | 0 | 0 | 112.4 | F378 T379 S380 I385 V386 I404 F407 P408 I457 M460 | F378-F382 HydrophobicContact CE1-CE2 4.37Å; F378-F382 HydrophobicContact CZ-CE2 4.16Å; T379-F382 PolarHBondContact O-N 3.23Å; S380-F382 PolarHBondContact O-N 2.84Å; F382-I385 PolarHBondContact O-N 3.06Å; F382-V386 WeakPolarHBondContact O-CG2 3.41Å; F382-V386 PolarHBondContact O-N 2.87Å; F382-I404 HydrophobicContact CB-CG1 4.04Å; F382-I404 HydrophobicContact CD1-CG1 4.3Å; F382-I404 HydrophobicContact CD2-CG1 3.74Å; F382-I404 HydrophobicContact CE2-CG1 4.21Å; F382-I404 HydrophobicContact CE2-CG2 4.46Å; F382-I404 HydrophobicContact CG-CG1 3.77Å; F382-F407 HydrophobicContact CE1-CD1 4.45Å; F382-P408 HydrophobicContact CE1-CG 4.12Å; F382-P408 HydrophobicContact CZ-CG 4.27Å; F382-I457 HydrophobicContact CD1-CD1 4.4Å; F382-I457 HydrophobicContact CD1-CG1 4.14Å; F382-I457 HydrophobicContact CD2-CG1 4.19Å; F382-I457 HydrophobicContact CE1-CB 4.31Å; F382-I457 HydrophobicContact CE1-CG1 3.87Å; F382-I457 HydrophobicContact CE1-CG2 4.01Å; F382-I457 HydrophobicContact CE2-CG1 3.92Å; F382-I457 HydrophobicContact CG-CG1 4.31Å; F382-I457 HydrophobicContact CZ-CB 4.17Å; F382-I457 HydrophobicContact CZ-CG1 3.76Å; F382-I457 HydrophobicContact CZ-CG2 4.27Å; F382-M460 HydrophobicContact CZ-CG 4.48Å |
| 383 | Q | 91.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.2 | -171.1 | 64.1 | 46 | 0 | 0 | 111.2 | T375 T379 S380 I385 V386 D387 N398 | T375-Q383 HydrophobicContact CG2-CB 3.66Å; T375-Q383 HydrophobicContact CG2-CG 3.77Å; T379-Q383 WeakPolarHBondContact O-CB 3.28Å; T379-Q383 PolarHBondContact O-N 3.46Å; S380-Q383 PolarHBondContact O-N 3.23Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 3.44Å; Q383-V386 PolarHBondContact O-N 3.13Å; Q383-D387 PolarHBondContact NE2-OD1 3.34Å; Q383-D387 WeakPolarHBondContact O-CB 3.41Å; Q383-D387 VanDerWaalsContact O-CG 3.32Å; Q383-D387 PolarHBondContact O-N 2.85Å; Q383-N398 PolarHBondContact OE1-ND2 3.4Å |
| 384 | N | 89.3 | Confident | 88.1 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 40% | 0.401 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -37.2 | 177.2 | -72.2 | -7.1 | 0 | 0 | 0 | 112 | S380 G381 V386 A388 | S380-N384 VanDerWaalsContact O-CG 3.26Å; S380-N384 PolarHBondContact O-N 2.71Å; S380-N384 PolarHBondContact O-OD1 2.86Å; G381-N384 PolarHBondContact O-N 3.08Å; N384-V386 VanDerWaalsContact C-N 3.35Å; N384-A388 WeakPolarHBondContact O-CB 3.15Å; N384-A388 PolarHBondContact O-N 3.29Å |
| 385 | I | 90.8 | Very high | 88.3 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.1 | -36.8 | 174.8 | -68.4 | 176.7 | 0 | 0 | 0 | 112 | G381 F382 Q383 I457 F809 L813 W817 | G381-I385 PolarHBondContact O-N 3.01Å; F382-I385 PolarHBondContact O-N 3.06Å; Q383-I385 VanDerWaalsContact C-N 3.27Å; Q383-I385 PolarHBondContact O-N 3.44Å; I385-I457 HydrophobicContact CD1-CD1 3.46Å; I385-I457 VanDerWaalsContact CD1-CD1 3.46Å; I385-I457 HydrophobicContact CG1-CD1 4.44Å; I385-F809 HydrophobicContact CD1-CZ 4.1Å; I385-L813 HydrophobicContact CG2-CD1 3.81Å; I385-L813 HydrophobicContact CG2-CG 4.37Å; I385-W817 HydrophobicContact CG2-CZ2 4.48Å; I385-W817 WeakPolarHBondContact O-CZ2 3.35Å; I385-W817 PolarHBondContact O-NE1 2.74Å |
| 386 | V | 90.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.9 | -47.1 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | F382 Q383 N384 A388 Y389 P399 A400 T403 | F382-V386 WeakPolarHBondContact O-CG2 3.41Å; F382-V386 PolarHBondContact O-N 2.87Å; Q383-V386 PolarHBondContact O-N 3.13Å; N384-V386 VanDerWaalsContact C-N 3.35Å; V386-A388 PolarHBondContact O-N 3Å; V386-Y389 PolarHBondContact O-N 3.39Å; V386-Y389 VanDerWaalsContact O-N 3.15Å; V386-P399 HydrophobicContact CG1-CB 4.2Å; V386-P399 HydrophobicContact CG1-CG 3.98Å; V386-P399 HydrophobicContact CG2-CB 4.4Å; V386-A400 HydrophobicContact CG2-CB 4.26Å; V386-T403 HydrophobicContact CG2-CG2 4.24Å |
| 387 | D | 89.6 | Confident | 88.5 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 16% | 0.16 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.5 | -30.8 | 178.4 | -71.2 | 0.1 | 0 | 0 | 0 | 112.3 | Q383 Y389 G390 K831 | Q383-D387 PolarHBondContact NE2-OD1 3.34Å; Q383-D387 WeakPolarHBondContact O-CB 3.41Å; Q383-D387 VanDerWaalsContact O-CG 3.32Å; Q383-D387 PolarHBondContact O-N 2.85Å; D387-Y389 VanDerWaalsContact C-N 3.26Å; D387-Y389 PolarHBondContact O-N 3.46Å; D387-G390 CarbonylContact O-C 3.55Å; D387-G390 PolarHBondContact O-N 3.06Å; D387-K831 IonicContact OD2-NZ 2.77Å; D387-K831 PolarHBondContact OD2-NZ 3.46Å |
| 388 | A | 89.7 | Confident | 88.7 | Confident | 73 Ų | 73 | 31.8 Ų | 31.8 | 60% | 0.603 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N384 V386 W817 | N384-A388 WeakPolarHBondContact O-CB 3.15Å; N384-A388 PolarHBondContact O-N 3.29Å; V386-A388 PolarHBondContact O-N 3Å; A388-W817 HydrophobicContact CB-CZ2 4.2Å |
| 389 | Y | 90.1 | Very high | 88.8 | Confident | 99 Ų | 99 | 28.3 Ų | 28.3 | 39% | 0.388 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -40.3 | 172.2 | -179.1 | -112.7 | 0 | 0 | 0 | 111.6 | V386 D387 W817 Q821 Y825 | V386-Y389 PolarHBondContact O-N 3.39Å; V386-Y389 VanDerWaalsContact O-N 3.15Å; D387-Y389 VanDerWaalsContact C-N 3.26Å; D387-Y389 PolarHBondContact O-N 3.46Å; Y389-W817 HydrophobicContact CD2-CB 3.7Å; Y389-W817 AromaticContact CD2-CD2 3.86Å; Y389-W817 HydrophobicContact CD2-CD2 3.86Å; Y389-W817 HydrophobicContact CD2-CE3 4.06Å; Y389-W817 AromaticContact CD2-CG 3.74Å; Y389-W817 HydrophobicContact CD2-CG 3.74Å; Y389-W817 HydrophobicContact CE2-CB 3.94Å; Y389-W817 HydrophobicContact CE2-CG 4.47Å; Y389-W817 HydrophobicContact CG-CB 4.13Å; Y389-W817 HydrophobicContact CG-CD2 4.2Å; Y389-W817 AromaticContact CG-CG 3.91Å; Y389-W817 HydrophobicContact CG-CG 3.91Å; Y389-Q821 HydrophobicContact CE1-CB 4.46Å; Y389-Y825 HydrophobicContact CD1-CD1 4.34Å; Y389-Y825 HydrophobicContact CD1-CE1 4.33Å |
| 390 | G | 88.8 | Confident | 88.8 | Confident | 17 Ų | 17 | 27.8 Ų | 27.8 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | trans | 168.6 | 155.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | D387 Y825 | D387-G390 CarbonylContact O-C 3.55Å; D387-G390 PolarHBondContact O-N 3.06Å; G390-Y825 WeakPolarHBondContact O-CE1 3.38Å; G390-Y825 PolarHBondContact O-OH 3.27Å | ||
| 391 | V | 88.7 | Confident | 89 | Confident | 25 Ų | 25 | 27.5 Ų | 27.5 | 15% | 0.152 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -89.7 | 135.3 | -178.3 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | T371 Y825 G827 T828 G829 K831 | T371-V391 WeakPolarHBondContact OG1-CG1 3.38Å; V391-Y825 VanDerWaalsContact C-OH 3.28Å; V391-G827 CarbonylContact O-C 3.53Å; V391-G827 VanDerWaalsContact O-CA 3.26Å; V391-G827 WeakPolarHBondContact O-CA 3.28Å; V391-T828 PolarHBondContact O-N 3.4Å; V391-G829 WeakPolarHBondContact O-CA 3.38Å; V391-G829 PolarHBondContact O-N 2.92Å; V391-K831 HydrophobicContact CG1-CB 4.13Å; V391-K831 HydrophobicContact CG2-CB 3.86Å |
| 392 | G | 85.9 | Confident | 89.1 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 148.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T371 Y825 G829 | T371-G392 WeakPolarHBondContact CG2-O 3.37Å; T371-G392 PolarHBondContact OG1-O 3Å; G392-Y825 VanDerWaalsContact CA-CE2 3.4Å; G392-Y825 VanDerWaalsContact CA-OH 3.26Å; G392-Y825 WeakPolarHBondContact CA-OH 3.49Å; G392-Y825 PolarHBondContact N-OH 3.38Å; G392-G829 WeakPolarHBondContact O-CA 3.17Å |
| 393 | S | 87.3 | Confident | 89.2 | Confident | 29 Ų | 29 | 29.6 Ų | 29.6 | 20% | 0.203 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 161.5 | 174.5 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | R395 E396 S826 | S393-R395 PolarHBondContact O-N 3Å; S393-E396 WeakPolarHBondContact CB-OE2 3.48Å; S393-E396 PolarHBondContact N-OE2 3.43Å; S393-E396 WeakPolarHBondContact O-CB 3.11Å; S393-E396 PolarHBondContact O-N 3.17Å; S393-E396 WeakPolarHBondContact OG-CB 3.42Å; S393-E396 PolarHBondContact OG-OE2 2.78Å; S393-S826 PolarHBondContact OG-OG 3.02Å |
| 394 | Y | 88.2 | Confident | 89.2 | Confident | 55 Ų | 55 | 30.3 Ų | 30.3 | 22% | 0.216 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 122.1 | -172.4 | -176.9 | -114.8 | 0 | 0 | 0 | 113.6 | E8 E9 M10 P369 T371 E396 F571 | E8-Y394 VanDerWaalsContact O-CE2 3.27Å; E8-Y394 WeakPolarHBondContact O-CE2 3.35Å; E8-Y394 PolarHBondContact O-OH 3.07Å; E9-Y394 VanDerWaalsContact CA-OH 3.25Å; E9-Y394 WeakPolarHBondContact CA-OH 3.41Å; M10-Y394 HydrophobicContact CB-CE2 4.02Å; M10-Y394 HydrophobicContact CG-CE2 3.96Å; M10-Y394 PolarHBondContact N-OH 3.34Å; P369-Y394 HydrophobicContact CB-CD2 4.27Å; P369-Y394 HydrophobicContact CB-CE2 4.21Å; P369-Y394 HydrophobicContact CG-CD1 3.44Å; P369-Y394 VanDerWaalsContact CG-CD1 3.44Å; P369-Y394 HydrophobicContact CG-CD2 3.52Å; P369-Y394 HydrophobicContact CG-CE1 3.46Å; P369-Y394 VanDerWaalsContact CG-CE1 3.46Å; P369-Y394 HydrophobicContact CG-CE2 3.57Å; P369-Y394 HydrophobicContact CG-CG 3.47Å; P369-Y394 VanDerWaalsContact CG-CG 3.47Å; T371-Y394 HydrophobicContact CG2-CD2 4.32Å; Y394-E396 PolarHBondContact O-N 2.98Å; Y394-F571 WeakPolarHBondContact O-CZ 3.29Å |
| 395 | R | 86.8 | Confident | 89.4 | Confident | 58 Ų | 58 | 31.6 Ų | 31.6 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 25.8 | -174 | -47.9 | -173.1 | -17.4 | 165 | -2.1 | 115.3 | E9 S393 Y570 | E9-R395 IonicContact OE1-NH1 3.29Å; E9-R395 PolarHBondContact OE1-NH1 3.09Å; S393-R395 PolarHBondContact O-N 3Å; R395-Y570 HydrophobicContact CB-CE1 3.66Å; R395-Y570 PolarHBondContact NE-OH 3.45Å; R395-Y570 PolarHBondContact NH1-OH 3.15Å; R395-Y570 PolarHBondContact NH2-OH 3.1Å; R395-Y570 VanDerWaalsContact NH2-OH 3.11Å; R395-Y570 WeakPolarHBondContact O-CE1 3.44Å |
| 396 | E | 88.1 | Confident | 89.5 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.065 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 157.6 | 166.1 | -164 | 169.2 | -157.3 | 0 | 0 | 111.2 | R6 S393 Y394 N398 F824 Y825 S826 | R6-E396 WeakPolarHBondContact CA-O 3.37Å; S393-E396 WeakPolarHBondContact CB-OE2 3.48Å; S393-E396 PolarHBondContact N-OE2 3.43Å; S393-E396 WeakPolarHBondContact O-CB 3.11Å; S393-E396 PolarHBondContact O-N 3.17Å; S393-E396 WeakPolarHBondContact OG-CB 3.42Å; S393-E396 PolarHBondContact OG-OE2 2.78Å; Y394-E396 PolarHBondContact O-N 2.98Å; E396-N398 PolarHBondContact O-N 3.44Å; E396-F824 VanDerWaalsContact OE1-O 3.11Å; E396-Y825 WeakPolarHBondContact OE1-CA 3.47Å; E396-S826 VanDerWaalsContact CD-OG 3.31Å; E396-S826 PolarHBondContact OE1-N 3.23Å; E396-S826 PolarHBondContact OE1-OG 2.95Å; E396-S826 PolarHBondContact OE2-OG 3.06Å |
| 397 | V | 88.9 | Confident | 89.7 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 122.5 | 171.7 | 171.1 | 0 | 0 | 0 | 0 | 109.7 | L5 R6 F402 N567 | L5-V397 WeakPolarHBondContact O-CA 3.28Å; R6-V397 HydrophobicContact CG-CG2 4.48Å; V397-F402 HydrophobicContact CG1-CE2 4.15Å; V397-N567 WeakPolarHBondContact CB-OD1 3.43Å; V397-N567 WeakPolarHBondContact CG2-OD1 3.31Å; V397-N567 PolarHBondContact N-OD1 3.34Å |
| 398 | N | 89.4 | Confident | 89.9 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 129.7 | 176.2 | -174.7 | 5.9 | 0 | 0 | 0 | 110.3 | L4 L5 I373 Q383 E396 A400 P401 | L4-N398 VanDerWaalsContact O-CB 3.3Å; L4-N398 WeakPolarHBondContact O-CB 3.4Å; L4-N398 PolarHBondContact O-ND2 2.97Å; L4-N398 VanDerWaalsContact O-ND2 3.07Å; L5-N398 PolarHBondContact O-N 3.12Å; I373-N398 HydrophobicContact CD1-CB 4.42Å; Q383-N398 PolarHBondContact OE1-ND2 3.4Å; E396-N398 PolarHBondContact O-N 3.44Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 WeakPolarHBondContact ND2-CB 3.38Å; N398-A400 PolarHBondContact O-N 3.47Å; N398-A400 WeakPolarHBondContact OD1-CB 3.47Å; N398-A400 PolarHBondContact OD1-N 2.99Å; N398-P401 VanDerWaalsContact O-CD 3.27Å; N398-P401 WeakPolarHBondContact O-CD 3.49Å |
| 399 | P | 88.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -65.8 | -26.2 | 170.4 | -20.8 | 31.6 | 0 | 0 | 0 | 114 | V386 P401 F402 T403 Q821 F824 Y825 | V386-P399 HydrophobicContact CG1-CB 4.2Å; V386-P399 HydrophobicContact CG1-CG 3.98Å; V386-P399 HydrophobicContact CG2-CB 4.4Å; P399-P401 VanDerWaalsContact C-CD 3.44Å; P399-F402 PolarHBondContact O-N 2.88Å; P399-T403 HydrophobicContact CB-CG2 4.29Å; P399-T403 PolarHBondContact O-N 3.03Å; P399-T403 VanDerWaalsContact O-N 3.08Å; P399-Q821 HydrophobicContact CB-CG 4.27Å; P399-Q821 HydrophobicContact CG-CG 4.1Å; P399-F824 HydrophobicContact CB-CE2 4.38Å; P399-F824 HydrophobicContact CB-CZ 4.04Å; P399-F824 HydrophobicContact CG-CE2 3.86Å; P399-F824 HydrophobicContact CG-CZ 3.92Å; P399-Y825 HydrophobicContact CG-CD2 3.63Å; P399-Y825 HydrophobicContact CG-CE2 3.92Å; P399-Y825 HydrophobicContact CG-CG 3.99Å |
| 400 | A | 88.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.2 | -41.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V386 N398 F402 T403 I404 | V386-A400 HydrophobicContact CG2-CB 4.26Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 WeakPolarHBondContact ND2-CB 3.38Å; N398-A400 PolarHBondContact O-N 3.47Å; N398-A400 WeakPolarHBondContact OD1-CB 3.47Å; N398-A400 PolarHBondContact OD1-N 2.99Å; A400-F402 PolarHBondContact O-N 2.92Å; A400-T403 VanDerWaalsContact CA-OG1 3.27Å; A400-T403 WeakPolarHBondContact CA-OG1 3.01Å; A400-T403 PolarHBondContact O-N 3.31Å; A400-T403 PolarHBondContact O-OG1 3.48Å; A400-I404 VanDerWaalsContact O-CG1 3.26Å; A400-I404 WeakPolarHBondContact O-CG1 3.29Å; A400-I404 PolarHBondContact O-N 3.24Å; A400-I404 VanDerWaalsContact O-N 3.08Å |
| 401 | P | 90.1 | Very high | 90.7 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 20% | 0.201 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -36 | 176.6 | -24 | 33.6 | 0 | 0 | 0 | 113.4 | L4 N398 P399 | L4-P401 HydrophobicContact CD2-CB 4.34Å; L4-P401 HydrophobicContact CD2-CG 3.94Å; L4-P401 HydrophobicContact CG-CG 4Å; N398-P401 VanDerWaalsContact O-CD 3.27Å; N398-P401 WeakPolarHBondContact O-CD 3.49Å; P399-P401 VanDerWaalsContact C-CD 3.44Å |
| 402 | F | 90.8 | Very high | 91 | Very high | 48 Ų | 48 | 23 Ų | 23 | 21% | 0.211 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -80.3 | -43 | -179.4 | -52.7 | -63 | 0 | 0 | 0 | 110.7 | V397 P399 A400 I404 I405 T406 F559 L563 F820 | V397-F402 HydrophobicContact CG1-CE2 4.15Å; P399-F402 PolarHBondContact O-N 2.88Å; A400-F402 PolarHBondContact O-N 2.92Å; F402-I404 PolarHBondContact O-N 3.2Å; F402-I405 PolarHBondContact O-N 2.75Å; F402-I405 VanDerWaalsContact O-N 3.1Å; F402-T406 PolarHBondContact O-N 2.87Å; F402-T406 PolarHBondContact O-OG1 3.41Å; F402-F559 HydrophobicContact CB-CE1 4.21Å; F402-F559 AromaticContact CD1-CE1 3.73Å; F402-F559 HydrophobicContact CD1-CE1 3.73Å; F402-F559 AromaticContact CD1-CZ 3.52Å; F402-F559 HydrophobicContact CD1-CZ 3.52Å; F402-F559 HydrophobicContact CE1-CE1 4.26Å; F402-F559 AromaticContact CE1-CZ 3.61Å; F402-F559 HydrophobicContact CE1-CZ 3.61Å; F402-F559 AromaticContact CG-CE1 3.9Å; F402-F559 HydrophobicContact CG-CE1 3.9Å; F402-F559 HydrophobicContact CG-CZ 4.1Å; F402-F559 HydrophobicContact CZ-CZ 4.24Å; F402-L563 HydrophobicContact CD2-CD1 3.7Å; F402-L563 HydrophobicContact CD2-CD2 4.41Å; F402-L563 HydrophobicContact CE1-CD2 4.37Å; F402-L563 HydrophobicContact CE2-CD1 3.64Å; F402-L563 HydrophobicContact CE2-CD2 3.55Å; F402-L563 HydrophobicContact CE2-CG 4.27Å; F402-L563 HydrophobicContact CG-CD1 4.37Å; F402-L563 HydrophobicContact CZ-CD1 4.28Å; F402-L563 HydrophobicContact CZ-CD2 3.52Å; F402-F820 HydrophobicContact CB-CE1 4.46Å; F402-F820 HydrophobicContact CB-CZ 4.29Å |
| 403 | T | 91.2 | Very high | 91.4 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 5% | 0.049 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -30.1 | 178.9 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | V386 P399 A400 I405 T406 F407 P408 | V386-T403 HydrophobicContact CG2-CG2 4.24Å; P399-T403 HydrophobicContact CB-CG2 4.29Å; P399-T403 PolarHBondContact O-N 3.03Å; P399-T403 VanDerWaalsContact O-N 3.08Å; A400-T403 VanDerWaalsContact CA-OG1 3.27Å; A400-T403 WeakPolarHBondContact CA-OG1 3.01Å; A400-T403 PolarHBondContact O-N 3.31Å; A400-T403 PolarHBondContact O-OG1 3.48Å; T403-I405 PolarHBondContact O-N 2.97Å; T403-I405 VanDerWaalsContact O-N 3.07Å; T403-T406 WeakPolarHBondContact CA-OG1 3.46Å; T403-F407 WeakPolarHBondContact O-CB 3.38Å; T403-F407 PolarHBondContact O-N 3.24Å; T403-P408 WeakPolarHBondContact O-CD 3.38Å |
| 404 | I | 91.9 | Very high | 91.8 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 11% | 0.108 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -51.2 | -35.4 | 175.5 | -73.3 | 163.2 | 0 | 0 | 0 | 112.6 | L4 F378 T379 F382 A400 F402 P408 | L4-I404 HydrophobicContact CD2-CD1 4.49Å; F378-I404 HydrophobicContact CE1-CD1 4.5Å; F378-I404 HydrophobicContact CE1-CG2 3.65Å; F378-I404 HydrophobicContact CZ-CG2 4.04Å; T379-I404 HydrophobicContact CG2-CD1 3.86Å; F382-I404 HydrophobicContact CB-CG1 4.04Å; F382-I404 HydrophobicContact CD1-CG1 4.3Å; F382-I404 HydrophobicContact CD2-CG1 3.74Å; F382-I404 HydrophobicContact CE2-CG1 4.21Å; F382-I404 HydrophobicContact CE2-CG2 4.46Å; F382-I404 HydrophobicContact CG-CG1 3.77Å; A400-I404 VanDerWaalsContact O-CG1 3.26Å; A400-I404 WeakPolarHBondContact O-CG1 3.29Å; A400-I404 PolarHBondContact O-N 3.24Å; A400-I404 VanDerWaalsContact O-N 3.08Å; F402-I404 PolarHBondContact O-N 3.2Å; I404-P408 WeakPolarHBondContact O-CD 3.38Å; I404-P408 WeakPolarHBondContact O-CG 3.46Å |
| 405 | I | 92.9 | Very high | 91.9 | Very high | 101 Ų | 101 | 18.9 Ų | 18.9 | 52% | 0.518 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -104.1 | -47.3 | -178 | -62.1 | 174 | 0 | 0 | 0 | 111.1 | F402 T403 F407 F409 F464 | F402-I405 PolarHBondContact O-N 2.75Å; F402-I405 VanDerWaalsContact O-N 3.1Å; T403-I405 PolarHBondContact O-N 2.97Å; T403-I405 VanDerWaalsContact O-N 3.07Å; I405-F407 VanDerWaalsContact C-N 3.34Å; I405-F407 PolarHBondContact O-N 3.08Å; I405-F409 VanDerWaalsContact O-CB 3.29Å; I405-F409 WeakPolarHBondContact O-CB 3.45Å; I405-F409 PolarHBondContact O-N 3.31Å; I405-F464 HydrophobicContact CG2-CZ 4.13Å |
| 406 | T | 93.4 | Very high | 92 | Very high | 29 Ų | 29 | 16.4 Ų | 16.4 | 18% | 0.178 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.1 | -33.5 | -173.7 | 60 | 0 | 0 | 0 | 0 | 112.2 | F402 T403 F409 L410 H816 | F402-T406 PolarHBondContact O-N 2.87Å; F402-T406 PolarHBondContact O-OG1 3.41Å; T403-T406 WeakPolarHBondContact CA-OG1 3.46Å; T406-F409 PolarHBondContact O-N 2.92Å; T406-L410 WeakPolarHBondContact O-CG 3.39Å; T406-L410 PolarHBondContact O-N 2.78Å; T406-H816 PolarHBondContact OG1-NE2 3.31Å |
| 407 | F | 94.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 2% | 0.022 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.2 | -56.1 | -179.4 | 174.3 | -91.7 | 0 | 0 | 0 | 112.4 | F382 T403 I405 F409 L410 F411 I457 M461 F809 A812 L813 H816 | F382-F407 HydrophobicContact CE1-CD1 4.45Å; T403-F407 WeakPolarHBondContact O-CB 3.38Å; T403-F407 PolarHBondContact O-N 3.24Å; I405-F407 VanDerWaalsContact C-N 3.34Å; I405-F407 PolarHBondContact O-N 3.08Å; F407-F409 PolarHBondContact O-N 3.35Å; F407-L410 PolarHBondContact O-N 3.08Å; F407-F411 WeakPolarHBondContact O-CB 3.27Å; F407-F411 PolarHBondContact O-N 3.05Å; F407-F411 VanDerWaalsContact O-N 3.07Å; F407-I457 HydrophobicContact CD1-CG2 4.09Å; F407-I457 HydrophobicContact CE1-CG2 3.72Å; F407-M461 HydrophobicContact CE1-SD 3.91Å; F407-F809 AromaticContact CE1-CD2 3.84Å; F407-F809 HydrophobicContact CE1-CD2 3.84Å; F407-F809 AromaticContact CE1-CE2 3.56Å; F407-F809 HydrophobicContact CE1-CE2 3.56Å; F407-F809 HydrophobicContact CE1-CZ 4.45Å; F407-F809 AromaticContact CZ-CD2 3.43Å; F407-F809 HydrophobicContact CZ-CD2 3.43Å; F407-F809 VanDerWaalsContact CZ-CD2 3.43Å; F407-F809 AromaticContact CZ-CE2 3.3Å; F407-F809 HydrophobicContact CZ-CE2 3.3Å; F407-F809 HydrophobicContact CZ-CG 4.16Å; F407-F809 AromaticContact CZ-CZ 3.93Å; F407-F809 HydrophobicContact CZ-CZ 3.93Å; F407-A812 HydrophobicContact CD2-CB 4.25Å; F407-A812 HydrophobicContact CE2-CB 3.88Å; F407-A812 HydrophobicContact CZ-CB 4.49Å; F407-L813 HydrophobicContact CE2-CB 3.76Å; F407-L813 HydrophobicContact CZ-CB 4.49Å; F407-H816 WeakPolarHBondContact CA-CE1 3.47Å; F407-H816 AromaticContact CD2-ND1 3.79Å; F407-H816 PolarHBondContact N-NE2 2.85Å |
| 408 | P | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -31.6 | 174.5 | -28.5 | 39.8 | 0 | 0 | 0 | 113.9 | F382 T403 I404 A412 M460 M461 F464 | F382-P408 HydrophobicContact CE1-CG 4.12Å; F382-P408 HydrophobicContact CZ-CG 4.27Å; T403-P408 WeakPolarHBondContact O-CD 3.38Å; I404-P408 WeakPolarHBondContact O-CD 3.38Å; I404-P408 WeakPolarHBondContact O-CG 3.46Å; P408-A412 VanDerWaalsContact O-CB 3.29Å; P408-A412 WeakPolarHBondContact O-CB 3.28Å; P408-A412 PolarHBondContact O-N 3.47Å; P408-M460 HydrophobicContact CB-CB 3.91Å; P408-M460 HydrophobicContact CG-CB 3.67Å; P408-M461 HydrophobicContact CB-CG 4.08Å; P408-M461 HydrophobicContact CG-CG 4.45Å; P408-F464 HydrophobicContact CB-CD2 3.46Å; P408-F464 VanDerWaalsContact CB-CD2 3.46Å; P408-F464 HydrophobicContact CB-CE2 3.99Å; P408-F464 HydrophobicContact CB-CG 4.4Å |
| 409 | F | 95.1 | Very high | 92.6 | Very high | 58 Ų | 58 | 16.6 Ų | 16.6 | 25% | 0.254 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -68.7 | -47.4 | 178.1 | 177 | -102.3 | 0 | 0 | 0 | 112.9 | I405 T406 F407 F411 A412 V413 F464 L552 | I405-F409 VanDerWaalsContact O-CB 3.29Å; I405-F409 WeakPolarHBondContact O-CB 3.45Å; I405-F409 PolarHBondContact O-N 3.31Å; T406-F409 PolarHBondContact O-N 2.92Å; F407-F409 PolarHBondContact O-N 3.35Å; F409-F411 VanDerWaalsContact C-N 3.3Å; F409-F411 PolarHBondContact O-N 3.37Å; F409-A412 WeakPolarHBondContact O-CB 3.35Å; F409-A412 PolarHBondContact O-N 3.44Å; F409-V413 HydrophobicContact CE1-CG2 4.29Å; F409-V413 HydrophobicContact CZ-CG2 4.21Å; F409-V413 WeakPolarHBondContact O-CG2 3.34Å; F409-V413 PolarHBondContact O-N 3.46Å; F409-V413 VanDerWaalsContact O-N 3.09Å; F409-F464 HydrophobicContact CD2-CD1 4.36Å; F409-L552 HydrophobicContact CE1-CD1 4.13Å; F409-L552 HydrophobicContact CE1-CD2 3.83Å; F409-L552 HydrophobicContact CZ-CD1 4.46Å; F409-L552 HydrophobicContact CZ-CD2 4.23Å |
| 410 | L | 94.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 176.4 | -69.3 | -170.7 | 0 | 0 | 0 | 111.7 | T406 F407 V413 M414 Y748 L751 L815 | T406-L410 WeakPolarHBondContact O-CG 3.39Å; T406-L410 PolarHBondContact O-N 2.78Å; F407-L410 PolarHBondContact O-N 3.08Å; L410-V413 PolarHBondContact O-N 3.33Å; L410-M414 PolarHBondContact O-N 3.45Å; L410-Y748 HydrophobicContact CD1-CE1 4.45Å; L410-L751 HydrophobicContact CB-CD2 4.25Å; L410-L751 HydrophobicContact CD2-CD1 4.21Å; L410-L751 HydrophobicContact CD2-CD2 4.21Å; L410-L815 HydrophobicContact CD1-CB 4.34Å; L410-L815 HydrophobicContact CD1-CD1 4.33Å |
| 411 | F | 95.4 | Very high | 93 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.7 | -49.4 | 170.3 | 172.8 | -94.7 | 0 | 0 | 0 | 111.3 | F407 F409 V413 M414 F415 M424 M461 G805 A808 F809 A812 | F407-F411 WeakPolarHBondContact O-CB 3.27Å; F407-F411 PolarHBondContact O-N 3.05Å; F407-F411 VanDerWaalsContact O-N 3.07Å; F409-F411 VanDerWaalsContact C-N 3.3Å; F409-F411 PolarHBondContact O-N 3.37Å; F411-V413 VanDerWaalsContact C-N 3.27Å; F411-V413 PolarHBondContact O-N 3.08Å; F411-M414 WeakPolarHBondContact O-CB 3.17Å; F411-M414 PolarHBondContact O-N 3.45Å; F411-M414 VanDerWaalsContact O-N 3.08Å; F411-F415 HydrophobicContact CD1-CB 4.39Å; F411-F415 HydrophobicContact CE1-CB 3.84Å; F411-F415 HydrophobicContact CE1-CD1 4.03Å; F411-F415 HydrophobicContact CE1-CG 4.16Å; F411-F415 HydrophobicContact CE2-CB 4.18Å; F411-F415 HydrophobicContact CZ-CB 3.72Å; F411-F415 AromaticContact CZ-CD1 3.98Å; F411-F415 HydrophobicContact CZ-CD1 3.98Å; F411-F415 AromaticContact CZ-CG 3.84Å; F411-F415 HydrophobicContact CZ-CG 3.84Å; F411-F415 PolarHBondContact O-N 3.41Å; F411-M424 HydrophobicContact CE1-CE 4.26Å; F411-M424 HydrophobicContact CE1-SD 4.06Å; F411-M424 HydrophobicContact CZ-CE 3.97Å; F411-M424 HydrophobicContact CZ-SD 4.27Å; F411-M461 HydrophobicContact CB-CG 4.28Å; F411-M461 HydrophobicContact CB-SD 4.19Å; F411-M461 HydrophobicContact CD1-CB 3.55Å; F411-M461 HydrophobicContact CD1-CG 3.61Å; F411-M461 HydrophobicContact CD1-SD 3.74Å; F411-M461 HydrophobicContact CD2-SD 3.84Å; F411-M461 HydrophobicContact CE1-CB 3.72Å; F411-M461 HydrophobicContact CE1-CG 4.16Å; F411-M461 HydrophobicContact CE1-SD 4.08Å; F411-M461 HydrophobicContact CE2-SD 4.15Å; F411-M461 HydrophobicContact CG-CB 4.37Å; F411-M461 HydrophobicContact CG-CG 3.93Å; F411-M461 HydrophobicContact CG-SD 3.62Å; F411-M461 HydrophobicContact CZ-SD 4.27Å; F411-G805 WeakPolarHBondContact CE2-O 3.43Å; F411-A808 HydrophobicContact CD2-CB 3.96Å; F411-A808 HydrophobicContact CE2-CB 3.71Å; F411-F809 HydrophobicContact CD2-CB 4.33Å; F411-F809 HydrophobicContact CE2-CB 4.27Å; F411-A812 HydrophobicContact CB-CB 4.18Å |
| 412 | A | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.3 | -28.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P408 F409 F415 G416 F464 T468 | P408-A412 VanDerWaalsContact O-CB 3.29Å; P408-A412 WeakPolarHBondContact O-CB 3.28Å; P408-A412 PolarHBondContact O-N 3.47Å; F409-A412 WeakPolarHBondContact O-CB 3.35Å; F409-A412 PolarHBondContact O-N 3.44Å; A412-F415 CarbonylContact O-C 3.56Å; A412-F415 VanDerWaalsContact O-C 3.28Å; A412-G416 VanDerWaalsContact O-CA 3.28Å; A412-G416 WeakPolarHBondContact O-CA 3.27Å; A412-G416 PolarHBondContact O-N 3.31Å; A412-G416 VanDerWaalsContact O-N 3.15Å; A412-F464 HydrophobicContact CB-CB 3.58Å; A412-F464 WeakPolarHBondContact CB-O 3.48Å; A412-T468 HydrophobicContact CB-CG2 3.66Å; A412-T468 WeakPolarHBondContact O-CB 3.44Å; A412-T468 PolarHBondContact O-OG1 3.09Å |
| 413 | V | 94.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | F409 L410 F411 T468 Y472 M548 L552 L751 S755 | F409-V413 HydrophobicContact CE1-CG2 4.29Å; F409-V413 HydrophobicContact CZ-CG2 4.21Å; F409-V413 WeakPolarHBondContact O-CG2 3.34Å; F409-V413 PolarHBondContact O-N 3.46Å; F409-V413 VanDerWaalsContact O-N 3.09Å; L410-V413 PolarHBondContact O-N 3.33Å; F411-V413 VanDerWaalsContact C-N 3.27Å; F411-V413 PolarHBondContact O-N 3.08Å; V413-T468 HydrophobicContact CG2-CG2 4.36Å; V413-Y472 PolarHBondContact O-OH 3.07Å; V413-Y472 VanDerWaalsContact O-OH 3.06Å; V413-M548 HydrophobicContact CG1-CE 4.33Å; V413-M548 HydrophobicContact CG1-SD 4.43Å; V413-M548 HydrophobicContact CG2-CE 4.12Å; V413-L552 HydrophobicContact CG1-CD1 4.19Å; V413-L552 HydrophobicContact CG2-CD1 3.87Å; V413-L751 HydrophobicContact CB-CD2 4.41Å; V413-L751 HydrophobicContact CG1-CB 4.24Å; V413-L751 HydrophobicContact CG1-CD2 4.27Å; V413-S755 VanDerWaalsContact O-CB 3.3Å; V413-S755 WeakPolarHBondContact O-CB 3.26Å; V413-S755 PolarHBondContact O-OG 2.99Å; V413-S755 VanDerWaalsContact O-OG 3.05Å |
| 414 | M | 94.4 | Very high | 93.5 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.4 | -44.3 | 173.4 | -60.9 | -174.5 | -174.2 | 0 | 0 | 111.3 | L410 F411 L751 L754 S755 A808 H811 L815 | L410-M414 PolarHBondContact O-N 3.45Å; F411-M414 WeakPolarHBondContact O-CB 3.17Å; F411-M414 PolarHBondContact O-N 3.45Å; F411-M414 VanDerWaalsContact O-N 3.08Å; M414-L751 HydrophobicContact CE-CD2 3.36Å; M414-L751 HydrophobicContact CE-CG 4.03Å; M414-L751 HydrophobicContact CG-CD2 3.78Å; M414-L751 HydrophobicContact SD-CD2 4.4Å; M414-L754 HydrophobicContact CB-CB 4.21Å; M414-L754 HydrophobicContact CG-CB 4.38Å; M414-L754 HydrophobicContact SD-CD2 3.95Å; M414-S755 VanDerWaalsContact O-CA 3.24Å; M414-S755 WeakPolarHBondContact O-CA 3.44Å; M414-A808 HydrophobicContact CB-CB 3.99Å; M414-A808 HydrophobicContact SD-CB 4.35Å; M414-H811 HydrophobicContact CE-CB 3.89Å; M414-H811 HydrophobicContact SD-CB 3.82Å; M414-L815 HydrophobicContact CE-CD1 3.53Å |
| 415 | F | 92.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -107.8 | 58.5 | -174.8 | -161.2 | -99.7 | 0 | 0 | 0 | 111.3 | F411 A412 D417 H420 M424 S465 H758 L800 L801 A808 | F411-F415 HydrophobicContact CD1-CB 4.39Å; F411-F415 HydrophobicContact CE1-CB 3.84Å; F411-F415 HydrophobicContact CE1-CD1 4.03Å; F411-F415 HydrophobicContact CE1-CG 4.16Å; F411-F415 HydrophobicContact CE2-CB 4.18Å; F411-F415 HydrophobicContact CZ-CB 3.72Å; F411-F415 AromaticContact CZ-CD1 3.98Å; F411-F415 HydrophobicContact CZ-CD1 3.98Å; F411-F415 AromaticContact CZ-CG 3.84Å; F411-F415 HydrophobicContact CZ-CG 3.84Å; F411-F415 PolarHBondContact O-N 3.41Å; A412-F415 CarbonylContact O-C 3.56Å; A412-F415 VanDerWaalsContact O-C 3.28Å; F415-D417 PolarHBondContact O-N 3.02Å; F415-H420 HydrophobicContact CE1-CB 3.55Å; F415-H420 HydrophobicContact CZ-CB 3.67Å; F415-M424 HydrophobicContact CD1-CE 4.14Å; F415-M424 HydrophobicContact CE1-CE 3.76Å; F415-M424 HydrophobicContact CZ-CE 4.36Å; F415-S465 WeakPolarHBondContact O-CB 3.48Å; F415-S465 PolarHBondContact O-OG 3Å; F415-H758 AromaticContact CD2-CE1 3.68Å; F415-H758 AromaticContact CD2-ND1 3.83Å; F415-H758 AromaticContact CE2-CE1 3.11Å; F415-H758 WeakPolarHBondContact CE2-CE1 3.43Å; F415-H758 AromaticContact CE2-ND1 3.57Å; F415-H758 AromaticContact CE2-NE2 3.75Å; F415-H758 AromaticContact CZ-CE1 3.65Å; F415-L800 WeakPolarHBondContact CE2-O 3.37Å; F415-L801 HydrophobicContact CE1-CD2 4.38Å; F415-L801 HydrophobicContact CZ-CD2 4.23Å; F415-L801 HydrophobicContact CZ-CG 4.4Å; F415-A808 HydrophobicContact CB-CB 4.45Å |
| 416 | G | 89.1 | Confident | 93.7 | Very high | 7 Ų | 7 | 21 Ų | 21 | 7% | 0.072 | 11% | 0.111 | C | C | . | . | trans | -93.9 | 80.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A412 | A412-G416 VanDerWaalsContact O-CA 3.28Å; A412-G416 WeakPolarHBondContact O-CA 3.27Å; A412-G416 PolarHBondContact O-N 3.31Å; A412-G416 VanDerWaalsContact O-N 3.15Å | ||
| 417 | D | 93.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | trans | -136.3 | 126.7 | 170.4 | -172.6 | -30.2 | 0 | 0 | 0 | 109.1 | F415 G419 H420 G421 S465 C475 F476 | F415-D417 PolarHBondContact O-N 3.02Å; D417-G419 VanDerWaalsContact C-N 3.33Å; D417-G419 PolarHBondContact O-N 3.25Å; D417-G419 PolarHBondContact OD1-N 2.96Å; D417-H420 HydrophobicContact CB-CB 4.19Å; D417-H420 IonicContact OD2-CE1 2.79Å; D417-H420 PolarHBondContact OD2-CE1 2.96Å; D417-H420 VanDerWaalsContact OD2-CE1 3.3Å; D417-H420 IonicContact OD2-CG 3.86Å; D417-H420 IonicContact OD2-ND1 3.62Å; D417-H420 PolarHBondContact OD2-ND1 3.02Å; D417-G421 PolarHBondContact O-N 3.3Å; D417-S465 PolarHBondContact O-OG 2.95Å; D417-C475 WeakPolarHBondContact OD1-CA 3.5Å; D417-F476 PolarHBondContact OD1-N 3.07Å; D417-F476 PolarHBondContact OD2-N 3.32Å | ||
| 418 | L | 93 | Very high | 93.6 | Very high | 20 Ų | 20 | 23.4 Ų | 23.4 | 11% | 0.105 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 179.5 | 176.9 | 63.1 | 0 | 0 | 0 | 112 | I422 I466 L470 D474 C475 L480 | L418-I422 HydrophobicContact CD1-CD1 4.04Å; L418-I422 HydrophobicContact CD1-CG1 4.4Å; L418-I422 HydrophobicContact CG-CD1 4.08Å; L418-I422 VanDerWaalsContact O-CG1 3.27Å; L418-I422 WeakPolarHBondContact O-CG1 3.48Å; L418-I422 PolarHBondContact O-N 3.44Å; L418-I422 VanDerWaalsContact O-N 3.08Å; L418-I466 HydrophobicContact CD1-CB 4.27Å; L418-I466 HydrophobicContact CD1-CG1 4.37Å; L418-I466 HydrophobicContact CD1-CG2 3.69Å; L418-L470 HydrophobicContact CD1-CD2 4.06Å; L418-L470 HydrophobicContact CD1-CG 4.02Å; L418-L470 HydrophobicContact CD2-CD2 3.82Å; L418-L470 HydrophobicContact CG-CD2 4.5Å; L418-D474 WeakPolarHBondContact CB-O 3.27Å; L418-D474 PolarHBondContact N-O 3.22Å; L418-C475 HydrophobicContact CB-CB 4.19Å; L418-C475 HydrophobicContact CD2-CB 4.25Å; L418-L480 HydrophobicContact CD2-CD1 3.59Å |
| 419 | G | 91.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.6 | -50.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D417 G421 I422 I423 | D417-G419 VanDerWaalsContact C-N 3.33Å; D417-G419 PolarHBondContact O-N 3.25Å; D417-G419 PolarHBondContact OD1-N 2.96Å; G419-G421 VanDerWaalsContact C-N 3.34Å; G419-G421 PolarHBondContact O-N 2.91Å; G419-I422 PolarHBondContact O-N 3.02Å; G419-I423 PolarHBondContact O-N 3.41Å |
| 420 | H | 92.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.8 | -58.5 | 143.8 | 0 | 0 | 0 | 112 | F415 D417 I422 I423 M424 F476 H758 L801 | F415-H420 HydrophobicContact CE1-CB 3.55Å; F415-H420 HydrophobicContact CZ-CB 3.67Å; D417-H420 HydrophobicContact CB-CB 4.19Å; D417-H420 IonicContact OD2-CE1 2.79Å; D417-H420 PolarHBondContact OD2-CE1 2.96Å; D417-H420 VanDerWaalsContact OD2-CE1 3.3Å; D417-H420 IonicContact OD2-CG 3.86Å; D417-H420 IonicContact OD2-ND1 3.62Å; D417-H420 PolarHBondContact OD2-ND1 3.02Å; H420-I422 PolarHBondContact O-N 3.35Å; H420-I423 PolarHBondContact O-N 3.08Å; H420-M424 WeakPolarHBondContact O-CB 3.43Å; H420-M424 PolarHBondContact O-N 3.18Å; H420-F476 AromaticContact CD2-CD1 3.97Å; H420-F476 AromaticContact CD2-CE1 3.59Å; H420-F476 AromaticContact NE2-CD1 3.72Å; H420-F476 AromaticContact NE2-CE1 3.78Å; H420-H758 AromaticContact CE1-CE1 3.77Å; H420-H758 AromaticContact CE1-NE2 3.73Å; H420-H758 AromaticContact ND1-CE1 3.33Å; H420-H758 PolarHBondContact ND1-CE1 3.23Å; H420-H758 VanDerWaalsContact ND1-CE1 3.33Å; H420-H758 AromaticContact ND1-NE2 3.09Å; H420-H758 PolarHBondContact ND1-NE2 3.08Å; H420-L801 HydrophobicContact CB-CG 4.31Å |
| 421 | G | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D417 G419 M424 S425 | D417-G421 PolarHBondContact O-N 3.3Å; G419-G421 VanDerWaalsContact C-N 3.34Å; G419-G421 PolarHBondContact O-N 2.91Å; G421-M424 PolarHBondContact O-N 3.33Å; G421-S425 VanDerWaalsContact O-CB 3.31Å; G421-S425 WeakPolarHBondContact O-CB 3.03Å; G421-S425 PolarHBondContact O-N 3.27Å |
| 422 | I | 94.8 | Very high | 92.7 | Very high | 87 Ų | 87 | 32 Ų | 32 | 45% | 0.446 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63 | -46.7 | 175 | -70.2 | 165.9 | 0 | 0 | 0 | 111.1 | L418 G419 H420 M424 S425 L426 I466 | L418-I422 HydrophobicContact CD1-CD1 4.04Å; L418-I422 HydrophobicContact CD1-CG1 4.4Å; L418-I422 HydrophobicContact CG-CD1 4.08Å; L418-I422 VanDerWaalsContact O-CG1 3.27Å; L418-I422 WeakPolarHBondContact O-CG1 3.48Å; L418-I422 PolarHBondContact O-N 3.44Å; L418-I422 VanDerWaalsContact O-N 3.08Å; G419-I422 PolarHBondContact O-N 3.02Å; H420-I422 PolarHBondContact O-N 3.35Å; I422-M424 PolarHBondContact O-N 3.13Å; I422-S425 PolarHBondContact O-N 3.14Å; I422-L426 WeakPolarHBondContact O-CB 3.01Å; I422-L426 PolarHBondContact O-N 3.47Å; I422-I466 HydrophobicContact CG1-CD1 3.94Å; I422-I466 HydrophobicContact CG1-CG1 4.02Å |
| 423 | I | 94.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 33% | 0.333 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 179.1 | -64.9 | 168.8 | 0 | 0 | 0 | 110.3 | G419 H420 S425 L426 F427 F476 L801 | G419-I423 PolarHBondContact O-N 3.41Å; H420-I423 PolarHBondContact O-N 3.08Å; I423-S425 PolarHBondContact O-N 3.08Å; I423-L426 PolarHBondContact O-N 3.36Å; I423-F427 PolarHBondContact O-N 2.94Å; I423-F476 HydrophobicContact CD1-CE1 4.2Å; I423-F476 HydrophobicContact CD1-CZ 3.85Å; I423-L801 HydrophobicContact CB-CD1 3.91Å; I423-L801 HydrophobicContact CD1-CD1 4.18Å; I423-L801 HydrophobicContact CG2-CD1 3.57Å |
| 424 | M | 93.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.8 | -172.3 | 179.7 | -66.4 | 0 | 0 | 111.9 | F411 F415 H420 G421 I422 L426 F427 A428 I458 M461 L801 | F411-M424 HydrophobicContact CE1-CE 4.26Å; F411-M424 HydrophobicContact CE1-SD 4.06Å; F411-M424 HydrophobicContact CZ-CE 3.97Å; F411-M424 HydrophobicContact CZ-SD 4.27Å; F415-M424 HydrophobicContact CD1-CE 4.14Å; F415-M424 HydrophobicContact CE1-CE 3.76Å; F415-M424 HydrophobicContact CZ-CE 4.36Å; H420-M424 WeakPolarHBondContact O-CB 3.43Å; H420-M424 PolarHBondContact O-N 3.18Å; G421-M424 PolarHBondContact O-N 3.33Å; I422-M424 PolarHBondContact O-N 3.13Å; M424-L426 PolarHBondContact O-N 3.28Å; M424-F427 PolarHBondContact O-N 3.32Å; M424-A428 WeakPolarHBondContact O-CB 3.21Å; M424-A428 PolarHBondContact O-N 3.21Å; M424-I458 HydrophobicContact CG-CG2 3.71Å; M424-I458 HydrophobicContact SD-CG2 4.34Å; M424-M461 HydrophobicContact SD-CB 4.21Å; M424-L801 HydrophobicContact CB-CD2 4.03Å; M424-L801 HydrophobicContact CE-CD2 3.61Å |
| 425 | S | 94.3 | Very high | 90.9 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 11% | 0.105 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 178 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | G421 I422 I423 L429 | G421-S425 VanDerWaalsContact O-CB 3.31Å; G421-S425 WeakPolarHBondContact O-CB 3.03Å; G421-S425 PolarHBondContact O-N 3.27Å; I422-S425 PolarHBondContact O-N 3.14Å; I423-S425 PolarHBondContact O-N 3.08Å; S425-L429 VanDerWaalsContact O-CB 3.24Å; S425-L429 WeakPolarHBondContact O-CB 3.15Å; S425-L429 PolarHBondContact O-N 2.96Å |
| 426 | L | 94.8 | Very high | 90 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.2 | -45.3 | 177.9 | -163.1 | 166 | 0 | 0 | 0 | 110.3 | I422 I423 M424 A428 L429 W430 | I422-L426 WeakPolarHBondContact O-CB 3.01Å; I422-L426 PolarHBondContact O-N 3.47Å; I423-L426 PolarHBondContact O-N 3.36Å; M424-L426 PolarHBondContact O-N 3.28Å; L426-A428 PolarHBondContact O-N 3.42Å; L426-L429 PolarHBondContact O-N 3.32Å; L426-W430 WeakPolarHBondContact O-CB 3.28Å; L426-W430 PolarHBondContact O-N 2.81Å |
