| 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 | 28.9 | Very low | 50.2 | Low | 246 Ų | 246 | 80.9 Ų | 80.9 | 100% | 1.212 | 50% | 0.495 | S | S | * | . | 0 | 109.7 | 0 | -66 | -171.2 | -179.9 | 0 | 0 | 107.1 | |||||
| 2 | G | 27.5 | Very low | 53.9 | Low | 62 Ų | 62 | 75.8 Ų | 75.8 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | trans | -63.1 | 158.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S4 | G2-S4 PolarHBondContact O-N 2.86Š| ||
| 3 | P | 31.9 | Very low | 57.3 | Low | 123 Ų | 123 | 70 Ų | 70 | 80% | 0.799 | 43% | 0.425 | S | S | * | . | trans | -53.4 | 121 | 179.6 | 23.5 | -31.2 | 0 | 0 | 0 | 107.7 | V5 | P3-V5 PolarHBondContact O-N 2.75Š| ||
| 4 | S | 32.8 | Very low | 60.2 | Low | 106 Ų | 106 | 65.3 Ų | 65.3 | 74% | 0.741 | 40% | 0.396 | S | S | * | . | trans | -53.3 | 113.4 | 176.7 | 59.4 | 0 | 0 | 0 | 0 | 106.7 | G2 S6 | G2-S4 PolarHBondContact O-N 2.86Å; S4-S6 PolarHBondContact O-N 2.79Å | ||
| 5 | V | 38.2 | Very low | 62.7 | Low | 101 Ų | 101 | 60.9 Ų | 60.9 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | trans | -74.6 | 58.3 | 173.2 | -170 | 0 | 0 | 0 | 0 | 107.4 | P3 G7 | P3-V5 PolarHBondContact O-N 2.75Å; V5-G7 PolarHBondContact O-N 3.5Å; V5-G7 VanDerWaalsContact O-N 3.17Å | ||
| 6 | S | 40.7 | Very low | 64.9 | Low | 66 Ų | 66 | 57.2 Ų | 57.2 | 46% | 0.462 | 35% | 0.347 | S | S | . | . | trans | -71.9 | 9.3 | 168.6 | 179 | 0 | 0 | 0 | 0 | 111.1 | S4 R8 N9 | S4-S6 PolarHBondContact O-N 2.79Å; S6-R8 VanDerWaalsContact C-N 3.3Å; S6-R8 PolarHBondContact O-N 3.48Å; S6-N9 PolarHBondContact O-OD1 3.13Å; S6-N9 PolarHBondContact OG-ND2 3Å | ||
| 7 | G | 46.3 | Very low | 66.8 | Low | 30 Ų | 30 | 53.9 Ų | 53.9 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11.4 | -164 | 0 | 0 | 0 | 0 | 0 | 115.3 | V5 C325 | V5-G7 PolarHBondContact O-N 3.5Å; V5-G7 VanDerWaalsContact O-N 3.17Å; G7-C325 VanDerWaalsContact O-CB 3.3Å; G7-C325 WeakPolarHBondContact O-CB 3.46Å; G7-C325 PolarHBondContact O-N 3.29Å; G7-C325 PolarHBondContact O-SG 3.25Å |
| 8 | R | 58.2 | Low | 68.3 | Low | 30 Ų | 30 | 51.1 Ų | 51.1 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 48.3 | -176.4 | -75.8 | -170.1 | 174.2 | 134.2 | -5.9 | 113.4 | S6 R10 L242 Q243 P244 D246 | S6-R8 VanDerWaalsContact C-N 3.3Å; S6-R8 PolarHBondContact O-N 3.48Å; R8-R10 PolarHBondContact O-N 2.66Å; R8-L242 VanDerWaalsContact NH1-CB 3.34Å; R8-Q243 PolarHBondContact NH1-O 2.83Å; R8-Q243 PolarHBondContact NH2-O 3.25Å; R8-P244 PolarHBondContact NH2-O 3.11Å; R8-D246 PolarHBondContact NH2-O 3.24Å |
| 9 | N | 67.4 | Low | 69.5 | Low | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | trans | -87.5 | 20.5 | 171.6 | -61.2 | -0.8 | 0 | 0 | 0 | 112.1 | S6 R362 A363 | S6-N9 PolarHBondContact O-OD1 3.13Å; S6-N9 PolarHBondContact OG-ND2 3Å; N9-R362 CarbonylContact O-C 3.51Å; N9-R362 VanDerWaalsContact O-CA 3.25Å; N9-R362 WeakPolarHBondContact O-CA 3.3Å; N9-A363 HydrophobicContact CB-CB 3.98Å; N9-A363 PolarHBondContact O-N 3.41Å; N9-A363 VanDerWaalsContact O-N 3.09Å | ||
| 10 | R | 86.4 | Confident | 70.6 | Confident | 74 Ų | 74 | 47.5 Ų | 47.5 | 28% | 0.279 | 29% | 0.286 | S | S | . | . | trans | -134.2 | 110.9 | -178 | -65.5 | -174.1 | -172.6 | -175.3 | 1.5 | 110 | R8 D323 A329 I361 | R8-R10 PolarHBondContact O-N 2.66Å; R10-D323 HydrophobicContact CB-CB 3.94Å; R10-D323 PolarHBondContact O-N 2.81Å; R10-D323 VanDerWaalsContact O-N 3.14Å; R10-A329 PolarHBondContact NH1-O 2.86Å; R10-I361 CarbonylContact C-O 3.2Å; R10-I361 VanDerWaalsContact CA-O 3.28Å; R10-I361 WeakPolarHBondContact CA-O 3.5Å | ||
| 11 | L | 93.8 | Very high | 71.5 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.4 | -179.4 | -53.4 | 175.1 | 0 | 0 | 0 | 108.8 | V13 L41 V44 I125 V320 L321 F322 H360 I361 | L11-V13 HydrophobicContact CB-CG2 4.48Å; L11-L41 HydrophobicContact CD1-CD2 4.41Å; L11-V44 HydrophobicContact CD1-CB 4.32Å; L11-V44 HydrophobicContact CD1-CG2 3.81Å; L11-I125 HydrophobicContact CD1-CD1 4.12Å; L11-I125 HydrophobicContact CD1-CG2 4.38Å; L11-V320 HydrophobicContact CB-CG1 4.04Å; L11-V320 HydrophobicContact CD2-CG1 4.07Å; L11-V320 HydrophobicContact CG-CG1 4.45Å; L11-L321 WeakPolarHBondContact CA-O 3.42Å; L11-F322 HydrophobicContact CD2-CD1 3.48Å; L11-F322 VanDerWaalsContact CD2-CD1 3.48Å; L11-F322 HydrophobicContact CD2-CE1 3.91Å; L11-H360 CarbonylContact O-C 3.57Å; L11-H360 WeakPolarHBondContact O-CA 3.44Å; L11-I361 HydrophobicContact CB-CB 4.33Å; L11-I361 PolarHBondContact N-O 2.93Å; L11-I361 PolarHBondContact O-N 3.32Å |
| 12 | R | 94.7 | Very high | 74.4 | Confident | 20 Ų | 20 | 36 Ų | 36 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.2 | 166.3 | -77.8 | -178.1 | -69.7 | 152.2 | 6.9 | 109 | E273 E292 V320 L321 D323 V358 V359 H360 | R12-E273 IonicContact CZ-OE1 2.83Å; R12-E273 IonicContact CZ-OE2 3.78Å; R12-E273 IonicContact NH1-OE1 3.13Å; R12-E273 PolarHBondContact NH1-OE1 2.91Å; R12-E273 IonicContact NH1-OE2 4Å; R12-E273 PolarHBondContact NH1-OE2 3.02Å; R12-E273 IonicContact NH2-OE1 3.78Å; R12-E273 PolarHBondContact NH2-OE1 2.76Å; R12-E273 IonicContact NH2-OE2 3.88Å; R12-E292 WeakPolarHBondContact CD-OE2 3.29Å; R12-E292 IonicContact CZ-OE2 3.66Å; R12-E292 IonicContact NE-OE2 2.7Å; R12-E292 IonicContact NH1-OE2 2.76Å; R12-E292 PolarHBondContact NH1-OE2 3.1Å; R12-V320 CarbonylContact O-C 3.57Å; R12-V320 WeakPolarHBondContact O-CA 3.49Å; R12-L321 HydrophobicContact CB-CB 4.22Å; R12-L321 PolarHBondContact N-O 3.49Å; R12-L321 VanDerWaalsContact N-O 3.09Å; R12-L321 PolarHBondContact O-N 3.21Å; R12-D323 WeakPolarHBondContact CD-OD2 3.44Å; R12-D323 WeakPolarHBondContact CG-OD2 3.44Å; R12-D323 IonicContact CZ-OD1 3.87Å; R12-D323 IonicContact CZ-OD2 3.49Å; R12-D323 IonicContact NE-OD1 3.56Å; R12-D323 PolarHBondContact NE-OD1 2.99Å; R12-D323 VanDerWaalsContact NE-OD1 3.16Å; R12-D323 IonicContact NE-OD2 2.82Å; R12-D323 PolarHBondContact NE-OD2 2.99Å; R12-D323 IonicContact NH2-OD1 3.65Å; R12-D323 PolarHBondContact NH2-OD1 2.74Å; R12-D323 IonicContact NH2-OD2 3.03Å; R12-V358 HydrophobicContact CB-CG1 4.15Å; R12-V358 HydrophobicContact CG-CG1 4.37Å; R12-V359 CarbonylContact C-O 3.46Å; R12-V359 WeakPolarHBondContact CA-O 3.46Å; R12-H360 HydrophobicContact CG-CB 4.12Å |
| 13 | V | 97.6 | Very high | 77.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.1 | -178.4 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | L11 V15 I31 L46 I318 T319 V320 V359 I361 | L11-V13 HydrophobicContact CB-CG2 4.48Å; V13-V15 HydrophobicContact CG1-CG2 4.47Å; V13-I31 HydrophobicContact CG1-CG2 4.17Å; V13-L46 HydrophobicContact CG1-CD2 4.13Å; V13-I318 HydrophobicContact CG1-CG2 4.2Å; V13-T319 CarbonylContact C-O 3.42Å; V13-T319 WeakPolarHBondContact CA-O 3.41Å; V13-V320 HydrophobicContact CG1-CG2 4.33Å; V13-V320 HydrophobicContact CG2-CG1 4.37Å; V13-V320 HydrophobicContact CG2-CG2 4.1Å; V13-V359 PolarHBondContact N-O 3.2Å; V13-V359 PolarHBondContact O-N 3.31Å; V13-I361 HydrophobicContact CG2-CD1 3.96Å |
| 14 | S | 98 | Very high | 79.7 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.9 | 171.2 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | N294 H295 A296 I318 T319 | S14-N294 WeakPolarHBondContact CB-OD1 3.23Å; S14-H295 PolarHBondContact OG-N 2.71Å; S14-A296 WeakPolarHBondContact O-CB 3.41Å; S14-A296 PolarHBondContact OG-N 3.45Å; S14-A296 VanDerWaalsContact OG-N 3.08Å; S14-I318 WeakPolarHBondContact O-CA 3.45Å; S14-T319 PolarHBondContact N-O 2.82Å; S14-T319 PolarHBondContact O-N 3.13Å |
| 15 | V | 98.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140.8 | -176.6 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | V13 V29 I31 V317 I318 L351 P397 | V13-V15 HydrophobicContact CG1-CG2 4.47Å; V15-V29 HydrophobicContact CG1-CG2 3.93Å; V15-I31 HydrophobicContact CG1-CD1 4.31Å; V15-I31 HydrophobicContact CG2-CD1 3.54Å; V15-I31 HydrophobicContact CG2-CG1 3.89Å; V15-V317 CarbonylContact C-O 3.54Å; V15-V317 WeakPolarHBondContact CA-O 3.5Å; V15-I318 HydrophobicContact CG1-CG1 4.36Å; V15-I318 HydrophobicContact CG2-CG1 4.27Å; V15-I318 HydrophobicContact CG2-CG2 4.33Å; V15-L351 HydrophobicContact CB-CD1 4.15Å; V15-L351 HydrophobicContact CG2-CD1 3.62Å; V15-P397 HydrophobicContact CG1-CB 4.44Å; V15-P397 WeakPolarHBondContact CG1-O 3.39Å |
| 16 | C | 97.6 | Very high | 85.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 126.4 | 172 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | A296 R297 A300 V317 | C16-A296 HydrophobicContact CB-CB 3.97Å; C16-R297 HydrophobicContact CB-CB 4.09Å; C16-A300 HydrophobicContact CB-CB 4.11Å; C16-A300 VanDerWaalsContact SG-CB 3.53Å; C16-V317 PolarHBondContact N-O 2.93Å; C16-V317 PolarHBondContact O-N 3Å |
| 17 | C | 96.6 | Very high | 88 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.2 | 175.3 | -73.1 | 0 | 0 | 0 | 0 | 108.9 | M25 V29 I315 S316 G398 Y399 T400 | C17-M25 HydrophobicContact CB-CE 3.79Å; C17-V29 VanDerWaalsContact SG-CG1 3.57Å; C17-I315 CarbonylContact C-O 3.59Å; C17-I315 VanDerWaalsContact CA-O 3.3Å; C17-I315 WeakPolarHBondContact CA-O 3.41Å; C17-S316 PolarHBondContact SG-OG 2.92Å; C17-G398 PolarHBondContact N-O 2.83Å; C17-Y399 HydrophobicContact CB-CD2 4.09Å; C17-Y399 WeakPolarHBondContact O-CA 3.46Å; C17-T400 PolarHBondContact O-N 2.92Å |
| 18 | N | 93.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.9 | -179.8 | -169.8 | -79.4 | 0 | 0 | 0 | 110.3 | G20 I315 | N18-G20 PolarHBondContact O-N 3.46Å; N18-G20 WeakPolarHBondContact OD1-CA 3.32Å; N18-G20 PolarHBondContact OD1-N 3.1Å; N18-I315 PolarHBondContact N-O 3.49Å; N18-I315 PolarHBondContact O-N 3.49Å |
| 19 | Q | 92.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 20.7 Ų | 20.7 | 14% | 0.14 | 9% | 0.087 | C | C | . | . | trans | -72.3 | -17 | -176.5 | -172 | 179.1 | -57.4 | 0 | 0 | 113.4 | G21 R22 R23 Y24 M25 N314 Y399 Y402 | Q19-G21 PolarHBondContact O-N 3.35Å; Q19-R22 PolarHBondContact NE2-O 3.03Å; Q19-R22 PolarHBondContact O-N 2.91Å; Q19-R23 VanDerWaalsContact NE2-C 3.32Å; Q19-R23 PolarHBondContact NE2-O 2.93Å; Q19-R23 VanDerWaalsContact NE2-O 3.16Å; Q19-Y24 WeakPolarHBondContact CG-O 3.38Å; Q19-M25 HydrophobicContact CB-SD 4.38Å; Q19-M25 HydrophobicContact CG-CB 4.32Å; Q19-N314 PolarHBondContact O-ND2 3.5Å; Q19-Y399 HydrophobicContact CB-CE2 4.15Å; Q19-Y399 PolarHBondContact OE1-OH 2.76Å; Q19-Y402 VanDerWaalsContact C-OH 3.24Å; Q19-Y402 HydrophobicContact CB-CE2 4.04Å; Q19-Y402 VanDerWaalsContact CB-OH 3.31Å; Q19-Y402 WeakPolarHBondContact CB-OH 3.3Å; Q19-Y402 HydrophobicContact CG-CE2 4.35Å; Q19-Y402 WeakPolarHBondContact CG-OH 3.2Å | ||
| 20 | G | 90.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -116.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N18 D313 Y378 Y402 | N18-G20 PolarHBondContact O-N 3.46Å; N18-G20 WeakPolarHBondContact OD1-CA 3.32Å; N18-G20 PolarHBondContact OD1-N 3.1Å; G20-D313 WeakPolarHBondContact CA-O 3.5Å; G20-Y378 WeakPolarHBondContact O-CD1 3.36Å; G20-Y378 WeakPolarHBondContact O-CE1 3.28Å; G20-Y402 PolarHBondContact N-OH 3.07Å; G20-Y402 WeakPolarHBondContact O-CE1 3.46Å; G20-Y402 PolarHBondContact O-OH 3.11Å |
| 21 | G | 89.6 | Confident | 94.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 0.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q19 R311 A312 Y378 E383 | Q19-G21 PolarHBondContact O-N 3.35Å; G21-R311 WeakPolarHBondContact O-CG 3.45Å; G21-A312 WeakPolarHBondContact CA-O 3.42Å; G21-A312 PolarHBondContact N-O 2.74Å; G21-Y378 WeakPolarHBondContact CA-OH 3.25Å; G21-E383 WeakPolarHBondContact O-CB 3.35Å; G21-E383 PolarHBondContact O-N 3.01Å |
| 22 | R | 89.5 | Confident | 94.6 | Very high | 53 Ų | 53 | 18 Ų | 18 | 20% | 0.2 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -80.9 | 159.8 | -174.6 | -61.3 | -58.8 | -162.3 | 96.3 | -0.6 | 111.4 | Q19 Y24 D313 | Q19-R22 PolarHBondContact NE2-O 3.03Å; Q19-R22 PolarHBondContact O-N 2.91Å; R22-Y24 VanDerWaalsContact C-N 3.32Å; R22-D313 WeakPolarHBondContact CG-OD1 3.48Å; R22-D313 IonicContact CZ-OD1 2.8Å; R22-D313 IonicContact CZ-OD2 3.3Å; R22-D313 IonicContact NE-OD1 3.22Å; R22-D313 PolarHBondContact NE-OD1 3.46Å; R22-D313 IonicContact NE-OD2 2.76Å; R22-D313 IonicContact NH1-OD1 2.96Å; R22-D313 IonicContact NH2-OD1 2.59Å; R22-D313 PolarHBondContact NH2-OD1 2.77Å; R22-D313 IonicContact NH2-OD2 2.96Å; R22-D313 PolarHBondContact NH2-OD2 3.14Å |
| 23 | R | 84.2 | Confident | 94.6 | Very high | 70 Ų | 70 | 18 Ų | 18 | 26% | 0.264 | 8% | 0.078 | S | C | . | . | S | Bend | trans | -71.1 | -28.8 | 176.4 | -58.8 | -175 | -164.8 | -161.2 | -7.6 | 113.3 | Q19 E383 T384 P391 | Q19-R23 VanDerWaalsContact NE2-C 3.32Å; Q19-R23 PolarHBondContact NE2-O 2.93Å; Q19-R23 VanDerWaalsContact NE2-O 3.16Å; R23-E383 HydrophobicContact CG-CB 3.67Å; R23-E383 HydrophobicContact CG-CG 3.85Å; R23-E383 IonicContact CZ-OE1 3.33Å; R23-E383 VanDerWaalsContact CZ-OE1 3.29Å; R23-E383 VanDerWaalsContact NE-CG 3.33Å; R23-E383 IonicContact NE-OE1 2.85Å; R23-E383 PolarHBondContact NE-OE1 3.04Å; R23-E383 IonicContact NE-OE2 3.22Å; R23-E383 IonicContact NH2-OE1 2.9Å; R23-E383 PolarHBondContact NH2-OE1 2.81Å; R23-T384 PolarHBondContact NE-O 3.02Å; R23-T384 VanDerWaalsContact NE-O 3.17Å; R23-T384 PolarHBondContact NH1-O 2.7Å; R23-T384 PolarHBondContact NH2-O 2.92Å; R23-P391 WeakPolarHBondContact O-CG 3.34Å |
| 24 | Y | 87.6 | Confident | 94.4 | Very high | 82 Ų | 82 | 21.2 Ų | 21.2 | 32% | 0.322 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -134.2 | 161.4 | -171.3 | 42.1 | -112.8 | 0 | 0 | 0 | 109.6 | Q19 R22 E26 N314 | Q19-Y24 WeakPolarHBondContact CG-O 3.38Å; R22-Y24 VanDerWaalsContact C-N 3.32Å; Y24-E26 HydrophobicContact CD2-CB 4.35Å; Y24-E26 VanDerWaalsContact CD2-CD 3.45Å; Y24-E26 HydrophobicContact CD2-CG 3.41Å; Y24-E26 VanDerWaalsContact CD2-CG 3.41Å; Y24-E26 HydrophobicContact CE2-CG 3.73Å; Y24-E26 WeakPolarHBondContact CE2-OE2 3.42Å; Y24-E26 HydrophobicContact CG-CG 4.19Å; Y24-N314 PolarHBondContact O-ND2 3.37Å; Y24-N314 PolarHBondContact O-OD1 2.91Å |
| 25 | M | 92.8 | Very high | 94 | Very high | 9 Ų | 9 | 22.6 Ų | 22.6 | 4% | 0.044 | 10% | 0.098 | C | C | . | . | trans | -109.7 | 95.5 | 170.9 | -172 | 64.1 | 175.2 | 0 | 0 | 108.3 | C17 Q19 D27 R28 N314 S316 F394 Y399 | C17-M25 HydrophobicContact CB-CE 3.79Å; Q19-M25 HydrophobicContact CB-SD 4.38Å; Q19-M25 HydrophobicContact CG-CB 4.32Å; M25-D27 HydrophobicContact CE-CB 3.65Å; M25-D27 HydrophobicContact SD-CB 4.32Å; M25-R28 PolarHBondContact O-NH1 3.03Å; M25-N314 WeakPolarHBondContact CA-OD1 3.26Å; M25-N314 HydrophobicContact CE-CB 4.25Å; M25-N314 HydrophobicContact SD-CB 3.6Å; M25-S316 WeakPolarHBondContact CE-OG 3.47Å; M25-F394 HydrophobicContact CB-CB 3.87Å; M25-F394 HydrophobicContact CB-CD1 3.84Å; M25-F394 HydrophobicContact CB-CG 3.94Å; M25-F394 HydrophobicContact CG-CB 4.46Å; M25-F394 HydrophobicContact CG-CD1 3.47Å; M25-F394 VanDerWaalsContact CG-CD1 3.47Å; M25-F394 HydrophobicContact CG-CE1 3.83Å; M25-F394 HydrophobicContact CG-CG 4.01Å; M25-Y399 HydrophobicContact CB-CE2 4.26Å; M25-Y399 HydrophobicContact CG-CD2 4.26Å; M25-Y399 HydrophobicContact CG-CE2 3.96Å; M25-Y399 HydrophobicContact SD-CE2 4.38Å | ||
| 26 | E | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | trans | -86.8 | -21.3 | 179.9 | -73.5 | 178.7 | 146.3 | 0 | 0 | 111.9 | Y24 R28 G51 H52 G54 S58 N314 | Y24-E26 HydrophobicContact CD2-CB 4.35Å; Y24-E26 VanDerWaalsContact CD2-CD 3.45Å; Y24-E26 HydrophobicContact CD2-CG 3.41Å; Y24-E26 VanDerWaalsContact CD2-CG 3.41Å; Y24-E26 HydrophobicContact CE2-CG 3.73Å; Y24-E26 WeakPolarHBondContact CE2-OE2 3.42Å; Y24-E26 HydrophobicContact CG-CG 4.19Å; E26-R28 PolarHBondContact O-NH1 2.81Å; E26-G51 VanDerWaalsContact CB-O 3.28Å; E26-G51 WeakPolarHBondContact CB-O 3.48Å; E26-H52 WeakPolarHBondContact OE2-CA 3.35Å; E26-G54 VanDerWaalsContact OE1-CA 3.23Å; E26-G54 WeakPolarHBondContact OE1-CA 3.15Å; E26-G54 PolarHBondContact OE1-N 2.78Å; E26-S58 WeakPolarHBondContact O-CB 3.2Å; E26-S58 PolarHBondContact O-OG 3.46Å; E26-N314 PolarHBondContact N-OD1 2.74Å | ||
| 27 | D | 97.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -59.4 | 144.9 | 174.8 | -67.9 | 10.8 | 0 | 0 | 0 | 112.7 | M25 F49 S253 N314 S316 | M25-D27 HydrophobicContact CE-CB 3.65Å; M25-D27 HydrophobicContact SD-CB 4.32Å; D27-F49 CarbonylContact C-O 3.56Å; D27-F49 WeakPolarHBondContact CA-O 3.39Å; D27-S253 WeakPolarHBondContact OD2-CB 3.46Å; D27-S253 PolarHBondContact OD2-OG 3.17Å; D27-N314 HydrophobicContact CB-CB 4.41Å; D27-N314 VanDerWaalsContact CG-CB 3.5Å; D27-N314 WeakPolarHBondContact OD1-CB 3.32Å; D27-S316 WeakPolarHBondContact CB-OG 3.34Å; D27-S316 WeakPolarHBondContact OD2-CB 3.43Å; D27-S316 PolarHBondContact OD2-OG 2.85Å | ||
| 28 | R | 98.2 | Very high | 92.2 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.2 | 165.6 | -61.1 | -65.6 | 178.6 | -88.8 | 0.2 | 109.8 | M25 E26 F49 S55 E59 Q62 F394 | M25-R28 PolarHBondContact O-NH1 3.03Å; E26-R28 PolarHBondContact O-NH1 2.81Å; R28-F49 HydrophobicContact CB-CB 4.26Å; R28-F49 HydrophobicContact CB-CD2 4.25Å; R28-F49 PolarHBondContact N-O 2.83Å; R28-F49 PolarHBondContact O-N 2.8Å; R28-S55 VanDerWaalsContact NH2-CB 3.29Å; R28-S55 PolarHBondContact NH2-OG 3.45Å; R28-E59 HydrophobicContact CG-CG 4.2Å; R28-E59 IonicContact CZ-OE1 2.69Å; R28-E59 VanDerWaalsContact NE-CG 3.26Å; R28-E59 IonicContact NE-OE1 3.97Å; R28-E59 IonicContact NH2-OE1 2.58Å; R28-E59 PolarHBondContact NH2-OE1 3.35Å; R28-Q62 HydrophobicContact CB-CB 4.01Å; R28-Q62 HydrophobicContact CB-CG 4.22Å; R28-F394 VanDerWaalsContact CZ-CE2 3.41Å |
| 29 | V | 98.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.5 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 109.4 | V15 C17 I31 A47 V48 Q62 I318 P397 | V15-V29 HydrophobicContact CG1-CG2 3.93Å; C17-V29 VanDerWaalsContact SG-CG1 3.57Å; V29-I31 HydrophobicContact CB-CD1 4.38Å; V29-I31 HydrophobicContact CG2-CD1 4.21Å; V29-A47 CarbonylContact C-O 3.47Å; V29-A47 VanDerWaalsContact CA-O 3.25Å; V29-A47 WeakPolarHBondContact CA-O 3.18Å; V29-V48 HydrophobicContact CG1-CG2 4.11Å; V29-Q62 PolarHBondContact O-NE2 3.43Å; V29-I318 HydrophobicContact CB-CD1 4.19Å; V29-I318 HydrophobicContact CG1-CD1 4.46Å; V29-I318 HydrophobicContact CG1-CG1 4.48Å; V29-P397 HydrophobicContact CG2-CB 3.91Å; V29-P397 HydrophobicContact CG2-CG 4.18Å |
| 30 | S | 98.6 | Very high | 91 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.8 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 111.5 | L46 A47 E348 | S30-L46 CarbonylContact O-C 3.56Å; S30-L46 WeakPolarHBondContact O-CA 3.37Å; S30-A47 PolarHBondContact N-O 3.33Å; S30-A47 PolarHBondContact O-N 2.93Å; S30-E348 WeakPolarHBondContact CA-OE1 3.24Å; S30-E348 VanDerWaalsContact CB-OE1 3.24Å; S30-E348 WeakPolarHBondContact CB-OE1 3.47Å; S30-E348 PolarHBondContact OG-OE1 2.85Å |
| 31 | I | 98 | Very high | 90.9 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 117.1 | -178.4 | -56.4 | 88.2 | 0 | 0 | 0 | 107.8 | V13 V15 V29 F45 L46 I318 I347 E348 P397 | V13-I31 HydrophobicContact CG1-CG2 4.17Å; V15-I31 HydrophobicContact CG1-CD1 4.31Å; V15-I31 HydrophobicContact CG2-CD1 3.54Å; V15-I31 HydrophobicContact CG2-CG1 3.89Å; V29-I31 HydrophobicContact CB-CD1 4.38Å; V29-I31 HydrophobicContact CG2-CD1 4.21Å; I31-F45 CarbonylContact C-O 3.56Å; I31-F45 WeakPolarHBondContact CA-O 3.45Å; I31-L46 HydrophobicContact CG1-CD2 4.23Å; I31-L46 HydrophobicContact CG2-CD2 3.9Å; I31-I318 HydrophobicContact CD1-CD1 4.13Å; I31-I318 HydrophobicContact CG1-CD1 4.16Å; I31-I347 HydrophobicContact CB-CG2 4.07Å; I31-I347 HydrophobicContact CG2-CB 4.48Å; I31-I347 HydrophobicContact CG2-CG2 3.62Å; I31-E348 PolarHBondContact N-OE1 3.04Å; I31-E348 VanDerWaalsContact O-CG 3.27Å; I31-E348 WeakPolarHBondContact O-CG 3.38Å; I31-P397 HydrophobicContact CD1-CB 4.36Å |
| 32 | F | 96.9 | Very high | 90.9 | Very high | 64 Ų | 64 | 47 Ų | 47 | 28% | 0.281 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.2 | -178.7 | -174.2 | -88.8 | 0 | 0 | 0 | 111 | E34 Y43 V44 F45 | F32-E34 HydrophobicContact CE1-CB 3.96Å; F32-E34 WeakPolarHBondContact CE1-OE2 3.29Å; F32-Y43 HydrophobicContact CD1-CE2 4.17Å; F32-V44 CarbonylContact O-C 3.58Å; F32-V44 WeakPolarHBondContact O-CA 3.35Å; F32-F45 HydrophobicContact CB-CB 4.29Å; F32-F45 PolarHBondContact N-O 2.74Å; F32-F45 PolarHBondContact O-N 2.86Å |
| 33 | C | 94.8 | Very high | 91.2 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 14% | 0.135 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.8 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | L41 I347 I361 | C33-L41 WeakPolarHBondContact SG-CD1 3.3Å; C33-I347 HydrophobicContact CB-CD1 3.67Å; C33-I361 HydrophobicContact CB-CD1 4.18Å |
| 34 | E | 93.3 | Very high | 91.7 | Very high | 68 Ų | 68 | 41.5 Ų | 41.5 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.6 | 175.3 | -168.7 | 65.6 | -118.3 | 0 | 0 | 110.7 | F32 D42 Y43 | F32-E34 HydrophobicContact CE1-CB 3.96Å; F32-E34 WeakPolarHBondContact CE1-OE2 3.29Å; E34-D42 HydrophobicContact CB-CB 4.48Å; E34-D42 HydrophobicContact CG-CB 4.42Å; E34-D42 PolarHBondContact O-N 2.89Å; E34-Y43 HydrophobicContact CB-CD1 3.67Å; E34-Y43 HydrophobicContact CB-CD2 4.26Å; E34-Y43 HydrophobicContact CB-CE1 3.3Å; E34-Y43 HydrophobicContact CB-CE2 3.94Å; E34-Y43 HydrophobicContact CB-CG 4.12Å; E34-Y43 VanDerWaalsContact CB-CZ 3.42Å; E34-Y43 HydrophobicContact CG-CD1 4.15Å; E34-Y43 HydrophobicContact CG-CE1 3.52Å; E34-Y43 PolarHBondContact N-O 2.79Å; E34-Y43 PolarHBondContact OE2-OH 3.26Å |
| 35 | R | 90 | Very high | 92.2 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 143.9 | 175.6 | -62.2 | -65.8 | -172.3 | -172.7 | -2.7 | 110.2 | G40 R362 A363 R365 | R35-G40 CarbonylContact C-O 3.5Å; R35-G40 WeakPolarHBondContact CA-O 3.3Å; R35-G40 WeakPolarHBondContact CD-O 3.4Å; R35-R362 VanDerWaalsContact CZ-O 3.29Å; R35-R362 PolarHBondContact NH1-O 3.34Å; R35-R362 PolarHBondContact NH2-O 3.43Å; R35-A363 PolarHBondContact NH1-O 2.82Å; R35-R365 PolarHBondContact NH2-O 2.87Å; R35-R365 VanDerWaalsContact NH2-O 3.13Å |
| 36 | D | 86.8 | Confident | 92.5 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 35% | 0.348 | 19% | 0.193 | S | C | . | . | trans | -76.2 | 176.8 | 169.2 | 66.6 | 39.7 | 0 | 0 | 0 | 111.3 | D38 G39 G40 D42 | D36-D38 PolarHBondContact O-N 3.09Å; D36-D38 VanDerWaalsContact OD1-C 3.31Å; D36-D38 VanDerWaalsContact OD1-CA 3.3Å; D36-D38 WeakPolarHBondContact OD1-CA 3.29Å; D36-D38 WeakPolarHBondContact OD1-CB 3.44Å; D36-D38 PolarHBondContact OD1-N 3.35Å; D36-G39 PolarHBondContact O-N 3.45Å; D36-G39 VanDerWaalsContact O-N 3.11Å; D36-G39 PolarHBondContact OD1-N 3.38Å; D36-G40 PolarHBondContact N-O 2.79Å; D36-G40 WeakPolarHBondContact OD1-CA 3.2Å; D36-G40 PolarHBondContact OD1-N 2.8Å; D36-G40 WeakPolarHBondContact OD2-CA 3.48Å; D36-D42 HydrophobicContact CB-CB 4.27Å | ||
| 37 | K | 84.4 | Confident | 92.7 | Very high | 214 Ų | 214 | 36.4 Ų | 36.4 | 93% | 0.93 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.6 | -179.1 | -65.2 | -179.4 | -178.7 | 176.3 | 0 | 113.6 | G39 | K37-G39 VanDerWaalsContact C-N 3.31Š|
| 38 | D | 82.1 | Confident | 92.8 | Very high | 156 Ų | 156 | 36.3 Ų | 36.3 | 83% | 0.834 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 4.9 | -179.9 | -58.9 | -41.2 | 0 | 0 | 0 | 111.3 | D36 G40 | D36-D38 PolarHBondContact O-N 3.09Å; D36-D38 VanDerWaalsContact OD1-C 3.31Å; D36-D38 VanDerWaalsContact OD1-CA 3.3Å; D36-D38 WeakPolarHBondContact OD1-CA 3.29Å; D36-D38 WeakPolarHBondContact OD1-CB 3.44Å; D36-D38 PolarHBondContact OD1-N 3.35Å; D38-G40 VanDerWaalsContact C-N 3.26Å; D38-G40 PolarHBondContact O-N 3.33Å |
| 39 | G | 78.9 | Confident | 92.8 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 32% | 0.32 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 81.7 | 1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D36 K37 A363 | D36-G39 PolarHBondContact O-N 3.45Å; D36-G39 VanDerWaalsContact O-N 3.11Å; D36-G39 PolarHBondContact OD1-N 3.38Å; K37-G39 VanDerWaalsContact C-N 3.31Å; G39-A363 VanDerWaalsContact O-O 3.08Å |
| 40 | G | 83.1 | Confident | 92.8 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 23% | 0.227 | 19% | 0.19 | C | C | . | . | trans | -69.4 | 165.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R35 D36 D38 D42 | R35-G40 CarbonylContact C-O 3.5Å; R35-G40 WeakPolarHBondContact CA-O 3.3Å; R35-G40 WeakPolarHBondContact CD-O 3.4Å; D36-G40 PolarHBondContact N-O 2.79Å; D36-G40 WeakPolarHBondContact OD1-CA 3.2Å; D36-G40 PolarHBondContact OD1-N 2.8Å; D36-G40 WeakPolarHBondContact OD2-CA 3.48Å; D38-G40 VanDerWaalsContact C-N 3.26Å; D38-G40 PolarHBondContact O-N 3.33Å; G40-D42 PolarHBondContact O-N 3.13Å | ||