| 427 | F | 91.9 | Very high | 89.1 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 175.2 | 178.6 | -108.4 | 0 | 0 | 0 | 112.3 | I423 M424 W430 M431 W448 | I423-F427 PolarHBondContact O-N 2.94Å; M424-F427 PolarHBondContact O-N 3.32Å; F427-W430 HydrophobicContact CD2-CE3 4.28Å; F427-W430 HydrophobicContact CE2-CE3 4.1Å; F427-W430 HydrophobicContact CE2-CZ3 4.14Å; F427-W430 WeakPolarHBondContact O-CB 3.47Å; F427-W430 PolarHBondContact O-N 3.22Å; F427-M431 HydrophobicContact CD1-CE 3.71Å; F427-M431 HydrophobicContact CE1-CE 3.4Å; F427-M431 VanDerWaalsContact CE1-CE 3.4Å; F427-M431 HydrophobicContact CE1-SD 3.82Å; F427-M431 HydrophobicContact CZ-CE 4.11Å; F427-M431 HydrophobicContact CZ-CG 4.4Å; F427-M431 HydrophobicContact CZ-SD 3.93Å; F427-M431 PolarHBondContact O-N 3.5Å; F427-M431 VanDerWaalsContact O-N 3.11Å; F427-W448 HydrophobicContact CZ-CH2 4.21Å; F427-W448 HydrophobicContact CZ-CZ3 4.1Å |
| 428 | A | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M424 L426 W430 M431 V432 I458 L459 | M424-A428 WeakPolarHBondContact O-CB 3.21Å; M424-A428 PolarHBondContact O-N 3.21Å; L426-A428 PolarHBondContact O-N 3.42Å; A428-W430 VanDerWaalsContact C-N 3.28Å; A428-W430 PolarHBondContact O-N 3.49Å; A428-M431 PolarHBondContact O-N 3.32Å; A428-V432 WeakPolarHBondContact O-CG2 3.44Å; A428-V432 PolarHBondContact O-N 3Å; A428-I458 HydrophobicContact CB-CB 4.12Å; A428-I458 HydrophobicContact CB-CG2 3.9Å; A428-L459 HydrophobicContact CB-CB 3.91Å; A428-L459 HydrophobicContact CB-CD1 4.01Å |
| 429 | L | 93.2 | Very high | 85.8 | Confident | 97 Ų | 97 | 71.8 Ų | 71.8 | 51% | 0.508 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 177.6 | -170.9 | 146.1 | 0 | 0 | 0 | 111.5 | S425 L426 V432 R433 L459 | S425-L429 VanDerWaalsContact O-CB 3.24Å; S425-L429 WeakPolarHBondContact O-CB 3.15Å; S425-L429 PolarHBondContact O-N 2.96Å; L426-L429 PolarHBondContact O-N 3.32Å; L429-V432 PolarHBondContact O-N 3.43Å; L429-R433 WeakPolarHBondContact O-CB 3.43Å; L429-R433 PolarHBondContact O-N 3.21Å; L429-L459 HydrophobicContact CB-CD1 4.16Å |
| 430 | W | 91.7 | Very high | 84.2 | Confident | 108 Ų | 108 | 73 Ų | 73 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 171.8 | 178 | 82.1 | 0 | 0 | 0 | 111.4 | L426 F427 A428 V432 R433 Y434 L440 W448 | L426-W430 WeakPolarHBondContact O-CB 3.28Å; L426-W430 PolarHBondContact O-N 2.81Å; F427-W430 HydrophobicContact CD2-CE3 4.28Å; F427-W430 HydrophobicContact CE2-CE3 4.1Å; F427-W430 HydrophobicContact CE2-CZ3 4.14Å; F427-W430 WeakPolarHBondContact O-CB 3.47Å; F427-W430 PolarHBondContact O-N 3.22Å; A428-W430 VanDerWaalsContact C-N 3.28Å; A428-W430 PolarHBondContact O-N 3.49Å; W430-V432 PolarHBondContact O-N 3.16Å; W430-R433 PolarHBondContact O-N 3.15Å; W430-Y434 AromaticContact CD1-CD2 3.55Å; W430-Y434 AromaticContact CD1-CE2 3.39Å; W430-Y434 HydrophobicContact CD2-CD2 4.29Å; W430-Y434 AromaticContact CE2-CD2 3.87Å; W430-Y434 HydrophobicContact CG-CD2 4.08Å; W430-Y434 HydrophobicContact CG-CE2 4.33Å; W430-Y434 AromaticContact NE1-CD2 3.38Å; W430-Y434 AromaticContact NE1-CE2 3.2Å; W430-Y434 WeakPolarHBondContact O-CD2 3.34Å; W430-Y434 PolarHBondContact O-N 3.23Å; W430-Y434 VanDerWaalsContact O-N 3.13Å; W430-L440 HydrophobicContact CH2-CD1 4.29Å; W430-W448 AromaticContact CZ3-CH2 3.84Å; W430-W448 HydrophobicContact CZ3-CH2 3.84Å; W430-W448 HydrophobicContact CZ3-CZ2 4.43Å |
| 431 | M | 87.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 176 | -70 | -171.2 | -70.8 | 0 | 0 | 113 | F427 A428 W448 R455 I458 | F427-M431 HydrophobicContact CD1-CE 3.71Å; F427-M431 HydrophobicContact CE1-CE 3.4Å; F427-M431 VanDerWaalsContact CE1-CE 3.4Å; F427-M431 HydrophobicContact CE1-SD 3.82Å; F427-M431 HydrophobicContact CZ-CE 4.11Å; F427-M431 HydrophobicContact CZ-CG 4.4Å; F427-M431 HydrophobicContact CZ-SD 3.93Å; F427-M431 PolarHBondContact O-N 3.5Å; F427-M431 VanDerWaalsContact O-N 3.11Å; A428-M431 PolarHBondContact O-N 3.32Å; M431-W448 HydrophobicContact CG-CH2 4.19Å; M431-W448 HydrophobicContact CG-CZ2 4.49Å; M431-W448 HydrophobicContact SD-CH2 3.99Å; M431-W448 HydrophobicContact SD-CZ2 4.39Å; M431-R455 HydrophobicContact CB-CB 4.27Å; M431-I458 HydrophobicContact CE-CD1 3.84Å |
| 432 | V | 88.5 | Confident | 80.9 | Confident | 39 Ų | 39 | 84.3 Ų | 84.3 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A428 L429 W430 Y434 E435 R455 Y456 | A428-V432 WeakPolarHBondContact O-CG2 3.44Å; A428-V432 PolarHBondContact O-N 3Å; L429-V432 PolarHBondContact O-N 3.43Å; W430-V432 PolarHBondContact O-N 3.16Å; V432-Y434 PolarHBondContact O-N 2.88Å; V432-E435 WeakPolarHBondContact O-CB 3.3Å; V432-E435 PolarHBondContact O-N 3.43Å; V432-R455 HydrophobicContact CG2-CB 4.22Å; V432-R455 HydrophobicContact CG2-CG 4.06Å; V432-Y456 HydrophobicContact CG1-CE1 4.13Å; V432-Y456 HydrophobicContact CG2-CD1 4.25Å; V432-Y456 HydrophobicContact CG2-CE1 4.12Å |
| 433 | R | 87.4 | Confident | 79.4 | Confident | 202 Ų | 202 | 82 Ų | 82 | 76% | 0.762 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69 | -33.6 | -179.6 | -168.2 | 176.8 | 179.6 | 92.6 | -0 | 112.5 | L429 W430 | L429-R433 WeakPolarHBondContact O-CB 3.43Å; L429-R433 PolarHBondContact O-N 3.21Å; W430-R433 PolarHBondContact O-N 3.15Å |
| 434 | Y | 83 | Confident | 77.8 | Confident | 102 Ų | 102 | 88.2 Ų | 88.2 | 40% | 0.4 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 20.3 | -179.5 | -73.5 | -71.1 | 0 | 0 | 0 | 114.1 | W430 V432 N436 N437 | W430-Y434 AromaticContact CD1-CD2 3.55Å; W430-Y434 AromaticContact CD1-CE2 3.39Å; W430-Y434 HydrophobicContact CD2-CD2 4.29Å; W430-Y434 AromaticContact CE2-CD2 3.87Å; W430-Y434 HydrophobicContact CG-CD2 4.08Å; W430-Y434 HydrophobicContact CG-CE2 4.33Å; W430-Y434 AromaticContact NE1-CD2 3.38Å; W430-Y434 AromaticContact NE1-CE2 3.2Å; W430-Y434 WeakPolarHBondContact O-CD2 3.34Å; W430-Y434 PolarHBondContact O-N 3.23Å; W430-Y434 VanDerWaalsContact O-N 3.13Å; V432-Y434 PolarHBondContact O-N 2.88Å; Y434-N436 PolarHBondContact O-N 2.98Å; Y434-N436 VanDerWaalsContact O-N 3.16Å; Y434-N437 WeakPolarHBondContact CD1-ND2 3.31Å; Y434-N437 PolarHBondContact O-N 3.46Å |
| 435 | E | 77.1 | Confident | 77 | Confident | 41 Ų | 41 | 92.5 Ų | 92.5 | 19% | 0.192 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.6 | -178.2 | -177.8 | 175.5 | 162.3 | 0 | 0 | 113.8 | K377 V432 N437 F452 R455 Y456 | K377-E435 IonicContact NZ-OE1 2.9Å; K377-E435 PolarHBondContact NZ-OE1 2.91Å; V432-E435 WeakPolarHBondContact O-CB 3.3Å; V432-E435 PolarHBondContact O-N 3.43Å; E435-N437 VanDerWaalsContact C-N 3.29Å; E435-N437 PolarHBondContact O-N 3.34Å; E435-F452 HydrophobicContact CG-CZ 4.41Å; E435-R455 IonicContact OE1-NH2 2.81Å; E435-R455 PolarHBondContact OE1-NH2 2.77Å; E435-R455 VanDerWaalsContact OE1-NH2 3.07Å; E435-R455 IonicContact OE2-CZ 2.89Å; E435-R455 IonicContact OE2-NE 2.91Å; E435-R455 PolarHBondContact OE2-NE 3.48Å; E435-R455 IonicContact OE2-NH2 3.35Å; E435-R455 PolarHBondContact OE2-NH2 3.19Å; E435-Y456 PolarHBondContact OE2-OH 2.94Å |
| 436 | N | 71.1 | Confident | 76.3 | Confident | 153 Ų | 153 | 99 Ų | 99 | 82% | 0.818 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.5 | -177.9 | -69.3 | -12.3 | 0 | 0 | 0 | 113.8 | Y434 R438 | Y434-N436 PolarHBondContact O-N 2.98Å; Y434-N436 VanDerWaalsContact O-N 3.16Å; N436-R438 PolarHBondContact O-N 3.46Å |
| 437 | N | 71 | Confident | 75.8 | Confident | 85 Ų | 85 | 99.1 Ų | 99.1 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | trans | -82.2 | 108 | -179.6 | -77.8 | -3.3 | 0 | 0 | 0 | 111.1 | Y434 E435 K439 L440 | Y434-N437 WeakPolarHBondContact CD1-ND2 3.31Å; Y434-N437 PolarHBondContact O-N 3.46Å; E435-N437 VanDerWaalsContact C-N 3.29Å; E435-N437 PolarHBondContact O-N 3.34Å; N437-K439 VanDerWaalsContact C-N 3.26Å; N437-K439 PolarHBondContact O-N 3.4Å; N437-L440 WeakPolarHBondContact O-CB 3.44Å; N437-L440 PolarHBondContact O-N 3.15Å | ||
| 438 | R | 56.5 | Low | 75.5 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 36% | 0.355 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.5 | -33.8 | -179.4 | -169 | 179.5 | -178.9 | 117 | -8.9 | 114.2 | E81 D83 N436 L440 K441 N442 | E81-R438 IonicContact OE2-CZ 2.67Å; E81-R438 VanDerWaalsContact OE2-CZ 3.28Å; E81-R438 IonicContact OE2-NE 3.32Å; E81-R438 PolarHBondContact OE2-NE 2.88Å; E81-R438 IonicContact OE2-NH2 2.75Å; E81-R438 PolarHBondContact OE2-NH2 3.28Å; D83-R438 VanDerWaalsContact CG-NH1 3.33Å; D83-R438 IonicContact OD1-CZ 3.65Å; D83-R438 IonicContact OD1-NH1 3.94Å; D83-R438 PolarHBondContact OD1-NH1 3.02Å; D83-R438 IonicContact OD1-NH2 3.93Å; D83-R438 IonicContact OD2-NH1 3.2Å; D83-R438 PolarHBondContact OD2-NH1 3.09Å; N436-R438 PolarHBondContact O-N 3.46Å; R438-L440 PolarHBondContact O-N 3.44Å; R438-K441 PolarHBondContact O-N 2.95Å; R438-K441 VanDerWaalsContact O-N 3.08Å; R438-N442 PolarHBondContact O-N 3.18Å |
| 439 | K | 59.5 | Low | 75 | Confident | 195 Ų | 195 | 100 Ų | 100 | 85% | 0.848 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.6 | -32.3 | 176.1 | -69.4 | -172.8 | 178.2 | -176.6 | 0 | 112.8 | N437 T443 | N437-K439 VanDerWaalsContact C-N 3.26Å; N437-K439 PolarHBondContact O-N 3.4Å; K439-T443 PolarHBondContact O-OG1 3.48Å |
| 440 | L | 58.7 | Low | 74.6 | Confident | 28 Ų | 28 | 99.7 Ų | 99.7 | 15% | 0.147 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -83.5 | -25 | 179.8 | -155 | 67.3 | 0 | 0 | 0 | 112.4 | W430 N437 R438 W448 F452 | W430-L440 HydrophobicContact CH2-CD1 4.29Å; N437-L440 WeakPolarHBondContact O-CB 3.44Å; N437-L440 PolarHBondContact O-N 3.15Å; R438-L440 PolarHBondContact O-N 3.44Å; L440-W448 HydrophobicContact CD1-CH2 4.19Å; L440-W448 HydrophobicContact CD1-CZ2 3.24Å; L440-W448 HydrophobicContact CD2-CZ2 4.02Å; L440-W448 HydrophobicContact CG-CZ2 3.57Å; L440-W448 PolarHBondContact O-NE1 3.16Å; L440-F452 HydrophobicContact CD2-CD2 4.22Å; L440-F452 HydrophobicContact CD2-CE2 3.91Å; L440-F452 HydrophobicContact CG-CD2 4.34Å; L440-F452 HydrophobicContact CG-CE2 4.29Å |
| 441 | K | 58.1 | Low | 74.3 | Confident | 143 Ų | 143 | 98.8 Ų | 98.8 | 62% | 0.622 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -84.2 | -34 | 179.6 | -170.4 | -179.6 | 177.4 | -172.2 | 0 | 112.8 | R438 F452 | R438-K441 PolarHBondContact O-N 2.95Å; R438-K441 VanDerWaalsContact O-N 3.08Å; K441-F452 HydrophobicContact CG-CE1 4.46Å |
| 442 | N | 60.4 | Low | 74.2 | Confident | 96 Ų | 96 | 99.5 Ų | 99.5 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -106.4 | 45.8 | -174.8 | -122.8 | 19 | 0 | 0 | 0 | 111.6 | R438 | R438-N442 PolarHBondContact O-N 3.18Š|
| 443 | T | 62.6 | Low | 73.9 | Confident | 40 Ų | 40 | 103.2 Ų | 103.2 | 25% | 0.245 | 48% | 0.477 | C | S | . | . | trans | -85.4 | 139.2 | 174.7 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | K439 N445 W448 N449 | K439-T443 PolarHBondContact O-OG1 3.48Å; T443-N445 HydrophobicContact CG2-CB 3.98Å; T443-N445 PolarHBondContact O-N 3.41Å; T443-W448 HydrophobicContact CG2-CB 4.3Å; T443-W448 HydrophobicContact CG2-CG 4.33Å; T443-N449 PolarHBondContact O-ND2 3.02Å; T443-N449 PolarHBondContact O-OD1 3.46Å | ||
| 444 | R | 60.3 | Low | 73.8 | Confident | 194 Ų | 194 | 94.2 Ų | 94.2 | 73% | 0.732 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -69.5 | -17.6 | 178.4 | -59.2 | -179.4 | 87.7 | 178.8 | 7.7 | 113.1 | E446 E845 | R444-E446 PolarHBondContact O-N 3.49Å; R444-E845 IonicContact CZ-OE2 3.26Å; R444-E845 IonicContact NE-OE2 3.9Å; R444-E845 IonicContact NH2-OE1 3.32Å; R444-E845 PolarHBondContact NH2-OE1 2.65Å; R444-E845 IonicContact NH2-OE2 3.54Å; R444-E845 PolarHBondContact NH2-OE2 3.41Å |
| 445 | N | 76.4 | Confident | 74.2 | Confident | 107 Ų | 107 | 90.5 Ų | 90.5 | 57% | 0.572 | 43% | 0.433 | S | S | * | . | trans | -76 | 108.1 | -178.9 | -64.6 | -9.4 | 0 | 0 | 0 | 109.9 | T443 I447 W448 N449 | T443-N445 HydrophobicContact CG2-CB 3.98Å; T443-N445 PolarHBondContact O-N 3.41Å; N445-I447 PolarHBondContact O-N 3.06Å; N445-W448 HydrophobicContact CB-CB 3.95Å; N445-W448 WeakPolarHBondContact O-CB 3.44Å; N445-W448 PolarHBondContact O-N 3.49Å; N445-N449 PolarHBondContact O-N 3.05Å; N445-N449 VanDerWaalsContact O-N 3.15Å | ||
| 446 | E | 80.9 | Confident | 74.9 | Confident | 151 Ų | 151 | 90.4 Ų | 90.4 | 71% | 0.706 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -54.3 | -39.2 | 176.3 | -64.6 | -177.2 | 169 | 0 | 0 | 112.3 | R444 W448 N449 T450 | R444-E446 PolarHBondContact O-N 3.49Å; E446-W448 VanDerWaalsContact C-N 3.3Å; E446-W448 PolarHBondContact O-N 2.83Å; E446-N449 PolarHBondContact O-N 2.87Å; E446-T450 WeakPolarHBondContact O-CG2 3.33Å; E446-T450 PolarHBondContact O-N 3.26Å; E446-T450 PolarHBondContact O-OG1 3.26Å |
| 447 | I | 84.3 | Confident | 75.9 | Confident | 123 Ų | 123 | 83.5 Ų | 83.5 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.4 | -46 | 175.6 | -60.5 | 168.2 | 0 | 0 | 0 | 110 | N445 N449 T450 F451 | N445-I447 PolarHBondContact O-N 3.06Å; I447-N449 VanDerWaalsContact C-N 3.33Å; I447-N449 PolarHBondContact O-N 3.31Å; I447-T450 PolarHBondContact O-N 3.42Å; I447-T450 PolarHBondContact O-OG1 3.44Å; I447-F451 HydrophobicContact CG2-CD2 3.72Å; I447-F451 HydrophobicContact CG2-CE2 3.67Å; I447-F451 WeakPolarHBondContact O-CD2 3.37Å; I447-F451 PolarHBondContact O-N 2.87Å; I447-F451 VanDerWaalsContact O-N 3.09Å |
| 448 | W | 84.6 | Confident | 76.9 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 19% | 0.193 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63 | -41.8 | 179.2 | -178.4 | -97 | 0 | 0 | 0 | 112 | F427 W430 M431 L440 T443 N445 E446 T450 F451 F452 | F427-W448 HydrophobicContact CZ-CH2 4.21Å; F427-W448 HydrophobicContact CZ-CZ3 4.1Å; W430-W448 AromaticContact CZ3-CH2 3.84Å; W430-W448 HydrophobicContact CZ3-CH2 3.84Å; W430-W448 HydrophobicContact CZ3-CZ2 4.43Å; M431-W448 HydrophobicContact CG-CH2 4.19Å; M431-W448 HydrophobicContact CG-CZ2 4.49Å; M431-W448 HydrophobicContact SD-CH2 3.99Å; M431-W448 HydrophobicContact SD-CZ2 4.39Å; L440-W448 HydrophobicContact CD1-CH2 4.19Å; L440-W448 HydrophobicContact CD1-CZ2 3.24Å; L440-W448 HydrophobicContact CD2-CZ2 4.02Å; L440-W448 HydrophobicContact CG-CZ2 3.57Å; L440-W448 PolarHBondContact O-NE1 3.16Å; T443-W448 HydrophobicContact CG2-CB 4.3Å; T443-W448 HydrophobicContact CG2-CG 4.33Å; N445-W448 HydrophobicContact CB-CB 3.95Å; N445-W448 WeakPolarHBondContact O-CB 3.44Å; N445-W448 PolarHBondContact O-N 3.49Å; E446-W448 VanDerWaalsContact C-N 3.3Å; E446-W448 PolarHBondContact O-N 2.83Å; W448-T450 PolarHBondContact O-N 3.24Å; W448-F451 PolarHBondContact O-N 3.48Å; W448-F452 WeakPolarHBondContact O-CB 3.28Å; W448-F452 PolarHBondContact O-N 2.85Å |
| 449 | N | 82.8 | Confident | 78.7 | Confident | 51 Ų | 51 | 77.6 Ų | 77.6 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | -180 | -65.5 | -18.1 | 0 | 0 | 0 | 111.6 | T443 N445 E446 I447 F452 E453 | T443-N449 PolarHBondContact O-ND2 3.02Å; T443-N449 PolarHBondContact O-OD1 3.46Å; N445-N449 PolarHBondContact O-N 3.05Å; N445-N449 VanDerWaalsContact O-N 3.15Å; E446-N449 PolarHBondContact O-N 2.87Å; I447-N449 VanDerWaalsContact C-N 3.33Å; I447-N449 PolarHBondContact O-N 3.31Å; N449-F452 PolarHBondContact O-N 3.23Å; N449-E453 WeakPolarHBondContact O-CG 3.36Å; N449-E453 PolarHBondContact O-N 3.41Å |
| 450 | T | 84.8 | Confident | 80.4 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 175.7 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | E446 I447 W448 F452 G454 | E446-T450 WeakPolarHBondContact O-CG2 3.33Å; E446-T450 PolarHBondContact O-N 3.26Å; E446-T450 PolarHBondContact O-OG1 3.26Å; I447-T450 PolarHBondContact O-N 3.42Å; I447-T450 PolarHBondContact O-OG1 3.44Å; W448-T450 PolarHBondContact O-N 3.24Å; T450-F452 PolarHBondContact O-N 3.35Å; T450-G454 PolarHBondContact O-N 3.32Å |
| 451 | F | 84.6 | Confident | 82.1 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 173.5 | -85.5 | -76.5 | 0 | 0 | 0 | 112.5 | I447 W448 G454 R455 I458 | I447-F451 HydrophobicContact CG2-CD2 3.72Å; I447-F451 HydrophobicContact CG2-CE2 3.67Å; I447-F451 WeakPolarHBondContact O-CD2 3.37Å; I447-F451 PolarHBondContact O-N 2.87Å; I447-F451 VanDerWaalsContact O-N 3.09Å; W448-F451 PolarHBondContact O-N 3.48Å; F451-G454 CarbonylContact O-C 3.28Å; F451-G454 PolarHBondContact O-N 2.91Å; F451-R455 PolarHBondContact O-N 2.74Å; F451-I458 HydrophobicContact CD1-CD1 3.75Å; F451-I458 HydrophobicContact CE1-CD1 4.45Å |
| 452 | F | 85 | Confident | 83.8 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.4 | -37.7 | -178.9 | -173.7 | -99.8 | 0 | 0 | 0 | 113 | E435 L440 K441 W448 N449 T450 G454 R455 | E435-F452 HydrophobicContact CG-CZ 4.41Å; L440-F452 HydrophobicContact CD2-CD2 4.22Å; L440-F452 HydrophobicContact CD2-CE2 3.91Å; L440-F452 HydrophobicContact CG-CD2 4.34Å; L440-F452 HydrophobicContact CG-CE2 4.29Å; K441-F452 HydrophobicContact CG-CE1 4.46Å; W448-F452 WeakPolarHBondContact O-CB 3.28Å; W448-F452 PolarHBondContact O-N 2.85Å; N449-F452 PolarHBondContact O-N 3.23Å; T450-F452 PolarHBondContact O-N 3.35Å; F452-G454 VanDerWaalsContact C-N 3.27Å; F452-G454 PolarHBondContact O-N 3.03Å; F452-R455 WeakPolarHBondContact O-CB 3.4Å; F452-R455 WeakPolarHBondContact O-CG 3.1Å; F452-R455 PolarHBondContact O-N 3.31Å; F452-R455 PolarHBondContact O-NH1 3Å |
| 453 | E | 83.3 | Confident | 85.5 | Confident | 116 Ų | 116 | 62 Ų | 62 | 54% | 0.542 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 170.5 | -74.3 | -175.2 | -175.4 | 0 | 0 | 111.5 | N449 R455 | N449-E453 WeakPolarHBondContact O-CG 3.36Å; N449-E453 PolarHBondContact O-N 3.41Å; E453-R455 VanDerWaalsContact C-N 3.35Å; E453-R455 PolarHBondContact O-N 2.95Å |
| 454 | G | 85.8 | Confident | 87 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 8.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | T450 F451 F452 Y456 I457 I458 | T450-G454 PolarHBondContact O-N 3.32Å; F451-G454 CarbonylContact O-C 3.28Å; F451-G454 PolarHBondContact O-N 2.91Å; F452-G454 VanDerWaalsContact C-N 3.27Å; F452-G454 PolarHBondContact O-N 3.03Å; G454-Y456 VanDerWaalsContact C-N 3.32Å; G454-Y456 PolarHBondContact O-N 3.08Å; G454-Y456 VanDerWaalsContact O-N 3.14Å; G454-I457 WeakPolarHBondContact O-CA 3.26Å; G454-I457 VanDerWaalsContact O-CB 3.31Å; G454-I457 WeakPolarHBondContact O-CB 3.42Å; G454-I457 PolarHBondContact O-N 2.94Å; G454-I458 PolarHBondContact O-N 3.23Å |
| 455 | R | 90.6 | Very high | 88.7 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.2 | -40.4 | -170.5 | 66.2 | -172.1 | 175.5 | -76 | 2 | 115.2 | M431 V432 E435 F451 F452 E453 I457 L459 | M431-R455 HydrophobicContact CB-CB 4.27Å; V432-R455 HydrophobicContact CG2-CB 4.22Å; V432-R455 HydrophobicContact CG2-CG 4.06Å; E435-R455 IonicContact OE1-NH2 2.81Å; E435-R455 PolarHBondContact OE1-NH2 2.77Å; E435-R455 VanDerWaalsContact OE1-NH2 3.07Å; E435-R455 IonicContact OE2-CZ 2.89Å; E435-R455 IonicContact OE2-NE 2.91Å; E435-R455 PolarHBondContact OE2-NE 3.48Å; E435-R455 IonicContact OE2-NH2 3.35Å; E435-R455 PolarHBondContact OE2-NH2 3.19Å; F451-R455 PolarHBondContact O-N 2.74Å; F452-R455 WeakPolarHBondContact O-CB 3.4Å; F452-R455 WeakPolarHBondContact O-CG 3.1Å; F452-R455 PolarHBondContact O-N 3.31Å; F452-R455 PolarHBondContact O-NH1 3Å; E453-R455 VanDerWaalsContact C-N 3.35Å; E453-R455 PolarHBondContact O-N 2.95Å; R455-I457 VanDerWaalsContact C-N 3.33Å; R455-L459 PolarHBondContact O-N 2.9Å; R455-L459 VanDerWaalsContact O-N 3.1Å |
| 456 | Y | 90.9 | Very high | 89.6 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.5 | -27.7 | 179 | -65.3 | -67.4 | 0 | 0 | 0 | 112.8 | K377 F378 V432 E435 G454 M460 | K377-Y456 HydrophobicContact CB-CE2 4.36Å; K377-Y456 WeakPolarHBondContact O-CD2 3.45Å; K377-Y456 VanDerWaalsContact O-CE2 3.28Å; K377-Y456 WeakPolarHBondContact O-CE2 3.41Å; F378-Y456 AromaticContact CD2-CD1 3.79Å; F378-Y456 HydrophobicContact CD2-CD1 3.79Å; F378-Y456 HydrophobicContact CD2-CD2 4.39Å; F378-Y456 AromaticContact CD2-CG 3.71Å; F378-Y456 HydrophobicContact CD2-CG 3.71Å; F378-Y456 HydrophobicContact CE2-CD1 4.35Å; F378-Y456 HydrophobicContact CE2-CG 4.33Å; V432-Y456 HydrophobicContact CG1-CE1 4.13Å; V432-Y456 HydrophobicContact CG2-CD1 4.25Å; V432-Y456 HydrophobicContact CG2-CE1 4.12Å; E435-Y456 PolarHBondContact OE2-OH 2.94Å; G454-Y456 VanDerWaalsContact C-N 3.32Å; G454-Y456 PolarHBondContact O-N 3.08Å; G454-Y456 VanDerWaalsContact O-N 3.14Å; Y456-M460 WeakPolarHBondContact O-CG 3.24Å; Y456-M460 PolarHBondContact O-N 2.98Å |
| 457 | I | 92.4 | Very high | 90.2 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.7 | -47.6 | 176.7 | -52.4 | 176.9 | 0 | 0 | 0 | 109 | F382 I385 F407 G454 R455 L459 M460 M461 F809 | F382-I457 HydrophobicContact CD1-CD1 4.4Å; F382-I457 HydrophobicContact CD1-CG1 4.14Å; F382-I457 HydrophobicContact CD2-CG1 4.19Å; F382-I457 HydrophobicContact CE1-CB 4.31Å; F382-I457 HydrophobicContact CE1-CG1 3.87Å; F382-I457 HydrophobicContact CE1-CG2 4.01Å; F382-I457 HydrophobicContact CE2-CG1 3.92Å; F382-I457 HydrophobicContact CG-CG1 4.31Å; F382-I457 HydrophobicContact CZ-CB 4.17Å; F382-I457 HydrophobicContact CZ-CG1 3.76Å; F382-I457 HydrophobicContact CZ-CG2 4.27Å; I385-I457 HydrophobicContact CD1-CD1 3.46Å; I385-I457 VanDerWaalsContact CD1-CD1 3.46Å; I385-I457 HydrophobicContact CG1-CD1 4.44Å; F407-I457 HydrophobicContact CD1-CG2 4.09Å; F407-I457 HydrophobicContact CE1-CG2 3.72Å; G454-I457 WeakPolarHBondContact O-CA 3.26Å; G454-I457 VanDerWaalsContact O-CB 3.31Å; G454-I457 WeakPolarHBondContact O-CB 3.42Å; G454-I457 PolarHBondContact O-N 2.94Å; R455-I457 VanDerWaalsContact C-N 3.33Å; I457-L459 VanDerWaalsContact C-N 3.29Å; I457-L459 PolarHBondContact O-N 3.44Å; I457-M460 PolarHBondContact O-N 3.23Å; I457-M461 HydrophobicContact CG2-CE 4.15Å; I457-M461 HydrophobicContact CG2-CG 4.44Å; I457-M461 HydrophobicContact CG2-SD 4.3Å; I457-M461 WeakPolarHBondContact O-CB 3.36Å; I457-M461 VanDerWaalsContact O-CG 3.3Å; I457-M461 WeakPolarHBondContact O-CG 3.45Å; I457-M461 PolarHBondContact O-N 2.8Å; I457-F809 HydrophobicContact CG2-CE2 4.36Å |
| 458 | I | 93 | Very high | 90.6 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 178.4 | -55.2 | 165.7 | 0 | 0 | 0 | 110.7 | M424 A428 M431 F451 G454 M461 G462 | M424-I458 HydrophobicContact CG-CG2 3.71Å; M424-I458 HydrophobicContact SD-CG2 4.34Å; A428-I458 HydrophobicContact CB-CB 4.12Å; A428-I458 HydrophobicContact CB-CG2 3.9Å; M431-I458 HydrophobicContact CE-CD1 3.84Å; F451-I458 HydrophobicContact CD1-CD1 3.75Å; F451-I458 HydrophobicContact CE1-CD1 4.45Å; G454-I458 PolarHBondContact O-N 3.23Å; I458-M461 HydrophobicContact CB-CE 4.29Å; I458-M461 HydrophobicContact CG1-CE 3.96Å; I458-M461 PolarHBondContact O-N 3.09Å; I458-G462 PolarHBondContact O-N 3Å |
| 459 | L | 93.9 | Very high | 91 | Very high | 35 Ų | 35 | 40 Ų | 40 | 18% | 0.183 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 173.9 | -171.7 | 83.1 | 0 | 0 | 0 | 111.5 | A428 L429 R455 I457 M461 G462 L463 | A428-L459 HydrophobicContact CB-CB 3.91Å; A428-L459 HydrophobicContact CB-CD1 4.01Å; L429-L459 HydrophobicContact CB-CD1 4.16Å; R455-L459 PolarHBondContact O-N 2.9Å; R455-L459 VanDerWaalsContact O-N 3.1Å; I457-L459 VanDerWaalsContact C-N 3.29Å; I457-L459 PolarHBondContact O-N 3.44Å; L459-M461 VanDerWaalsContact C-N 3.35Å; L459-M461 PolarHBondContact O-N 2.88Å; L459-G462 PolarHBondContact O-N 3.24Å; L459-L463 HydrophobicContact CG-CD1 4.43Å; L459-L463 WeakPolarHBondContact O-CG 3.5Å; L459-L463 PolarHBondContact O-N 3.41Å |
| 460 | M | 94.5 | Very high | 91.4 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 179.2 | -68.7 | -60.9 | -62.2 | 0 | 0 | 111.6 | F378 F382 P408 Y456 I457 L463 F464 | F378-M460 HydrophobicContact CE2-CG 4.29Å; F378-M460 HydrophobicContact CZ-CG 4.17Å; F378-M460 HydrophobicContact CZ-SD 4.34Å; F382-M460 HydrophobicContact CZ-CG 4.48Å; P408-M460 HydrophobicContact CB-CB 3.91Å; P408-M460 HydrophobicContact CG-CB 3.67Å; Y456-M460 WeakPolarHBondContact O-CG 3.24Å; Y456-M460 PolarHBondContact O-N 2.98Å; I457-M460 PolarHBondContact O-N 3.23Å; M460-L463 PolarHBondContact O-N 3.42Å; M460-F464 HydrophobicContact CE-CD2 4.16Å; M460-F464 HydrophobicContact CE-CE2 3.46Å; M460-F464 VanDerWaalsContact CE-CE2 3.46Å; M460-F464 HydrophobicContact CE-CZ 4.22Å; M460-F464 VanDerWaalsContact O-CD2 3.25Å; M460-F464 WeakPolarHBondContact O-CD2 3.04Å; M460-F464 PolarHBondContact O-N 2.93Å |
| 461 | M | 94.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 176.1 | -75.7 | -169.3 | -54.6 | 0 | 0 | 112 | F407 P408 F411 M424 I457 I458 L459 S465 F809 | F407-M461 HydrophobicContact CE1-SD 3.91Å; P408-M461 HydrophobicContact CB-CG 4.08Å; P408-M461 HydrophobicContact CG-CG 4.45Å; F411-M461 HydrophobicContact CB-CG 4.28Å; F411-M461 HydrophobicContact CB-SD 4.19Å; F411-M461 HydrophobicContact CD1-CB 3.55Å; F411-M461 HydrophobicContact CD1-CG 3.61Å; F411-M461 HydrophobicContact CD1-SD 3.74Å; F411-M461 HydrophobicContact CD2-SD 3.84Å; F411-M461 HydrophobicContact CE1-CB 3.72Å; F411-M461 HydrophobicContact CE1-CG 4.16Å; F411-M461 HydrophobicContact CE1-SD 4.08Å; F411-M461 HydrophobicContact CE2-SD 4.15Å; F411-M461 HydrophobicContact CG-CB 4.37Å; F411-M461 HydrophobicContact CG-CG 3.93Å; F411-M461 HydrophobicContact CG-SD 3.62Å; F411-M461 HydrophobicContact CZ-SD 4.27Å; M424-M461 HydrophobicContact SD-CB 4.21Å; I457-M461 HydrophobicContact CG2-CE 4.15Å; I457-M461 HydrophobicContact CG2-CG 4.44Å; I457-M461 HydrophobicContact CG2-SD 4.3Å; I457-M461 WeakPolarHBondContact O-CB 3.36Å; I457-M461 VanDerWaalsContact O-CG 3.3Å; I457-M461 WeakPolarHBondContact O-CG 3.45Å; I457-M461 PolarHBondContact O-N 2.8Å; I458-M461 HydrophobicContact CB-CE 4.29Å; I458-M461 HydrophobicContact CG1-CE 3.96Å; I458-M461 PolarHBondContact O-N 3.09Å; L459-M461 VanDerWaalsContact C-N 3.35Å; L459-M461 PolarHBondContact O-N 2.88Å; M461-S465 WeakPolarHBondContact O-CB 3.42Å; M461-S465 PolarHBondContact O-N 2.75Å; M461-F809 HydrophobicContact CE-CD2 3.88Å; M461-F809 HydrophobicContact CE-CE2 4.3Å; M461-F809 HydrophobicContact SD-CD2 3.71Å; M461-F809 HydrophobicContact SD-CE2 4.32Å |
| 462 | G | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I458 L459 S465 I466 | I458-G462 PolarHBondContact O-N 3Å; L459-G462 PolarHBondContact O-N 3.24Å; G462-S465 PolarHBondContact O-N 3.49Å; G462-I466 WeakPolarHBondContact O-CG1 3.38Å; G462-I466 PolarHBondContact O-N 3.45Å |
| 463 | L | 95.1 | Very high | 92.3 | Very high | 86 Ų | 86 | 33.2 Ų | 33.2 | 45% | 0.45 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 178.7 | -69.9 | 175.7 | 0 | 0 | 0 | 112.8 | L459 M460 I466 Y467 | L459-L463 HydrophobicContact CG-CD1 4.43Å; L459-L463 WeakPolarHBondContact O-CG 3.5Å; L459-L463 PolarHBondContact O-N 3.41Å; M460-L463 PolarHBondContact O-N 3.42Å; L463-I466 PolarHBondContact O-N 3.45Å; L463-Y467 PolarHBondContact O-N 2.91Å |
| 464 | F | 95.6 | Very high | 92.6 | Very high | 43 Ų | 43 | 28.6 Ų | 28.6 | 19% | 0.189 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.8 | -34.2 | 175.4 | -79.6 | -67.3 | 0 | 0 | 0 | 112.1 | I405 P408 F409 A412 M460 I466 Y467 T468 | I405-F464 HydrophobicContact CG2-CZ 4.13Å; P408-F464 HydrophobicContact CB-CD2 3.46Å; P408-F464 VanDerWaalsContact CB-CD2 3.46Å; P408-F464 HydrophobicContact CB-CE2 3.99Å; P408-F464 HydrophobicContact CB-CG 4.4Å; F409-F464 HydrophobicContact CD2-CD1 4.36Å; A412-F464 HydrophobicContact CB-CB 3.58Å; A412-F464 WeakPolarHBondContact CB-O 3.48Å; M460-F464 HydrophobicContact CE-CD2 4.16Å; M460-F464 HydrophobicContact CE-CE2 3.46Å; M460-F464 VanDerWaalsContact CE-CE2 3.46Å; M460-F464 HydrophobicContact CE-CZ 4.22Å; M460-F464 VanDerWaalsContact O-CD2 3.25Å; M460-F464 WeakPolarHBondContact O-CD2 3.04Å; M460-F464 PolarHBondContact O-N 2.93Å; F464-I466 VanDerWaalsContact C-N 3.33Å; F464-Y467 WeakPolarHBondContact O-CB 3.48Å; F464-Y467 PolarHBondContact O-N 3.28Å; F464-Y467 VanDerWaalsContact O-N 3.14Å; F464-T468 PolarHBondContact O-N 3.33Å; F464-T468 PolarHBondContact O-OG1 3.23Å |
| 465 | S | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 174.3 | 177.2 | 0 | 0 | 0 | 0 | 112 | F415 D417 M461 G462 T468 G469 | F415-S465 WeakPolarHBondContact O-CB 3.48Å; F415-S465 PolarHBondContact O-OG 3Å; D417-S465 PolarHBondContact O-OG 2.95Å; M461-S465 WeakPolarHBondContact O-CB 3.42Å; M461-S465 PolarHBondContact O-N 2.75Å; G462-S465 PolarHBondContact O-N 3.49Å; S465-T468 PolarHBondContact O-OG1 2.96Å; S465-G469 WeakPolarHBondContact O-CA 3.32Å; S465-G469 PolarHBondContact O-N 3Å |
| 466 | I | 95.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 30.9 Ų | 30.9 | 20% | 0.2 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 170.1 | -70.4 | 167 | 0 | 0 | 0 | 110.3 | L418 I422 G462 L463 F464 G469 L470 | L418-I466 HydrophobicContact CD1-CB 4.27Å; L418-I466 HydrophobicContact CD1-CG1 4.37Å; L418-I466 HydrophobicContact CD1-CG2 3.69Å; I422-I466 HydrophobicContact CG1-CD1 3.94Å; I422-I466 HydrophobicContact CG1-CG1 4.02Å; G462-I466 WeakPolarHBondContact O-CG1 3.38Å; G462-I466 PolarHBondContact O-N 3.45Å; L463-I466 PolarHBondContact O-N 3.45Å; F464-I466 VanDerWaalsContact C-N 3.33Å; I466-G469 PolarHBondContact O-N 2.96Å; I466-L470 HydrophobicContact CG2-CD1 4.38Å; I466-L470 VanDerWaalsContact O-CG 3.32Å; I466-L470 WeakPolarHBondContact O-CG 3.38Å; I466-L470 PolarHBondContact O-N 2.94Å |
| 467 | Y | 94.4 | Very high | 92.5 | Very high | 117 Ų | 117 | 29.1 Ų | 29.1 | 46% | 0.459 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.8 | -47.3 | 179.5 | 171.7 | -103.1 | 0 | 0 | 0 | 112.5 | L463 F464 L470 I471 | L463-Y467 PolarHBondContact O-N 2.91Å; F464-Y467 WeakPolarHBondContact O-CB 3.48Å; F464-Y467 PolarHBondContact O-N 3.28Å; F464-Y467 VanDerWaalsContact O-N 3.14Å; Y467-L470 PolarHBondContact O-N 3.01Å; Y467-I471 HydrophobicContact CD1-CD1 4.03Å; Y467-I471 HydrophobicContact CE1-CD1 3.43Å; Y467-I471 VanDerWaalsContact CE1-CD1 3.43Å; Y467-I471 HydrophobicContact CE2-CD1 4.12Å; Y467-I471 VanDerWaalsContact CZ-CD1 3.49Å; Y467-I471 WeakPolarHBondContact O-CG1 3.44Å; Y467-I471 PolarHBondContact O-N 2.75Å |
| 468 | T | 92.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.5 | -34.6 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | A412 V413 F464 S465 L470 I471 Y472 | A412-T468 HydrophobicContact CB-CG2 3.66Å; A412-T468 WeakPolarHBondContact O-CB 3.44Å; A412-T468 PolarHBondContact O-OG1 3.09Å; V413-T468 HydrophobicContact CG2-CG2 4.36Å; F464-T468 PolarHBondContact O-N 3.33Å; F464-T468 PolarHBondContact O-OG1 3.23Å; S465-T468 PolarHBondContact O-OG1 2.96Å; T468-L470 VanDerWaalsContact C-N 3.3Å; T468-L470 PolarHBondContact O-N 2.99Å; T468-I471 WeakPolarHBondContact O-CB 3.19Å; T468-I471 PolarHBondContact O-N 3.06Å; T468-I471 VanDerWaalsContact O-N 3.11Å; T468-Y472 PolarHBondContact O-N 3.49Å |
| 469 | G | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -38.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S465 I466 Y472 N473 D474 | S465-G469 WeakPolarHBondContact O-CA 3.32Å; S465-G469 PolarHBondContact O-N 3Å; I466-G469 PolarHBondContact O-N 2.96Å; G469-Y472 PolarHBondContact O-N 3.16Å; G469-N473 WeakPolarHBondContact O-CA 3.32Å; G469-N473 PolarHBondContact O-N 2.94Å; G469-D474 PolarHBondContact O-N 3.25Å |
| 470 | L | 91.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 28% | 0.283 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.2 | -36.7 | 171.5 | -71.2 | 173 | 0 | 0 | 0 | 113 | L418 I466 Y467 T468 N473 F525 | L418-L470 HydrophobicContact CD1-CD2 4.06Å; L418-L470 HydrophobicContact CD1-CG 4.02Å; L418-L470 HydrophobicContact CD2-CD2 3.82Å; L418-L470 HydrophobicContact CG-CD2 4.5Å; I466-L470 HydrophobicContact CG2-CD1 4.38Å; I466-L470 VanDerWaalsContact O-CG 3.32Å; I466-L470 WeakPolarHBondContact O-CG 3.38Å; I466-L470 PolarHBondContact O-N 2.94Å; Y467-L470 PolarHBondContact O-N 3.01Å; T468-L470 VanDerWaalsContact C-N 3.3Å; T468-L470 PolarHBondContact O-N 2.99Å; L470-N473 PolarHBondContact O-N 3.41Å; L470-F525 HydrophobicContact CB-CE1 3.84Å; L470-F525 HydrophobicContact CB-CZ 4.26Å |
| 471 | I | 92.4 | Very high | 91.2 | Very high | 32 Ų | 32 | 38.8 Ų | 38.8 | 16% | 0.164 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 174.8 | -69.6 | 172.1 | 0 | 0 | 0 | 111 | Y467 T468 N473 F525 G526 I527 | Y467-I471 HydrophobicContact CD1-CD1 4.03Å; Y467-I471 HydrophobicContact CE1-CD1 3.43Å; Y467-I471 VanDerWaalsContact CE1-CD1 3.43Å; Y467-I471 HydrophobicContact CE2-CD1 4.12Å; Y467-I471 VanDerWaalsContact CZ-CD1 3.49Å; Y467-I471 WeakPolarHBondContact O-CG1 3.44Å; Y467-I471 PolarHBondContact O-N 2.75Å; T468-I471 WeakPolarHBondContact O-CB 3.19Å; T468-I471 PolarHBondContact O-N 3.06Å; T468-I471 VanDerWaalsContact O-N 3.11Å; I471-N473 PolarHBondContact O-N 3.49Å; I471-F525 HydrophobicContact CG1-CE2 4.45Å; I471-F525 HydrophobicContact CG1-CZ 4.32Å; I471-G526 CarbonylContact O-C 3.59Å; I471-G526 WeakPolarHBondContact O-CA 3.47Å; I471-I527 PolarHBondContact O-N 3.39Å |
| 472 | Y | 91 | Very high | 90.7 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.6 | -19.7 | 175.4 | -66.5 | -21.6 | 0 | 0 | 0 | 112.6 | V413 T468 G469 D474 I527 Y544 M548 S755 | V413-Y472 PolarHBondContact O-OH 3.07Å; V413-Y472 VanDerWaalsContact O-OH 3.06Å; T468-Y472 PolarHBondContact O-N 3.49Å; G469-Y472 PolarHBondContact O-N 3.16Å; Y472-D474 VanDerWaalsContact C-N 3.3Å; Y472-I527 HydrophobicContact CD1-CD1 4.34Å; Y472-Y544 HydrophobicContact CE1-CE1 4.33Å; Y472-M548 HydrophobicContact CE1-CE 4.48Å; Y472-M548 HydrophobicContact CE1-SD 4.14Å; Y472-S755 WeakPolarHBondContact CE2-OG 3.44Å |
| 473 | N | 90.4 | Very high | 90.1 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 44 | -175.8 | -164.5 | 10.7 | 0 | 0 | 0 | 111.8 | G469 L470 I471 S479 L480 I527 P529 | G469-N473 WeakPolarHBondContact O-CA 3.32Å; G469-N473 PolarHBondContact O-N 2.94Å; L470-N473 PolarHBondContact O-N 3.41Å; I471-N473 PolarHBondContact O-N 3.49Å; N473-S479 VanDerWaalsContact O-CA 3.27Å; N473-S479 WeakPolarHBondContact O-CA 3.39Å; N473-S479 WeakPolarHBondContact O-CB 3.33Å; N473-L480 PolarHBondContact ND2-O 2.91Å; N473-L480 WeakPolarHBondContact OD1-CB 3.44Å; N473-L480 PolarHBondContact OD1-N 3.29Å; N473-L480 PolarHBondContact OD1-O 3.14Å; N473-I527 WeakPolarHBondContact CB-O 3.31Å; N473-I527 PolarHBondContact ND2-O 3.14Å; N473-P529 WeakPolarHBondContact ND2-CG 3.36Å |
| 474 | D | 89.3 | Confident | 89.4 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | trans | -120.8 | 124.6 | 177.6 | -77.9 | -30.3 | 0 | 0 | 0 | 109.7 | L418 G469 Y472 K478 | L418-D474 WeakPolarHBondContact CB-O 3.27Å; L418-D474 PolarHBondContact N-O 3.22Å; G469-D474 PolarHBondContact O-N 3.25Å; Y472-D474 VanDerWaalsContact C-N 3.3Å; D474-K478 CarbonylContact C-O 3.57Å | ||
| 475 | C | 90.8 | Very high | 88.8 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -132.8 | 105.7 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | D417 L418 S477 K478 L480 | D417-C475 WeakPolarHBondContact OD1-CA 3.5Å; L418-C475 HydrophobicContact CB-CB 4.19Å; L418-C475 HydrophobicContact CD2-CB 4.25Å; C475-S477 VanDerWaalsContact C-N 3.25Å; C475-S477 PolarHBondContact O-N 2.99Å; C475-K478 PolarHBondContact N-O 3.44Å; C475-K478 PolarHBondContact O-N 3.04Å; C475-L480 HydrophobicContact CB-CG 4.47Å |
| 476 | F | 87.7 | Confident | 88.2 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 24% | 0.237 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 47.2 | -173.1 | -61.2 | -68.2 | 0 | 0 | 0 | 112.6 | D417 H420 I423 K478 W766 F792 | D417-F476 PolarHBondContact OD1-N 3.07Å; D417-F476 PolarHBondContact OD2-N 3.32Å; H420-F476 AromaticContact CD2-CD1 3.97Å; H420-F476 AromaticContact CD2-CE1 3.59Å; H420-F476 AromaticContact NE2-CD1 3.72Å; H420-F476 AromaticContact NE2-CE1 3.78Å; I423-F476 HydrophobicContact CD1-CE1 4.2Å; I423-F476 HydrophobicContact CD1-CZ 3.85Å; F476-K478 VanDerWaalsContact C-N 3.26Å; F476-K478 PolarHBondContact O-N 2.96Å; F476-W766 HydrophobicContact CB-CE3 4.35Å; F476-W766 HydrophobicContact CB-CZ3 4.37Å; F476-F792 HydrophobicContact CD1-CZ 4.46Å |
| 477 | S | 85.8 | Confident | 87.7 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 2.6 | -173.8 | 80.3 | 0 | 0 | 0 | 0 | 117.5 | C475 N532 W766 | C475-S477 VanDerWaalsContact C-N 3.25Å; C475-S477 PolarHBondContact O-N 2.99Å; S477-N532 PolarHBondContact O-ND2 3.18Å; S477-W766 WeakPolarHBondContact OG-CB 3.45Å |
| 478 | K | 88.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 42.6 Ų | 42.6 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -107.4 | 149.4 | 178 | -62.6 | -57 | -179.5 | -168.2 | 0 | 112.4 | D474 C475 F476 N532 W766 | D474-K478 CarbonylContact C-O 3.57Å; C475-K478 PolarHBondContact N-O 3.44Å; C475-K478 PolarHBondContact O-N 3.04Å; F476-K478 VanDerWaalsContact C-N 3.26Å; F476-K478 PolarHBondContact O-N 2.96Å; K478-N532 WeakPolarHBondContact CA-ND2 3.43Å; K478-W766 HydrophobicContact CG-CZ2 4.45Å |
| 479 | S | 87.6 | Confident | 86.5 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | trans | -98.6 | 146.8 | -178.6 | 53.7 | 0 | 0 | 0 | 0 | 111.1 | N473 P529 N532 | N473-S479 VanDerWaalsContact O-CA 3.27Å; N473-S479 WeakPolarHBondContact O-CA 3.39Å; N473-S479 WeakPolarHBondContact O-CB 3.33Å; S479-P529 PolarHBondContact OG-O 3.22Å; S479-N532 PolarHBondContact N-ND2 3.1Å; S479-N532 VanDerWaalsContact OG-CB 3.23Å; S479-N532 WeakPolarHBondContact OG-CB 3.31Å; S479-N532 PolarHBondContact OG-ND2 3.07Å | ||
| 480 | L | 84.7 | Confident | 85.9 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | trans | -100.5 | 122.6 | 179.8 | -60.2 | 175.6 | 0 | 0 | 0 | 109.8 | L418 N473 C475 I482 P529 | L418-L480 HydrophobicContact CD2-CD1 3.59Å; N473-L480 PolarHBondContact ND2-O 2.91Å; N473-L480 WeakPolarHBondContact OD1-CB 3.44Å; N473-L480 PolarHBondContact OD1-N 3.29Å; N473-L480 PolarHBondContact OD1-O 3.14Å; C475-L480 HydrophobicContact CB-CG 4.47Å; L480-I482 HydrophobicContact CB-CD1 4.22Å; L480-I482 HydrophobicContact CB-CG1 4.08Å; L480-I482 PolarHBondContact O-N 3.19Å; L480-P529 WeakPolarHBondContact O-CG 3.18Å | ||
| 481 | N | 86.4 | Confident | 85.1 | Confident | 116 Ų | 116 | 47.1 Ų | 47.1 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | trans | -91 | 83.7 | 176.3 | -173.9 | 18 | 0 | 0 | 0 | 110.9 | G484 P529 | N481-G484 VanDerWaalsContact OD1-CA 3.27Å; N481-G484 WeakPolarHBondContact OD1-CA 3.42Å; N481-G484 PolarHBondContact OD1-N 3.42Å; N481-P529 HydrophobicContact CB-CG 4.38Å | ||
| 482 | I | 83.3 | Confident | 84.3 | Confident | 102 Ų | 102 | 45.6 Ų | 45.6 | 52% | 0.523 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -91.3 | -47.3 | -175.2 | -57.8 | 171.5 | 0 | 0 | 0 | 111.9 | L480 Y523 | L480-I482 HydrophobicContact CB-CD1 4.22Å; L480-I482 HydrophobicContact CB-CG1 4.08Å; L480-I482 PolarHBondContact O-N 3.19Å; I482-Y523 PolarHBondContact N-OH 2.81Å |
| 483 | F | 81.6 | Confident | 83.6 | Confident | 120 Ų | 120 | 49.1 Ų | 49.1 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -105.6 | 2.1 | -172.5 | -62.7 | -74.7 | 0 | 0 | 0 | 114.4 | Y523 P524 F525 | F483-Y523 HydrophobicContact CB-CE2 3.69Å; F483-Y523 HydrophobicContact CD2-CE1 4.33Å; F483-Y523 HydrophobicContact CD2-CE2 4.48Å; F483-Y523 AromaticContact CD2-CZ 3.89Å; F483-Y523 PolarHBondContact N-OH 3.34Å; F483-P524 HydrophobicContact CB-CG 4.27Å; F483-P524 HydrophobicContact CG-CG 4.47Å; F483-F525 HydrophobicContact CE2-CB 4.03Å |
| 484 | G | 80.4 | Confident | 82.9 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | trans | 79.4 | 143.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N481 Y523 | N481-G484 VanDerWaalsContact OD1-CA 3.27Å; N481-G484 WeakPolarHBondContact OD1-CA 3.42Å; N481-G484 PolarHBondContact OD1-N 3.42Å; G484-Y523 WeakPolarHBondContact O-CD2 3.25Å; G484-Y523 VanDerWaalsContact O-CE2 3.25Å; G484-Y523 WeakPolarHBondContact O-CE2 3.37Å | ||
| 485 | S | 83.8 | Confident | 82.1 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | trans | -64.8 | 136.8 | -180 | 155.6 | 0 | 0 | 0 | 0 | 111.9 | W487 | S485-W487 PolarHBondContact O-N 3.36Å; S485-W487 WeakPolarHBondContact OG-CA 3.47Å; S485-W487 WeakPolarHBondContact OG-CB 3.25Å; S485-W487 PolarHBondContact OG-N 3.47Å; S485-W487 PolarHBondContact OG-O 3.28Å | ||
| 486 | G | 81.7 | Confident | 81.3 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 12% | 0.124 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -71.3 | -14.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K520 D528 | G486-K520 PolarHBondContact O-N 3.15Å; G486-D528 PolarHBondContact N-OD2 2.93Å |
| 487 | W | 84.7 | Confident | 80.6 | Confident | 44 Ų | 44 | 64 Ų | 64 | 17% | 0.167 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 135.3 | 174.6 | -64.5 | 82.9 | 0 | 0 | 0 | 111.7 | S485 L511 P513 V518 F519 D528 I530 W531 | S485-W487 PolarHBondContact O-N 3.36Å; S485-W487 WeakPolarHBondContact OG-CA 3.47Å; S485-W487 WeakPolarHBondContact OG-CB 3.25Å; S485-W487 PolarHBondContact OG-N 3.47Å; S485-W487 PolarHBondContact OG-O 3.28Å; W487-L511 HydrophobicContact CE3-CB 4.36Å; W487-L511 HydrophobicContact CE3-CD1 4.36Å; W487-L511 HydrophobicContact CZ3-CB 4.26Å; W487-P513 HydrophobicContact CH2-CB 3.94Å; W487-P513 HydrophobicContact CZ3-CB 4.18Å; W487-V518 CarbonylContact C-O 3Å; W487-V518 WeakPolarHBondContact CA-O 3.49Å; W487-V518 HydrophobicContact CE3-CG1 3.93Å; W487-V518 HydrophobicContact CZ3-CG1 4.06Å; W487-F519 HydrophobicContact CD2-CD2 4.18Å; W487-F519 AromaticContact CE2-CD2 3.78Å; W487-F519 HydrophobicContact CH2-CD2 4.4Å; W487-F519 AromaticContact CZ2-CD2 3.91Å; W487-F519 HydrophobicContact CZ2-CD2 3.91Å; W487-F519 HydrophobicContact CZ2-CE2 4.41Å; W487-F519 HydrophobicContact CZ3-CB 4.48Å; W487-D528 VanDerWaalsContact CD1-OD2 3.26Å; W487-I530 HydrophobicContact CB-CG2 4.35Å; W487-I530 VanDerWaalsContact CD1-CG2 3.48Å; W487-I530 HydrophobicContact CG-CG2 4.01Å; W487-W531 HydrophobicContact CZ2-CZ2 4.32Å |
| 488 | S | 81.7 | Confident | 80.2 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | trans | -123.9 | 113.2 | 175.6 | 95.3 | 0 | 0 | 0 | 0 | 112.1 | G517 V518 K520 | S488-G517 PolarHBondContact OG-O 3.06Å; S488-V518 PolarHBondContact N-O 3.36Å; S488-K520 WeakPolarHBondContact OG-CE 3.35Å | ||
| 489 | V | 80.8 | Confident | 79.8 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -39.5 | 175.9 | 176.1 | 0 | 0 | 0 | 0 | 113.2 | A491 M492 F493 W498 L511 | V489-A491 PolarHBondContact O-N 2.87Å; V489-M492 PolarHBondContact O-N 3.21Å; V489-M492 VanDerWaalsContact O-N 3.08Å; V489-F493 HydrophobicContact CG1-CE2 4.12Å; V489-W498 HydrophobicContact CG1-CZ3 3.73Å; V489-L511 HydrophobicContact CG2-CD2 4.45Å |
| 490 | P | 79.4 | Confident | 79.2 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -23 | -177.6 | -25.8 | 35.8 | 0 | 0 | 0 | 114.6 | M492 F493 K494 | P490-M492 VanDerWaalsContact C-N 3.29Å; P490-M492 PolarHBondContact O-N 2.9Å; P490-F493 PolarHBondContact O-N 3.03Å; P490-K494 WeakPolarHBondContact O-CG 3.48Å; P490-K494 PolarHBondContact O-N 3.18Å |
| 491 | A | 75.6 | Confident | 78.8 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.9 | -30.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V489 K494 A495 V518 | V489-A491 PolarHBondContact O-N 2.87Å; A491-K494 PolarHBondContact O-N 3.17Å; A491-A495 WeakPolarHBondContact O-CB 3.44Å; A491-A495 PolarHBondContact O-N 3.5Å; A491-V518 HydrophobicContact CB-CG2 3.88Å |
| 492 | M | 76.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 177.3 | -71.4 | -67.4 | -82 | 0 | 0 | 112.5 | V489 P490 A495 V497 W498 L511 D512 V515 V518 | V489-M492 PolarHBondContact O-N 3.21Å; V489-M492 VanDerWaalsContact O-N 3.08Å; P490-M492 VanDerWaalsContact C-N 3.29Å; P490-M492 PolarHBondContact O-N 2.9Å; M492-A495 PolarHBondContact O-N 3.33Å; M492-V497 HydrophobicContact CE-CB 4.16Å; M492-V497 HydrophobicContact CE-CG1 3.74Å; M492-V497 PolarHBondContact O-N 3.24Å; M492-W498 HydrophobicContact CB-CD2 3.63Å; M492-W498 HydrophobicContact CB-CE3 3.59Å; M492-W498 HydrophobicContact CB-CG 4.15Å; M492-W498 HydrophobicContact CB-CH2 4.47Å; M492-W498 HydrophobicContact CB-CZ2 4.45Å; M492-W498 HydrophobicContact CB-CZ3 4.06Å; M492-W498 HydrophobicContact CE-CD2 4.11Å; M492-W498 VanDerWaalsContact CE-CE2 3.41Å; M492-W498 HydrophobicContact CE-CG 4.36Å; M492-W498 HydrophobicContact CE-CZ2 3.78Å; M492-W498 HydrophobicContact CG-CD2 4.2Å; M492-W498 HydrophobicContact CG-CE3 4.26Å; M492-W498 HydrophobicContact CG-CH2 4.27Å; M492-W498 HydrophobicContact CG-CZ2 4.14Å; M492-W498 HydrophobicContact CG-CZ3 4.33Å; M492-L511 HydrophobicContact CG-CD2 3.76Å; M492-D512 HydrophobicContact CE-CB 4.45Å; M492-V515 HydrophobicContact SD-CB 4.34Å; M492-V515 HydrophobicContact SD-CG1 4.48Å; M492-V515 HydrophobicContact SD-CG2 4.27Å; M492-V518 HydrophobicContact CG-CG2 3.8Å; M492-V518 HydrophobicContact SD-CG2 3.59Å; M492-V518 VanDerWaalsContact SD-CG2 3.59Å |
| 493 | F | 75.8 | Confident | 77.8 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.6 | -37.1 | 174.7 | -69.4 | -73.5 | 0 | 0 | 0 | 111.8 | V489 P490 A495 N496 W498 | V489-F493 HydrophobicContact CG1-CE2 4.12Å; P490-F493 PolarHBondContact O-N 3.03Å; F493-A495 VanDerWaalsContact C-N 3.3Å; F493-A495 PolarHBondContact O-N 3.5Å; F493-N496 PolarHBondContact O-N 3.25Å; F493-W498 HydrophobicContact CD1-CB 4.11Å; F493-W498 HydrophobicContact CD2-CE3 4.35Å; F493-W498 HydrophobicContact CE1-CB 3.99Å; F493-W498 HydrophobicContact CE1-CE3 4.42Å; F493-W498 AromaticContact CE2-CE3 3.85Å; F493-W498 HydrophobicContact CE2-CE3 3.85Å; F493-W498 HydrophobicContact CE2-CZ3 4.3Å; F493-W498 AromaticContact CZ-CE3 3.89Å; F493-W498 HydrophobicContact CZ-CE3 3.89Å |
| 494 | K | 76 | Confident | 77.5 | Confident | 181 Ų | 181 | 74.5 Ų | 74.5 | 79% | 0.787 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.5 | -30.4 | 175.9 | -71.7 | -178.5 | 179.2 | -174 | 0 | 113 | P490 A491 N496 | P490-K494 WeakPolarHBondContact O-CG 3.48Å; P490-K494 PolarHBondContact O-N 3.18Å; A491-K494 PolarHBondContact O-N 3.17Å; K494-N496 VanDerWaalsContact C-N 3.26Å; K494-N496 PolarHBondContact O-N 3.09Å |
| 495 | A | 73 | Confident | 77.3 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 3.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A491 M492 F493 V497 V515 | A491-A495 WeakPolarHBondContact O-CB 3.44Å; A491-A495 PolarHBondContact O-N 3.5Å; M492-A495 PolarHBondContact O-N 3.33Å; F493-A495 VanDerWaalsContact C-N 3.3Å; F493-A495 PolarHBondContact O-N 3.5Å; A495-V497 HydrophobicContact CB-CG2 4.02Å; A495-V497 PolarHBondContact O-N 2.89Å; A495-V497 VanDerWaalsContact O-N 3.08Å; A495-V515 HydrophobicContact CB-CG1 3.52Å |
| 496 | N | 72.8 | Confident | 77.1 | Confident | 138 Ų | 138 | 78.1 Ų | 78.1 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 20.2 | -175.7 | -73.4 | -25.2 | 0 | 0 | 0 | 115 | F493 K494 | F493-N496 PolarHBondContact O-N 3.25Å; K494-N496 VanDerWaalsContact C-N 3.26Å; K494-N496 PolarHBondContact O-N 3.09Å |
| 497 | V | 72.2 | Confident | 76.7 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 39% | 0.394 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -76.8 | -31.9 | 176.6 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | M492 A495 V515 | M492-V497 HydrophobicContact CE-CB 4.16Å; M492-V497 HydrophobicContact CE-CG1 3.74Å; M492-V497 PolarHBondContact O-N 3.24Å; A495-V497 HydrophobicContact CB-CG2 4.02Å; A495-V497 PolarHBondContact O-N 2.89Å; A495-V497 VanDerWaalsContact O-N 3.08Å; V497-V515 HydrophobicContact CG2-CG2 4.29Å |
| 498 | W | 79.1 | Confident | 76.4 | Confident | 32 Ų | 32 | 90.6 Ų | 90.6 | 12% | 0.121 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -110.5 | 122.6 | 174.3 | -66.6 | -13.2 | 0 | 0 | 0 | 110.5 | V489 M492 F493 L509 T510 L511 | V489-W498 HydrophobicContact CG1-CZ3 3.73Å; M492-W498 HydrophobicContact CB-CD2 3.63Å; M492-W498 HydrophobicContact CB-CE3 3.59Å; M492-W498 HydrophobicContact CB-CG 4.15Å; M492-W498 HydrophobicContact CB-CH2 4.47Å; M492-W498 HydrophobicContact CB-CZ2 4.45Å; M492-W498 HydrophobicContact CB-CZ3 4.06Å; M492-W498 HydrophobicContact CE-CD2 4.11Å; M492-W498 VanDerWaalsContact CE-CE2 3.41Å; M492-W498 HydrophobicContact CE-CG 4.36Å; M492-W498 HydrophobicContact CE-CZ2 3.78Å; M492-W498 HydrophobicContact CG-CD2 4.2Å; M492-W498 HydrophobicContact CG-CE3 4.26Å; M492-W498 HydrophobicContact CG-CH2 4.27Å; M492-W498 HydrophobicContact CG-CZ2 4.14Å; M492-W498 HydrophobicContact CG-CZ3 4.33Å; F493-W498 HydrophobicContact CD1-CB 4.11Å; F493-W498 HydrophobicContact CD2-CE3 4.35Å; F493-W498 HydrophobicContact CE1-CB 3.99Å; F493-W498 HydrophobicContact CE1-CE3 4.42Å; F493-W498 AromaticContact CE2-CE3 3.85Å; F493-W498 HydrophobicContact CE2-CE3 3.85Å; F493-W498 HydrophobicContact CE2-CZ3 4.3Å; F493-W498 AromaticContact CZ-CE3 3.89Å; F493-W498 HydrophobicContact CZ-CE3 3.89Å; W498-L509 HydrophobicContact CH2-CB 4.28Å; W498-L509 HydrophobicContact CZ2-CB 3.92Å; W498-T510 WeakPolarHBondContact CZ2-O 3.31Å; W498-L511 HydrophobicContact CH2-CD2 3.24Å; W498-L511 HydrophobicContact CH2-CG 4.01Å; W498-L511 HydrophobicContact CZ2-CD2 3.65Å; W498-L511 HydrophobicContact CZ2-CG 4.25Å; W498-L511 HydrophobicContact CZ3-CD2 4.1Å |
| 499 | T | 78.5 | Confident | 76.4 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | trans | -95.9 | 154.1 | 167.3 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | K501 D502 L503 | T499-K501 PolarHBondContact O-N 3.38Å; T499-D502 PolarHBondContact N-OD2 3.5Å; T499-D502 PolarHBondContact O-N 2.96Å; T499-D502 VanDerWaalsContact OG1-CG 3.28Å; T499-D502 PolarHBondContact OG1-OD2 3.37Å; T499-L503 PolarHBondContact O-N 3.41Å | ||
| 500 | P | 76.1 | Confident | 76.5 | Confident | 88 Ų | 88 | 95 Ų | 95 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -9.8 | 176.1 | 25.6 | -35.3 | 0 | 0 | 0 | 113.7 | ||
| 501 | K | 75.8 | Confident | 76.6 | Confident | 172 Ų | 172 | 93.6 Ų | 93.6 | 75% | 0.748 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -39.8 | 171.2 | -64.7 | -178.5 | -179.2 | 178 | 0 | 111.7 | T499 L503 R504 G505 | T499-K501 PolarHBondContact O-N 3.38Å; K501-L503 VanDerWaalsContact C-N 3.29Å; K501-L503 PolarHBondContact O-N 3Å; K501-R504 PolarHBondContact O-N 3.18Å; K501-R504 VanDerWaalsContact O-N 3.16Å; K501-G505 PolarHBondContact O-N 3.15Å |
| 502 | D | 73.1 | Confident | 76.8 | Confident | 62 Ų | 62 | 96.5 Ų | 96.5 | 33% | 0.332 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -33.5 | 178.6 | -53.5 | -41.9 | 0 | 0 | 0 | 111.8 | T499 R504 G505 N506 | T499-D502 PolarHBondContact N-OD2 3.5Å; T499-D502 PolarHBondContact O-N 2.96Å; T499-D502 VanDerWaalsContact OG1-CG 3.28Å; T499-D502 PolarHBondContact OG1-OD2 3.37Å; D502-R504 PolarHBondContact O-N 3.37Å; D502-G505 PolarHBondContact O-N 2.95Å; D502-N506 PolarHBondContact O-N 3.23Å |
| 503 | L | 76.3 | Confident | 76.9 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -29.8 | 175.3 | -172.6 | 67.3 | 0 | 0 | 0 | 113 | T499 K501 L509 | T499-L503 PolarHBondContact O-N 3.41Å; K501-L503 VanDerWaalsContact C-N 3.29Å; K501-L503 PolarHBondContact O-N 3Å; L503-L509 HydrophobicContact CD1-CD1 3.96Å |
| 504 | R | 75.1 | Confident | 77.1 | Confident | 227 Ų | 227 | 100.5 Ų | 100.5 | 86% | 0.857 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -87 | -24.3 | 179.2 | -62.4 | -177.1 | -164.4 | -172.9 | 2 | 112.6 | K501 D502 | K501-R504 PolarHBondContact O-N 3.18Å; K501-R504 VanDerWaalsContact O-N 3.16Å; D502-R504 PolarHBondContact O-N 3.37Å |
| 505 | G | 75.6 | Confident | 77.3 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -92.4 | -34.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K501 D502 | K501-G505 PolarHBondContact O-N 3.15Å; D502-G505 PolarHBondContact O-N 2.95Å |
| 506 | N | 79.1 | Confident | 77.3 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | trans | -109.2 | 126.4 | -171.5 | -69.7 | -16.9 | 0 | 0 | 0 | 112.6 | D502 L509 | D502-N506 PolarHBondContact O-N 3.23Å; N506-L509 HydrophobicContact CB-CD2 4.31Å | ||
| 507 | H | 74.2 | Confident | 77.3 | Confident | 172 Ų | 172 | 92.4 Ų | 92.4 | 80% | 0.796 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -75.4 | -24.6 | 174.7 | -164.7 | 68.5 | 0 | 0 | 0 | 112.9 | ||
| 508 | F | 78.4 | Confident | 77.7 | Confident | 145 Ų | 145 | 89.3 Ų | 89.3 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | trans | -123.1 | 129.9 | 177.5 | -61.8 | -72.6 | 0 | 0 | 0 | 110.6 | ||||
| 509 | L | 81.8 | Confident | 77.9 | Confident | 65 Ų | 65 | 92.3 Ų | 92.3 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | trans | -123.5 | 136.2 | 176.9 | -71.9 | 167.8 | 0 | 0 | 0 | 109.4 | W498 L503 N506 | W498-L509 HydrophobicContact CH2-CB 4.28Å; W498-L509 HydrophobicContact CZ2-CB 3.92Å; L503-L509 HydrophobicContact CD1-CD1 3.96Å; N506-L509 HydrophobicContact CB-CD2 4.31Å | ||
| 510 | T | 82.8 | Confident | 77.9 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 64% | 0.638 | 51% | 0.508 | S | S | * | . | trans | -99.4 | 133 | 177.2 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | W498 | W498-T510 WeakPolarHBondContact CZ2-O 3.31Š| ||
| 511 | L | 81.3 | Confident | 78.2 | Confident | 51 Ų | 51 | 93.6 Ų | 93.6 | 27% | 0.267 | 49% | 0.49 | S | S | . | . | trans | -87.1 | 117.3 | 172.4 | -70.8 | 169.9 | 0 | 0 | 0 | 109.1 | W487 V489 M492 W498 P513 V518 | W487-L511 HydrophobicContact CE3-CB 4.36Å; W487-L511 HydrophobicContact CE3-CD1 4.36Å; W487-L511 HydrophobicContact CZ3-CB 4.26Å; V489-L511 HydrophobicContact CG2-CD2 4.45Å; M492-L511 HydrophobicContact CG-CD2 3.76Å; W498-L511 HydrophobicContact CH2-CD2 3.24Å; W498-L511 HydrophobicContact CH2-CG 4.01Å; W498-L511 HydrophobicContact CZ2-CD2 3.65Å; W498-L511 HydrophobicContact CZ2-CG 4.25Å; W498-L511 HydrophobicContact CZ3-CD2 4.1Å; L511-P513 WeakPolarHBondContact O-CD 3.43Å; L511-V518 HydrophobicContact CB-CG1 4.31Å; L511-V518 HydrophobicContact CD2-CG1 4.38Å | ||
| 512 | D | 79.1 | Confident | 78.6 | Confident | 74 Ų | 74 | 90.7 Ų | 90.7 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | trans | -85.2 | 115.4 | 179 | -75.4 | -22.8 | 0 | 0 | 0 | 111 | M492 N514 V515 | M492-D512 HydrophobicContact CE-CB 4.45Å; D512-N514 PolarHBondContact O-N 3.4Å; D512-V515 HydrophobicContact CB-CG2 4.04Å; D512-V515 PolarHBondContact O-N 3.4Å | ||
| 513 | P | 79.3 | Confident | 79.2 | Confident | 61 Ų | 61 | 89 Ų | 89 | 40% | 0.396 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.1 | -177.9 | 26.6 | -33.8 | 0 | 0 | 0 | 113.8 | W487 L511 V515 A608 | W487-P513 HydrophobicContact CH2-CB 3.94Å; W487-P513 HydrophobicContact CZ3-CB 4.18Å; L511-P513 WeakPolarHBondContact O-CD 3.43Å; P513-V515 VanDerWaalsContact C-N 3.33Å; P513-A608 HydrophobicContact CB-CB 3.89Å; P513-A608 HydrophobicContact CG-CB 3.79Å |
| 514 | N | 80 | Confident | 79.7 | Confident | 103 Ų | 103 | 88.7 Ų | 88.7 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -16.8 | 179.8 | -163.3 | 31.9 | 0 | 0 | 0 | 112.8 | D512 K609 | D512-N514 PolarHBondContact O-N 3.4Å; N514-K609 WeakPolarHBondContact OD1-CG 3.39Å |
| 515 | V | 79.2 | Confident | 80.3 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 18% | 0.176 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -76.8 | 130.8 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | M492 A495 V497 D512 P513 G517 V518 | M492-V515 HydrophobicContact SD-CB 4.34Å; M492-V515 HydrophobicContact SD-CG1 4.48Å; M492-V515 HydrophobicContact SD-CG2 4.27Å; A495-V515 HydrophobicContact CB-CG1 3.52Å; V497-V515 HydrophobicContact CG2-CG2 4.29Å; D512-V515 HydrophobicContact CB-CG2 4.04Å; D512-V515 PolarHBondContact O-N 3.4Å; P513-V515 VanDerWaalsContact C-N 3.33Å; V515-G517 PolarHBondContact O-N 3.1Å; V515-V518 HydrophobicContact CB-CG2 3.7Å; V515-V518 HydrophobicContact CG1-CG2 3.82Å; V515-V518 PolarHBondContact O-N 3.47Å |
| 516 | T | 74 | Confident | 80.9 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 80% | 0.804 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 125 | -176.3 | 51.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 517 | G | 72.7 | Confident | 81.3 | Confident | 34 Ų | 34 | 76.6 Ų | 76.6 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -7.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S488 V515 | S488-G517 PolarHBondContact OG-O 3.06Å; V515-G517 PolarHBondContact O-N 3.1Å |
| 518 | V | 80.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -44.8 | 175.2 | 176 | 0 | 0 | 0 | 0 | 111 | W487 S488 A491 M492 L511 V515 | W487-V518 CarbonylContact C-O 3Å; W487-V518 WeakPolarHBondContact CA-O 3.49Å; W487-V518 HydrophobicContact CE3-CG1 3.93Å; W487-V518 HydrophobicContact CZ3-CG1 4.06Å; S488-V518 PolarHBondContact N-O 3.36Å; A491-V518 HydrophobicContact CB-CG2 3.88Å; M492-V518 HydrophobicContact CG-CG2 3.8Å; M492-V518 HydrophobicContact SD-CG2 3.59Å; M492-V518 VanDerWaalsContact SD-CG2 3.59Å; L511-V518 HydrophobicContact CB-CG1 4.31Å; L511-V518 HydrophobicContact CD2-CG1 4.38Å; V515-V518 HydrophobicContact CB-CG2 3.7Å; V515-V518 HydrophobicContact CG1-CG2 3.82Å; V515-V518 PolarHBondContact O-N 3.47Å |
| 519 | F | 83.5 | Confident | 82.5 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -107.8 | 111.7 | 169.9 | -176.6 | -109.3 | 0 | 0 | 0 | 109 | W487 G521 | W487-F519 HydrophobicContact CD2-CD2 4.18Å; W487-F519 AromaticContact CE2-CD2 3.78Å; W487-F519 HydrophobicContact CH2-CD2 4.4Å; W487-F519 AromaticContact CZ2-CD2 3.91Å; W487-F519 HydrophobicContact CZ2-CD2 3.91Å; W487-F519 HydrophobicContact CZ2-CE2 4.41Å; W487-F519 HydrophobicContact CZ3-CB 4.48Å; F519-G521 VanDerWaalsContact CE2-O 3.31Å; F519-G521 WeakPolarHBondContact CE2-O 3.45Å; F519-G521 WeakPolarHBondContact CZ-O 3.46Å |
| 520 | K | 78.4 | Confident | 82.8 | Confident | 157 Ų | 157 | 61.7 Ų | 61.7 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | trans | -91.4 | -12.4 | -176.6 | -67.4 | 179.7 | 177.6 | 174.1 | 0 | 113.4 | G486 S488 | G486-K520 PolarHBondContact O-N 3.15Å; S488-K520 WeakPolarHBondContact OG-CE 3.35Å | ||
| 521 | G | 81.3 | Confident | 83 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | trans | 148.7 | 169 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F519 | F519-G521 VanDerWaalsContact CE2-O 3.31Å; F519-G521 WeakPolarHBondContact CE2-O 3.45Å; F519-G521 WeakPolarHBondContact CZ-O 3.46Å | ||
| 522 | P | 84.4 | Confident | 83.2 | Confident | 111 Ų | 111 | 57.6 Ų | 57.6 | 72% | 0.721 | 33% | 0.328 | S | S | * | . | trans | -66.3 | 148.6 | 175.2 | 29.2 | -34.1 | 0 | 0 | 0 | 111.3 | ||||
| 523 | Y | 86 | Confident | 83.5 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 11% | 0.106 | 35% | 0.347 | C | S | . | . | trans | -66.1 | 134.8 | 176 | -168.8 | -116.1 | 0 | 0 | 0 | 110.1 | I482 F483 G484 F525 P529 | I482-Y523 PolarHBondContact N-OH 2.81Å; F483-Y523 HydrophobicContact CB-CE2 3.69Å; F483-Y523 HydrophobicContact CD2-CE1 4.33Å; F483-Y523 HydrophobicContact CD2-CE2 4.48Å; F483-Y523 AromaticContact CD2-CZ 3.89Å; F483-Y523 PolarHBondContact N-OH 3.34Å; G484-Y523 WeakPolarHBondContact O-CD2 3.25Å; G484-Y523 VanDerWaalsContact O-CE2 3.25Å; G484-Y523 WeakPolarHBondContact O-CE2 3.37Å; Y523-F525 VanDerWaalsContact C-N 3.29Å; Y523-F525 WeakPolarHBondContact CD1-O 3.47Å; Y523-F525 WeakPolarHBondContact CE1-O 3.5Å; Y523-F525 PolarHBondContact O-N 3.02Å; Y523-P529 HydrophobicContact CE2-CG 4.4Å | ||
| 524 | P | 85.9 | Confident | 83.9 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 66% | 0.656 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -61.5 | -30.4 | -172.4 | -27.5 | 35.7 | 0 | 0 | 0 | 115.3 | F483 | F483-P524 HydrophobicContact CB-CG 4.27Å; F483-P524 HydrophobicContact CG-CG 4.47Å |
| 525 | F | 88.6 | Confident | 84.1 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 37% | 0.368 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -150.2 | 113.6 | -175.3 | -179.3 | -110 | 0 | 0 | 0 | 112.3 | L470 I471 F483 Y523 | L470-F525 HydrophobicContact CB-CE1 3.84Å; L470-F525 HydrophobicContact CB-CZ 4.26Å; I471-F525 HydrophobicContact CG1-CE2 4.45Å; I471-F525 HydrophobicContact CG1-CZ 4.32Å; F483-F525 HydrophobicContact CE2-CB 4.03Å; Y523-F525 VanDerWaalsContact C-N 3.29Å; Y523-F525 WeakPolarHBondContact CD1-O 3.47Å; Y523-F525 WeakPolarHBondContact CE1-O 3.5Å; Y523-F525 PolarHBondContact O-N 3.02Å |
| 526 | G | 87.5 | Confident | 84.5 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 32% | 0.32 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 80.7 | -160 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I471 | I471-G526 CarbonylContact O-C 3.59Å; I471-G526 WeakPolarHBondContact O-CA 3.47Å |
| 527 | I | 88.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -87.6 | 140.7 | -178.1 | -55.9 | 176 | 0 | 0 | 0 | 110.4 | I471 Y472 N473 W531 F540 L541 Y544 | I471-I527 PolarHBondContact O-N 3.39Å; Y472-I527 HydrophobicContact CD1-CD1 4.34Å; N473-I527 WeakPolarHBondContact CB-O 3.31Å; N473-I527 PolarHBondContact ND2-O 3.14Å; I527-W531 HydrophobicContact CG2-CG 4.44Å; I527-F540 HydrophobicContact CG2-CE1 4.01Å; I527-L541 HydrophobicContact CD1-CD2 3.52Å; I527-Y544 HydrophobicContact CD1-CD1 4.23Å; I527-Y544 HydrophobicContact CD1-CE1 4.16Å |
| 528 | D | 89.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | trans | -60.9 | 129.2 | -179.4 | -165.3 | -42.5 | 0 | 0 | 0 | 111.3 | G486 W487 I530 W531 | G486-D528 PolarHBondContact N-OD2 2.93Å; W487-D528 VanDerWaalsContact CD1-OD2 3.26Å; D528-I530 HydrophobicContact CB-CG2 4.2Å; D528-I530 PolarHBondContact O-N 3.42Å; D528-I530 VanDerWaalsContact O-N 3.09Å; D528-I530 WeakPolarHBondContact OD1-CG2 3.08Å; D528-I530 PolarHBondContact OD1-N 2.87Å; D528-I530 VanDerWaalsContact OD1-N 3.1Å; D528-W531 VanDerWaalsContact O-CD1 3.31Å; D528-W531 PolarHBondContact O-N 3.44Å | ||
| 529 | P | 87.4 | Confident | 86.3 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.071 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -55.2 | -27.1 | 180 | -21.4 | 25.2 | 0 | 0 | 0 | 115.1 | N473 S479 L480 N481 Y523 W531 N532 | N473-P529 WeakPolarHBondContact ND2-CG 3.36Å; S479-P529 PolarHBondContact OG-O 3.22Å; L480-P529 WeakPolarHBondContact O-CG 3.18Å; N481-P529 HydrophobicContact CB-CG 4.38Å; Y523-P529 HydrophobicContact CE2-CG 4.4Å; P529-W531 PolarHBondContact O-N 2.79Å; P529-N532 PolarHBondContact O-N 3.33Å |
| 530 | I | 87.8 | Confident | 86.6 | Confident | 46 Ų | 46 | 64 Ų | 64 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -60 | -28.9 | -177.2 | -165.6 | 60.4 | 0 | 0 | 0 | 112.4 | W487 D528 N532 L533 A534 | W487-I530 HydrophobicContact CB-CG2 4.35Å; W487-I530 VanDerWaalsContact CD1-CG2 3.48Å; W487-I530 HydrophobicContact CG-CG2 4.01Å; D528-I530 HydrophobicContact CB-CG2 4.2Å; D528-I530 PolarHBondContact O-N 3.42Å; D528-I530 VanDerWaalsContact O-N 3.09Å; D528-I530 WeakPolarHBondContact OD1-CG2 3.08Å; D528-I530 PolarHBondContact OD1-N 2.87Å; D528-I530 VanDerWaalsContact OD1-N 3.1Å; I530-N532 PolarHBondContact O-N 2.98Å; I530-L533 HydrophobicContact CD1-CD1 4.43Å; I530-L533 PolarHBondContact O-N 3.39Å; I530-L533 VanDerWaalsContact O-N 3.08Å; I530-A534 PolarHBondContact O-N 2.93Å |
| 531 | W | 87.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 16% | 0.159 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -62.9 | -28.2 | -178.4 | -71 | 110 | 0 | 0 | 0 | 112.1 | W487 I527 D528 P529 L533 A534 R537 F540 | W487-W531 HydrophobicContact CZ2-CZ2 4.32Å; I527-W531 HydrophobicContact CG2-CG 4.44Å; D528-W531 VanDerWaalsContact O-CD1 3.31Å; D528-W531 PolarHBondContact O-N 3.44Å; P529-W531 PolarHBondContact O-N 2.79Å; W531-L533 PolarHBondContact O-N 3.46Å; W531-A534 HydrophobicContact CE3-CB 4.16Å; W531-A534 PolarHBondContact O-N 3.2Å; W531-A534 VanDerWaalsContact O-N 3.12Å; W531-R537 HydrophobicContact CB-CG 4.4Å; W531-R537 VanDerWaalsContact O-CB 3.24Å; W531-R537 WeakPolarHBondContact O-CB 3.38Å; W531-R537 VanDerWaalsContact O-CD 3.23Å; W531-R537 WeakPolarHBondContact O-CD 3.27Å; W531-R537 WeakPolarHBondContact O-CG 3.45Å; W531-F540 AromaticContact CD2-CD1 3.97Å; W531-F540 HydrophobicContact CD2-CD1 3.97Å; W531-F540 HydrophobicContact CD2-CE1 4.39Å; W531-F540 HydrophobicContact CD2-CG 4.27Å; W531-F540 HydrophobicContact CE3-CB 4.2Å; W531-F540 HydrophobicContact CE3-CD1 4.35Å; W531-F540 HydrophobicContact CE3-CG 4.3Å; W531-F540 HydrophobicContact CG-CD1 4.23Å; W531-F540 HydrophobicContact CG-CE1 4.42Å; W531-F540 HydrophobicContact CH2-CB 4.35Å; W531-F540 HydrophobicContact CH2-CD2 4.25Å; W531-F540 HydrophobicContact CH2-CG 4.22Å; W531-F540 HydrophobicContact CZ2-CD1 4.46Å; W531-F540 HydrophobicContact CZ2-CD2 4.08Å; W531-F540 HydrophobicContact CZ2-CE2 4.29Å; W531-F540 HydrophobicContact CZ2-CG 4.18Å; W531-F540 HydrophobicContact CZ3-CB 4.04Å; W531-F540 HydrophobicContact CZ3-CG 4.27Å; W531-F540 AromaticContact NE1-CE1 3.94Å |
| 532 | N | 86.3 | Confident | 87.6 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -64.5 | -27.3 | 177 | -162.3 | 10.2 | 0 | 0 | 0 | 113.3 | S477 K478 S479 P529 I530 R537 | S477-N532 PolarHBondContact O-ND2 3.18Å; K478-N532 WeakPolarHBondContact CA-ND2 3.43Å; S479-N532 PolarHBondContact N-ND2 3.1Å; S479-N532 VanDerWaalsContact OG-CB 3.23Å; S479-N532 WeakPolarHBondContact OG-CB 3.31Å; S479-N532 PolarHBondContact OG-ND2 3.07Å; P529-N532 PolarHBondContact O-N 3.33Å; I530-N532 PolarHBondContact O-N 2.98Å; N532-R537 PolarHBondContact OD1-NH1 3.02Å |
| 533 | L | 84.4 | Confident | 87.9 | Confident | 151 Ų | 151 | 56.2 Ų | 56.2 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -88.5 | -13.9 | 176.9 | -61.9 | 174.1 | 0 | 0 | 0 | 112.6 | I530 W531 | I530-L533 HydrophobicContact CD1-CD1 4.43Å; I530-L533 PolarHBondContact O-N 3.39Å; I530-L533 VanDerWaalsContact O-N 3.08Å; W531-L533 PolarHBondContact O-N 3.46Å |
| 534 | A | 86.8 | Confident | 88.1 | Confident | 30 Ų | 30 | 58 Ų | 58 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | trans | -84.5 | 138 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I530 W531 N536 R537 | I530-A534 PolarHBondContact O-N 2.93Å; W531-A534 HydrophobicContact CE3-CB 4.16Å; W531-A534 PolarHBondContact O-N 3.2Å; W531-A534 VanDerWaalsContact O-N 3.12Å; A534-N536 VanDerWaalsContact C-N 3.28Å; A534-N536 WeakPolarHBondContact CB-OD1 3.42Å; A534-N536 PolarHBondContact O-N 2.95Å; A534-R537 WeakPolarHBondContact O-CB 3.36Å; A534-R537 PolarHBondContact O-N 2.64Å | ||
| 535 | S | 84.4 | Confident | 88.4 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 69% | 0.685 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -27.5 | 176.2 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | R537 | S535-R537 VanDerWaalsContact C-N 3.34Š|
| 536 | N | 88.8 | Confident | 88.6 | Confident | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 14 | 179.5 | 65.2 | -13.8 | 0 | 0 | 0 | 114.1 | A534 L538 T539 F540 | A534-N536 VanDerWaalsContact C-N 3.28Å; A534-N536 WeakPolarHBondContact CB-OD1 3.42Å; A534-N536 PolarHBondContact O-N 2.95Å; N536-L538 VanDerWaalsContact C-N 3.33Å; N536-L538 PolarHBondContact O-N 3.43Å; N536-T539 PolarHBondContact O-N 3.47Å; N536-F540 PolarHBondContact O-N 3.32Å |
| 537 | R | 87.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.4 | -45.5 | 178.7 | -179.4 | 174.6 | 47.4 | 155.7 | 3 | 113.2 | W531 N532 A534 S535 T539 F540 L541 E763 | W531-R537 HydrophobicContact CB-CG 4.4Å; W531-R537 VanDerWaalsContact O-CB 3.24Å; W531-R537 WeakPolarHBondContact O-CB 3.38Å; W531-R537 VanDerWaalsContact O-CD 3.23Å; W531-R537 WeakPolarHBondContact O-CD 3.27Å; W531-R537 WeakPolarHBondContact O-CG 3.45Å; N532-R537 PolarHBondContact OD1-NH1 3.02Å; A534-R537 WeakPolarHBondContact O-CB 3.36Å; A534-R537 PolarHBondContact O-N 2.64Å; S535-R537 VanDerWaalsContact C-N 3.34Å; R537-T539 VanDerWaalsContact C-N 3.31Å; R537-T539 PolarHBondContact O-N 3.35Å; R537-F540 PolarHBondContact O-N 3Å; R537-L541 HydrophobicContact CG-CD1 3.56Å; R537-L541 HydrophobicContact CG-CG 3.95Å; R537-L541 WeakPolarHBondContact O-CB 3.35Å; R537-L541 PolarHBondContact O-N 2.86Å; R537-E763 IonicContact CZ-OE2 3.64Å; R537-E763 IonicContact NH1-OE2 3.94Å; R537-E763 IonicContact NH2-OE1 2.84Å; R537-E763 PolarHBondContact NH2-OE1 3.47Å; R537-E763 IonicContact NH2-OE2 2.69Å; R537-E763 PolarHBondContact NH2-OE2 3.27Å |
| 538 | L | 87.8 | Confident | 89.1 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | -174.1 | -171.9 | 65.6 | 0 | 0 | 0 | 111.3 | N536 F540 N542 L756 | N536-L538 VanDerWaalsContact C-N 3.33Å; N536-L538 PolarHBondContact O-N 3.43Å; L538-F540 PolarHBondContact O-N 3.34Å; L538-N542 WeakPolarHBondContact O-CB 3.38Å; L538-N542 PolarHBondContact O-N 3.38Å; L538-L756 HydrophobicContact CD1-CD1 4Å; L538-L756 HydrophobicContact CD1-CD2 4.29Å; L538-L756 HydrophobicContact CD1-CG 4.24Å |
| 539 | T | 89.8 | Confident | 89.3 | Confident | 110 Ų | 110 | 53.2 Ų | 53.2 | 68% | 0.675 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 177.5 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | N536 R537 S543 | N536-T539 PolarHBondContact O-N 3.47Å; R537-T539 VanDerWaalsContact C-N 3.31Å; R537-T539 PolarHBondContact O-N 3.35Å; T539-S543 PolarHBondContact O-N 3.44Å |
| 540 | F | 89.6 | Confident | 89.6 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 33% | 0.333 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.5 | -52.8 | 177.1 | 174.2 | -101.8 | 0 | 0 | 0 | 111.9 | I527 W531 N536 R537 L538 N542 S543 Y544 | I527-F540 HydrophobicContact CG2-CE1 4.01Å; W531-F540 AromaticContact CD2-CD1 3.97Å; W531-F540 HydrophobicContact CD2-CD1 3.97Å; W531-F540 HydrophobicContact CD2-CE1 4.39Å; W531-F540 HydrophobicContact CD2-CG 4.27Å; W531-F540 HydrophobicContact CE3-CB 4.2Å; W531-F540 HydrophobicContact CE3-CD1 4.35Å; W531-F540 HydrophobicContact CE3-CG 4.3Å; W531-F540 HydrophobicContact CG-CD1 4.23Å; W531-F540 HydrophobicContact CG-CE1 4.42Å; W531-F540 HydrophobicContact CH2-CB 4.35Å; W531-F540 HydrophobicContact CH2-CD2 4.25Å; W531-F540 HydrophobicContact CH2-CG 4.22Å; W531-F540 HydrophobicContact CZ2-CD1 4.46Å; W531-F540 HydrophobicContact CZ2-CD2 4.08Å; W531-F540 HydrophobicContact CZ2-CE2 4.29Å; W531-F540 HydrophobicContact CZ2-CG 4.18Å; W531-F540 HydrophobicContact CZ3-CB 4.04Å; W531-F540 HydrophobicContact CZ3-CG 4.27Å; W531-F540 AromaticContact NE1-CE1 3.94Å; N536-F540 PolarHBondContact O-N 3.32Å; R537-F540 PolarHBondContact O-N 3Å; L538-F540 PolarHBondContact O-N 3.34Å; F540-N542 VanDerWaalsContact C-N 3.32Å; F540-N542 PolarHBondContact O-N 3.11Å; F540-S543 PolarHBondContact O-N 3.45Å; F540-Y544 PolarHBondContact O-N 3.44Å |
| 541 | L | 89.2 | Confident | 89.9 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | -178.9 | -73.7 | -178.1 | 0 | 0 | 0 | 112.3 | I527 R537 Y544 K545 | I527-L541 HydrophobicContact CD1-CD2 3.52Å; R537-L541 HydrophobicContact CG-CD1 3.56Å; R537-L541 HydrophobicContact CG-CG 3.95Å; R537-L541 WeakPolarHBondContact O-CB 3.35Å; R537-L541 PolarHBondContact O-N 2.86Å; L541-Y544 PolarHBondContact O-N 3.28Å; L541-K545 WeakPolarHBondContact O-CB 3.46Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3.45Å |
| 542 | N | 91.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.9 | -50.8 | 176.2 | -176 | -0.7 | 0 | 0 | 0 | 110.7 | L538 F540 Y544 K545 M546 W752 L756 | L538-N542 WeakPolarHBondContact O-CB 3.38Å; L538-N542 PolarHBondContact O-N 3.38Å; F540-N542 VanDerWaalsContact C-N 3.32Å; F540-N542 PolarHBondContact O-N 3.11Å; N542-Y544 VanDerWaalsContact C-N 3.3Å; N542-Y544 PolarHBondContact O-N 3.47Å; N542-K545 PolarHBondContact O-N 2.76Å; N542-M546 VanDerWaalsContact O-CB 3.23Å; N542-M546 WeakPolarHBondContact O-CB 3.4Å; N542-M546 PolarHBondContact O-N 2.63Å; N542-W752 WeakPolarHBondContact OD1-CZ2 3.19Å; N542-W752 PolarHBondContact OD1-NE1 3.37Å; N542-L756 HydrophobicContact CB-CD1 4.3Å |
| 543 | S | 90.4 | Very high | 90.5 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 178.1 | -161.5 | 0 | 0 | 0 | 0 | 112.7 | T539 F540 K547 | T539-S543 PolarHBondContact O-N 3.44Å; F540-S543 PolarHBondContact O-N 3.45Å; S543-K547 WeakPolarHBondContact O-CD 3.35Å; S543-K547 VanDerWaalsContact O-CG 3.27Å; S543-K547 WeakPolarHBondContact O-CG 3.43Å; S543-K547 PolarHBondContact O-N 2.97Å; S543-K547 PolarHBondContact OG-NZ 3.31Å |
| 544 | Y | 91 | Very high | 91 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.3 | -55.7 | 178.9 | 174.3 | -103.6 | 0 | 0 | 0 | 112.1 | Y472 I527 F540 L541 N542 M546 K547 M548 W603 | Y472-Y544 HydrophobicContact CE1-CE1 4.33Å; I527-Y544 HydrophobicContact CD1-CD1 4.23Å; I527-Y544 HydrophobicContact CD1-CE1 4.16Å; F540-Y544 PolarHBondContact O-N 3.44Å; L541-Y544 PolarHBondContact O-N 3.28Å; N542-Y544 VanDerWaalsContact C-N 3.3Å; N542-Y544 PolarHBondContact O-N 3.47Å; Y544-M546 VanDerWaalsContact C-N 3.35Å; Y544-M546 PolarHBondContact O-N 2.89Å; Y544-K547 PolarHBondContact O-N 3.03Å; Y544-M548 HydrophobicContact CE1-SD 4.34Å; Y544-M548 WeakPolarHBondContact O-CB 3.43Å; Y544-M548 PolarHBondContact O-N 3.02Å; Y544-W603 HydrophobicContact CD2-CZ2 4.49Å |
| 545 | K | 92.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | -176 | -71 | -171.3 | 177.8 | -167.5 | 0 | 111.9 | L541 N542 M548 S549 W752 S755 | L541-K545 WeakPolarHBondContact O-CB 3.46Å; L541-K545 WeakPolarHBondContact O-CG 3.42Å; L541-K545 PolarHBondContact O-N 3.45Å; N542-K545 PolarHBondContact O-N 2.76Å; K545-M548 PolarHBondContact O-N 3.44Å; K545-S549 PolarHBondContact O-N 2.95Å; K545-S549 PolarHBondContact O-OG 3.03Å; K545-W752 HydrophobicContact CB-CB 4.35Å; K545-W752 VanDerWaalsContact CB-CD1 3.41Å; K545-W752 HydrophobicContact CB-CG 4.18Å; K545-S755 WeakPolarHBondContact CE-OG 3.37Å; K545-S755 PolarHBondContact NZ-O 3.23Å; K545-S755 PolarHBondContact NZ-OG 3.4Å |
| 546 | M | 92.4 | Very high | 91.7 | Very high | 75 Ų | 75 | 41.6 Ų | 41.6 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 175 | -173.6 | -172.4 | 71.9 | 0 | 0 | 112.3 | N542 Y544 S549 V550 L749 W752 | N542-M546 VanDerWaalsContact O-CB 3.23Å; N542-M546 WeakPolarHBondContact O-CB 3.4Å; N542-M546 PolarHBondContact O-N 2.63Å; Y544-M546 VanDerWaalsContact C-N 3.35Å; Y544-M546 PolarHBondContact O-N 2.89Å; M546-S549 PolarHBondContact O-OG 3.43Å; M546-V550 WeakPolarHBondContact O-CG2 3.44Å; M546-V550 PolarHBondContact O-N 3.02Å; M546-L749 HydrophobicContact CG-CD2 3.89Å; M546-W752 HydrophobicContact CB-CD2 4.04Å; M546-W752 HydrophobicContact CB-CE3 4.37Å; M546-W752 HydrophobicContact CB-CG 4.17Å; M546-W752 HydrophobicContact CG-CD2 4.4Å; M546-W752 HydrophobicContact CG-CE3 4.23Å |
| 547 | K | 93.3 | Very high | 91.8 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 13% | 0.126 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.1 | -40.1 | 177.3 | -73.4 | 169.9 | -175.3 | 166.9 | 0 | 111.8 | S543 Y544 S549 V550 I551 I599 W603 | S543-K547 WeakPolarHBondContact O-CD 3.35Å; S543-K547 VanDerWaalsContact O-CG 3.27Å; S543-K547 WeakPolarHBondContact O-CG 3.43Å; S543-K547 PolarHBondContact O-N 2.97Å; S543-K547 PolarHBondContact OG-NZ 3.31Å; Y544-K547 PolarHBondContact O-N 3.03Å; K547-S549 VanDerWaalsContact C-N 3.34Å; K547-S549 PolarHBondContact O-N 3.16Å; K547-V550 PolarHBondContact O-N 3.29Å; K547-I551 VanDerWaalsContact O-CG1 3.31Å; K547-I551 WeakPolarHBondContact O-CG1 3.46Å; K547-I551 PolarHBondContact O-N 3.44Å; K547-I551 VanDerWaalsContact O-N 3.07Å; K547-I599 HydrophobicContact CB-CD1 4.44Å; K547-I599 HydrophobicContact CB-CG2 4.06Å; K547-I599 HydrophobicContact CD-CG2 4.08Å; K547-I599 HydrophobicContact CG-CD1 4.4Å; K547-I599 HydrophobicContact CG-CG1 4.47Å; K547-I599 HydrophobicContact CG-CG2 4.2Å; K547-W603 HydrophobicContact CB-CH2 4.2Å; K547-W603 HydrophobicContact CB-CZ2 3.84Å; K547-W603 HydrophobicContact CD-CZ2 3.87Å |