| 41 | L | 88.1 | Confident | 92.8 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 110.4 | 175.7 | -175.8 | 65.4 | 0 | 0 | 0 | 109.8 | L11 C33 V44 I361 | L11-L41 HydrophobicContact CD1-CD2 4.41Å; C33-L41 WeakPolarHBondContact SG-CD1 3.3Å; L41-V44 HydrophobicContact CD1-CG2 3.79Å; L41-V44 HydrophobicContact CD2-CG2 4.05Å; L41-V44 HydrophobicContact CG-CG2 4.33Å; L41-I361 HydrophobicContact CD1-CG2 3.92Å; L41-I361 HydrophobicContact CD2-CG2 4.28Å |
| 42 | D | 90.6 | Very high | 92.7 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | -61.5 | 175.2 | -176 | 11.5 | 0 | 0 | 0 | 109.7 | E34 D36 G40 R126 | E34-D42 HydrophobicContact CB-CB 4.48Å; E34-D42 HydrophobicContact CG-CB 4.42Å; E34-D42 PolarHBondContact O-N 2.89Å; D36-D42 HydrophobicContact CB-CB 4.27Å; G40-D42 PolarHBondContact O-N 3.13Å; D42-R126 VanDerWaalsContact O-CG 3.3Å; D42-R126 WeakPolarHBondContact O-CG 3.22Å; D42-R126 IonicContact OD1-NE 2.76Å; D42-R126 PolarHBondContact OD1-NE 2.77Å; D42-R126 VanDerWaalsContact OD1-NE 3.13Å |
| 43 | Y | 94.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156.6 | 175.2 | 68.9 | -94 | 0 | 0 | 0 | 113.5 | F32 E34 F45 R66 V70 F75 F124 I125 | F32-Y43 HydrophobicContact CD1-CE2 4.17Å; E34-Y43 HydrophobicContact CB-CD1 3.67Å; E34-Y43 HydrophobicContact CB-CD2 4.26Å; E34-Y43 HydrophobicContact CB-CE1 3.3Å; E34-Y43 HydrophobicContact CB-CE2 3.94Å; E34-Y43 HydrophobicContact CB-CG 4.12Å; E34-Y43 VanDerWaalsContact CB-CZ 3.42Å; E34-Y43 HydrophobicContact CG-CD1 4.15Å; E34-Y43 HydrophobicContact CG-CE1 3.52Å; E34-Y43 PolarHBondContact N-O 2.79Å; E34-Y43 PolarHBondContact OE2-OH 3.26Å; Y43-F45 HydrophobicContact CD2-CB 4.37Å; Y43-F45 HydrophobicContact CE2-CB 4.25Å; Y43-R66 PolarHBondContact OH-NH1 2.87Å; Y43-R66 VanDerWaalsContact OH-NH1 3.08Å; Y43-V70 HydrophobicContact CE1-CG1 4.27Å; Y43-V70 HydrophobicContact CE2-CG1 4.25Å; Y43-F75 AromaticContact CD1-CE1 3.82Å; Y43-F75 HydrophobicContact CD1-CE1 3.82Å; Y43-F75 HydrophobicContact CD1-CZ 4.13Å; Y43-F75 AromaticContact CE1-CE1 3.95Å; Y43-F75 HydrophobicContact CE1-CE1 3.95Å; Y43-F75 HydrophobicContact CE1-CZ 4.48Å; Y43-F75 HydrophobicContact CG-CE1 4.33Å; Y43-F75 HydrophobicContact CG-CZ 4.18Å; Y43-F124 AromaticContact CD2-CD1 3.68Å; Y43-F124 HydrophobicContact CD2-CD1 3.68Å; Y43-F124 AromaticContact CD2-CE1 3.94Å; Y43-F124 HydrophobicContact CD2-CE1 3.94Å; Y43-F124 HydrophobicContact CE2-CD1 4.17Å; Y43-F124 AromaticContact CE2-CE1 3.94Å; Y43-F124 HydrophobicContact CE2-CE1 3.94Å; Y43-F124 HydrophobicContact CG-CD1 4.27Å; Y43-I125 CarbonylContact C-O 3.53Å; Y43-I125 VanDerWaalsContact CA-O 3.3Å; Y43-I125 WeakPolarHBondContact CA-O 3.31Å |
| 44 | V | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126 | 164.8 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | L11 F32 L41 L46 F124 I125 I361 | L11-V44 HydrophobicContact CD1-CB 4.32Å; L11-V44 HydrophobicContact CD1-CG2 3.81Å; F32-V44 CarbonylContact O-C 3.58Å; F32-V44 WeakPolarHBondContact O-CA 3.35Å; L41-V44 HydrophobicContact CD1-CG2 3.79Å; L41-V44 HydrophobicContact CD2-CG2 4.05Å; L41-V44 HydrophobicContact CG-CG2 4.33Å; V44-L46 HydrophobicContact CG1-CD2 4.08Å; V44-L46 HydrophobicContact CG1-CG 4.12Å; V44-F124 CarbonylContact O-C 3.57Å; V44-F124 WeakPolarHBondContact O-CA 3.39Å; V44-I125 HydrophobicContact CB-CB 4.38Å; V44-I125 PolarHBondContact N-O 3.46Å; V44-I125 PolarHBondContact O-N 3.49Å; V44-I361 HydrophobicContact CG1-CD1 4.01Å; V44-I361 HydrophobicContact CG2-CD1 3.87Å; V44-I361 HydrophobicContact CG2-CG2 4.49Å |
| 45 | F | 98.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.5 | 174.2 | 176.2 | -103.9 | 0 | 0 | 0 | 110.3 | I31 F32 Y43 A47 R66 V122 A123 F124 | I31-F45 CarbonylContact C-O 3.56Å; I31-F45 WeakPolarHBondContact CA-O 3.45Å; F32-F45 HydrophobicContact CB-CB 4.29Å; F32-F45 PolarHBondContact N-O 2.74Å; F32-F45 PolarHBondContact O-N 2.86Å; Y43-F45 HydrophobicContact CD2-CB 4.37Å; Y43-F45 HydrophobicContact CE2-CB 4.25Å; F45-A47 HydrophobicContact CE1-CB 3.7Å; F45-A47 HydrophobicContact CE2-CB 4.39Å; F45-A47 HydrophobicContact CZ-CB 3.58Å; F45-R66 HydrophobicContact CB-CG 4.18Å; F45-R66 HydrophobicContact CD1-CB 3.94Å; F45-R66 HydrophobicContact CD1-CG 3.87Å; F45-R66 HydrophobicContact CD2-CB 4.4Å; F45-R66 HydrophobicContact CD2-CG 4.1Å; F45-R66 HydrophobicContact CE1-CB 3.74Å; F45-R66 HydrophobicContact CE1-CG 4.21Å; F45-R66 HydrophobicContact CE2-CB 4.22Å; F45-R66 HydrophobicContact CE2-CG 4.41Å; F45-R66 HydrophobicContact CG-CB 4.23Å; F45-R66 HydrophobicContact CG-CG 3.78Å; F45-R66 HydrophobicContact CZ-CB 3.88Å; F45-R66 HydrophobicContact CZ-CG 4.45Å; F45-V122 HydrophobicContact CE2-CB 3.85Å; F45-V122 HydrophobicContact CE2-CG1 4.19Å; F45-V122 HydrophobicContact CE2-CG2 4.4Å; F45-V122 HydrophobicContact CZ-CB 4.28Å; F45-V122 HydrophobicContact CZ-CG1 4.15Å; F45-A123 WeakPolarHBondContact CA-O 3.47Å; F45-F124 HydrophobicContact CB-CD1 4.18Å; F45-F124 HydrophobicContact CB-CE1 3.99Å; F45-F124 AromaticContact CD2-CD1 3.97Å; F45-F124 HydrophobicContact CD2-CD1 3.97Å; F45-F124 HydrophobicContact CD2-CD2 4.01Å; F45-F124 AromaticContact CD2-CE1 3.48Å; F45-F124 HydrophobicContact CD2-CE1 3.48Å; F45-F124 VanDerWaalsContact CD2-CE1 3.48Å; F45-F124 AromaticContact CD2-CE2 3.51Å; F45-F124 HydrophobicContact CD2-CE2 3.51Å; F45-F124 HydrophobicContact CD2-CG 4.23Å; F45-F124 AromaticContact CD2-CZ 3.24Å; F45-F124 HydrophobicContact CD2-CZ 3.24Å; F45-F124 HydrophobicContact CE2-CD2 4.43Å; F45-F124 HydrophobicContact CE2-CE1 4.33Å; F45-F124 AromaticContact CE2-CE2 3.67Å; F45-F124 HydrophobicContact CE2-CE2 3.67Å; F45-F124 AromaticContact CE2-CZ 3.63Å; F45-F124 HydrophobicContact CE2-CZ 3.63Å; F45-F124 HydrophobicContact CG-CE1 4.12Å; F45-F124 HydrophobicContact CG-CZ 4.23Å |
| 46 | L | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.2 | 179.7 | -54.5 | 155.7 | 0 | 0 | 0 | 107.7 | V13 S30 I31 V44 V122 A123 I125 L249 I251 I318 V320 | V13-L46 HydrophobicContact CG1-CD2 4.13Å; S30-L46 CarbonylContact O-C 3.56Å; S30-L46 WeakPolarHBondContact O-CA 3.37Å; I31-L46 HydrophobicContact CG1-CD2 4.23Å; I31-L46 HydrophobicContact CG2-CD2 3.9Å; V44-L46 HydrophobicContact CG1-CD2 4.08Å; V44-L46 HydrophobicContact CG1-CG 4.12Å; L46-V122 CarbonylContact O-C 3.59Å; L46-V122 WeakPolarHBondContact O-CA 3.06Å; L46-A123 PolarHBondContact N-O 2.76Å; L46-A123 PolarHBondContact O-N 2.87Å; L46-I125 HydrophobicContact CD1-CD1 3.69Å; L46-I125 HydrophobicContact CD1-CG1 4.34Å; L46-L249 HydrophobicContact CD1-CD2 4.37Å; L46-I251 HydrophobicContact CB-CD1 3.63Å; L46-I318 HydrophobicContact CD2-CG2 3.94Å; L46-V320 HydrophobicContact CD1-CG2 3.47Å; L46-V320 VanDerWaalsContact CD1-CG2 3.47Å; L46-V320 HydrophobicContact CD2-CG2 4.03Å; L46-V320 HydrophobicContact CG-CG2 4.4Å |
| 47 | A | 98.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 142.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V29 S30 F45 F49 S121 V122 I318 | V29-A47 CarbonylContact C-O 3.47Å; V29-A47 VanDerWaalsContact CA-O 3.25Å; V29-A47 WeakPolarHBondContact CA-O 3.18Å; S30-A47 PolarHBondContact N-O 3.33Å; S30-A47 PolarHBondContact O-N 2.93Å; F45-A47 HydrophobicContact CE1-CB 3.7Å; F45-A47 HydrophobicContact CE2-CB 4.39Å; F45-A47 HydrophobicContact CZ-CB 3.58Å; A47-F49 HydrophobicContact CB-CD2 4.36Å; A47-F49 HydrophobicContact CB-CE1 4.21Å; A47-F49 HydrophobicContact CB-CE2 3.53Å; A47-F49 HydrophobicContact CB-CZ 3.45Å; A47-F49 VanDerWaalsContact CB-CZ 3.45Å; A47-S121 WeakPolarHBondContact CA-O 3.25Å; A47-V122 HydrophobicContact CB-CB 4.19Å; A47-V122 HydrophobicContact CB-CG1 3.7Å; A47-I318 VanDerWaalsContact O-CD1 3.3Å; A47-I318 WeakPolarHBondContact O-CD1 3.12Å |
| 48 | V | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.1 | 164.7 | 175 | 0 | 0 | 0 | 0 | 108.2 | V29 S121 I251 I318 | V29-V48 HydrophobicContact CG1-CG2 4.11Å; V48-S121 PolarHBondContact N-O 2.89Å; V48-S121 VanDerWaalsContact N-O 3.09Å; V48-S121 PolarHBondContact O-N 2.94Å; V48-I251 HydrophobicContact CB-CG2 3.77Å; V48-I251 HydrophobicContact CG2-CB 4.02Å; V48-I251 HydrophobicContact CG2-CG2 3.47Å; V48-I251 VanDerWaalsContact CG2-CG2 3.47Å; V48-I318 HydrophobicContact CG2-CD1 3.88Å; V48-I318 HydrophobicContact CG2-CG1 4.03Å |
| 49 | F | 98.9 | Very high | 95 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 95.6 | 178.2 | -54.5 | -71.9 | 0 | 0 | 0 | 108.1 | D27 R28 A47 G51 A61 Q62 L65 T118 T119 A120 V122 | D27-F49 CarbonylContact C-O 3.56Å; D27-F49 WeakPolarHBondContact CA-O 3.39Å; R28-F49 HydrophobicContact CB-CB 4.26Å; R28-F49 HydrophobicContact CB-CD2 4.25Å; R28-F49 PolarHBondContact N-O 2.83Å; R28-F49 PolarHBondContact O-N 2.8Å; A47-F49 HydrophobicContact CB-CD2 4.36Å; A47-F49 HydrophobicContact CB-CE1 4.21Å; A47-F49 HydrophobicContact CB-CE2 3.53Å; A47-F49 HydrophobicContact CB-CZ 3.45Å; A47-F49 VanDerWaalsContact CB-CZ 3.45Å; F49-G51 PolarHBondContact O-N 3.27Å; F49-A61 HydrophobicContact CD1-CB 3.59Å; F49-A61 HydrophobicContact CE1-CB 3.67Å; F49-A61 HydrophobicContact CG-CB 4.08Å; F49-A61 HydrophobicContact CZ-CB 4.21Å; F49-Q62 HydrophobicContact CD2-CB 4.05Å; F49-Q62 HydrophobicContact CE2-CB 4.06Å; F49-L65 HydrophobicContact CE1-CD2 3.62Å; F49-L65 HydrophobicContact CZ-CB 4.45Å; F49-L65 HydrophobicContact CZ-CD2 3.99Å; F49-T118 WeakPolarHBondContact CB-OG1 3.18Å; F49-T119 WeakPolarHBondContact CA-O 3.34Å; F49-A120 HydrophobicContact CD1-CB 3.67Å; F49-A120 HydrophobicContact CE1-CB 3.69Å; F49-V122 HydrophobicContact CE1-CG1 4.22Å; F49-V122 HydrophobicContact CZ-CG1 4.37Å |
| 50 | D | 98.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 16 Ų | 16 | 8% | 0.08 | 10% | 0.103 | C | C | . | . | trans | -79.4 | 112.9 | 176.5 | -176.7 | -23.9 | 0 | 0 | 0 | 107.6 | T118 T119 S138 D254 | D50-T118 CarbonylContact O-C 3.56Å; D50-T118 WeakPolarHBondContact O-CA 3.4Å; D50-T118 WeakPolarHBondContact O-CB 3.44Å; D50-T118 PolarHBondContact O-OG1 3.42Å; D50-T119 HydrophobicContact CB-CG2 3.83Å; D50-T119 VanDerWaalsContact CB-OG1 3.25Å; D50-T119 WeakPolarHBondContact CB-OG1 3.37Å; D50-T119 PolarHBondContact N-OG1 3.21Å; D50-T119 PolarHBondContact O-N 3.14Å; D50-S138 VanDerWaalsContact CB-OG 3.3Å; D50-S138 WeakPolarHBondContact CB-OG 3.13Å; D50-D254 PolarHBondContact OD2-N 3.1Å | ||
| 51 | G | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 15 Ų | 15 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 148.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E26 F49 | E26-G51 VanDerWaalsContact CB-O 3.28Å; E26-G51 WeakPolarHBondContact CB-O 3.48Å; F49-G51 PolarHBondContact O-N 3.27Å |
| 52 | H | 96.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 15.3 Ų | 15.3 | 16% | 0.157 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149 | 174.2 | 57.8 | -101.8 | 0 | 0 | 0 | 112.5 | E26 G54 S116 G117 L210 D218 | E26-H52 WeakPolarHBondContact OE2-CA 3.35Å; H52-G54 VanDerWaalsContact C-N 3.29Å; H52-G54 PolarHBondContact O-N 2.82Å; H52-S116 VanDerWaalsContact O-CA 3.31Å; H52-S116 WeakPolarHBondContact O-CA 3.37Å; H52-G117 VanDerWaalsContact CE1-C 3.41Å; H52-G117 PolarHBondContact N-O 3.13Å; H52-G117 WeakPolarHBondContact NE2-CA 3.41Å; H52-G117 PolarHBondContact O-N 2.89Å; H52-L210 VanDerWaalsContact NE2-CD1 3.27Å; H52-L210 WeakPolarHBondContact NE2-CD1 3.24Å; H52-D218 IonicContact CD2-OD1 3.51Å; H52-D218 IonicContact CE1-OD2 3.36Å; H52-D218 PolarHBondContact CE1-OD2 3Å; H52-D218 IonicContact NE2-OD1 3.19Å; H52-D218 PolarHBondContact NE2-OD1 3.3Å; H52-D218 IonicContact NE2-OD2 2.79Å; H52-D218 PolarHBondContact NE2-OD2 3.09Å |
| 53 | G | 94.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 20.2 Ų | 20.2 | 36% | 0.361 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 70 | 26.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | S116 | G53-S116 WeakPolarHBondContact O-CA 3.42Å; G53-S116 PolarHBondContact O-N 3.41Å |
| 54 | G | 93.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 19% | 0.186 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 118.3 | 150.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E26 H52 D56 S116 | E26-G54 VanDerWaalsContact OE1-CA 3.23Å; E26-G54 WeakPolarHBondContact OE1-CA 3.15Å; E26-G54 PolarHBondContact OE1-N 2.78Å; H52-G54 VanDerWaalsContact C-N 3.29Å; H52-G54 PolarHBondContact O-N 2.82Å; G54-D56 VanDerWaalsContact C-N 3.34Å; G54-S116 PolarHBondContact O-OG 3.42Å |
| 55 | S | 95.3 | Very high | 97.9 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 21% | 0.21 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -86.7 | 1.5 | 176.2 | 61 | 0 | 0 | 0 | 0 | 114.2 | R28 A57 S58 E59 | R28-S55 VanDerWaalsContact NH2-CB 3.29Å; R28-S55 PolarHBondContact NH2-OG 3.45Å; S55-A57 VanDerWaalsContact C-N 3.35Å; S55-A57 PolarHBondContact O-N 3.5Å; S55-S58 PolarHBondContact O-N 3.36Å; S55-S58 PolarHBondContact O-OG 2.79Å; S55-E59 VanDerWaalsContact O-CB 3.29Å; S55-E59 WeakPolarHBondContact O-CB 3.3Å; S55-E59 VanDerWaalsContact O-CG 3.29Å; S55-E59 WeakPolarHBondContact O-CG 3.02Å; S55-E59 PolarHBondContact O-N 2.91Å; S55-E59 PolarHBondContact OG-OE1 2.95Å |
| 56 | D | 97.8 | Very high | 97.9 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | -174.4 | -55.2 | -85.9 | 0 | 0 | 0 | 112.2 | G54 M60 W105 P106 S116 | G54-D56 VanDerWaalsContact C-N 3.34Å; D56-M60 VanDerWaalsContact O-CB 3.27Å; D56-M60 WeakPolarHBondContact O-CB 3.39Å; D56-M60 PolarHBondContact O-N 3.17Å; D56-W105 HydrophobicContact CB-CB 4.42Å; D56-W105 HydrophobicContact CB-CD2 3.58Å; D56-W105 HydrophobicContact CB-CE3 4.07Å; D56-W105 HydrophobicContact CB-CG 3.74Å; D56-W105 HydrophobicContact CB-CZ2 4.17Å; D56-P106 WeakPolarHBondContact OD1-CD 3.05Å; D56-S116 PolarHBondContact N-OG 2.91Å |
| 57 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S55 E59 M60 A61 M98 W105 S116 T118 | S55-A57 VanDerWaalsContact C-N 3.35Å; S55-A57 PolarHBondContact O-N 3.5Å; A57-E59 PolarHBondContact O-N 3.22Å; A57-M60 PolarHBondContact O-N 3.11Å; A57-A61 WeakPolarHBondContact O-CB 3.47Å; A57-A61 PolarHBondContact O-N 3.03Å; A57-M98 HydrophobicContact CB-CE 4.19Å; A57-M98 WeakPolarHBondContact O-CE 3.11Å; A57-W105 HydrophobicContact CB-CH2 3.98Å; A57-W105 HydrophobicContact CB-CZ3 4.3Å; A57-S116 WeakPolarHBondContact CB-OG 3.01Å; A57-S116 PolarHBondContact N-OG 2.78Å; A57-T118 HydrophobicContact CB-CG2 4.08Å |
| 58 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | 177.9 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | E26 S55 Q62 T118 | E26-S58 WeakPolarHBondContact O-CB 3.2Å; E26-S58 PolarHBondContact O-OG 3.46Å; S55-S58 PolarHBondContact O-N 3.36Å; S55-S58 PolarHBondContact O-OG 2.79Å; S58-Q62 VanDerWaalsContact O-CB 3.32Å; S58-Q62 WeakPolarHBondContact O-CB 3.43Å; S58-Q62 PolarHBondContact O-N 3.19Å; S58-T118 WeakPolarHBondContact CB-OG1 3.44Å |
| 59 | E | 97.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 30.2 Ų | 30.2 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 173.6 | -77.1 | -178.4 | -153.4 | 0 | 0 | 112.9 | R28 S55 A57 Q62 K63 | R28-E59 HydrophobicContact CG-CG 4.2Å; R28-E59 IonicContact CZ-OE1 2.69Å; R28-E59 VanDerWaalsContact NE-CG 3.26Å; R28-E59 IonicContact NE-OE1 3.97Å; R28-E59 IonicContact NH2-OE1 2.58Å; R28-E59 PolarHBondContact NH2-OE1 3.35Å; S55-E59 VanDerWaalsContact O-CB 3.29Å; S55-E59 WeakPolarHBondContact O-CB 3.3Å; S55-E59 VanDerWaalsContact O-CG 3.29Å; S55-E59 WeakPolarHBondContact O-CG 3.02Å; S55-E59 PolarHBondContact O-N 2.91Å; S55-E59 PolarHBondContact OG-OE1 2.95Å; A57-E59 PolarHBondContact O-N 3.22Å; E59-Q62 PolarHBondContact O-N 2.65Å; E59-K63 WeakPolarHBondContact O-CB 3.28Å; E59-K63 WeakPolarHBondContact O-CD 3.43Å; E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 2.68Å; E59-K63 IonicContact OE2-NZ 2.76Å; E59-K63 PolarHBondContact OE2-NZ 2.8Å |
| 60 | M | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.6 | -40 | 178.2 | -172.1 | 164.9 | -168.5 | 0 | 0 | 111.2 | D56 A57 K63 R64 Q97 M98 E101 W105 | D56-M60 VanDerWaalsContact O-CB 3.27Å; D56-M60 WeakPolarHBondContact O-CB 3.39Å; D56-M60 PolarHBondContact O-N 3.17Å; A57-M60 PolarHBondContact O-N 3.11Å; M60-K63 PolarHBondContact O-N 3.34Å; M60-R64 HydrophobicContact CE-CG 4.48Å; M60-R64 HydrophobicContact CG-CG 4.12Å; M60-R64 VanDerWaalsContact O-CB 3.29Å; M60-R64 WeakPolarHBondContact O-CB 3.33Å; M60-R64 WeakPolarHBondContact O-CG 3.42Å; M60-R64 PolarHBondContact O-N 2.87Å; M60-Q97 VanDerWaalsContact CE-C 3.42Å; M60-Q97 HydrophobicContact CE-CB 3.54Å; M60-M98 HydrophobicContact CB-CE 4.05Å; M60-M98 HydrophobicContact CB-CG 4.38Å; M60-M98 HydrophobicContact CE-CG 4.41Å; M60-M98 HydrophobicContact CG-CE 4.36Å; M60-M98 HydrophobicContact CG-CG 4.01Å; M60-M98 HydrophobicContact SD-CB 4.07Å; M60-M98 HydrophobicContact SD-CG 3.44Å; M60-M98 WeakPolarHBondContact SD-CG 3.45Å; M60-E101 HydrophobicContact CE-CB 4.42Å; M60-E101 HydrophobicContact CE-CG 3.98Å; M60-E101 VanDerWaalsContact CE-OE2 3.29Å; M60-E101 WeakPolarHBondContact CE-OE2 3.27Å; M60-W105 HydrophobicContact CB-CZ2 4.43Å; M60-W105 HydrophobicContact SD-CZ2 3.83Å |
| 61 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F49 A57 K63 R64 L65 M98 T118 L216 | F49-A61 HydrophobicContact CD1-CB 3.59Å; F49-A61 HydrophobicContact CE1-CB 3.67Å; F49-A61 HydrophobicContact CG-CB 4.08Å; F49-A61 HydrophobicContact CZ-CB 4.21Å; A57-A61 WeakPolarHBondContact O-CB 3.47Å; A57-A61 PolarHBondContact O-N 3.03Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 3.13Å; A61-R64 PolarHBondContact O-N 3.43Å; A61-L65 WeakPolarHBondContact O-CB 3.3Å; A61-L65 PolarHBondContact O-N 3.06Å; A61-M98 HydrophobicContact CB-CE 4.01Å; A61-T118 HydrophobicContact CB-CG2 4.04Å; A61-L216 HydrophobicContact CB-CD1 4.22Å |
| 62 | Q | 98.4 | Very high | 97.7 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.2 | -43.5 | 174.6 | -170.6 | -167.7 | 34.3 | 0 | 0 | 112.1 | R28 V29 F49 S58 E59 | R28-Q62 HydrophobicContact CB-CB 4.01Å; R28-Q62 HydrophobicContact CB-CG 4.22Å; V29-Q62 PolarHBondContact O-NE2 3.43Å; F49-Q62 HydrophobicContact CD2-CB 4.05Å; F49-Q62 HydrophobicContact CE2-CB 4.06Å; S58-Q62 VanDerWaalsContact O-CB 3.32Å; S58-Q62 WeakPolarHBondContact O-CB 3.43Å; S58-Q62 PolarHBondContact O-N 3.19Å; E59-Q62 PolarHBondContact O-N 2.65Å |
| 63 | K | 97.9 | Very high | 97.7 | Very high | 132 Ų | 132 | 42.8 Ų | 42.8 | 57% | 0.574 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -77 | -30.7 | -177.1 | -71.7 | 166.4 | -172.1 | 162.1 | 0 | 114.2 | E59 M60 A61 | E59-K63 WeakPolarHBondContact O-CB 3.28Å; E59-K63 WeakPolarHBondContact O-CD 3.43Å; E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 2.68Å; E59-K63 IonicContact OE2-NZ 2.76Å; E59-K63 PolarHBondContact OE2-NZ 2.8Å; M60-K63 PolarHBondContact O-N 3.34Å; A61-K63 VanDerWaalsContact C-N 3.3Å; A61-K63 PolarHBondContact O-N 3.13Å |
| 64 | R | 98.7 | Very high | 97.9 | Very high | 125 Ų | 125 | 41.9 Ų | 41.9 | 47% | 0.472 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -117.1 | -34.1 | -165.7 | -60.4 | -61.2 | -174.2 | -171.5 | 0.7 | 114.7 | M60 A61 R66 A67 N68 T94 | M60-R64 HydrophobicContact CE-CG 4.48Å; M60-R64 HydrophobicContact CG-CG 4.12Å; M60-R64 VanDerWaalsContact O-CB 3.29Å; M60-R64 WeakPolarHBondContact O-CB 3.33Å; M60-R64 WeakPolarHBondContact O-CG 3.42Å; M60-R64 PolarHBondContact O-N 2.87Å; A61-R64 PolarHBondContact O-N 3.43Å; R64-R66 PolarHBondContact O-N 2.9Å; R64-A67 PolarHBondContact O-N 3.33Å; R64-A67 VanDerWaalsContact O-N 3.11Å; R64-N68 PolarHBondContact O-N 2.77Å; R64-N68 PolarHBondContact O-ND2 2.88Å; R64-T94 HydrophobicContact CB-CG2 4.46Å |
| 65 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -49 | -166 | -178.3 | 59.4 | 0 | 0 | 0 | 112.4 | F49 A61 A67 N68 I69 G90 F91 T94 A120 V122 L216 | F49-L65 HydrophobicContact CE1-CD2 3.62Å; F49-L65 HydrophobicContact CZ-CB 4.45Å; F49-L65 HydrophobicContact CZ-CD2 3.99Å; A61-L65 WeakPolarHBondContact O-CB 3.3Å; A61-L65 PolarHBondContact O-N 3.06Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.14Å; L65-N68 PolarHBondContact O-N 3.16Å; L65-I69 HydrophobicContact CD1-CD1 3.97Å; L65-I69 HydrophobicContact CD1-CG1 4.25Å; L65-I69 HydrophobicContact CG-CD1 3.94Å; L65-I69 VanDerWaalsContact O-CG1 3.31Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 2.97Å; L65-G90 WeakPolarHBondContact CD1-O 3.33Å; L65-F91 HydrophobicContact CD1-CB 4.45Å; L65-F91 HydrophobicContact CD1-CD2 3.66Å; L65-F91 HydrophobicContact CD1-CE2 4.08Å; L65-F91 HydrophobicContact CD1-CG 4.03Å; L65-F91 HydrophobicContact CD2-CD2 4.26Å; L65-F91 HydrophobicContact CD2-CE1 4.43Å; L65-F91 HydrophobicContact CD2-CE2 3.87Å; L65-F91 HydrophobicContact CD2-CZ 3.96Å; L65-F91 HydrophobicContact CG-CD2 4.47Å; L65-F91 HydrophobicContact CG-CE2 4.41Å; L65-T94 HydrophobicContact CB-CG2 4.47Å; L65-T94 VanDerWaalsContact CD1-OG1 3.32Å; L65-T94 WeakPolarHBondContact CD1-OG1 3.34Å; L65-A120 HydrophobicContact CD2-CB 4.27Å; L65-V122 HydrophobicContact CD2-CG1 3.7Å; L65-L216 HydrophobicContact CD2-CD1 4.26Å |
| 66 | R | 98.7 | Very high | 97.9 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.4 | -49.8 | 176.6 | -174 | -175.3 | 64.8 | 86.2 | -4.8 | 111.4 | Y43 F45 R64 N68 I69 V70 F124 | Y43-R66 PolarHBondContact OH-NH1 2.87Å; Y43-R66 VanDerWaalsContact OH-NH1 3.08Å; F45-R66 HydrophobicContact CB-CG 4.18Å; F45-R66 HydrophobicContact CD1-CB 3.94Å; F45-R66 HydrophobicContact CD1-CG 3.87Å; F45-R66 HydrophobicContact CD2-CB 4.4Å; F45-R66 HydrophobicContact CD2-CG 4.1Å; F45-R66 HydrophobicContact CE1-CB 3.74Å; F45-R66 HydrophobicContact CE1-CG 4.21Å; F45-R66 HydrophobicContact CE2-CB 4.22Å; F45-R66 HydrophobicContact CE2-CG 4.41Å; F45-R66 HydrophobicContact CG-CB 4.23Å; F45-R66 HydrophobicContact CG-CG 3.78Å; F45-R66 HydrophobicContact CZ-CB 3.88Å; F45-R66 HydrophobicContact CZ-CG 4.45Å; R64-R66 PolarHBondContact O-N 2.9Å; R66-N68 VanDerWaalsContact C-N 3.34Å; R66-N68 PolarHBondContact O-N 3.43Å; R66-I69 PolarHBondContact O-N 3.22Å; R66-V70 HydrophobicContact CG-CG1 4.3Å; R66-V70 WeakPolarHBondContact O-CG1 3.47Å; R66-V70 WeakPolarHBondContact O-CG2 3.25Å; R66-V70 PolarHBondContact O-N 2.75Å; R66-F124 HydrophobicContact CG-CE1 4.41Å; R66-F124 HydrophobicContact CG-CZ 4.41Å |
| 67 | A | 98.6 | Very high | 97.7 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R64 L65 I69 Q71 | R64-A67 PolarHBondContact O-N 3.33Å; R64-A67 VanDerWaalsContact O-N 3.11Å; L65-A67 VanDerWaalsContact C-N 3.33Å; L65-A67 PolarHBondContact O-N 3.14Å; A67-I69 VanDerWaalsContact C-N 3.33Å; A67-I69 PolarHBondContact O-N 3.09Å; A67-Q71 VanDerWaalsContact O-CB 3.26Å; A67-Q71 WeakPolarHBondContact O-CB 3.33Å; A67-Q71 WeakPolarHBondContact O-CG 3.33Å; A67-Q71 PolarHBondContact O-N 2.83Å |
| 68 | N | 98.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 178.1 | -67.6 | -26.5 | 0 | 0 | 0 | 112.4 | R64 L65 R66 I93 T94 Q97 | R64-N68 PolarHBondContact O-N 2.77Å; R64-N68 PolarHBondContact O-ND2 2.88Å; L65-N68 PolarHBondContact O-N 3.16Å; R66-N68 VanDerWaalsContact C-N 3.34Å; R66-N68 PolarHBondContact O-N 3.43Å; N68-I93 HydrophobicContact CB-CB 4.32Å; N68-I93 HydrophobicContact CB-CG2 4.05Å; N68-T94 PolarHBondContact ND2-OG1 2.7Å; N68-Q97 PolarHBondContact ND2-OE1 3.19Å; N68-Q97 PolarHBondContact OD1-NE2 2.76Å |
| 69 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -53.3 | 175.9 | -65.6 | 171 | 0 | 0 | 0 | 110.7 | L65 R66 A67 Q71 N72 F75 I87 F91 F124 | L65-I69 HydrophobicContact CD1-CD1 3.97Å; L65-I69 HydrophobicContact CD1-CG1 4.25Å; L65-I69 HydrophobicContact CG-CD1 3.94Å; L65-I69 VanDerWaalsContact O-CG1 3.31Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 2.97Å; R66-I69 PolarHBondContact O-N 3.22Å; A67-I69 VanDerWaalsContact C-N 3.33Å; A67-I69 PolarHBondContact O-N 3.09Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.31Å; I69-N72 VanDerWaalsContact O-CB 3.31Å; I69-N72 WeakPolarHBondContact O-CB 3.37Å; I69-N72 PolarHBondContact O-N 3.18Å; I69-N72 VanDerWaalsContact O-N 3.12Å; I69-F75 HydrophobicContact CG2-CD2 3.7Å; I69-F75 HydrophobicContact CG2-CE2 4.09Å; I69-F75 HydrophobicContact CG2-CG 4.4Å; I69-I87 HydrophobicContact CD1-CG1 4.49Å; I69-I87 HydrophobicContact CD1-CG2 4.26Å; I69-I87 HydrophobicContact CG2-CB 4.47Å; I69-I87 HydrophobicContact CG2-CG1 3.8Å; I69-F91 HydrophobicContact CD1-CD2 4.37Å; I69-F91 HydrophobicContact CD1-CE2 4.27Å; I69-F124 HydrophobicContact CB-CE2 4.4Å; I69-F124 HydrophobicContact CB-CZ 4.1Å; I69-F124 HydrophobicContact CD1-CE2 3.78Å; I69-F124 HydrophobicContact CD1-CZ 4.13Å; I69-F124 HydrophobicContact CG2-CE2 3.8Å; I69-F124 HydrophobicContact CG2-CZ 3.7Å |