| 548 | M | 93 | Very high | 92 | Very high | 32 Ų | 32 | 37.2 Ų | 37.2 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.8 | -176.3 | -161.9 | -173.4 | 0 | 0 | 111.5 | V413 Y472 Y544 K545 V550 I551 L552 | V413-M548 HydrophobicContact CG1-CE 4.33Å; V413-M548 HydrophobicContact CG1-SD 4.43Å; V413-M548 HydrophobicContact CG2-CE 4.12Å; Y472-M548 HydrophobicContact CE1-CE 4.48Å; Y472-M548 HydrophobicContact CE1-SD 4.14Å; Y544-M548 HydrophobicContact CE1-SD 4.34Å; Y544-M548 WeakPolarHBondContact O-CB 3.43Å; Y544-M548 PolarHBondContact O-N 3.02Å; K545-M548 PolarHBondContact O-N 3.44Å; M548-V550 PolarHBondContact O-N 3.5Å; M548-I551 PolarHBondContact O-N 3.16Å; M548-L552 HydrophobicContact CE-CD1 4.06Å; M548-L552 HydrophobicContact CG-CD1 4.21Å; M548-L552 WeakPolarHBondContact O-CG 3.17Å; M548-L552 PolarHBondContact O-N 3.09Å |
| 549 | S | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -40.1 | -179.8 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | K545 M546 K547 L552 G553 Y748 | K545-S549 PolarHBondContact O-N 2.95Å; K545-S549 PolarHBondContact O-OG 3.03Å; M546-S549 PolarHBondContact O-OG 3.43Å; K547-S549 VanDerWaalsContact C-N 3.34Å; K547-S549 PolarHBondContact O-N 3.16Å; S549-L552 PolarHBondContact O-N 3.46Å; S549-G553 PolarHBondContact O-N 3.26Å; S549-Y748 WeakPolarHBondContact CB-O 3.42Å |
| 550 | V | 93.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 12% | 0.121 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 175 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | M546 K547 M548 G553 V554 L595 I599 L749 | M546-V550 WeakPolarHBondContact O-CG2 3.44Å; M546-V550 PolarHBondContact O-N 3.02Å; K547-V550 PolarHBondContact O-N 3.29Å; M548-V550 PolarHBondContact O-N 3.5Å; V550-G553 PolarHBondContact O-N 3.2Å; V550-V554 HydrophobicContact CG1-CG2 4.4Å; V550-V554 WeakPolarHBondContact O-CG2 3.4Å; V550-V554 PolarHBondContact O-N 3.41Å; V550-L595 HydrophobicContact CG1-CD2 3.91Å; V550-I599 HydrophobicContact CG1-CD1 4.4Å; V550-L749 HydrophobicContact CG2-CD2 4.1Å |
| 551 | I | 94.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 27.8 Ų | 27.8 | 11% | 0.108 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 177.6 | -66.7 | 165.3 | 0 | 0 | 0 | 110.8 | K547 M548 G553 T555 V596 I599 F600 W603 | K547-I551 VanDerWaalsContact O-CG1 3.31Å; K547-I551 WeakPolarHBondContact O-CG1 3.46Å; K547-I551 PolarHBondContact O-N 3.44Å; K547-I551 VanDerWaalsContact O-N 3.07Å; M548-I551 PolarHBondContact O-N 3.16Å; I551-G553 VanDerWaalsContact C-N 3.34Å; I551-G553 PolarHBondContact O-N 3.06Å; I551-T555 HydrophobicContact CG2-CG2 4.47Å; I551-T555 WeakPolarHBondContact O-CB 3.25Å; I551-T555 VanDerWaalsContact O-CG2 3.3Å; I551-T555 WeakPolarHBondContact O-CG2 3.35Å; I551-T555 PolarHBondContact O-N 3.09Å; I551-T555 PolarHBondContact O-OG1 3.38Å; I551-V596 HydrophobicContact CG1-CG1 4.22Å; I551-V596 HydrophobicContact CG1-CG2 4.36Å; I551-V596 HydrophobicContact CG2-CG1 4.5Å; I551-I599 HydrophobicContact CD1-CG2 3.87Å; I551-I599 HydrophobicContact CG1-CD1 4.35Å; I551-F600 HydrophobicContact CD1-CE2 4.07Å; I551-F600 HydrophobicContact CD1-CZ 3.99Å; I551-F600 HydrophobicContact CG1-CE2 4.36Å; I551-F600 HydrophobicContact CG2-CE2 4.17Å; I551-F600 HydrophobicContact CG2-CZ 4.18Å; I551-W603 HydrophobicContact CD1-CH2 3.73Å; I551-W603 HydrophobicContact CD1-CZ3 3.64Å |
| 552 | L | 93.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 177.9 | -72.8 | -179.1 | 0 | 0 | 0 | 112.1 | F409 V413 M548 S549 T555 H556 L751 | F409-L552 HydrophobicContact CE1-CD1 4.13Å; F409-L552 HydrophobicContact CE1-CD2 3.83Å; F409-L552 HydrophobicContact CZ-CD1 4.46Å; F409-L552 HydrophobicContact CZ-CD2 4.23Å; V413-L552 HydrophobicContact CG1-CD1 4.19Å; V413-L552 HydrophobicContact CG2-CD1 3.87Å; M548-L552 HydrophobicContact CE-CD1 4.06Å; M548-L552 HydrophobicContact CG-CD1 4.21Å; M548-L552 WeakPolarHBondContact O-CG 3.17Å; M548-L552 PolarHBondContact O-N 3.09Å; S549-L552 PolarHBondContact O-N 3.46Å; L552-T555 WeakPolarHBondContact CA-OG1 3.37Å; L552-T555 PolarHBondContact O-OG1 2.97Å; L552-H556 WeakPolarHBondContact O-CB 3.32Å; L552-H556 PolarHBondContact O-N 3.42Å; L552-L751 HydrophobicContact CB-CD1 4.39Å |
| 553 | G | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -50.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S549 V550 I551 T555 H556 M557 Y748 | S549-G553 PolarHBondContact O-N 3.26Å; V550-G553 PolarHBondContact O-N 3.2Å; I551-G553 VanDerWaalsContact C-N 3.34Å; I551-G553 PolarHBondContact O-N 3.06Å; G553-T555 PolarHBondContact O-N 2.9Å; G553-H556 PolarHBondContact O-N 3.42Å; G553-M557 WeakPolarHBondContact O-CE 3.17Å; G553-M557 WeakPolarHBondContact O-CG 3.46Å; G553-M557 PolarHBondContact O-N 3.11Å; G553-Y748 VanDerWaalsContact CA-CD2 3.42Å |
| 554 | V | 93.8 | Very high | 92 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.03 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.4 | -39.3 | -178.3 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | V550 M557 S558 F592 V596 T745 | V550-V554 HydrophobicContact CG1-CG2 4.4Å; V550-V554 WeakPolarHBondContact O-CG2 3.4Å; V550-V554 PolarHBondContact O-N 3.41Å; V554-M557 HydrophobicContact CG2-CE 4.49Å; V554-S558 VanDerWaalsContact O-CB 3.31Å; V554-S558 WeakPolarHBondContact O-CB 3.36Å; V554-S558 PolarHBondContact O-N 3.21Å; V554-S558 PolarHBondContact O-OG 3.44Å; V554-F592 HydrophobicContact CG1-CB 4.19Å; V554-F592 HydrophobicContact CG2-CB 3.78Å; V554-V596 HydrophobicContact CB-CG2 3.87Å; V554-V596 HydrophobicContact CG1-CG2 4.01Å; V554-V596 HydrophobicContact CG2-CG2 4.07Å; V554-T745 HydrophobicContact CG2-CG2 4.1Å |
| 555 | T | 93 | Very high | 91.8 | Very high | 70 Ų | 70 | 24.2 Ų | 24.2 | 43% | 0.429 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | I551 L552 G553 S558 F559 | I551-T555 HydrophobicContact CG2-CG2 4.47Å; I551-T555 WeakPolarHBondContact O-CB 3.25Å; I551-T555 VanDerWaalsContact O-CG2 3.3Å; I551-T555 WeakPolarHBondContact O-CG2 3.35Å; I551-T555 PolarHBondContact O-N 3.09Å; I551-T555 PolarHBondContact O-OG1 3.38Å; L552-T555 WeakPolarHBondContact CA-OG1 3.37Å; L552-T555 PolarHBondContact O-OG1 2.97Å; G553-T555 PolarHBondContact O-N 2.9Å; T555-S558 WeakPolarHBondContact CA-OG 3.44Å; T555-S558 PolarHBondContact O-OG 3.29Å; T555-F559 WeakPolarHBondContact O-CB 3.34Å; T555-F559 PolarHBondContact O-N 3.13Å |
| 556 | H | 93.3 | Very high | 91.4 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 177.3 | -173.4 | -130.5 | 0 | 0 | 0 | 112.9 | L552 G553 F559 G560 Y748 H816 F820 | L552-H556 WeakPolarHBondContact O-CB 3.32Å; L552-H556 PolarHBondContact O-N 3.42Å; G553-H556 PolarHBondContact O-N 3.42Å; H556-F559 WeakPolarHBondContact O-CB 3.45Å; H556-F559 PolarHBondContact O-N 3.2Å; H556-G560 PolarHBondContact O-N 2.86Å; H556-Y748 AromaticContact ND1-CZ 3.78Å; H556-Y748 PolarHBondContact ND1-OH 3.2Å; H556-H816 AromaticContact NE2-NE2 3.87Å; H556-F820 AromaticContact CD2-CD2 3.81Å; H556-F820 AromaticContact CE1-CD2 3.73Å; H556-F820 AromaticContact CE1-CG 3.73Å; H556-F820 AromaticContact NE2-CD2 3.42Å; H556-F820 WeakPolarHBondContact NE2-CD2 3.46Å; H556-F820 AromaticContact NE2-CE2 3.91Å; H556-F820 AromaticContact NE2-CG 3.66Å |
| 557 | M | 91.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 176.6 | -73.5 | -176.2 | -67.7 | 0 | 0 | 112.6 | G553 V554 F559 G560 V561 L588 N744 T745 Y748 | G553-M557 WeakPolarHBondContact O-CE 3.17Å; G553-M557 WeakPolarHBondContact O-CG 3.46Å; G553-M557 PolarHBondContact O-N 3.11Å; V554-M557 HydrophobicContact CG2-CE 4.49Å; M557-F559 VanDerWaalsContact C-N 3.26Å; M557-F559 PolarHBondContact O-N 3.06Å; M557-G560 PolarHBondContact O-N 2.97Å; M557-G560 VanDerWaalsContact O-N 3.1Å; M557-V561 PolarHBondContact O-N 3.05Å; M557-L588 HydrophobicContact CB-CD2 4.32Å; M557-N744 HydrophobicContact SD-CB 3.69Å; M557-T745 HydrophobicContact CE-CG2 4.4Å; M557-T745 WeakPolarHBondContact CE-OG1 3.29Å; M557-Y748 HydrophobicContact CE-CD2 4.05Å; M557-Y748 HydrophobicContact CE-CE2 3.91Å; M557-Y748 HydrophobicContact CG-CE2 3.67Å; M557-Y748 HydrophobicContact SD-CD2 4.36Å; M557-Y748 HydrophobicContact SD-CE2 3.77Å |
| 558 | S | 91.5 | Very high | 90.8 | Very high | 21 Ų | 21 | 27.9 Ų | 27.9 | 15% | 0.147 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | V554 T555 V561 I562 | V554-S558 VanDerWaalsContact O-CB 3.31Å; V554-S558 WeakPolarHBondContact O-CB 3.36Å; V554-S558 PolarHBondContact O-N 3.21Å; V554-S558 PolarHBondContact O-OG 3.44Å; T555-S558 WeakPolarHBondContact CA-OG 3.44Å; T555-S558 PolarHBondContact O-OG 3.29Å; S558-V561 PolarHBondContact O-N 3.39Å; S558-I562 WeakPolarHBondContact O-CD1 3.49Å; S558-I562 VanDerWaalsContact O-CG1 3.25Å; S558-I562 WeakPolarHBondContact O-CG1 3.3Å; S558-I562 PolarHBondContact O-N 3.07Å |
| 559 | F | 91.9 | Very high | 90.5 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 31% | 0.307 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 171.2 | -179.6 | -116.7 | 0 | 0 | 0 | 112.6 | F402 T555 H556 M557 V561 I562 L563 F820 | F402-F559 HydrophobicContact CB-CE1 4.21Å; F402-F559 AromaticContact CD1-CE1 3.73Å; F402-F559 HydrophobicContact CD1-CE1 3.73Å; F402-F559 AromaticContact CD1-CZ 3.52Å; F402-F559 HydrophobicContact CD1-CZ 3.52Å; F402-F559 HydrophobicContact CE1-CE1 4.26Å; F402-F559 AromaticContact CE1-CZ 3.61Å; F402-F559 HydrophobicContact CE1-CZ 3.61Å; F402-F559 AromaticContact CG-CE1 3.9Å; F402-F559 HydrophobicContact CG-CE1 3.9Å; F402-F559 HydrophobicContact CG-CZ 4.1Å; F402-F559 HydrophobicContact CZ-CZ 4.24Å; T555-F559 WeakPolarHBondContact O-CB 3.34Å; T555-F559 PolarHBondContact O-N 3.13Å; H556-F559 WeakPolarHBondContact O-CB 3.45Å; H556-F559 PolarHBondContact O-N 3.2Å; M557-F559 VanDerWaalsContact C-N 3.26Å; M557-F559 PolarHBondContact O-N 3.06Å; F559-V561 PolarHBondContact O-N 3.4Å; F559-I562 PolarHBondContact O-N 3.1Å; F559-L563 HydrophobicContact CD1-CD1 4.4Å; F559-L563 HydrophobicContact CE1-CD1 3.9Å; F559-L563 HydrophobicContact CE1-CG 4.48Å; F559-L563 HydrophobicContact CZ-CD1 4.11Å; F559-L563 HydrophobicContact CZ-CD2 4.23Å; F559-L563 HydrophobicContact CZ-CG 4.28Å; F559-L563 PolarHBondContact O-N 3.43Å; F559-L563 VanDerWaalsContact O-N 3.13Å; F559-F820 AromaticContact CD1-CE2 3.67Å; F559-F820 HydrophobicContact CD1-CE2 3.67Å; F559-F820 AromaticContact CD1-CZ 4Å; F559-F820 HydrophobicContact CD1-CZ 4Å; F559-F820 HydrophobicContact CE1-CE2 4.16Å; F559-F820 HydrophobicContact CE1-CZ 4.01Å |
| 560 | G | 89.9 | Confident | 90 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H556 M557 I562 L563 S564 F824 | H556-G560 PolarHBondContact O-N 2.86Å; M557-G560 PolarHBondContact O-N 2.97Å; M557-G560 VanDerWaalsContact O-N 3.1Å; G560-I562 VanDerWaalsContact C-N 3.32Å; G560-I562 PolarHBondContact O-N 3.36Å; G560-L563 WeakPolarHBondContact O-CB 3.37Å; G560-L563 PolarHBondContact O-N 2.78Å; G560-L563 VanDerWaalsContact O-N 3.14Å; G560-S564 PolarHBondContact O-N 3.48Å; G560-F824 WeakPolarHBondContact O-CD1 3.46Å |
| 561 | V | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -36.7 | 175.8 | 178 | 0 | 0 | 0 | 0 | 111.1 | M557 S558 F559 L563 S564 F581 E584 L585 L588 K823 | M557-V561 PolarHBondContact O-N 3.05Å; S558-V561 PolarHBondContact O-N 3.39Å; F559-V561 PolarHBondContact O-N 3.4Å; V561-L563 VanDerWaalsContact C-N 3.27Å; V561-L563 PolarHBondContact O-N 2.96Å; V561-S564 PolarHBondContact O-N 2.92Å; V561-S564 PolarHBondContact O-OG 3.32Å; V561-F581 HydrophobicContact CG1-CD2 3.9Å; V561-F581 HydrophobicContact CG1-CE2 3.88Å; V561-F581 WeakPolarHBondContact O-CD2 3.37Å; V561-F581 VanDerWaalsContact O-CE2 3.28Å; V561-F581 WeakPolarHBondContact O-CE2 3.27Å; V561-E584 HydrophobicContact CG1-CB 4.42Å; V561-L585 HydrophobicContact CG1-CB 4.26Å; V561-L585 HydrophobicContact CG1-CD1 4.35Å; V561-L588 HydrophobicContact CG2-CD2 4.41Å; V561-K823 HydrophobicContact CG2-CB 4.13Å; V561-K823 HydrophobicContact CG2-CD 4.17Å; V561-K823 HydrophobicContact CG2-CG 4.03Å |
| 562 | I | 90.4 | Very high | 89 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -33.1 | 174.9 | -68.4 | 162.7 | 0 | 0 | 0 | 111.6 | S558 F559 G560 S564 T565 Y566 | S558-I562 WeakPolarHBondContact O-CD1 3.49Å; S558-I562 VanDerWaalsContact O-CG1 3.25Å; S558-I562 WeakPolarHBondContact O-CG1 3.3Å; S558-I562 PolarHBondContact O-N 3.07Å; F559-I562 PolarHBondContact O-N 3.1Å; G560-I562 VanDerWaalsContact C-N 3.32Å; G560-I562 PolarHBondContact O-N 3.36Å; I562-S564 VanDerWaalsContact C-N 3.31Å; I562-S564 PolarHBondContact O-N 3.26Å; I562-T565 WeakPolarHBondContact O-CB 3.21Å; I562-T565 PolarHBondContact O-N 2.95Å; I562-Y566 HydrophobicContact CG2-CE2 4.42Å |
| 563 | L | 88.6 | Confident | 88.4 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -31 | 176.9 | -69.9 | 172.4 | 0 | 0 | 0 | 113.1 | F402 F559 G560 V561 T565 Y566 F820 F824 | F402-L563 HydrophobicContact CD2-CD1 3.7Å; F402-L563 HydrophobicContact CD2-CD2 4.41Å; F402-L563 HydrophobicContact CE1-CD2 4.37Å; F402-L563 HydrophobicContact CE2-CD1 3.64Å; F402-L563 HydrophobicContact CE2-CD2 3.55Å; F402-L563 HydrophobicContact CE2-CG 4.27Å; F402-L563 HydrophobicContact CG-CD1 4.37Å; F402-L563 HydrophobicContact CZ-CD1 4.28Å; F402-L563 HydrophobicContact CZ-CD2 3.52Å; F559-L563 HydrophobicContact CD1-CD1 4.4Å; F559-L563 HydrophobicContact CE1-CD1 3.9Å; F559-L563 HydrophobicContact CE1-CG 4.48Å; F559-L563 HydrophobicContact CZ-CD1 4.11Å; F559-L563 HydrophobicContact CZ-CD2 4.23Å; F559-L563 HydrophobicContact CZ-CG 4.28Å; F559-L563 PolarHBondContact O-N 3.43Å; F559-L563 VanDerWaalsContact O-N 3.13Å; G560-L563 WeakPolarHBondContact O-CB 3.37Å; G560-L563 PolarHBondContact O-N 2.78Å; G560-L563 VanDerWaalsContact O-N 3.14Å; V561-L563 VanDerWaalsContact C-N 3.27Å; V561-L563 PolarHBondContact O-N 2.96Å; L563-T565 PolarHBondContact O-N 3.05Å; L563-Y566 HydrophobicContact CD2-CD2 4.41Å; L563-Y566 WeakPolarHBondContact O-CB 3.36Å; L563-Y566 PolarHBondContact O-N 2.9Å; L563-F820 HydrophobicContact CD1-CE1 4.45Å; L563-F820 HydrophobicContact CD1-CE2 4.19Å; L563-F820 HydrophobicContact CD1-CZ 3.59Å; L563-F824 HydrophobicContact CB-CB 4.29Å; L563-F824 HydrophobicContact CB-CD1 4.04Å; L563-F824 HydrophobicContact CB-CD2 4.2Å; L563-F824 HydrophobicContact CB-CE1 4.44Å; L563-F824 HydrophobicContact CB-CG 3.91Å; L563-F824 HydrophobicContact CD1-CD1 4.3Å; L563-F824 HydrophobicContact CD1-CE1 3.88Å; L563-F824 HydrophobicContact CD1-CE2 4.35Å; L563-F824 HydrophobicContact CD1-CZ 3.9Å |
| 564 | S | 85.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -30.6 | 176.7 | 80.4 | 0 | 0 | 0 | 0 | 112.3 | G560 V561 I562 Y566 N567 H568 | G560-S564 PolarHBondContact O-N 3.48Å; V561-S564 PolarHBondContact O-N 2.92Å; V561-S564 PolarHBondContact O-OG 3.32Å; I562-S564 VanDerWaalsContact C-N 3.31Å; I562-S564 PolarHBondContact O-N 3.26Å; S564-Y566 VanDerWaalsContact C-N 3.3Å; S564-Y566 PolarHBondContact O-N 2.77Å; S564-N567 WeakPolarHBondContact O-CB 3.44Å; S564-N567 PolarHBondContact O-N 3.38Å; S564-N567 VanDerWaalsContact O-N 3.13Å; S564-H568 PolarHBondContact O-CD2 2.9Å; S564-H568 VanDerWaalsContact O-CD2 3.29Å; S564-H568 PolarHBondContact O-N 3.48Å |
| 565 | T | 86.1 | Confident | 87.2 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 173.7 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | I562 L563 N567 H568 R569 L577 F581 | I562-T565 WeakPolarHBondContact O-CB 3.21Å; I562-T565 PolarHBondContact O-N 2.95Å; L563-T565 PolarHBondContact O-N 3.05Å; T565-N567 VanDerWaalsContact C-N 3.28Å; T565-N567 PolarHBondContact O-N 2.93Å; T565-H568 PolarHBondContact O-N 2.95Å; T565-R569 VanDerWaalsContact O-CB 3.28Å; T565-R569 WeakPolarHBondContact O-CB 3.18Å; T565-R569 PolarHBondContact O-N 3.48Å; T565-L577 HydrophobicContact CG2-CD1 3.68Å; T565-F581 WeakPolarHBondContact OG1-CD1 3.13Å; T565-F581 WeakPolarHBondContact OG1-CD2 3.45Å; T565-F581 WeakPolarHBondContact OG1-CE1 3.48Å; T565-F581 WeakPolarHBondContact OG1-CE2 3.07Å; T565-F581 VanDerWaalsContact OG1-CG 3.3Å; T565-F581 WeakPolarHBondContact OG1-CG 3.34Å; T565-F581 WeakPolarHBondContact OG1-CZ 3.49Å |
| 566 | Y | 85.6 | Confident | 86.8 | Confident | 135 Ų | 135 | 65.1 Ų | 65.1 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66 | -33.9 | 178.6 | -74 | -86.2 | 0 | 0 | 0 | 111.9 | R6 I562 L563 S564 Y570 | R6-Y566 PolarHBondContact NH2-O 3.05Å; I562-Y566 HydrophobicContact CG2-CE2 4.42Å; L563-Y566 HydrophobicContact CD2-CD2 4.41Å; L563-Y566 WeakPolarHBondContact O-CB 3.36Å; L563-Y566 PolarHBondContact O-N 2.9Å; S564-Y566 VanDerWaalsContact C-N 3.3Å; S564-Y566 PolarHBondContact O-N 2.77Å; Y566-Y570 WeakPolarHBondContact O-CB 3.41Å; Y566-Y570 PolarHBondContact O-N 2.88Å |
| 567 | N | 86.3 | Confident | 86.4 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.053 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.5 | -54.2 | 173.6 | -75.3 | -16.6 | 0 | 0 | 0 | 110.6 | V397 S564 T565 R569 Y570 F571 F824 | V397-N567 WeakPolarHBondContact CB-OD1 3.43Å; V397-N567 WeakPolarHBondContact CG2-OD1 3.31Å; V397-N567 PolarHBondContact N-OD1 3.34Å; S564-N567 WeakPolarHBondContact O-CB 3.44Å; S564-N567 PolarHBondContact O-N 3.38Å; S564-N567 VanDerWaalsContact O-N 3.13Å; T565-N567 VanDerWaalsContact C-N 3.28Å; T565-N567 PolarHBondContact O-N 2.93Å; N567-R569 VanDerWaalsContact C-N 3.33Å; N567-R569 PolarHBondContact O-N 3.06Å; N567-Y570 PolarHBondContact O-N 3.44Å; N567-Y570 VanDerWaalsContact O-N 3.09Å; N567-F571 VanDerWaalsContact O-CD2 3.25Å; N567-F571 WeakPolarHBondContact O-CD2 3.38Å; N567-F571 PolarHBondContact O-N 3.32Å; N567-F824 PolarHBondContact ND2-O 3.45Å |
| 568 | H | 85.1 | Confident | 86.2 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 19% | 0.185 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -39.2 | -178.5 | -63.1 | -40.8 | 0 | 0 | 0 | 113.5 | S564 T565 Y570 R572 K573 | S564-H568 PolarHBondContact O-CD2 2.9Å; S564-H568 VanDerWaalsContact O-CD2 3.29Å; S564-H568 PolarHBondContact O-N 3.48Å; T565-H568 PolarHBondContact O-N 2.95Å; H568-Y570 VanDerWaalsContact C-N 3.29Å; H568-Y570 PolarHBondContact O-N 3.44Å; H568-R572 PolarHBondContact O-N 2.97Å; H568-K573 PolarHBondContact O-N 3.33Å; H568-K573 VanDerWaalsContact O-N 3.17Å |
| 569 | R | 86.5 | Confident | 85.9 | Confident | 205 Ų | 205 | 75 Ų | 75 | 77% | 0.774 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 176.2 | -175.5 | 172.5 | -178.2 | 138 | -0.7 | 111.8 | T565 N567 R572 | T565-R569 VanDerWaalsContact O-CB 3.28Å; T565-R569 WeakPolarHBondContact O-CB 3.18Å; T565-R569 PolarHBondContact O-N 3.48Å; N567-R569 VanDerWaalsContact C-N 3.33Å; N567-R569 PolarHBondContact O-N 3.06Å; R569-R572 PolarHBondContact O-N 3.12Å |
| 570 | Y | 84.9 | Confident | 85.5 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -76.6 | -43.1 | -177.2 | -176.8 | -119.4 | 0 | 0 | 0 | 113.6 | R6 R395 Y566 N567 H568 R572 | R6-Y570 VanDerWaalsContact NH1-CB 3.34Å; R6-Y570 VanDerWaalsContact NH1-CD1 3.34Å; R395-Y570 HydrophobicContact CB-CE1 3.66Å; R395-Y570 PolarHBondContact NE-OH 3.45Å; R395-Y570 PolarHBondContact NH1-OH 3.15Å; R395-Y570 PolarHBondContact NH2-OH 3.1Å; R395-Y570 VanDerWaalsContact NH2-OH 3.11Å; R395-Y570 WeakPolarHBondContact O-CE1 3.44Å; Y566-Y570 WeakPolarHBondContact O-CB 3.41Å; Y566-Y570 PolarHBondContact O-N 2.88Å; N567-Y570 PolarHBondContact O-N 3.44Å; N567-Y570 VanDerWaalsContact O-N 3.09Å; H568-Y570 VanDerWaalsContact C-N 3.29Å; H568-Y570 PolarHBondContact O-N 3.44Å; Y570-R572 PolarHBondContact O-N 3.42Å; Y570-R572 VanDerWaalsContact O-N 3.14Å |
| 571 | F | 84.9 | Confident | 85.5 | Confident | 94 Ų | 94 | 73.5 Ų | 73.5 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 2.8 | 172 | -68.2 | -68.9 | 0 | 0 | 0 | 113 | Y394 N567 K573 | Y394-F571 WeakPolarHBondContact O-CZ 3.29Å; N567-F571 VanDerWaalsContact O-CD2 3.25Å; N567-F571 WeakPolarHBondContact O-CD2 3.38Å; N567-F571 PolarHBondContact O-N 3.32Å; F571-K573 HydrophobicContact CB-CG 4.42Å; F571-K573 PolarHBondContact O-N 2.98Å; F571-K573 VanDerWaalsContact O-N 3.11Å |
| 572 | R | 82 | Confident | 85.4 | Confident | 220 Ų | 220 | 77.1 Ų | 77.1 | 83% | 0.83 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 22.4 | 178.9 | -60.9 | -178.4 | 175.1 | 177.9 | -0.9 | 114.3 | H568 R569 Y570 R574 | H568-R572 PolarHBondContact O-N 2.97Å; R569-R572 PolarHBondContact O-N 3.12Å; Y570-R572 PolarHBondContact O-N 3.42Å; Y570-R572 VanDerWaalsContact O-N 3.14Å; R572-R574 PolarHBondContact O-N 2.88Å; R572-R574 VanDerWaalsContact O-N 3.09Å |
| 573 | K | 81.3 | Confident | 85.5 | Confident | 100 Ų | 100 | 74 Ų | 74 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | trans | -83.8 | 77.9 | 176.1 | -66.2 | -174.8 | 179.8 | -179 | 0 | 110.4 | H568 F571 Y575 N576 | H568-K573 PolarHBondContact O-N 3.33Å; H568-K573 VanDerWaalsContact O-N 3.17Å; F571-K573 HydrophobicContact CB-CG 4.42Å; F571-K573 PolarHBondContact O-N 2.98Å; F571-K573 VanDerWaalsContact O-N 3.11Å; K573-Y575 VanDerWaalsContact C-N 3.29Å; K573-Y575 HydrophobicContact CB-CD1 4.46Å; K573-Y575 HydrophobicContact CB-CE1 3.94Å; K573-Y575 HydrophobicContact CG-CE1 4.18Å; K573-Y575 PolarHBondContact O-N 3.12Å; K573-N576 HydrophobicContact CB-CB 4.48Å; K573-N576 PolarHBondContact O-N 3.25Å | ||
| 574 | R | 80.3 | Confident | 85.6 | Confident | 206 Ų | 206 | 74.1 Ų | 74.1 | 78% | 0.777 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.2 | -30.8 | -175.6 | -65.6 | -172.2 | -178.1 | 179.3 | 1.3 | 114 | R572 L577 Y578 | R572-R574 PolarHBondContact O-N 2.88Å; R572-R574 VanDerWaalsContact O-N 3.09Å; R574-L577 WeakPolarHBondContact O-CB 3.33Å; R574-L577 PolarHBondContact O-N 3.02Å; R574-Y578 WeakPolarHBondContact O-CD2 3.49Å |
| 575 | Y | 82.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.2 | -38.5 | -178.8 | 66.4 | -84.2 | 0 | 0 | 0 | 112.4 | K573 L577 Y578 L579 K661 Y664 L665 | K573-Y575 VanDerWaalsContact C-N 3.29Å; K573-Y575 HydrophobicContact CB-CD1 4.46Å; K573-Y575 HydrophobicContact CB-CE1 3.94Å; K573-Y575 HydrophobicContact CG-CE1 4.18Å; K573-Y575 PolarHBondContact O-N 3.12Å; Y575-L577 PolarHBondContact O-N 3.38Å; Y575-Y578 PolarHBondContact O-N 3Å; Y575-L579 WeakPolarHBondContact O-CB 3.31Å; Y575-L579 WeakPolarHBondContact O-CG 3.2Å; Y575-L579 PolarHBondContact O-N 3.43Å; Y575-K661 HydrophobicContact CE2-CG 4.21Å; Y575-Y664 VanDerWaalsContact CB-CE1 3.43Å; Y575-Y664 HydrophobicContact CD1-CE1 4.06Å; Y575-Y664 AromaticContact CD2-CD1 3.93Å; Y575-Y664 HydrophobicContact CD2-CD1 3.93Å; Y575-Y664 HydrophobicContact CD2-CE1 4.19Å; Y575-Y664 AromaticContact CG-CD1 3.85Å; Y575-Y664 HydrophobicContact CG-CD1 3.85Å; Y575-Y664 AromaticContact CG-CE1 3.64Å; Y575-Y664 HydrophobicContact CG-CE1 3.64Å; Y575-L665 HydrophobicContact CE2-CD2 4.39Å |
| 576 | N | 84.4 | Confident | 86.1 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 8% | 0.075 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -30.9 | 175.8 | -76.3 | -7.8 | 0 | 0 | 0 | 112.6 | K573 Y578 V580 F581 | K573-N576 HydrophobicContact CB-CB 4.48Å; K573-N576 PolarHBondContact O-N 3.25Å; N576-Y578 PolarHBondContact O-N 2.98Å; N576-V580 WeakPolarHBondContact O-CA 3.34Å; N576-V580 WeakPolarHBondContact O-CB 3.17Å; N576-V580 PolarHBondContact O-N 3.2Å; N576-F581 PolarHBondContact O-N 3.28Å; N576-F581 VanDerWaalsContact O-N 3.14Å |
| 577 | L | 85 | Confident | 86.4 | Confident | 48 Ų | 48 | 71.6 Ų | 71.6 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -62.8 | -42.8 | 178.1 | -174.1 | 68.5 | 0 | 0 | 0 | 112 | T565 R574 Y575 F581 L582 | T565-L577 HydrophobicContact CG2-CD1 3.68Å; R574-L577 WeakPolarHBondContact O-CB 3.33Å; R574-L577 PolarHBondContact O-N 3.02Å; Y575-L577 PolarHBondContact O-N 3.38Å; L577-F581 HydrophobicContact CD1-CB 4.44Å; L577-F581 HydrophobicContact CD1-CD1 3.77Å; L577-F581 HydrophobicContact CD1-CE1 4.39Å; L577-F581 HydrophobicContact CD1-CG 4.27Å; L577-L582 PolarHBondContact O-N 3.42Å |
| 578 | Y | 86.4 | Confident | 86.6 | Confident | 159 Ų | 159 | 71.2 Ų | 71.2 | 62% | 0.624 | 30% | 0.301 | S | S | * | . | I | π-helix | trans | -86.2 | -34.7 | -177.6 | -66.7 | -72.8 | 0 | 0 | 0 | 113.1 | R574 Y575 N576 P583 | R574-Y578 WeakPolarHBondContact O-CD2 3.49Å; Y575-Y578 PolarHBondContact O-N 3Å; N576-Y578 PolarHBondContact O-N 2.98Å; Y578-P583 WeakPolarHBondContact O-CD 3.47Å |
| 579 | L | 85.7 | Confident | 86.9 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -95.4 | -19.9 | -171.4 | -61.8 | 171.3 | 0 | 0 | 0 | 113.9 | Y575 Y664 | Y575-L579 WeakPolarHBondContact O-CB 3.31Å; Y575-L579 WeakPolarHBondContact O-CG 3.2Å; Y575-L579 PolarHBondContact O-N 3.43Å; L579-Y664 HydrophobicContact CD1-CD2 4.41Å; L579-Y664 HydrophobicContact CD1-CG 3.98Å |
| 580 | V | 84 | Confident | 87.1 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -116 | -62.4 | -178.6 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | N576 L582 P583 E584 L657 | N576-V580 WeakPolarHBondContact O-CA 3.34Å; N576-V580 WeakPolarHBondContact O-CB 3.17Å; N576-V580 PolarHBondContact O-N 3.2Å; V580-L582 PolarHBondContact O-N 2.7Å; V580-P583 WeakPolarHBondContact O-CD 3.37Å; V580-E584 WeakPolarHBondContact CG1-OE1 3.43Å; V580-E584 WeakPolarHBondContact O-CB 2.98Å; V580-E584 VanDerWaalsContact O-CG 3.26Å; V580-E584 WeakPolarHBondContact O-CG 3.4Å; V580-E584 PolarHBondContact O-N 3.24Å; V580-E584 VanDerWaalsContact O-N 3.15Å; V580-L657 HydrophobicContact CB-CD1 4.32Å; V580-L657 HydrophobicContact CG1-CD1 4.07Å |
| 581 | F | 89 | Confident | 87.4 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -62.3 | -46.4 | -175.1 | 163.6 | -99.1 | 0 | 0 | 0 | 114 | V561 T565 N576 L577 E584 L585 | V561-F581 HydrophobicContact CG1-CD2 3.9Å; V561-F581 HydrophobicContact CG1-CE2 3.88Å; V561-F581 WeakPolarHBondContact O-CD2 3.37Å; V561-F581 VanDerWaalsContact O-CE2 3.28Å; V561-F581 WeakPolarHBondContact O-CE2 3.27Å; T565-F581 WeakPolarHBondContact OG1-CD1 3.13Å; T565-F581 WeakPolarHBondContact OG1-CD2 3.45Å; T565-F581 WeakPolarHBondContact OG1-CE1 3.48Å; T565-F581 WeakPolarHBondContact OG1-CE2 3.07Å; T565-F581 VanDerWaalsContact OG1-CG 3.3Å; T565-F581 WeakPolarHBondContact OG1-CG 3.34Å; T565-F581 WeakPolarHBondContact OG1-CZ 3.49Å; N576-F581 PolarHBondContact O-N 3.28Å; N576-F581 VanDerWaalsContact O-N 3.14Å; L577-F581 HydrophobicContact CD1-CB 4.44Å; L577-F581 HydrophobicContact CD1-CD1 3.77Å; L577-F581 HydrophobicContact CD1-CE1 4.39Å; L577-F581 HydrophobicContact CD1-CG 4.27Å; F581-E584 PolarHBondContact O-N 2.76Å; F581-L585 HydrophobicContact CE1-CD2 4.25Å; F581-L585 HydrophobicContact CE2-CB 4.36Å; F581-L585 HydrophobicContact CE2-CD2 4.34Å; F581-L585 HydrophobicContact CZ-CB 4.4Å; F581-L585 HydrophobicContact CZ-CD2 3.72Å; F581-L585 WeakPolarHBondContact O-CB 3.31Å; F581-L585 PolarHBondContact O-N 3.36Å |
| 582 | L | 89.6 | Confident | 87.6 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 40% | 0.398 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.5 | -48 | -176.1 | 179.7 | 71.2 | 0 | 0 | 0 | 112.2 | L577 V580 E584 L585 L586 | L577-L582 PolarHBondContact O-N 3.42Å; V580-L582 PolarHBondContact O-N 2.7Å; L582-E584 VanDerWaalsContact C-N 3.35Å; L582-E584 PolarHBondContact O-N 3.46Å; L582-L585 PolarHBondContact O-N 3.39Å; L582-L586 HydrophobicContact CD1-CD1 4.15Å; L582-L586 HydrophobicContact CD1-CG 4.23Å; L582-L586 HydrophobicContact CG-CD1 4.01Å; L582-L586 HydrophobicContact CG-CG 4.46Å; L582-L586 WeakPolarHBondContact O-CB 3.41Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.17Å |
| 583 | P | 90.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.045 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -43.6 | 171.9 | -28 | 35.6 | 0 | 0 | 0 | 113.5 | Y578 V580 L586 F587 V656 L657 | Y578-P583 WeakPolarHBondContact O-CD 3.47Å; V580-P583 WeakPolarHBondContact O-CD 3.37Å; P583-L586 PolarHBondContact O-N 3.4Å; P583-F587 VanDerWaalsContact O-CB 3.27Å; P583-F587 WeakPolarHBondContact O-CB 3.31Å; P583-F587 PolarHBondContact O-N 2.84Å; P583-V656 HydrophobicContact CG-CB 4.32Å; P583-V656 HydrophobicContact CG-CG1 3.7Å; P583-L657 HydrophobicContact CB-CB 4.17Å; P583-L657 HydrophobicContact CB-CD1 4.49Å |
| 584 | E | 90.6 | Very high | 88.5 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 179 | -80.1 | 179.8 | -168.2 | 0 | 0 | 113.1 | V561 V580 F581 L582 L588 L657 H733 Y737 | V561-E584 HydrophobicContact CG1-CB 4.42Å; V580-E584 WeakPolarHBondContact CG1-OE1 3.43Å; V580-E584 WeakPolarHBondContact O-CB 2.98Å; V580-E584 VanDerWaalsContact O-CG 3.26Å; V580-E584 WeakPolarHBondContact O-CG 3.4Å; V580-E584 PolarHBondContact O-N 3.24Å; V580-E584 VanDerWaalsContact O-N 3.15Å; F581-E584 PolarHBondContact O-N 2.76Å; L582-E584 VanDerWaalsContact C-N 3.35Å; L582-E584 PolarHBondContact O-N 3.46Å; E584-L588 PolarHBondContact O-N 3.03Å; E584-L588 VanDerWaalsContact O-N 3.14Å; E584-L657 HydrophobicContact CG-CD1 4.16Å; E584-L657 HydrophobicContact CG-CD2 4.14Å; E584-H733 IonicContact OE1-CE1 2.99Å; E584-H733 PolarHBondContact OE1-CE1 2.87Å; E584-Y737 VanDerWaalsContact C-OH 3.28Å; E584-Y737 HydrophobicContact CB-CE1 3.84Å; E584-Y737 HydrophobicContact CB-CE2 3.93Å; E584-Y737 VanDerWaalsContact CB-CZ 3.46Å; E584-Y737 WeakPolarHBondContact CB-OH 3.35Å; E584-Y737 HydrophobicContact CG-CD1 3.99Å; E584-Y737 HydrophobicContact CG-CD2 3.96Å; E584-Y737 HydrophobicContact CG-CE1 3.68Å; E584-Y737 HydrophobicContact CG-CE2 3.64Å; E584-Y737 HydrophobicContact CG-CG 4.14Å; E584-Y737 PolarHBondContact O-OH 3.26Å |
| 585 | L | 91.7 | Very high | 89 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 179.1 | -177.4 | 68.7 | 0 | 0 | 0 | 111 | V561 F581 L582 L588 L589 | V561-L585 HydrophobicContact CG1-CB 4.26Å; V561-L585 HydrophobicContact CG1-CD1 4.35Å; F581-L585 HydrophobicContact CE1-CD2 4.25Å; F581-L585 HydrophobicContact CE2-CB 4.36Å; F581-L585 HydrophobicContact CE2-CD2 4.34Å; F581-L585 HydrophobicContact CZ-CB 4.4Å; F581-L585 HydrophobicContact CZ-CD2 3.72Å; F581-L585 WeakPolarHBondContact O-CB 3.31Å; F581-L585 PolarHBondContact O-N 3.36Å; L582-L585 PolarHBondContact O-N 3.39Å; L585-L588 PolarHBondContact O-N 3.38Å; L585-L589 HydrophobicContact CD1-CD1 3.82Å; L585-L589 HydrophobicContact CD1-CG 4.04Å; L585-L589 HydrophobicContact CD2-CD1 4.31Å; L585-L589 HydrophobicContact CG-CD1 3.78Å; L585-L589 HydrophobicContact CG-CG 4.28Å; L585-L589 WeakPolarHBondContact O-CB 3.24Å; L585-L589 WeakPolarHBondContact O-CG 3.43Å; L585-L589 PolarHBondContact O-N 3.11Å |
| 586 | L | 91.4 | Very high | 89.5 | Confident | 68 Ų | 68 | 32.8 Ų | 32.8 | 36% | 0.356 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 177.8 | -74.6 | 176.6 | 0 | 0 | 0 | 111.1 | L582 P583 L588 L589 C590 | L582-L586 HydrophobicContact CD1-CD1 4.15Å; L582-L586 HydrophobicContact CD1-CG 4.23Å; L582-L586 HydrophobicContact CG-CD1 4.01Å; L582-L586 HydrophobicContact CG-CG 4.46Å; L582-L586 WeakPolarHBondContact O-CB 3.41Å; L582-L586 VanDerWaalsContact O-CG 3.28Å; L582-L586 WeakPolarHBondContact O-CG 3.43Å; L582-L586 PolarHBondContact O-N 3.17Å; P583-L586 PolarHBondContact O-N 3.4Å; L586-L588 PolarHBondContact O-N 2.99Å; L586-L589 PolarHBondContact O-N 2.57Å; L586-C590 WeakPolarHBondContact O-CB 3.43Å; L586-C590 PolarHBondContact O-N 3.16Å; L586-C590 PolarHBondContact O-SG 3.12Å |
| 587 | F | 92.6 | Very high | 89.9 | Confident | 20 Ų | 20 | 37 Ų | 37 | 9% | 0.088 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 177.1 | -177.3 | -98.6 | 0 | 0 | 0 | 111.9 | P583 L591 A650 V654 Y737 C738 C741 | P583-F587 VanDerWaalsContact O-CB 3.27Å; P583-F587 WeakPolarHBondContact O-CB 3.31Å; P583-F587 PolarHBondContact O-N 2.84Å; F587-L591 HydrophobicContact CD2-CD1 4.42Å; F587-L591 HydrophobicContact CE1-CD1 4.26Å; F587-L591 HydrophobicContact CE2-CD1 3.91Å; F587-L591 HydrophobicContact CZ-CD1 3.82Å; F587-L591 PolarHBondContact O-N 3.11Å; F587-A650 HydrophobicContact CD2-CB 4.24Å; F587-V654 HydrophobicContact CD2-CG2 4.33Å; F587-V654 HydrophobicContact CE2-CG2 4.16Å; F587-Y737 HydrophobicContact CD1-CE1 4.11Å; F587-C738 HydrophobicContact CE1-CB 4.39Å; F587-C738 HydrophobicContact CZ-CB 4.22Å; F587-C741 HydrophobicContact CD1-CB 4.44Å; F587-C741 HydrophobicContact CE1-CB 4.04Å |
| 588 | L | 91 | Very high | 90.1 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | -180 | -176.6 | 71.8 | 0 | 0 | 0 | 112.2 | M557 V561 E584 L585 L586 F592 G593 C741 | M557-L588 HydrophobicContact CB-CD2 4.32Å; V561-L588 HydrophobicContact CG2-CD2 4.41Å; E584-L588 PolarHBondContact O-N 3.03Å; E584-L588 VanDerWaalsContact O-N 3.14Å; L585-L588 PolarHBondContact O-N 3.38Å; L586-L588 PolarHBondContact O-N 2.99Å; L588-F592 HydrophobicContact CD1-CD2 4.12Å; L588-F592 PolarHBondContact O-N 3.05Å; L588-G593 PolarHBondContact O-N 3.34Å; L588-C741 HydrophobicContact CD1-CB 4.47Å |
| 589 | L | 90.9 | Very high | 90.3 | Very high | 75 Ų | 75 | 27.5 Ų | 27.5 | 39% | 0.393 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -71.4 | -37.5 | -176.3 | -69.6 | -179.4 | 0 | 0 | 0 | 112.6 | L585 L586 L591 G593 Y594 | L585-L589 HydrophobicContact CD1-CD1 3.82Å; L585-L589 HydrophobicContact CD1-CG 4.04Å; L585-L589 HydrophobicContact CD2-CD1 4.31Å; L585-L589 HydrophobicContact CG-CD1 3.78Å; L585-L589 HydrophobicContact CG-CG 4.28Å; L585-L589 WeakPolarHBondContact O-CB 3.24Å; L585-L589 WeakPolarHBondContact O-CG 3.43Å; L585-L589 PolarHBondContact O-N 3.11Å; L586-L589 PolarHBondContact O-N 2.57Å; L589-L591 VanDerWaalsContact C-N 3.33Å; L589-L591 PolarHBondContact O-N 2.88Å; L589-G593 CarbonylContact O-C 3.43Å; L589-G593 WeakPolarHBondContact O-CA 3.16Å; L589-G593 PolarHBondContact O-N 3.49Å; L589-G593 VanDerWaalsContact O-N 3.1Å; L589-Y594 PolarHBondContact O-N 2.9Å; L589-Y594 VanDerWaalsContact O-N 3.15Å |
| 590 | C | 91.2 | Very high | 90.6 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 9% | 0.088 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -65.3 | -36.4 | -179.7 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | L586 Y594 L646 A650 | L586-C590 WeakPolarHBondContact O-CB 3.43Å; L586-C590 PolarHBondContact O-N 3.16Å; L586-C590 PolarHBondContact O-SG 3.12Å; C590-Y594 VanDerWaalsContact O-CB 3.27Å; C590-Y594 WeakPolarHBondContact O-CB 3.42Å; C590-L646 HydrophobicContact CB-CB 4.47Å; C590-L646 HydrophobicContact CB-CD2 4.13Å; C590-A650 HydrophobicContact CB-CB 4.46Å |
| 591 | L | 89.6 | Confident | 90.9 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -89.5 | -63.7 | -179.7 | -59.8 | -179 | 0 | 0 | 0 | 111.8 | F587 L589 L595 M624 F625 A650 | F587-L591 HydrophobicContact CD2-CD1 4.42Å; F587-L591 HydrophobicContact CE1-CD1 4.26Å; F587-L591 HydrophobicContact CE2-CD1 3.91Å; F587-L591 HydrophobicContact CZ-CD1 3.82Å; F587-L591 PolarHBondContact O-N 3.11Å; L589-L591 VanDerWaalsContact C-N 3.33Å; L589-L591 PolarHBondContact O-N 2.88Å; L591-L595 PolarHBondContact O-N 2.96Å; L591-M624 HydrophobicContact CD2-CE 4.21Å; L591-F625 HydrophobicContact CB-CZ 4.45Å; L591-F625 HydrophobicContact CD1-CE1 4.07Å; L591-F625 HydrophobicContact CD1-CZ 3.98Å; L591-F625 HydrophobicContact CD2-CE1 3.68Å; L591-F625 HydrophobicContact CD2-CZ 3.63Å; L591-F625 HydrophobicContact CG-CE1 4.47Å; L591-F625 HydrophobicContact CG-CZ 4.22Å; L591-A650 HydrophobicContact CD1-CB 4.41Å; L591-A650 HydrophobicContact CD2-CB 3.91Å; L591-A650 HydrophobicContact CG-CB 4.09Å |
| 592 | F | 90.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -87.7 | -29.3 | -171.2 | -65 | -70.7 | 0 | 0 | 0 | 112.9 | V554 L588 Y594 L595 V596 F621 C741 I742 T745 | V554-F592 HydrophobicContact CG1-CB 4.19Å; V554-F592 HydrophobicContact CG2-CB 3.78Å; L588-F592 HydrophobicContact CD1-CD2 4.12Å; L588-F592 PolarHBondContact O-N 3.05Å; F592-Y594 VanDerWaalsContact C-N 3.28Å; F592-Y594 PolarHBondContact O-N 3.47Å; F592-L595 HydrophobicContact CD1-CD2 4.38Å; F592-L595 WeakPolarHBondContact O-CB 3.25Å; F592-L595 PolarHBondContact O-N 3.37Å; F592-V596 PolarHBondContact O-N 3.35Å; F592-F621 HydrophobicContact CD1-CZ 4.25Å; F592-F621 HydrophobicContact CE1-CZ 4.02Å; F592-C741 HydrophobicContact CE2-CB 4.4Å; F592-I742 HydrophobicContact CE2-CG1 4.3Å; F592-I742 HydrophobicContact CZ-CB 4.35Å; F592-I742 HydrophobicContact CZ-CG1 4.05Å; F592-T745 HydrophobicContact CD1-CG2 3.64Å; F592-T745 HydrophobicContact CE1-CG2 3.8Å; F592-T745 HydrophobicContact CG-CG2 4.23Å |
| 593 | G | 91.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 21% | 0.206 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -62.2 | -38.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L588 L589 V596 F597 | L588-G593 PolarHBondContact O-N 3.34Å; L589-G593 CarbonylContact O-C 3.43Å; L589-G593 WeakPolarHBondContact O-CA 3.16Å; L589-G593 PolarHBondContact O-N 3.49Å; L589-G593 VanDerWaalsContact O-N 3.1Å; G593-V596 PolarHBondContact O-N 3.29Å; G593-F597 PolarHBondContact O-N 2.9Å |
| 594 | Y | 91.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 172.9 | -177.8 | -113.3 | 0 | 0 | 0 | 112.9 | L589 C590 F592 V596 F597 M598 M624 Y636 L642 Q643 L646 | L589-Y594 PolarHBondContact O-N 2.9Å; L589-Y594 VanDerWaalsContact O-N 3.15Å; C590-Y594 VanDerWaalsContact O-CB 3.27Å; C590-Y594 WeakPolarHBondContact O-CB 3.42Å; F592-Y594 VanDerWaalsContact C-N 3.28Å; F592-Y594 PolarHBondContact O-N 3.47Å; Y594-V596 VanDerWaalsContact C-N 3.33Å; Y594-V596 PolarHBondContact O-N 3.04Å; Y594-F597 HydrophobicContact CD2-CD1 4.02Å; Y594-F597 AromaticContact CE2-CD1 3.89Å; Y594-F597 HydrophobicContact CE2-CD1 3.89Å; Y594-F597 HydrophobicContact CE2-CE1 4.37Å; Y594-F597 WeakPolarHBondContact O-CB 3.43Å; Y594-F597 PolarHBondContact O-N 3.39Å; Y594-M598 HydrophobicContact CD1-CE 3.48Å; Y594-M598 VanDerWaalsContact CD1-CE 3.48Å; Y594-M598 HydrophobicContact CD1-CG 4.41Å; Y594-M598 HydrophobicContact CD1-SD 4.2Å; Y594-M598 HydrophobicContact CE1-CE 3.34Å; Y594-M598 HydrophobicContact CE1-CG 3.91Å; Y594-M598 HydrophobicContact CE1-SD 3.48Å; Y594-M598 WeakPolarHBondContact CE1-SD 3.29Å; Y594-M598 HydrophobicContact CE2-CG 4.24Å; Y594-M598 HydrophobicContact CG-CE 4.44Å; Y594-M598 PolarHBondContact O-N 3.49Å; Y594-M624 HydrophobicContact CD1-SD 3.77Å; Y594-M624 HydrophobicContact CE1-SD 3.99Å; Y594-Y636 PolarHBondContact OH-OH 3.46Å; Y594-L642 HydrophobicContact CD2-CD2 3.95Å; Y594-L642 HydrophobicContact CE2-CD2 3.5Å; Y594-Q643 HydrophobicContact CE1-CG 3.87Å; Y594-L646 HydrophobicContact CD1-CD1 4.1Å; Y594-L646 HydrophobicContact CD2-CD1 3.57Å; Y594-L646 HydrophobicContact CE2-CD1 4.2Å; Y594-L646 HydrophobicContact CG-CD1 3.53Å |
| 595 | L | 90.6 | Very high | 90.2 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 172 | 179.6 | 63.7 | 0 | 0 | 0 | 111.8 | V550 L591 F592 F597 M598 I599 I617 F621 | V550-L595 HydrophobicContact CG1-CD2 3.91Å; L591-L595 PolarHBondContact O-N 2.96Å; F592-L595 HydrophobicContact CD1-CD2 4.38Å; F592-L595 WeakPolarHBondContact O-CB 3.25Å; F592-L595 PolarHBondContact O-N 3.37Å; L595-F597 VanDerWaalsContact C-N 3.35Å; L595-M598 HydrophobicContact CD1-CE 4.23Å; L595-M598 PolarHBondContact O-N 2.95Å; L595-I599 WeakPolarHBondContact O-CG1 3.3Å; L595-I599 PolarHBondContact O-N 3Å; L595-I599 VanDerWaalsContact O-N 3.12Å; L595-I617 HydrophobicContact CD1-CG2 3.63Å; L595-F621 HydrophobicContact CB-CD2 4.27Å; L595-F621 HydrophobicContact CB-CE2 4.05Å; L595-F621 HydrophobicContact CD1-CB 4.43Å; L595-F621 HydrophobicContact CD1-CD2 4.04Å; L595-F621 HydrophobicContact CD1-CG 4.22Å; L595-F621 HydrophobicContact CD2-CE2 4.46Å; L595-F621 HydrophobicContact CD2-CZ 4.46Å |
| 596 | V | 92.3 | Very high | 89.7 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | I551 V554 F592 G593 Y594 M598 I599 F600 | I551-V596 HydrophobicContact CG1-CG1 4.22Å; I551-V596 HydrophobicContact CG1-CG2 4.36Å; I551-V596 HydrophobicContact CG2-CG1 4.5Å; V554-V596 HydrophobicContact CB-CG2 3.87Å; V554-V596 HydrophobicContact CG1-CG2 4.01Å; V554-V596 HydrophobicContact CG2-CG2 4.07Å; F592-V596 PolarHBondContact O-N 3.35Å; G593-V596 PolarHBondContact O-N 3.29Å; Y594-V596 VanDerWaalsContact C-N 3.33Å; Y594-V596 PolarHBondContact O-N 3.04Å; V596-M598 PolarHBondContact O-N 3.43Å; V596-I599 WeakPolarHBondContact O-CB 3.39Å; V596-I599 PolarHBondContact O-N 2.86Å; V596-F600 HydrophobicContact CG1-CD2 3.74Å; V596-F600 HydrophobicContact CG1-CE2 3.6Å; V596-F600 WeakPolarHBondContact O-CD2 3.46Å; V596-F600 PolarHBondContact O-N 3.48Å; V596-F600 VanDerWaalsContact O-N 3.11Å |
| 597 | F | 92.1 | Very high | 89.1 | Confident | 102 Ų | 102 | 46.2 Ų | 46.2 | 45% | 0.447 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 174.7 | 173.6 | -99.7 | 0 | 0 | 0 | 112.2 | G593 Y594 L595 I599 F600 Y601 Y636 | G593-F597 PolarHBondContact O-N 2.9Å; Y594-F597 HydrophobicContact CD2-CD1 4.02Å; Y594-F597 AromaticContact CE2-CD1 3.89Å; Y594-F597 HydrophobicContact CE2-CD1 3.89Å; Y594-F597 HydrophobicContact CE2-CE1 4.37Å; Y594-F597 WeakPolarHBondContact O-CB 3.43Å; Y594-F597 PolarHBondContact O-N 3.39Å; L595-F597 VanDerWaalsContact C-N 3.35Å; F597-I599 VanDerWaalsContact C-N 3.29Å; F597-I599 PolarHBondContact O-N 3.35Å; F597-F600 PolarHBondContact O-N 2.91Å; F597-Y601 HydrophobicContact CZ-CD2 4.36Å; F597-Y601 VanDerWaalsContact O-CB 3.31Å; F597-Y601 WeakPolarHBondContact O-CB 3.43Å; F597-Y601 PolarHBondContact O-N 2.88Å; F597-Y636 HydrophobicContact CE1-CE1 4.32Å |
| 598 | M | 89.5 | Confident | 88.2 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -35.9 | 176.3 | -74.2 | -169.3 | -77.5 | 0 | 0 | 112.7 | Y594 L595 V596 K602 I617 F621 L635 | Y594-M598 HydrophobicContact CD1-CE 3.48Å; Y594-M598 VanDerWaalsContact CD1-CE 3.48Å; Y594-M598 HydrophobicContact CD1-CG 4.41Å; Y594-M598 HydrophobicContact CD1-SD 4.2Å; Y594-M598 HydrophobicContact CE1-CE 3.34Å; Y594-M598 HydrophobicContact CE1-CG 3.91Å; Y594-M598 HydrophobicContact CE1-SD 3.48Å; Y594-M598 WeakPolarHBondContact CE1-SD 3.29Å; Y594-M598 HydrophobicContact CE2-CG 4.24Å; Y594-M598 HydrophobicContact CG-CE 4.44Å; Y594-M598 PolarHBondContact O-N 3.49Å; L595-M598 HydrophobicContact CD1-CE 4.23Å; L595-M598 PolarHBondContact O-N 2.95Å; V596-M598 PolarHBondContact O-N 3.43Å; M598-K602 WeakPolarHBondContact O-CB 3.47Å; M598-K602 PolarHBondContact O-N 2.82Å; M598-I617 HydrophobicContact CB-CG2 4.33Å; M598-F621 HydrophobicContact CE-CD2 4.12Å; M598-L635 HydrophobicContact CB-CD2 4.38Å; M598-L635 HydrophobicContact CG-CD2 4.24Å |
| 599 | I | 91.4 | Very high | 87.4 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -51.6 | 176.6 | -66.9 | 165.7 | 0 | 0 | 0 | 110.7 | K547 V550 I551 L595 V596 F597 K602 W603 I617 | K547-I599 HydrophobicContact CB-CD1 4.44Å; K547-I599 HydrophobicContact CB-CG2 4.06Å; K547-I599 HydrophobicContact CD-CG2 4.08Å; K547-I599 HydrophobicContact CG-CD1 4.4Å; K547-I599 HydrophobicContact CG-CG1 4.47Å; K547-I599 HydrophobicContact CG-CG2 4.2Å; V550-I599 HydrophobicContact CG1-CD1 4.4Å; I551-I599 HydrophobicContact CD1-CG2 3.87Å; I551-I599 HydrophobicContact CG1-CD1 4.35Å; L595-I599 WeakPolarHBondContact O-CG1 3.3Å; L595-I599 PolarHBondContact O-N 3Å; L595-I599 VanDerWaalsContact O-N 3.12Å; V596-I599 WeakPolarHBondContact O-CB 3.39Å; V596-I599 PolarHBondContact O-N 2.86Å; F597-I599 VanDerWaalsContact C-N 3.29Å; F597-I599 PolarHBondContact O-N 3.35Å; I599-K602 PolarHBondContact O-N 3.27Å; I599-W603 HydrophobicContact CG2-CD2 4.09Å; I599-W603 HydrophobicContact CG2-CE3 4.03Å; I599-W603 HydrophobicContact CG2-CH2 3.94Å; I599-W603 HydrophobicContact CG2-CZ2 3.99Å; I599-W603 HydrophobicContact CG2-CZ3 3.96Å; I599-W603 PolarHBondContact O-N 3Å; I599-W603 VanDerWaalsContact O-N 3.1Å; I599-I617 HydrophobicContact CG1-CD1 4.02Å |
| 600 | F | 91.8 | Very high | 86.6 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 179.3 | -79.7 | -67.3 | 0 | 0 | 0 | 112 | I551 V596 F597 K602 W603 L604 | I551-F600 HydrophobicContact CD1-CE2 4.07Å; I551-F600 HydrophobicContact CD1-CZ 3.99Å; I551-F600 HydrophobicContact CG1-CE2 4.36Å; I551-F600 HydrophobicContact CG2-CE2 4.17Å; I551-F600 HydrophobicContact CG2-CZ 4.18Å; V596-F600 HydrophobicContact CG1-CD2 3.74Å; V596-F600 HydrophobicContact CG1-CE2 3.6Å; V596-F600 WeakPolarHBondContact O-CD2 3.46Å; V596-F600 PolarHBondContact O-N 3.48Å; V596-F600 VanDerWaalsContact O-N 3.11Å; F597-F600 PolarHBondContact O-N 2.91Å; F600-K602 VanDerWaalsContact C-N 3.31Å; F600-K602 PolarHBondContact O-N 2.77Å; F600-W603 AromaticContact CD1-CE3 3.96Å; F600-W603 HydrophobicContact CD1-CE3 3.96Å; F600-W603 HydrophobicContact CD1-CZ3 4.24Å; F600-W603 HydrophobicContact CE1-CE3 4.2Å; F600-W603 HydrophobicContact CE1-CZ3 4.05Å; F600-W603 PolarHBondContact O-N 3.17Å; F600-W603 VanDerWaalsContact O-N 3.16Å; F600-L604 WeakPolarHBondContact O-CG 3.11Å; F600-L604 PolarHBondContact O-N 2.94Å; F600-L604 VanDerWaalsContact O-N 3.1Å |
| 601 | Y | 89.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 176.8 | -175.1 | -86 | 0 | 0 | 0 | 111.4 | F597 W603 L604 V605 L635 Y636 | F597-Y601 HydrophobicContact CZ-CD2 4.36Å; F597-Y601 VanDerWaalsContact O-CB 3.31Å; F597-Y601 WeakPolarHBondContact O-CB 3.43Å; F597-Y601 PolarHBondContact O-N 2.88Å; Y601-W603 VanDerWaalsContact C-N 3.3Å; Y601-W603 PolarHBondContact O-N 3.45Å; Y601-L604 PolarHBondContact O-N 3.08Å; Y601-V605 HydrophobicContact CD1-CB 4.49Å; Y601-V605 HydrophobicContact CD1-CG2 4.23Å; Y601-V605 HydrophobicContact CD2-CG2 4.16Å; Y601-V605 HydrophobicContact CE1-CB 4.05Å; Y601-V605 HydrophobicContact CE1-CG1 4.29Å; Y601-V605 HydrophobicContact CE1-CG2 3.84Å; Y601-V605 HydrophobicContact CE2-CG2 3.78Å; Y601-V605 HydrophobicContact CG-CG2 4.39Å; Y601-V605 PolarHBondContact O-N 2.95Å; Y601-V605 VanDerWaalsContact O-N 3.07Å; Y601-L635 HydrophobicContact CD1-CD2 3.51Å; Y601-L635 HydrophobicContact CD1-CG 3.63Å; Y601-L635 HydrophobicContact CE1-CB 4.44Å; Y601-L635 HydrophobicContact CE1-CD2 4.12Å; Y601-L635 HydrophobicContact CE1-CG 3.75Å; Y601-L635 WeakPolarHBondContact CE1-O 3.45Å; Y601-L635 HydrophobicContact CG-CD2 4.29Å; Y601-L635 PolarHBondContact OH-O 3.09Å; Y601-L635 VanDerWaalsContact OH-O 3.06Å; Y601-Y636 WeakPolarHBondContact OH-CB 3.39Å |
| 602 | K | 88 | Confident | 85 | Confident | 44 Ų | 44 | 67.2 Ų | 67.2 | 19% | 0.191 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.3 | -39 | 177 | -176.1 | 172.6 | -177.9 | 168.5 | 0 | 112.3 | M598 I599 F600 L604 F606 P615 I617 | M598-K602 WeakPolarHBondContact O-CB 3.47Å; M598-K602 PolarHBondContact O-N 2.82Å; I599-K602 PolarHBondContact O-N 3.27Å; F600-K602 VanDerWaalsContact C-N 3.31Å; F600-K602 PolarHBondContact O-N 2.77Å; K602-L604 VanDerWaalsContact C-N 3.35Å; K602-F606 HydrophobicContact CB-CD2 4.46Å; K602-F606 HydrophobicContact CG-CD2 3.99Å; K602-F606 PolarHBondContact O-N 3Å; K602-P615 PolarHBondContact NZ-O 3.4Å; K602-I617 HydrophobicContact CB-CD1 4.3Å; K602-I617 HydrophobicContact CD-CD1 3.67Å; K602-I617 HydrophobicContact CD-CG1 3.86Å |
| 603 | W | 87.7 | Confident | 84.1 | Confident | 109 Ų | 109 | 72.3 Ų | 72.3 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.4 | -30.4 | 178.1 | -76 | -28 | 0 | 0 | 0 | 113.7 | Y544 K547 I551 I599 F600 Y601 | Y544-W603 HydrophobicContact CD2-CZ2 4.49Å; K547-W603 HydrophobicContact CB-CH2 4.2Å; K547-W603 HydrophobicContact CB-CZ2 3.84Å; K547-W603 HydrophobicContact CD-CZ2 3.87Å; I551-W603 HydrophobicContact CD1-CH2 3.73Å; I551-W603 HydrophobicContact CD1-CZ3 3.64Å; I599-W603 HydrophobicContact CG2-CD2 4.09Å; I599-W603 HydrophobicContact CG2-CE3 4.03Å; I599-W603 HydrophobicContact CG2-CH2 3.94Å; I599-W603 HydrophobicContact CG2-CZ2 3.99Å; I599-W603 HydrophobicContact CG2-CZ3 3.96Å; I599-W603 PolarHBondContact O-N 3Å; I599-W603 VanDerWaalsContact O-N 3.1Å; F600-W603 AromaticContact CD1-CE3 3.96Å; F600-W603 HydrophobicContact CD1-CE3 3.96Å; F600-W603 HydrophobicContact CD1-CZ3 4.24Å; F600-W603 HydrophobicContact CE1-CE3 4.2Å; F600-W603 HydrophobicContact CE1-CZ3 4.05Å; F600-W603 PolarHBondContact O-N 3.17Å; F600-W603 VanDerWaalsContact O-N 3.16Å; Y601-W603 VanDerWaalsContact C-N 3.3Å; Y601-W603 PolarHBondContact O-N 3.45Å |
| 604 | L | 86.6 | Confident | 83.5 | Confident | 146 Ų | 146 | 73.3 Ų | 73.3 | 76% | 0.764 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -87 | -35.8 | -177.2 | -67.2 | 173.3 | 0 | 0 | 0 | 113.6 | F600 Y601 K602 | F600-L604 WeakPolarHBondContact O-CG 3.11Å; F600-L604 PolarHBondContact O-N 2.94Å; F600-L604 VanDerWaalsContact O-N 3.1Å; Y601-L604 PolarHBondContact O-N 3.08Å; K602-L604 VanDerWaalsContact C-N 3.35Å |
| 605 | V | 83.4 | Confident | 82.9 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -96.1 | -38 | -167.9 | 177.7 | 0 | 0 | 0 | 0 | 113.3 | Y601 T607 | Y601-V605 HydrophobicContact CD1-CB 4.49Å; Y601-V605 HydrophobicContact CD1-CG2 4.23Å; Y601-V605 HydrophobicContact CD2-CG2 4.16Å; Y601-V605 HydrophobicContact CE1-CB 4.05Å; Y601-V605 HydrophobicContact CE1-CG1 4.29Å; Y601-V605 HydrophobicContact CE1-CG2 3.84Å; Y601-V605 HydrophobicContact CE2-CG2 3.78Å; Y601-V605 HydrophobicContact CG-CG2 4.39Å; Y601-V605 PolarHBondContact O-N 2.95Å; Y601-V605 VanDerWaalsContact O-N 3.07Å; V605-T607 PolarHBondContact O-N 3.29Å |
| 606 | F | 81.7 | Confident | 82.6 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 22% | 0.224 | 38% | 0.377 | C | S | . | . | trans | -87.1 | 112.8 | -174.3 | -68.5 | -88.3 | 0 | 0 | 0 | 111.7 | K602 D610 A614 P615 L635 | K602-F606 HydrophobicContact CB-CD2 4.46Å; K602-F606 HydrophobicContact CG-CD2 3.99Å; K602-F606 PolarHBondContact O-N 3Å; F606-D610 HydrophobicContact CD1-CB 4.49Å; F606-A614 HydrophobicContact CD1-CB 4.16Å; F606-P615 HydrophobicContact CZ-CG 4.15Å; F606-L635 HydrophobicContact CE2-CD1 3.6Å; F606-L635 HydrophobicContact CE2-CG 4.16Å; F606-L635 HydrophobicContact CZ-CD1 3.92Å | ||
| 607 | T | 77.7 | Confident | 82.2 | Confident | 91 Ų | 91 | 74.8 Ų | 74.8 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | trans | -102 | 168.5 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | V605 K609 D610 | V605-T607 PolarHBondContact O-N 3.29Å; T607-K609 PolarHBondContact O-N 3.33Å; T607-D610 PolarHBondContact O-N 2.88Å | ||
| 608 | A | 74 | Confident | 81.9 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -48.1 | -30.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P513 D610 S611 | P513-A608 HydrophobicContact CB-CB 3.89Å; P513-A608 HydrophobicContact CG-CB 3.79Å; A608-D610 VanDerWaalsContact C-N 3.33Å; A608-D610 PolarHBondContact O-N 3.49Å; A608-S611 WeakPolarHBondContact O-CB 3.35Å; A608-S611 PolarHBondContact O-N 3.38Å; A608-S611 PolarHBondContact O-OG 3.48Å; A608-S611 VanDerWaalsContact O-OG 3.12Å |
| 609 | K | 73.5 | Confident | 81.7 | Confident | 162 Ų | 162 | 79.6 Ų | 79.6 | 70% | 0.704 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -65.3 | -31.3 | 178.9 | -67.6 | -179.8 | 179.5 | -179.7 | 0 | 113.6 | N514 T607 | N514-K609 WeakPolarHBondContact OD1-CG 3.39Å; T607-K609 PolarHBondContact O-N 3.33Å |
| 610 | D | 74.5 | Confident | 81.3 | Confident | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -105.8 | 17.7 | -177.7 | -63.2 | -56.1 | 0 | 0 | 0 | 112.7 | F606 T607 A608 K612 K613 A614 | F606-D610 HydrophobicContact CD1-CB 4.49Å; T607-D610 PolarHBondContact O-N 2.88Å; A608-D610 VanDerWaalsContact C-N 3.33Å; A608-D610 PolarHBondContact O-N 3.49Å; D610-K612 VanDerWaalsContact C-N 3.26Å; D610-K612 PolarHBondContact O-N 2.93Å; D610-K613 PolarHBondContact O-N 3.37Å; D610-A614 PolarHBondContact O-N 3.4Å |
| 611 | S | 74.5 | Confident | 81.1 | Confident | 81 Ų | 81 | 76.9 Ų | 76.9 | 57% | 0.566 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -54.7 | -37.3 | -176.1 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | A608 K613 A614 | A608-S611 WeakPolarHBondContact O-CB 3.35Å; A608-S611 PolarHBondContact O-N 3.38Å; A608-S611 PolarHBondContact O-OG 3.48Å; A608-S611 VanDerWaalsContact O-OG 3.12Å; S611-K613 PolarHBondContact O-N 2.92Å; S611-A614 PolarHBondContact O-N 3.47Å |
| 612 | K | 72.5 | Confident | 80.9 | Confident | 211 Ų | 211 | 78.2 Ų | 78.2 | 92% | 0.917 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -66 | -23.2 | 176.7 | -67.8 | -175.1 | 179.8 | -178.5 | 0 | 113.7 | D610 | D610-K612 VanDerWaalsContact C-N 3.26Å; D610-K612 PolarHBondContact O-N 2.93Å |
| 613 | K | 72.8 | Confident | 80.8 | Confident | 118 Ų | 118 | 77.3 Ų | 77.3 | 51% | 0.513 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -99.5 | 0.3 | -177.3 | -65.8 | -179.8 | -176.7 | 172.4 | 0 | 112.7 | D610 S611 P615 | D610-K613 PolarHBondContact O-N 3.37Å; S611-K613 PolarHBondContact O-N 2.92Å; K613-P615 WeakPolarHBondContact O-CD 3.37Å |
| 614 | A | 77.6 | Confident | 80.6 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | trans | -73.4 | 111.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F606 D610 S611 | F606-A614 HydrophobicContact CD1-CB 4.16Å; D610-A614 PolarHBondContact O-N 3.4Å; S611-A614 PolarHBondContact O-N 3.47Å | ||
| 615 | P | 79.6 | Confident | 80.5 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 8% | 0.078 | 37% | 0.366 | C | S | . | . | trans | -75.1 | 159.4 | -175.9 | 27.9 | -32.3 | 0 | 0 | 0 | 113.1 | K602 F606 K613 H620 L635 | K602-P615 PolarHBondContact NZ-O 3.4Å; F606-P615 HydrophobicContact CZ-CG 4.15Å; K613-P615 WeakPolarHBondContact O-CD 3.37Å; P615-H620 WeakPolarHBondContact CB-CE1 3.31Å; P615-L635 HydrophobicContact CG-CD1 3.29Å | ||
| 616 | S | 83.4 | Confident | 80.4 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | trans | -82.4 | 126.1 | 172.4 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | L618 I619 H620 | S616-L618 VanDerWaalsContact C-N 3.32Å; S616-L618 PolarHBondContact O-N 3.48Å; S616-I619 WeakPolarHBondContact OG-CB 3.27Å; S616-I619 VanDerWaalsContact OG-CD1 3.22Å; S616-I619 WeakPolarHBondContact OG-CD1 3.41Å; S616-I619 VanDerWaalsContact OG-CG1 3.23Å; S616-I619 WeakPolarHBondContact OG-CG1 3.2Å; S616-H620 PolarHBondContact O-N 2.97Å; S616-H620 PolarHBondContact O-ND1 3.25Å | ||
| 617 | I | 84.9 | Confident | 79.8 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.4 | -38.2 | -178.7 | -61.8 | 167.3 | 0 | 0 | 0 | 110.5 | L595 M598 I599 K602 I619 H620 F621 | L595-I617 HydrophobicContact CD1-CG2 3.63Å; M598-I617 HydrophobicContact CB-CG2 4.33Å; I599-I617 HydrophobicContact CG1-CD1 4.02Å; K602-I617 HydrophobicContact CB-CD1 4.3Å; K602-I617 HydrophobicContact CD-CD1 3.67Å; K602-I617 HydrophobicContact CD-CG1 3.86Å; I617-I619 PolarHBondContact O-N 2.92Å; I617-H620 PolarHBondContact O-N 3.38Å; I617-F621 WeakPolarHBondContact O-CB 3.32Å; I617-F621 PolarHBondContact O-N 3.49Å |
| 618 | L | 84.9 | Confident | 79.4 | Confident | 123 Ų | 123 | 74 Ų | 74 | 64% | 0.644 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -45.3 | -177.7 | -175.7 | 65.6 | 0 | 0 | 0 | 112.2 | S616 F621 I622 | S616-L618 VanDerWaalsContact C-N 3.32Å; S616-L618 PolarHBondContact O-N 3.48Å; L618-F621 PolarHBondContact O-N 3.04Å; L618-I622 HydrophobicContact CD1-CD1 4.33Å; L618-I622 HydrophobicContact CG-CD1 3.98Å; L618-I622 WeakPolarHBondContact O-CG1 3.27Å; L618-I622 PolarHBondContact O-N 3.01Å |
| 619 | I | 85.3 | Confident | 78.7 | Confident | 81 Ų | 81 | 76.3 Ų | 76.3 | 42% | 0.415 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 179.8 | -59.5 | -179 | 0 | 0 | 0 | 110.2 | S616 I617 F621 I622 N623 | S616-I619 WeakPolarHBondContact OG-CB 3.27Å; S616-I619 VanDerWaalsContact OG-CD1 3.22Å; S616-I619 WeakPolarHBondContact OG-CD1 3.41Å; S616-I619 VanDerWaalsContact OG-CG1 3.23Å; S616-I619 WeakPolarHBondContact OG-CG1 3.2Å; I617-I619 PolarHBondContact O-N 2.92Å; I619-F621 VanDerWaalsContact C-N 3.26Å; I619-F621 PolarHBondContact O-N 3.14Å; I619-I622 PolarHBondContact O-N 3.08Å; I619-N623 WeakPolarHBondContact O-CB 3.42Å; I619-N623 VanDerWaalsContact O-CG 3.26Å; I619-N623 PolarHBondContact O-N 3.25Å; I619-N623 PolarHBondContact O-OD1 3.14Å |
| 620 | H | 83.3 | Confident | 77.7 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 7% | 0.069 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.8 | -34.7 | 174.7 | -75.9 | 82.7 | 0 | 0 | 0 | 113.1 | P615 S616 I617 M624 V632 Q639 | P615-H620 WeakPolarHBondContact CB-CE1 3.31Å; S616-H620 PolarHBondContact O-N 2.97Å; S616-H620 PolarHBondContact O-ND1 3.25Å; I617-H620 PolarHBondContact O-N 3.38Å; H620-M624 WeakPolarHBondContact O-CB 3.47Å; H620-M624 PolarHBondContact O-N 3.24Å; H620-M624 VanDerWaalsContact O-N 3.09Å; H620-V632 WeakPolarHBondContact CE1-CG1 3.28Å; H620-Q639 PolarHBondContact CD2-NE2 3.2Å; H620-Q639 VanDerWaalsContact CD2-NE2 3.35Å |
| 621 | F | 86.4 | Confident | 76.8 | Confident | 30 Ų | 30 | 81.5 Ų | 81.5 | 13% | 0.132 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -72.7 | -38.1 | 176.4 | -171.7 | -107.8 | 0 | 0 | 0 | 112.1 | F592 L595 M598 I617 L618 I619 M624 F625 | F592-F621 HydrophobicContact CD1-CZ 4.25Å; F592-F621 HydrophobicContact CE1-CZ 4.02Å; L595-F621 HydrophobicContact CB-CD2 4.27Å; L595-F621 HydrophobicContact CB-CE2 4.05Å; L595-F621 HydrophobicContact CD1-CB 4.43Å; L595-F621 HydrophobicContact CD1-CD2 4.04Å; L595-F621 HydrophobicContact CD1-CG 4.22Å; L595-F621 HydrophobicContact CD2-CE2 4.46Å; L595-F621 HydrophobicContact CD2-CZ 4.46Å; M598-F621 HydrophobicContact CE-CD2 4.12Å; I617-F621 WeakPolarHBondContact O-CB 3.32Å; I617-F621 PolarHBondContact O-N 3.49Å; L618-F621 PolarHBondContact O-N 3.04Å; I619-F621 VanDerWaalsContact C-N 3.26Å; I619-F621 PolarHBondContact O-N 3.14Å; F621-M624 HydrophobicContact CD2-CE 3.7Å; F621-M624 HydrophobicContact CE2-CE 3.6Å; F621-M624 HydrophobicContact CZ-CE 4.46Å; F621-M624 WeakPolarHBondContact O-CB 3.42Å; F621-F625 HydrophobicContact CD1-CE2 4.29Å; F621-F625 HydrophobicContact CD2-CE2 4.47Å; F621-F625 HydrophobicContact CE1-CD2 4.49Å; F621-F625 AromaticContact CE1-CE2 3.74Å; F621-F625 HydrophobicContact CE1-CE2 3.74Å; F621-F625 AromaticContact CE2-CE2 3.95Å; F621-F625 HydrophobicContact CE2-CE2 3.95Å; F621-F625 AromaticContact CZ-CE2 3.57Å; F621-F625 HydrophobicContact CZ-CE2 3.57Å; F621-F625 HydrophobicContact CZ-CZ 4.22Å; F621-F625 WeakPolarHBondContact O-CD2 3.43Å |
| 622 | I | 87.2 | Confident | 76.2 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 43% | 0.426 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.6 | -48.2 | 174 | -67.7 | 165 | 0 | 0 | 0 | 110.5 | L618 I619 M624 F625 L626 | L618-I622 HydrophobicContact CD1-CD1 4.33Å; L618-I622 HydrophobicContact CG-CD1 3.98Å; L618-I622 WeakPolarHBondContact O-CG1 3.27Å; L618-I622 PolarHBondContact O-N 3.01Å; I619-I622 PolarHBondContact O-N 3.08Å; I622-M624 PolarHBondContact O-N 3.4Å; I622-F625 PolarHBondContact O-N 2.99Å; I622-L626 PolarHBondContact O-N 3.01Å |
| 623 | N | 84.3 | Confident | 75.9 | Confident | 25 Ų | 25 | 75.5 Ų | 75.5 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.1 | -29.2 | -179.7 | -70.6 | 4 | 0 | 0 | 0 | 112.2 | I619 F625 L626 M627 | I619-N623 WeakPolarHBondContact O-CB 3.42Å; I619-N623 VanDerWaalsContact O-CG 3.26Å; I619-N623 PolarHBondContact O-N 3.25Å; I619-N623 PolarHBondContact O-OD1 3.14Å; N623-F625 VanDerWaalsContact C-N 3.31Å; N623-F625 PolarHBondContact O-N 3.06Å; N623-L626 PolarHBondContact O-N 3.36Å; N623-M627 PolarHBondContact O-N 3.35Å |
| 624 | M | 85 | Confident | 75.9 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.5 | -38.5 | 172.6 | -179 | -175.7 | 77.6 | 0 | 0 | 112.4 | L591 Y594 H620 F621 I622 M627 Q643 V647 | L591-M624 HydrophobicContact CD2-CE 4.21Å; Y594-M624 HydrophobicContact CD1-SD 3.77Å; Y594-M624 HydrophobicContact CE1-SD 3.99Å; H620-M624 WeakPolarHBondContact O-CB 3.47Å; H620-M624 PolarHBondContact O-N 3.24Å; H620-M624 VanDerWaalsContact O-N 3.09Å; F621-M624 HydrophobicContact CD2-CE 3.7Å; F621-M624 HydrophobicContact CE2-CE 3.6Å; F621-M624 HydrophobicContact CZ-CE 4.46Å; F621-M624 WeakPolarHBondContact O-CB 3.42Å; I622-M624 PolarHBondContact O-N 3.4Å; M624-M627 WeakPolarHBondContact O-CE 3.38Å; M624-Q643 HydrophobicContact CG-CB 4.11Å; M624-Q643 HydrophobicContact CG-CG 4.16Å; M624-Q643 HydrophobicContact SD-CG 4.35Å; M624-V647 HydrophobicContact CG-CG2 3.73Å; M624-V647 HydrophobicContact SD-CG2 4.42Å |
| 625 | F | 82.9 | Confident | 75.8 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 42% | 0.421 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -84.6 | -36.1 | 178 | -73.6 | -74.6 | 0 | 0 | 0 | 113 | L591 F621 I622 N623 M627 | L591-F625 HydrophobicContact CB-CZ 4.45Å; L591-F625 HydrophobicContact CD1-CE1 4.07Å; L591-F625 HydrophobicContact CD1-CZ 3.98Å; L591-F625 HydrophobicContact CD2-CE1 3.68Å; L591-F625 HydrophobicContact CD2-CZ 3.63Å; L591-F625 HydrophobicContact CG-CE1 4.47Å; L591-F625 HydrophobicContact CG-CZ 4.22Å; F621-F625 HydrophobicContact CD1-CE2 4.29Å; F621-F625 HydrophobicContact CD2-CE2 4.47Å; F621-F625 HydrophobicContact CE1-CD2 4.49Å; F621-F625 AromaticContact CE1-CE2 3.74Å; F621-F625 HydrophobicContact CE1-CE2 3.74Å; F621-F625 AromaticContact CE2-CE2 3.95Å; F621-F625 HydrophobicContact CE2-CE2 3.95Å; F621-F625 AromaticContact CZ-CE2 3.57Å; F621-F625 HydrophobicContact CZ-CE2 3.57Å; F621-F625 HydrophobicContact CZ-CZ 4.22Å; F621-F625 WeakPolarHBondContact O-CD2 3.43Å; I622-F625 PolarHBondContact O-N 2.99Å; N623-F625 VanDerWaalsContact C-N 3.31Å; N623-F625 PolarHBondContact O-N 3.06Å; F625-M627 PolarHBondContact O-N 3.35Å |
| 626 | L | 82.1 | Confident | 75.9 | Confident | 97 Ų | 97 | 73.5 Ų | 73.5 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -79.3 | -7.1 | -177 | -162.1 | 56.5 | 0 | 0 | 0 | 112.8 | I622 N623 Q628 | I622-L626 PolarHBondContact O-N 3.01Å; N623-L626 PolarHBondContact O-N 3.36Å; L626-Q628 HydrophobicContact CB-CG 4.4Å; L626-Q628 HydrophobicContact CD2-CG 4.15Å; L626-Q628 HydrophobicContact CG-CG 3.87Å; L626-Q628 PolarHBondContact O-N 3.07Å; L626-Q628 VanDerWaalsContact O-N 3.11Å |
| 627 | M | 70.1 | Confident | 75.8 | Confident | 102 Ų | 102 | 77.1 Ų | 77.1 | 50% | 0.502 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 31.8 | -178 | -64.3 | -68.5 | 169.4 | 0 | 0 | 112.7 | N623 M624 F625 I644 V647 | N623-M627 PolarHBondContact O-N 3.35Å; M624-M627 WeakPolarHBondContact O-CE 3.38Å; F625-M627 PolarHBondContact O-N 3.35Å; M627-I644 HydrophobicContact SD-CG1 4.21Å; M627-V647 HydrophobicContact CE-CB 3.62Å; M627-V647 HydrophobicContact CE-CG1 3.46Å; M627-V647 VanDerWaalsContact CE-CG1 3.46Å; M627-V647 HydrophobicContact CE-CG2 3.89Å |
| 628 | Q | 67.8 | Low | 75.7 | Confident | 96 Ų | 96 | 78.8 Ų | 78.8 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | trans | -95.2 | 114.8 | 176.9 | -76.7 | 179 | -4.9 | 0 | 0 | 109.6 | L626 E630 | L626-Q628 HydrophobicContact CB-CG 4.4Å; L626-Q628 HydrophobicContact CD2-CG 4.15Å; L626-Q628 HydrophobicContact CG-CG 3.87Å; L626-Q628 PolarHBondContact O-N 3.07Å; L626-Q628 VanDerWaalsContact O-N 3.11Å; Q628-E630 VanDerWaalsContact C-N 3.35Å; Q628-E630 PolarHBondContact O-N 3.45Å | ||
| 629 | G | 59.8 | Low | 75.7 | Confident | 81 Ų | 81 | 73.2 Ų | 73.2 | 84% | 0.835 | 41% | 0.407 | S | S | * | . | trans | -88.9 | 63.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 630 | E | 52.6 | Low | 75.5 | Confident | 137 Ų | 137 | 75 Ų | 75 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | trans | -73.8 | 155.5 | 170 | -75.3 | -170.1 | 161.7 | 0 | 0 | 111.4 | Q628 V632 | Q628-E630 VanDerWaalsContact C-N 3.35Å; Q628-E630 PolarHBondContact O-N 3.45Å; E630-V632 PolarHBondContact O-N 3.36Å | ||
| 631 | E | 55.3 | Low | 75.7 | Confident | 205 Ų | 205 | 76.6 Ų | 76.6 | 96% | 0.958 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -60.3 | 49.8 | -174.5 | -57.4 | -177.1 | 157.4 | 0 | 0 | 115.1 | ||
| 632 | V | 62.8 | Low | 75.8 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 35% | 0.352 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 132 | 179.3 | -163.1 | 0 | 0 | 0 | 0 | 109.2 | H620 E630 | H620-V632 WeakPolarHBondContact CE1-CG1 3.28Å; E630-V632 PolarHBondContact O-N 3.36Å |
| 633 | Q | 66.5 | Low | 75.8 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 51% | 0.505 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 128 | -178.9 | -69.8 | -175.2 | 1.8 | 0 | 0 | 111 | ||
| 634 | P | 71.4 | Confident | 76 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 56% | 0.558 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -68 | 141.2 | -179.7 | 28.1 | -34 | 0 | 0 | 0 | 110.9 | ||
| 635 | L | 76.3 | Confident | 76.3 | Confident | 12 Ų | 12 | 84.4 Ų | 84.4 | 6% | 0.063 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -68.1 | -38.2 | 178.5 | -152 | 78.6 | 0 | 0 | 0 | 111.4 | M598 Y601 F606 P615 | M598-L635 HydrophobicContact CB-CD2 4.38Å; M598-L635 HydrophobicContact CG-CD2 4.24Å; Y601-L635 HydrophobicContact CD1-CD2 3.51Å; Y601-L635 HydrophobicContact CD1-CG 3.63Å; Y601-L635 HydrophobicContact CE1-CB 4.44Å; Y601-L635 HydrophobicContact CE1-CD2 4.12Å; Y601-L635 HydrophobicContact CE1-CG 3.75Å; Y601-L635 WeakPolarHBondContact CE1-O 3.45Å; Y601-L635 HydrophobicContact CG-CD2 4.29Å; Y601-L635 PolarHBondContact OH-O 3.09Å; Y601-L635 VanDerWaalsContact OH-O 3.06Å; F606-L635 HydrophobicContact CE2-CD1 3.6Å; F606-L635 HydrophobicContact CE2-CG 4.16Å; F606-L635 HydrophobicContact CZ-CD1 3.92Å; P615-L635 HydrophobicContact CG-CD1 3.29Å |
| 636 | Y | 81.5 | Confident | 76.7 | Confident | 31 Ų | 31 | 81 Ų | 81 | 12% | 0.122 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -146.5 | 155 | 176.6 | 59.7 | -89.8 | 0 | 0 | 0 | 110.2 | Y594 F597 Y601 G638 Q639 L642 | Y594-Y636 PolarHBondContact OH-OH 3.46Å; F597-Y636 HydrophobicContact CE1-CE1 4.32Å; Y601-Y636 WeakPolarHBondContact OH-CB 3.39Å; Y636-G638 PolarHBondContact O-N 3.1Å; Y636-Q639 HydrophobicContact CD1-CB 4.32Å; Y636-Q639 HydrophobicContact CD2-CB 4.25Å; Y636-Q639 HydrophobicContact CE1-CB 3.95Å; Y636-Q639 HydrophobicContact CE1-CG 3.92Å; Y636-Q639 VanDerWaalsContact CE2-CA 3.45Å; Y636-Q639 HydrophobicContact CE2-CB 3.9Å; Y636-Q639 HydrophobicContact CG-CB 4.42Å; Y636-Q639 PolarHBondContact O-N 3.47Å; Y636-L642 VanDerWaalsContact OH-CD2 3.31Å; Y636-L642 WeakPolarHBondContact OH-CD2 3.32Å |
| 637 | P | 82.1 | Confident | 77 | Confident | 126 Ų | 126 | 77.1 Ų | 77.1 | 82% | 0.818 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 126.9 | 177.7 | 25.5 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 638 | G | 81.9 | Confident | 78 | Confident | 59 Ų | 59 | 76.3 Ų | 76.3 | 61% | 0.608 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | 9.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y636 I640 G641 L642 | Y636-G638 PolarHBondContact O-N 3.1Å; G638-I640 VanDerWaalsContact C-N 3.34Å; G638-I640 PolarHBondContact O-N 3.47Å; G638-G641 PolarHBondContact O-N 3.39Å; G638-L642 PolarHBondContact O-N 3.43Å |
| 639 | Q | 84.3 | Confident | 79.2 | Confident | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.023 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -54.1 | -42.8 | -178.4 | 177.5 | 177 | -5.8 | 0 | 0 | 114.7 | H620 Y636 G641 L642 Q643 | H620-Q639 PolarHBondContact CD2-NE2 3.2Å; H620-Q639 VanDerWaalsContact CD2-NE2 3.35Å; Y636-Q639 HydrophobicContact CD1-CB 4.32Å; Y636-Q639 HydrophobicContact CD2-CB 4.25Å; Y636-Q639 HydrophobicContact CE1-CB 3.95Å; Y636-Q639 HydrophobicContact CE1-CG 3.92Å; Y636-Q639 VanDerWaalsContact CE2-CA 3.45Å; Y636-Q639 HydrophobicContact CE2-CB 3.9Å; Y636-Q639 HydrophobicContact CG-CB 4.42Å; Y636-Q639 PolarHBondContact O-N 3.47Å; Q639-G641 VanDerWaalsContact C-N 3.33Å; Q639-G641 PolarHBondContact O-N 2.91Å; Q639-L642 PolarHBondContact O-N 3.5Å; Q639-Q643 HydrophobicContact CG-CG 4.18Å; Q639-Q643 VanDerWaalsContact NE2-NE2 3.1Å; Q639-Q643 WeakPolarHBondContact O-CB 3.32Å; Q639-Q643 WeakPolarHBondContact O-CG 3.26Å; Q639-Q643 PolarHBondContact O-N 3.14Å |
| 640 | I | 82.8 | Confident | 80.6 | Confident | 119 Ų | 119 | 70.4 Ų | 70.4 | 61% | 0.61 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.7 | -43.4 | -176.3 | -61.7 | 170.1 | 0 | 0 | 0 | 110.5 | G638 L642 Q643 I644 | G638-I640 VanDerWaalsContact C-N 3.34Å; G638-I640 PolarHBondContact O-N 3.47Å; I640-L642 PolarHBondContact O-N 3.48Å; I640-Q643 PolarHBondContact O-N 3.23Å; I640-I644 HydrophobicContact CG2-CD1 3.91Å; I640-I644 WeakPolarHBondContact O-CG1 3.27Å; I640-I644 PolarHBondContact O-N 2.96Å; I640-I644 VanDerWaalsContact O-N 3.1Å |
| 641 | G | 86.6 | Confident | 82.4 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G638 Q639 F645 | G638-G641 PolarHBondContact O-N 3.39Å; Q639-G641 VanDerWaalsContact C-N 3.33Å; Q639-G641 PolarHBondContact O-N 2.91Å; G641-F645 WeakPolarHBondContact O-CB 3.21Å; G641-F645 PolarHBondContact O-N 3.32Å |
| 642 | L | 88.2 | Confident | 84.1 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 178.8 | -168.8 | 138.9 | 0 | 0 | 0 | 112.2 | Y594 Y636 G638 Q639 I640 F645 L646 | Y594-L642 HydrophobicContact CD2-CD2 3.95Å; Y594-L642 HydrophobicContact CE2-CD2 3.5Å; Y636-L642 VanDerWaalsContact OH-CD2 3.31Å; Y636-L642 WeakPolarHBondContact OH-CD2 3.32Å; G638-L642 PolarHBondContact O-N 3.43Å; Q639-L642 PolarHBondContact O-N 3.5Å; I640-L642 PolarHBondContact O-N 3.48Å; L642-F645 PolarHBondContact O-N 3.33Å; L642-L646 HydrophobicContact CD2-CD1 3.45Å; L642-L646 VanDerWaalsContact CD2-CD1 3.45Å; L642-L646 HydrophobicContact CD2-CG 4.04Å; L642-L646 HydrophobicContact CG-CD1 4.48Å; L642-L646 WeakPolarHBondContact O-CG 3.45Å; L642-L646 PolarHBondContact O-N 2.87Å |
| 643 | Q | 87.9 | Confident | 85.3 | Confident | 23 Ų | 23 | 62 Ų | 62 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.1 | -78.7 | -179.9 | -29.1 | 0 | 0 | 112.2 | Y594 M624 Q639 I640 F645 L646 V647 | Y594-Q643 HydrophobicContact CE1-CG 3.87Å; M624-Q643 HydrophobicContact CG-CB 4.11Å; M624-Q643 HydrophobicContact CG-CG 4.16Å; M624-Q643 HydrophobicContact SD-CG 4.35Å; Q639-Q643 HydrophobicContact CG-CG 4.18Å; Q639-Q643 VanDerWaalsContact NE2-NE2 3.1Å; Q639-Q643 WeakPolarHBondContact O-CB 3.32Å; Q639-Q643 WeakPolarHBondContact O-CG 3.26Å; Q639-Q643 PolarHBondContact O-N 3.14Å; I640-Q643 PolarHBondContact O-N 3.23Å; Q643-F645 VanDerWaalsContact C-N 3.33Å; Q643-F645 PolarHBondContact O-N 2.79Å; Q643-L646 PolarHBondContact O-N 3.19Å; Q643-V647 WeakPolarHBondContact O-CG2 3.4Å; Q643-V647 PolarHBondContact O-N 3.45Å; Q643-V647 VanDerWaalsContact O-N 3.07Å |
| 644 | I | 88.4 | Confident | 86.5 | Confident | 81 Ų | 81 | 59.2 Ų | 59.2 | 42% | 0.415 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.9 | -66.8 | 167.7 | 0 | 0 | 0 | 110 | M627 I640 L646 V647 V648 | M627-I644 HydrophobicContact SD-CG1 4.21Å; I640-I644 HydrophobicContact CG2-CD1 3.91Å; I640-I644 WeakPolarHBondContact O-CG1 3.27Å; I640-I644 PolarHBondContact O-N 2.96Å; I640-I644 VanDerWaalsContact O-N 3.1Å; I644-L646 PolarHBondContact O-N 3.28Å; I644-V647 PolarHBondContact O-N 3.34Å; I644-V648 HydrophobicContact CG2-CG2 4.38Å; I644-V648 VanDerWaalsContact O-CG2 3.28Å; I644-V648 WeakPolarHBondContact O-CG2 3.4Å; I644-V648 PolarHBondContact O-N 3.08Å |
| 645 | F | 91.2 | Very high | 87.3 | Confident | 129 Ų | 129 | 58.5 Ų | 58.5 | 57% | 0.566 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 178.4 | 176.4 | -105.1 | 0 | 0 | 0 | 112.9 | G641 L642 Q643 V648 I649 | G641-F645 WeakPolarHBondContact O-CB 3.21Å; G641-F645 PolarHBondContact O-N 3.32Å; L642-F645 PolarHBondContact O-N 3.33Å; Q643-F645 VanDerWaalsContact C-N 3.33Å; Q643-F645 PolarHBondContact O-N 2.79Å; F645-V648 PolarHBondContact O-N 3.47Å; F645-I649 HydrophobicContact CD1-CD1 3.96Å; F645-I649 HydrophobicContact CD2-CD1 4.38Å; F645-I649 HydrophobicContact CE1-CD1 3.39Å; F645-I649 HydrophobicContact CE2-CD1 3.87Å; F645-I649 HydrophobicContact CG-CD1 4.44Å; F645-I649 HydrophobicContact CZ-CD1 3.36Å; F645-I649 HydrophobicContact CZ-CG1 4.45Å; F645-I649 WeakPolarHBondContact O-CG1 3.38Å; F645-I649 PolarHBondContact O-N 2.95Å; F645-I649 VanDerWaalsContact O-N 3.12Å |
| 646 | L | 90.3 | Very high | 88 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.8 | -72.4 | 176.8 | 0 | 0 | 0 | 112.7 | C590 Y594 L642 Q643 I644 I649 A650 | C590-L646 HydrophobicContact CB-CB 4.47Å; C590-L646 HydrophobicContact CB-CD2 4.13Å; Y594-L646 HydrophobicContact CD1-CD1 4.1Å; Y594-L646 HydrophobicContact CD2-CD1 3.57Å; Y594-L646 HydrophobicContact CE2-CD1 4.2Å; Y594-L646 HydrophobicContact CG-CD1 3.53Å; L642-L646 HydrophobicContact CD2-CD1 3.45Å; L642-L646 VanDerWaalsContact CD2-CD1 3.45Å; L642-L646 HydrophobicContact CD2-CG 4.04Å; L642-L646 HydrophobicContact CG-CD1 4.48Å; L642-L646 WeakPolarHBondContact O-CG 3.45Å; L642-L646 PolarHBondContact O-N 2.87Å; Q643-L646 PolarHBondContact O-N 3.19Å; I644-L646 PolarHBondContact O-N 3.28Å; L646-I649 PolarHBondContact O-N 3.28Å; L646-A650 PolarHBondContact O-N 3.15Å |
| 647 | V | 89.8 | Confident | 88.3 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 178.4 | 175 | 0 | 0 | 0 | 0 | 111 | M624 M627 Q643 I644 I649 A650 V651 | M624-V647 HydrophobicContact CG-CG2 3.73Å; M624-V647 HydrophobicContact SD-CG2 4.42Å; M627-V647 HydrophobicContact CE-CB 3.62Å; M627-V647 HydrophobicContact CE-CG1 3.46Å; M627-V647 VanDerWaalsContact CE-CG1 3.46Å; M627-V647 HydrophobicContact CE-CG2 3.89Å; Q643-V647 WeakPolarHBondContact O-CG2 3.4Å; Q643-V647 PolarHBondContact O-N 3.45Å; Q643-V647 VanDerWaalsContact O-N 3.07Å; I644-V647 PolarHBondContact O-N 3.34Å; V647-I649 VanDerWaalsContact C-N 3.33Å; V647-I649 PolarHBondContact O-N 3.25Å; V647-A650 PolarHBondContact O-N 2.69Å; V647-V651 HydrophobicContact CG1-CG2 4.26Å; V647-V651 WeakPolarHBondContact O-CG2 3.47Å; V647-V651 PolarHBondContact O-N 3.37Å |
| 648 | V | 91.2 | Very high | 88.6 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 175.9 | 170 | 0 | 0 | 0 | 0 | 111.2 | I644 F645 V651 L652 | I644-V648 HydrophobicContact CG2-CG2 4.38Å; I644-V648 VanDerWaalsContact O-CG2 3.28Å; I644-V648 WeakPolarHBondContact O-CG2 3.4Å; I644-V648 PolarHBondContact O-N 3.08Å; F645-V648 PolarHBondContact O-N 3.47Å; V648-V651 PolarHBondContact O-N 3.47Å; V648-L652 WeakPolarHBondContact O-CB 3.48Å; V648-L652 PolarHBondContact O-N 2.98Å |
| 649 | I | 91.8 | Very high | 88.8 | Confident | 49 Ų | 49 | 56.6 Ų | 56.6 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.3 | -70.9 | 172.7 | 0 | 0 | 0 | 111.2 | F645 L646 V647 V651 L652 S653 | F645-I649 HydrophobicContact CD1-CD1 3.96Å; F645-I649 HydrophobicContact CD2-CD1 4.38Å; F645-I649 HydrophobicContact CE1-CD1 3.39Å; F645-I649 HydrophobicContact CE2-CD1 3.87Å; F645-I649 HydrophobicContact CG-CD1 4.44Å; F645-I649 HydrophobicContact CZ-CD1 3.36Å; F645-I649 HydrophobicContact CZ-CG1 4.45Å; F645-I649 WeakPolarHBondContact O-CG1 3.38Å; F645-I649 PolarHBondContact O-N 2.95Å; F645-I649 VanDerWaalsContact O-N 3.12Å; L646-I649 PolarHBondContact O-N 3.28Å; V647-I649 VanDerWaalsContact C-N 3.33Å; V647-I649 PolarHBondContact O-N 3.25Å; I649-V651 PolarHBondContact O-N 2.69Å; I649-L652 PolarHBondContact O-N 3.34Å; I649-S653 PolarHBondContact O-N 3.29Å |