| 70 | V | 98.3 | Very high | 97.3 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.6 | -19.7 | -171.4 | -55 | 0 | 0 | 0 | 0 | 113.6 | Y43 R66 N72 F75 F124 | Y43-V70 HydrophobicContact CE1-CG1 4.27Å; Y43-V70 HydrophobicContact CE2-CG1 4.25Å; R66-V70 HydrophobicContact CG-CG1 4.3Å; R66-V70 WeakPolarHBondContact O-CG1 3.47Å; R66-V70 WeakPolarHBondContact O-CG2 3.25Å; R66-V70 PolarHBondContact O-N 2.75Å; V70-N72 VanDerWaalsContact C-N 3.28Å; V70-F75 HydrophobicContact CB-CD1 4Å; V70-F75 HydrophobicContact CB-CE1 4.18Å; V70-F75 HydrophobicContact CG1-CD1 3.94Å; V70-F75 HydrophobicContact CG1-CE1 3.67Å; V70-F75 HydrophobicContact CG1-CE2 4.45Å; V70-F75 HydrophobicContact CG1-CG 4.44Å; V70-F75 HydrophobicContact CG1-CZ 3.96Å; V70-F124 HydrophobicContact CG1-CE1 3.8Å; V70-F124 HydrophobicContact CG1-CZ 4.14Å |
| 71 | Q | 97.6 | Very high | 97.3 | Very high | 145 Ų | 145 | 57.8 Ų | 57.8 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -18.6 | 171.6 | -75.2 | 172.9 | 26.7 | 0 | 0 | 112.8 | A67 I69 P73 | A67-Q71 VanDerWaalsContact O-CB 3.26Å; A67-Q71 WeakPolarHBondContact O-CB 3.33Å; A67-Q71 WeakPolarHBondContact O-CG 3.33Å; A67-Q71 PolarHBondContact O-N 2.83Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.31Å; Q71-P73 WeakPolarHBondContact O-CD 3.09Å |
| 72 | N | 97.5 | Very high | 97.3 | Very high | 33 Ų | 33 | 61 Ų | 61 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -70 | 122.1 | 173.7 | -172.5 | -38.6 | 0 | 0 | 0 | 109.1 | I69 V70 G74 F75 A86 D89 | I69-N72 VanDerWaalsContact O-CB 3.31Å; I69-N72 WeakPolarHBondContact O-CB 3.37Å; I69-N72 PolarHBondContact O-N 3.18Å; I69-N72 VanDerWaalsContact O-N 3.12Å; V70-N72 VanDerWaalsContact C-N 3.28Å; N72-G74 PolarHBondContact O-N 3.21Å; N72-G74 VanDerWaalsContact O-N 3.07Å; N72-G74 PolarHBondContact OD1-N 3.47Å; N72-F75 VanDerWaalsContact O-CB 3.27Å; N72-F75 WeakPolarHBondContact O-CB 3.49Å; N72-F75 PolarHBondContact O-N 2.98Å; N72-A86 HydrophobicContact CB-CB 3.83Å; N72-D89 WeakPolarHBondContact ND2-CB 3.3Å; N72-D89 PolarHBondContact ND2-OD2 3.43Å |
| 73 | P | 96.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -56.2 | -27.6 | -179.5 | -26.1 | 35 | 0 | 0 | 0 | 114.2 | Q71 F75 L76 | Q71-P73 WeakPolarHBondContact O-CD 3.09Å; P73-F75 PolarHBondContact O-N 3.21Å; P73-L76 PolarHBondContact O-N 2.91Å |
| 74 | G | 97.5 | Very high | 97.3 | Very high | 16 Ų | 16 | 54 Ų | 54 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -60.9 | -27.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N72 L76 S77 D82 | N72-G74 PolarHBondContact O-N 3.21Å; N72-G74 VanDerWaalsContact O-N 3.07Å; N72-G74 PolarHBondContact OD1-N 3.47Å; G74-L76 VanDerWaalsContact C-N 3.28Å; G74-L76 PolarHBondContact O-N 3.25Å; G74-S77 WeakPolarHBondContact O-CB 3.24Å; G74-S77 PolarHBondContact O-N 2.99Å; G74-S77 VanDerWaalsContact O-N 3.09Å; G74-D82 CarbonylContact O-C 3.53Å |
| 75 | F | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -64.4 | -32 | 178.2 | -177.2 | -100 | 0 | 0 | 0 | 112.9 | Y43 I69 V70 N72 P73 S77 V83 A86 F124 | Y43-F75 AromaticContact CD1-CE1 3.82Å; Y43-F75 HydrophobicContact CD1-CE1 3.82Å; Y43-F75 HydrophobicContact CD1-CZ 4.13Å; Y43-F75 AromaticContact CE1-CE1 3.95Å; Y43-F75 HydrophobicContact CE1-CE1 3.95Å; Y43-F75 HydrophobicContact CE1-CZ 4.48Å; Y43-F75 HydrophobicContact CG-CE1 4.33Å; Y43-F75 HydrophobicContact CG-CZ 4.18Å; I69-F75 HydrophobicContact CG2-CD2 3.7Å; I69-F75 HydrophobicContact CG2-CE2 4.09Å; I69-F75 HydrophobicContact CG2-CG 4.4Å; V70-F75 HydrophobicContact CB-CD1 4Å; V70-F75 HydrophobicContact CB-CE1 4.18Å; V70-F75 HydrophobicContact CG1-CD1 3.94Å; V70-F75 HydrophobicContact CG1-CE1 3.67Å; V70-F75 HydrophobicContact CG1-CE2 4.45Å; V70-F75 HydrophobicContact CG1-CG 4.44Å; V70-F75 HydrophobicContact CG1-CZ 3.96Å; N72-F75 VanDerWaalsContact O-CB 3.27Å; N72-F75 WeakPolarHBondContact O-CB 3.49Å; N72-F75 PolarHBondContact O-N 2.98Å; P73-F75 PolarHBondContact O-N 3.21Å; F75-S77 VanDerWaalsContact C-N 3.26Å; F75-S77 PolarHBondContact O-N 3.48Å; F75-V83 HydrophobicContact CD2-CG1 4.01Å; F75-V83 HydrophobicContact CE2-CG1 4.26Å; F75-A86 HydrophobicContact CB-CB 3.92Å; F75-F124 HydrophobicContact CE2-CB 4.49Å; F75-F124 AromaticContact CE2-CD1 3.65Å; F75-F124 HydrophobicContact CE2-CD1 3.65Å; F75-F124 HydrophobicContact CE2-CD2 4.21Å; F75-F124 AromaticContact CE2-CE1 3.74Å; F75-F124 HydrophobicContact CE2-CE1 3.74Å; F75-F124 HydrophobicContact CE2-CE2 4.31Å; F75-F124 AromaticContact CE2-CG 3.87Å; F75-F124 HydrophobicContact CE2-CG 3.87Å; F75-F124 HydrophobicContact CE2-CZ 4.07Å; F75-F124 AromaticContact CZ-CD1 3.45Å; F75-F124 HydrophobicContact CZ-CD1 3.45Å; F75-F124 VanDerWaalsContact CZ-CD1 3.45Å; F75-F124 AromaticContact CZ-CE1 3.59Å; F75-F124 HydrophobicContact CZ-CE1 3.59Å; F75-F124 HydrophobicContact CZ-CG 4.09Å; F75-F124 HydrophobicContact CZ-CZ 4.35Å |
| 76 | L | 91.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 52 Ų | 52 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -82.7 | -4.4 | 178.5 | -61.7 | 178.6 | 0 | 0 | 0 | 112.8 | P73 G74 | P73-L76 PolarHBondContact O-N 2.91Å; G74-L76 VanDerWaalsContact C-N 3.28Å; G74-L76 PolarHBondContact O-N 3.25Å |
| 77 | S | 93.9 | Very high | 97.3 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | trans | -62.9 | 158.8 | 178.4 | -169 | 0 | 0 | 0 | 0 | 112 | G74 F75 N79 D82 R126 | G74-S77 WeakPolarHBondContact O-CB 3.24Å; G74-S77 PolarHBondContact O-N 2.99Å; G74-S77 VanDerWaalsContact O-N 3.09Å; F75-S77 VanDerWaalsContact C-N 3.26Å; F75-S77 PolarHBondContact O-N 3.48Å; S77-N79 PolarHBondContact OG-N 3.37Å; S77-N79 VanDerWaalsContact OG-N 3.15Å; S77-D82 WeakPolarHBondContact CB-OD2 3.27Å; S77-D82 PolarHBondContact OG-OD2 3.45Å; S77-R126 PolarHBondContact O-NH1 3.39Å | ||
| 78 | N | 91 | Very high | 97.3 | Very high | 140 Ų | 140 | 50.8 Ų | 50.8 | 75% | 0.749 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -91.8 | -11.3 | 169 | -70 | -40.9 | 0 | 0 | 0 | 112.2 | ||
| 79 | N | 96.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 53 Ų | 53 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -83.1 | 127.3 | 173.6 | -178.2 | 7.8 | 0 | 0 | 0 | 109.3 | S77 D81 D82 V83 | S77-N79 PolarHBondContact OG-N 3.37Å; S77-N79 VanDerWaalsContact OG-N 3.15Å; N79-D81 VanDerWaalsContact C-N 3.31Å; N79-D81 PolarHBondContact O-N 2.84Å; N79-D81 PolarHBondContact OD1-N 2.95Å; N79-D82 HydrophobicContact CB-CB 4.37Å; N79-D82 WeakPolarHBondContact CB-OD2 3.35Å; N79-D82 PolarHBondContact ND2-OD1 3.39Å; N79-D82 PolarHBondContact O-N 3.4Å; N79-V83 PolarHBondContact O-N 3.04Å |
| 80 | D | 98.2 | Very high | 97.3 | Very high | 31 Ų | 31 | 53 Ų | 53 | 17% | 0.166 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -36.9 | -177.2 | -64.7 | -36.4 | 0 | 0 | 0 | 112 | D82 V83 L84 K129 Y131 M239 | D80-D82 VanDerWaalsContact C-N 3.31Å; D80-D82 PolarHBondContact O-N 2.84Å; D80-V83 PolarHBondContact O-N 2.9Å; D80-L84 VanDerWaalsContact O-CG 3.31Å; D80-L84 WeakPolarHBondContact O-CG 3.35Å; D80-L84 PolarHBondContact O-N 3.14Å; D80-K129 IonicContact OD1-NZ 3.41Å; D80-K129 PolarHBondContact OD1-NZ 2.65Å; D80-K129 IonicContact OD2-NZ 2.77Å; D80-K129 PolarHBondContact OD2-NZ 3.29Å; D80-Y131 HydrophobicContact CB-CE1 4.09Å; D80-Y131 PolarHBondContact OD1-OH 3.33Å; D80-M239 HydrophobicContact CB-CE 4.42Å; D80-M239 HydrophobicContact CB-CG 4.43Å; D80-M239 WeakPolarHBondContact OD2-CE 3.42Å |
| 81 | D | 98.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 51.5 Ų | 51.5 | 59% | 0.594 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.8 | -37.3 | -179.6 | -66.3 | -30.2 | 0 | 0 | 0 | 111.9 | N79 V83 L84 E85 | N79-D81 VanDerWaalsContact C-N 3.31Å; N79-D81 PolarHBondContact O-N 2.84Å; N79-D81 PolarHBondContact OD1-N 2.95Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 2.87Å; D81-L84 PolarHBondContact O-N 3.27Å; D81-E85 PolarHBondContact O-N 2.9Å |
| 82 | D | 98.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 177 | -59.7 | -9.8 | 0 | 0 | 0 | 111.2 | G74 S77 N79 D80 A86 | G74-D82 CarbonylContact O-C 3.53Å; S77-D82 WeakPolarHBondContact CB-OD2 3.27Å; S77-D82 PolarHBondContact OG-OD2 3.45Å; N79-D82 HydrophobicContact CB-CB 4.37Å; N79-D82 WeakPolarHBondContact CB-OD2 3.35Å; N79-D82 PolarHBondContact ND2-OD1 3.39Å; N79-D82 PolarHBondContact O-N 3.4Å; D80-D82 VanDerWaalsContact C-N 3.31Å; D80-D82 PolarHBondContact O-N 2.84Å; D82-A86 WeakPolarHBondContact O-CB 3.37Å; D82-A86 PolarHBondContact O-N 3.47Å |
| 83 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 177 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | F75 N79 D80 D81 A86 I87 Y131 | F75-V83 HydrophobicContact CD2-CG1 4.01Å; F75-V83 HydrophobicContact CE2-CG1 4.26Å; N79-V83 PolarHBondContact O-N 3.04Å; D80-V83 PolarHBondContact O-N 2.9Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 2.87Å; V83-A86 WeakPolarHBondContact O-CB 2.97Å; V83-A86 PolarHBondContact O-N 3.09Å; V83-I87 HydrophobicContact CG1-CD1 4.42Å; V83-I87 WeakPolarHBondContact O-CG1 3.46Å; V83-I87 PolarHBondContact O-N 3.3Å; V83-Y131 HydrophobicContact CB-CD1 4.05Å; V83-Y131 HydrophobicContact CB-CE1 3.85Å; V83-Y131 HydrophobicContact CG1-CD1 3.63Å; V83-Y131 HydrophobicContact CG1-CD2 4.17Å; V83-Y131 HydrophobicContact CG1-CE1 3.8Å; V83-Y131 HydrophobicContact CG1-CE2 4.31Å; V83-Y131 HydrophobicContact CG1-CG 3.82Å; V83-Y131 HydrophobicContact CG2-CE1 4.37Å |
| 84 | L | 98.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.5 | -41.5 | 177 | -66.4 | 177 | 0 | 0 | 0 | 111.9 | D80 D81 A86 I87 K88 Y131 V237 S238 M239 | D80-L84 VanDerWaalsContact O-CG 3.31Å; D80-L84 WeakPolarHBondContact O-CG 3.35Å; D80-L84 PolarHBondContact O-N 3.14Å; D81-L84 PolarHBondContact O-N 3.27Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-I87 PolarHBondContact O-N 2.92Å; L84-K88 PolarHBondContact O-N 3.42Å; L84-Y131 HydrophobicContact CD2-CD1 3.95Å; L84-Y131 HydrophobicContact CG-CD1 4.39Å; L84-V237 HydrophobicContact CB-CB 4.3Å; L84-V237 HydrophobicContact CB-CG2 3.99Å; L84-V237 HydrophobicContact CD2-CB 4.08Å; L84-S238 VanDerWaalsContact CD2-C 3.48Å; L84-S238 WeakPolarHBondContact CD2-O 3.39Å; L84-M239 HydrophobicContact CD1-CB 4.34Å; L84-M239 HydrophobicContact CD2-CB 4.33Å |
| 85 | E | 98.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 43.4 Ų | 43.4 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 174.7 | -164.3 | 64.1 | -157.2 | 0 | 0 | 111 | D81 I87 K88 D89 | D81-E85 PolarHBondContact O-N 2.9Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3Å; E85-K88 WeakPolarHBondContact O-CB 3.33Å; E85-K88 PolarHBondContact O-N 3.1Å; E85-K88 VanDerWaalsContact O-N 3.16Å; E85-K88 IonicContact OE1-NZ 2.88Å; E85-K88 PolarHBondContact OE1-NZ 2.69Å; E85-K88 IonicContact OE2-NZ 2.92Å; E85-K88 PolarHBondContact OE2-NZ 2.7Å; E85-D89 WeakPolarHBondContact O-CB 2.91Å; E85-D89 PolarHBondContact O-N 3.15Å |
| 86 | A | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N72 F75 D82 V83 L84 G90 | N72-A86 HydrophobicContact CB-CB 3.83Å; F75-A86 HydrophobicContact CB-CB 3.92Å; D82-A86 WeakPolarHBondContact O-CB 3.37Å; D82-A86 PolarHBondContact O-N 3.47Å; V83-A86 WeakPolarHBondContact O-CB 2.97Å; V83-A86 PolarHBondContact O-N 3.09Å; L84-A86 VanDerWaalsContact C-N 3.34Å; A86-G90 PolarHBondContact O-N 3.04Å |
| 87 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -49.7 | 172.7 | -70.7 | 166.5 | 0 | 0 | 0 | 109.9 | I69 V83 L84 E85 D89 G90 F91 F124 V237 | I69-I87 HydrophobicContact CD1-CG1 4.49Å; I69-I87 HydrophobicContact CD1-CG2 4.26Å; I69-I87 HydrophobicContact CG2-CB 4.47Å; I69-I87 HydrophobicContact CG2-CG1 3.8Å; V83-I87 HydrophobicContact CG1-CD1 4.42Å; V83-I87 WeakPolarHBondContact O-CG1 3.46Å; V83-I87 PolarHBondContact O-N 3.3Å; L84-I87 PolarHBondContact O-N 2.92Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3Å; I87-D89 PolarHBondContact O-N 3.33Å; I87-G90 PolarHBondContact O-N 3.37Å; I87-G90 VanDerWaalsContact O-N 3.17Å; I87-F91 HydrophobicContact CG2-CD2 4.25Å; I87-F91 HydrophobicContact CG2-CE2 3.97Å; I87-F91 VanDerWaalsContact O-CD2 3.29Å; I87-F91 WeakPolarHBondContact O-CD2 3.22Å; I87-F91 PolarHBondContact O-N 3.25Å; I87-F91 VanDerWaalsContact O-N 3.16Å; I87-F124 HydrophobicContact CD1-CD2 4.14Å; I87-F124 HydrophobicContact CG1-CD2 4.33Å; I87-F124 HydrophobicContact CG1-CE2 4.29Å; I87-V237 HydrophobicContact CB-CG1 4.42Å; I87-V237 HydrophobicContact CG2-CG1 3.97Å |
| 88 | K | 98.9 | Very high | 98.3 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 179.4 | 179 | 175.1 | 154.7 | -130.1 | 0 | 112.3 | L84 E85 G90 F91 L92 P235 V237 | L84-K88 PolarHBondContact O-N 3.42Å; E85-K88 WeakPolarHBondContact O-CB 3.33Å; E85-K88 PolarHBondContact O-N 3.1Å; E85-K88 VanDerWaalsContact O-N 3.16Å; E85-K88 IonicContact OE1-NZ 2.88Å; E85-K88 PolarHBondContact OE1-NZ 2.69Å; E85-K88 IonicContact OE2-NZ 2.92Å; E85-K88 PolarHBondContact OE2-NZ 2.7Å; K88-G90 VanDerWaalsContact C-N 3.3Å; K88-G90 PolarHBondContact O-N 2.97Å; K88-F91 WeakPolarHBondContact O-CB 3.27Å; K88-F91 PolarHBondContact O-N 3.2Å; K88-L92 WeakPolarHBondContact O-CG 3.37Å; K88-L92 PolarHBondContact O-N 2.57Å; K88-P235 HydrophobicContact CB-CG 4.23Å; K88-P235 HydrophobicContact CG-CG 4.28Å; K88-V237 HydrophobicContact CB-CG1 4.21Å |
| 89 | D | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 41 Ų | 41 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 174.7 | -78.1 | -16.4 | 0 | 0 | 0 | 111.6 | N72 E85 I87 F91 L92 I93 | N72-D89 WeakPolarHBondContact ND2-CB 3.3Å; N72-D89 PolarHBondContact ND2-OD2 3.43Å; E85-D89 WeakPolarHBondContact O-CB 2.91Å; E85-D89 PolarHBondContact O-N 3.15Å; I87-D89 PolarHBondContact O-N 3.33Å; D89-F91 VanDerWaalsContact C-N 3.3Å; D89-F91 PolarHBondContact O-N 3.36Å; D89-L92 PolarHBondContact O-N 3.03Å; D89-L92 VanDerWaalsContact O-N 3.13Å; D89-I93 WeakPolarHBondContact O-CB 3.3Å; D89-I93 VanDerWaalsContact O-CG1 3.27Å; D89-I93 WeakPolarHBondContact O-CG1 3.37Å; D89-I93 PolarHBondContact O-N 2.86Å |
| 90 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L65 A86 I87 K88 T94 | L65-G90 WeakPolarHBondContact CD1-O 3.33Å; A86-G90 PolarHBondContact O-N 3.04Å; I87-G90 PolarHBondContact O-N 3.37Å; I87-G90 VanDerWaalsContact O-N 3.17Å; K88-G90 VanDerWaalsContact C-N 3.3Å; K88-G90 PolarHBondContact O-N 2.97Å; G90-T94 WeakPolarHBondContact O-CB 3.38Å; G90-T94 PolarHBondContact O-N 2.96Å; G90-T94 PolarHBondContact O-OG1 3.08Å |
| 91 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -47.4 | 171.8 | -84.4 | -118.3 | 0 | 0 | 0 | 111.4 | L65 I69 I87 K88 D89 T94 Q95 A120 V122 V135 L216 P235 | L65-F91 HydrophobicContact CD1-CB 4.45Å; L65-F91 HydrophobicContact CD1-CD2 3.66Å; L65-F91 HydrophobicContact CD1-CE2 4.08Å; L65-F91 HydrophobicContact CD1-CG 4.03Å; L65-F91 HydrophobicContact CD2-CD2 4.26Å; L65-F91 HydrophobicContact CD2-CE1 4.43Å; L65-F91 HydrophobicContact CD2-CE2 3.87Å; L65-F91 HydrophobicContact CD2-CZ 3.96Å; L65-F91 HydrophobicContact CG-CD2 4.47Å; L65-F91 HydrophobicContact CG-CE2 4.41Å; I69-F91 HydrophobicContact CD1-CD2 4.37Å; I69-F91 HydrophobicContact CD1-CE2 4.27Å; I87-F91 HydrophobicContact CG2-CD2 4.25Å; I87-F91 HydrophobicContact CG2-CE2 3.97Å; I87-F91 VanDerWaalsContact O-CD2 3.29Å; I87-F91 WeakPolarHBondContact O-CD2 3.22Å; I87-F91 PolarHBondContact O-N 3.25Å; I87-F91 VanDerWaalsContact O-N 3.16Å; K88-F91 WeakPolarHBondContact O-CB 3.27Å; K88-F91 PolarHBondContact O-N 3.2Å; D89-F91 VanDerWaalsContact C-N 3.3Å; D89-F91 PolarHBondContact O-N 3.36Å; F91-T94 WeakPolarHBondContact O-CB 3.48Å; F91-T94 PolarHBondContact O-N 3.06Å; F91-Q95 PolarHBondContact O-N 2.94Å; F91-A120 HydrophobicContact CE1-CB 3.61Å; F91-A120 HydrophobicContact CZ-CB 3.96Å; F91-V122 HydrophobicContact CE2-CG1 4.46Å; F91-V122 HydrophobicContact CE2-CG2 3.86Å; F91-V122 HydrophobicContact CZ-CG1 4.14Å; F91-V122 HydrophobicContact CZ-CG2 4.02Å; F91-V135 HydrophobicContact CD1-CG1 4.3Å; F91-V135 HydrophobicContact CD1-CG2 4.39Å; F91-V135 HydrophobicContact CE1-CG1 4.27Å; F91-V135 HydrophobicContact CE1-CG2 4.02Å; F91-L216 HydrophobicContact CB-CD2 4.32Å; F91-L216 HydrophobicContact CD1-CD1 4.1Å; F91-L216 HydrophobicContact CD1-CD2 4.1Å; F91-L216 HydrophobicContact CD1-CG 4.16Å; F91-L216 HydrophobicContact CE1-CD1 4.46Å; F91-L216 WeakPolarHBondContact O-CD2 3.41Å; F91-P235 HydrophobicContact CB-CG 3.86Å; F91-P235 HydrophobicContact CD1-CB 3.75Å; F91-P235 HydrophobicContact CD1-CG 3.88Å; F91-P235 HydrophobicContact CD2-CB 4.28Å; F91-P235 HydrophobicContact CD2-CG 3.91Å; F91-P235 HydrophobicContact CE1-CB 3.8Å; F91-P235 HydrophobicContact CE1-CG 4.36Å; F91-P235 HydrophobicContact CE2-CB 4.34Å; F91-P235 HydrophobicContact CE2-CG 4.4Å; F91-P235 HydrophobicContact CG-CB 4Å; F91-P235 HydrophobicContact CG-CG 3.63Å; F91-P235 HydrophobicContact CZ-CB 4.11Å |
| 92 | L | 98.8 | Very high | 98.3 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 29% | 0.288 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.3 | -35.9 | -178.1 | -61.3 | -178.8 | 0 | 0 | 0 | 113.1 | K88 D89 Q95 S96 P233 V234 | K88-L92 WeakPolarHBondContact O-CG 3.37Å; K88-L92 PolarHBondContact O-N 2.57Å; D89-L92 PolarHBondContact O-N 3.03Å; D89-L92 VanDerWaalsContact O-N 3.13Å; L92-Q95 PolarHBondContact O-N 2.84Å; L92-S96 WeakPolarHBondContact O-CB 3.19Å; L92-S96 PolarHBondContact O-N 3.28Å; L92-S96 PolarHBondContact O-OG 2.89Å; L92-P233 HydrophobicContact CD2-CB 4.49Å; L92-P233 HydrophobicContact CD2-CG 4.04Å; L92-V234 HydrophobicContact CD2-CG2 4.05Å |
| 93 | I | 98.9 | Very high | 98.1 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 171.7 | -68.4 | 166.4 | 0 | 0 | 0 | 109.7 | N68 D89 Q95 S96 Q97 | N68-I93 HydrophobicContact CB-CB 4.32Å; N68-I93 HydrophobicContact CB-CG2 4.05Å; D89-I93 WeakPolarHBondContact O-CB 3.3Å; D89-I93 VanDerWaalsContact O-CG1 3.27Å; D89-I93 WeakPolarHBondContact O-CG1 3.37Å; D89-I93 PolarHBondContact O-N 2.86Å; I93-Q95 PolarHBondContact O-N 3.32Å; I93-S96 WeakPolarHBondContact O-CB 3.23Å; I93-S96 PolarHBondContact O-N 2.86Å; I93-Q97 HydrophobicContact CG2-CG 4.46Å; I93-Q97 WeakPolarHBondContact O-CG 3.44Å; I93-Q97 PolarHBondContact O-N 2.71Å |
| 94 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | R64 L65 N68 G90 F91 S96 Q97 M98 L216 | R64-T94 HydrophobicContact CB-CG2 4.46Å; L65-T94 HydrophobicContact CB-CG2 4.47Å; L65-T94 VanDerWaalsContact CD1-OG1 3.32Å; L65-T94 WeakPolarHBondContact CD1-OG1 3.34Å; N68-T94 PolarHBondContact ND2-OG1 2.7Å; G90-T94 WeakPolarHBondContact O-CB 3.38Å; G90-T94 PolarHBondContact O-N 2.96Å; G90-T94 PolarHBondContact O-OG1 3.08Å; F91-T94 WeakPolarHBondContact O-CB 3.48Å; F91-T94 PolarHBondContact O-N 3.06Å; T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.84Å; T94-Q97 PolarHBondContact O-N 2.62Å; T94-M98 HydrophobicContact CG2-CE 4.01Å; T94-M98 WeakPolarHBondContact O-CG 3.49Å; T94-M98 PolarHBondContact O-N 3.34Å; T94-L216 HydrophobicContact CG2-CD1 4.27Å |
| 95 | Q | 98.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -45 | 173.1 | -177.6 | 72.8 | 1.1 | 0 | 0 | 111.8 | F91 L92 I93 Q97 M98 L99 L216 G217 L219 F229 P233 | F91-Q95 PolarHBondContact O-N 2.94Å; L92-Q95 PolarHBondContact O-N 2.84Å; I93-Q95 PolarHBondContact O-N 3.32Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 2.92Å; Q95-M98 WeakPolarHBondContact O-CB 3.36Å; Q95-M98 PolarHBondContact O-N 2.8Å; Q95-L99 PolarHBondContact O-N 2.8Å; Q95-L216 HydrophobicContact CB-CD2 4.22Å; Q95-G217 PolarHBondContact NE2-O 2.81Å; Q95-L219 VanDerWaalsContact NE2-CD2 3.32Å; Q95-F229 HydrophobicContact CG-CE2 4.43Å; Q95-P233 HydrophobicContact CB-CB 3.93Å; Q95-P233 HydrophobicContact CB-CG 4.36Å; Q95-P233 HydrophobicContact CG-CB 3.73Å; Q95-P233 HydrophobicContact CG-CG 3.85Å |
| 96 | S | 98.6 | Very high | 97.7 | Very high | 77 Ų | 77 | 52 Ų | 52 | 54% | 0.538 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | L92 I93 T94 L99 S100 | L92-S96 WeakPolarHBondContact O-CB 3.19Å; L92-S96 PolarHBondContact O-N 3.28Å; L92-S96 PolarHBondContact O-OG 2.89Å; I93-S96 WeakPolarHBondContact O-CB 3.23Å; I93-S96 PolarHBondContact O-N 2.86Å; T94-S96 VanDerWaalsContact C-N 3.32Å; T94-S96 PolarHBondContact O-N 2.84Å; S96-L99 PolarHBondContact O-N 2.9Å; S96-S100 PolarHBondContact O-N 2.84Å; S96-S100 VanDerWaalsContact O-N 3.15Å |
| 97 | Q | 98.7 | Very high | 97.4 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 174 | -69.6 | 172.1 | -8.2 | 0 | 0 | 111 | M60 N68 I93 T94 Q95 L99 S100 E101 | M60-Q97 VanDerWaalsContact CE-C 3.42Å; M60-Q97 HydrophobicContact CE-CB 3.54Å; N68-Q97 PolarHBondContact ND2-OE1 3.19Å; N68-Q97 PolarHBondContact OD1-NE2 2.76Å; I93-Q97 HydrophobicContact CG2-CG 4.46Å; I93-Q97 WeakPolarHBondContact O-CG 3.44Å; I93-Q97 PolarHBondContact O-N 2.71Å; T94-Q97 PolarHBondContact O-N 2.62Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 2.92Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 3Å; Q97-S100 PolarHBondContact O-N 2.91Å; Q97-S100 VanDerWaalsContact O-N 3.09Å; Q97-S100 PolarHBondContact O-OG 2.85Å; Q97-E101 PolarHBondContact O-N 2.91Å |
| 98 | M | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.9 | -44 | 174 | -70.6 | 171.6 | 172.1 | 0 | 0 | 111.7 | A57 M60 A61 T94 Q95 S100 E101 V102 W105 L216 G217 L219 | A57-M98 HydrophobicContact CB-CE 4.19Å; A57-M98 WeakPolarHBondContact O-CE 3.11Å; M60-M98 HydrophobicContact CB-CE 4.05Å; M60-M98 HydrophobicContact CB-CG 4.38Å; M60-M98 HydrophobicContact CE-CG 4.41Å; M60-M98 HydrophobicContact CG-CE 4.36Å; M60-M98 HydrophobicContact CG-CG 4.01Å; M60-M98 HydrophobicContact SD-CB 4.07Å; M60-M98 HydrophobicContact SD-CG 3.44Å; M60-M98 WeakPolarHBondContact SD-CG 3.45Å; A61-M98 HydrophobicContact CB-CE 4.01Å; T94-M98 HydrophobicContact CG2-CE 4.01Å; T94-M98 WeakPolarHBondContact O-CG 3.49Å; T94-M98 PolarHBondContact O-N 3.34Å; Q95-M98 WeakPolarHBondContact O-CB 3.36Å; Q95-M98 PolarHBondContact O-N 2.8Å; M98-S100 VanDerWaalsContact C-N 3.26Å; M98-S100 PolarHBondContact O-N 2.85Å; M98-E101 CarbonylContact O-C 3.55Å; M98-E101 PolarHBondContact O-N 3.08Å; M98-V102 PolarHBondContact O-N 3.19Å; M98-W105 HydrophobicContact CB-CH2 3.77Å; M98-W105 HydrophobicContact CB-CZ2 4.08Å; M98-W105 HydrophobicContact CG-CH2 3.79Å; M98-W105 HydrophobicContact CG-CZ2 3.99Å; M98-W105 HydrophobicContact SD-CH2 4.25Å; M98-L216 HydrophobicContact CE-CB 4Å; M98-L216 HydrophobicContact SD-CB 4.05Å; M98-G217 PolarHBondContact SD-N 3.36Å; M98-L219 HydrophobicContact CB-CD1 4.34Å |
| 99 | L | 97.3 | Very high | 96.4 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.6 | -37 | 176.6 | -173.6 | 65.7 | 0 | 0 | 0 | 112.3 | Q95 S96 Q97 E101 V102 L219 | Q95-L99 PolarHBondContact O-N 2.8Å; S96-L99 PolarHBondContact O-N 2.9Å; Q97-L99 VanDerWaalsContact C-N 3.3Å; Q97-L99 PolarHBondContact O-N 3Å; L99-E101 VanDerWaalsContact C-N 3.27Å; L99-E101 PolarHBondContact O-N 2.82Å; L99-V102 WeakPolarHBondContact O-CG1 3.34Å; L99-L219 HydrophobicContact CB-CD2 4.2Å; L99-L219 HydrophobicContact CD1-CD1 4.33Å; L99-L219 HydrophobicContact CD1-CD2 4.13Å |
| 100 | S | 97.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.8 | -18.3 | 176.7 | 77.2 | 0 | 0 | 0 | 0 | 114.3 | S96 Q97 M98 | S96-S100 PolarHBondContact O-N 2.84Å; S96-S100 VanDerWaalsContact O-N 3.15Å; Q97-S100 PolarHBondContact O-N 2.91Å; Q97-S100 VanDerWaalsContact O-N 3.09Å; Q97-S100 PolarHBondContact O-OG 2.85Å; M98-S100 VanDerWaalsContact C-N 3.26Å; M98-S100 PolarHBondContact O-N 2.85Å |
| 101 | E | 95.7 | Very high | 95.3 | Very high | 54 Ų | 54 | 66.3 Ų | 66.3 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -110.1 | -5.9 | -177.2 | -58.2 | -149.4 | 126 | 0 | 0 | 113.8 | M60 Q97 M98 L99 E103 K104 | M60-E101 HydrophobicContact CE-CB 4.42Å; M60-E101 HydrophobicContact CE-CG 3.98Å; M60-E101 VanDerWaalsContact CE-OE2 3.29Å; M60-E101 WeakPolarHBondContact CE-OE2 3.27Å; Q97-E101 PolarHBondContact O-N 2.91Å; M98-E101 CarbonylContact O-C 3.55Å; M98-E101 PolarHBondContact O-N 3.08Å; L99-E101 VanDerWaalsContact C-N 3.27Å; L99-E101 PolarHBondContact O-N 2.82Å; E101-E103 PolarHBondContact O-N 3.37Å; E101-E103 VanDerWaalsContact O-N 3.09Å; E101-K104 HydrophobicContact CB-CD 4.35Å; E101-K104 WeakPolarHBondContact O-CA 3.38Å; E101-K104 VanDerWaalsContact O-CB 3.24Å; E101-K104 WeakPolarHBondContact O-CB 3.31Å; E101-K104 PolarHBondContact O-N 2.87Å; E101-K104 IonicContact OE1-NZ 3.21Å; E101-K104 PolarHBondContact OE1-NZ 3.47Å |
| 102 | V | 95 | Very high | 95 | Very high | 27 Ų | 27 | 66.9 Ų | 66.9 | 16% | 0.164 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -56.9 | -30.8 | -174.4 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | M98 L99 K104 W105 L219 | M98-V102 PolarHBondContact O-N 3.19Å; L99-V102 WeakPolarHBondContact O-CG1 3.34Å; V102-K104 PolarHBondContact O-N 3.38Å; V102-W105 HydrophobicContact CG2-CE3 4.19Å; V102-W105 WeakPolarHBondContact O-CB 3.31Å; V102-W105 PolarHBondContact O-N 3.2Å; V102-W105 VanDerWaalsContact O-N 3.13Å; V102-L219 HydrophobicContact CB-CD1 3.51Å; V102-L219 HydrophobicContact CG1-CD1 4.29Å; V102-L219 HydrophobicContact CG2-CB 4.44Å; V102-L219 HydrophobicContact CG2-CD1 3.5Å |