| 650 | A | 89.3 | Confident | 88.7 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.033 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F587 C590 L591 L646 V647 S653 | F587-A650 HydrophobicContact CD2-CB 4.24Å; C590-A650 HydrophobicContact CB-CB 4.46Å; L591-A650 HydrophobicContact CD1-CB 4.41Å; L591-A650 HydrophobicContact CD2-CB 3.91Å; L591-A650 HydrophobicContact CG-CB 4.09Å; L646-A650 PolarHBondContact O-N 3.15Å; V647-A650 PolarHBondContact O-N 2.69Å; A650-S653 PolarHBondContact O-N 2.9Å; A650-S653 PolarHBondContact O-OG 3.35Å |
| 651 | V | 90.6 | Very high | 88.7 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | V647 V648 I649 S653 V654 P655 | V647-V651 HydrophobicContact CG1-CG2 4.26Å; V647-V651 WeakPolarHBondContact O-CG2 3.47Å; V647-V651 PolarHBondContact O-N 3.37Å; V648-V651 PolarHBondContact O-N 3.47Å; I649-V651 PolarHBondContact O-N 2.69Å; V651-S653 VanDerWaalsContact C-N 3.25Å; V651-S653 PolarHBondContact O-N 2.88Å; V651-V654 PolarHBondContact O-N 3.22Å; V651-P655 WeakPolarHBondContact O-CD 3.36Å |
| 652 | L | 90.9 | Very high | 88.6 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 61% | 0.613 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.4 | -27.3 | 179.1 | -170.7 | 136.5 | 0 | 0 | 0 | 112.7 | V648 I649 V654 P655 V656 | V648-L652 WeakPolarHBondContact O-CB 3.48Å; V648-L652 PolarHBondContact O-N 2.98Å; I649-L652 PolarHBondContact O-N 3.34Å; L652-V654 VanDerWaalsContact C-N 3.29Å; L652-V654 PolarHBondContact O-N 3.45Å; L652-P655 WeakPolarHBondContact O-CD 3.45Å; L652-V656 HydrophobicContact CD2-CG2 4.33Å; L652-V656 WeakPolarHBondContact O-CG2 3.37Å |
| 653 | S | 88.4 | Confident | 88.5 | Confident | 8 Ų | 8 | 51 Ų | 51 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.8 | -27.5 | 176.9 | 76.5 | 0 | 0 | 0 | 0 | 113.6 | I649 A650 V651 V656 L657 | I649-S653 PolarHBondContact O-N 3.29Å; A650-S653 PolarHBondContact O-N 2.9Å; A650-S653 PolarHBondContact O-OG 3.35Å; V651-S653 VanDerWaalsContact C-N 3.25Å; V651-S653 PolarHBondContact O-N 2.88Å; S653-V656 PolarHBondContact O-N 3.32Å; S653-L657 PolarHBondContact O-N 3.29Å |
| 654 | V | 90.6 | Very high | 88.3 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 30% | 0.303 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.8 | -50.6 | -176.4 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | F587 V651 L652 V656 L657 L658 T734 | F587-V654 HydrophobicContact CD2-CG2 4.33Å; F587-V654 HydrophobicContact CE2-CG2 4.16Å; V651-V654 PolarHBondContact O-N 3.22Å; L652-V654 VanDerWaalsContact C-N 3.29Å; L652-V654 PolarHBondContact O-N 3.45Å; V654-V656 VanDerWaalsContact C-N 3.27Å; V654-V656 PolarHBondContact O-N 3.18Å; V654-L657 PolarHBondContact O-N 3.07Å; V654-L658 PolarHBondContact O-N 3.49Å; V654-T734 HydrophobicContact CG1-CG2 4.31Å |
| 655 | P | 90.1 | Very high | 87.9 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -35.3 | 173.1 | -25.7 | 34.2 | 0 | 0 | 0 | 113.7 | V651 L652 L658 L659 | V651-P655 WeakPolarHBondContact O-CD 3.36Å; L652-P655 WeakPolarHBondContact O-CD 3.45Å; P655-L658 PolarHBondContact O-N 3.11Å; P655-L659 WeakPolarHBondContact O-CB 3.28Å; P655-L659 PolarHBondContact O-N 2.97Å |
| 656 | V | 89.3 | Confident | 87.5 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | P583 L652 S653 V654 G660 | P583-V656 HydrophobicContact CG-CB 4.32Å; P583-V656 HydrophobicContact CG-CG1 3.7Å; L652-V656 HydrophobicContact CD2-CG2 4.33Å; L652-V656 WeakPolarHBondContact O-CG2 3.37Å; S653-V656 PolarHBondContact O-N 3.32Å; V654-V656 VanDerWaalsContact C-N 3.27Å; V654-V656 PolarHBondContact O-N 3.18Å; V656-G660 VanDerWaalsContact O-CA 3.25Å; V656-G660 WeakPolarHBondContact O-CA 3.47Å; V656-G660 PolarHBondContact O-N 3.47Å |
| 657 | L | 87.9 | Confident | 87.1 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.1 | -173.1 | 60.7 | 0 | 0 | 0 | 112.2 | V580 P583 E584 S653 V654 Q730 T734 Y737 | V580-L657 HydrophobicContact CB-CD1 4.32Å; V580-L657 HydrophobicContact CG1-CD1 4.07Å; P583-L657 HydrophobicContact CB-CB 4.17Å; P583-L657 HydrophobicContact CB-CD1 4.49Å; E584-L657 HydrophobicContact CG-CD1 4.16Å; E584-L657 HydrophobicContact CG-CD2 4.14Å; S653-L657 PolarHBondContact O-N 3.29Å; V654-L657 PolarHBondContact O-N 3.07Å; L657-Q730 PolarHBondContact O-NE2 3.44Å; L657-T734 HydrophobicContact CB-CG2 4.3Å; L657-T734 HydrophobicContact CD2-CG2 4.01Å; L657-T734 HydrophobicContact CG-CG2 4.16Å; L657-Y737 HydrophobicContact CD2-CD1 4.37Å |
| 658 | L | 89.3 | Confident | 86.7 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.2 | -48.2 | -177.1 | -170.2 | 137.2 | 0 | 0 | 0 | 112.7 | V654 P655 P662 F727 T734 | V654-L658 PolarHBondContact O-N 3.49Å; P655-L658 PolarHBondContact O-N 3.11Å; L658-P662 WeakPolarHBondContact O-CG 3.42Å; L658-F727 HydrophobicContact CD2-CE2 3.82Å; L658-F727 HydrophobicContact CD2-CZ 4.08Å; L658-T734 HydrophobicContact CB-CG2 4.18Å; L658-T734 HydrophobicContact CD1-CG2 4.42Å |
| 659 | L | 86 | Confident | 85.7 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -94.7 | -22.5 | -173.3 | -65.7 | 172.4 | 0 | 0 | 0 | 113.4 | P655 K661 P662 V663 F727 | P655-L659 WeakPolarHBondContact O-CB 3.28Å; P655-L659 PolarHBondContact O-N 2.97Å; L659-K661 PolarHBondContact O-N 2.92Å; L659-P662 WeakPolarHBondContact O-CD 3.25Å; L659-V663 HydrophobicContact CB-CG2 4.28Å; L659-V663 WeakPolarHBondContact O-CB 3.49Å; L659-V663 WeakPolarHBondContact O-CG2 3.31Å; L659-V663 PolarHBondContact O-N 3.4Å; L659-V663 VanDerWaalsContact O-N 3.12Å; L659-F727 HydrophobicContact CD2-CE2 3.93Å |
| 660 | G | 81.9 | Confident | 84.6 | Confident | 15 Ų | 15 | 64 Ų | 64 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57 | -57.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V656 Y664 | V656-G660 VanDerWaalsContact O-CA 3.25Å; V656-G660 WeakPolarHBondContact O-CA 3.47Å; V656-G660 PolarHBondContact O-N 3.47Å; G660-Y664 WeakPolarHBondContact O-CB 3.45Å; G660-Y664 PolarHBondContact O-N 3.35Å |
| 661 | K | 83.4 | Confident | 83.2 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -53.6 | -177.5 | -170.3 | -168.7 | -177.3 | -157 | 0 | 113.7 | Y575 L659 V663 Y664 L665 E726 Q730 | Y575-K661 HydrophobicContact CE2-CG 4.21Å; L659-K661 PolarHBondContact O-N 2.92Å; K661-V663 PolarHBondContact O-N 3.42Å; K661-Y664 PolarHBondContact O-N 3.05Å; K661-L665 HydrophobicContact CG-CD1 4.2Å; K661-L665 WeakPolarHBondContact O-CG 3.36Å; K661-L665 PolarHBondContact O-N 3.29Å; K661-E726 WeakPolarHBondContact CD-OE1 3.31Å; K661-E726 WeakPolarHBondContact CE-OE1 3.48Å; K661-E726 IonicContact NZ-OE1 3.46Å; K661-E726 PolarHBondContact NZ-OE1 3.49Å; K661-Q730 VanDerWaalsContact CD-OE1 3.32Å |
| 662 | P | 85 | Confident | 81.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | -177.1 | 23.9 | -33.9 | 0 | 0 | 0 | 112.2 | L658 L659 L665 R666 F723 F727 | L658-P662 WeakPolarHBondContact O-CG 3.42Å; L659-P662 WeakPolarHBondContact O-CD 3.25Å; P662-L665 PolarHBondContact O-N 2.91Å; P662-R666 WeakPolarHBondContact O-CB 3.15Å; P662-R666 PolarHBondContact O-N 3.31Å; P662-F723 HydrophobicContact CB-CE2 3.88Å; P662-F723 HydrophobicContact CB-CZ 4.36Å; P662-F723 WeakPolarHBondContact O-CE2 3.5Å; P662-F727 HydrophobicContact CB-CB 4.42Å; P662-F727 HydrophobicContact CB-CD2 4.35Å; P662-F727 HydrophobicContact CG-CD2 3.99Å |
| 663 | V | 84.3 | Confident | 79.3 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 177.5 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | L659 K661 R666 W667 | L659-V663 HydrophobicContact CB-CG2 4.28Å; L659-V663 WeakPolarHBondContact O-CB 3.49Å; L659-V663 WeakPolarHBondContact O-CG2 3.31Å; L659-V663 PolarHBondContact O-N 3.4Å; L659-V663 VanDerWaalsContact O-N 3.12Å; K661-V663 PolarHBondContact O-N 3.42Å; V663-R666 PolarHBondContact O-N 3.45Å; V663-W667 WeakPolarHBondContact O-CB 3.3Å; V663-W667 PolarHBondContact O-N 3.28Å |
| 664 | Y | 83.8 | Confident | 77.2 | Confident | 84 Ų | 84 | 70 Ų | 70 | 33% | 0.329 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.5 | 179.8 | -96.5 | 0 | 0 | 0 | 112.4 | Y575 L579 G660 K661 W667 L668 | Y575-Y664 VanDerWaalsContact CB-CE1 3.43Å; Y575-Y664 HydrophobicContact CD1-CE1 4.06Å; Y575-Y664 AromaticContact CD2-CD1 3.93Å; Y575-Y664 HydrophobicContact CD2-CD1 3.93Å; Y575-Y664 HydrophobicContact CD2-CE1 4.19Å; Y575-Y664 AromaticContact CG-CD1 3.85Å; Y575-Y664 HydrophobicContact CG-CD1 3.85Å; Y575-Y664 AromaticContact CG-CE1 3.64Å; Y575-Y664 HydrophobicContact CG-CE1 3.64Å; L579-Y664 HydrophobicContact CD1-CD2 4.41Å; L579-Y664 HydrophobicContact CD1-CG 3.98Å; G660-Y664 WeakPolarHBondContact O-CB 3.45Å; G660-Y664 PolarHBondContact O-N 3.35Å; K661-Y664 PolarHBondContact O-N 3.05Å; Y664-W667 HydrophobicContact CD2-CE3 4.44Å; Y664-W667 HydrophobicContact CE2-CE3 4.31Å; Y664-W667 HydrophobicContact CE2-CZ3 4.32Å; Y664-W667 PolarHBondContact O-N 3.07Å; Y664-L668 PolarHBondContact O-N 2.93Å |
| 665 | L | 81.7 | Confident | 74.9 | Confident | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 177.6 | -70.4 | 172 | 0 | 0 | 0 | 111.9 | Y575 K661 P662 W667 L668 Q669 F721 E726 | Y575-L665 HydrophobicContact CE2-CD2 4.39Å; K661-L665 HydrophobicContact CG-CD1 4.2Å; K661-L665 WeakPolarHBondContact O-CG 3.36Å; K661-L665 PolarHBondContact O-N 3.29Å; P662-L665 PolarHBondContact O-N 2.91Å; L665-W667 VanDerWaalsContact C-N 3.34Å; L665-W667 PolarHBondContact O-N 3.07Å; L665-L668 PolarHBondContact O-N 2.78Å; L665-Q669 PolarHBondContact O-N 2.95Å; L665-Q669 VanDerWaalsContact O-N 3.09Å; L665-F721 HydrophobicContact CB-CE1 4.42Å; L665-F721 HydrophobicContact CB-CE2 4.2Å; L665-F721 HydrophobicContact CB-CZ 3.67Å; L665-F721 HydrophobicContact CD1-CE2 3.91Å; L665-F721 HydrophobicContact CD1-CZ 4.05Å; L665-F721 HydrophobicContact CG-CZ 4.48Å; L665-E726 HydrophobicContact CD1-CG 4Å |
| 666 | R | 80.9 | Confident | 72.6 | Confident | 131 Ų | 131 | 80.2 Ų | 80.2 | 49% | 0.494 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 173.9 | -173.4 | 174.5 | -179.5 | 178.3 | -0.7 | 112.3 | P662 V663 Q669 N670 F723 | P662-R666 WeakPolarHBondContact O-CB 3.15Å; P662-R666 PolarHBondContact O-N 3.31Å; V663-R666 PolarHBondContact O-N 3.45Å; R666-Q669 PolarHBondContact O-N 3.28Å; R666-N670 WeakPolarHBondContact O-CB 3.24Å; R666-N670 PolarHBondContact O-N 3.34Å; R666-F723 HydrophobicContact CB-CD2 3.98Å; R666-F723 HydrophobicContact CB-CE2 3.93Å; R666-F723 HydrophobicContact CG-CD2 4.36Å; R666-F723 HydrophobicContact CG-CE2 4.41Å |
| 667 | W | 82.8 | Confident | 70.1 | Confident | 171 Ų | 171 | 80.8 Ų | 80.8 | 65% | 0.648 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 175.9 | 178.7 | 77.7 | 0 | 0 | 0 | 112 | V663 Y664 L665 Q669 N670 G671 | V663-W667 WeakPolarHBondContact O-CB 3.3Å; V663-W667 PolarHBondContact O-N 3.28Å; Y664-W667 HydrophobicContact CD2-CE3 4.44Å; Y664-W667 HydrophobicContact CE2-CE3 4.31Å; Y664-W667 HydrophobicContact CE2-CZ3 4.32Å; Y664-W667 PolarHBondContact O-N 3.07Å; L665-W667 VanDerWaalsContact C-N 3.34Å; L665-W667 PolarHBondContact O-N 3.07Å; W667-Q669 VanDerWaalsContact C-N 3.34Å; W667-Q669 PolarHBondContact O-N 2.93Å; W667-N670 PolarHBondContact O-N 3.06Å; W667-G671 PolarHBondContact O-N 3.5Å |
| 668 | L | 80.6 | Confident | 67.8 | Low | 95 Ų | 95 | 87.8 Ų | 87.8 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.8 | -175.4 | 63.8 | 0 | 0 | 0 | 111.9 | Y664 L665 G672 | Y664-L668 PolarHBondContact O-N 2.93Å; L665-L668 PolarHBondContact O-N 2.78Å; L668-G672 PolarHBondContact O-N 3.27Å |
| 669 | Q | 71.4 | Confident | 65.3 | Low | 90 Ų | 90 | 93.3 Ų | 93.3 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.7 | -46.6 | 177 | -72.4 | -176.9 | -15.4 | 0 | 0 | 112.6 | L665 R666 W667 G671 G672 Q673 F721 | L665-Q669 PolarHBondContact O-N 2.95Å; L665-Q669 VanDerWaalsContact O-N 3.09Å; R666-Q669 PolarHBondContact O-N 3.28Å; W667-Q669 VanDerWaalsContact C-N 3.34Å; W667-Q669 PolarHBondContact O-N 2.93Å; Q669-G671 VanDerWaalsContact C-N 3.31Å; Q669-G671 PolarHBondContact O-N 3.29Å; Q669-G672 PolarHBondContact O-N 2.91Å; Q669-G672 VanDerWaalsContact O-N 3.14Å; Q669-Q673 PolarHBondContact O-N 3.45Å; Q669-F721 VanDerWaalsContact CD-CD1 3.49Å |
| 670 | N | 69.4 | Low | 62.8 | Low | 83 Ų | 83 | 101 Ų | 101 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 177 | -71.6 | -1 | 0 | 0 | 0 | 112 | R666 W667 N674 | R666-N670 WeakPolarHBondContact O-CB 3.24Å; R666-N670 PolarHBondContact O-N 3.34Å; W667-N670 PolarHBondContact O-N 3.06Å; N670-N674 PolarHBondContact O-N 3.39Å |
| 671 | G | 58.6 | Low | 60.5 | Low | 31 Ų | 31 | 103.3 Ų | 103.3 | 32% | 0.32 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.6 | -30.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | W667 Q669 R675 | W667-G671 PolarHBondContact O-N 3.5Å; Q669-G671 VanDerWaalsContact C-N 3.31Å; Q669-G671 PolarHBondContact O-N 3.29Å; G671-R675 PolarHBondContact O-N 3.07Å |
| 672 | G | 52.9 | Low | 58 | Low | 30 Ų | 30 | 111.4 Ų | 111.4 | 31% | 0.309 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L668 Q669 N674 R675 L676 | L668-G672 PolarHBondContact O-N 3.27Å; Q669-G672 PolarHBondContact O-N 2.91Å; Q669-G672 VanDerWaalsContact O-N 3.14Å; G672-N674 VanDerWaalsContact C-N 3.34Å; G672-N674 PolarHBondContact O-N 2.86Å; G672-R675 PolarHBondContact O-N 3.27Å; G672-L676 WeakPolarHBondContact O-CB 3.16Å; G672-L676 PolarHBondContact O-N 3.3Å |
| 673 | Q | 47.9 | Very low | 55.3 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 68% | 0.678 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.5 | -38.1 | 174 | -94.7 | 169.2 | -25.5 | 0 | 0 | 112.7 | Q669 | Q669-Q673 PolarHBondContact O-N 3.45Å |
| 674 | N | 43.5 | Very low | 52.8 | Low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75.7 | -19.5 | 175.1 | -88.8 | -7.4 | 0 | 0 | 0 | 114.5 | N670 G672 | N670-N674 PolarHBondContact O-N 3.39Å; G672-N674 VanDerWaalsContact C-N 3.34Å; G672-N674 PolarHBondContact O-N 2.86Å |
| 675 | R | 42.8 | Very low | 50.5 | Low | 196 Ų | 196 | 130.3 Ų | 130.3 | 74% | 0.74 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -93.2 | -27.1 | 174.1 | -75.5 | -171.7 | -173.4 | -167.2 | 2.9 | 113.7 | G671 G672 G677 L678 Y679 | G671-R675 PolarHBondContact O-N 3.07Å; G672-R675 PolarHBondContact O-N 3.27Å; R675-G677 VanDerWaalsContact C-N 3.28Å; R675-G677 PolarHBondContact O-N 3.13Å; R675-L678 PolarHBondContact O-N 3Å; R675-Y679 PolarHBondContact O-N 3.29Å |
| 676 | L | 40.3 | Very low | 47.8 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 72% | 0.723 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.7 | -18.2 | 176.7 | -119.9 | 79.2 | 0 | 0 | 0 | 113.6 | G672 L678 | G672-L676 WeakPolarHBondContact O-CB 3.16Å; G672-L676 PolarHBondContact O-N 3.3Å; L676-L678 VanDerWaalsContact C-N 3.34Å |
| 677 | G | 38.7 | Very low | 45.2 | Very low | 68 Ų | 68 | 146.2 Ų | 146.2 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -21.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R675 | R675-G677 VanDerWaalsContact C-N 3.28Å; R675-G677 PolarHBondContact O-N 3.13Å |
| 678 | L | 39.2 | Very low | 42.4 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -12.8 | -175.8 | -125.2 | 86.4 | 0 | 0 | 0 | 114.4 | R675 L676 | R675-L678 PolarHBondContact O-N 3Å; L676-L678 VanDerWaalsContact C-N 3.34Å |
| 679 | Y | 36.4 | Very low | 39.7 | Very low | 163 Ų | 163 | 144 Ų | 144 | 64% | 0.639 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.3 | 13.3 | -174.6 | -97.1 | -93.8 | 0 | 0 | 0 | 115.1 | R675 G681 | R675-Y679 PolarHBondContact O-N 3.29Å; Y679-G681 PolarHBondContact O-N 2.99Å |
| 680 | R | 34.3 | Very low | 37.5 | Very low | 244 Ų | 244 | 146 Ų | 146 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -1.6 | 172.6 | -154.9 | 174.1 | -177.9 | -177.8 | 0.8 | 113.7 | ||
| 681 | G | 32.2 | Very low | 35.4 | Very low | 63 Ų | 63 | 151.2 Ų | 151.2 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -9.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y679 | Y679-G681 PolarHBondContact O-N 2.99Š|
| 682 | Y | 32.4 | Very low | 33.8 | Very low | 201 Ų | 201 | 158.2 Ų | 158.2 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -133.4 | 18.3 | -164.8 | -90.4 | -81.4 | 0 | 0 | 0 | 116.9 | ||
| 683 | E | 27.4 | Very low | 32.4 | Very low | 186 Ų | 186 | 164.1 Ų | 164.1 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -112.4 | 17.5 | 176.4 | -141.2 | 171 | -164.4 | 0 | 0 | 114.3 | ||
| 684 | R | 32.4 | Very low | 31.2 | Very low | 246 Ų | 246 | 162.5 Ų | 162.5 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -104.6 | 4.8 | 172.1 | -141.1 | -177.7 | -120.6 | 139.2 | -2 | 114.6 | ||
| 685 | V | 34.4 | Very low | 30.2 | Very low | 129 Ų | 129 | 163 Ų | 163 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -134.1 | 122 | 179.6 | -176 | 0 | 0 | 0 | 0 | 108.7 | ||
| 686 | R | 26 | Very low | 29.4 | Very low | 235 Ų | 235 | 162.4 Ų | 162.4 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 98.2 | 58.7 | 168.6 | -146.6 | 173.9 | -171.1 | 161.8 | 2.3 | 117.4 | ||
| 687 | R | 25.7 | Very low | 28.6 | Very low | 260 Ų | 260 | 167.1 Ų | 167.1 | 98% | 0.981 | 82% | 0.821 | S | S | * | * | -145.5 | 79.9 | 121.2 | -109.9 | 175.9 | 179.7 | 162.2 | -0.2 | 109.4 | |||||
| 688 | S | 23.1 | Very low | 27.8 | Very low | 113 Ų | 113 | 168.5 Ų | 168.5 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -124.6 | 159.2 | 160.2 | 175.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 689 | S | 25.4 | Very low | 27.1 | Very low | 107 Ų | 107 | 169.6 Ų | 169.6 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 89.8 | 112.5 | -172.9 | 74.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 690 | V | 25.5 | Very low | 26.4 | Very low | 130 Ų | 130 | 169.2 Ų | 169.2 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | S | Bend | cis | -154.5 | 127.4 | 16.2 | -172.6 | 0 | 0 | 0 | 0 | 104.8 | ||
| 691 | E | 24.6 | Very low | 26 | Very low | 194 Ų | 194 | 164.8 Ų | 164.8 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | -156.1 | 134 | 75 | -82.3 | 173.7 | 159.5 | 0 | 0 | 110.9 | |||||
| 692 | E | 25 | Very low | 25.6 | Very low | 177 Ų | 177 | 168.5 Ų | 168.5 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -114.4 | 135 | 174 | -161.5 | -176 | -156.5 | 0 | 0 | 105.9 | ||||
| 693 | L | 23.2 | Very low | 25.2 | Very low | 154 Ų | 154 | 168 Ų | 168 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | trans | 158.7 | 145.3 | 133.6 | -108.7 | 90.2 | 0 | 0 | 0 | 112.6 | ||||
| 694 | C | 21.9 | Very low | 25.1 | Very low | 112 Ų | 112 | 163 Ų | 163 | 76% | 0.757 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 84.1 | 110.5 | 176.2 | -73.4 | 0 | 0 | 0 | 0 | 115 | ||
| 695 | L | 24.1 | Very low | 24.6 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | cis | -160.6 | 121.7 | 11.4 | -85.1 | 160.6 | 0 | 0 | 0 | 107.3 | ||||
| 696 | L | 26 | Very low | 24 | Very low | 183 Ų | 183 | 154.9 Ų | 154.9 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -130.1 | 103.2 | 150.4 | -91.5 | 170.2 | 0 | 0 | 0 | 106.1 | ||||
| 697 | R | 22.3 | Very low | 24 | Very low | 237 Ų | 237 | 151.9 Ų | 151.9 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | trans | -162.5 | 110.4 | 152.6 | -165.8 | 162.2 | -173.2 | 152.4 | 1.8 | 111.5 | ||||
| 698 | S | 22.5 | Very low | 23.9 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | 173.3 | 106.6 | 131.5 | 51.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 699 | E | 23.8 | Very low | 23.9 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | 83.3 | 105.1 | 112.3 | -72.9 | 176.3 | 176.2 | 0 | 0 | 111.3 | |||||
| 700 | D | 23 | Very low | 24 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | 87 | 136.5 | 82.7 | -82.1 | -22.1 | 0 | 0 | 0 | 113.4 | |||||
| 701 | M | 24.3 | Very low | 24.1 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | 92.3 | 124.8 | 158.7 | -70.7 | -161.7 | 113.7 | 0 | 0 | 122.9 | ||||
| 702 | E | 25.1 | Very low | 24.1 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 66% | 0.659 | 79% | 0.794 | S | S | * | * | trans | 75.5 | 108.6 | 133.7 | -71.1 | -178 | 167.8 | 0 | 0 | 119.3 | ||||
| 703 | E | 24.3 | Very low | 24.2 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | 76.8 | 124.9 | 93.6 | -83.8 | -165.8 | 167.5 | 0 | 0 | 113.7 | |||||
| 704 | G | 24.4 | Very low | 24.3 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 154.8 | 86.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 705 | S | 21.8 | Very low | 24.5 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -54.8 | 159.3 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 706 | S | 22.8 | Very low | 24.7 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | 102 | 112.9 | 145.6 | 75.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 707 | H | 24.5 | Very low | 24.9 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | 176.8 | 113.7 | 115.7 | -96 | -76 | 0 | 0 | 0 | 111.7 | |||||
| 708 | S | 24 | Very low | 25.5 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | 35.2 | 113 | 138.6 | 55.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 709 | D | 24 | Very low | 26.3 | Very low | 165 Ų | 165 | 135.2 Ų | 135.2 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | 16.1 | 103.5 | 135.1 | -59 | -30.5 | 0 | 0 | 0 | 117.8 | ||||
| 710 | L | 26.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -151.5 | 108.9 | 130.5 | -159.6 | 70.6 | 0 | 0 | 0 | 109.3 | S712 | L710-S712 PolarHBondContact O-N 3.43Å; L710-S712 VanDerWaalsContact O-N 3.1Å | ||
| 711 | S | 28.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -51.3 | 108.4 | 167.5 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 712 | S | 24.4 | Very low | 31.9 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | trans | -113.6 | 79.6 | 149.6 | 58.8 | 0 | 0 | 0 | 0 | 107.6 | L710 G714 | L710-S712 PolarHBondContact O-N 3.43Å; L710-S712 VanDerWaalsContact O-N 3.1Å; S712-G714 VanDerWaalsContact C-N 3.27Å; S712-G714 PolarHBondContact O-N 3.24Å | ||
| 713 | S | 26.4 | Very low | 34.7 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | trans | -52.4 | 97.6 | 154.4 | 28.4 | 0 | 0 | 0 | 0 | 107.9 | E715 | S713-E715 PolarHBondContact O-N 3.44Š| ||
| 714 | G | 26.6 | Very low | 37.6 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 74% | 0.742 | 69% | 0.693 | S | S | * | * | trans | -62.5 | 92.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | S712 H716 | S712-G714 VanDerWaalsContact C-N 3.27Å; S712-G714 PolarHBondContact O-N 3.24Å; G714-H716 VanDerWaalsContact C-N 3.35Å; G714-H716 PolarHBondContact O-N 3.41Å | ||
| 715 | E | 25.8 | Very low | 40.7 | Very low | 157 Ų | 157 | 118.7 Ų | 118.7 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | trans | -58.6 | 98 | 174.2 | -75.8 | -178.4 | 156.7 | 0 | 0 | 108.8 | S713 L717 | S713-E715 PolarHBondContact O-N 3.44Å; E715-L717 PolarHBondContact O-N 2.94Å | ||
| 716 | H | 29 | Very low | 43.7 | Very low | 182 Ų | 182 | 115.4 Ų | 115.4 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | trans | -61.5 | 90.1 | 148 | -105.7 | -77.5 | 0 | 0 | 0 | 106.9 | G714 S718 | G714-H716 VanDerWaalsContact C-N 3.35Å; G714-H716 PolarHBondContact O-N 3.41Å; H716-S718 PolarHBondContact O-N 3.09Å | ||
| 717 | L | 29.7 | Very low | 46.9 | Very low | 141 Ų | 141 | 114.6 Ų | 114.6 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | trans | -68 | 77.4 | 157.3 | -85.5 | 155.7 | 0 | 0 | 0 | 107.3 | E715 E719 | E715-L717 PolarHBondContact O-N 2.94Å; L717-E719 PolarHBondContact O-N 2.97Å | ||
| 718 | S | 34.2 | Very low | 50.1 | Low | 97 Ų | 97 | 111.3 Ų | 111.3 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | trans | -63.4 | 99.3 | 147.1 | 53.2 | 0 | 0 | 0 | 0 | 105.1 | H716 E720 | H716-S718 PolarHBondContact O-N 3.09Å; S718-E720 PolarHBondContact O-N 3.22Å | ||
| 719 | E | 40 | Very low | 53.2 | Low | 182 Ų | 182 | 112.3 Ų | 112.3 | 85% | 0.85 | 62% | 0.618 | S | S | * | * | trans | -46.6 | 110.4 | 171.5 | -74.2 | -178.6 | 159.5 | 0 | 0 | 107.9 | L717 F721 | L717-E719 PolarHBondContact O-N 2.97Å; E719-F721 PolarHBondContact O-N 3.32Å; E719-F721 VanDerWaalsContact O-N 3.08Å | ||
| 720 | E | 47.1 | Very low | 56.3 | Low | 184 Ų | 184 | 104.7 Ų | 104.7 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | trans | -57.5 | 118.1 | 169.5 | -73.4 | -172.3 | 154.3 | 0 | 0 | 106.3 | S718 N722 | S718-E720 PolarHBondContact O-N 3.22Å; E720-N722 PolarHBondContact O-N 3.02Å | ||
| 721 | F | 61.4 | Low | 59.4 | Low | 69 Ų | 69 | 97.8 Ų | 97.8 | 30% | 0.303 | 54% | 0.543 | S | S | . | . | trans | -63.6 | 100.3 | 179.5 | 175.5 | -98.8 | 0 | 0 | 0 | 109.1 | L665 Q669 E719 F723 E726 | L665-F721 HydrophobicContact CB-CE1 4.42Å; L665-F721 HydrophobicContact CB-CE2 4.2Å; L665-F721 HydrophobicContact CB-CZ 3.67Å; L665-F721 HydrophobicContact CD1-CE2 3.91Å; L665-F721 HydrophobicContact CD1-CZ 4.05Å; L665-F721 HydrophobicContact CG-CZ 4.48Å; Q669-F721 VanDerWaalsContact CD-CD1 3.49Å; E719-F721 PolarHBondContact O-N 3.32Å; E719-F721 VanDerWaalsContact O-N 3.08Å; F721-F723 HydrophobicContact CE1-CB 4.18Å; F721-F723 HydrophobicContact CE1-CD2 4.39Å; F721-F723 PolarHBondContact O-N 3.42Å; F721-E726 HydrophobicContact CE2-CB 4.11Å; F721-E726 HydrophobicContact CE2-CG 4.09Å; F721-E726 HydrophobicContact CZ-CB 4.14Å; F721-E726 HydrophobicContact CZ-CG 4.15Å | ||
| 722 | N | 80 | Confident | 62.4 | Low | 77 Ų | 77 | 97 Ų | 97 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | trans | -85 | 103.2 | 176.1 | -168.5 | -2.4 | 0 | 0 | 0 | 109.1 | E720 A724 D725 E726 | E720-N722 PolarHBondContact O-N 3.02Å; N722-A724 PolarHBondContact O-N 3.25Å; N722-A724 WeakPolarHBondContact OD1-CB 3.11Å; N722-A724 PolarHBondContact OD1-N 3.03Å; N722-D725 HydrophobicContact CB-CB 4.1Å; N722-D725 VanDerWaalsContact CB-OD2 3.32Å; N722-D725 WeakPolarHBondContact CB-OD2 3.39Å; N722-D725 PolarHBondContact ND2-OD1 3.48Å; N722-D725 PolarHBondContact ND2-OD2 2.82Å; N722-D725 PolarHBondContact O-N 3.03Å; N722-D725 VanDerWaalsContact O-N 3.12Å; N722-E726 PolarHBondContact O-N 3.11Å; N722-E726 VanDerWaalsContact O-N 3.16Å | ||
| 723 | F | 83.3 | Confident | 65.6 | Low | 64 Ų | 64 | 94.5 Ų | 94.5 | 28% | 0.281 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -55.3 | -33.4 | 177.1 | 176.3 | -95.4 | 0 | 0 | 0 | 112.2 | P662 R666 F721 F727 | P662-F723 HydrophobicContact CB-CE2 3.88Å; P662-F723 HydrophobicContact CB-CZ 4.36Å; P662-F723 WeakPolarHBondContact O-CE2 3.5Å; R666-F723 HydrophobicContact CB-CD2 3.98Å; R666-F723 HydrophobicContact CB-CE2 3.93Å; R666-F723 HydrophobicContact CG-CD2 4.36Å; R666-F723 HydrophobicContact CG-CE2 4.41Å; F721-F723 HydrophobicContact CE1-CB 4.18Å; F721-F723 HydrophobicContact CE1-CD2 4.39Å; F721-F723 PolarHBondContact O-N 3.42Å; F723-F727 HydrophobicContact CE1-CB 4.49Å; F723-F727 VanDerWaalsContact O-CB 3.25Å; F723-F727 WeakPolarHBondContact O-CB 3.46Å; F723-F727 PolarHBondContact O-N 2.85Å |
| 724 | A | 86.5 | Confident | 68.6 | Low | 55 Ų | 55 | 90 Ų | 90 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N722 F727 L728 | N722-A724 PolarHBondContact O-N 3.25Å; N722-A724 WeakPolarHBondContact OD1-CB 3.11Å; N722-A724 PolarHBondContact OD1-N 3.03Å; A724-F727 PolarHBondContact O-N 3.11Å; A724-L728 WeakPolarHBondContact O-CB 3.3Å; A724-L728 PolarHBondContact O-N 3.22Å |
| 725 | D | 88.6 | Confident | 71.7 | Confident | 96 Ų | 96 | 91.4 Ų | 91.4 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.4 | -42.6 | -179.3 | -63.3 | -17.7 | 0 | 0 | 0 | 111.1 | N722 F727 L728 H729 | N722-D725 HydrophobicContact CB-CB 4.1Å; N722-D725 VanDerWaalsContact CB-OD2 3.32Å; N722-D725 WeakPolarHBondContact CB-OD2 3.39Å; N722-D725 PolarHBondContact ND2-OD1 3.48Å; N722-D725 PolarHBondContact ND2-OD2 2.82Å; N722-D725 PolarHBondContact O-N 3.03Å; N722-D725 VanDerWaalsContact O-N 3.12Å; D725-F727 PolarHBondContact O-N 3.17Å; D725-L728 PolarHBondContact O-N 2.92Å; D725-H729 VanDerWaalsContact O-CB 3.32Å; D725-H729 WeakPolarHBondContact O-CB 3.44Å; D725-H729 PolarHBondContact O-N 3.45Å |
| 726 | E | 85.3 | Confident | 74.9 | Confident | 41 Ų | 41 | 88.8 Ų | 88.8 | 19% | 0.192 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 176.7 | -175.2 | 63.8 | -151.1 | 0 | 0 | 111.7 | K661 L665 F721 N722 Q730 | K661-E726 WeakPolarHBondContact CD-OE1 3.31Å; K661-E726 WeakPolarHBondContact CE-OE1 3.48Å; K661-E726 IonicContact NZ-OE1 3.46Å; K661-E726 PolarHBondContact NZ-OE1 3.49Å; L665-E726 HydrophobicContact CD1-CG 4Å; F721-E726 HydrophobicContact CE2-CB 4.11Å; F721-E726 HydrophobicContact CE2-CG 4.09Å; F721-E726 HydrophobicContact CZ-CB 4.14Å; F721-E726 HydrophobicContact CZ-CG 4.15Å; N722-E726 PolarHBondContact O-N 3.11Å; N722-E726 VanDerWaalsContact O-N 3.16Å; E726-Q730 VanDerWaalsContact O-CB 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.49Å; E726-Q730 PolarHBondContact O-N 3.42Å |
| 727 | F | 89.6 | Confident | 77.8 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 34% | 0.342 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 175.3 | 179 | -101.5 | 0 | 0 | 0 | 111.8 | L658 L659 P662 F723 A724 D725 Q730 A731 | L658-F727 HydrophobicContact CD2-CE2 3.82Å; L658-F727 HydrophobicContact CD2-CZ 4.08Å; L659-F727 HydrophobicContact CD2-CE2 3.93Å; P662-F727 HydrophobicContact CB-CB 4.42Å; P662-F727 HydrophobicContact CB-CD2 4.35Å; P662-F727 HydrophobicContact CG-CD2 3.99Å; F723-F727 HydrophobicContact CE1-CB 4.49Å; F723-F727 VanDerWaalsContact O-CB 3.25Å; F723-F727 WeakPolarHBondContact O-CB 3.46Å; F723-F727 PolarHBondContact O-N 2.85Å; A724-F727 PolarHBondContact O-N 3.11Å; D725-F727 PolarHBondContact O-N 3.17Å; F727-Q730 PolarHBondContact O-N 2.99Å; F727-A731 WeakPolarHBondContact O-CB 3.4Å; F727-A731 PolarHBondContact O-N 3.03Å |
| 728 | L | 90.9 | Very high | 80.7 | Confident | 103 Ų | 103 | 75 Ų | 75 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.2 | 179.3 | 64.6 | 0 | 0 | 0 | 111.1 | A724 D725 Q730 A731 I732 | A724-L728 WeakPolarHBondContact O-CB 3.3Å; A724-L728 PolarHBondContact O-N 3.22Å; D725-L728 PolarHBondContact O-N 2.92Å; L728-Q730 VanDerWaalsContact C-N 3.35Å; L728-Q730 PolarHBondContact O-N 2.87Å; L728-A731 PolarHBondContact O-N 3.49Å; L728-I732 HydrophobicContact CD1-CD1 4.29Å; L728-I732 HydrophobicContact CG-CD1 4.12Å; L728-I732 WeakPolarHBondContact O-CG1 3.45Å; L728-I732 PolarHBondContact O-N 3.16Å |
| 729 | H | 89.3 | Confident | 83.3 | Confident | 114 Ų | 114 | 76 Ų | 76 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.6 | -176.9 | 74.7 | 0 | 0 | 0 | 111.6 | D725 A731 I732 H733 | D725-H729 VanDerWaalsContact O-CB 3.32Å; D725-H729 WeakPolarHBondContact O-CB 3.44Å; D725-H729 PolarHBondContact O-N 3.45Å; H729-A731 PolarHBondContact O-N 3.43Å; H729-I732 PolarHBondContact O-N 3.4Å; H729-H733 WeakPolarHBondContact O-CB 3.43Å; H729-H733 PolarHBondContact O-N 3.06Å |
| 730 | Q | 89.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.023 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 177.6 | -171.1 | 65.4 | 22.8 | 0 | 0 | 112.7 | L657 K661 E726 F727 L728 H733 T734 | L657-Q730 PolarHBondContact O-NE2 3.44Å; K661-Q730 VanDerWaalsContact CD-OE1 3.32Å; E726-Q730 VanDerWaalsContact O-CB 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.49Å; E726-Q730 PolarHBondContact O-N 3.42Å; F727-Q730 PolarHBondContact O-N 2.99Å; L728-Q730 VanDerWaalsContact C-N 3.35Å; L728-Q730 PolarHBondContact O-N 2.87Å; Q730-H733 PolarHBondContact O-N 3.3Å; Q730-T734 WeakPolarHBondContact O-CB 3.33Å; Q730-T734 PolarHBondContact O-N 3.2Å; Q730-T734 PolarHBondContact O-OG1 3.35Å |
| 731 | A | 91.2 | Very high | 87.7 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F727 L728 H729 T734 I735 | F727-A731 WeakPolarHBondContact O-CB 3.4Å; F727-A731 PolarHBondContact O-N 3.03Å; L728-A731 PolarHBondContact O-N 3.49Å; H729-A731 PolarHBondContact O-N 3.43Å; A731-T734 PolarHBondContact O-N 2.84Å; A731-I735 WeakPolarHBondContact O-CG1 3.41Å; A731-I735 PolarHBondContact O-N 3.1Å |
| 732 | I | 91.9 | Very high | 89.1 | Confident | 90 Ų | 90 | 60.5 Ų | 60.5 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -50.1 | 174.7 | -66.3 | 166.6 | 0 | 0 | 0 | 109.9 | L728 H729 T734 I735 E736 | L728-I732 HydrophobicContact CD1-CD1 4.29Å; L728-I732 HydrophobicContact CG-CD1 4.12Å; L728-I732 WeakPolarHBondContact O-CG1 3.45Å; L728-I732 PolarHBondContact O-N 3.16Å; H729-I732 PolarHBondContact O-N 3.4Å; I732-T734 VanDerWaalsContact C-N 3.3Å; I732-T734 PolarHBondContact O-N 3.21Å; I732-I735 PolarHBondContact O-N 3.05Å; I732-E736 WeakPolarHBondContact O-CB 3.37Å; I732-E736 PolarHBondContact O-N 3.01Å |
| 733 | H | 90.1 | Very high | 89.7 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 178.9 | -178.8 | -96.4 | 0 | 0 | 0 | 112.7 | E584 H729 Q730 Y737 | E584-H733 IonicContact OE1-CE1 2.99Å; E584-H733 PolarHBondContact OE1-CE1 2.87Å; H729-H733 WeakPolarHBondContact O-CB 3.43Å; H729-H733 PolarHBondContact O-N 3.06Å; Q730-H733 PolarHBondContact O-N 3.3Å; H733-Y737 VanDerWaalsContact O-CB 3.24Å; H733-Y737 WeakPolarHBondContact O-CB 3.27Å; H733-Y737 PolarHBondContact O-N 2.87Å |
| 734 | T | 91.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 178.2 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | V654 L657 L658 Q730 A731 I732 Y737 C738 | V654-T734 HydrophobicContact CG1-CG2 4.31Å; L657-T734 HydrophobicContact CB-CG2 4.3Å; L657-T734 HydrophobicContact CD2-CG2 4.01Å; L657-T734 HydrophobicContact CG-CG2 4.16Å; L658-T734 HydrophobicContact CB-CG2 4.18Å; L658-T734 HydrophobicContact CD1-CG2 4.42Å; Q730-T734 WeakPolarHBondContact O-CB 3.33Å; Q730-T734 PolarHBondContact O-N 3.2Å; Q730-T734 PolarHBondContact O-OG1 3.35Å; A731-T734 PolarHBondContact O-N 2.84Å; I732-T734 VanDerWaalsContact C-N 3.3Å; I732-T734 PolarHBondContact O-N 3.21Å; T734-Y737 PolarHBondContact O-N 2.8Å; T734-C738 WeakPolarHBondContact O-CB 3.44Å; T734-C738 PolarHBondContact O-N 3.09Å; T734-C738 PolarHBondContact O-SG 3.33Å; T734-C738 VanDerWaalsContact O-SG 3.41Å |
| 735 | I | 91.8 | Very high | 90.3 | Very high | 100 Ų | 100 | 55.8 Ų | 55.8 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 179.2 | -67.8 | 167.6 | 0 | 0 | 0 | 110.3 | A731 I732 Y737 C738 L739 | A731-I735 WeakPolarHBondContact O-CG1 3.41Å; A731-I735 PolarHBondContact O-N 3.1Å; I732-I735 PolarHBondContact O-N 3.05Å; I735-Y737 PolarHBondContact O-N 3.36Å; I735-C738 PolarHBondContact O-N 3.3Å; I735-L739 HydrophobicContact CG2-CD1 3.77Å; I735-L739 HydrophobicContact CG2-CG 4.45Å; I735-L739 WeakPolarHBondContact O-CB 3.33Å; I735-L739 WeakPolarHBondContact O-CG 3.32Å; I735-L739 PolarHBondContact O-N 3Å |
| 736 | E | 91.4 | Very high | 90.3 | Very high | 102 Ų | 102 | 53.9 Ų | 53.9 | 48% | 0.477 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61 | -44 | 178.2 | -172.5 | -177.1 | 167.4 | 0 | 0 | 111.2 | I732 G740 N822 | I732-E736 WeakPolarHBondContact O-CB 3.37Å; I732-E736 PolarHBondContact O-N 3.01Å; E736-G740 WeakPolarHBondContact O-CA 3.48Å; E736-G740 PolarHBondContact O-N 3.38Å; E736-N822 PolarHBondContact OE1-ND2 3.02Å |
| 737 | Y | 90.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 179 | -176.8 | -88.7 | 0 | 0 | 0 | 112 | E584 F587 L657 H733 T734 I735 G740 C741 K823 | E584-Y737 VanDerWaalsContact C-OH 3.28Å; E584-Y737 HydrophobicContact CB-CE1 3.84Å; E584-Y737 HydrophobicContact CB-CE2 3.93Å; E584-Y737 VanDerWaalsContact CB-CZ 3.46Å; E584-Y737 WeakPolarHBondContact CB-OH 3.35Å; E584-Y737 HydrophobicContact CG-CD1 3.99Å; E584-Y737 HydrophobicContact CG-CD2 3.96Å; E584-Y737 HydrophobicContact CG-CE1 3.68Å; E584-Y737 HydrophobicContact CG-CE2 3.64Å; E584-Y737 HydrophobicContact CG-CG 4.14Å; E584-Y737 PolarHBondContact O-OH 3.26Å; F587-Y737 HydrophobicContact CD1-CE1 4.11Å; L657-Y737 HydrophobicContact CD2-CD1 4.37Å; H733-Y737 VanDerWaalsContact O-CB 3.24Å; H733-Y737 WeakPolarHBondContact O-CB 3.27Å; H733-Y737 PolarHBondContact O-N 2.87Å; T734-Y737 PolarHBondContact O-N 2.8Å; I735-Y737 PolarHBondContact O-N 3.36Å; Y737-G740 PolarHBondContact O-N 2.98Å; Y737-C741 WeakPolarHBondContact CE1-SG 3.44Å; Y737-C741 VanDerWaalsContact CZ-SG 3.5Å; Y737-C741 PolarHBondContact O-N 3.06Å; Y737-C741 PolarHBondContact O-SG 3.4Å; Y737-K823 HydrophobicContact CD2-CD 4.27Å; Y737-K823 HydrophobicContact CE2-CD 3.86Å |
| 738 | C | 90 | Very high | 90.9 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -49.4 | -177.3 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | F587 T734 I735 G740 C741 | F587-C738 HydrophobicContact CE1-CB 4.39Å; F587-C738 HydrophobicContact CZ-CB 4.22Å; T734-C738 WeakPolarHBondContact O-CB 3.44Å; T734-C738 PolarHBondContact O-N 3.09Å; T734-C738 PolarHBondContact O-SG 3.33Å; T734-C738 VanDerWaalsContact O-SG 3.41Å; I735-C738 PolarHBondContact O-N 3.3Å; C738-G740 VanDerWaalsContact C-N 3.35Å; C738-C741 PolarHBondContact O-N 3.12Å |
| 739 | L | 90.5 | Very high | 91 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 61% | 0.613 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 176.3 | -67 | 177.3 | 0 | 0 | 0 | 111.3 | I735 C741 I742 S743 | I735-L739 HydrophobicContact CG2-CD1 3.77Å; I735-L739 HydrophobicContact CG2-CG 4.45Å; I735-L739 WeakPolarHBondContact O-CB 3.33Å; I735-L739 WeakPolarHBondContact O-CG 3.32Å; I735-L739 PolarHBondContact O-N 3Å; L739-C741 VanDerWaalsContact C-N 3.35Å; L739-C741 PolarHBondContact O-N 3.18Å; L739-I742 PolarHBondContact O-N 3.4Å; L739-S743 PolarHBondContact O-N 2.87Å |
| 740 | G | 89.8 | Confident | 91.2 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E736 Y737 C738 I742 S743 N744 | E736-G740 WeakPolarHBondContact O-CA 3.48Å; E736-G740 PolarHBondContact O-N 3.38Å; Y737-G740 PolarHBondContact O-N 2.98Å; C738-G740 VanDerWaalsContact C-N 3.35Å; G740-I742 VanDerWaalsContact C-N 3.32Å; G740-I742 PolarHBondContact O-N 2.85Å; G740-S743 PolarHBondContact O-N 3.1Å; G740-N744 WeakPolarHBondContact O-CA 3.42Å; G740-N744 WeakPolarHBondContact O-CB 3.36Å; G740-N744 PolarHBondContact O-N 3.35Å; G740-N744 PolarHBondContact O-ND2 3.44Å; G740-N744 PolarHBondContact O-OD1 2.99Å |
| 741 | C | 88.6 | Confident | 91.4 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -40 | 177.2 | -73.5 | 0 | 0 | 0 | 0 | 112.6 | F587 L588 F592 Y737 C738 L739 T745 | F587-C741 HydrophobicContact CD1-CB 4.44Å; F587-C741 HydrophobicContact CE1-CB 4.04Å; L588-C741 HydrophobicContact CD1-CB 4.47Å; F592-C741 HydrophobicContact CE2-CB 4.4Å; Y737-C741 WeakPolarHBondContact CE1-SG 3.44Å; Y737-C741 VanDerWaalsContact CZ-SG 3.5Å; Y737-C741 PolarHBondContact O-N 3.06Å; Y737-C741 PolarHBondContact O-SG 3.4Å; C738-C741 PolarHBondContact O-N 3.12Å; L739-C741 VanDerWaalsContact C-N 3.35Å; L739-C741 PolarHBondContact O-N 3.18Å; C741-T745 WeakPolarHBondContact O-CB 3.47Å; C741-T745 PolarHBondContact O-N 3.4Å; C741-T745 PolarHBondContact O-OG1 3.3Å |
| 742 | I | 90.9 | Very high | 91.6 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 49% | 0.492 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.8 | -49.8 | 178 | -58.6 | 170 | 0 | 0 | 0 | 110.1 | F592 L739 G740 T745 A746 | F592-I742 HydrophobicContact CE2-CG1 4.3Å; F592-I742 HydrophobicContact CZ-CB 4.35Å; F592-I742 HydrophobicContact CZ-CG1 4.05Å; L739-I742 PolarHBondContact O-N 3.4Å; G740-I742 VanDerWaalsContact C-N 3.32Å; G740-I742 PolarHBondContact O-N 2.85Å; I742-T745 PolarHBondContact O-N 3.44Å; I742-A746 PolarHBondContact O-N 3.5Å; I742-A746 VanDerWaalsContact O-N 3.11Å |
| 743 | S | 92.5 | Very high | 91.6 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 53% | 0.531 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 179.9 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | L739 G740 T745 A746 S747 | L739-S743 PolarHBondContact O-N 2.87Å; G740-S743 PolarHBondContact O-N 3.1Å; S743-T745 PolarHBondContact O-N 3.19Å; S743-A746 PolarHBondContact O-N 2.99Å; S743-S747 WeakPolarHBondContact O-CB 3.48Å; S743-S747 PolarHBondContact O-N 3.39Å |
| 744 | N | 91.1 | Very high | 91.8 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -39 | -179.1 | -65.6 | -5.1 | 0 | 0 | 0 | 111.3 | M557 G740 S747 Y748 E819 | M557-N744 HydrophobicContact SD-CB 3.69Å; G740-N744 WeakPolarHBondContact O-CA 3.42Å; G740-N744 WeakPolarHBondContact O-CB 3.36Å; G740-N744 PolarHBondContact O-N 3.35Å; G740-N744 PolarHBondContact O-ND2 3.44Å; G740-N744 PolarHBondContact O-OD1 2.99Å; N744-S747 VanDerWaalsContact O-CB 3.27Å; N744-S747 WeakPolarHBondContact O-CB 3.36Å; N744-S747 PolarHBondContact O-N 3.46Å; N744-Y748 WeakPolarHBondContact O-CD2 3.12Å; N744-Y748 PolarHBondContact O-N 3.17Å; N744-E819 HydrophobicContact CB-CB 4.36Å; N744-E819 HydrophobicContact CB-CG 3.76Å |
| 745 | T | 90.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.1 | -53 | 0 | 0 | 0 | 0 | 111.5 | V554 M557 F592 C741 I742 S743 S747 Y748 | V554-T745 HydrophobicContact CG2-CG2 4.1Å; M557-T745 HydrophobicContact CE-CG2 4.4Å; M557-T745 WeakPolarHBondContact CE-OG1 3.29Å; F592-T745 HydrophobicContact CD1-CG2 3.64Å; F592-T745 HydrophobicContact CE1-CG2 3.8Å; F592-T745 HydrophobicContact CG-CG2 4.23Å; C741-T745 WeakPolarHBondContact O-CB 3.47Å; C741-T745 PolarHBondContact O-N 3.4Å; C741-T745 PolarHBondContact O-OG1 3.3Å; I742-T745 PolarHBondContact O-N 3.44Å; S743-T745 PolarHBondContact O-N 3.19Å; T745-S747 VanDerWaalsContact C-N 3.31Å; T745-S747 PolarHBondContact O-N 2.97Å; T745-Y748 PolarHBondContact O-N 2.99Å |
| 746 | A | 90.7 | Very high | 91.9 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.1 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I742 S743 Y748 L749 | I742-A746 PolarHBondContact O-N 3.5Å; I742-A746 VanDerWaalsContact O-N 3.11Å; S743-A746 PolarHBondContact O-N 2.99Å; A746-Y748 PolarHBondContact O-N 3.36Å; A746-L749 WeakPolarHBondContact O-CB 3.29Å; A746-L749 VanDerWaalsContact O-CG 3.27Å; A746-L749 WeakPolarHBondContact O-CG 3.3Å; A746-L749 PolarHBondContact O-N 2.95Å |
| 747 | S | 92.1 | Very high | 91.9 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -32.7 | 177.3 | -169.5 | 0 | 0 | 0 | 0 | 113 | S743 N744 T745 L749 R750 E819 | S743-S747 WeakPolarHBondContact O-CB 3.48Å; S743-S747 PolarHBondContact O-N 3.39Å; N744-S747 VanDerWaalsContact O-CB 3.27Å; N744-S747 WeakPolarHBondContact O-CB 3.36Å; N744-S747 PolarHBondContact O-N 3.46Å; T745-S747 VanDerWaalsContact C-N 3.31Å; T745-S747 PolarHBondContact O-N 2.97Å; S747-L749 PolarHBondContact O-N 2.87Å; S747-L749 VanDerWaalsContact O-N 3.14Å; S747-R750 WeakPolarHBondContact O-CB 3.34Å; S747-R750 VanDerWaalsContact O-CG 3.26Å; S747-R750 WeakPolarHBondContact O-CG 3.37Å; S747-R750 PolarHBondContact O-N 2.85Å; S747-R750 VanDerWaalsContact O-N 3.13Å; S747-R750 PolarHBondContact OG-NH1 3.32Å; S747-R750 PolarHBondContact OG-NH2 3.35Å; S747-R750 VanDerWaalsContact OG-NH2 3.16Å; S747-E819 VanDerWaalsContact CB-OE1 3.31Å; S747-E819 WeakPolarHBondContact CB-OE1 3.27Å; S747-E819 PolarHBondContact OG-OE1 3.48Å |
| 748 | Y | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.9 | 175.7 | -79.1 | -76.7 | 0 | 0 | 0 | 114.1 | L410 S549 G553 H556 M557 N744 T745 A746 R750 L751 L815 E819 | L410-Y748 HydrophobicContact CD1-CE1 4.45Å; S549-Y748 WeakPolarHBondContact CB-O 3.42Å; G553-Y748 VanDerWaalsContact CA-CD2 3.42Å; H556-Y748 AromaticContact ND1-CZ 3.78Å; H556-Y748 PolarHBondContact ND1-OH 3.2Å; M557-Y748 HydrophobicContact CE-CD2 4.05Å; M557-Y748 HydrophobicContact CE-CE2 3.91Å; M557-Y748 HydrophobicContact CG-CE2 3.67Å; M557-Y748 HydrophobicContact SD-CD2 4.36Å; M557-Y748 HydrophobicContact SD-CE2 3.77Å; N744-Y748 WeakPolarHBondContact O-CD2 3.12Å; N744-Y748 PolarHBondContact O-N 3.17Å; T745-Y748 PolarHBondContact O-N 2.99Å; A746-Y748 PolarHBondContact O-N 3.36Å; Y748-R750 PolarHBondContact O-N 2.91Å; Y748-R750 VanDerWaalsContact O-N 3.08Å; Y748-L751 HydrophobicContact CD1-CD1 3.8Å; Y748-L751 WeakPolarHBondContact O-CB 3.35Å; Y748-L751 PolarHBondContact O-N 3.33Å; Y748-L815 HydrophobicContact CD1-CD1 4.01Å; Y748-L815 HydrophobicContact CD1-CD2 3.82Å; Y748-L815 HydrophobicContact CD1-CG 4.47Å; Y748-L815 HydrophobicContact CE1-CB 4.26Å; Y748-L815 HydrophobicContact CE1-CD1 4.01Å; Y748-L815 HydrophobicContact CE1-CD2 3.76Å; Y748-L815 HydrophobicContact CE1-CG 4.22Å; Y748-L815 HydrophobicContact CG-CD2 4.28Å; Y748-E819 HydrophobicContact CE2-CB 3.91Å; Y748-E819 HydrophobicContact CE2-CG 4.16Å; Y748-E819 WeakPolarHBondContact OH-CB 3.33Å |
| 749 | L | 93 | Very high | 92 | Very high | 62 Ų | 62 | 37.1 Ų | 37.1 | 33% | 0.325 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.5 | -19.2 | 171.7 | -66.3 | 175.6 | 0 | 0 | 0 | 112.8 | M546 V550 A746 S747 L751 W752 A753 | M546-L749 HydrophobicContact CG-CD2 3.89Å; V550-L749 HydrophobicContact CG2-CD2 4.1Å; A746-L749 WeakPolarHBondContact O-CB 3.29Å; A746-L749 VanDerWaalsContact O-CG 3.27Å; A746-L749 WeakPolarHBondContact O-CG 3.3Å; A746-L749 PolarHBondContact O-N 2.95Å; S747-L749 PolarHBondContact O-N 2.87Å; S747-L749 VanDerWaalsContact O-N 3.14Å; L749-L751 PolarHBondContact O-N 3.48Å; L749-W752 HydrophobicContact CB-CE3 4.4Å; L749-W752 HydrophobicContact CD2-CE3 4.35Å; L749-W752 WeakPolarHBondContact O-CB 3.33Å; L749-W752 PolarHBondContact O-N 3.35Å; L749-W752 VanDerWaalsContact O-N 3.07Å; L749-A753 PolarHBondContact O-N 3.27Å |
| 750 | R | 94.5 | Very high | 92 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.2 | -37.3 | 170.5 | -69.2 | 179.8 | -164.8 | 133.9 | 10.4 | 112.8 | S747 Y748 W752 A753 L754 E819 | S747-R750 WeakPolarHBondContact O-CB 3.34Å; S747-R750 VanDerWaalsContact O-CG 3.26Å; S747-R750 WeakPolarHBondContact O-CG 3.37Å; S747-R750 PolarHBondContact O-N 2.85Å; S747-R750 VanDerWaalsContact O-N 3.13Å; S747-R750 PolarHBondContact OG-NH1 3.32Å; S747-R750 PolarHBondContact OG-NH2 3.35Å; S747-R750 VanDerWaalsContact OG-NH2 3.16Å; Y748-R750 PolarHBondContact O-N 2.91Å; Y748-R750 VanDerWaalsContact O-N 3.08Å; R750-W752 PolarHBondContact O-N 2.84Å; R750-A753 PolarHBondContact O-N 3.4Å; R750-L754 PolarHBondContact O-N 3.5Å; R750-E819 IonicContact NH1-OE1 3.95Å |
| 751 | L | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55 | -42.4 | 176.8 | -69 | 169 | 0 | 0 | 0 | 111 | L410 V413 M414 L552 Y748 L749 S755 L815 | L410-L751 HydrophobicContact CB-CD2 4.25Å; L410-L751 HydrophobicContact CD2-CD1 4.21Å; L410-L751 HydrophobicContact CD2-CD2 4.21Å; V413-L751 HydrophobicContact CB-CD2 4.41Å; V413-L751 HydrophobicContact CG1-CB 4.24Å; V413-L751 HydrophobicContact CG1-CD2 4.27Å; M414-L751 HydrophobicContact CE-CD2 3.36Å; M414-L751 HydrophobicContact CE-CG 4.03Å; M414-L751 HydrophobicContact CG-CD2 3.78Å; M414-L751 HydrophobicContact SD-CD2 4.4Å; L552-L751 HydrophobicContact CB-CD1 4.39Å; Y748-L751 HydrophobicContact CD1-CD1 3.8Å; Y748-L751 WeakPolarHBondContact O-CB 3.35Å; Y748-L751 PolarHBondContact O-N 3.33Å; L749-L751 PolarHBondContact O-N 3.48Å; L751-S755 WeakPolarHBondContact O-CB 3.39Å; L751-S755 PolarHBondContact O-N 3.28Å; L751-L815 HydrophobicContact CD2-CD1 3.96Å; L751-L815 HydrophobicContact CG-CD1 4.05Å |
| 752 | W | 94.3 | Very high | 92.2 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.6 | -49.6 | 177.2 | 157.7 | 51.7 | 0 | 0 | 0 | 111.8 | N542 K545 M546 L749 R750 L754 S755 L756 | N542-W752 WeakPolarHBondContact OD1-CZ2 3.19Å; N542-W752 PolarHBondContact OD1-NE1 3.37Å; K545-W752 HydrophobicContact CB-CB 4.35Å; K545-W752 VanDerWaalsContact CB-CD1 3.41Å; K545-W752 HydrophobicContact CB-CG 4.18Å; M546-W752 HydrophobicContact CB-CD2 4.04Å; M546-W752 HydrophobicContact CB-CE3 4.37Å; M546-W752 HydrophobicContact CB-CG 4.17Å; M546-W752 HydrophobicContact CG-CD2 4.4Å; M546-W752 HydrophobicContact CG-CE3 4.23Å; L749-W752 HydrophobicContact CB-CE3 4.4Å; L749-W752 HydrophobicContact CD2-CE3 4.35Å; L749-W752 WeakPolarHBondContact O-CB 3.33Å; L749-W752 PolarHBondContact O-N 3.35Å; L749-W752 VanDerWaalsContact O-N 3.07Å; R750-W752 PolarHBondContact O-N 2.84Å; W752-L754 PolarHBondContact O-N 3.28Å; W752-S755 PolarHBondContact O-N 3.41Å; W752-L756 HydrophobicContact CZ2-CD1 4.41Å; W752-L756 WeakPolarHBondContact O-CB 3.44Å; W752-L756 PolarHBondContact O-N 2.89Å |
| 753 | A | 93.1 | Very high | 92.2 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 39% | 0.388 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.4 | -48.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L749 R750 L756 A757 | L749-A753 PolarHBondContact O-N 3.27Å; R750-A753 PolarHBondContact O-N 3.4Å; A753-L756 PolarHBondContact O-N 3.26Å; A753-A757 WeakPolarHBondContact O-CB 3.49Å; A753-A757 PolarHBondContact O-N 3.48Å |
| 754 | L | 93.4 | Very high | 92.1 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 14% | 0.141 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -40.8 | 178.8 | -88.7 | 73.6 | 0 | 0 | 0 | 112 | M414 R750 W752 L756 A757 H758 A808 H811 | M414-L754 HydrophobicContact CB-CB 4.21Å; M414-L754 HydrophobicContact CG-CB 4.38Å; M414-L754 HydrophobicContact SD-CD2 3.95Å; R750-L754 PolarHBondContact O-N 3.5Å; W752-L754 PolarHBondContact O-N 3.28Å; L754-L756 VanDerWaalsContact C-N 3.25Å; L754-L756 PolarHBondContact O-N 2.76Å; L754-A757 PolarHBondContact O-N 3.25Å; L754-H758 WeakPolarHBondContact O-CB 3.49Å; L754-H758 PolarHBondContact O-N 3.23Å; L754-A808 HydrophobicContact CD2-CB 4.33Å; L754-H811 HydrophobicContact CD2-CB 4.22Å; L754-H811 VanDerWaalsContact CD2-CD2 3.43Å; L754-H811 WeakPolarHBondContact CD2-CD2 3.42Å |
| 755 | S | 92.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -32.2 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 113.1 | V413 M414 Y472 K545 L751 W752 A759 | V413-S755 VanDerWaalsContact O-CB 3.3Å; V413-S755 WeakPolarHBondContact O-CB 3.26Å; V413-S755 PolarHBondContact O-OG 2.99Å; V413-S755 VanDerWaalsContact O-OG 3.05Å; M414-S755 VanDerWaalsContact O-CA 3.24Å; M414-S755 WeakPolarHBondContact O-CA 3.44Å; Y472-S755 WeakPolarHBondContact CE2-OG 3.44Å; K545-S755 WeakPolarHBondContact CE-OG 3.37Å; K545-S755 PolarHBondContact NZ-O 3.23Å; K545-S755 PolarHBondContact NZ-OG 3.4Å; L751-S755 WeakPolarHBondContact O-CB 3.39Å; L751-S755 PolarHBondContact O-N 3.28Å; W752-S755 PolarHBondContact O-N 3.41Å; S755-A759 WeakPolarHBondContact O-CB 3.47Å; S755-A759 PolarHBondContact O-N 2.98Å |
| 756 | L | 91.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75.5 | -45.8 | 174.8 | -170.4 | 151.7 | 0 | 0 | 0 | 110.9 | L538 N542 W752 A753 L754 H758 A759 Q760 | L538-L756 HydrophobicContact CD1-CD1 4Å; L538-L756 HydrophobicContact CD1-CD2 4.29Å; L538-L756 HydrophobicContact CD1-CG 4.24Å; N542-L756 HydrophobicContact CB-CD1 4.3Å; W752-L756 HydrophobicContact CZ2-CD1 4.41Å; W752-L756 WeakPolarHBondContact O-CB 3.44Å; W752-L756 PolarHBondContact O-N 2.89Å; A753-L756 PolarHBondContact O-N 3.26Å; L754-L756 VanDerWaalsContact C-N 3.25Å; L754-L756 PolarHBondContact O-N 2.76Å; L756-H758 PolarHBondContact O-N 3.32Å; L756-A759 PolarHBondContact O-N 3.46Å; L756-Q760 HydrophobicContact CD2-CG 3.92Å; L756-Q760 WeakPolarHBondContact O-CG 3.23Å; L756-Q760 PolarHBondContact O-N 3.45Å |
| 757 | A | 92.8 | Very high | 92.1 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A753 L754 A759 Q760 L761 | A753-A757 WeakPolarHBondContact O-CB 3.49Å; A753-A757 PolarHBondContact O-N 3.48Å; L754-A757 PolarHBondContact O-N 3.25Å; A757-A759 PolarHBondContact O-N 3.26Å; A757-Q760 PolarHBondContact O-N 2.87Å; A757-L761 WeakPolarHBondContact O-CB 3.31Å; A757-L761 PolarHBondContact O-N 3.07Å |
| 758 | H | 91.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 177.7 | -175.7 | 71.8 | 0 | 0 | 0 | 112.1 | F415 H420 L754 L756 Q760 L761 S762 | F415-H758 AromaticContact CD2-CE1 3.68Å; F415-H758 AromaticContact CD2-ND1 3.83Å; F415-H758 AromaticContact CE2-CE1 3.11Å; F415-H758 WeakPolarHBondContact CE2-CE1 3.43Å; F415-H758 AromaticContact CE2-ND1 3.57Å; F415-H758 AromaticContact CE2-NE2 3.75Å; F415-H758 AromaticContact CZ-CE1 3.65Å; H420-H758 AromaticContact CE1-CE1 3.77Å; H420-H758 AromaticContact CE1-NE2 3.73Å; H420-H758 AromaticContact ND1-CE1 3.33Å; H420-H758 PolarHBondContact ND1-CE1 3.23Å; H420-H758 VanDerWaalsContact ND1-CE1 3.33Å; H420-H758 AromaticContact ND1-NE2 3.09Å; H420-H758 PolarHBondContact ND1-NE2 3.08Å; L754-H758 WeakPolarHBondContact O-CB 3.49Å; L754-H758 PolarHBondContact O-N 3.23Å; L756-H758 PolarHBondContact O-N 3.32Å; H758-Q760 PolarHBondContact O-N 2.8Å; H758-L761 PolarHBondContact O-N 3.46Å; H758-S762 WeakPolarHBondContact O-CB 3.37Å; H758-S762 PolarHBondContact O-N 3.33Å; H758-S762 PolarHBondContact O-OG 2.87Å |
| 759 | A | 90.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S755 L756 A757 S762 E763 | S755-A759 WeakPolarHBondContact O-CB 3.47Å; S755-A759 PolarHBondContact O-N 2.98Å; L756-A759 PolarHBondContact O-N 3.46Å; A757-A759 PolarHBondContact O-N 3.26Å; A759-S762 PolarHBondContact O-OG 3.48Å; A759-E763 PolarHBondContact O-N 2.87Å; A759-E763 VanDerWaalsContact O-N 3.11Å |
| 760 | Q | 91.1 | Very high | 91.3 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.6 | -40.5 | 179 | -69.7 | -59.6 | -69.9 | 0 | 0 | 112.8 | L756 A757 H758 S762 E763 V764 | L756-Q760 HydrophobicContact CD2-CG 3.92Å; L756-Q760 WeakPolarHBondContact O-CG 3.23Å; L756-Q760 PolarHBondContact O-N 3.45Å; A757-Q760 PolarHBondContact O-N 2.87Å; H758-Q760 PolarHBondContact O-N 2.8Å; Q760-S762 VanDerWaalsContact C-N 3.34Å; Q760-S762 PolarHBondContact O-N 3.32Å; Q760-E763 PolarHBondContact NE2-OE2 3Å; Q760-E763 PolarHBondContact O-N 2.88Å; Q760-V764 WeakPolarHBondContact O-CG2 3.27Å; Q760-V764 PolarHBondContact O-N 3.29Å |
| 761 | L | 91.5 | Very high | 90.8 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 34% | 0.335 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 178.2 | -159.7 | 148.8 | 0 | 0 | 0 | 111 | A757 H758 E763 V764 L765 I799 L800 | A757-L761 WeakPolarHBondContact O-CB 3.31Å; A757-L761 PolarHBondContact O-N 3.07Å; H758-L761 PolarHBondContact O-N 3.46Å; L761-E763 VanDerWaalsContact C-N 3.34Å; L761-E763 PolarHBondContact O-N 3.39Å; L761-V764 PolarHBondContact O-N 2.92Å; L761-L765 WeakPolarHBondContact O-CB 3.36Å; L761-L765 PolarHBondContact O-N 3.48Å; L761-I799 HydrophobicContact CD2-CG2 4.24Å; L761-L800 HydrophobicContact CB-CD2 4.2Å; L761-L800 HydrophobicContact CD2-CD1 4.26Å; L761-L800 HydrophobicContact CD2-CD2 3.42Å; L761-L800 VanDerWaalsContact CD2-CD2 3.42Å; L761-L800 HydrophobicContact CD2-CG 3.7Å; L761-L800 HydrophobicContact CG-CD2 4.36Å |
| 762 | S | 90.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.2 | 76.3 | 0 | 0 | 0 | 0 | 112.5 | H758 A759 Q760 L765 W766 | H758-S762 WeakPolarHBondContact O-CB 3.37Å; H758-S762 PolarHBondContact O-N 3.33Å; H758-S762 PolarHBondContact O-OG 2.87Å; A759-S762 PolarHBondContact O-OG 3.48Å; Q760-S762 VanDerWaalsContact C-N 3.34Å; Q760-S762 PolarHBondContact O-N 3.32Å; S762-L765 PolarHBondContact O-N 3.38Å; S762-W766 WeakPolarHBondContact O-CB 3.44Å; S762-W766 PolarHBondContact O-N 3.02Å |
| 763 | E | 90.3 | Very high | 89.5 | Confident | 58 Ų | 58 | 46.2 Ų | 46.2 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 177.6 | 176.4 | 175.2 | -167.7 | 0 | 0 | 112.4 | R537 A759 Q760 L761 L765 W766 A767 | R537-E763 IonicContact CZ-OE2 3.64Å; R537-E763 IonicContact NH1-OE2 3.94Å; R537-E763 IonicContact NH2-OE1 2.84Å; R537-E763 PolarHBondContact NH2-OE1 3.47Å; R537-E763 IonicContact NH2-OE2 2.69Å; R537-E763 PolarHBondContact NH2-OE2 3.27Å; A759-E763 PolarHBondContact O-N 2.87Å; A759-E763 VanDerWaalsContact O-N 3.11Å; Q760-E763 PolarHBondContact NE2-OE2 3Å; Q760-E763 PolarHBondContact O-N 2.88Å; L761-E763 VanDerWaalsContact C-N 3.34Å; L761-E763 PolarHBondContact O-N 3.39Å; E763-L765 VanDerWaalsContact C-N 3.3Å; E763-L765 PolarHBondContact O-N 3.27Å; E763-W766 PolarHBondContact O-N 3.11Å; E763-A767 VanDerWaalsContact O-CB 3.3Å; E763-A767 WeakPolarHBondContact O-CB 3.44Å; E763-A767 PolarHBondContact O-N 2.74Å |
| 764 | V | 91.6 | Very high | 88.9 | Confident | 81 Ų | 81 | 48.6 Ų | 48.6 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | Q760 L761 W766 A767 M768 | Q760-V764 WeakPolarHBondContact O-CG2 3.27Å; Q760-V764 PolarHBondContact O-N 3.29Å; L761-V764 PolarHBondContact O-N 2.92Å; V764-W766 PolarHBondContact O-N 3.49Å; V764-A767 PolarHBondContact O-N 3.27Å; V764-M768 HydrophobicContact CG1-CG 4.1Å; V764-M768 WeakPolarHBondContact O-CB 2.94Å; V764-M768 WeakPolarHBondContact O-CG 3.06Å; V764-M768 PolarHBondContact O-N 2.87Å |
| 765 | L | 91.2 | Very high | 88.2 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.12 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.5 | -170.9 | 70.1 | 0 | 0 | 0 | 111.6 | L761 S762 E763 V769 F792 L795 T796 L800 | L761-L765 WeakPolarHBondContact O-CB 3.36Å; L761-L765 PolarHBondContact O-N 3.48Å; S762-L765 PolarHBondContact O-N 3.38Å; E763-L765 VanDerWaalsContact C-N 3.3Å; E763-L765 PolarHBondContact O-N 3.27Å; L765-V769 HydrophobicContact CD1-CG2 4.1Å; L765-V769 WeakPolarHBondContact O-CB 3.33Å; L765-V769 PolarHBondContact O-N 3.49Å; L765-V769 VanDerWaalsContact O-N 3.07Å; L765-F792 HydrophobicContact CD2-CD2 4.04Å; L765-F792 HydrophobicContact CD2-CE2 3.91Å; L765-F792 HydrophobicContact CG-CD2 3.92Å; L765-F792 HydrophobicContact CG-CE2 3.94Å; L765-L795 HydrophobicContact CD1-CB 4Å; L765-L795 HydrophobicContact CD1-CD1 3.88Å; L765-L795 HydrophobicContact CD2-CB 4.31Å; L765-T796 HydrophobicContact CD2-CG2 3.47Å; L765-T796 VanDerWaalsContact CD2-CG2 3.47Å; L765-L800 HydrophobicContact CD2-CD1 3.47Å; L765-L800 VanDerWaalsContact CD2-CD1 3.47Å |
| 766 | W | 90.9 | Very high | 87.3 | Confident | 58 Ų | 58 | 59 Ų | 59 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -62.1 | -45 | 174.4 | -176.5 | -81.3 | 0 | 0 | 0 | 112 | F476 S477 K478 S762 E763 V764 M770 R771 L774 F792 | F476-W766 HydrophobicContact CB-CE3 4.35Å; F476-W766 HydrophobicContact CB-CZ3 4.37Å; S477-W766 WeakPolarHBondContact OG-CB 3.45Å; K478-W766 HydrophobicContact CG-CZ2 4.45Å; S762-W766 WeakPolarHBondContact O-CB 3.44Å; S762-W766 PolarHBondContact O-N 3.02Å; E763-W766 PolarHBondContact O-N 3.11Å; V764-W766 PolarHBondContact O-N 3.49Å; W766-M770 HydrophobicContact CD2-CB 3.97Å; W766-M770 HydrophobicContact CD2-CG 4.26Å; W766-M770 HydrophobicContact CE3-CB 4.21Å; W766-M770 HydrophobicContact CE3-CG 3.99Å; W766-M770 HydrophobicContact CG-CB 4.35Å; W766-M770 HydrophobicContact CZ2-CB 4.33Å; W766-M770 HydrophobicContact CZ3-CB 4.49Å; W766-M770 HydrophobicContact CZ3-CG 4.14Å; W766-M770 WeakPolarHBondContact O-CB 3.02Å; W766-M770 PolarHBondContact O-N 2.74Å; W766-M770 VanDerWaalsContact O-N 3.09Å; W766-R771 PolarHBondContact O-N 3.32Å; W766-R771 VanDerWaalsContact O-N 3.09Å; W766-L774 HydrophobicContact CZ2-CD1 4.44Å; W766-F792 HydrophobicContact CE3-CE2 4.29Å; W766-F792 AromaticContact CE3-CZ 3.93Å; W766-F792 HydrophobicContact CE3-CZ 3.93Å; W766-F792 HydrophobicContact CZ3-CZ 4.35Å |
| 767 | A | 89.5 | Confident | 86.3 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 24% | 0.24 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -69.3 | -36.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E763 V764 R771 | E763-A767 VanDerWaalsContact O-CB 3.3Å; E763-A767 WeakPolarHBondContact O-CB 3.44Å; E763-A767 PolarHBondContact O-N 2.74Å; V764-A767 PolarHBondContact O-N 3.27Å; A767-R771 WeakPolarHBondContact O-CB 3.43Å |
| 768 | M | 88 | Confident | 85.7 | Confident | 138 Ų | 138 | 67.3 Ų | 67.3 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -82 | -35.8 | -178.5 | -70.6 | -66.5 | -176.3 | 0 | 0 | 113 | V764 V772 | V764-M768 HydrophobicContact CG1-CG 4.1Å; V764-M768 WeakPolarHBondContact O-CB 2.94Å; V764-M768 WeakPolarHBondContact O-CG 3.06Å; V764-M768 PolarHBondContact O-N 2.87Å; M768-V772 WeakPolarHBondContact O-CG2 3.4Å |
| 769 | V | 88.8 | Confident | 84.9 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | I | π-helix | trans | -101.3 | -60.4 | -174.3 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | L765 V772 G773 A788 F792 | L765-V769 HydrophobicContact CD1-CG2 4.1Å; L765-V769 WeakPolarHBondContact O-CB 3.33Å; L765-V769 PolarHBondContact O-N 3.49Å; L765-V769 VanDerWaalsContact O-N 3.07Å; V769-V772 PolarHBondContact O-N 3.45Å; V769-G773 PolarHBondContact O-N 2.99Å; V769-A788 WeakPolarHBondContact CG1-O 3.15Å; V769-F792 HydrophobicContact CB-CD2 4.48Å; V769-F792 HydrophobicContact CG1-CB 3.9Å |
| 770 | M | 85.6 | Confident | 84.1 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | I | π-helix | trans | -70.7 | -36.8 | -172.5 | -71.2 | -58 | -59.3 | 0 | 0 | 112.9 | W766 V772 G773 L774 L785 F789 F792 | W766-M770 HydrophobicContact CD2-CB 3.97Å; W766-M770 HydrophobicContact CD2-CG 4.26Å; W766-M770 HydrophobicContact CE3-CB 4.21Å; W766-M770 HydrophobicContact CE3-CG 3.99Å; W766-M770 HydrophobicContact CG-CB 4.35Å; W766-M770 HydrophobicContact CZ2-CB 4.33Å; W766-M770 HydrophobicContact CZ3-CB 4.49Å; W766-M770 HydrophobicContact CZ3-CG 4.14Å; W766-M770 WeakPolarHBondContact O-CB 3.02Å; W766-M770 PolarHBondContact O-N 2.74Å; W766-M770 VanDerWaalsContact O-N 3.09Å; M770-V772 VanDerWaalsContact C-N 3.33Å; M770-V772 PolarHBondContact O-N 3.47Å; M770-G773 PolarHBondContact O-N 2.97Å; M770-L774 WeakPolarHBondContact O-CB 3.46Å; M770-L774 WeakPolarHBondContact O-CD1 3.36Å; M770-L774 VanDerWaalsContact O-CG 3.27Å; M770-L774 WeakPolarHBondContact O-CG 3.24Å; M770-L774 PolarHBondContact O-N 2.95Å; M770-L785 HydrophobicContact CE-CD1 4.4Å; M770-F789 HydrophobicContact CE-CD2 4.31Å; M770-F789 HydrophobicContact SD-CD2 4.21Å; M770-F792 HydrophobicContact CG-CB 4.33Å; M770-F792 HydrophobicContact CG-CD1 4.15Å; M770-F792 HydrophobicContact CG-CD2 3.71Å; M770-F792 HydrophobicContact CG-CE1 4.42Å; M770-F792 HydrophobicContact CG-CE2 4.01Å; M770-F792 HydrophobicContact CG-CG 3.79Å; M770-F792 HydrophobicContact CG-CZ 4.35Å; M770-F792 HydrophobicContact SD-CB 3.97Å; M770-F792 HydrophobicContact SD-CD1 4.11Å; M770-F792 HydrophobicContact SD-CD2 4.44Å; M770-F792 HydrophobicContact SD-CG 3.92Å |
| 771 | R | 84.8 | Confident | 83.4 | Confident | 133 Ų | 133 | 73.9 Ų | 73.9 | 50% | 0.502 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 178.4 | -167.8 | -175.1 | -64.8 | -155.3 | 1.2 | 112.2 | W766 A767 G773 L774 Q775 | W766-R771 PolarHBondContact O-N 3.32Å; W766-R771 VanDerWaalsContact O-N 3.09Å; A767-R771 WeakPolarHBondContact O-CB 3.43Å; R771-G773 VanDerWaalsContact C-N 3.35Å; R771-L774 PolarHBondContact O-N 2.7Å; R771-Q775 WeakPolarHBondContact O-CG 3.27Å; R771-Q775 PolarHBondContact O-N 3.46Å |
| 772 | V | 82.4 | Confident | 82.8 | Confident | 93 Ų | 93 | 75.9 Ų | 75.9 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | M768 V769 M770 L774 | M768-V772 WeakPolarHBondContact O-CG2 3.4Å; V769-V772 PolarHBondContact O-N 3.45Å; M770-V772 VanDerWaalsContact C-N 3.33Å; M770-V772 PolarHBondContact O-N 3.47Å; V772-L774 VanDerWaalsContact C-N 3.3Å; V772-L774 PolarHBondContact O-N 3.17Å |
| 773 | G | 77.1 | Confident | 82.4 | Confident | 7 Ų | 7 | 80.6 Ų | 80.6 | 7% | 0.072 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.6 | -28.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V769 M770 R771 | V769-G773 PolarHBondContact O-N 2.99Å; M770-G773 PolarHBondContact O-N 2.97Å; R771-G773 VanDerWaalsContact C-N 3.35Å |
| 774 | L | 80.6 | Confident | 81.9 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -90.2 | -9.6 | -176.9 | -71.4 | 166.5 | 0 | 0 | 0 | 114.7 | W766 M770 R771 V772 L785 | W766-L774 HydrophobicContact CZ2-CD1 4.44Å; M770-L774 WeakPolarHBondContact O-CB 3.46Å; M770-L774 WeakPolarHBondContact O-CD1 3.36Å; M770-L774 VanDerWaalsContact O-CG 3.27Å; M770-L774 WeakPolarHBondContact O-CG 3.24Å; M770-L774 PolarHBondContact O-N 2.95Å; R771-L774 PolarHBondContact O-N 2.7Å; V772-L774 VanDerWaalsContact C-N 3.3Å; V772-L774 PolarHBondContact O-N 3.17Å; L774-L785 HydrophobicContact CD2-CD1 4.44Å |
| 775 | Q | 79.6 | Confident | 81.6 | Confident | 139 Ų | 139 | 80.6 Ų | 80.6 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -83.2 | -6.6 | -177.1 | -83.3 | 178.9 | -13.1 | 0 | 0 | 114.5 | R771 | R771-Q775 WeakPolarHBondContact O-CG 3.27Å; R771-Q775 PolarHBondContact O-N 3.46Å |
| 776 | M | 74.9 | Confident | 81.4 | Confident | 110 Ų | 110 | 86.1 Ų | 86.1 | 54% | 0.542 | 47% | 0.467 | S | S | . | . | trans | -104.8 | 106.5 | -176.5 | -67.6 | -169.8 | 138.1 | 0 | 0 | 111.9 | T778 I784 | M776-T778 VanDerWaalsContact C-N 3.29Å; M776-T778 PolarHBondContact O-N 3.3Å; M776-I784 HydrophobicContact SD-CD1 4.11Å | ||
| 777 | D | 70 | Confident | 81.3 | Confident | 167 Ų | 167 | 87 Ų | 87 | 89% | 0.893 | 48% | 0.481 | S | S | * | . | trans | -82.2 | 10.1 | -174.7 | -66.2 | -33.5 | 0 | 0 | 0 | 115.2 | ||||
| 778 | T | 78.6 | Confident | 81.2 | Confident | 91 Ų | 91 | 86.6 Ų | 86.6 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -98.8 | 162.1 | -176.8 | 17.6 | 0 | 0 | 0 | 0 | 112.7 | M776 L780 G781 | M776-T778 VanDerWaalsContact C-N 3.29Å; M776-T778 PolarHBondContact O-N 3.3Å; T778-L780 PolarHBondContact O-N 3.22Å; T778-L780 VanDerWaalsContact O-N 3.09Å; T778-G781 WeakPolarHBondContact O-CA 3.5Å; T778-G781 PolarHBondContact O-N 3.22Å |
| 779 | A | 74.8 | Confident | 81.2 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -56.3 | -25.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G781 V782 | A779-G781 VanDerWaalsContact C-N 3.28Å; A779-G781 PolarHBondContact O-N 2.97Å; A779-V782 PolarHBondContact O-N 3.27Å |
| 780 | L | 74.7 | Confident | 81.3 | Confident | 124 Ų | 124 | 86 Ų | 86 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.3 | -28.8 | 169.1 | -78.5 | 156.9 | 0 | 0 | 0 | 113.1 | T778 V782 V783 I784 | T778-L780 PolarHBondContact O-N 3.22Å; T778-L780 VanDerWaalsContact O-N 3.09Å; L780-V782 VanDerWaalsContact C-N 3.32Å; L780-V782 PolarHBondContact O-N 3.04Å; L780-V783 PolarHBondContact O-N 3.22Å; L780-I784 PolarHBondContact O-N 2.87Å |
| 781 | G | 76 | Confident | 81.6 | Confident | 6 Ų | 6 | 89.8 Ų | 89.8 | 6% | 0.062 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -62 | -35.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T778 A779 V783 I784 L785 | T778-G781 WeakPolarHBondContact O-CA 3.5Å; T778-G781 PolarHBondContact O-N 3.22Å; A779-G781 VanDerWaalsContact C-N 3.28Å; A779-G781 PolarHBondContact O-N 2.97Å; G781-V783 VanDerWaalsContact C-N 3.32Å; G781-V783 PolarHBondContact O-N 3.19Å; G781-I784 PolarHBondContact O-N 3.16Å; G781-L785 WeakPolarHBondContact O-CB 3.42Å; G781-L785 PolarHBondContact O-N 3.28Å |
| 782 | V | 78.3 | Confident | 81.9 | Confident | 107 Ų | 107 | 84.1 Ų | 84.1 | 65% | 0.648 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.7 | -38.2 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | A779 L780 L785 L786 | A779-V782 PolarHBondContact O-N 3.27Å; L780-V782 VanDerWaalsContact C-N 3.32Å; L780-V782 PolarHBondContact O-N 3.04Å; V782-L785 PolarHBondContact O-N 3.4Å; V782-L786 PolarHBondContact O-N 3.23Å |
| 783 | V | 82.1 | Confident | 82.3 | Confident | 105 Ų | 105 | 81.3 Ų | 81.3 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.8 | -34.5 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | L780 G781 P787 | L780-V783 PolarHBondContact O-N 3.22Å; G781-V783 VanDerWaalsContact C-N 3.32Å; G781-V783 PolarHBondContact O-N 3.19Å; V783-P787 WeakPolarHBondContact O-CD 3.38Å |
| 784 | I | 81.4 | Confident | 83.1 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 43% | 0.431 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -81.9 | -30.5 | 177.6 | -64.4 | 169.9 | 0 | 0 | 0 | 111.7 | M776 L780 G781 L786 P787 A788 | M776-I784 HydrophobicContact SD-CD1 4.11Å; L780-I784 PolarHBondContact O-N 2.87Å; G781-I784 PolarHBondContact O-N 3.16Å; I784-L786 VanDerWaalsContact C-N 3.35Å; I784-L786 PolarHBondContact O-N 2.93Å; I784-P787 VanDerWaalsContact O-CD 3.26Å; I784-P787 WeakPolarHBondContact O-CD 3.29Å; I784-P787 VanDerWaalsContact O-CG 3.31Å; I784-P787 WeakPolarHBondContact O-CG 3.5Å; I784-A788 WeakPolarHBondContact O-CB 3.42Å; I784-A788 PolarHBondContact O-N 3.45Å |
| 785 | L | 84.9 | Confident | 83.6 | Confident | 56 Ų | 56 | 82.8 Ų | 82.8 | 29% | 0.293 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -37 | 179.5 | -177.4 | 66.6 | 0 | 0 | 0 | 112.2 | M770 L774 G781 V782 A788 F789 | M770-L785 HydrophobicContact CE-CD1 4.4Å; L774-L785 HydrophobicContact CD2-CD1 4.44Å; G781-L785 WeakPolarHBondContact O-CB 3.42Å; G781-L785 PolarHBondContact O-N 3.28Å; V782-L785 PolarHBondContact O-N 3.4Å; L785-A788 PolarHBondContact O-N 2.8Å; L785-F789 VanDerWaalsContact O-CB 3.31Å; L785-F789 WeakPolarHBondContact O-CB 2.86Å; L785-F789 PolarHBondContact O-N 3.18Å |
| 786 | L | 86.1 | Confident | 84.2 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 72% | 0.723 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.6 | -51.1 | -179 | -168.1 | 137.9 | 0 | 0 | 0 | 113.5 | V782 I784 F789 G790 | V782-L786 PolarHBondContact O-N 3.23Å; I784-L786 VanDerWaalsContact C-N 3.35Å; I784-L786 PolarHBondContact O-N 2.93Å; L786-F789 PolarHBondContact O-N 3.45Å; L786-G790 PolarHBondContact O-N 2.69Å |
| 787 | P | 88.3 | Confident | 85.1 | Confident | 78 Ų | 78 | 74.2 Ų | 74.2 | 51% | 0.506 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.2 | -32.8 | 173.2 | 25.4 | -32.5 | 0 | 0 | 0 | 112.8 | V783 I784 G790 L791 | V783-P787 WeakPolarHBondContact O-CD 3.38Å; I784-P787 VanDerWaalsContact O-CD 3.26Å; I784-P787 WeakPolarHBondContact O-CD 3.29Å; I784-P787 VanDerWaalsContact O-CG 3.31Å; I784-P787 WeakPolarHBondContact O-CG 3.5Å; P787-G790 PolarHBondContact O-N 3.28Å; P787-L791 WeakPolarHBondContact O-CB 3.5Å; P787-L791 PolarHBondContact O-N 2.84Å |
| 788 | A | 87.5 | Confident | 86.1 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V769 I784 L785 L791 F792 | V769-A788 WeakPolarHBondContact CG1-O 3.15Å; I784-A788 WeakPolarHBondContact O-CB 3.42Å; I784-A788 PolarHBondContact O-N 3.45Å; L785-A788 PolarHBondContact O-N 2.8Å; A788-L791 PolarHBondContact O-N 3.47Å; A788-F792 WeakPolarHBondContact O-CB 3.04Å; A788-F792 PolarHBondContact O-N 3.37Å |
| 789 | F | 89.7 | Confident | 86.7 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 173 | -179.1 | -98.1 | 0 | 0 | 0 | 111.7 | M770 L785 L786 L791 F792 A793 | M770-F789 HydrophobicContact CE-CD2 4.31Å; M770-F789 HydrophobicContact SD-CD2 4.21Å; L785-F789 VanDerWaalsContact O-CB 3.31Å; L785-F789 WeakPolarHBondContact O-CB 2.86Å; L785-F789 PolarHBondContact O-N 3.18Å; L786-F789 PolarHBondContact O-N 3.45Å; F789-L791 PolarHBondContact O-N 3.2Å; F789-F792 WeakPolarHBondContact O-CB 3.34Å; F789-F792 PolarHBondContact O-N 3.38Å; F789-A793 WeakPolarHBondContact O-CB 3.36Å; F789-A793 PolarHBondContact O-N 3.28Å |
| 790 | G | 90.8 | Very high | 87.5 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L786 P787 A793 V794 | L786-G790 PolarHBondContact O-N 2.69Å; P787-G790 PolarHBondContact O-N 3.28Å; G790-A793 PolarHBondContact O-N 3.09Å; G790-V794 WeakPolarHBondContact O-CG2 3.22Å; G790-V794 PolarHBondContact O-N 3.49Å |
| 791 | L | 90.7 | Very high | 88.3 | Confident | 94 Ų | 94 | 58.6 Ų | 58.6 | 49% | 0.492 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 174.9 | -178.2 | 64.2 | 0 | 0 | 0 | 111.6 | P787 A788 F789 A793 V794 L795 | P787-L791 WeakPolarHBondContact O-CB 3.5Å; P787-L791 PolarHBondContact O-N 2.84Å; A788-L791 PolarHBondContact O-N 3.47Å; F789-L791 PolarHBondContact O-N 3.2Å; L791-A793 VanDerWaalsContact C-N 3.34Å; L791-A793 PolarHBondContact O-N 3.09Å; L791-V794 PolarHBondContact O-N 3.07Å; L791-L795 HydrophobicContact CD1-CD1 3.99Å; L791-L795 HydrophobicContact CD1-CG 4.15Å; L791-L795 HydrophobicContact CG-CD1 3.9Å; L791-L795 HydrophobicContact CG-CG 4.42Å; L791-L795 WeakPolarHBondContact O-CB 3.27Å; L791-L795 VanDerWaalsContact O-CG 3.29Å; L791-L795 WeakPolarHBondContact O-CG 3.23Å; L791-L795 PolarHBondContact O-N 2.9Å |
| 792 | F | 91.3 | Very high | 89 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 7% | 0.066 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 174.8 | 177.3 | -100.8 | 0 | 0 | 0 | 111.7 | F476 L765 W766 V769 M770 A788 F789 L795 T796 | F476-F792 HydrophobicContact CD1-CZ 4.46Å; L765-F792 HydrophobicContact CD2-CD2 4.04Å; L765-F792 HydrophobicContact CD2-CE2 3.91Å; L765-F792 HydrophobicContact CG-CD2 3.92Å; L765-F792 HydrophobicContact CG-CE2 3.94Å; W766-F792 HydrophobicContact CE3-CE2 4.29Å; W766-F792 AromaticContact CE3-CZ 3.93Å; W766-F792 HydrophobicContact CE3-CZ 3.93Å; W766-F792 HydrophobicContact CZ3-CZ 4.35Å; V769-F792 HydrophobicContact CB-CD2 4.48Å; V769-F792 HydrophobicContact CG1-CB 3.9Å; M770-F792 HydrophobicContact CG-CB 4.33Å; M770-F792 HydrophobicContact CG-CD1 4.15Å; M770-F792 HydrophobicContact CG-CD2 3.71Å; M770-F792 HydrophobicContact CG-CE1 4.42Å; M770-F792 HydrophobicContact CG-CE2 4.01Å; M770-F792 HydrophobicContact CG-CG 3.79Å; M770-F792 HydrophobicContact CG-CZ 4.35Å; M770-F792 HydrophobicContact SD-CB 3.97Å; M770-F792 HydrophobicContact SD-CD1 4.11Å; M770-F792 HydrophobicContact SD-CD2 4.44Å; M770-F792 HydrophobicContact SD-CG 3.92Å; A788-F792 WeakPolarHBondContact O-CB 3.04Å; A788-F792 PolarHBondContact O-N 3.37Å; F789-F792 WeakPolarHBondContact O-CB 3.34Å; F789-F792 PolarHBondContact O-N 3.38Å; F792-L795 PolarHBondContact O-N 2.84Å; F792-T796 HydrophobicContact CD1-CG2 4.16Å; F792-T796 HydrophobicContact CD2-CG2 4.15Å; F792-T796 HydrophobicContact CE1-CG2 3.77Å; F792-T796 HydrophobicContact CE2-CG2 3.76Å; F792-T796 HydrophobicContact CG-CG2 4.34Å; F792-T796 HydrophobicContact CZ-CG2 3.55Å; F792-T796 WeakPolarHBondContact O-CB 3.34Å; F792-T796 VanDerWaalsContact O-CG2 3.24Å; F792-T796 WeakPolarHBondContact O-CG2 3.25Å; F792-T796 PolarHBondContact O-N 3.3Å; F792-T796 PolarHBondContact O-OG1 3.18Å |
| 793 | A | 91.2 | Very high | 89.6 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F789 G790 L791 T796 V797 | F789-A793 WeakPolarHBondContact O-CB 3.36Å; F789-A793 PolarHBondContact O-N 3.28Å; G790-A793 PolarHBondContact O-N 3.09Å; L791-A793 VanDerWaalsContact C-N 3.34Å; L791-A793 PolarHBondContact O-N 3.09Å; A793-T796 VanDerWaalsContact CA-OG1 3.3Å; A793-T796 WeakPolarHBondContact CA-OG1 3.46Å; A793-T796 PolarHBondContact O-OG1 3.37Å; A793-V797 WeakPolarHBondContact O-CB 3.37Å; A793-V797 VanDerWaalsContact O-CG2 3.29Å; A793-V797 WeakPolarHBondContact O-CG2 3.49Å; A793-V797 PolarHBondContact O-N 3.36Å |
| 794 | V | 93.3 | Very high | 90.1 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 178.2 | 172 | 0 | 0 | 0 | 0 | 111.5 | G790 L791 S798 | G790-V794 WeakPolarHBondContact O-CG2 3.22Å; G790-V794 PolarHBondContact O-N 3.49Å; L791-V794 PolarHBondContact O-N 3.07Å; V794-S798 VanDerWaalsContact O-CB 3.3Å; V794-S798 WeakPolarHBondContact O-CB 3.39Å; V794-S798 PolarHBondContact O-N 3.39Å; V794-S798 PolarHBondContact O-OG 3.36Å |
| 795 | L | 92.3 | Very high | 90.6 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 179.6 | -68.5 | 175.3 | 0 | 0 | 0 | 112.1 | L765 L791 F792 I799 | L765-L795 HydrophobicContact CD1-CB 4Å; L765-L795 HydrophobicContact CD1-CD1 3.88Å; L765-L795 HydrophobicContact CD2-CB 4.31Å; L791-L795 HydrophobicContact CD1-CD1 3.99Å; L791-L795 HydrophobicContact CD1-CG 4.15Å; L791-L795 HydrophobicContact CG-CD1 3.9Å; L791-L795 HydrophobicContact CG-CG 4.42Å; L791-L795 WeakPolarHBondContact O-CB 3.27Å; L791-L795 VanDerWaalsContact O-CG 3.29Å; L791-L795 WeakPolarHBondContact O-CG 3.23Å; L791-L795 PolarHBondContact O-N 2.9Å; F792-L795 PolarHBondContact O-N 2.84Å; L795-I799 HydrophobicContact CD2-CD1 3.89Å; L795-I799 WeakPolarHBondContact O-CB 3.22Å; L795-I799 PolarHBondContact O-N 3.35Å |