| 103 | E | 94.4 | Very high | 94.7 | Very high | 190 Ų | 190 | 68 Ų | 68 | 89% | 0.888 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -66.6 | -21.6 | 176.8 | -64.4 | -169.2 | 158.4 | 0 | 0 | 113 | E101 | E101-E103 PolarHBondContact O-N 3.37Å; E101-E103 VanDerWaalsContact O-N 3.09Å |
| 104 | K | 95.9 | Very high | 94.5 | Very high | 151 Ų | 151 | 64.9 Ų | 64.9 | 66% | 0.657 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -83.5 | -19.4 | 175.7 | -52.4 | 174.1 | -170.6 | 170.9 | 0 | 112.1 | E101 V102 | E101-K104 HydrophobicContact CB-CD 4.35Å; E101-K104 WeakPolarHBondContact O-CA 3.38Å; E101-K104 VanDerWaalsContact O-CB 3.24Å; E101-K104 WeakPolarHBondContact O-CB 3.31Å; E101-K104 PolarHBondContact O-N 2.87Å; E101-K104 IonicContact OE1-NZ 3.21Å; E101-K104 PolarHBondContact OE1-NZ 3.47Å; V102-K104 PolarHBondContact O-N 3.38Å |
| 105 | W | 96.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -75.8 | 145.8 | -178.2 | -63.3 | -6.6 | 0 | 0 | 0 | 111.3 | D56 A57 M60 M98 V102 K107 L219 | D56-W105 HydrophobicContact CB-CB 4.42Å; D56-W105 HydrophobicContact CB-CD2 3.58Å; D56-W105 HydrophobicContact CB-CE3 4.07Å; D56-W105 HydrophobicContact CB-CG 3.74Å; D56-W105 HydrophobicContact CB-CZ2 4.17Å; A57-W105 HydrophobicContact CB-CH2 3.98Å; A57-W105 HydrophobicContact CB-CZ3 4.3Å; M60-W105 HydrophobicContact CB-CZ2 4.43Å; M60-W105 HydrophobicContact SD-CZ2 3.83Å; M98-W105 HydrophobicContact CB-CH2 3.77Å; M98-W105 HydrophobicContact CB-CZ2 4.08Å; M98-W105 HydrophobicContact CG-CH2 3.79Å; M98-W105 HydrophobicContact CG-CZ2 3.99Å; M98-W105 HydrophobicContact SD-CH2 4.25Å; V102-W105 HydrophobicContact CG2-CE3 4.19Å; V102-W105 WeakPolarHBondContact O-CB 3.31Å; V102-W105 PolarHBondContact O-N 3.2Å; V102-W105 VanDerWaalsContact O-N 3.13Å; W105-K107 PolarHBondContact O-N 2.9Å; W105-L219 HydrophobicContact CZ3-CD1 4.23Å |
| 106 | P | 94.4 | Very high | 94.4 | Very high | 87 Ų | 87 | 65.2 Ų | 65.2 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 130.7 | 177.9 | -24.9 | 34.7 | 0 | 0 | 0 | 112.1 | D56 S114 | D56-P106 WeakPolarHBondContact OD1-CD 3.05Å; P106-S114 VanDerWaalsContact O-CB 3.32Å; P106-S114 WeakPolarHBondContact O-CB 3.26Å |
| 107 | K | 93.6 | Very high | 94.4 | Very high | 151 Ų | 151 | 61.5 Ų | 61.5 | 66% | 0.657 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 157.1 | 171.6 | -72.2 | -171.4 | -178.9 | -177.6 | 0 | 110.7 | W105 F112 | W105-K107 PolarHBondContact O-N 2.9Å; K107-F112 CarbonylContact C-O 3.55Å; K107-F112 VanDerWaalsContact CA-O 3.29Å; K107-F112 WeakPolarHBondContact CA-O 3.48Å; K107-F112 WeakPolarHBondContact CB-O 3.3Å; K107-F112 WeakPolarHBondContact CG-O 3.36Å |
| 108 | T | 90 | Very high | 94.4 | Very high | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -61 | 159.4 | 171.5 | 74.4 | 0 | 0 | 0 | 0 | 110.6 | S110 G111 F112 T115 W189 | T108-S110 PolarHBondContact O-N 3.26Å; T108-S110 VanDerWaalsContact O-N 3.08Å; T108-S110 PolarHBondContact OG1-N 2.04Å; T108-S110 PolarHBondContact OG1-OG 2.97Å; T108-G111 WeakPolarHBondContact O-CA 3.3Å; T108-G111 PolarHBondContact O-N 2.92Å; T108-G111 PolarHBondContact OG1-N 3.3Å; T108-F112 HydrophobicContact CG2-CB 4.15Å; T108-F112 PolarHBondContact N-O 2.9Å; T108-F112 PolarHBondContact OG1-N 2.71Å; T108-T115 HydrophobicContact CG2-CG2 3.91Å; T108-W189 HydrophobicContact CG2-CH2 4.46Å |
| 109 | S | 86.4 | Confident | 94.4 | Very high | 140 Ų | 140 | 59 Ų | 59 | 98% | 0.979 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.3 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | G111 | S109-G111 VanDerWaalsContact C-N 3.34Š|
| 110 | S | 86.7 | Confident | 94.5 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 42% | 0.42 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.8 | 174 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | T108 F112 | T108-S110 PolarHBondContact O-N 3.26Å; T108-S110 VanDerWaalsContact O-N 3.08Å; T108-S110 PolarHBondContact OG1-N 2.04Å; T108-S110 PolarHBondContact OG1-OG 2.97Å; S110-F112 VanDerWaalsContact OG-CD2 3.25Å; S110-F112 WeakPolarHBondContact OG-CD2 3.1Å |
| 111 | G | 89.1 | Confident | 94.6 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 84.6 | 10.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T108 S109 | T108-G111 WeakPolarHBondContact O-CA 3.3Å; T108-G111 PolarHBondContact O-N 2.92Å; T108-G111 PolarHBondContact OG1-N 3.3Å; S109-G111 VanDerWaalsContact C-N 3.34Å |
| 112 | F | 91.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 159.6 | 173.1 | -65.7 | -91 | 0 | 0 | 0 | 110.8 | K107 T108 S110 W189 R191 P192 P195 | K107-F112 CarbonylContact C-O 3.55Å; K107-F112 VanDerWaalsContact CA-O 3.29Å; K107-F112 WeakPolarHBondContact CA-O 3.48Å; K107-F112 WeakPolarHBondContact CB-O 3.3Å; K107-F112 WeakPolarHBondContact CG-O 3.36Å; T108-F112 HydrophobicContact CG2-CB 4.15Å; T108-F112 PolarHBondContact N-O 2.9Å; T108-F112 PolarHBondContact OG1-N 2.71Å; S110-F112 VanDerWaalsContact OG-CD2 3.25Å; S110-F112 WeakPolarHBondContact OG-CD2 3.1Å; F112-W189 HydrophobicContact CB-CH2 3.86Å; F112-W189 HydrophobicContact CB-CZ2 4.1Å; F112-W189 HydrophobicContact CD1-CZ2 4.24Å; F112-W189 HydrophobicContact CD2-CH2 4.49Å; F112-W189 HydrophobicContact CG-CH2 4.05Å; F112-W189 HydrophobicContact CG-CZ2 4.21Å; F112-R191 HydrophobicContact CE1-CB 4.04Å; F112-R191 HydrophobicContact CE1-CG 4.14Å; F112-R191 HydrophobicContact CZ-CG 4.21Å; F112-P192 HydrophobicContact CE1-CG 3.97Å; F112-P192 WeakPolarHBondContact CE1-O 3.27Å; F112-P192 WeakPolarHBondContact CZ-O 3.13Å; F112-P195 HydrophobicContact CD1-CB 4.14Å; F112-P195 HydrophobicContact CE1-CB 3.93Å; F112-P195 HydrophobicContact CE1-CG 4.33Å; F112-P195 HydrophobicContact CE2-CG 4.32Å; F112-P195 HydrophobicContact CZ-CB 4.26Å; F112-P195 HydrophobicContact CZ-CG 4.17Å |
| 113 | P | 92 | Very high | 94.9 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 51% | 0.513 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 155.9 | 168.3 | -25.5 | 35.5 | 0 | 0 | 0 | 112.3 | T115 | P113-T115 PolarHBondContact O-N 2.98Š|
| 114 | S | 96 | Very high | 95.1 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -51.9 | 139.2 | 179.3 | -180 | 0 | 0 | 0 | 0 | 111.3 | P106 S116 | P106-S114 VanDerWaalsContact O-CB 3.32Å; P106-S114 WeakPolarHBondContact O-CB 3.26Å; S114-S116 WeakPolarHBondContact OG-CB 3.48Å; S114-S116 PolarHBondContact OG-N 3.41Å; S114-S116 VanDerWaalsContact OG-N 3.12Å |
| 115 | T | 96.7 | Very high | 95.1 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | trans | -101.8 | 14 | 173.3 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | T108 P113 G117 W189 F209 W220 | T108-T115 HydrophobicContact CG2-CG2 3.91Å; P113-T115 PolarHBondContact O-N 2.98Å; T115-G117 PolarHBondContact O-N 3.41Å; T115-W189 HydrophobicContact CG2-CE3 4.28Å; T115-W189 HydrophobicContact CG2-CH2 3.51Å; T115-W189 HydrophobicContact CG2-CZ2 4.15Å; T115-W189 HydrophobicContact CG2-CZ3 3.58Å; T115-F209 HydrophobicContact CG2-CE1 4.16Å; T115-F209 HydrophobicContact CG2-CZ 3.84Å; T115-W220 HydrophobicContact CG2-CG 4.3Å | ||
| 116 | S | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -63 | 130.4 | -177.8 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | H52 G53 G54 D56 A57 S114 D218 | H52-S116 VanDerWaalsContact O-CA 3.31Å; H52-S116 WeakPolarHBondContact O-CA 3.37Å; G53-S116 WeakPolarHBondContact O-CA 3.42Å; G53-S116 PolarHBondContact O-N 3.41Å; G54-S116 PolarHBondContact O-OG 3.42Å; D56-S116 PolarHBondContact N-OG 2.91Å; A57-S116 WeakPolarHBondContact CB-OG 3.01Å; A57-S116 PolarHBondContact N-OG 2.78Å; S114-S116 WeakPolarHBondContact OG-CB 3.48Å; S114-S116 PolarHBondContact OG-N 3.41Å; S114-S116 VanDerWaalsContact OG-N 3.12Å; S116-D218 PolarHBondContact O-N 3.39Å | ||
| 117 | G | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 171.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | H52 T115 L216 | H52-G117 VanDerWaalsContact CE1-C 3.41Å; H52-G117 PolarHBondContact N-O 3.13Å; H52-G117 WeakPolarHBondContact NE2-CA 3.41Å; H52-G117 PolarHBondContact O-N 2.89Å; T115-G117 PolarHBondContact O-N 3.41Å; G117-L216 CarbonylContact C-O 3.59Å; G117-L216 VanDerWaalsContact CA-O 3.24Å; G117-L216 WeakPolarHBondContact CA-O 3.42Å |
| 118 | T | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 145.4 | 179.7 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | F49 D50 A57 S58 A61 A215 L216 | F49-T118 WeakPolarHBondContact CB-OG1 3.18Å; D50-T118 CarbonylContact O-C 3.56Å; D50-T118 WeakPolarHBondContact O-CA 3.4Å; D50-T118 WeakPolarHBondContact O-CB 3.44Å; D50-T118 PolarHBondContact O-OG1 3.42Å; A57-T118 HydrophobicContact CB-CG2 4.08Å; S58-T118 WeakPolarHBondContact CB-OG1 3.44Å; A61-T118 HydrophobicContact CB-CG2 4.04Å; T118-A215 CarbonylContact O-C 3.57Å; T118-A215 WeakPolarHBondContact O-CA 3.46Å; T118-A215 VanDerWaalsContact O-CB 3.31Å; T118-A215 WeakPolarHBondContact O-CB 3.14Å; T118-L216 HydrophobicContact CG2-CB 4.03Å; T118-L216 PolarHBondContact N-O 2.94Å; T118-L216 PolarHBondContact O-N 2.96Å |
| 119 | T | 98.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | trans | -64.5 | 164.6 | 160.8 | 78.9 | 0 | 0 | 0 | 0 | 109.5 | F49 D50 V135 D137 S138 | F49-T119 WeakPolarHBondContact CA-O 3.34Å; D50-T119 HydrophobicContact CB-CG2 3.83Å; D50-T119 VanDerWaalsContact CB-OG1 3.25Å; D50-T119 WeakPolarHBondContact CB-OG1 3.37Å; D50-T119 PolarHBondContact N-OG1 3.21Å; D50-T119 PolarHBondContact O-N 3.14Å; T119-V135 WeakPolarHBondContact CA-O 3.48Å; T119-V135 WeakPolarHBondContact CB-O 3.46Å; T119-D137 WeakPolarHBondContact CG2-OD1 3.29Å; T119-S138 PolarHBondContact OG1-OG 2.82Å | ||
| 120 | A | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 112.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | F49 L65 F91 H134 V135 L216 | F49-A120 HydrophobicContact CD1-CB 3.67Å; F49-A120 HydrophobicContact CE1-CB 3.69Å; L65-A120 HydrophobicContact CD2-CB 4.27Å; F91-A120 HydrophobicContact CE1-CB 3.61Å; F91-A120 HydrophobicContact CZ-CB 3.96Å; A120-H134 CarbonylContact O-C 3.59Å; A120-H134 VanDerWaalsContact O-CA 3.26Å; A120-H134 WeakPolarHBondContact O-CA 3.37Å; A120-V135 HydrophobicContact CB-CG2 4.01Å; A120-V135 PolarHBondContact N-O 3.35Å; A120-V135 PolarHBondContact O-N 2.96Å; A120-L216 HydrophobicContact CB-CD1 4.08Å |
| 121 | S | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 101.4 | 172.6 | -65.3 | 0 | 0 | 0 | 0 | 108.2 | A47 V48 H134 S138 | A47-S121 WeakPolarHBondContact CA-O 3.25Å; V48-S121 PolarHBondContact N-O 2.89Å; V48-S121 VanDerWaalsContact N-O 3.09Å; V48-S121 PolarHBondContact O-N 2.94Å; S121-H134 PolarHBondContact OG-CE1 3.29Å; S121-H134 VanDerWaalsContact OG-CE1 3.28Å; S121-H134 PolarHBondContact OG-ND1 2.94Å; S121-S138 VanDerWaalsContact OG-C 3.32Å; S121-S138 WeakPolarHBondContact OG-CB 3.24Å; S121-S138 PolarHBondContact OG-O 3.05Å |
| 122 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 144.7 | -173.9 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | F45 L46 A47 F49 L65 F91 I132 G133 I140 | F45-V122 HydrophobicContact CE2-CB 3.85Å; F45-V122 HydrophobicContact CE2-CG1 4.19Å; F45-V122 HydrophobicContact CE2-CG2 4.4Å; F45-V122 HydrophobicContact CZ-CB 4.28Å; F45-V122 HydrophobicContact CZ-CG1 4.15Å; L46-V122 CarbonylContact O-C 3.59Å; L46-V122 WeakPolarHBondContact O-CA 3.06Å; A47-V122 HydrophobicContact CB-CB 4.19Å; A47-V122 HydrophobicContact CB-CG1 3.7Å; F49-V122 HydrophobicContact CE1-CG1 4.22Å; F49-V122 HydrophobicContact CZ-CG1 4.37Å; L65-V122 HydrophobicContact CD2-CG1 3.7Å; F91-V122 HydrophobicContact CE2-CG1 4.46Å; F91-V122 HydrophobicContact CE2-CG2 3.86Å; F91-V122 HydrophobicContact CZ-CG1 4.14Å; F91-V122 HydrophobicContact CZ-CG2 4.02Å; V122-I132 WeakPolarHBondContact O-CA 3.46Å; V122-G133 WeakPolarHBondContact CG2-O 3.37Å; V122-G133 PolarHBondContact N-O 3.1Å; V122-G133 PolarHBondContact O-N 3.4Å; V122-G133 VanDerWaalsContact O-N 3.12Å; V122-I140 WeakPolarHBondContact O-CD1 3.3Å |
| 123 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F45 L46 V130 Y131 I140 L249 I251 | F45-A123 WeakPolarHBondContact CA-O 3.47Å; L46-A123 PolarHBondContact N-O 2.76Å; L46-A123 PolarHBondContact O-N 2.87Å; A123-V130 HydrophobicContact CB-CG1 3.93Å; A123-Y131 CarbonylContact C-O 3.53Å; A123-Y131 VanDerWaalsContact CA-O 3.3Å; A123-Y131 WeakPolarHBondContact CA-O 3.37Å; A123-I140 HydrophobicContact CB-CD1 4.16Å; A123-L249 HydrophobicContact CB-CD2 4.09Å; A123-I251 HydrophobicContact CB-CD1 4.02Å |
| 124 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.5 | 163.7 | -71.6 | -93.7 | 0 | 0 | 0 | 109.2 | Y43 V44 F45 R66 I69 V70 F75 I87 V130 Y131 | Y43-F124 AromaticContact CD2-CD1 3.68Å; Y43-F124 HydrophobicContact CD2-CD1 3.68Å; Y43-F124 AromaticContact CD2-CE1 3.94Å; Y43-F124 HydrophobicContact CD2-CE1 3.94Å; Y43-F124 HydrophobicContact CE2-CD1 4.17Å; Y43-F124 AromaticContact CE2-CE1 3.94Å; Y43-F124 HydrophobicContact CE2-CE1 3.94Å; Y43-F124 HydrophobicContact CG-CD1 4.27Å; V44-F124 CarbonylContact O-C 3.57Å; V44-F124 WeakPolarHBondContact O-CA 3.39Å; F45-F124 HydrophobicContact CB-CD1 4.18Å; F45-F124 HydrophobicContact CB-CE1 3.99Å; F45-F124 AromaticContact CD2-CD1 3.97Å; F45-F124 HydrophobicContact CD2-CD1 3.97Å; F45-F124 HydrophobicContact CD2-CD2 4.01Å; F45-F124 AromaticContact CD2-CE1 3.48Å; F45-F124 HydrophobicContact CD2-CE1 3.48Å; F45-F124 VanDerWaalsContact CD2-CE1 3.48Å; F45-F124 AromaticContact CD2-CE2 3.51Å; F45-F124 HydrophobicContact CD2-CE2 3.51Å; F45-F124 HydrophobicContact CD2-CG 4.23Å; F45-F124 AromaticContact CD2-CZ 3.24Å; F45-F124 HydrophobicContact CD2-CZ 3.24Å; F45-F124 HydrophobicContact CE2-CD2 4.43Å; F45-F124 HydrophobicContact CE2-CE1 4.33Å; F45-F124 AromaticContact CE2-CE2 3.67Å; F45-F124 HydrophobicContact CE2-CE2 3.67Å; F45-F124 AromaticContact CE2-CZ 3.63Å; F45-F124 HydrophobicContact CE2-CZ 3.63Å; F45-F124 HydrophobicContact CG-CE1 4.12Å; F45-F124 HydrophobicContact CG-CZ 4.23Å; R66-F124 HydrophobicContact CG-CE1 4.41Å; R66-F124 HydrophobicContact CG-CZ 4.41Å; I69-F124 HydrophobicContact CB-CE2 4.4Å; I69-F124 HydrophobicContact CB-CZ 4.1Å; I69-F124 HydrophobicContact CD1-CE2 3.78Å; I69-F124 HydrophobicContact CD1-CZ 4.13Å; I69-F124 HydrophobicContact CG2-CE2 3.8Å; I69-F124 HydrophobicContact CG2-CZ 3.7Å; V70-F124 HydrophobicContact CG1-CE1 3.8Å; V70-F124 HydrophobicContact CG1-CZ 4.14Å; F75-F124 HydrophobicContact CE2-CB 4.49Å; F75-F124 AromaticContact CE2-CD1 3.65Å; F75-F124 HydrophobicContact CE2-CD1 3.65Å; F75-F124 HydrophobicContact CE2-CD2 4.21Å; F75-F124 AromaticContact CE2-CE1 3.74Å; F75-F124 HydrophobicContact CE2-CE1 3.74Å; F75-F124 HydrophobicContact CE2-CE2 4.31Å; F75-F124 AromaticContact CE2-CG 3.87Å; F75-F124 HydrophobicContact CE2-CG 3.87Å; F75-F124 HydrophobicContact CE2-CZ 4.07Å; F75-F124 AromaticContact CZ-CD1 3.45Å; F75-F124 HydrophobicContact CZ-CD1 3.45Å; F75-F124 VanDerWaalsContact CZ-CD1 3.45Å; F75-F124 AromaticContact CZ-CE1 3.59Å; F75-F124 HydrophobicContact CZ-CE1 3.59Å; F75-F124 HydrophobicContact CZ-CG 4.09Å; F75-F124 HydrophobicContact CZ-CZ 4.35Å; I87-F124 HydrophobicContact CD1-CD2 4.14Å; I87-F124 HydrophobicContact CG1-CD2 4.33Å; I87-F124 HydrophobicContact CG1-CE2 4.29Å; F124-V130 CarbonylContact O-C 3.49Å; F124-V130 VanDerWaalsContact O-CA 3.3Å; F124-V130 WeakPolarHBondContact O-CA 3.33Å; F124-Y131 PolarHBondContact N-O 3.4Å; F124-Y131 PolarHBondContact O-N 3.26Å |
| 125 | I | 96.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 10.4 Ų | 10.4 | 6% | 0.062 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 110.8 | 170.4 | -55.7 | 167.9 | 0 | 0 | 0 | 107.4 | L11 Y43 V44 L46 K129 V130 L242 V320 F322 | L11-I125 HydrophobicContact CD1-CD1 4.12Å; L11-I125 HydrophobicContact CD1-CG2 4.38Å; Y43-I125 CarbonylContact C-O 3.53Å; Y43-I125 VanDerWaalsContact CA-O 3.3Å; Y43-I125 WeakPolarHBondContact CA-O 3.31Å; V44-I125 HydrophobicContact CB-CB 4.38Å; V44-I125 PolarHBondContact N-O 3.46Å; V44-I125 PolarHBondContact O-N 3.49Å; L46-I125 HydrophobicContact CD1-CD1 3.69Å; L46-I125 HydrophobicContact CD1-CG1 4.34Å; I125-K129 WeakPolarHBondContact CA-O 3.45Å; I125-V130 HydrophobicContact CG1-CG2 4.29Å; I125-L242 HydrophobicContact CG2-CD1 4.47Å; I125-V320 HydrophobicContact CD1-CG1 4.14Å; I125-F322 HydrophobicContact CD1-CE1 4.08Å |
| 126 | R | 92.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 9.8 Ų | 9.8 | 6% | 0.064 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 135.4 | -177.8 | 174.3 | 165.6 | -173 | -101.5 | 7.6 | 109.7 | D42 S77 N128 K129 Y131 | D42-R126 VanDerWaalsContact O-CG 3.3Å; D42-R126 WeakPolarHBondContact O-CG 3.22Å; D42-R126 IonicContact OD1-NE 2.76Å; D42-R126 PolarHBondContact OD1-NE 2.77Å; D42-R126 VanDerWaalsContact OD1-NE 3.13Å; S77-R126 PolarHBondContact O-NH1 3.39Å; R126-N128 VanDerWaalsContact C-N 3.3Å; R126-N128 PolarHBondContact O-N 3.42Å; R126-K129 PolarHBondContact N-O 3.06Å; R126-K129 WeakPolarHBondContact O-CA 3.49Å; R126-K129 WeakPolarHBondContact O-CB 3.48Å; R126-K129 PolarHBondContact O-N 3.27Å; R126-K129 VanDerWaalsContact O-O 3.14Å; R126-Y131 HydrophobicContact CB-CE2 4.4Å |
| 127 | H | 88.6 | Confident | 97.3 | Very high | 107 Ų | 107 | 10.2 Ų | 10.2 | 50% | 0.495 | 5% | 0.048 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 43.9 | 176.2 | -55.9 | 143.9 | 0 | 0 | 0 | 114.9 | K129 | H127-K129 PolarHBondContact O-N 2.98Š|
| 128 | N | 91 | Very high | 97.3 | Very high | 26 Ų | 26 | 10.2 Ų | 10.2 | 14% | 0.139 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 19.8 | -176.1 | -168.2 | 59.1 | 0 | 0 | 0 | 114.2 | R126 Q241 L242 | R126-N128 VanDerWaalsContact C-N 3.3Å; R126-N128 PolarHBondContact O-N 3.42Å; N128-Q241 PolarHBondContact ND2-NE2 2.99Å; N128-Q241 VanDerWaalsContact ND2-NE2 3.11Å; N128-Q241 PolarHBondContact O-NE2 3.46Å; N128-L242 PolarHBondContact ND2-O 3.49Å; N128-L242 VanDerWaalsContact O-CB 3.28Å; N128-L242 WeakPolarHBondContact O-CB 3.49Å; N128-L242 PolarHBondContact O-N 2.93Å |
| 129 | K | 95.6 | Very high | 97.3 | Very high | 36 Ų | 36 | 10.2 Ų | 10.2 | 16% | 0.157 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 152.9 | 173 | -63 | 176.4 | -179.1 | -173.2 | 0 | 109.9 | D80 I125 R126 H127 Y131 M239 V240 Q241 | D80-K129 IonicContact OD1-NZ 3.41Å; D80-K129 PolarHBondContact OD1-NZ 2.65Å; D80-K129 IonicContact OD2-NZ 2.77Å; D80-K129 PolarHBondContact OD2-NZ 3.29Å; I125-K129 WeakPolarHBondContact CA-O 3.45Å; R126-K129 PolarHBondContact N-O 3.06Å; R126-K129 WeakPolarHBondContact O-CA 3.49Å; R126-K129 WeakPolarHBondContact O-CB 3.48Å; R126-K129 PolarHBondContact O-N 3.27Å; R126-K129 VanDerWaalsContact O-O 3.14Å; H127-K129 PolarHBondContact O-N 2.98Å; K129-Y131 HydrophobicContact CB-CD2 4.44Å; K129-Y131 HydrophobicContact CB-CE2 3.83Å; K129-Y131 HydrophobicContact CD-CE2 4.4Å; K129-Y131 VanDerWaalsContact CD-OH 3.3Å; K129-Y131 WeakPolarHBondContact CD-OH 3.42Å; K129-M239 HydrophobicContact CB-CG 4.34Å; K129-M239 HydrophobicContact CB-SD 4.19Å; K129-M239 HydrophobicContact CD-CG 4.2Å; K129-M239 HydrophobicContact CD-SD 3.82Å; K129-M239 HydrophobicContact CG-SD 3.99Å; K129-V240 WeakPolarHBondContact CA-O 3.26Å; K129-Q241 VanDerWaalsContact CE-OE1 3.27Å |
| 130 | V | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.1 | 169.4 | -172.6 | 0 | 0 | 0 | 0 | 108 | A123 F124 I125 I132 M239 V240 L242 L249 | A123-V130 HydrophobicContact CB-CG1 3.93Å; F124-V130 CarbonylContact O-C 3.49Å; F124-V130 VanDerWaalsContact O-CA 3.3Å; F124-V130 WeakPolarHBondContact O-CA 3.33Å; I125-V130 HydrophobicContact CG1-CG2 4.29Å; V130-I132 HydrophobicContact CG1-CD1 4.38Å; V130-I132 HydrophobicContact CG1-CG1 4.01Å; V130-M239 CarbonylContact O-C 3.51Å; V130-M239 WeakPolarHBondContact O-CA 3.44Å; V130-V240 HydrophobicContact CB-CB 4.49Å; V130-V240 PolarHBondContact N-O 3.2Å; V130-V240 PolarHBondContact O-N 2.88Å; V130-L242 HydrophobicContact CG2-CD1 3.93Å; V130-L242 HydrophobicContact CG2-CD2 3.59Å; V130-L242 HydrophobicContact CG2-CG 3.75Å; V130-L249 HydrophobicContact CG1-CD2 4.25Å |
| 131 | Y | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 2% | 0.016 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.6 | 171.6 | -57.3 | -94.1 | 0 | 0 | 0 | 108.9 | D80 V83 L84 A123 F124 R126 K129 S238 M239 | D80-Y131 HydrophobicContact CB-CE1 4.09Å; D80-Y131 PolarHBondContact OD1-OH 3.33Å; V83-Y131 HydrophobicContact CB-CD1 4.05Å; V83-Y131 HydrophobicContact CB-CE1 3.85Å; V83-Y131 HydrophobicContact CG1-CD1 3.63Å; V83-Y131 HydrophobicContact CG1-CD2 4.17Å; V83-Y131 HydrophobicContact CG1-CE1 3.8Å; V83-Y131 HydrophobicContact CG1-CE2 4.31Å; V83-Y131 HydrophobicContact CG1-CG 3.82Å; V83-Y131 HydrophobicContact CG2-CE1 4.37Å; L84-Y131 HydrophobicContact CD2-CD1 3.95Å; L84-Y131 HydrophobicContact CG-CD1 4.39Å; A123-Y131 CarbonylContact C-O 3.53Å; A123-Y131 VanDerWaalsContact CA-O 3.3Å; A123-Y131 WeakPolarHBondContact CA-O 3.37Å; F124-Y131 PolarHBondContact N-O 3.4Å; F124-Y131 PolarHBondContact O-N 3.26Å; R126-Y131 HydrophobicContact CB-CE2 4.4Å; K129-Y131 HydrophobicContact CB-CD2 4.44Å; K129-Y131 HydrophobicContact CB-CE2 3.83Å; K129-Y131 HydrophobicContact CD-CE2 4.4Å; K129-Y131 VanDerWaalsContact CD-OH 3.3Å; K129-Y131 WeakPolarHBondContact CD-OH 3.42Å; Y131-S238 WeakPolarHBondContact CA-O 3.35Å; Y131-M239 HydrophobicContact CD1-CB 3.92Å; Y131-M239 HydrophobicContact CD1-CG 3.73Å; Y131-M239 HydrophobicContact CE1-CB 4.05Å; Y131-M239 HydrophobicContact CE1-CG 3.49Å; Y131-M239 VanDerWaalsContact CE1-CG 3.49Å; Y131-M239 HydrophobicContact CG-CG 4.46Å |
| 132 | I | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 10.4 Ų | 10.4 | 1% | 0.01 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.8 | -173.8 | -66.7 | 173.8 | 0 | 0 | 0 | 109.5 | V122 V130 H134 I140 L156 T157 V237 S238 | V122-I132 WeakPolarHBondContact O-CA 3.46Å; V130-I132 HydrophobicContact CG1-CD1 4.38Å; V130-I132 HydrophobicContact CG1-CG1 4.01Å; I132-H134 HydrophobicContact CG2-CB 4.31Å; I132-I140 HydrophobicContact CB-CD1 4.48Å; I132-I140 HydrophobicContact CD1-CD1 4.19Å; I132-I140 HydrophobicContact CD1-CG2 4.27Å; I132-I140 HydrophobicContact CG1-CD1 4.02Å; I132-I140 HydrophobicContact CG2-CD1 3.81Å; I132-L156 HydrophobicContact CD1-CB 3.64Å; I132-L156 HydrophobicContact CD1-CD1 3.65Å; I132-L156 HydrophobicContact CD1-CG 4.31Å; I132-T157 HydrophobicContact CG2-CG2 3.88Å; I132-V237 VanDerWaalsContact O-CA 3.25Å; I132-V237 WeakPolarHBondContact O-CA 3.38Å; I132-S238 PolarHBondContact N-O 2.75Å; I132-S238 PolarHBondContact O-N 2.9Å; I132-S238 VanDerWaalsContact O-N 3.15Å |
| 133 | G | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V122 D236 | V122-G133 WeakPolarHBondContact CG2-O 3.37Å; V122-G133 PolarHBondContact N-O 3.1Å; V122-G133 PolarHBondContact O-N 3.4Å; V122-G133 VanDerWaalsContact O-N 3.12Å; G133-D236 CarbonylContact C-O 3.53Å; G133-D236 WeakPolarHBondContact CA-O 3.31Å |
| 134 | H | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 127.4 | -172.8 | 179.5 | 51.9 | 0 | 0 | 0 | 113.9 | A120 S121 I132 G136 S138 T157 T158 H160 P235 D236 | A120-H134 CarbonylContact O-C 3.59Å; A120-H134 VanDerWaalsContact O-CA 3.26Å; A120-H134 WeakPolarHBondContact O-CA 3.37Å; S121-H134 PolarHBondContact OG-CE1 3.29Å; S121-H134 VanDerWaalsContact OG-CE1 3.28Å; S121-H134 PolarHBondContact OG-ND1 2.94Å; I132-H134 HydrophobicContact CG2-CB 4.31Å; H134-G136 PolarHBondContact CE1-O 2.94Å; H134-G136 PolarHBondContact NE2-O 3.48Å; H134-G136 VanDerWaalsContact NE2-O 3.09Å; H134-S138 PolarHBondContact CE1-O 3.18Å; H134-S138 PolarHBondContact ND1-O 3.07Å; H134-T157 HydrophobicContact CB-CG2 3.73Å; H134-T158 PolarHBondContact CD2-O 3.37Å; H134-T158 VanDerWaalsContact CD2-O 3.31Å; H134-T158 PolarHBondContact NE2-O 3.37Å; H134-H160 AromaticContact CD2-CE1 3.56Å; H134-H160 AromaticContact CD2-ND1 3.67Å; H134-H160 AromaticContact NE2-CE1 3.96Å; H134-H160 AromaticContact NE2-ND1 3.58Å; H134-H160 PolarHBondContact O-CE1 2.81Å; H134-P235 VanDerWaalsContact O-CA 3.31Å; H134-P235 WeakPolarHBondContact O-CA 3.5Å; H134-D236 PolarHBondContact N-O 3.02Å; H134-D236 PolarHBondContact O-N 3.26Å |
| 135 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.3 | 160.4 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | F91 T119 A120 R214 L216 P235 | F91-V135 HydrophobicContact CD1-CG1 4.3Å; F91-V135 HydrophobicContact CD1-CG2 4.39Å; F91-V135 HydrophobicContact CE1-CG1 4.27Å; F91-V135 HydrophobicContact CE1-CG2 4.02Å; T119-V135 WeakPolarHBondContact CA-O 3.48Å; T119-V135 WeakPolarHBondContact CB-O 3.46Å; A120-V135 HydrophobicContact CB-CG2 4.01Å; A120-V135 PolarHBondContact N-O 3.35Å; A120-V135 PolarHBondContact O-N 2.96Å; V135-R214 HydrophobicContact CB-CB 3.91Å; V135-R214 HydrophobicContact CG1-CB 4.14Å; V135-L216 HydrophobicContact CG2-CG 4.47Å; V135-P235 HydrophobicContact CG1-CB 4.04Å |
| 136 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 96.8 | -147.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H134 H160 R214 | H134-G136 PolarHBondContact CE1-O 2.94Å; H134-G136 PolarHBondContact NE2-O 3.48Å; H134-G136 VanDerWaalsContact NE2-O 3.09Å; G136-H160 PolarHBondContact N-ND1 2.96Å; G136-H160 PolarHBondContact O-N 3.48Å; G136-H160 PolarHBondContact O-ND1 3.33Å; G136-R214 WeakPolarHBondContact CA-O 3.37Å; G136-R214 PolarHBondContact N-O 3.3Å; G136-R214 VanDerWaalsContact N-O 3.15Å |
| 137 | D | 98.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -134 | 4.1 | -171.3 | 60.1 | -8 | 0 | 0 | 0 | 114.5 | T119 D159 K161 V212 | T119-D137 WeakPolarHBondContact CG2-OD1 3.29Å; D137-D159 HydrophobicContact CB-CB 4.16Å; D137-K161 HydrophobicContact CB-CD 4.11Å; D137-K161 VanDerWaalsContact CB-NZ 3.26Å; D137-K161 IonicContact OD2-NZ 3.03Å; D137-K161 PolarHBondContact OD2-NZ 3.35Å; D137-V212 HydrophobicContact CB-CG1 4.02Å; D137-V212 WeakPolarHBondContact OD1-CG1 3.46Å; D137-V212 VanDerWaalsContact OD2-CG1 3.28Å; D137-V212 WeakPolarHBondContact OD2-CG1 3.46Å |
| 138 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -61.2 | 146.8 | 153.7 | -59.1 | 0 | 0 | 0 | 0 | 108.9 | D50 T119 S121 H134 G252 | D50-S138 VanDerWaalsContact CB-OG 3.3Å; D50-S138 WeakPolarHBondContact CB-OG 3.13Å; T119-S138 PolarHBondContact OG1-OG 2.82Å; S121-S138 VanDerWaalsContact OG-C 3.32Å; S121-S138 WeakPolarHBondContact OG-CB 3.24Å; S121-S138 PolarHBondContact OG-O 3.05Å; H134-S138 PolarHBondContact CE1-O 3.18Å; H134-S138 PolarHBondContact ND1-O 3.07Å; S138-G252 CarbonylContact C-O 3.47Å; S138-G252 VanDerWaalsContact CA-O 3.25Å; S138-G252 WeakPolarHBondContact CA-O 3.42Å; S138-G252 VanDerWaalsContact CB-O 3.29Å; S138-G252 WeakPolarHBondContact CB-O 3.46Å | ||
| 139 | A | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 155.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K155 T157 I251 G252 W257 | A139-K155 HydrophobicContact CB-CD 3.98Å; A139-K155 HydrophobicContact CB-CG 4.44Å; A139-T157 VanDerWaalsContact CA-OG1 3.29Å; A139-T157 WeakPolarHBondContact CA-OG1 3.46Å; A139-T157 WeakPolarHBondContact CB-OG1 3.44Å; A139-I251 WeakPolarHBondContact O-CA 3.38Å; A139-G252 PolarHBondContact N-O 3.12Å; A139-G252 PolarHBondContact O-N 3.04Å; A139-W257 HydrophobicContact CB-CD2 4.14Å; A139-W257 HydrophobicContact CB-CG 4.09Å; A139-W257 HydrophobicContact CB-CZ2 4.39Å; A139-W257 WeakPolarHBondContact O-CZ2 3.19Å; A139-W257 PolarHBondContact O-NE1 3.36Å; A139-W257 VanDerWaalsContact O-NE1 3.17Å |
| 140 | I | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.9 | 171.4 | -52.1 | -176.2 | 0 | 0 | 0 | 107.6 | V122 A123 I132 K155 L156 T157 L249 V250 I251 | V122-I140 WeakPolarHBondContact O-CD1 3.3Å; A123-I140 HydrophobicContact CB-CD1 4.16Å; I132-I140 HydrophobicContact CB-CD1 4.48Å; I132-I140 HydrophobicContact CD1-CD1 4.19Å; I132-I140 HydrophobicContact CD1-CG2 4.27Å; I132-I140 HydrophobicContact CG1-CD1 4.02Å; I132-I140 HydrophobicContact CG2-CD1 3.81Å; I140-K155 CarbonylContact O-C 3.49Å; I140-K155 WeakPolarHBondContact O-CA 3.44Å; I140-L156 HydrophobicContact CG2-CD1 4.3Å; I140-L156 PolarHBondContact O-N 2.84Å; I140-T157 HydrophobicContact CB-CG2 4Å; I140-T157 HydrophobicContact CD1-CG2 4.28Å; I140-T157 HydrophobicContact CG1-CG2 3.97Å; I140-T157 PolarHBondContact N-OG1 3.05Å; I140-T157 VanDerWaalsContact N-OG1 3.1Å; I140-L249 HydrophobicContact CG2-CD1 3.63Å; I140-L249 HydrophobicContact CG2-CD2 4.32Å; I140-L249 HydrophobicContact CG2-CG 3.97Å; I140-V250 CarbonylContact C-O 3.57Å; I140-V250 WeakPolarHBondContact CA-O 3.29Å; I140-I251 HydrophobicContact CD1-CD1 4.25Å; I140-I251 HydrophobicContact CD1-CG1 4.41Å; I140-I251 HydrophobicContact CG1-CB 4.48Å; I140-I251 HydrophobicContact CG1-CD1 4.38Å; I140-I251 HydrophobicContact CG1-CG1 4.02Å; I140-I251 HydrophobicContact CG1-CG2 4.05Å; I140-I251 HydrophobicContact CG2-CG1 4.19Å |
| 141 | A | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | S154 L249 V250 W257 A262 | A141-S154 CarbonylContact C-O 3.45Å; A141-S154 VanDerWaalsContact CA-O 3.3Å; A141-S154 WeakPolarHBondContact CA-O 3.25Å; A141-L249 CarbonylContact O-C 3.59Å; A141-L249 WeakPolarHBondContact O-CA 3.32Å; A141-V250 PolarHBondContact N-O 2.78Å; A141-V250 PolarHBondContact O-N 2.82Å; A141-W257 HydrophobicContact CB-CH2 3.58Å; A141-W257 HydrophobicContact CB-CZ2 4.23Å; A141-W257 HydrophobicContact CB-CZ3 4.32Å; A141-A262 HydrophobicContact CB-CB 3.88Å |
| 142 | I | 98.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.1 | 173.2 | -162.1 | 165.9 | 0 | 0 | 0 | 109.6 | G153 S154 L156 L242 D246 C248 L249 | I142-G153 WeakPolarHBondContact O-CA 3.5Å; I142-S154 WeakPolarHBondContact CG2-OG 3.33Å; I142-S154 PolarHBondContact N-O 2.95Å; I142-S154 PolarHBondContact O-N 2.86Å; I142-L156 HydrophobicContact CB-CD1 4Å; I142-L156 HydrophobicContact CB-CD2 4.28Å; I142-L156 HydrophobicContact CB-CG 4.13Å; I142-L156 HydrophobicContact CG2-CD1 4.36Å; I142-L156 HydrophobicContact CG2-CD2 3.71Å; I142-L156 HydrophobicContact CG2-CG 4.05Å; I142-L242 HydrophobicContact CD1-CD2 4.01Å; I142-D246 HydrophobicContact CD1-CB 4.04Å; I142-D246 VanDerWaalsContact CD1-CG 3.45Å; I142-D246 WeakPolarHBondContact CD1-OD1 3.46Å; I142-D246 HydrophobicContact CG1-CB 4.42Å; I142-C248 WeakPolarHBondContact CG1-O 3.26Å; I142-L249 HydrophobicContact CB-CD1 4.34Å; I142-L249 HydrophobicContact CG1-CD1 4.48Å |
| 143 | G | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V247 C248 V266 | G143-V247 WeakPolarHBondContact O-CG2 3.35Å; G143-V247 PolarHBondContact O-N 3.09Å; G143-C248 PolarHBondContact N-O 3.17Å; G143-C248 PolarHBondContact O-N 2.96Å; G143-V266 VanDerWaalsContact CA-CG2 3.47Å |
| 144 | K | 95.7 | Very high | 95.5 | Very high | 59 Ų | 59 | 32.4 Ų | 32.4 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 141.1 | 174.3 | -66.7 | -178.3 | 174.6 | -154.5 | 0 | 110.2 | F146 V151 V152 D245 D246 | K144-F146 HydrophobicContact CB-CZ 4.46Å; K144-V151 CarbonylContact O-C 3.58Å; K144-V151 WeakPolarHBondContact O-CA 3.29Å; K144-V151 WeakPolarHBondContact O-CB 3.48Å; K144-V152 PolarHBondContact N-O 3.03Å; K144-V152 PolarHBondContact O-N 2.87Å; K144-D245 CarbonylContact C-O 3.5Å; K144-D245 VanDerWaalsContact CA-O 3.29Å; K144-D245 WeakPolarHBondContact CA-O 3.38Å; K144-D245 IonicContact NZ-OD2 3.37Å; K144-D246 WeakPolarHBondContact CE-OD1 3.45Å; K144-D246 VanDerWaalsContact CG-OD1 3.27Å; K144-D246 WeakPolarHBondContact CG-OD1 3.35Å |
| 145 | R | 92.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 36 Ų | 36 | 21% | 0.211 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124 | 172.7 | -170.4 | 171 | -174.7 | -79.1 | 4.4 | 110.8 | S150 V151 D245 V247 N270 D276 | R145-S150 WeakPolarHBondContact CA-O 3.38Å; R145-V151 HydrophobicContact CB-CG1 3.87Å; R145-V151 HydrophobicContact CG-CG1 3.73Å; R145-D245 PolarHBondContact N-O 2.92Å; R145-V247 HydrophobicContact CB-CB 4.42Å; R145-V247 HydrophobicContact CB-CG1 3.65Å; R145-V247 HydrophobicContact CB-CG2 3.89Å; R145-N270 PolarHBondContact NE-OD1 2.85Å; R145-D276 IonicContact CZ-OD2 2.86Å; R145-D276 IonicContact NH2-OD2 3.3Å; R145-D276 PolarHBondContact NH2-OD2 3.45Å |
| 146 | F | 91.5 | Very high | 95.5 | Very high | 72 Ų | 72 | 38 Ų | 38 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | trans | -89.2 | 164 | -179.6 | -62.4 | -71.6 | 0 | 0 | 0 | 111.7 | K144 D148 G149 S150 V152 | K144-F146 HydrophobicContact CB-CZ 4.46Å; F146-D148 WeakPolarHBondContact CB-OD1 3.37Å; F146-D148 PolarHBondContact O-N 3.21Å; F146-G149 PolarHBondContact O-N 2.91Å; F146-S150 PolarHBondContact N-O 3.45Å; F146-V152 HydrophobicContact CE2-CB 4.08Å; F146-V152 HydrophobicContact CE2-CG2 3.72Å | ||
| 147 | P | 88 | Confident | 95.5 | Very high | 139 Ų | 139 | 38.6 Ų | 38.6 | 90% | 0.903 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.9 | -178.9 | -27.2 | 36.5 | 0 | 0 | 0 | 115.2 | G149 | P147-G149 PolarHBondContact O-N 2.96Š|
| 148 | D | 88.3 | Confident | 95.5 | Very high | 129 Ų | 129 | 43 Ų | 43 | 69% | 0.69 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -0.9 | 176 | 67.1 | -7.4 | 0 | 0 | 0 | 113.4 | F146 S150 | F146-D148 WeakPolarHBondContact CB-OD1 3.37Å; F146-D148 PolarHBondContact O-N 3.21Å; D148-S150 VanDerWaalsContact C-N 3.3Å; D148-S150 VanDerWaalsContact OD1-CB 3.25Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.8Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; D148-S150 PolarHBondContact OD2-OG 3.43Å |
| 149 | G | 85.7 | Confident | 95.5 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 85.8 | -4.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F146 P147 | F146-G149 PolarHBondContact O-N 2.91Å; P147-G149 PolarHBondContact O-N 2.96Å |
| 150 | S | 90.2 | Very high | 95.5 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -68.4 | 149.9 | 174.4 | 69.7 | 0 | 0 | 0 | 0 | 111.3 | R145 F146 D148 | R145-S150 WeakPolarHBondContact CA-O 3.38Å; F146-S150 PolarHBondContact N-O 3.45Å; D148-S150 VanDerWaalsContact C-N 3.3Å; D148-S150 VanDerWaalsContact OD1-CB 3.25Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.8Å; D148-S150 PolarHBondContact OD1-OG 2.87Å; D148-S150 PolarHBondContact OD2-OG 3.43Å | ||
| 151 | V | 93.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.1 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | K144 R145 Q263 V266 E267 N270 | K144-V151 CarbonylContact O-C 3.58Å; K144-V151 WeakPolarHBondContact O-CA 3.29Å; K144-V151 WeakPolarHBondContact O-CB 3.48Å; R145-V151 HydrophobicContact CB-CG1 3.87Å; R145-V151 HydrophobicContact CG-CG1 3.73Å; V151-Q263 PolarHBondContact O-NE2 2.8Å; V151-V266 HydrophobicContact CB-CG1 3.79Å; V151-V266 HydrophobicContact CG1-CG1 4.43Å; V151-V266 HydrophobicContact CG2-CG1 4.02Å; V151-E267 HydrophobicContact CG2-CG 4.13Å; V151-N270 HydrophobicContact CB-CB 4.49Å; V151-N270 HydrophobicContact CG1-CB 3.82Å; V151-N270 VanDerWaalsContact CG1-OD1 3.24Å; V151-N270 WeakPolarHBondContact CG1-OD1 3.47Å; V151-N270 HydrophobicContact CG2-CB 3.95Å |
| 152 | V | 97.2 | Very high | 95.4 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 40% | 0.4 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.9 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | K144 F146 | K144-V152 PolarHBondContact N-O 3.03Å; K144-V152 PolarHBondContact O-N 2.87Å; F146-V152 HydrophobicContact CE2-CB 4.08Å; F146-V152 HydrophobicContact CE2-CG2 3.72Å |
| 153 | G | 98.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | I142 | I142-G153 WeakPolarHBondContact O-CA 3.5Å |
| 154 | S | 98.4 | Very high | 95.3 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 35% | 0.35 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.4 | 177.4 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | A141 I142 | A141-S154 CarbonylContact C-O 3.45Å; A141-S154 VanDerWaalsContact CA-O 3.3Å; A141-S154 WeakPolarHBondContact CA-O 3.25Å; I142-S154 WeakPolarHBondContact CG2-OG 3.33Å; I142-S154 PolarHBondContact N-O 2.95Å; I142-S154 PolarHBondContact O-N 2.86Å |
| 155 | K | 98.5 | Very high | 95.4 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 139.3 | 169.3 | -74.4 | -171.3 | 170.4 | -169.6 | 0 | 109.9 | A139 I140 D159 A262 | A139-K155 HydrophobicContact CB-CD 3.98Å; A139-K155 HydrophobicContact CB-CG 4.44Å; I140-K155 CarbonylContact O-C 3.49Å; I140-K155 WeakPolarHBondContact O-CA 3.44Å; K155-D159 VanDerWaalsContact NZ-CG 3.35Å; K155-D159 IonicContact NZ-OD1 3.43Å; K155-D159 PolarHBondContact NZ-OD1 2.98Å; K155-D159 IonicContact NZ-OD2 3.18Å; K155-D159 PolarHBondContact NZ-OD2 3.11Å; K155-A262 HydrophobicContact CG-CB 4.31Å |
| 156 | L | 98.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 23% | 0.225 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -97 | -13.1 | 171.7 | -63.2 | -176.2 | 0 | 0 | 0 | 112.3 | I132 I140 I142 V240 L249 | I132-L156 HydrophobicContact CD1-CB 3.64Å; I132-L156 HydrophobicContact CD1-CD1 3.65Å; I132-L156 HydrophobicContact CD1-CG 4.31Å; I140-L156 HydrophobicContact CG2-CD1 4.3Å; I140-L156 PolarHBondContact O-N 2.84Å; I142-L156 HydrophobicContact CB-CD1 4Å; I142-L156 HydrophobicContact CB-CD2 4.28Å; I142-L156 HydrophobicContact CB-CG 4.13Å; I142-L156 HydrophobicContact CG2-CD1 4.36Å; I142-L156 HydrophobicContact CG2-CD2 3.71Å; I142-L156 HydrophobicContact CG2-CG 4.05Å; L156-V240 HydrophobicContact CD1-CG2 4.18Å; L156-V240 HydrophobicContact CD2-CG2 4.15Å; L156-L249 HydrophobicContact CD1-CD1 3.85Å |
| 157 | T | 98.7 | Very high | 96 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -114.1 | 151.3 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 111 | I132 H134 A139 I140 | I132-T157 HydrophobicContact CG2-CG2 3.88Å; H134-T157 HydrophobicContact CB-CG2 3.73Å; A139-T157 VanDerWaalsContact CA-OG1 3.29Å; A139-T157 WeakPolarHBondContact CA-OG1 3.46Å; A139-T157 WeakPolarHBondContact CB-OG1 3.44Å; I140-T157 HydrophobicContact CB-CG2 4Å; I140-T157 HydrophobicContact CD1-CG2 4.28Å; I140-T157 HydrophobicContact CG1-CG2 3.97Å; I140-T157 PolarHBondContact N-OG1 3.05Å; I140-T157 VanDerWaalsContact N-OG1 3.1Å |
| 158 | T | 98.4 | Very high | 96.4 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 62% | 0.62 | 29% | 0.294 | S | S | * | . | trans | -104.8 | 126.6 | 169.4 | -60.1 | 0 | 0 | 0 | 0 | 108.6 | H134 | H134-T158 PolarHBondContact CD2-O 3.37Å; H134-T158 VanDerWaalsContact CD2-O 3.31Å; H134-T158 PolarHBondContact NE2-O 3.37Å | ||
| 159 | D | 98.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 21% | 0.214 | 29% | 0.286 | C | S | . | . | trans | -63.2 | 140.3 | 178.6 | -52.8 | -1.4 | 0 | 0 | 0 | 109.7 | D137 K155 K161 | D137-D159 HydrophobicContact CB-CB 4.16Å; K155-D159 VanDerWaalsContact NZ-CG 3.35Å; K155-D159 IonicContact NZ-OD1 3.43Å; K155-D159 PolarHBondContact NZ-OD1 2.98Å; K155-D159 IonicContact NZ-OD2 3.18Å; K155-D159 PolarHBondContact NZ-OD2 3.11Å; D159-K161 HydrophobicContact CB-CG 4.19Å | ||
| 160 | H | 98.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | trans | -99.3 | 87.2 | 178 | -62.3 | 105 | 0 | 0 | 0 | 111.1 | H134 G136 A213 R214 D236 | H134-H160 AromaticContact CD2-CE1 3.56Å; H134-H160 AromaticContact CD2-ND1 3.67Å; H134-H160 AromaticContact NE2-CE1 3.96Å; H134-H160 AromaticContact NE2-ND1 3.58Å; H134-H160 PolarHBondContact O-CE1 2.81Å; G136-H160 PolarHBondContact N-ND1 2.96Å; G136-H160 PolarHBondContact O-N 3.48Å; G136-H160 PolarHBondContact O-ND1 3.33Å; H160-A213 PolarHBondContact O-N 3.39Å; H160-R214 HydrophobicContact CB-CB 3.96Å; H160-R214 HydrophobicContact CB-CG 3.91Å; H160-R214 VanDerWaalsContact CD2-CD 3.48Å; H160-R214 WeakPolarHBondContact CD2-CD 3.41Å; H160-R214 PolarHBondContact CD2-NE 3.26Å; H160-R214 PolarHBondContact NE2-NH1 3.42Å; H160-D236 IonicContact CE1-OD2 3.48Å; H160-D236 IonicContact NE2-OD1 2.97Å; H160-D236 IonicContact NE2-OD2 3.25Å; H160-D236 PolarHBondContact NE2-OD2 3.12Å | ||
| 161 | K | 98 | Very high | 97.9 | Very high | 43 Ų | 43 | 51.3 Ų | 51.3 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | trans | -104.2 | 146.2 | -175.5 | -57.6 | -69.7 | -169.4 | 168.9 | 0 | 112.1 | D137 D159 D163 D164 | D137-K161 HydrophobicContact CB-CD 4.11Å; D137-K161 VanDerWaalsContact CB-NZ 3.26Å; D137-K161 IonicContact OD2-NZ 3.03Å; D137-K161 PolarHBondContact OD2-NZ 3.35Å; D159-K161 HydrophobicContact CB-CG 4.19Å; K161-D163 WeakPolarHBondContact CB-OD1 3.31Å; K161-D163 PolarHBondContact O-N 2.84Å; K161-D163 VanDerWaalsContact O-N 3.09Å; K161-D164 WeakPolarHBondContact CA-OD2 3.33Å; K161-D164 WeakPolarHBondContact CB-OD2 3.3Å; K161-D164 PolarHBondContact N-OD2 2.89Å; K161-D164 WeakPolarHBondContact O-CB 3.47Å; K161-D164 PolarHBondContact O-N 2.61Å | ||
| 162 | P | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.1 | 178 | -24.2 | 35.5 | 0 | 0 | 0 | 115.1 | Q168 V178 K185 V187 A211 A213 | P162-Q168 WeakPolarHBondContact O-CG 3.32Å; P162-Q168 PolarHBondContact O-NE2 2.86Å; P162-V178 HydrophobicContact CB-CG1 3.8Å; P162-V178 HydrophobicContact CB-CG2 4.03Å; P162-V178 WeakPolarHBondContact O-CG1 3.48Å; P162-K185 HydrophobicContact CB-CB 4.35Å; P162-V187 HydrophobicContact CB-CG2 4.22Å; P162-V187 HydrophobicContact CG-CG2 3.82Å; P162-A211 WeakPolarHBondContact CD-O 3.36Å; P162-A213 HydrophobicContact CG-CB 4.42Å |
| 163 | D | 96.2 | Very high | 98.2 | Very high | 95 Ų | 95 | 62 Ų | 62 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -10.2 | 172 | 57.6 | -31.9 | 0 | 0 | 0 | 114.2 | K161 K185 | K161-D163 WeakPolarHBondContact CB-OD1 3.31Å; K161-D163 PolarHBondContact O-N 2.84Å; K161-D163 VanDerWaalsContact O-N 3.09Å; D163-K185 HydrophobicContact CB-CB 3.98Å; D163-K185 HydrophobicContact CB-CG 3.88Å |
| 164 | D | 97.9 | Very high | 98.1 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -67.1 | 128.2 | 176 | -64.6 | -40.5 | 0 | 0 | 0 | 110.5 | K161 E166 E167 Q168 | K161-D164 WeakPolarHBondContact CA-OD2 3.33Å; K161-D164 WeakPolarHBondContact CB-OD2 3.3Å; K161-D164 PolarHBondContact N-OD2 2.89Å; K161-D164 WeakPolarHBondContact O-CB 3.47Å; K161-D164 PolarHBondContact O-N 2.61Å; D164-E166 PolarHBondContact O-N 2.81Å; D164-E166 VanDerWaalsContact O-N 3.15Å; D164-E167 HydrophobicContact CB-CB 4.16Å; D164-E167 HydrophobicContact CB-CG 4.24Å; D164-E167 PolarHBondContact O-N 2.99Å; D164-E167 VanDerWaalsContact O-N 3.16Å; D164-Q168 WeakPolarHBondContact O-CG 3.42Å; D164-Q168 PolarHBondContact O-N 3.36Å |
| 165 | P | 98 | Very high | 98.1 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.4 | -31.6 | -175.3 | -27.8 | 35.2 | 0 | 0 | 0 | 114.3 | R169 | P165-R169 WeakPolarHBondContact O-CG 3.44Å; P165-R169 PolarHBondContact O-N 2.73Å; P165-R169 PolarHBondContact O-NH1 2.89Å; P165-R169 VanDerWaalsContact O-NH1 3.09Å |
| 166 | E | 97.6 | Very high | 98 | Very high | 129 Ų | 129 | 62.2 Ų | 62.2 | 60% | 0.603 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -71.9 | -46.6 | 177 | -172.6 | 171.3 | 176.4 | 0 | 0 | 111.8 | D164 Q168 R169 R170 | D164-E166 PolarHBondContact O-N 2.81Å; D164-E166 VanDerWaalsContact O-N 3.15Å; E166-Q168 VanDerWaalsContact C-N 3.33Å; E166-Q168 PolarHBondContact O-N 3.08Å; E166-R169 PolarHBondContact O-N 3.26Å; E166-R170 PolarHBondContact O-N 2.9Å |
| 167 | E | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.028 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 175.9 | -70.1 | -59.2 | 108.1 | 0 | 0 | 112 | D164 R169 R170 I171 A213 R214 | D164-E167 HydrophobicContact CB-CB 4.16Å; D164-E167 HydrophobicContact CB-CG 4.24Å; D164-E167 PolarHBondContact O-N 2.99Å; D164-E167 VanDerWaalsContact O-N 3.16Å; E167-R169 PolarHBondContact O-N 3.18Å; E167-R170 PolarHBondContact O-N 3.22Å; E167-R170 IonicContact OE1-NE 2.6Å; E167-R170 PolarHBondContact OE1-NE 2.91Å; E167-R170 IonicContact OE2-CZ 3.32Å; E167-R170 VanDerWaalsContact OE2-CZ 3.3Å; E167-R170 IonicContact OE2-NE 3.97Å; E167-R170 PolarHBondContact OE2-NE 3.08Å; E167-R170 IonicContact OE2-NH2 3.77Å; E167-R170 PolarHBondContact OE2-NH2 3.37Å; E167-I171 WeakPolarHBondContact O-CB 3.47Å; E167-I171 WeakPolarHBondContact O-CD1 3.42Å; E167-I171 VanDerWaalsContact O-CG1 3.22Å; E167-I171 WeakPolarHBondContact O-CG1 3.26Å; E167-I171 PolarHBondContact O-N 3.12Å; E167-A213 HydrophobicContact CB-CB 3.74Å; E167-A213 HydrophobicContact CG-CB 3.82Å; E167-A213 VanDerWaalsContact OE2-CB 3.27Å; E167-A213 WeakPolarHBondContact OE2-CB 3.47Å; E167-R214 IonicContact OE1-CZ 3.97Å; E167-R214 VanDerWaalsContact OE1-CZ 3.29Å; E167-R214 IonicContact OE1-NE 3.01Å; E167-R214 PolarHBondContact OE1-NE 3.4Å; E167-R214 IonicContact OE1-NH2 3.1Å; E167-R214 PolarHBondContact OE1-NH2 3.21Å; E167-R214 VanDerWaalsContact OE2-CG 3.23Å; E167-R214 WeakPolarHBondContact OE2-CG 3.34Å; E167-R214 IonicContact OE2-NE 3.73Å; E167-R214 PolarHBondContact OE2-NE 3.47Å |
| 168 | Q | 98 | Very high | 97.9 | Very high | 71 Ų | 71 | 64 Ų | 64 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 173.7 | -76.7 | -173.9 | -10 | 0 | 0 | 112.7 | P162 D164 E166 W172 V178 | P162-Q168 WeakPolarHBondContact O-CG 3.32Å; P162-Q168 PolarHBondContact O-NE2 2.86Å; D164-Q168 WeakPolarHBondContact O-CG 3.42Å; D164-Q168 PolarHBondContact O-N 3.36Å; E166-Q168 VanDerWaalsContact C-N 3.33Å; E166-Q168 PolarHBondContact O-N 3.08Å; Q168-W172 WeakPolarHBondContact O-CB 3.29Å; Q168-W172 PolarHBondContact O-N 3.21Å; Q168-V178 HydrophobicContact CG-CG2 4.39Å |
| 169 | R | 98.5 | Very high | 97.9 | Very high | 139 Ų | 139 | 61.6 Ų | 61.6 | 53% | 0.525 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 175.7 | -74.9 | -171.9 | -57.9 | -87.1 | 3.4 | 110.8 | P165 E166 E167 I171 W172 E173 | P165-R169 WeakPolarHBondContact O-CG 3.44Å; P165-R169 PolarHBondContact O-N 2.73Å; P165-R169 PolarHBondContact O-NH1 2.89Å; P165-R169 VanDerWaalsContact O-NH1 3.09Å; E166-R169 PolarHBondContact O-N 3.26Å; E167-R169 PolarHBondContact O-N 3.18Å; R169-I171 PolarHBondContact O-N 3.4Å; R169-W172 PolarHBondContact O-N 3.34Å; R169-E173 VanDerWaalsContact O-CG 3.32Å; R169-E173 WeakPolarHBondContact O-CG 3.38Å; R169-E173 PolarHBondContact O-N 3.14Å |
| 170 | R | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 62.8 Ų | 62.8 | 12% | 0.121 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.5 | -50.5 | 177.4 | -174 | -170.4 | 64.2 | 71 | 2.6 | 111.4 | E166 E167 W172 E173 R174 A213 V230 | E166-R170 PolarHBondContact O-N 2.9Å; E167-R170 PolarHBondContact O-N 3.22Å; E167-R170 IonicContact OE1-NE 2.6Å; E167-R170 PolarHBondContact OE1-NE 2.91Å; E167-R170 IonicContact OE2-CZ 3.32Å; E167-R170 VanDerWaalsContact OE2-CZ 3.3Å; E167-R170 IonicContact OE2-NE 3.97Å; E167-R170 PolarHBondContact OE2-NE 3.08Å; E167-R170 IonicContact OE2-NH2 3.77Å; E167-R170 PolarHBondContact OE2-NH2 3.37Å; R170-W172 VanDerWaalsContact C-N 3.33Å; R170-W172 PolarHBondContact O-N 3.33Å; R170-E173 PolarHBondContact O-N 2.88Å; R170-R174 WeakPolarHBondContact O-CG 3.39Å; R170-R174 PolarHBondContact O-N 3.38Å; R170-R174 VanDerWaalsContact O-N 3.09Å; R170-A213 PolarHBondContact NH2-O 3.15Å; R170-V230 PolarHBondContact NH1-O 2.89Å; R170-V230 PolarHBondContact NH2-O 3Å |
| 171 | I | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.6 | -47.6 | 178.7 | -75 | 163.8 | 0 | 0 | 0 | 110.5 | E167 R169 R174 G175 G176 V178 V187 A213 V230 | E167-I171 WeakPolarHBondContact O-CB 3.47Å; E167-I171 WeakPolarHBondContact O-CD1 3.42Å; E167-I171 VanDerWaalsContact O-CG1 3.22Å; E167-I171 WeakPolarHBondContact O-CG1 3.26Å; E167-I171 PolarHBondContact O-N 3.12Å; R169-I171 PolarHBondContact O-N 3.4Å; I171-R174 CarbonylContact O-C 3.4Å; I171-R174 PolarHBondContact O-N 3.25Å; I171-G175 PolarHBondContact O-N 3.28Å; I171-G176 WeakPolarHBondContact O-CA 3.38Å; I171-G176 PolarHBondContact O-N 3.12Å; I171-V178 HydrophobicContact CD1-CG2 3.84Å; I171-V178 HydrophobicContact CG2-CG2 4.03Å; I171-V187 HydrophobicContact CD1-CG2 3.86Å; I171-A213 HydrophobicContact CD1-CB 3.99Å; I171-V230 HydrophobicContact CB-CG1 4.4Å; I171-V230 HydrophobicContact CG1-CG1 4.26Å; I171-V230 HydrophobicContact CG2-CG1 3.82Å |
| 172 | W | 97.9 | Very high | 97.4 | Very high | 188 Ų | 188 | 71.6 Ų | 71.6 | 71% | 0.712 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 178.4 | 177 | -94.7 | 0 | 0 | 0 | 112.6 | Q168 R169 R170 R174 G175 | Q168-W172 WeakPolarHBondContact O-CB 3.29Å; Q168-W172 PolarHBondContact O-N 3.21Å; R169-W172 PolarHBondContact O-N 3.34Å; R170-W172 VanDerWaalsContact C-N 3.33Å; R170-W172 PolarHBondContact O-N 3.33Å; W172-R174 PolarHBondContact O-N 3.5Å; W172-G175 WeakPolarHBondContact O-CA 3.14Å; W172-G175 PolarHBondContact O-N 2.89Å |
| 173 | E | 97.8 | Very high | 97.1 | Very high | 118 Ų | 118 | 75 Ų | 75 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.6 | -30.6 | 179.5 | -73.6 | 170 | -178.8 | 0 | 0 | 112.7 | R169 R170 G175 K226 | R169-E173 VanDerWaalsContact O-CG 3.32Å; R169-E173 WeakPolarHBondContact O-CG 3.38Å; R169-E173 PolarHBondContact O-N 3.14Å; R170-E173 PolarHBondContact O-N 2.88Å; E173-G175 PolarHBondContact O-N 2.91Å; E173-K226 VanDerWaalsContact O-CE 3.24Å; E173-K226 WeakPolarHBondContact O-CE 3.48Å; E173-K226 PolarHBondContact O-NZ 3.16Å |