| 796 | T | 92.1 | Very high | 91 | Very high | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -63 | -47.4 | 174.4 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | L765 F792 A793 L800 L801 | L765-T796 HydrophobicContact CD2-CG2 3.47Å; L765-T796 VanDerWaalsContact CD2-CG2 3.47Å; F792-T796 HydrophobicContact CD1-CG2 4.16Å; F792-T796 HydrophobicContact CD2-CG2 4.15Å; F792-T796 HydrophobicContact CE1-CG2 3.77Å; F792-T796 HydrophobicContact CE2-CG2 3.76Å; F792-T796 HydrophobicContact CG-CG2 4.34Å; F792-T796 HydrophobicContact CZ-CG2 3.55Å; F792-T796 WeakPolarHBondContact O-CB 3.34Å; F792-T796 VanDerWaalsContact O-CG2 3.24Å; F792-T796 WeakPolarHBondContact O-CG2 3.25Å; F792-T796 PolarHBondContact O-N 3.3Å; F792-T796 PolarHBondContact O-OG1 3.18Å; A793-T796 VanDerWaalsContact CA-OG1 3.3Å; A793-T796 WeakPolarHBondContact CA-OG1 3.46Å; A793-T796 PolarHBondContact O-OG1 3.37Å; T796-L800 HydrophobicContact CG2-CD1 3.97Å; T796-L800 WeakPolarHBondContact O-CA 3.23Å; T796-L800 VanDerWaalsContact O-CB 3.31Å; T796-L800 WeakPolarHBondContact O-CB 3.41Å; T796-L800 PolarHBondContact O-N 3.36Å; T796-L801 PolarHBondContact O-N 3.31Å |
| 797 | V | 92.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -63.8 | -46.6 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | A793 L801 I802 | A793-V797 WeakPolarHBondContact O-CB 3.37Å; A793-V797 VanDerWaalsContact O-CG2 3.29Å; A793-V797 WeakPolarHBondContact O-CG2 3.49Å; A793-V797 PolarHBondContact O-N 3.36Å; V797-L801 VanDerWaalsContact O-CB 3.25Å; V797-L801 WeakPolarHBondContact O-CB 3.34Å; V797-I802 HydrophobicContact CG1-CD1 4.39Å; V797-I802 WeakPolarHBondContact O-CG1 3.31Å; V797-I802 PolarHBondContact O-N 2.91Å |
| 798 | S | 92 | Very high | 91.6 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -76.3 | -48.8 | -172 | -50.4 | 0 | 0 | 0 | 0 | 112.9 | V794 M803 | V794-S798 VanDerWaalsContact O-CB 3.3Å; V794-S798 WeakPolarHBondContact O-CB 3.39Å; V794-S798 PolarHBondContact O-N 3.39Å; V794-S798 PolarHBondContact O-OG 3.36Å; S798-M803 WeakPolarHBondContact O-CG 3.31Å; S798-M803 PolarHBondContact O-N 2.99Å |
| 799 | I | 91.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 52.3 Ų | 52.3 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | -88.7 | -55.7 | -173.3 | -57.6 | 175.8 | 0 | 0 | 0 | 110.2 | L761 L795 M803 E804 | L761-I799 HydrophobicContact CD2-CG2 4.24Å; L795-I799 HydrophobicContact CD2-CD1 3.89Å; L795-I799 WeakPolarHBondContact O-CB 3.22Å; L795-I799 PolarHBondContact O-N 3.35Å; I799-M803 WeakPolarHBondContact O-CB 3.43Å; I799-M803 PolarHBondContact O-N 2.93Å; I799-E804 PolarHBondContact O-N 2.86Å |
| 800 | L | 90.6 | Very high | 92 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -74.4 | -39.7 | -173.6 | -75.3 | 160.2 | 0 | 0 | 0 | 112.4 | F415 L761 L765 T796 E804 | F415-L800 WeakPolarHBondContact CE2-O 3.37Å; L761-L800 HydrophobicContact CB-CD2 4.2Å; L761-L800 HydrophobicContact CD2-CD1 4.26Å; L761-L800 HydrophobicContact CD2-CD2 3.42Å; L761-L800 VanDerWaalsContact CD2-CD2 3.42Å; L761-L800 HydrophobicContact CD2-CG 3.7Å; L761-L800 HydrophobicContact CG-CD2 4.36Å; L765-L800 HydrophobicContact CD2-CD1 3.47Å; L765-L800 VanDerWaalsContact CD2-CD1 3.47Å; T796-L800 HydrophobicContact CG2-CD1 3.97Å; T796-L800 WeakPolarHBondContact O-CA 3.23Å; T796-L800 VanDerWaalsContact O-CB 3.31Å; T796-L800 WeakPolarHBondContact O-CB 3.41Å; T796-L800 PolarHBondContact O-N 3.36Å; L800-E804 WeakPolarHBondContact O-CB 3.43Å |
| 801 | L | 91.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -87.3 | -50.8 | -176.7 | -106.1 | 159.7 | 0 | 0 | 0 | 113.1 | F415 H420 I423 M424 T796 V797 G805 | F415-L801 HydrophobicContact CE1-CD2 4.38Å; F415-L801 HydrophobicContact CZ-CD2 4.23Å; F415-L801 HydrophobicContact CZ-CG 4.4Å; H420-L801 HydrophobicContact CB-CG 4.31Å; I423-L801 HydrophobicContact CB-CD1 3.91Å; I423-L801 HydrophobicContact CD1-CD1 4.18Å; I423-L801 HydrophobicContact CG2-CD1 3.57Å; M424-L801 HydrophobicContact CB-CD2 4.03Å; M424-L801 HydrophobicContact CE-CD2 3.61Å; T796-L801 PolarHBondContact O-N 3.31Å; V797-L801 VanDerWaalsContact O-CB 3.25Å; V797-L801 WeakPolarHBondContact O-CB 3.34Å; L801-G805 VanDerWaalsContact O-CA 3.27Å; L801-G805 WeakPolarHBondContact O-CA 3.35Å; L801-G805 PolarHBondContact O-N 3.5Å |
| 802 | I | 91.3 | Very high | 92.4 | Very high | 102 Ų | 102 | 48.5 Ų | 48.5 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -79.9 | -58.3 | -175.5 | -64.5 | 169.9 | 0 | 0 | 0 | 111.2 | V797 L806 | V797-I802 HydrophobicContact CG1-CD1 4.39Å; V797-I802 WeakPolarHBondContact O-CG1 3.31Å; V797-I802 PolarHBondContact O-N 2.91Å; I802-L806 WeakPolarHBondContact O-CB 3.47Å; I802-L806 PolarHBondContact O-N 3.22Å |
| 803 | M | 91.6 | Very high | 92.5 | Very high | 131 Ų | 131 | 48.7 Ų | 48.7 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | I | π-helix | trans | -69.8 | -52.9 | -173.3 | -65.8 | -120.7 | -67.5 | 0 | 0 | 112.6 | S798 I799 L806 S807 | S798-M803 WeakPolarHBondContact O-CG 3.31Å; S798-M803 PolarHBondContact O-N 2.99Å; I799-M803 WeakPolarHBondContact O-CB 3.43Å; I799-M803 PolarHBondContact O-N 2.93Å; M803-L806 PolarHBondContact O-N 3.43Å; M803-S807 PolarHBondContact O-N 3.19Å |
| 804 | E | 92.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.6 | -35.8 | 177.6 | -76 | -69.3 | 167.5 | 0 | 0 | 112.1 | I799 L800 S807 A808 | I799-E804 PolarHBondContact O-N 2.86Å; L800-E804 WeakPolarHBondContact O-CB 3.43Å; E804-S807 PolarHBondContact O-N 3.1Å; E804-S807 PolarHBondContact O-OG 2.83Å; E804-S807 VanDerWaalsContact O-OG 3.07Å; E804-S807 PolarHBondContact OE2-OG 3.08Å; E804-A808 WeakPolarHBondContact O-CB 2.97Å; E804-A808 PolarHBondContact O-N 3.09Å |
| 805 | G | 91.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F411 L801 A808 F809 | F411-G805 WeakPolarHBondContact CE2-O 3.43Å; L801-G805 VanDerWaalsContact O-CA 3.27Å; L801-G805 WeakPolarHBondContact O-CA 3.35Å; L801-G805 PolarHBondContact O-N 3.5Å; G805-A808 PolarHBondContact O-N 3.42Å; G805-F809 VanDerWaalsContact O-CB 3.31Å; G805-F809 WeakPolarHBondContact O-CB 3.26Å; G805-F809 PolarHBondContact O-N 3.42Å |
| 806 | L | 92.3 | Very high | 92.6 | Very high | 92 Ų | 92 | 46.8 Ų | 46.8 | 48% | 0.482 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 175.3 | -171.3 | 70.6 | 0 | 0 | 0 | 111.9 | I802 M803 F809 L810 | I802-L806 WeakPolarHBondContact O-CB 3.47Å; I802-L806 PolarHBondContact O-N 3.22Å; M803-L806 PolarHBondContact O-N 3.43Å; L806-F809 WeakPolarHBondContact O-CB 3.31Å; L806-F809 PolarHBondContact O-N 3.06Å; L806-L810 WeakPolarHBondContact O-CG 3.23Å; L806-L810 PolarHBondContact O-N 3.3Å |
| 807 | S | 92.7 | Very high | 92.6 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.3 | -49.7 | 175.8 | 99.2 | 0 | 0 | 0 | 0 | 110.8 | M803 E804 F809 L810 H811 | M803-S807 PolarHBondContact O-N 3.19Å; E804-S807 PolarHBondContact O-N 3.1Å; E804-S807 PolarHBondContact O-OG 2.83Å; E804-S807 VanDerWaalsContact O-OG 3.07Å; E804-S807 PolarHBondContact OE2-OG 3.08Å; S807-F809 VanDerWaalsContact C-N 3.31Å; S807-F809 PolarHBondContact O-N 3.39Å; S807-L810 PolarHBondContact O-N 3.43Å; S807-H811 PolarHBondContact O-CD2 3.32Å; S807-H811 PolarHBondContact O-N 2.81Å |
| 808 | A | 94.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F411 M414 F415 L754 E804 G805 H811 A812 | F411-A808 HydrophobicContact CD2-CB 3.96Å; F411-A808 HydrophobicContact CE2-CB 3.71Å; M414-A808 HydrophobicContact CB-CB 3.99Å; M414-A808 HydrophobicContact SD-CB 4.35Å; F415-A808 HydrophobicContact CB-CB 4.45Å; L754-A808 HydrophobicContact CD2-CB 4.33Å; E804-A808 WeakPolarHBondContact O-CB 2.97Å; E804-A808 PolarHBondContact O-N 3.09Å; G805-A808 PolarHBondContact O-N 3.42Å; A808-H811 PolarHBondContact O-N 3.29Å; A808-A812 WeakPolarHBondContact O-CB 3.43Å; A808-A812 PolarHBondContact O-N 3.18Å |
| 809 | F | 93.9 | Very high | 92.4 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -50.4 | 173.9 | 174.9 | -88.9 | 0 | 0 | 0 | 111.7 | I385 F407 F411 I457 M461 G805 L806 S807 H811 A812 L813 | I385-F809 HydrophobicContact CD1-CZ 4.1Å; F407-F809 AromaticContact CE1-CD2 3.84Å; F407-F809 HydrophobicContact CE1-CD2 3.84Å; F407-F809 AromaticContact CE1-CE2 3.56Å; F407-F809 HydrophobicContact CE1-CE2 3.56Å; F407-F809 HydrophobicContact CE1-CZ 4.45Å; F407-F809 AromaticContact CZ-CD2 3.43Å; F407-F809 HydrophobicContact CZ-CD2 3.43Å; F407-F809 VanDerWaalsContact CZ-CD2 3.43Å; F407-F809 AromaticContact CZ-CE2 3.3Å; F407-F809 HydrophobicContact CZ-CE2 3.3Å; F407-F809 HydrophobicContact CZ-CG 4.16Å; F407-F809 AromaticContact CZ-CZ 3.93Å; F407-F809 HydrophobicContact CZ-CZ 3.93Å; F411-F809 HydrophobicContact CD2-CB 4.33Å; F411-F809 HydrophobicContact CE2-CB 4.27Å; I457-F809 HydrophobicContact CG2-CE2 4.36Å; M461-F809 HydrophobicContact CE-CD2 3.88Å; M461-F809 HydrophobicContact CE-CE2 4.3Å; M461-F809 HydrophobicContact SD-CD2 3.71Å; M461-F809 HydrophobicContact SD-CE2 4.32Å; G805-F809 VanDerWaalsContact O-CB 3.31Å; G805-F809 WeakPolarHBondContact O-CB 3.26Å; G805-F809 PolarHBondContact O-N 3.42Å; L806-F809 WeakPolarHBondContact O-CB 3.31Å; L806-F809 PolarHBondContact O-N 3.06Å; S807-F809 VanDerWaalsContact C-N 3.31Å; S807-F809 PolarHBondContact O-N 3.39Å; F809-H811 PolarHBondContact O-N 3.31Å; F809-A812 PolarHBondContact O-N 3.46Å; F809-L813 HydrophobicContact CE1-CD1 4.09Å; F809-L813 HydrophobicContact CZ-CD1 4.39Å; F809-L813 WeakPolarHBondContact O-CB 3.24Å; F809-L813 PolarHBondContact O-N 3.45Å |
| 810 | L | 93.1 | Very high | 92.3 | Very high | 95 Ų | 95 | 42.2 Ų | 42.2 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 179.8 | -72.1 | 175.4 | 0 | 0 | 0 | 112.3 | L806 S807 L813 R814 | L806-L810 WeakPolarHBondContact O-CG 3.23Å; L806-L810 PolarHBondContact O-N 3.3Å; S807-L810 PolarHBondContact O-N 3.43Å; L810-L813 PolarHBondContact O-N 3Å; L810-R814 WeakPolarHBondContact O-CB 3.3Å; L810-R814 PolarHBondContact O-N 3.39Å |
| 811 | H | 94.5 | Very high | 92.2 | Very high | 66 Ų | 66 | 42.2 Ų | 42.2 | 31% | 0.306 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.1 | -39.9 | 175.4 | -77.3 | -61.9 | 0 | 0 | 0 | 112.6 | M414 L754 S807 A808 F809 L813 R814 L815 | M414-H811 HydrophobicContact CE-CB 3.89Å; M414-H811 HydrophobicContact SD-CB 3.82Å; L754-H811 HydrophobicContact CD2-CB 4.22Å; L754-H811 VanDerWaalsContact CD2-CD2 3.43Å; L754-H811 WeakPolarHBondContact CD2-CD2 3.42Å; S807-H811 PolarHBondContact O-CD2 3.32Å; S807-H811 PolarHBondContact O-N 2.81Å; A808-H811 PolarHBondContact O-N 3.29Å; F809-H811 PolarHBondContact O-N 3.31Å; H811-L813 VanDerWaalsContact C-N 3.29Å; H811-L813 PolarHBondContact O-N 3.12Å; H811-R814 PolarHBondContact O-N 3.12Å; H811-L815 WeakPolarHBondContact O-CG 3.46Å; H811-L815 PolarHBondContact O-N 3.33Å; H811-L815 VanDerWaalsContact O-N 3.12Å |
| 812 | A | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F407 F411 A808 F809 L815 H816 | F407-A812 HydrophobicContact CD2-CB 4.25Å; F407-A812 HydrophobicContact CE2-CB 3.88Å; F407-A812 HydrophobicContact CZ-CB 4.49Å; F411-A812 HydrophobicContact CB-CB 4.18Å; A808-A812 WeakPolarHBondContact O-CB 3.43Å; A808-A812 PolarHBondContact O-N 3.18Å; F809-A812 PolarHBondContact O-N 3.46Å; A812-L815 PolarHBondContact O-N 3Å; A812-H816 PolarHBondContact O-N 3.46Å; A812-H816 PolarHBondContact O-ND1 3.28Å |
| 813 | L | 93.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 178.9 | 178.4 | 152.6 | 0 | 0 | 0 | 110.8 | I385 F407 F809 L810 H811 L815 H816 W817 | I385-L813 HydrophobicContact CG2-CD1 3.81Å; I385-L813 HydrophobicContact CG2-CG 4.37Å; F407-L813 HydrophobicContact CE2-CB 3.76Å; F407-L813 HydrophobicContact CZ-CB 4.49Å; F809-L813 HydrophobicContact CE1-CD1 4.09Å; F809-L813 HydrophobicContact CZ-CD1 4.39Å; F809-L813 WeakPolarHBondContact O-CB 3.24Å; F809-L813 PolarHBondContact O-N 3.45Å; L810-L813 PolarHBondContact O-N 3Å; H811-L813 VanDerWaalsContact C-N 3.29Å; H811-L813 PolarHBondContact O-N 3.12Å; L813-L815 VanDerWaalsContact C-N 3.33Å; L813-L815 PolarHBondContact O-N 3.37Å; L813-H816 PolarHBondContact O-N 3.32Å; L813-W817 HydrophobicContact CD1-CH2 4.26Å; L813-W817 HydrophobicContact CD1-CZ2 3.89Å; L813-W817 HydrophobicContact CD2-CD2 3.36Å; L813-W817 VanDerWaalsContact CD2-CE2 3.46Å; L813-W817 HydrophobicContact CD2-CE3 3.31Å; L813-W817 HydrophobicContact CD2-CG 4.18Å; L813-W817 HydrophobicContact CD2-CH2 3.54Å; L813-W817 HydrophobicContact CD2-CZ2 3.56Å; L813-W817 HydrophobicContact CD2-CZ3 3.4Å; L813-W817 VanDerWaalsContact CD2-CZ3 3.4Å; L813-W817 HydrophobicContact CG-CD2 4.11Å; L813-W817 HydrophobicContact CG-CE3 4.48Å; L813-W817 HydrophobicContact CG-CH2 4.34Å; L813-W817 HydrophobicContact CG-CZ2 3.94Å; L813-W817 PolarHBondContact O-N 3.43Å |
| 814 | R | 94 | Very high | 91.2 | Very high | 126 Ų | 126 | 35.1 Ų | 35.1 | 48% | 0.475 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -55.8 | -47.5 | 174.1 | -178.5 | 62.7 | 175.8 | -173.6 | 0 | 111.7 | L810 H811 H816 W817 V818 | L810-R814 WeakPolarHBondContact O-CB 3.3Å; L810-R814 PolarHBondContact O-N 3.39Å; H811-R814 PolarHBondContact O-N 3.12Å; R814-H816 PolarHBondContact O-N 3.21Å; R814-H816 VanDerWaalsContact O-N 3.15Å; R814-W817 PolarHBondContact O-N 3.44Å; R814-V818 VanDerWaalsContact NH1-CG2 3.34Å; R814-V818 PolarHBondContact O-N 3.09Å |
| 815 | L | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -58.1 | -24.1 | 177.3 | -69.9 | 175.7 | 0 | 0 | 0 | 113.5 | L410 M414 Y748 L751 H811 A812 L813 E819 F820 | L410-L815 HydrophobicContact CD1-CB 4.34Å; L410-L815 HydrophobicContact CD1-CD1 4.33Å; M414-L815 HydrophobicContact CE-CD1 3.53Å; Y748-L815 HydrophobicContact CD1-CD1 4.01Å; Y748-L815 HydrophobicContact CD1-CD2 3.82Å; Y748-L815 HydrophobicContact CD1-CG 4.47Å; Y748-L815 HydrophobicContact CE1-CB 4.26Å; Y748-L815 HydrophobicContact CE1-CD1 4.01Å; Y748-L815 HydrophobicContact CE1-CD2 3.76Å; Y748-L815 HydrophobicContact CE1-CG 4.22Å; Y748-L815 HydrophobicContact CG-CD2 4.28Å; L751-L815 HydrophobicContact CD2-CD1 3.96Å; L751-L815 HydrophobicContact CG-CD1 4.05Å; H811-L815 WeakPolarHBondContact O-CG 3.46Å; H811-L815 PolarHBondContact O-N 3.33Å; H811-L815 VanDerWaalsContact O-N 3.12Å; A812-L815 PolarHBondContact O-N 3Å; L813-L815 VanDerWaalsContact C-N 3.33Å; L813-L815 PolarHBondContact O-N 3.37Å; L815-E819 WeakPolarHBondContact CA-OE2 3.46Å; L815-E819 HydrophobicContact CD2-CG 4.25Å; L815-E819 WeakPolarHBondContact O-CB 3.35Å; L815-F820 PolarHBondContact O-N 3.32Å |
| 816 | H | 92.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.023 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -87 | -44.4 | 175.2 | -72.4 | 78.6 | 0 | 0 | 0 | 112 | T406 F407 H556 A812 L813 R814 F820 Q821 | T406-H816 PolarHBondContact OG1-NE2 3.31Å; F407-H816 WeakPolarHBondContact CA-CE1 3.47Å; F407-H816 AromaticContact CD2-ND1 3.79Å; F407-H816 PolarHBondContact N-NE2 2.85Å; H556-H816 AromaticContact NE2-NE2 3.87Å; A812-H816 PolarHBondContact O-N 3.46Å; A812-H816 PolarHBondContact O-ND1 3.28Å; L813-H816 PolarHBondContact O-N 3.32Å; R814-H816 PolarHBondContact O-N 3.21Å; R814-H816 VanDerWaalsContact O-N 3.15Å; H816-F820 WeakPolarHBondContact O-CB 3.34Å; H816-F820 PolarHBondContact O-N 2.68Å; H816-Q821 WeakPolarHBondContact O-CB 3.41Å; H816-Q821 VanDerWaalsContact O-CG 3.31Å; H816-Q821 WeakPolarHBondContact O-CG 3.16Å; H816-Q821 PolarHBondContact O-N 3.3Å |
| 817 | W | 91.7 | Very high | 89.7 | Confident | 59 Ų | 59 | 33.2 Ų | 33.2 | 22% | 0.223 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -68.6 | -44.8 | -177.7 | -69.7 | -9.5 | 0 | 0 | 0 | 113 | I385 A388 Y389 L813 R814 Q821 | I385-W817 HydrophobicContact CG2-CZ2 4.48Å; I385-W817 WeakPolarHBondContact O-CZ2 3.35Å; I385-W817 PolarHBondContact O-NE1 2.74Å; A388-W817 HydrophobicContact CB-CZ2 4.2Å; Y389-W817 HydrophobicContact CD2-CB 3.7Å; Y389-W817 AromaticContact CD2-CD2 3.86Å; Y389-W817 HydrophobicContact CD2-CD2 3.86Å; Y389-W817 HydrophobicContact CD2-CE3 4.06Å; Y389-W817 AromaticContact CD2-CG 3.74Å; Y389-W817 HydrophobicContact CD2-CG 3.74Å; Y389-W817 HydrophobicContact CE2-CB 3.94Å; Y389-W817 HydrophobicContact CE2-CG 4.47Å; Y389-W817 HydrophobicContact CG-CB 4.13Å; Y389-W817 HydrophobicContact CG-CD2 4.2Å; Y389-W817 AromaticContact CG-CG 3.91Å; Y389-W817 HydrophobicContact CG-CG 3.91Å; L813-W817 HydrophobicContact CD1-CH2 4.26Å; L813-W817 HydrophobicContact CD1-CZ2 3.89Å; L813-W817 HydrophobicContact CD2-CD2 3.36Å; L813-W817 VanDerWaalsContact CD2-CE2 3.46Å; L813-W817 HydrophobicContact CD2-CE3 3.31Å; L813-W817 HydrophobicContact CD2-CG 4.18Å; L813-W817 HydrophobicContact CD2-CH2 3.54Å; L813-W817 HydrophobicContact CD2-CZ2 3.56Å; L813-W817 HydrophobicContact CD2-CZ3 3.4Å; L813-W817 VanDerWaalsContact CD2-CZ3 3.4Å; L813-W817 HydrophobicContact CG-CD2 4.11Å; L813-W817 HydrophobicContact CG-CE3 4.48Å; L813-W817 HydrophobicContact CG-CH2 4.34Å; L813-W817 HydrophobicContact CG-CZ2 3.94Å; L813-W817 PolarHBondContact O-N 3.43Å; R814-W817 PolarHBondContact O-N 3.44Å; W817-Q821 VanDerWaalsContact CD1-OE1 3.31Å |
| 818 | V | 90.1 | Very high | 89.3 | Confident | 30 Ų | 30 | 37 Ų | 37 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -96.4 | -43 | -173.6 | 175.2 | 0 | 0 | 0 | 0 | 112.7 | R814 N822 | R814-V818 VanDerWaalsContact NH1-CG2 3.34Å; R814-V818 PolarHBondContact O-N 3.09Å; V818-N822 WeakPolarHBondContact O-CB 3.43Å |
| 819 | E | 90.3 | Very high | 88.9 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -87.9 | -31.2 | -173.1 | -65.4 | 84 | 160.8 | 0 | 0 | 112.8 | N744 S747 Y748 R750 L815 | N744-E819 HydrophobicContact CB-CB 4.36Å; N744-E819 HydrophobicContact CB-CG 3.76Å; S747-E819 VanDerWaalsContact CB-OE1 3.31Å; S747-E819 WeakPolarHBondContact CB-OE1 3.27Å; S747-E819 PolarHBondContact OG-OE1 3.48Å; Y748-E819 HydrophobicContact CE2-CB 3.91Å; Y748-E819 HydrophobicContact CE2-CG 4.16Å; Y748-E819 WeakPolarHBondContact OH-CB 3.33Å; R750-E819 IonicContact NH1-OE1 3.95Å; L815-E819 WeakPolarHBondContact CA-OE2 3.46Å; L815-E819 HydrophobicContact CD2-CG 4.25Å; L815-E819 WeakPolarHBondContact O-CB 3.35Å |
| 820 | F | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -97 | -53.9 | -179.2 | -176.9 | -111.1 | 0 | 0 | 0 | 113.6 | F402 H556 F559 L563 L815 H816 K823 F824 | F402-F820 HydrophobicContact CB-CE1 4.46Å; F402-F820 HydrophobicContact CB-CZ 4.29Å; H556-F820 AromaticContact CD2-CD2 3.81Å; H556-F820 AromaticContact CE1-CD2 3.73Å; H556-F820 AromaticContact CE1-CG 3.73Å; H556-F820 AromaticContact NE2-CD2 3.42Å; H556-F820 WeakPolarHBondContact NE2-CD2 3.46Å; H556-F820 AromaticContact NE2-CE2 3.91Å; H556-F820 AromaticContact NE2-CG 3.66Å; F559-F820 AromaticContact CD1-CE2 3.67Å; F559-F820 HydrophobicContact CD1-CE2 3.67Å; F559-F820 AromaticContact CD1-CZ 4Å; F559-F820 HydrophobicContact CD1-CZ 4Å; F559-F820 HydrophobicContact CE1-CE2 4.16Å; F559-F820 HydrophobicContact CE1-CZ 4.01Å; L563-F820 HydrophobicContact CD1-CE1 4.45Å; L563-F820 HydrophobicContact CD1-CE2 4.19Å; L563-F820 HydrophobicContact CD1-CZ 3.59Å; L815-F820 PolarHBondContact O-N 3.32Å; H816-F820 WeakPolarHBondContact O-CB 3.34Å; H816-F820 PolarHBondContact O-N 2.68Å; F820-K823 PolarHBondContact O-N 3.19Å; F820-F824 AromaticContact CD1-CE1 3.83Å; F820-F824 HydrophobicContact CD1-CE1 3.83Å; F820-F824 HydrophobicContact CD1-CZ 4.13Å; F820-F824 HydrophobicContact CD2-CE1 4.4Å; F820-F824 AromaticContact CE1-CE1 3.56Å; F820-F824 HydrophobicContact CE1-CE1 3.56Å; F820-F824 AromaticContact CE1-CZ 3.61Å; F820-F824 HydrophobicContact CE1-CZ 3.61Å; F820-F824 HydrophobicContact CE2-CE1 4.13Å; F820-F824 HydrophobicContact CG-CE1 4.26Å; F820-F824 AromaticContact CZ-CE1 3.72Å; F820-F824 HydrophobicContact CZ-CE1 3.72Å; F820-F824 HydrophobicContact CZ-CZ 4.02Å; F820-F824 WeakPolarHBondContact O-CE1 3.27Å |
| 821 | Q | 88.1 | Confident | 88.4 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -69.1 | -34.7 | -174.2 | -74.2 | 172.1 | -4 | 0 | 0 | 112.9 | Y389 P399 H816 W817 K823 F824 Y825 | Y389-Q821 HydrophobicContact CE1-CB 4.46Å; P399-Q821 HydrophobicContact CB-CG 4.27Å; P399-Q821 HydrophobicContact CG-CG 4.1Å; H816-Q821 WeakPolarHBondContact O-CB 3.41Å; H816-Q821 VanDerWaalsContact O-CG 3.31Å; H816-Q821 WeakPolarHBondContact O-CG 3.16Å; H816-Q821 PolarHBondContact O-N 3.3Å; W817-Q821 VanDerWaalsContact CD1-OE1 3.31Å; Q821-K823 PolarHBondContact O-N 3.36Å; Q821-F824 PolarHBondContact O-N 3.08Å; Q821-F824 VanDerWaalsContact O-N 3.16Å; Q821-Y825 HydrophobicContact CB-CD1 4.37Å; Q821-Y825 VanDerWaalsContact O-CB 3.28Å; Q821-Y825 WeakPolarHBondContact O-CB 3.43Å; Q821-Y825 PolarHBondContact O-N 3.07Å |
| 822 | N | 85.3 | Confident | 88.1 | Confident | 72 Ų | 72 | 37.3 Ų | 37.3 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -57.7 | -13.9 | 178.9 | -163.9 | 15.7 | 0 | 0 | 0 | 114.2 | E736 V818 | E736-N822 PolarHBondContact OE1-ND2 3.02Å; V818-N822 WeakPolarHBondContact O-CB 3.43Å |
| 823 | K | 84.1 | Confident | 87.8 | Confident | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.087 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -88.5 | -22.8 | -178.9 | -59.8 | -53.6 | -171.7 | -176.3 | 0 | 114.9 | V561 Y737 F820 Q821 | V561-K823 HydrophobicContact CG2-CB 4.13Å; V561-K823 HydrophobicContact CG2-CD 4.17Å; V561-K823 HydrophobicContact CG2-CG 4.03Å; Y737-K823 HydrophobicContact CD2-CD 4.27Å; Y737-K823 HydrophobicContact CE2-CD 3.86Å; F820-K823 PolarHBondContact O-N 3.19Å; Q821-K823 PolarHBondContact O-N 3.36Å |
| 824 | F | 85.1 | Confident | 87.4 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.3 | -13.3 | -174.1 | 70 | -89.3 | 0 | 0 | 0 | 114.7 | E396 P399 G560 L563 N567 F820 Q821 | E396-F824 VanDerWaalsContact OE1-O 3.11Å; P399-F824 HydrophobicContact CB-CE2 4.38Å; P399-F824 HydrophobicContact CB-CZ 4.04Å; P399-F824 HydrophobicContact CG-CE2 3.86Å; P399-F824 HydrophobicContact CG-CZ 3.92Å; G560-F824 WeakPolarHBondContact O-CD1 3.46Å; L563-F824 HydrophobicContact CB-CB 4.29Å; L563-F824 HydrophobicContact CB-CD1 4.04Å; L563-F824 HydrophobicContact CB-CD2 4.2Å; L563-F824 HydrophobicContact CB-CE1 4.44Å; L563-F824 HydrophobicContact CB-CG 3.91Å; L563-F824 HydrophobicContact CD1-CD1 4.3Å; L563-F824 HydrophobicContact CD1-CE1 3.88Å; L563-F824 HydrophobicContact CD1-CE2 4.35Å; L563-F824 HydrophobicContact CD1-CZ 3.9Å; N567-F824 PolarHBondContact ND2-O 3.45Å; F820-F824 AromaticContact CD1-CE1 3.83Å; F820-F824 HydrophobicContact CD1-CE1 3.83Å; F820-F824 HydrophobicContact CD1-CZ 4.13Å; F820-F824 HydrophobicContact CD2-CE1 4.4Å; F820-F824 AromaticContact CE1-CE1 3.56Å; F820-F824 HydrophobicContact CE1-CE1 3.56Å; F820-F824 AromaticContact CE1-CZ 3.61Å; F820-F824 HydrophobicContact CE1-CZ 3.61Å; F820-F824 HydrophobicContact CE2-CE1 4.13Å; F820-F824 HydrophobicContact CG-CE1 4.26Å; F820-F824 AromaticContact CZ-CE1 3.72Å; F820-F824 HydrophobicContact CZ-CE1 3.72Å; F820-F824 HydrophobicContact CZ-CZ 4.02Å; F820-F824 WeakPolarHBondContact O-CE1 3.27Å; Q821-F824 PolarHBondContact O-N 3.08Å; Q821-F824 VanDerWaalsContact O-N 3.16Å |
| 825 | Y | 85.6 | Confident | 87.1 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | trans | -109 | 116.8 | -173.2 | -173 | -106 | 0 | 0 | 0 | 110.4 | Y389 G390 V391 G392 E396 P399 Q821 | Y389-Y825 HydrophobicContact CD1-CD1 4.34Å; Y389-Y825 HydrophobicContact CD1-CE1 4.33Å; G390-Y825 WeakPolarHBondContact O-CE1 3.38Å; G390-Y825 PolarHBondContact O-OH 3.27Å; V391-Y825 VanDerWaalsContact C-OH 3.28Å; G392-Y825 VanDerWaalsContact CA-CE2 3.4Å; G392-Y825 VanDerWaalsContact CA-OH 3.26Å; G392-Y825 WeakPolarHBondContact CA-OH 3.49Å; G392-Y825 PolarHBondContact N-OH 3.38Å; E396-Y825 WeakPolarHBondContact OE1-CA 3.47Å; P399-Y825 HydrophobicContact CG-CD2 3.63Å; P399-Y825 HydrophobicContact CG-CE2 3.92Å; P399-Y825 HydrophobicContact CG-CG 3.99Å; Q821-Y825 HydrophobicContact CB-CD1 4.37Å; Q821-Y825 VanDerWaalsContact O-CB 3.28Å; Q821-Y825 WeakPolarHBondContact O-CB 3.43Å; Q821-Y825 PolarHBondContact O-N 3.07Å | ||
| 826 | S | 77.6 | Confident | 86.6 | Confident | 66 Ų | 66 | 38.1 Ų | 38.1 | 46% | 0.462 | 22% | 0.223 | S | C | . | . | trans | -84.8 | -31.6 | -176.7 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | S393 E396 T828 | S393-S826 PolarHBondContact OG-OG 3.02Å; E396-S826 VanDerWaalsContact CD-OG 3.31Å; E396-S826 PolarHBondContact OE1-N 3.23Å; E396-S826 PolarHBondContact OE1-OG 2.95Å; E396-S826 PolarHBondContact OE2-OG 3.06Å; S826-T828 VanDerWaalsContact C-N 3.31Å; S826-T828 PolarHBondContact O-N 3.49Å | ||
| 827 | G | 80.4 | Confident | 86 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | trans | 69.6 | 16.4 | 171 | 0 | 0 | 0 | 0 | 0 | 116.5 | V391 | V391-G827 CarbonylContact O-C 3.53Å; V391-G827 VanDerWaalsContact O-CA 3.26Å; V391-G827 WeakPolarHBondContact O-CA 3.28Å | ||
| 828 | T | 85.3 | Confident | 84.8 | Confident | 115 Ų | 115 | 40.6 Ų | 40.6 | 71% | 0.706 | 25% | 0.249 | S | C | * | . | B | Isolated β-bridge | trans | -97.3 | 10.4 | -176 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | V391 S826 | V391-T828 PolarHBondContact O-N 3.4Å; S826-T828 VanDerWaalsContact C-N 3.31Å; S826-T828 PolarHBondContact O-N 3.49Å |
| 829 | G | 85.6 | Confident | 83.3 | Confident | 23 Ų | 23 | 45 Ų | 45 | 24% | 0.237 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 167.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V391 G392 | V391-G829 WeakPolarHBondContact O-CA 3.38Å; V391-G829 PolarHBondContact O-N 2.92Å; G392-G829 WeakPolarHBondContact O-CA 3.17Å |
| 830 | V | 88.3 | Confident | 81.8 | Confident | 89 Ų | 89 | 46.5 Ų | 46.5 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 129.9 | 171.9 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | P370 T371 | P370-V830 CarbonylContact C-O 3.5Å; P370-V830 WeakPolarHBondContact CA-O 3.43Å; T371-V830 PolarHBondContact N-O 3.14Å; T371-V830 PolarHBondContact OG1-O 3.27Å |
| 831 | K | 88.1 | Confident | 80.2 | Confident | 90 Ų | 90 | 49.2 Ų | 49.2 | 39% | 0.391 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 131.8 | 178.1 | -174.5 | 168.2 | -179 | 152.9 | 0 | 109.9 | D387 V391 C833 | D387-K831 IonicContact OD2-NZ 2.77Å; D387-K831 PolarHBondContact OD2-NZ 3.46Å; V391-K831 HydrophobicContact CG1-CB 4.13Å; V391-K831 HydrophobicContact CG2-CB 3.86Å; K831-C833 PolarHBondContact O-N 3.2Å |
| 832 | F | 89.3 | Confident | 78.3 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -70 | 118 | 172.7 | -178.7 | -103.8 | 0 | 0 | 0 | 110.6 | M10 E36 W332 P370 T371 L372 P834 | M10-F832 HydrophobicContact CE-CB 4.16Å; M10-F832 HydrophobicContact CE-CD1 4.23Å; M10-F832 HydrophobicContact CE-CD2 3.58Å; M10-F832 HydrophobicContact CE-CE2 3.93Å; M10-F832 HydrophobicContact CE-CG 3.72Å; M10-F832 HydrophobicContact CE-CZ 4.37Å; E36-F832 HydrophobicContact CB-CD2 3.95Å; E36-F832 HydrophobicContact CB-CE2 3.5Å; E36-F832 VanDerWaalsContact CB-CE2 3.5Å; E36-F832 HydrophobicContact CB-CZ 4.2Å; E36-F832 WeakPolarHBondContact OE2-CA 3.31Å; E36-F832 WeakPolarHBondContact OE2-CD2 3.35Å; W332-F832 HydrophobicContact CB-CE2 4.16Å; P370-F832 HydrophobicContact CB-CB 4.04Å; P370-F832 HydrophobicContact CB-CD2 4.15Å; P370-F832 HydrophobicContact CG-CB 4.49Å; P370-F832 HydrophobicContact CG-CD2 3.7Å; T371-F832 WeakPolarHBondContact O-CB 3.32Å; T371-F832 PolarHBondContact O-N 3.48Å; T371-F832 VanDerWaalsContact O-N 3.11Å; L372-F832 HydrophobicContact CB-CB 3.97Å; L372-F832 HydrophobicContact CB-CD1 4.01Å; L372-F832 HydrophobicContact CB-CG 4.1Å; L372-F832 HydrophobicContact CD1-CD1 3.84Å; L372-F832 HydrophobicContact CD1-CE1 4.48Å; L372-F832 HydrophobicContact CD2-CD1 4.13Å; L372-F832 HydrophobicContact CD2-CE1 4.17Å; L372-F832 HydrophobicContact CG-CD1 4.2Å; F832-P834 HydrophobicContact CD1-CB 4.37Å; F832-P834 HydrophobicContact CD1-CG 4.25Å; F832-P834 HydrophobicContact CE1-CB 3.64Å; F832-P834 HydrophobicContact CE1-CG 3.92Å; F832-P834 HydrophobicContact CZ-CB 4.08Å; F832-P834 WeakPolarHBondContact O-CD 3.33Å |
| 833 | C | 86.2 | Confident | 76.5 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 53% | 0.527 | 32% | 0.315 | S | S | . | . | trans | -115.8 | 91.3 | 179.1 | -75.7 | 0 | 0 | 0 | 0 | 108.9 | E36 K831 | E36-C833 WeakPolarHBondContact CG-O 3.38Å; E36-C833 PolarHBondContact OE2-N 3.43Å; E36-C833 VanDerWaalsContact OE2-N 3.13Å; K831-C833 PolarHBondContact O-N 3.2Å | ||
| 834 | P | 86.7 | Confident | 74.8 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | trans | -68.8 | 144.4 | -178.2 | 26.2 | -30.8 | 0 | 0 | 0 | 111.3 | G33 F832 S836 | G33-P834 WeakPolarHBondContact O-CB 3.33Å; F832-P834 HydrophobicContact CD1-CB 4.37Å; F832-P834 HydrophobicContact CD1-CG 4.25Å; F832-P834 HydrophobicContact CE1-CB 3.64Å; F832-P834 HydrophobicContact CE1-CG 3.92Å; F832-P834 HydrophobicContact CZ-CB 4.08Å; F832-P834 WeakPolarHBondContact O-CD 3.33Å; P834-S836 PolarHBondContact O-N 3.25Å | ||
| 835 | F | 86.3 | Confident | 72.8 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | trans | -68.9 | 98.7 | 168.3 | 177.6 | -110.9 | 0 | 0 | 0 | 109.7 | I26 G30 G33 V35 F37 A310 I314 F837 | I26-F835 HydrophobicContact CG2-CE1 3.79Å; I26-F835 HydrophobicContact CG2-CZ 4.24Å; G30-F835 VanDerWaalsContact CA-CE1 3.46Å; G33-F835 WeakPolarHBondContact CA-O 3.41Å; V35-F835 WeakPolarHBondContact O-CB 3.45Å; V35-F835 PolarHBondContact O-N 3.44Å; F37-F835 HydrophobicContact CD2-CB 3.96Å; F37-F835 HydrophobicContact CD2-CG 4.32Å; F37-F835 HydrophobicContact CE2-CB 4.01Å; F37-F835 AromaticContact CE2-CD1 3.93Å; F37-F835 HydrophobicContact CE2-CD1 3.93Å; F37-F835 HydrophobicContact CE2-CG 4.12Å; A310-F835 HydrophobicContact CB-CE2 3.97Å; A310-F835 HydrophobicContact CB-CZ 4.32Å; I314-F835 HydrophobicContact CD1-CD2 3.7Å; I314-F835 HydrophobicContact CD1-CE2 4.01Å; I314-F835 HydrophobicContact CD1-CG 4.18Å; I314-F835 HydrophobicContact CG1-CD1 4.27Å; I314-F835 HydrophobicContact CG1-CD2 3.47Å; I314-F835 VanDerWaalsContact CG1-CD2 3.47Å; I314-F835 HydrophobicContact CG1-CE1 4.13Å; I314-F835 HydrophobicContact CG1-CE2 3.3Å; I314-F835 HydrophobicContact CG1-CG 3.96Å; I314-F835 HydrophobicContact CG1-CZ 3.66Å; F835-F837 HydrophobicContact CE1-CE1 4.33Å; F835-F837 HydrophobicContact CE1-CZ 4.41Å; F835-F837 AromaticContact CZ-CE1 3.82Å; F835-F837 HydrophobicContact CZ-CE1 3.82Å; F835-F837 HydrophobicContact CZ-CZ 4.26Å | ||
| 836 | S | 84 | Confident | 70.6 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | trans | -132.7 | 136.1 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | G30 P834 S838 L839 | G30-S836 CarbonylContact O-C 3.56Å; G30-S836 WeakPolarHBondContact O-CA 3.43Å; P834-S836 PolarHBondContact O-N 3.25Å; S836-S838 PolarHBondContact O-N 3.31Å; S836-S838 PolarHBondContact OG-N 3.42Å; S836-S838 PolarHBondContact OG-OG 3.34Å; S836-L839 PolarHBondContact O-N 3.29Å | ||
| 837 | F | 78.8 | Confident | 68.6 | Low | 12 Ų | 12 | 68 Ų | 68 | 5% | 0.053 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -69.8 | -16.8 | 173 | -61.5 | -45.3 | 0 | 0 | 0 | 113.7 | S27 G30 E31 K307 A310 I311 F835 L839 L840 | S27-F837 WeakPolarHBondContact O-CE2 3.13Å; G30-F837 WeakPolarHBondContact O-CD2 3.45Å; G30-F837 PolarHBondContact O-N 2.9Å; E31-F837 HydrophobicContact CG-CD2 3.9Å; E31-F837 HydrophobicContact CG-CE2 4.05Å; K307-F837 HydrophobicContact CB-CD1 4.14Å; K307-F837 HydrophobicContact CB-CE1 4.01Å; K307-F837 HydrophobicContact CB-CZ 4.38Å; K307-F837 HydrophobicContact CD-CB 4.38Å; K307-F837 HydrophobicContact CD-CD1 4.37Å; K307-F837 HydrophobicContact CD-CD2 4.05Å; K307-F837 HydrophobicContact CD-CE2 4.42Å; K307-F837 HydrophobicContact CD-CG 4.03Å; K307-F837 HydrophobicContact CG-CB 4.27Å; K307-F837 HydrophobicContact CG-CD1 3.75Å; K307-F837 HydrophobicContact CG-CD2 4.32Å; K307-F837 HydrophobicContact CG-CE1 4.12Å; K307-F837 HydrophobicContact CG-CG 3.86Å; A310-F837 HydrophobicContact CB-CE1 4.35Å; I311-F837 HydrophobicContact CD1-CZ 3.86Å; I311-F837 HydrophobicContact CG1-CE1 4.08Å; I311-F837 HydrophobicContact CG1-CZ 3.71Å; F835-F837 HydrophobicContact CE1-CE1 4.33Å; F835-F837 HydrophobicContact CE1-CZ 4.41Å; F835-F837 AromaticContact CZ-CE1 3.82Å; F835-F837 HydrophobicContact CZ-CE1 3.82Å; F835-F837 HydrophobicContact CZ-CZ 4.26Å; F837-L839 PolarHBondContact O-N 3.01Å; F837-L840 HydrophobicContact CB-CD1 4.29Å; F837-L840 HydrophobicContact CD1-CD1 3.75Å; F837-L840 HydrophobicContact CG-CD1 4.46Å; F837-L840 WeakPolarHBondContact O-CB 3.35Å; F837-L840 PolarHBondContact O-N 3.08Å |
| 838 | S | 65.6 | Low | 66.2 | Low | 104 Ų | 104 | 68.9 Ų | 68.9 | 73% | 0.727 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -67.9 | -19 | 176.8 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | S836 | S836-S838 PolarHBondContact O-N 3.31Å; S836-S838 PolarHBondContact OG-N 3.42Å; S836-S838 PolarHBondContact OG-OG 3.34Å |
| 839 | L | 58.7 | Low | 63.4 | Low | 122 Ų | 122 | 71.6 Ų | 71.6 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -87.1 | -9.6 | 178.9 | -67.4 | 166.6 | 0 | 0 | 0 | 112.5 | S836 F837 P841 | S836-L839 PolarHBondContact O-N 3.29Å; F837-L839 PolarHBondContact O-N 3.01Å; L839-P841 WeakPolarHBondContact O-CD 3.48Å |
| 840 | L | 60.5 | Low | 60.8 | Low | 36 Ų | 36 | 78.3 Ų | 78.3 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -72.5 | 122.2 | 178.5 | -70.5 | 168 | 0 | 0 | 0 | 109.5 | K306 K307 A310 F837 S842 L850 | K306-L840 HydrophobicContact CB-CD1 4.44Å; K307-L840 HydrophobicContact CG-CD1 4.06Å; A310-L840 HydrophobicContact CB-CD1 4.46Å; F837-L840 HydrophobicContact CB-CD1 4.29Å; F837-L840 HydrophobicContact CD1-CD1 3.75Å; F837-L840 HydrophobicContact CG-CD1 4.46Å; F837-L840 WeakPolarHBondContact O-CB 3.35Å; F837-L840 PolarHBondContact O-N 3.08Å; L840-S842 PolarHBondContact O-N 2.94Å; L840-L850 HydrophobicContact CD2-CD2 4.12Å |
| 841 | P | 55.6 | Low | 59.4 | Low | 56 Ų | 56 | 77.8 Ų | 77.8 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | trans | -62.5 | 127.8 | 179.5 | 22.5 | -30.6 | 0 | 0 | 0 | 110.2 | K306 L839 S843 | K306-P841 PolarHBondContact NZ-O 2.88Å; L839-P841 WeakPolarHBondContact O-CD 3.48Å; P841-S843 PolarHBondContact O-N 3.45Å | ||
| 842 | S | 47.3 | Very low | 57.9 | Low | 56 Ų | 56 | 77.2 Ų | 77.2 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -70.6 | -14 | 175.7 | 56.8 | 0 | 0 | 0 | 0 | 113 | L840 | L840-S842 PolarHBondContact O-N 2.94Š|
| 843 | S | 47.1 | Very low | 56.1 | Low | 58 Ų | 58 | 80.7 Ų | 80.7 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | trans | -100 | 144 | 177.4 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | K306 P841 | K306-S843 PolarHBondContact NZ-O 3.49Å; P841-S843 PolarHBondContact O-N 3.45Å | ||
| 844 | F | 48.5 | Very low | 54.4 | Low | 55 Ų | 55 | 80.9 Ų | 80.9 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -93.9 | 6.6 | 174.1 | -99.3 | -69 | 0 | 0 | 0 | 112.8 | E62 L69 V302 K306 H846 | E62-F844 HydrophobicContact CB-CE1 4.48Å; E62-F844 HydrophobicContact CG-CE1 4.45Å; E62-F844 HydrophobicContact CG-CZ 4.27Å; L69-F844 HydrophobicContact CD1-CB 3.99Å; L69-F844 HydrophobicContact CD1-CD2 3.58Å; L69-F844 HydrophobicContact CD1-CE2 4.36Å; L69-F844 HydrophobicContact CD1-CG 4.08Å; V302-F844 HydrophobicContact CB-CD2 4.15Å; V302-F844 HydrophobicContact CB-CE2 3.62Å; V302-F844 HydrophobicContact CG1-CD2 3.45Å; V302-F844 VanDerWaalsContact CG1-CD2 3.45Å; V302-F844 HydrophobicContact CG1-CE2 3.15Å; V302-F844 HydrophobicContact CG1-CZ 4.18Å; V302-F844 HydrophobicContact CG2-CD2 3.75Å; V302-F844 HydrophobicContact CG2-CE2 3.4Å; K306-F844 HydrophobicContact CG-CZ 4.47Å; F844-H846 PolarHBondContact O-N 3.27Å |
| 845 | E | 43.6 | Very low | 52.4 | Low | 99 Ų | 99 | 83.8 Ų | 83.8 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | trans | -78.2 | -4.8 | -176.9 | -69.4 | -162.2 | 157.9 | 0 | 0 | 114.3 | K73 R444 D847 | K73-E845 IonicContact NZ-OE1 3.99Å; K73-E845 PolarHBondContact NZ-OE1 3Å; R444-E845 IonicContact CZ-OE2 3.26Å; R444-E845 IonicContact NE-OE2 3.9Å; R444-E845 IonicContact NH2-OE1 3.32Å; R444-E845 PolarHBondContact NH2-OE1 2.65Å; R444-E845 IonicContact NH2-OE2 3.54Å; R444-E845 PolarHBondContact NH2-OE2 3.41Å; E845-D847 PolarHBondContact O-N 2.99Å | ||
| 846 | H | 39.5 | Very low | 50.1 | Low | 137 Ų | 137 | 87.5 Ų | 87.5 | 63% | 0.634 | 49% | 0.493 | S | S | * | . | trans | -89.2 | 92.3 | 165.3 | -73.2 | -57.2 | 0 | 0 | 0 | 109.1 | F844 G848 | F844-H846 PolarHBondContact O-N 3.27Å; H846-G848 PolarHBondContact O-N 3.16Å | ||
| 847 | D | 34.8 | Very low | 47.7 | Very low | 178 Ų | 178 | 92.2 Ų | 92.2 | 95% | 0.952 | 52% | 0.518 | S | S | * | . | trans | -64.8 | 21.9 | 161 | -92 | -23.2 | 0 | 0 | 0 | 112.4 | E845 | E845-D847 PolarHBondContact O-N 2.99Š| ||
| 848 | G | 31.4 | Very low | 45.3 | Very low | 41 Ų | 41 | 98.4 Ų | 98.4 | 42% | 0.423 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -155.7 | 123.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | H846 | H846-G848 PolarHBondContact O-N 3.16Š|
| 849 | L | 26.6 | Very low | 43.6 | Very low | 172 Ų | 172 | 97.9 Ų | 97.9 | 90% | 0.901 | 54% | 0.539 | S | S | * | . | trans | 83.4 | 86.7 | 163.2 | -56.8 | 158.8 | 0 | 0 | 0 | 115.9 | ||||
| 850 | L | 29.4 | Very low | 42.2 | Very low | 165 Ų | 165 | 95.7 Ų | 95.7 | 86% | 0.864 | 53% | 0.53 | S | S | * | . | -83.5 | 0 | 120.8 | -91.8 | 167.8 | 0 | 0 | 0 | 108 | K309 L840 | K309-L850 HydrophobicContact CD-CD1 4.05Å; L840-L850 HydrophobicContact CD2-CD2 4.12Å |
Retrieved 850 of 850 residues in 612.1 ms
(Link to these results)