| 174 | R | 97.4 | Very high | 97.1 | Very high | 88 Ų | 88 | 73.8 Ų | 73.8 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 11.1 | 171.7 | -56.1 | -48.9 | -177.3 | 124.8 | 22.2 | 113.7 | R170 I171 W172 G176 N223 D228 V230 | R170-R174 WeakPolarHBondContact O-CG 3.39Å; R170-R174 PolarHBondContact O-N 3.38Å; R170-R174 VanDerWaalsContact O-N 3.09Å; I171-R174 CarbonylContact O-C 3.4Å; I171-R174 PolarHBondContact O-N 3.25Å; W172-R174 PolarHBondContact O-N 3.5Å; R174-G176 PolarHBondContact O-N 3.1Å; R174-N223 PolarHBondContact O-ND2 3.12Å; R174-D228 IonicContact CZ-OD2 3.7Å; R174-D228 IonicContact NE-OD2 3.26Å; R174-D228 VanDerWaalsContact NH1-CG 3.26Å; R174-D228 IonicContact NH1-OD2 3.29Å; R174-D228 PolarHBondContact NH1-OD2 3.48Å; R174-D228 IonicContact NH2-OD2 4Å; R174-D228 PolarHBondContact NH2-OD2 3.5Å; R174-V230 HydrophobicContact CB-CG2 4.41Å |
| 175 | G | 96.6 | Very high | 97.1 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 15.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I171 W172 E173 | I171-G175 PolarHBondContact O-N 3.28Å; W172-G175 WeakPolarHBondContact O-CA 3.14Å; W172-G175 PolarHBondContact O-N 2.89Å; E173-G175 PolarHBondContact O-N 2.91Å |
| 176 | G | 97.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 74.5 Ų | 74.5 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | trans | -84.9 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I171 R174 | I171-G176 WeakPolarHBondContact O-CA 3.38Å; I171-G176 PolarHBondContact O-N 3.12Å; R174-G176 PolarHBondContact O-N 3.1Å | ||
| 177 | E | 97.2 | Very high | 97.1 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | trans | -143 | 152.7 | 179 | -176 | 176.3 | 179.2 | 0 | 0 | 109.8 | M179 V188 K206 | E177-M179 HydrophobicContact CG-CG 4.36Å; E177-V188 HydrophobicContact CB-CB 4.15Å; E177-V188 HydrophobicContact CB-CG2 4.06Å; E177-V188 HydrophobicContact CG-CG2 4.15Å; E177-V188 WeakPolarHBondContact O-CB 3.2Å; E177-V188 WeakPolarHBondContact O-CG2 3.37Å; E177-V188 PolarHBondContact O-N 3.17Å; E177-K206 WeakPolarHBondContact OE2-CD 3.38Å; E177-K206 WeakPolarHBondContact OE2-CE 3.5Å; E177-K206 IonicContact OE2-NZ 2.65Å; E177-K206 PolarHBondContact OE2-NZ 3.31Å | ||
| 178 | V | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 18% | 0.176 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.8 | 172.4 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | P162 Q168 I171 K185 R186 | P162-V178 HydrophobicContact CB-CG1 3.8Å; P162-V178 HydrophobicContact CB-CG2 4.03Å; P162-V178 WeakPolarHBondContact O-CG1 3.48Å; Q168-V178 HydrophobicContact CG-CG2 4.39Å; I171-V178 HydrophobicContact CD1-CG2 3.84Å; I171-V178 HydrophobicContact CG2-CG2 4.03Å; V178-K185 HydrophobicContact CG1-CB 3.84Å; V178-K185 HydrophobicContact CG1-CD 3.86Å; V178-K185 HydrophobicContact CG1-CG 4.4Å; V178-R186 WeakPolarHBondContact CA-O 3.38Å |
| 179 | M | 97.8 | Very high | 97 | Very high | 50 Ų | 50 | 65.9 Ų | 65.9 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.9 | 176.2 | -73.9 | -168.4 | -48.7 | 0 | 0 | 111.2 | E177 R186 V188 K206 P208 | E177-M179 HydrophobicContact CG-CG 4.36Å; M179-R186 PolarHBondContact N-O 3.2Å; M179-R186 PolarHBondContact O-N 3.47Å; M179-V188 HydrophobicContact CB-CG2 3.71Å; M179-V188 HydrophobicContact CE-CB 4.41Å; M179-V188 HydrophobicContact CE-CG1 3.95Å; M179-V188 HydrophobicContact CE-CG2 3.53Å; M179-V188 HydrophobicContact CG-CG2 3.54Å; M179-V188 HydrophobicContact SD-CG2 4.14Å; M179-K206 HydrophobicContact CE-CB 3.9Å; M179-P208 HydrophobicContact CB-CB 4.04Å; M179-P208 HydrophobicContact CE-CB 4.33Å; M179-P208 HydrophobicContact CE-CG 4.22Å |
| 180 | S | 97.3 | Very high | 96.7 | Very high | 65 Ų | 65 | 62.9 Ų | 62.9 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 133.9 | 176.8 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | V184 K185 | S180-V184 WeakPolarHBondContact CA-O 3.32Å; S180-K185 VanDerWaalsContact OG-CD 3.28Å; S180-K185 WeakPolarHBondContact OG-CD 3.47Å; S180-K185 WeakPolarHBondContact OG-CE 3.43Å; S180-K185 PolarHBondContact OG-NZ 2.91Å; S180-K185 VanDerWaalsContact OG-NZ 3.13Å |
| 181 | K | 94.7 | Very high | 96.4 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 118.5 | 168.7 | -172.8 | -174.7 | -175.8 | 176.6 | 0 | 109 | G183 V184 P208 | K181-G183 PolarHBondContact O-N 3.24Å; K181-V184 PolarHBondContact N-O 3.1Å; K181-V184 PolarHBondContact O-N 3.47Å; K181-V184 VanDerWaalsContact O-N 3.08Å; K181-P208 HydrophobicContact CB-CB 3.9Å; K181-P208 HydrophobicContact CB-CG 3.74Å; K181-P208 HydrophobicContact CD-CG 4.13Å; K181-P208 HydrophobicContact CG-CG 4.19Å |
| 182 | S | 93.1 | Very high | 95.9 | Very high | 125 Ų | 125 | 65 Ų | 65 | 87% | 0.874 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 41.1 | -177.6 | -51.5 | 0 | 0 | 0 | 0 | 113 | V184 | S182-V184 VanDerWaalsContact C-N 3.27Å; S182-V184 PolarHBondContact O-N 3.27Å |
| 183 | G | 92.5 | Very high | 95.3 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 75% | 0.753 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -17.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | K181 | K181-G183 PolarHBondContact O-N 3.24Š|
| 184 | V | 94.9 | Very high | 94.5 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 129.7 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | S180 K181 S182 R186 A211 | S180-V184 WeakPolarHBondContact CA-O 3.32Å; K181-V184 PolarHBondContact N-O 3.1Å; K181-V184 PolarHBondContact O-N 3.47Å; K181-V184 VanDerWaalsContact O-N 3.08Å; S182-V184 VanDerWaalsContact C-N 3.27Å; S182-V184 PolarHBondContact O-N 3.27Å; V184-R186 HydrophobicContact CG1-CG 4.33Å; V184-A211 HydrophobicContact CG1-CB 4.33Å |
| 185 | K | 97.7 | Very high | 93.2 | Very high | 83 Ų | 83 | 59 Ų | 59 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.8 | 173.7 | -71.5 | -75.6 | -176.3 | -170.9 | 0 | 109.7 | P162 D163 V178 S180 | P162-K185 HydrophobicContact CB-CB 4.35Å; D163-K185 HydrophobicContact CB-CB 3.98Å; D163-K185 HydrophobicContact CB-CG 3.88Å; V178-K185 HydrophobicContact CG1-CB 3.84Å; V178-K185 HydrophobicContact CG1-CD 3.86Å; V178-K185 HydrophobicContact CG1-CG 4.4Å; S180-K185 VanDerWaalsContact OG-CD 3.28Å; S180-K185 WeakPolarHBondContact OG-CD 3.47Å; S180-K185 WeakPolarHBondContact OG-CE 3.43Å; S180-K185 PolarHBondContact OG-NZ 2.91Å; S180-K185 VanDerWaalsContact OG-NZ 3.13Å |
| 186 | R | 98.6 | Very high | 92 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 27% | 0.268 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.4 | -175.2 | -66.5 | -179.2 | 176.6 | -93.2 | -11 | 111.6 | V178 M179 V184 P208 F209 L210 A211 | V178-R186 WeakPolarHBondContact CA-O 3.38Å; M179-R186 PolarHBondContact N-O 3.2Å; M179-R186 PolarHBondContact O-N 3.47Å; V184-R186 HydrophobicContact CG1-CG 4.33Å; R186-P208 HydrophobicContact CB-CB 4.05Å; R186-F209 PolarHBondContact NH1-O 3.45Å; R186-L210 CarbonylContact C-O 3.53Å; R186-L210 WeakPolarHBondContact CA-O 3.16Å; R186-L210 VanDerWaalsContact CB-O 3.26Å; R186-L210 WeakPolarHBondContact CB-O 3.44Å; R186-A211 HydrophobicContact CG-CB 4.46Å |
| 187 | V | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 133.2 | 169.4 | -172.5 | 0 | 0 | 0 | 0 | 108.7 | P162 I171 F209 L210 V212 W220 V230 V231 | P162-V187 HydrophobicContact CB-CG2 4.22Å; P162-V187 HydrophobicContact CG-CG2 3.82Å; I171-V187 HydrophobicContact CD1-CG2 3.86Å; V187-F209 PolarHBondContact O-N 3.3Å; V187-L210 HydrophobicContact CB-CB 4.39Å; V187-L210 PolarHBondContact N-O 3.24Å; V187-L210 PolarHBondContact O-N 3.19Å; V187-V212 WeakPolarHBondContact CG2-O 3.3Å; V187-W220 HydrophobicContact CG1-CH2 4.4Å; V187-V230 HydrophobicContact CG1-CG1 3.69Å; V187-V231 HydrophobicContact CG1-CG2 4.13Å |
| 188 | V | 98.3 | Very high | 88.9 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.3 | -176.6 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | E177 M179 V190 K206 I207 | E177-V188 HydrophobicContact CB-CB 4.15Å; E177-V188 HydrophobicContact CB-CG2 4.06Å; E177-V188 HydrophobicContact CG-CG2 4.15Å; E177-V188 WeakPolarHBondContact O-CB 3.2Å; E177-V188 WeakPolarHBondContact O-CG2 3.37Å; E177-V188 PolarHBondContact O-N 3.17Å; M179-V188 HydrophobicContact CB-CG2 3.71Å; M179-V188 HydrophobicContact CE-CB 4.41Å; M179-V188 HydrophobicContact CE-CG1 3.95Å; M179-V188 HydrophobicContact CE-CG2 3.53Å; M179-V188 HydrophobicContact CG-CG2 3.54Å; M179-V188 HydrophobicContact SD-CG2 4.14Å; V188-V190 HydrophobicContact CG1-CG2 4.11Å; V188-K206 HydrophobicContact CG1-CB 3.73Å; V188-K206 HydrophobicContact CG1-CD 4.49Å; V188-K206 HydrophobicContact CG1-CG 4.2Å; V188-I207 CarbonylContact C-O 3.59Å; V188-I207 WeakPolarHBondContact CA-O 3.49Å |
| 189 | W | 95.4 | Very high | 87.4 | Confident | 16 Ų | 16 | 77 Ų | 77 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 115.3 | 164.3 | -174.6 | 19.7 | 0 | 0 | 0 | 109.8 | T108 F112 T115 R191 I207 F209 W220 | T108-W189 HydrophobicContact CG2-CH2 4.46Å; F112-W189 HydrophobicContact CB-CH2 3.86Å; F112-W189 HydrophobicContact CB-CZ2 4.1Å; F112-W189 HydrophobicContact CD1-CZ2 4.24Å; F112-W189 HydrophobicContact CD2-CH2 4.49Å; F112-W189 HydrophobicContact CG-CH2 4.05Å; F112-W189 HydrophobicContact CG-CZ2 4.21Å; T115-W189 HydrophobicContact CG2-CE3 4.28Å; T115-W189 HydrophobicContact CG2-CH2 3.51Å; T115-W189 HydrophobicContact CG2-CZ2 4.15Å; T115-W189 HydrophobicContact CG2-CZ3 3.58Å; W189-R191 HydrophobicContact CD2-CB 4.32Å; W189-R191 HydrophobicContact CZ2-CB 4.2Å; W189-I207 PolarHBondContact N-O 3.45Å; W189-I207 PolarHBondContact O-N 3.39Å; W189-F209 HydrophobicContact CB-CB 3.9Å; W189-F209 HydrophobicContact CB-CG 4.24Å; W189-F209 AromaticContact CE3-CD2 4Å; W189-F209 HydrophobicContact CE3-CD2 4Å; W189-F209 HydrophobicContact CE3-CE2 4.02Å; W189-F209 HydrophobicContact CE3-CG 4.31Å; W189-F209 HydrophobicContact CE3-CZ 4.36Å; W189-F209 HydrophobicContact CZ3-CE2 4.22Å; W189-F209 HydrophobicContact CZ3-CZ 4.44Å; W189-W220 HydrophobicContact CB-CE3 3.75Å; W189-W220 HydrophobicContact CB-CH2 4.22Å; W189-W220 HydrophobicContact CB-CZ3 3.54Å; W189-W220 AromaticContact CD1-CE3 3.27Å; W189-W220 AromaticContact CD1-CZ3 3.89Å; W189-W220 HydrophobicContact CD2-CD2 4.45Å; W189-W220 HydrophobicContact CD2-CE3 4.2Å; W189-W220 HydrophobicContact CG-CD2 4.17Å; W189-W220 AromaticContact CG-CE3 3.48Å; W189-W220 HydrophobicContact CG-CE3 3.48Å; W189-W220 VanDerWaalsContact CG-CE3 3.48Å; W189-W220 AromaticContact CG-CZ3 3.85Å; W189-W220 HydrophobicContact CG-CZ3 3.85Å; W189-W220 HydrophobicContact CZ2-CB 4.34Å; W189-W220 AromaticContact NE1-CE3 3.86Å |
| 190 | V | 93.1 | Very high | 85.7 | Confident | 77 Ų | 77 | 82.8 Ų | 82.8 | 47% | 0.467 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.3 | 170.8 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | V188 F204 E205 K206 | V188-V190 HydrophobicContact CG1-CG2 4.11Å; V190-F204 HydrophobicContact CG1-CB 4.2Å; V190-F204 HydrophobicContact CG1-CD1 4.16Å; V190-E205 WeakPolarHBondContact CA-O 3.43Å; V190-K206 HydrophobicContact CG2-CG 4.27Å |
| 191 | R | 90.3 | Very high | 84.3 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 17% | 0.17 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 155.6 | -177.6 | 73.1 | 179.1 | -171.8 | -166.8 | -2.6 | 111.7 | F112 W189 F204 E205 I207 | F112-R191 HydrophobicContact CE1-CB 4.04Å; F112-R191 HydrophobicContact CE1-CG 4.14Å; F112-R191 HydrophobicContact CZ-CG 4.21Å; W189-R191 HydrophobicContact CD2-CB 4.32Å; W189-R191 HydrophobicContact CZ2-CB 4.2Å; R191-F204 CarbonylContact O-C 3.55Å; R191-F204 VanDerWaalsContact O-CA 3.31Å; R191-F204 WeakPolarHBondContact O-CA 3.32Å; R191-E205 HydrophobicContact CG-CG 3.97Å; R191-E205 IonicContact CZ-OE1 2.76Å; R191-E205 PolarHBondContact N-O 3.2Å; R191-E205 VanDerWaalsContact N-O 3.14Å; R191-E205 IonicContact NE-OE1 2.81Å; R191-E205 PolarHBondContact NE-OE1 3.19Å; R191-E205 IonicContact NH2-OE1 3.05Å; R191-E205 PolarHBondContact NH2-OE1 2.6Å; R191-E205 PolarHBondContact O-N 3.48Å; R191-I207 HydrophobicContact CG-CD1 4.4Å; R191-I207 VanDerWaalsContact NE-CD1 3.26Å |
| 192 | P | 89 | Confident | 83.2 | Confident | 33 Ų | 33 | 83.9 Ų | 83.9 | 21% | 0.214 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 141 | 172.6 | 26.3 | -31.7 | 0 | 0 | 0 | 109.6 | F112 R194 L203 F204 | F112-P192 HydrophobicContact CE1-CG 3.97Å; F112-P192 WeakPolarHBondContact CE1-O 3.27Å; F112-P192 WeakPolarHBondContact CZ-O 3.13Å; P192-R194 PolarHBondContact O-N 3.23Å; P192-R194 VanDerWaalsContact O-N 3.13Å; P192-L203 CarbonylContact C-O 3.57Å; P192-L203 WeakPolarHBondContact CA-O 3.4Å; P192-F204 HydrophobicContact CB-CD1 4.47Å; P192-F204 HydrophobicContact CB-CE1 4.27Å |
| 193 | V | 86.1 | Confident | 82.9 | Confident | 68 Ų | 68 | 84 Ų | 84 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -58.9 | -28.1 | 178.4 | 175 | 0 | 0 | 0 | 0 | 111.5 | L203 E205 | V193-L203 HydrophobicContact CB-CB 4.5Å; V193-L203 HydrophobicContact CG2-CB 3.97Å; V193-L203 WeakPolarHBondContact CG2-O 3.07Å; V193-L203 PolarHBondContact N-O 3.06Å; V193-E205 HydrophobicContact CG2-CB 4.04Å; V193-E205 HydrophobicContact CG2-CG 4.17Å |
| 194 | R | 80 | Confident | 82.7 | Confident | 143 Ų | 143 | 86.6 Ų | 86.6 | 54% | 0.54 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -137.1 | 120 | 175 | -65.2 | 178.6 | -174.2 | 177.5 | -0.7 | 109.2 | P192 N196 S197 | P192-R194 PolarHBondContact O-N 3.23Å; P192-R194 VanDerWaalsContact O-N 3.13Å; R194-N196 VanDerWaalsContact C-N 3.27Å; R194-N196 PolarHBondContact O-N 3.14Å; R194-S197 WeakPolarHBondContact CB-OG 3.25Å; R194-S197 VanDerWaalsContact CD-OG 3.23Å; R194-S197 WeakPolarHBondContact CD-OG 3.41Å |
| 195 | P | 70.2 | Confident | 82.6 | Confident | 55 Ų | 55 | 86.4 Ų | 86.4 | 36% | 0.357 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.4 | -172.9 | 22 | -30.7 | 0 | 0 | 0 | 113.3 | F112 | F112-P195 HydrophobicContact CD1-CB 4.14Å; F112-P195 HydrophobicContact CE1-CB 3.93Å; F112-P195 HydrophobicContact CE1-CG 4.33Å; F112-P195 HydrophobicContact CE2-CG 4.32Å; F112-P195 HydrophobicContact CZ-CB 4.26Å; F112-P195 HydrophobicContact CZ-CG 4.17Å |
| 196 | N | 70.5 | Confident | 82.4 | Confident | 140 Ų | 140 | 88.2 Ų | 88.2 | 75% | 0.749 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | 24.4 | -171.4 | -60.1 | -16.9 | 0 | 0 | 0 | 114.1 | R194 V198 | R194-N196 VanDerWaalsContact C-N 3.27Å; R194-N196 PolarHBondContact O-N 3.14Å; N196-V198 PolarHBondContact O-N 3.48Å; N196-V198 VanDerWaalsContact O-N 3.1Å |
| 197 | S | 65.2 | Low | 82.3 | Confident | 38 Ų | 38 | 86.3 Ų | 86.3 | 27% | 0.266 | 44% | 0.436 | S | S | . | . | trans | -80.5 | 93 | -179.8 | -73.5 | 0 | 0 | 0 | 0 | 112 | R194 | R194-S197 WeakPolarHBondContact CB-OG 3.25Å; R194-S197 VanDerWaalsContact CD-OG 3.23Å; R194-S197 WeakPolarHBondContact CD-OG 3.41Å | ||
| 198 | V | 65.5 | Low | 82.1 | Confident | 142 Ų | 142 | 87.5 Ų | 87.5 | 86% | 0.861 | 44% | 0.444 | S | S | * | . | trans | -78.8 | -26.7 | 176.2 | -169.2 | 0 | 0 | 0 | 0 | 112.3 | N196 | N196-V198 PolarHBondContact O-N 3.48Å; N196-V198 VanDerWaalsContact O-N 3.1Å | ||
| 199 | K | 65.9 | Low | 82.1 | Confident | 209 Ų | 209 | 89.9 Ų | 89.9 | 91% | 0.909 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -92.6 | -4.5 | -168.1 | -65 | -171.6 | 177.9 | -176.5 | 0 | 115.6 | ||
| 200 | R | 63.3 | Low | 82.2 | Confident | 171 Ų | 171 | 89.7 Ų | 89.7 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -136.6 | 153.6 | -176.7 | -72.4 | -174.2 | 178.6 | 159.6 | 0.4 | 110 | T202 | R200-T202 PolarHBondContact O-N 2.76Š|
| 201 | P | 68.3 | Low | 82.4 | Confident | 117 Ų | 117 | 87.3 Ų | 87.3 | 76% | 0.76 | 44% | 0.442 | S | S | * | . | trans | -49.2 | 127.8 | 168.4 | -24.3 | 33.2 | 0 | 0 | 0 | 109.7 | L203 | P201-L203 PolarHBondContact O-N 3.07Š| ||
| 202 | T | 71.1 | Confident | 82.8 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | trans | -67.7 | 99.5 | 177.7 | 48 | 0 | 0 | 0 | 0 | 108.4 | R200 F204 | R200-T202 PolarHBondContact O-N 2.76Å; T202-F204 VanDerWaalsContact O-CD2 3.26Å; T202-F204 WeakPolarHBondContact O-CD2 3.44Å; T202-F204 WeakPolarHBondContact O-CE2 3.35Å | ||
| 203 | L | 85.8 | Confident | 83.3 | Confident | 128 Ų | 128 | 83.9 Ų | 83.9 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | trans | -71.2 | 134.6 | 168.2 | -67.4 | 172.9 | 0 | 0 | 0 | 108.2 | P192 V193 P201 | P192-L203 CarbonylContact C-O 3.57Å; P192-L203 WeakPolarHBondContact CA-O 3.4Å; V193-L203 HydrophobicContact CB-CB 4.5Å; V193-L203 HydrophobicContact CG2-CB 3.97Å; V193-L203 WeakPolarHBondContact CG2-O 3.07Å; V193-L203 PolarHBondContact N-O 3.06Å; P201-L203 PolarHBondContact O-N 3.07Å | ||
| 204 | F | 88 | Confident | 83.9 | Confident | 126 Ų | 126 | 81.8 Ų | 81.8 | 55% | 0.553 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 141 | 175.2 | -71.3 | -96.9 | 0 | 0 | 0 | 109.9 | V190 R191 P192 T202 | V190-F204 HydrophobicContact CG1-CB 4.2Å; V190-F204 HydrophobicContact CG1-CD1 4.16Å; R191-F204 CarbonylContact O-C 3.55Å; R191-F204 VanDerWaalsContact O-CA 3.31Å; R191-F204 WeakPolarHBondContact O-CA 3.32Å; P192-F204 HydrophobicContact CB-CD1 4.47Å; P192-F204 HydrophobicContact CB-CE1 4.27Å; T202-F204 VanDerWaalsContact O-CD2 3.26Å; T202-F204 WeakPolarHBondContact O-CD2 3.44Å; T202-F204 WeakPolarHBondContact O-CE2 3.35Å |
| 205 | E | 93.3 | Very high | 84.8 | Confident | 65 Ų | 65 | 75 Ų | 75 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 150.3 | 171.9 | 59.7 | 178.4 | -176.6 | 0 | 0 | 110.4 | V190 R191 V193 I207 | V190-E205 WeakPolarHBondContact CA-O 3.43Å; R191-E205 HydrophobicContact CG-CG 3.97Å; R191-E205 IonicContact CZ-OE1 2.76Å; R191-E205 PolarHBondContact N-O 3.2Å; R191-E205 VanDerWaalsContact N-O 3.14Å; R191-E205 IonicContact NE-OE1 2.81Å; R191-E205 PolarHBondContact NE-OE1 3.19Å; R191-E205 IonicContact NH2-OE1 3.05Å; R191-E205 PolarHBondContact NH2-OE1 2.6Å; R191-E205 PolarHBondContact O-N 3.48Å; V193-E205 HydrophobicContact CG2-CB 4.04Å; V193-E205 HydrophobicContact CG2-CG 4.17Å; E205-I207 HydrophobicContact CG-CD1 4.23Å; E205-I207 HydrophobicContact CG-CG1 4.28Å |
| 206 | K | 94.9 | Very high | 86.1 | Confident | 120 Ų | 120 | 72.3 Ų | 72.3 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.9 | 176.7 | -67.3 | -168.6 | 176.3 | -173.6 | 0 | 109.4 | E177 M179 V188 V190 | E177-K206 WeakPolarHBondContact OE2-CD 3.38Å; E177-K206 WeakPolarHBondContact OE2-CE 3.5Å; E177-K206 IonicContact OE2-NZ 2.65Å; E177-K206 PolarHBondContact OE2-NZ 3.31Å; M179-K206 HydrophobicContact CE-CB 3.9Å; V188-K206 HydrophobicContact CG1-CB 3.73Å; V188-K206 HydrophobicContact CG1-CD 4.49Å; V188-K206 HydrophobicContact CG1-CG 4.2Å; V190-K206 HydrophobicContact CG2-CG 4.27Å |
| 207 | I | 94.5 | Very high | 87.5 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 120.1 | -177.1 | -57.4 | 175.6 | 0 | 0 | 0 | 109.8 | V188 W189 R191 E205 F209 | V188-I207 CarbonylContact C-O 3.59Å; V188-I207 WeakPolarHBondContact CA-O 3.49Å; W189-I207 PolarHBondContact N-O 3.45Å; W189-I207 PolarHBondContact O-N 3.39Å; R191-I207 HydrophobicContact CG-CD1 4.4Å; R191-I207 VanDerWaalsContact NE-CD1 3.26Å; E205-I207 HydrophobicContact CG-CD1 4.23Å; E205-I207 HydrophobicContact CG-CG1 4.28Å; I207-F209 PolarHBondContact O-N 3.29Å |
| 208 | P | 96.4 | Very high | 89.1 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 16% | 0.156 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 105.3 | 169.7 | 24.1 | -25 | 0 | 0 | 0 | 109.3 | M179 K181 R186 | M179-P208 HydrophobicContact CB-CB 4.04Å; M179-P208 HydrophobicContact CE-CB 4.33Å; M179-P208 HydrophobicContact CE-CG 4.22Å; K181-P208 HydrophobicContact CB-CB 3.9Å; K181-P208 HydrophobicContact CB-CG 3.74Å; K181-P208 HydrophobicContact CD-CG 4.13Å; K181-P208 HydrophobicContact CG-CG 4.19Å; R186-P208 HydrophobicContact CB-CB 4.05Å |
| 209 | F | 96.8 | Very high | 90.6 | Very high | 59 Ų | 59 | 57.9 Ų | 57.9 | 26% | 0.259 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -68.1 | -162.2 | -168.8 | -107.2 | 0 | 0 | 0 | 112.3 | T115 R186 V187 W189 I207 W220 | T115-F209 HydrophobicContact CG2-CE1 4.16Å; T115-F209 HydrophobicContact CG2-CZ 3.84Å; R186-F209 PolarHBondContact NH1-O 3.45Å; V187-F209 PolarHBondContact O-N 3.3Å; W189-F209 HydrophobicContact CB-CB 3.9Å; W189-F209 HydrophobicContact CB-CG 4.24Å; W189-F209 AromaticContact CE3-CD2 4Å; W189-F209 HydrophobicContact CE3-CD2 4Å; W189-F209 HydrophobicContact CE3-CE2 4.02Å; W189-F209 HydrophobicContact CE3-CG 4.31Å; W189-F209 HydrophobicContact CE3-CZ 4.36Å; W189-F209 HydrophobicContact CZ3-CE2 4.22Å; W189-F209 HydrophobicContact CZ3-CZ 4.44Å; I207-F209 PolarHBondContact O-N 3.29Å; F209-W220 AromaticContact CD1-CE2 3.84Å; F209-W220 HydrophobicContact CD1-CH2 4Å; F209-W220 AromaticContact CD1-CZ2 3.5Å; F209-W220 HydrophobicContact CD1-CZ2 3.5Å; F209-W220 VanDerWaalsContact CD1-CZ2 3.5Å; F209-W220 AromaticContact CE1-CE2 3.95Å; F209-W220 HydrophobicContact CE1-CZ2 4.04Å; F209-W220 AromaticContact CE1-NE1 3.94Å |
| 210 | L | 98.1 | Very high | 92 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 136 | -167.4 | -172 | 62.2 | 0 | 0 | 0 | 113.1 | H52 R186 V187 V212 D218 W220 V231 | H52-L210 VanDerWaalsContact NE2-CD1 3.27Å; H52-L210 WeakPolarHBondContact NE2-CD1 3.24Å; R186-L210 CarbonylContact C-O 3.53Å; R186-L210 WeakPolarHBondContact CA-O 3.16Å; R186-L210 VanDerWaalsContact CB-O 3.26Å; R186-L210 WeakPolarHBondContact CB-O 3.44Å; V187-L210 HydrophobicContact CB-CB 4.39Å; V187-L210 PolarHBondContact N-O 3.24Å; V187-L210 PolarHBondContact O-N 3.19Å; L210-V212 HydrophobicContact CD1-CG2 3.9Å; L210-V212 HydrophobicContact CD2-CG2 3.72Å; L210-V212 WeakPolarHBondContact CD2-O 3.28Å; L210-V212 HydrophobicContact CG-CG2 3.7Å; L210-V212 WeakPolarHBondContact CG-O 3.46Å; L210-D218 WeakPolarHBondContact CD2-OD2 3.39Å; L210-W220 HydrophobicContact CB-CH2 4.37Å; L210-W220 HydrophobicContact CB-CZ2 4.04Å; L210-W220 HydrophobicContact CD2-CZ2 4.22Å; L210-V231 HydrophobicContact CD2-CB 4.43Å; L210-V231 HydrophobicContact CD2-CG1 3.84Å; L210-V231 HydrophobicContact CD2-CG2 3.72Å |
| 211 | A | 97.3 | Very high | 93.7 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 23% | 0.231 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -93.5 | 1.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P162 V184 R186 | P162-A211 WeakPolarHBondContact CD-O 3.36Å; V184-A211 HydrophobicContact CG1-CB 4.33Å; R186-A211 HydrophobicContact CG-CB 4.46Å |
| 212 | V | 98.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | trans | -115.7 | 150.9 | 169.9 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | D137 V187 L210 A215 | D137-V212 HydrophobicContact CB-CG1 4.02Å; D137-V212 WeakPolarHBondContact OD1-CG1 3.46Å; D137-V212 VanDerWaalsContact OD2-CG1 3.28Å; D137-V212 WeakPolarHBondContact OD2-CG1 3.46Å; V187-V212 WeakPolarHBondContact CG2-O 3.3Å; L210-V212 HydrophobicContact CD1-CG2 3.9Å; L210-V212 HydrophobicContact CD2-CG2 3.72Å; L210-V212 WeakPolarHBondContact CD2-O 3.28Å; L210-V212 HydrophobicContact CG-CG2 3.7Å; L210-V212 WeakPolarHBondContact CG-O 3.46Å; V212-A215 HydrophobicContact CG2-CB 4.32Å | ||
| 213 | A | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -94.3 | -25.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | H160 P162 E167 R170 I171 V231 S232 | H160-A213 PolarHBondContact O-N 3.39Å; P162-A213 HydrophobicContact CG-CB 4.42Å; E167-A213 HydrophobicContact CB-CB 3.74Å; E167-A213 HydrophobicContact CG-CB 3.82Å; E167-A213 VanDerWaalsContact OE2-CB 3.27Å; E167-A213 WeakPolarHBondContact OE2-CB 3.47Å; R170-A213 PolarHBondContact NH2-O 3.15Å; I171-A213 HydrophobicContact CD1-CB 3.99Å; A213-V231 WeakPolarHBondContact O-CA 3.43Å; A213-S232 PolarHBondContact O-N 2.98Å |
| 214 | R | 98.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -126.7 | 142.5 | 177.2 | -56.2 | -161.9 | -169.1 | 169 | 13.4 | 110.4 | V135 G136 H160 E167 S232 V234 D236 | V135-R214 HydrophobicContact CB-CB 3.91Å; V135-R214 HydrophobicContact CG1-CB 4.14Å; G136-R214 WeakPolarHBondContact CA-O 3.37Å; G136-R214 PolarHBondContact N-O 3.3Å; G136-R214 VanDerWaalsContact N-O 3.15Å; H160-R214 HydrophobicContact CB-CB 3.96Å; H160-R214 HydrophobicContact CB-CG 3.91Å; H160-R214 VanDerWaalsContact CD2-CD 3.48Å; H160-R214 WeakPolarHBondContact CD2-CD 3.41Å; H160-R214 PolarHBondContact CD2-NE 3.26Å; H160-R214 PolarHBondContact NE2-NH1 3.42Å; E167-R214 IonicContact OE1-CZ 3.97Å; E167-R214 VanDerWaalsContact OE1-CZ 3.29Å; E167-R214 IonicContact OE1-NE 3.01Å; E167-R214 PolarHBondContact OE1-NE 3.4Å; E167-R214 IonicContact OE1-NH2 3.1Å; E167-R214 PolarHBondContact OE1-NH2 3.21Å; E167-R214 VanDerWaalsContact OE2-CG 3.23Å; E167-R214 WeakPolarHBondContact OE2-CG 3.34Å; E167-R214 IonicContact OE2-NE 3.73Å; E167-R214 PolarHBondContact OE2-NE 3.47Å; R214-S232 CarbonylContact C-O 3.52Å; R214-S232 WeakPolarHBondContact CA-O 3.49Å; R214-S232 VanDerWaalsContact CB-O 3.25Å; R214-S232 WeakPolarHBondContact CB-O 3.41Å; R214-V234 PolarHBondContact NH1-O 2.93Å; R214-D236 IonicContact CZ-OD1 3.29Å; R214-D236 IonicContact NH1-OD1 3.92Å; R214-D236 PolarHBondContact NH1-OD1 3.38Å; R214-D236 IonicContact NH2-OD1 2.76Å |
| 215 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -169.3 | 158.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | T118 V212 D218 V231 S232 P233 | T118-A215 CarbonylContact O-C 3.57Å; T118-A215 WeakPolarHBondContact O-CA 3.46Å; T118-A215 VanDerWaalsContact O-CB 3.31Å; T118-A215 WeakPolarHBondContact O-CB 3.14Å; V212-A215 HydrophobicContact CG2-CB 4.32Å; A215-D218 WeakPolarHBondContact CB-OD2 3.31Å; A215-V231 HydrophobicContact CB-CG1 3.79Å; A215-S232 PolarHBondContact N-O 3.38Å; A215-P233 WeakPolarHBondContact O-CA 3.49Å | ||
| 216 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 151.5 | 160.9 | -70 | 174.1 | 0 | 0 | 0 | 109.5 | A61 L65 F91 T94 Q95 M98 G117 T118 A120 V135 P233 | A61-L216 HydrophobicContact CB-CD1 4.22Å; L65-L216 HydrophobicContact CD2-CD1 4.26Å; F91-L216 HydrophobicContact CB-CD2 4.32Å; F91-L216 HydrophobicContact CD1-CD1 4.1Å; F91-L216 HydrophobicContact CD1-CD2 4.1Å; F91-L216 HydrophobicContact CD1-CG 4.16Å; F91-L216 HydrophobicContact CE1-CD1 4.46Å; F91-L216 WeakPolarHBondContact O-CD2 3.41Å; T94-L216 HydrophobicContact CG2-CD1 4.27Å; Q95-L216 HydrophobicContact CB-CD2 4.22Å; M98-L216 HydrophobicContact CE-CB 4Å; M98-L216 HydrophobicContact SD-CB 4.05Å; G117-L216 CarbonylContact C-O 3.59Å; G117-L216 VanDerWaalsContact CA-O 3.24Å; G117-L216 WeakPolarHBondContact CA-O 3.42Å; T118-L216 HydrophobicContact CG2-CB 4.03Å; T118-L216 PolarHBondContact N-O 2.94Å; T118-L216 PolarHBondContact O-N 2.96Å; A120-L216 HydrophobicContact CB-CD1 4.08Å; V135-L216 HydrophobicContact CG2-CG 4.47Å; L216-P233 HydrophobicContact CD2-CB 4.08Å |
| 217 | G | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.9 | -127 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q95 M98 L219 | Q95-G217 PolarHBondContact NE2-O 2.81Å; M98-G217 PolarHBondContact SD-N 3.36Å; G217-L219 PolarHBondContact O-N 3.2Å |
| 218 | D | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 46.1 | 39.8 | -178.7 | -75.7 | -58.8 | 0 | 0 | 0 | 113.1 | H52 S116 L210 A215 W220 S221 V231 | H52-D218 IonicContact CD2-OD1 3.51Å; H52-D218 IonicContact CE1-OD2 3.36Å; H52-D218 PolarHBondContact CE1-OD2 3Å; H52-D218 IonicContact NE2-OD1 3.19Å; H52-D218 PolarHBondContact NE2-OD1 3.3Å; H52-D218 IonicContact NE2-OD2 2.79Å; H52-D218 PolarHBondContact NE2-OD2 3.09Å; S116-D218 PolarHBondContact O-N 3.39Å; L210-D218 WeakPolarHBondContact CD2-OD2 3.39Å; A215-D218 WeakPolarHBondContact CB-OD2 3.31Å; D218-W220 PolarHBondContact O-N 3.16Å; D218-W220 PolarHBondContact OD1-NE1 3.32Å; D218-S221 VanDerWaalsContact O-CB 3.23Å; D218-S221 WeakPolarHBondContact O-CB 3.33Å; D218-S221 PolarHBondContact O-N 2.9Å; D218-S221 PolarHBondContact O-OG 3.04Å; D218-V231 HydrophobicContact CB-CB 3.99Å; D218-V231 HydrophobicContact CB-CG1 3.92Å; D218-V231 HydrophobicContact CB-CG2 4.31Å | ||
| 219 | L | 98.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.089 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -65.9 | -19.8 | -167.9 | -59.7 | 172.2 | 0 | 0 | 0 | 112.8 | Q95 M98 L99 V102 W105 G217 S221 Y222 F229 | Q95-L219 VanDerWaalsContact NE2-CD2 3.32Å; M98-L219 HydrophobicContact CB-CD1 4.34Å; L99-L219 HydrophobicContact CB-CD2 4.2Å; L99-L219 HydrophobicContact CD1-CD1 4.33Å; L99-L219 HydrophobicContact CD1-CD2 4.13Å; V102-L219 HydrophobicContact CB-CD1 3.51Å; V102-L219 HydrophobicContact CG1-CD1 4.29Å; V102-L219 HydrophobicContact CG2-CB 4.44Å; V102-L219 HydrophobicContact CG2-CD1 3.5Å; W105-L219 HydrophobicContact CZ3-CD1 4.23Å; G217-L219 PolarHBondContact O-N 3.2Å; L219-S221 PolarHBondContact O-N 3.45Å; L219-S221 VanDerWaalsContact O-N 3.17Å; L219-Y222 PolarHBondContact O-N 3.29Å; L219-F229 HydrophobicContact CB-CE1 4.45Å; L219-F229 HydrophobicContact CD2-CE1 3.77Å; L219-F229 HydrophobicContact CD2-CZ 4.01Å |
| 220 | W | 95.9 | Very high | 97.3 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -59.2 | -18.9 | 170 | 62.7 | -92.1 | 0 | 0 | 0 | 113.5 | T115 V187 W189 F209 L210 D218 Y222 V231 | T115-W220 HydrophobicContact CG2-CG 4.3Å; V187-W220 HydrophobicContact CG1-CH2 4.4Å; W189-W220 HydrophobicContact CB-CE3 3.75Å; W189-W220 HydrophobicContact CB-CH2 4.22Å; W189-W220 HydrophobicContact CB-CZ3 3.54Å; W189-W220 AromaticContact CD1-CE3 3.27Å; W189-W220 AromaticContact CD1-CZ3 3.89Å; W189-W220 HydrophobicContact CD2-CD2 4.45Å; W189-W220 HydrophobicContact CD2-CE3 4.2Å; W189-W220 HydrophobicContact CG-CD2 4.17Å; W189-W220 AromaticContact CG-CE3 3.48Å; W189-W220 HydrophobicContact CG-CE3 3.48Å; W189-W220 VanDerWaalsContact CG-CE3 3.48Å; W189-W220 AromaticContact CG-CZ3 3.85Å; W189-W220 HydrophobicContact CG-CZ3 3.85Å; W189-W220 HydrophobicContact CZ2-CB 4.34Å; W189-W220 AromaticContact NE1-CE3 3.86Å; F209-W220 AromaticContact CD1-CE2 3.84Å; F209-W220 HydrophobicContact CD1-CH2 4Å; F209-W220 AromaticContact CD1-CZ2 3.5Å; F209-W220 HydrophobicContact CD1-CZ2 3.5Å; F209-W220 VanDerWaalsContact CD1-CZ2 3.5Å; F209-W220 AromaticContact CE1-CE2 3.95Å; F209-W220 HydrophobicContact CE1-CZ2 4.04Å; F209-W220 AromaticContact CE1-NE1 3.94Å; L210-W220 HydrophobicContact CB-CH2 4.37Å; L210-W220 HydrophobicContact CB-CZ2 4.04Å; L210-W220 HydrophobicContact CD2-CZ2 4.22Å; D218-W220 PolarHBondContact O-N 3.16Å; D218-W220 PolarHBondContact OD1-NE1 3.32Å; W220-Y222 VanDerWaalsContact C-N 3.35Å; W220-V231 HydrophobicContact CH2-CG2 4.14Å; W220-V231 HydrophobicContact CZ2-CG2 4.17Å |
| 221 | S | 97.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -86.8 | -0.1 | -177.1 | 76.2 | 0 | 0 | 0 | 0 | 114.1 | D218 L219 N223 V230 V231 | D218-S221 VanDerWaalsContact O-CB 3.23Å; D218-S221 WeakPolarHBondContact O-CB 3.33Å; D218-S221 PolarHBondContact O-N 2.9Å; D218-S221 PolarHBondContact O-OG 3.04Å; L219-S221 PolarHBondContact O-N 3.45Å; L219-S221 VanDerWaalsContact O-N 3.17Å; S221-N223 PolarHBondContact O-N 3.17Å; S221-V230 WeakPolarHBondContact O-CG2 3.37Å; S221-V230 PolarHBondContact O-N 3.3Å; S221-V231 WeakPolarHBondContact OG-CB 3.41Å; S221-V231 PolarHBondContact OG-N 3.39Å |
| 222 | Y | 97.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 34.2 Ų | 34.2 | 40% | 0.4 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 129.3 | 175.6 | -179.1 | -105.5 | 0 | 0 | 0 | 111.6 | L219 W220 D227 F229 | L219-Y222 PolarHBondContact O-N 3.29Å; W220-Y222 VanDerWaalsContact C-N 3.35Å; Y222-D227 PolarHBondContact OH-OD1 3.15Å; Y222-F229 HydrophobicContact CD2-CD1 4.39Å; Y222-F229 HydrophobicContact CD2-CD2 4.36Å; Y222-F229 HydrophobicContact CD2-CE1 4.18Å; Y222-F229 HydrophobicContact CD2-CE2 4.14Å; Y222-F229 HydrophobicContact CD2-CG 4.47Å; Y222-F229 HydrophobicContact CD2-CZ 4.05Å; Y222-F229 HydrophobicContact CG-CE1 4.3Å |
| 223 | N | 96.2 | Very high | 97.4 | Very high | 32 Ų | 32 | 34.2 Ų | 34.2 | 17% | 0.171 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 105.3 | 176.7 | -174.2 | -25.7 | 0 | 0 | 0 | 110.2 | R174 S221 S225 K226 D227 D228 V230 | R174-N223 PolarHBondContact O-ND2 3.12Å; S221-N223 PolarHBondContact O-N 3.17Å; N223-S225 PolarHBondContact O-N 3.28Å; N223-S225 WeakPolarHBondContact OD1-CB 3.34Å; N223-S225 PolarHBondContact OD1-N 3.17Å; N223-S225 PolarHBondContact OD1-OG 2.99Å; N223-K226 HydrophobicContact CB-CB 4.37Å; N223-K226 CarbonylContact O-C 3.55Å; N223-K226 PolarHBondContact O-N 3.41Å; N223-D227 PolarHBondContact O-N 2.82Å; N223-D228 PolarHBondContact N-O 3.28Å; N223-D228 PolarHBondContact O-N 3.12Å; N223-V230 HydrophobicContact CB-CG2 4.34Å |
| 224 | S | 93.1 | Very high | 97.4 | Very high | 98 Ų | 98 | 36.4 Ų | 36.4 | 69% | 0.685 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.1 | -178.6 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | K226 | S224-K226 VanDerWaalsContact C-N 3.29Å; S224-K226 PolarHBondContact O-N 3.48Å |
| 225 | S | 94.1 | Very high | 97.4 | Very high | 96 Ų | 96 | 35.6 Ų | 35.6 | 67% | 0.671 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -23.2 | 177.8 | 70.4 | 0 | 0 | 0 | 0 | 113.1 | N223 | N223-S225 PolarHBondContact O-N 3.28Å; N223-S225 WeakPolarHBondContact OD1-CB 3.34Å; N223-S225 PolarHBondContact OD1-N 3.17Å; N223-S225 PolarHBondContact OD1-OG 2.99Å |
| 226 | K | 95.3 | Very high | 97.4 | Very high | 107 Ų | 107 | 39 Ų | 39 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -6.3 | 179.5 | -65.1 | -69.5 | -175.5 | 152.6 | 0 | 112.8 | E173 N223 S224 D228 | E173-K226 VanDerWaalsContact O-CE 3.24Å; E173-K226 WeakPolarHBondContact O-CE 3.48Å; E173-K226 PolarHBondContact O-NZ 3.16Å; N223-K226 HydrophobicContact CB-CB 4.37Å; N223-K226 CarbonylContact O-C 3.55Å; N223-K226 PolarHBondContact O-N 3.41Å; S224-K226 VanDerWaalsContact C-N 3.29Å; S224-K226 PolarHBondContact O-N 3.48Å; K226-D228 PolarHBondContact O-N 3.37Å |
| 227 | D | 95.5 | Very high | 97.4 | Very high | 121 Ų | 121 | 41.2 Ų | 41.2 | 65% | 0.647 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 42 | -174.5 | -163.5 | 25.4 | 0 | 0 | 0 | 113 | Y222 N223 | Y222-D227 PolarHBondContact OH-OD1 3.15Å; N223-D227 PolarHBondContact O-N 2.82Å |
| 228 | D | 96.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 166.8 | 178.1 | -152.6 | -14.7 | 0 | 0 | 0 | 111.5 | R174 N223 K226 | R174-D228 IonicContact CZ-OD2 3.7Å; R174-D228 IonicContact NE-OD2 3.26Å; R174-D228 VanDerWaalsContact NH1-CG 3.26Å; R174-D228 IonicContact NH1-OD2 3.29Å; R174-D228 PolarHBondContact NH1-OD2 3.48Å; R174-D228 IonicContact NH2-OD2 4Å; R174-D228 PolarHBondContact NH2-OD2 3.5Å; N223-D228 PolarHBondContact N-O 3.28Å; N223-D228 PolarHBondContact O-N 3.12Å; K226-D228 PolarHBondContact O-N 3.37Å |
| 229 | F | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 10% | 0.096 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.9 | 177.5 | -60.7 | -91.8 | 0 | 0 | 0 | 111.5 | Q95 L219 Y222 V231 | Q95-F229 HydrophobicContact CG-CE2 4.43Å; L219-F229 HydrophobicContact CB-CE1 4.45Å; L219-F229 HydrophobicContact CD2-CE1 3.77Å; L219-F229 HydrophobicContact CD2-CZ 4.01Å; Y222-F229 HydrophobicContact CD2-CD1 4.39Å; Y222-F229 HydrophobicContact CD2-CD2 4.36Å; Y222-F229 HydrophobicContact CD2-CE1 4.18Å; Y222-F229 HydrophobicContact CD2-CE2 4.14Å; Y222-F229 HydrophobicContact CD2-CG 4.47Å; Y222-F229 HydrophobicContact CD2-CZ 4.05Å; Y222-F229 HydrophobicContact CG-CE1 4.3Å; F229-V231 VanDerWaalsContact C-N 3.33Å; F229-V231 WeakPolarHBondContact CB-O 3.45Å |
| 230 | V | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -65.9 | -41 | 171.4 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | R170 I171 R174 V187 S221 N223 S232 | R170-V230 PolarHBondContact NH1-O 2.89Å; R170-V230 PolarHBondContact NH2-O 3Å; I171-V230 HydrophobicContact CB-CG1 4.4Å; I171-V230 HydrophobicContact CG1-CG1 4.26Å; I171-V230 HydrophobicContact CG2-CG1 3.82Å; R174-V230 HydrophobicContact CB-CG2 4.41Å; V187-V230 HydrophobicContact CG1-CG1 3.69Å; S221-V230 WeakPolarHBondContact O-CG2 3.37Å; S221-V230 PolarHBondContact O-N 3.3Å; N223-V230 HydrophobicContact CB-CG2 4.34Å; V230-S232 PolarHBondContact O-N 2.83Å |
| 231 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -85.7 | 106.4 | 168.8 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | V187 L210 A213 A215 D218 W220 S221 F229 | V187-V231 HydrophobicContact CG1-CG2 4.13Å; L210-V231 HydrophobicContact CD2-CB 4.43Å; L210-V231 HydrophobicContact CD2-CG1 3.84Å; L210-V231 HydrophobicContact CD2-CG2 3.72Å; A213-V231 WeakPolarHBondContact O-CA 3.43Å; A215-V231 HydrophobicContact CB-CG1 3.79Å; D218-V231 HydrophobicContact CB-CB 3.99Å; D218-V231 HydrophobicContact CB-CG1 3.92Å; D218-V231 HydrophobicContact CB-CG2 4.31Å; W220-V231 HydrophobicContact CH2-CG2 4.14Å; W220-V231 HydrophobicContact CZ2-CG2 4.17Å; S221-V231 WeakPolarHBondContact OG-CB 3.41Å; S221-V231 PolarHBondContact OG-N 3.39Å; F229-V231 VanDerWaalsContact C-N 3.33Å; F229-V231 WeakPolarHBondContact CB-O 3.45Å |
| 232 | S | 98.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -76.3 | 133.2 | -170.3 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A213 R214 A215 V230 V234 | A213-S232 PolarHBondContact O-N 2.98Å; R214-S232 CarbonylContact C-O 3.52Å; R214-S232 WeakPolarHBondContact CA-O 3.49Å; R214-S232 VanDerWaalsContact CB-O 3.25Å; R214-S232 WeakPolarHBondContact CB-O 3.41Å; A215-S232 PolarHBondContact N-O 3.38Å; V230-S232 PolarHBondContact O-N 2.83Å; S232-V234 VanDerWaalsContact C-N 3.31Å; S232-V234 WeakPolarHBondContact OG-CB 3.27Å; S232-V234 WeakPolarHBondContact OG-CG2 3.45Å; S232-V234 PolarHBondContact OG-N 2.86Å |
| 233 | P | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | trans | -84.6 | -5.4 | 169.6 | 36.8 | -37.6 | 0 | 0 | 0 | 112.9 | L92 Q95 A215 L216 P235 | L92-P233 HydrophobicContact CD2-CB 4.49Å; L92-P233 HydrophobicContact CD2-CG 4.04Å; Q95-P233 HydrophobicContact CB-CB 3.93Å; Q95-P233 HydrophobicContact CB-CG 4.36Å; Q95-P233 HydrophobicContact CG-CB 3.73Å; Q95-P233 HydrophobicContact CG-CG 3.85Å; A215-P233 WeakPolarHBondContact O-CA 3.49Å; L216-P233 HydrophobicContact CD2-CB 4.08Å; P233-P235 VanDerWaalsContact O-CD 3.31Å; P233-P235 WeakPolarHBondContact O-CD 3.47Å | ||
| 234 | V | 98.8 | Very high | 96.8 | Very high | 47 Ų | 47 | 51.2 Ų | 51.2 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 117.3 | -177.9 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | L92 R214 S232 | L92-V234 HydrophobicContact CD2-CG2 4.05Å; R214-V234 PolarHBondContact NH1-O 2.93Å; S232-V234 VanDerWaalsContact C-N 3.31Å; S232-V234 WeakPolarHBondContact OG-CB 3.27Å; S232-V234 WeakPolarHBondContact OG-CG2 3.45Å; S232-V234 PolarHBondContact OG-N 2.86Å |
| 235 | P | 98.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 150.3 | 179.2 | 32.1 | -35.8 | 0 | 0 | 0 | 112.3 | K88 F91 H134 V135 P233 V237 | K88-P235 HydrophobicContact CB-CG 4.23Å; K88-P235 HydrophobicContact CG-CG 4.28Å; F91-P235 HydrophobicContact CB-CG 3.86Å; F91-P235 HydrophobicContact CD1-CB 3.75Å; F91-P235 HydrophobicContact CD1-CG 3.88Å; F91-P235 HydrophobicContact CD2-CB 4.28Å; F91-P235 HydrophobicContact CD2-CG 3.91Å; F91-P235 HydrophobicContact CE1-CB 3.8Å; F91-P235 HydrophobicContact CE1-CG 4.36Å; F91-P235 HydrophobicContact CE2-CB 4.34Å; F91-P235 HydrophobicContact CE2-CG 4.4Å; F91-P235 HydrophobicContact CG-CB 4Å; F91-P235 HydrophobicContact CG-CG 3.63Å; F91-P235 HydrophobicContact CZ-CB 4.11Å; H134-P235 VanDerWaalsContact O-CA 3.31Å; H134-P235 WeakPolarHBondContact O-CA 3.5Å; V135-P235 HydrophobicContact CG1-CB 4.04Å; P233-P235 VanDerWaalsContact O-CD 3.31Å; P233-P235 WeakPolarHBondContact O-CD 3.47Å; P235-V237 HydrophobicContact CB-CG1 4.29Å; P235-V237 HydrophobicContact CG-CG1 3.99Å |
| 236 | D | 98.9 | Very high | 96.8 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 132.8 | 153.3 | -77.2 | 5 | 0 | 0 | 0 | 108.1 | G133 H134 H160 R214 | G133-D236 CarbonylContact C-O 3.53Å; G133-D236 WeakPolarHBondContact CA-O 3.31Å; H134-D236 PolarHBondContact N-O 3.02Å; H134-D236 PolarHBondContact O-N 3.26Å; H160-D236 IonicContact CE1-OD2 3.48Å; H160-D236 IonicContact NE2-OD1 2.97Å; H160-D236 IonicContact NE2-OD2 3.25Å; H160-D236 PolarHBondContact NE2-OD2 3.12Å; R214-D236 IonicContact CZ-OD1 3.29Å; R214-D236 IonicContact NH1-OD1 3.92Å; R214-D236 PolarHBondContact NH1-OD1 3.38Å; R214-D236 IonicContact NH2-OD1 2.76Å |
| 237 | V | 98.9 | Very high | 96.8 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.1 | 179.8 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | L84 I87 K88 I132 P235 | L84-V237 HydrophobicContact CB-CB 4.3Å; L84-V237 HydrophobicContact CB-CG2 3.99Å; L84-V237 HydrophobicContact CD2-CB 4.08Å; I87-V237 HydrophobicContact CB-CG1 4.42Å; I87-V237 HydrophobicContact CG2-CG1 3.97Å; K88-V237 HydrophobicContact CB-CG1 4.21Å; I132-V237 VanDerWaalsContact O-CA 3.25Å; I132-V237 WeakPolarHBondContact O-CA 3.38Å; P235-V237 HydrophobicContact CB-CG1 4.29Å; P235-V237 HydrophobicContact CG-CG1 3.99Å |
| 238 | S | 98.8 | Very high | 96.8 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 30% | 0.301 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.9 | 178.2 | 67 | 0 | 0 | 0 | 0 | 112.1 | L84 Y131 I132 | L84-S238 VanDerWaalsContact CD2-C 3.48Å; L84-S238 WeakPolarHBondContact CD2-O 3.39Å; Y131-S238 WeakPolarHBondContact CA-O 3.35Å; I132-S238 PolarHBondContact N-O 2.75Å; I132-S238 PolarHBondContact O-N 2.9Å; I132-S238 VanDerWaalsContact O-N 3.15Å |
| 239 | M | 98.4 | Very high | 96.9 | Very high | 63 Ų | 63 | 32 Ų | 32 | 31% | 0.31 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.4 | 173.9 | -177.6 | -78.3 | -61.4 | 0 | 0 | 109.3 | D80 L84 K129 V130 Y131 Q241 | D80-M239 HydrophobicContact CB-CE 4.42Å; D80-M239 HydrophobicContact CB-CG 4.43Å; D80-M239 WeakPolarHBondContact OD2-CE 3.42Å; L84-M239 HydrophobicContact CD1-CB 4.34Å; L84-M239 HydrophobicContact CD2-CB 4.33Å; K129-M239 HydrophobicContact CB-CG 4.34Å; K129-M239 HydrophobicContact CB-SD 4.19Å; K129-M239 HydrophobicContact CD-CG 4.2Å; K129-M239 HydrophobicContact CD-SD 3.82Å; K129-M239 HydrophobicContact CG-SD 3.99Å; V130-M239 CarbonylContact O-C 3.51Å; V130-M239 WeakPolarHBondContact O-CA 3.44Å; Y131-M239 HydrophobicContact CD1-CB 3.92Å; Y131-M239 HydrophobicContact CD1-CG 3.73Å; Y131-M239 HydrophobicContact CE1-CB 4.05Å; Y131-M239 HydrophobicContact CE1-CG 3.49Å; Y131-M239 VanDerWaalsContact CE1-CG 3.49Å; Y131-M239 HydrophobicContact CG-CG 4.46Å; M239-Q241 HydrophobicContact SD-CB 4.44Å |
| 240 | V | 97.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 31 Ų | 31 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 118 | 176 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | K129 V130 L156 L242 | K129-V240 WeakPolarHBondContact CA-O 3.26Å; V130-V240 HydrophobicContact CB-CB 4.49Å; V130-V240 PolarHBondContact N-O 3.2Å; V130-V240 PolarHBondContact O-N 2.88Å; L156-V240 HydrophobicContact CD1-CG2 4.18Å; L156-V240 HydrophobicContact CD2-CG2 4.15Å; V240-L242 PolarHBondContact O-N 3.17Å |
| 241 | Q | 96.7 | Very high | 96.9 | Very high | 76 Ų | 76 | 30.5 Ų | 30.5 | 36% | 0.355 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 114.9 | 171.3 | -179.2 | 65.2 | 68.8 | 0 | 0 | 109.5 | N128 K129 M239 Q243 | N128-Q241 PolarHBondContact ND2-NE2 2.99Å; N128-Q241 VanDerWaalsContact ND2-NE2 3.11Å; N128-Q241 PolarHBondContact O-NE2 3.46Å; K129-Q241 VanDerWaalsContact CE-OE1 3.27Å; M239-Q241 HydrophobicContact SD-CB 4.44Å; Q241-Q243 PolarHBondContact O-N 3.21Å; Q241-Q243 PolarHBondContact O-NE2 3.36Å |
| 242 | L | 94.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | trans | -66.2 | 129.1 | 179.8 | -65.4 | 171.5 | 0 | 0 | 0 | 111.2 | R8 I125 N128 V130 I142 V240 D246 F322 | R8-L242 VanDerWaalsContact NH1-CB 3.34Å; I125-L242 HydrophobicContact CG2-CD1 4.47Å; N128-L242 PolarHBondContact ND2-O 3.49Å; N128-L242 VanDerWaalsContact O-CB 3.28Å; N128-L242 WeakPolarHBondContact O-CB 3.49Å; N128-L242 PolarHBondContact O-N 2.93Å; V130-L242 HydrophobicContact CG2-CD1 3.93Å; V130-L242 HydrophobicContact CG2-CD2 3.59Å; V130-L242 HydrophobicContact CG2-CG 3.75Å; I142-L242 HydrophobicContact CD1-CD2 4.01Å; V240-L242 PolarHBondContact O-N 3.17Å; L242-D246 WeakPolarHBondContact CA-OD2 3.44Å; L242-D246 HydrophobicContact CD2-CB 4.29Å; L242-F322 HydrophobicContact CD1-CD1 4.48Å; L242-F322 HydrophobicContact CD1-CE1 3.99Å; L242-F322 HydrophobicContact CD1-CZ 4.09Å; L242-F322 HydrophobicContact CD2-CE2 3.88Å; L242-F322 HydrophobicContact CD2-CZ 3.84Å | ||
| 243 | Q | 93.8 | Very high | 96.9 | Very high | 85 Ų | 85 | 30.1 Ų | 30.1 | 40% | 0.397 | 17% | 0.168 | S | C | . | . | trans | -101.2 | 153 | -179.8 | -60.1 | -54.1 | -49.2 | 0 | 0 | 111 | R8 Q241 D245 D246 | R8-Q243 PolarHBondContact NH1-O 2.83Å; R8-Q243 PolarHBondContact NH2-O 3.25Å; Q241-Q243 PolarHBondContact O-N 3.21Å; Q241-Q243 PolarHBondContact O-NE2 3.36Å; Q243-D245 WeakPolarHBondContact CB-OD1 3.32Å; Q243-D245 PolarHBondContact O-N 3.35Å; Q243-D246 PolarHBondContact N-OD2 3.33Å; Q243-D246 WeakPolarHBondContact O-CB 3.48Å; Q243-D246 PolarHBondContact O-N 2.89Å | ||
| 244 | P | 90.1 | Very high | 96.9 | Very high | 92 Ų | 92 | 31 Ų | 31 | 60% | 0.597 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.6 | -175.4 | -27.3 | 36 | 0 | 0 | 0 | 116.5 | R8 R324 | R8-P244 PolarHBondContact NH2-O 3.11Å; P244-R324 PolarHBondContact O-NH2 3.3Å |
| 245 | D | 92.6 | Very high | 96.9 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 20% | 0.203 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15 | 176.5 | 59.2 | -32 | 0 | 0 | 0 | 113.7 | K144 R145 Q243 V247 | K144-D245 CarbonylContact C-O 3.5Å; K144-D245 VanDerWaalsContact CA-O 3.29Å; K144-D245 WeakPolarHBondContact CA-O 3.38Å; K144-D245 IonicContact NZ-OD2 3.37Å; R145-D245 PolarHBondContact N-O 2.92Å; Q243-D245 WeakPolarHBondContact CB-OD1 3.32Å; Q243-D245 PolarHBondContact O-N 3.35Å; D245-V247 PolarHBondContact O-N 2.87Å |
| 246 | D | 94.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 119.5 | 170.8 | -62.8 | -38.1 | 0 | 0 | 0 | 110.1 | R8 I142 K144 L242 Q243 F322 | R8-D246 PolarHBondContact NH2-O 3.24Å; I142-D246 HydrophobicContact CD1-CB 4.04Å; I142-D246 VanDerWaalsContact CD1-CG 3.45Å; I142-D246 WeakPolarHBondContact CD1-OD1 3.46Å; I142-D246 HydrophobicContact CG1-CB 4.42Å; K144-D246 WeakPolarHBondContact CE-OD1 3.45Å; K144-D246 VanDerWaalsContact CG-OD1 3.27Å; K144-D246 WeakPolarHBondContact CG-OD1 3.35Å; L242-D246 WeakPolarHBondContact CA-OD2 3.44Å; L242-D246 HydrophobicContact CD2-CB 4.29Å; Q243-D246 PolarHBondContact N-OD2 3.33Å; Q243-D246 WeakPolarHBondContact O-CB 3.48Å; Q243-D246 PolarHBondContact O-N 2.89Å; D246-F322 HydrophobicContact CB-CD2 4.23Å; D246-F322 HydrophobicContact CB-CE2 4.42Å |
| 247 | V | 93.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 26.1 Ų | 26.1 | 7% | 0.067 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -24.5 | -176.6 | -67.7 | 0 | 0 | 0 | 0 | 113.4 | G143 R145 D245 W274 L321 F322 | G143-V247 WeakPolarHBondContact O-CG2 3.35Å; G143-V247 PolarHBondContact O-N 3.09Å; R145-V247 HydrophobicContact CB-CB 4.42Å; R145-V247 HydrophobicContact CB-CG1 3.65Å; R145-V247 HydrophobicContact CB-CG2 3.89Å; D245-V247 PolarHBondContact O-N 2.87Å; V247-W274 HydrophobicContact CB-CH2 3.83Å; V247-W274 HydrophobicContact CB-CZ2 4.42Å; V247-W274 HydrophobicContact CG1-CH2 4.28Å; V247-W274 HydrophobicContact CG2-CH2 3.94Å; V247-W274 HydrophobicContact CG2-CZ3 4.32Å; V247-L321 WeakPolarHBondContact O-CA 3.39Å; V247-F322 PolarHBondContact O-N 3.44Å |
| 248 | C | 96.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 159.3 | 176.7 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | I142 G143 V269 V320 L321 | I142-C248 WeakPolarHBondContact CG1-O 3.26Å; G143-C248 PolarHBondContact N-O 3.17Å; G143-C248 PolarHBondContact O-N 2.96Å; C248-V269 HydrophobicContact CB-CG1 4.35Å; C248-V320 CarbonylContact C-O 3.56Å; C248-V320 WeakPolarHBondContact CA-O 3.33Å; C248-V320 VanDerWaalsContact CB-O 3.3Å; C248-V320 WeakPolarHBondContact CB-O 3.48Å; C248-L321 HydrophobicContact CB-CD2 3.61Å |
| 249 | L | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.5 | 168.7 | -170.7 | 80.4 | 0 | 0 | 0 | 107.9 | L46 A123 V130 I140 A141 I142 L156 V320 F322 | L46-L249 HydrophobicContact CD1-CD2 4.37Å; A123-L249 HydrophobicContact CB-CD2 4.09Å; V130-L249 HydrophobicContact CG1-CD2 4.25Å; I140-L249 HydrophobicContact CG2-CD1 3.63Å; I140-L249 HydrophobicContact CG2-CD2 4.32Å; I140-L249 HydrophobicContact CG2-CG 3.97Å; A141-L249 CarbonylContact O-C 3.59Å; A141-L249 WeakPolarHBondContact O-CA 3.32Å; I142-L249 HydrophobicContact CB-CD1 4.34Å; I142-L249 HydrophobicContact CG1-CD1 4.48Å; L156-L249 HydrophobicContact CD1-CD1 3.85Å; L249-V320 HydrophobicContact CB-CB 4.34Å; L249-V320 PolarHBondContact N-O 2.81Å; L249-V320 PolarHBondContact O-N 3.05Å; L249-F322 HydrophobicContact CB-CE2 4.1Å; L249-F322 HydrophobicContact CB-CZ 3.81Å |
| 250 | V | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.2 | 178 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | I140 A141 L256 W257 V265 I299 V317 I318 T319 | I140-V250 CarbonylContact C-O 3.57Å; I140-V250 WeakPolarHBondContact CA-O 3.29Å; A141-V250 PolarHBondContact N-O 2.78Å; A141-V250 PolarHBondContact O-N 2.82Å; V250-L256 HydrophobicContact CG1-CD2 4.45Å; V250-W257 HydrophobicContact CG1-CH2 4.49Å; V250-W257 HydrophobicContact CG1-CZ2 4.48Å; V250-V265 HydrophobicContact CB-CG1 3.99Å; V250-V265 HydrophobicContact CG1-CG1 3.86Å; V250-V265 HydrophobicContact CG2-CG1 3.74Å; V250-I299 HydrophobicContact CG1-CD1 4.34Å; V250-I299 HydrophobicContact CG2-CD1 4.29Å; V250-V317 HydrophobicContact CG1-CG1 3.92Å; V250-I318 CarbonylContact C-O 3.49Å; V250-I318 VanDerWaalsContact CA-O 3.29Å; V250-I318 WeakPolarHBondContact CA-O 3.29Å; V250-T319 HydrophobicContact CG2-CG2 4.01Å |
| 251 | I | 98.9 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135.9 | 171.3 | -46.7 | -177.4 | 0 | 0 | 0 | 107.3 | L46 V48 A123 A139 I140 V317 I318 | L46-I251 HydrophobicContact CB-CD1 3.63Å; V48-I251 HydrophobicContact CB-CG2 3.77Å; V48-I251 HydrophobicContact CG2-CB 4.02Å; V48-I251 HydrophobicContact CG2-CG2 3.47Å; V48-I251 VanDerWaalsContact CG2-CG2 3.47Å; A123-I251 HydrophobicContact CB-CD1 4.02Å; A139-I251 WeakPolarHBondContact O-CA 3.38Å; I140-I251 HydrophobicContact CD1-CD1 4.25Å; I140-I251 HydrophobicContact CD1-CG1 4.41Å; I140-I251 HydrophobicContact CG1-CB 4.48Å; I140-I251 HydrophobicContact CG1-CD1 4.38Å; I140-I251 HydrophobicContact CG1-CG1 4.02Å; I140-I251 HydrophobicContact CG1-CG2 4.05Å; I140-I251 HydrophobicContact CG2-CG1 4.19Å; I251-V317 CarbonylContact O-C 3.54Å; I251-V317 WeakPolarHBondContact O-CA 3.42Å; I251-I318 HydrophobicContact CB-CB 4.33Å; I251-I318 PolarHBondContact N-O 3.24Å; I251-I318 PolarHBondContact O-N 2.92Å |
| 252 | G | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 161.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S138 A139 W257 S316 | S138-G252 CarbonylContact C-O 3.47Å; S138-G252 VanDerWaalsContact CA-O 3.25Å; S138-G252 WeakPolarHBondContact CA-O 3.42Å; S138-G252 VanDerWaalsContact CB-O 3.29Å; S138-G252 WeakPolarHBondContact CB-O 3.46Å; A139-G252 PolarHBondContact N-O 3.12Å; A139-G252 PolarHBondContact O-N 3.04Å; G252-W257 VanDerWaalsContact C-NE1 3.3Å; G252-W257 PolarHBondContact O-NE1 3.38Å; G252-S316 CarbonylContact C-O 3.57Å; G252-S316 WeakPolarHBondContact CA-O 3.31Å |
| 253 | S | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -76.2 | 173.1 | 174.2 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | D27 G255 L256 W257 N314 S316 | D27-S253 WeakPolarHBondContact OD2-CB 3.46Å; D27-S253 PolarHBondContact OD2-OG 3.17Å; S253-G255 PolarHBondContact O-N 3.17Å; S253-L256 WeakPolarHBondContact O-CB 3.49Å; S253-L256 PolarHBondContact O-N 3.39Å; S253-W257 PolarHBondContact O-N 3.06Å; S253-N314 PolarHBondContact OG-O 2.97Å; S253-N314 VanDerWaalsContact OG-O 3.04Å; S253-S316 PolarHBondContact N-O 3.48Å; S253-S316 PolarHBondContact OG-N 3.25Å | ||
| 254 | D | 98.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 22.8 Ų | 22.8 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -26.6 | 179.3 | 89.1 | -27.7 | 0 | 0 | 0 | 112 | D50 L256 W257 N258 | D50-D254 PolarHBondContact OD2-N 3.1Å; D254-L256 CarbonylContact O-C 3.59Å; D254-L256 PolarHBondContact O-N 2.85Å; D254-L256 VanDerWaalsContact O-N 3.09Å; D254-W257 PolarHBondContact O-N 3.09Å; D254-W257 VanDerWaalsContact O-N 3.11Å; D254-N258 VanDerWaalsContact CG-ND2 3.33Å; D254-N258 WeakPolarHBondContact O-CB 3.11Å; D254-N258 PolarHBondContact O-N 3.07Å; D254-N258 PolarHBondContact O-ND2 2.89Å; D254-N258 VanDerWaalsContact O-ND2 3.14Å; D254-N258 PolarHBondContact OD2-ND2 2.92Å |
| 255 | G | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -56.3 | -25.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S253 W307 N314 | S253-G255 PolarHBondContact O-N 3.17Å; G255-W307 PolarHBondContact O-NE1 3.1Å; G255-N314 WeakPolarHBondContact CA-O 3.49Å |
| 256 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -85.8 | -56.8 | 167.3 | 173.4 | 62.3 | 0 | 0 | 0 | 111.5 | V250 S253 D254 N258 V259 L260 V265 I299 A303 V317 | V250-L256 HydrophobicContact CG1-CD2 4.45Å; S253-L256 WeakPolarHBondContact O-CB 3.49Å; S253-L256 PolarHBondContact O-N 3.39Å; D254-L256 CarbonylContact O-C 3.59Å; D254-L256 PolarHBondContact O-N 2.85Å; D254-L256 VanDerWaalsContact O-N 3.09Å; L256-N258 VanDerWaalsContact C-N 3.28Å; L256-N258 PolarHBondContact O-N 3.46Å; L256-V259 VanDerWaalsContact O-CG2 3.3Å; L256-V259 WeakPolarHBondContact O-CG2 3.13Å; L256-V259 PolarHBondContact O-N 2.86Å; L256-V259 VanDerWaalsContact O-N 3.15Å; L256-L260 HydrophobicContact CD1-CB 4.12Å; L256-L260 HydrophobicContact CD1-CD1 3.74Å; L256-L260 HydrophobicContact CD1-CG 4.38Å; L256-L260 PolarHBondContact O-N 2.89Å; L256-V265 HydrophobicContact CD1-CG2 4.27Å; L256-V265 HydrophobicContact CD2-CG2 4.34Å; L256-I299 HydrophobicContact CD1-CG2 3.46Å; L256-I299 VanDerWaalsContact CD1-CG2 3.46Å; L256-I299 HydrophobicContact CD2-CG2 3.99Å; L256-I299 HydrophobicContact CG-CG2 4.39Å; L256-A303 HydrophobicContact CD1-CB 3.95Å; L256-V317 HydrophobicContact CB-CG2 4.36Å; L256-V317 HydrophobicContact CD2-CG1 4.21Å; L256-V317 HydrophobicContact CD2-CG2 3.98Å |
| 257 | W | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 8% | 0.08 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -72.1 | -19.1 | -165.6 | -60.3 | 116.8 | 0 | 0 | 0 | 114.4 | A139 A141 V250 G252 S253 D254 V259 L260 A262 V265 | A139-W257 HydrophobicContact CB-CD2 4.14Å; A139-W257 HydrophobicContact CB-CG 4.09Å; A139-W257 HydrophobicContact CB-CZ2 4.39Å; A139-W257 WeakPolarHBondContact O-CZ2 3.19Å; A139-W257 PolarHBondContact O-NE1 3.36Å; A139-W257 VanDerWaalsContact O-NE1 3.17Å; A141-W257 HydrophobicContact CB-CH2 3.58Å; A141-W257 HydrophobicContact CB-CZ2 4.23Å; A141-W257 HydrophobicContact CB-CZ3 4.32Å; V250-W257 HydrophobicContact CG1-CH2 4.49Å; V250-W257 HydrophobicContact CG1-CZ2 4.48Å; G252-W257 VanDerWaalsContact C-NE1 3.3Å; G252-W257 PolarHBondContact O-NE1 3.38Å; S253-W257 PolarHBondContact O-N 3.06Å; D254-W257 PolarHBondContact O-N 3.09Å; D254-W257 VanDerWaalsContact O-N 3.11Å; W257-V259 PolarHBondContact O-N 3.44Å; W257-L260 WeakPolarHBondContact CA-O 3.38Å; W257-A262 HydrophobicContact CZ3-CB 4.49Å; W257-V265 HydrophobicContact CH2-CG2 4.14Å; W257-V265 HydrophobicContact CZ3-CB 4.43Å; W257-V265 HydrophobicContact CZ3-CG2 3.77Å |
| 258 | N | 96.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 17.1 Ų | 17.1 | 46% | 0.46 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.5 | 174.1 | -72.4 | -27.3 | 0 | 0 | 0 | 112.7 | D254 L256 W307 | D254-N258 VanDerWaalsContact CG-ND2 3.33Å; D254-N258 WeakPolarHBondContact O-CB 3.11Å; D254-N258 PolarHBondContact O-N 3.07Å; D254-N258 PolarHBondContact O-ND2 2.89Å; D254-N258 VanDerWaalsContact O-ND2 3.14Å; D254-N258 PolarHBondContact OD2-ND2 2.92Å; L256-N258 VanDerWaalsContact C-N 3.28Å; L256-N258 PolarHBondContact O-N 3.46Å; N258-W307 HydrophobicContact CB-CH2 4.46Å; N258-W307 HydrophobicContact CB-CZ2 4.18Å |
| 259 | V | 96.8 | Very high | 97 | Very high | 33 Ų | 33 | 17.1 Ų | 17.1 | 20% | 0.2 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -17.8 | -174.9 | -64.8 | 0 | 0 | 0 | 0 | 114.4 | L256 W257 A303 R306 W307 | L256-V259 VanDerWaalsContact O-CG2 3.3Å; L256-V259 WeakPolarHBondContact O-CG2 3.13Å; L256-V259 PolarHBondContact O-N 2.86Å; L256-V259 VanDerWaalsContact O-N 3.15Å; W257-V259 PolarHBondContact O-N 3.44Å; V259-A303 HydrophobicContact CG2-CB 3.88Å; V259-R306 HydrophobicContact CB-CB 3.8Å; V259-R306 HydrophobicContact CG1-CB 4.49Å; V259-R306 HydrophobicContact CG2-CB 4.18Å; V259-W307 HydrophobicContact CG1-CD2 3.7Å; V259-W307 HydrophobicContact CG1-CE3 4.25Å; V259-W307 HydrophobicContact CG1-CG 3.96Å; V259-W307 HydrophobicContact CG1-CZ2 4.09Å |
| 260 | L | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | trans | -131.7 | 139.5 | 176.3 | -66.3 | 177.3 | 0 | 0 | 0 | 110.7 | L256 W257 N264 V265 I268 W281 Q302 A303 R306 | L256-L260 HydrophobicContact CD1-CB 4.12Å; L256-L260 HydrophobicContact CD1-CD1 3.74Å; L256-L260 HydrophobicContact CD1-CG 4.38Å; L256-L260 PolarHBondContact O-N 2.89Å; W257-L260 WeakPolarHBondContact CA-O 3.38Å; L260-N264 HydrophobicContact CB-CB 4.48Å; L260-N264 HydrophobicContact CD2-CB 4Å; L260-V265 HydrophobicContact CB-CG2 4.14Å; L260-I268 HydrophobicContact CD1-CD1 3.96Å; L260-W281 HydrophobicContact CD2-CH2 4Å; L260-Q302 HydrophobicContact CD1-CB 4.14Å; L260-A303 HydrophobicContact CD1-CB 4.22Å; L260-R306 HydrophobicContact CD2-CG 3.94Å | ||
| 261 | N | 97.8 | Very high | 95.9 | Very high | 86 Ų | 86 | 17.2 Ų | 17.2 | 46% | 0.46 | 9% | 0.091 | S | C | . | . | trans | -93.8 | 168.9 | 170.5 | 66.4 | 37.5 | 0 | 0 | 0 | 111.5 | Q263 N264 V265 | N261-Q263 VanDerWaalsContact C-N 3.25Å; N261-Q263 PolarHBondContact O-N 3.5Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.4Å; N261-Q263 PolarHBondContact OD1-N 2.93Å; N261-N264 PolarHBondContact ND2-OD1 3.49Å; N261-N264 PolarHBondContact O-N 3.32Å; N261-N264 VanDerWaalsContact O-N 3.1Å; N261-N264 VanDerWaalsContact OD1-CG 3.24Å; N261-N264 PolarHBondContact OD1-N 3.29Å; N261-N264 PolarHBondContact OD1-OD1 3.29Å; N261-V265 PolarHBondContact O-N 3.12Å | ||
| 262 | A | 98.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -55.6 | -38.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A141 K155 W257 V265 V266 | A141-A262 HydrophobicContact CB-CB 3.88Å; K155-A262 HydrophobicContact CG-CB 4.31Å; W257-A262 HydrophobicContact CZ3-CB 4.49Å; A262-V265 PolarHBondContact O-N 2.99Å; A262-V266 WeakPolarHBondContact O-CG2 3.25Å; A262-V266 PolarHBondContact O-N 3.04Å |
| 263 | Q | 97.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 19.8 Ų | 19.8 | 26% | 0.262 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.5 | -176.7 | 61.4 | 31.8 | 0 | 0 | 111.5 | V151 N261 V265 V266 E267 | V151-Q263 PolarHBondContact O-NE2 2.8Å; N261-Q263 VanDerWaalsContact C-N 3.25Å; N261-Q263 PolarHBondContact O-N 3.5Å; N261-Q263 WeakPolarHBondContact OD1-CB 3.4Å; N261-Q263 PolarHBondContact OD1-N 2.93Å; Q263-V265 VanDerWaalsContact C-N 3.35Å; Q263-V265 PolarHBondContact O-N 2.8Å; Q263-V266 PolarHBondContact O-N 3.04Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.29Å; Q263-E267 PolarHBondContact NE2-OE1 2.96Å; Q263-E267 WeakPolarHBondContact O-CB 3.39Å; Q263-E267 VanDerWaalsContact O-CG 3.25Å; Q263-E267 WeakPolarHBondContact O-CG 3.48Å; Q263-E267 PolarHBondContact O-N 3.09Å |
| 264 | N | 96.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 24 Ų | 24 | 8% | 0.08 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 176.9 | -63.9 | 147.6 | 0 | 0 | 0 | 111.9 | L260 N261 V266 E267 I268 W281 | L260-N264 HydrophobicContact CB-CB 4.48Å; L260-N264 HydrophobicContact CD2-CB 4Å; N261-N264 PolarHBondContact ND2-OD1 3.49Å; N261-N264 PolarHBondContact O-N 3.32Å; N261-N264 VanDerWaalsContact O-N 3.1Å; N261-N264 VanDerWaalsContact OD1-CG 3.24Å; N261-N264 PolarHBondContact OD1-N 3.29Å; N261-N264 PolarHBondContact OD1-OD1 3.29Å; N264-V266 PolarHBondContact O-N 2.73Å; N264-E267 PolarHBondContact O-N 3.16Å; N264-I268 WeakPolarHBondContact O-CD1 3.27Å; N264-I268 VanDerWaalsContact O-CG1 3.26Å; N264-I268 WeakPolarHBondContact O-CG1 3.29Å; N264-I268 PolarHBondContact O-N 3.32Å; N264-W281 HydrophobicContact CB-CH2 4.47Å; N264-W281 HydrophobicContact CB-CZ2 3.91Å |
| 265 | V | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 178.1 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | V250 L256 W257 L260 N261 A262 Q263 I268 V269 I299 | V250-V265 HydrophobicContact CB-CG1 3.99Å; V250-V265 HydrophobicContact CG1-CG1 3.86Å; V250-V265 HydrophobicContact CG2-CG1 3.74Å; L256-V265 HydrophobicContact CD1-CG2 4.27Å; L256-V265 HydrophobicContact CD2-CG2 4.34Å; W257-V265 HydrophobicContact CH2-CG2 4.14Å; W257-V265 HydrophobicContact CZ3-CB 4.43Å; W257-V265 HydrophobicContact CZ3-CG2 3.77Å; L260-V265 HydrophobicContact CB-CG2 4.14Å; N261-V265 PolarHBondContact O-N 3.12Å; A262-V265 PolarHBondContact O-N 2.99Å; Q263-V265 VanDerWaalsContact C-N 3.35Å; Q263-V265 PolarHBondContact O-N 2.8Å; V265-I268 WeakPolarHBondContact O-CB 3.47Å; V265-I268 PolarHBondContact O-N 3.44Å; V265-V269 WeakPolarHBondContact O-CG2 3.33Å; V265-V269 PolarHBondContact O-N 2.68Å; V265-V269 VanDerWaalsContact O-N 3.08Å; V265-I299 HydrophobicContact CG1-CD1 3.86Å; V265-I299 HydrophobicContact CG1-CG1 4.33Å; V265-I299 HydrophobicContact CG1-CG2 4.49Å; V265-I299 HydrophobicContact CG2-CG2 4.26Å |
| 266 | V | 95.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70 | -33.4 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | G143 V151 A262 Q263 N264 V269 N270 | G143-V266 VanDerWaalsContact CA-CG2 3.47Å; V151-V266 HydrophobicContact CB-CG1 3.79Å; V151-V266 HydrophobicContact CG1-CG1 4.43Å; V151-V266 HydrophobicContact CG2-CG1 4.02Å; A262-V266 WeakPolarHBondContact O-CG2 3.25Å; A262-V266 PolarHBondContact O-N 3.04Å; Q263-V266 PolarHBondContact O-N 3.04Å; N264-V266 PolarHBondContact O-N 2.73Å; V266-V269 PolarHBondContact O-N 3.43Å; V266-N270 WeakPolarHBondContact O-CB 3.41Å; V266-N270 PolarHBondContact O-N 3.22Å |
| 267 | E | 92.8 | Very high | 88.4 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 8% | 0.084 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 171.7 | -74 | 168.2 | -174.2 | 0 | 0 | 112.4 | V151 Q263 N264 N270 C271 N279 W281 | V151-E267 HydrophobicContact CG2-CG 4.13Å; Q263-E267 WeakPolarHBondContact CG-OE1 3.29Å; Q263-E267 PolarHBondContact NE2-OE1 2.96Å; Q263-E267 WeakPolarHBondContact O-CB 3.39Å; Q263-E267 VanDerWaalsContact O-CG 3.25Å; Q263-E267 WeakPolarHBondContact O-CG 3.48Å; Q263-E267 PolarHBondContact O-N 3.09Å; N264-E267 PolarHBondContact O-N 3.16Å; E267-N270 PolarHBondContact O-N 2.79Å; E267-C271 WeakPolarHBondContact O-CB 3.21Å; E267-C271 PolarHBondContact O-N 2.91Å; E267-N279 PolarHBondContact OE1-ND2 3.25Å; E267-N279 PolarHBondContact OE2-ND2 3.27Å; E267-W281 PolarHBondContact OE2-NE1 3.19Å |
| 268 | I | 91.9 | Very high | 86.5 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.8 | -67.2 | 159.2 | 0 | 0 | 0 | 110.5 | L260 N264 V265 N272 W281 W298 I299 Q302 | L260-I268 HydrophobicContact CD1-CD1 3.96Å; N264-I268 WeakPolarHBondContact O-CD1 3.27Å; N264-I268 VanDerWaalsContact O-CG1 3.26Å; N264-I268 WeakPolarHBondContact O-CG1 3.29Å; N264-I268 PolarHBondContact O-N 3.32Å; V265-I268 WeakPolarHBondContact O-CB 3.47Å; V265-I268 PolarHBondContact O-N 3.44Å; I268-N272 PolarHBondContact O-N 3.22Å; I268-N272 PolarHBondContact O-ND2 3.46Å; I268-W281 HydrophobicContact CD1-CE3 4.25Å; I268-W281 HydrophobicContact CD1-CH2 3.8Å; I268-W281 HydrophobicContact CD1-CZ2 4.11Å; I268-W281 HydrophobicContact CD1-CZ3 3.87Å; I268-W281 HydrophobicContact CG1-CD2 3.73Å; I268-W281 HydrophobicContact CG1-CE3 3.77Å; I268-W281 HydrophobicContact CG1-CG 4.34Å; I268-W281 HydrophobicContact CG1-CH2 4.04Å; I268-W281 HydrophobicContact CG1-CZ2 4.01Å; I268-W281 HydrophobicContact CG1-CZ3 3.93Å; I268-W298 HydrophobicContact CG2-CB 4.4Å; I268-I299 HydrophobicContact CB-CG1 4.46Å; I268-I299 HydrophobicContact CG2-CG1 4Å; I268-Q302 HydrophobicContact CD1-CB 3.69Å; I268-Q302 HydrophobicContact CD1-CG 3.76Å; I268-Q302 HydrophobicContact CG1-CG 4.14Å; I268-Q302 HydrophobicContact CG2-CG 4.39Å |
| 269 | V | 91.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 173.2 | 167.2 | 0 | 0 | 0 | 0 | 110.2 | C248 V265 V266 C271 N272 E273 W274 I299 T319 L321 | C248-V269 HydrophobicContact CB-CG1 4.35Å; V265-V269 WeakPolarHBondContact O-CG2 3.33Å; V265-V269 PolarHBondContact O-N 2.68Å; V265-V269 VanDerWaalsContact O-N 3.08Å; V266-V269 PolarHBondContact O-N 3.43Å; V269-C271 VanDerWaalsContact C-N 3.34Å; V269-C271 PolarHBondContact O-N 2.85Å; V269-N272 PolarHBondContact O-N 2.96Å; V269-E273 WeakPolarHBondContact O-CB 3.25Å; V269-E273 PolarHBondContact O-N 3.45Å; V269-W274 HydrophobicContact CG1-CZ3 4.27Å; V269-I299 HydrophobicContact CG2-CD1 3.93Å; V269-T319 HydrophobicContact CG2-CG2 4.41Å; V269-L321 HydrophobicContact CG1-CD2 3.8Å |
| 270 | N | 89.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | -176.5 | -173.9 | 70.9 | 0 | 0 | 0 | 113 | R145 V151 V266 E267 N272 W274 K275 D276 | R145-N270 PolarHBondContact NE-OD1 2.85Å; V151-N270 HydrophobicContact CB-CB 4.49Å; V151-N270 HydrophobicContact CG1-CB 3.82Å; V151-N270 VanDerWaalsContact CG1-OD1 3.24Å; V151-N270 WeakPolarHBondContact CG1-OD1 3.47Å; V151-N270 HydrophobicContact CG2-CB 3.95Å; V266-N270 WeakPolarHBondContact O-CB 3.41Å; V266-N270 PolarHBondContact O-N 3.22Å; E267-N270 PolarHBondContact O-N 2.79Å; N270-N272 VanDerWaalsContact C-N 3.34Å; N270-N272 PolarHBondContact O-N 3.01Å; N270-W274 HydrophobicContact CB-CE3 4.25Å; N270-W274 HydrophobicContact CB-CZ3 4.49Å; N270-W274 PolarHBondContact O-N 3.31Å; N270-W274 VanDerWaalsContact OD1-CE3 3.26Å; N270-K275 PolarHBondContact O-N 2.88Å; N270-D276 WeakPolarHBondContact ND2-CB 3.49Å; N270-D276 PolarHBondContact ND2-O 3.45Å |
| 271 | C | 85.3 | Confident | 80.7 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 175.6 | -97.2 | 0 | 0 | 0 | 0 | 113.6 | E267 V269 K275 C277 W281 | E267-C271 WeakPolarHBondContact O-CB 3.21Å; E267-C271 PolarHBondContact O-N 2.91Å; V269-C271 VanDerWaalsContact C-N 3.34Å; V269-C271 PolarHBondContact O-N 2.85Å; C271-K275 WeakPolarHBondContact O-CA 3.46Å; C271-K275 PolarHBondContact O-N 2.91Å; C271-C277 WeakPolarHBondContact CA-SG 3.39Å; C271-C277 HydrophobicContact CB-CB 4.4Å; C271-C277 WeakPolarHBondContact CB-SG 3.3Å; C271-C277 WeakPolarHBondContact SG-CA 3.3Å; C271-C277 WeakPolarHBondContact SG-CB 3.41Å; C271-C277 CovalentContact SG-SG 2.04Å; C271-C277 PolarHBondContact SG-SG 3.47Å; C271-W281 HydrophobicContact CB-CB 4.32Å |
| 272 | N | 82 | Confident | 78.7 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -81 | -39.9 | -176 | -76.1 | -51.8 | 0 | 0 | 0 | 112 | I268 V269 N270 C284 I293 | I268-N272 PolarHBondContact O-N 3.22Å; I268-N272 PolarHBondContact O-ND2 3.46Å; V269-N272 PolarHBondContact O-N 2.96Å; N270-N272 VanDerWaalsContact C-N 3.34Å; N270-N272 PolarHBondContact O-N 3.01Å; N272-C284 PolarHBondContact OD1-N 2.91Å; N272-C284 VanDerWaalsContact OD1-N 3.14Å; N272-I293 HydrophobicContact CB-CD1 4.24Å; N272-I293 HydrophobicContact CB-CG2 4.19Å; N272-I293 WeakPolarHBondContact O-CD1 3.37Å |
| 273 | E | 84.3 | Confident | 76.6 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 23% | 0.229 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.4 | -47.6 | -176.5 | -171.5 | 58 | -162.9 | 0 | 0 | 112.7 | R12 V269 H295 | R12-E273 IonicContact CZ-OE1 2.83Å; R12-E273 IonicContact CZ-OE2 3.78Å; R12-E273 IonicContact NH1-OE1 3.13Å; R12-E273 PolarHBondContact NH1-OE1 2.91Å; R12-E273 IonicContact NH1-OE2 4Å; R12-E273 PolarHBondContact NH1-OE2 3.02Å; R12-E273 IonicContact NH2-OE1 3.78Å; R12-E273 PolarHBondContact NH2-OE1 2.76Å; R12-E273 IonicContact NH2-OE2 3.88Å; V269-E273 WeakPolarHBondContact O-CB 3.25Å; V269-E273 PolarHBondContact O-N 3.45Å; E273-H295 IonicContact OE2-CE1 2.63Å; E273-H295 PolarHBondContact OE2-CE1 3.15Å; E273-H295 IonicContact OE2-NE2 3.88Å; E273-H295 PolarHBondContact OE2-NE2 3.41Å |
| 274 | W | 78.5 | Confident | 74.4 | Confident | 89 Ų | 89 | 36.2 Ų | 36.2 | 34% | 0.337 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -110.5 | -0.8 | -173.2 | -59.3 | -72.1 | 0 | 0 | 0 | 114 | V247 V269 N270 D276 | V247-W274 HydrophobicContact CB-CH2 3.83Å; V247-W274 HydrophobicContact CB-CZ2 4.42Å; V247-W274 HydrophobicContact CG1-CH2 4.28Å; V247-W274 HydrophobicContact CG2-CH2 3.94Å; V247-W274 HydrophobicContact CG2-CZ3 4.32Å; V269-W274 HydrophobicContact CG1-CZ3 4.27Å; N270-W274 HydrophobicContact CB-CE3 4.25Å; N270-W274 HydrophobicContact CB-CZ3 4.49Å; N270-W274 PolarHBondContact O-N 3.31Å; N270-W274 VanDerWaalsContact OD1-CE3 3.26Å; W274-D276 PolarHBondContact O-N 3.03Å |
| 275 | K | 67.6 | Low | 72.2 | Confident | 85 Ų | 85 | 44.2 Ų | 44.2 | 37% | 0.37 | 24% | 0.244 | S | C | . | . | trans | 61.7 | 18.8 | -179.5 | -57.1 | -166.1 | 169.5 | -143.3 | 0 | 115 | N270 C271 K287 | N270-K275 PolarHBondContact O-N 2.88Å; C271-K275 WeakPolarHBondContact O-CA 3.46Å; C271-K275 PolarHBondContact O-N 2.91Å; K275-K287 HydrophobicContact CD-CD 4.31Å; K275-K287 VanDerWaalsContact NZ-CG 3.29Å | ||
| 276 | D | 61.8 | Low | 69.8 | Low | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | trans | -94.3 | 101.4 | 176.6 | -69 | -31.1 | 0 | 0 | 0 | 109.3 | R145 N270 W274 P278 | R145-D276 IonicContact CZ-OD2 2.86Å; R145-D276 IonicContact NH2-OD2 3.3Å; R145-D276 PolarHBondContact NH2-OD2 3.45Å; N270-D276 WeakPolarHBondContact ND2-CB 3.49Å; N270-D276 PolarHBondContact ND2-O 3.45Å; W274-D276 PolarHBondContact O-N 3.03Å; D276-P278 VanDerWaalsContact O-CD 3.27Å; D276-P278 WeakPolarHBondContact O-CD 3.47Å | ||
| 277 | C | 59.4 | Low | 67.5 | Low | 44 Ų | 44 | 53.9 Ų | 53.9 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | trans | -118.4 | 74.8 | -175 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | C271 N279 W281 | C271-C277 WeakPolarHBondContact CA-SG 3.39Å; C271-C277 HydrophobicContact CB-CB 4.4Å; C271-C277 WeakPolarHBondContact CB-SG 3.3Å; C271-C277 WeakPolarHBondContact SG-CA 3.3Å; C271-C277 WeakPolarHBondContact SG-CB 3.41Å; C271-C277 CovalentContact SG-SG 2.04Å; C271-C277 PolarHBondContact SG-SG 3.47Å; C277-N279 VanDerWaalsContact C-N 3.29Å; C277-N279 PolarHBondContact O-N 3.3Å; C277-W281 PolarHBondContact SG-O 3Å; C277-W281 VanDerWaalsContact SG-O 3.35Å | ||
| 278 | P | 57.6 | Low | 65.3 | Low | 94 Ų | 94 | 59.6 Ų | 59.6 | 61% | 0.61 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.2 | 179.9 | 25.7 | -32.6 | 0 | 0 | 0 | 113 | D276 | D276-P278 VanDerWaalsContact O-CD 3.27Å; D276-P278 WeakPolarHBondContact O-CD 3.47Å |
| 279 | N | 55.3 | Low | 63.5 | Low | 50 Ų | 50 | 62.2 Ų | 62.2 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 20.2 | -167 | -64.2 | -10 | 0 | 0 | 0 | 114.7 | E267 C277 W281 | E267-N279 PolarHBondContact OE1-ND2 3.25Å; E267-N279 PolarHBondContact OE2-ND2 3.27Å; C277-N279 VanDerWaalsContact C-N 3.29Å; C277-N279 PolarHBondContact O-N 3.3Å; N279-W281 PolarHBondContact O-N 3.33Å |
| 280 | G | 56.3 | Low | 62.3 | Low | 64 Ų | 64 | 65.7 Ų | 65.7 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | trans | 74.8 | 18.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 281 | W | 56.8 | Low | 62 | Low | 27 Ų | 27 | 67.9 Ų | 67.9 | 10% | 0.102 | 39% | 0.392 | C | S | . | . | trans | -69.7 | 133.9 | 166.1 | -59.9 | 105.1 | 0 | 0 | 0 | 109.3 | L260 N264 E267 I268 C271 C277 N279 A283 Q302 | L260-W281 HydrophobicContact CD2-CH2 4Å; N264-W281 HydrophobicContact CB-CH2 4.47Å; N264-W281 HydrophobicContact CB-CZ2 3.91Å; E267-W281 PolarHBondContact OE2-NE1 3.19Å; I268-W281 HydrophobicContact CD1-CE3 4.25Å; I268-W281 HydrophobicContact CD1-CH2 3.8Å; I268-W281 HydrophobicContact CD1-CZ2 4.11Å; I268-W281 HydrophobicContact CD1-CZ3 3.87Å; I268-W281 HydrophobicContact CG1-CD2 3.73Å; I268-W281 HydrophobicContact CG1-CE3 3.77Å; I268-W281 HydrophobicContact CG1-CG 4.34Å; I268-W281 HydrophobicContact CG1-CH2 4.04Å; I268-W281 HydrophobicContact CG1-CZ2 4.01Å; I268-W281 HydrophobicContact CG1-CZ3 3.93Å; C271-W281 HydrophobicContact CB-CB 4.32Å; C277-W281 PolarHBondContact SG-O 3Å; C277-W281 VanDerWaalsContact SG-O 3.35Å; N279-W281 PolarHBondContact O-N 3.33Å; W281-A283 PolarHBondContact O-N 3.03Å; W281-Q302 HydrophobicContact CE3-CG 4.12Å; W281-Q302 HydrophobicContact CZ3-CB 4.03Å; W281-Q302 HydrophobicContact CZ3-CG 3.85Å; W281-Q302 VanDerWaalsContact CZ3-OE1 3.32Å | ||
| 282 | N | 55.8 | Low | 62 | Low | 103 Ų | 103 | 69.5 Ų | 69.5 | 55% | 0.551 | 40% | 0.399 | S | S | * | . | trans | -72.1 | 112.8 | 174.5 | -67.1 | -11.7 | 0 | 0 | 0 | 108.7 | ||||
| 283 | A | 55.1 | Low | 62.3 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | trans | -64.6 | 156 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | W281 E285 | W281-A283 PolarHBondContact O-N 3.03Å; A283-E285 PolarHBondContact O-N 2.79Å | ||
| 284 | C | 51.2 | Low | 62.7 | Low | 10 Ų | 10 | 68.2 Ų | 68.2 | 7% | 0.068 | 39% | 0.394 | C | S | . | . | trans | -54.7 | 108.2 | 166.3 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | N272 S286 I293 W298 | N272-C284 PolarHBondContact OD1-N 2.91Å; N272-C284 VanDerWaalsContact OD1-N 3.14Å; C284-S286 PolarHBondContact O-N 3.34Å; C284-I293 HydrophobicContact CB-CD1 4.42Å; C284-W298 HydrophobicContact CB-CZ2 3.89Å | ||
| 285 | E | 49.9 | Very low | 63.6 | Low | 184 Ų | 184 | 64.1 Ų | 64.1 | 86% | 0.86 | 38% | 0.378 | S | S | * | . | trans | -62.9 | -27.1 | 178.3 | -66.7 | -176.6 | 172.8 | 0 | 0 | 111.5 | A283 K287 | A283-E285 PolarHBondContact O-N 2.79Å; E285-K287 PolarHBondContact O-N 2.97Å | ||
| 286 | S | 48 | Very low | 65 | Low | 38 Ų | 38 | 60 Ų | 60 | 27% | 0.266 | 36% | 0.361 | S | S | . | . | trans | -70.2 | 86.4 | 175.1 | 148.1 | 0 | 0 | 0 | 0 | 110.8 | C284 C289 S372 | C284-S286 PolarHBondContact O-N 3.34Å; S286-C289 PolarHBondContact OG-SG 3.09Å; S286-C289 VanDerWaalsContact OG-SG 3.36Å; S286-S372 PolarHBondContact OG-OG 3.41Å | ||
| 287 | K | 47.1 | Very low | 66.6 | Low | 167 Ų | 167 | 57 Ų | 57 | 73% | 0.726 | 34% | 0.344 | S | S | * | . | trans | -86.2 | 4 | 146 | -120 | -178.2 | -174 | 179.6 | 0 | 111.7 | K275 E285 C289 | K275-K287 HydrophobicContact CD-CD 4.31Å; K275-K287 VanDerWaalsContact NZ-CG 3.29Å; E285-K287 PolarHBondContact O-N 2.97Å; K287-C289 PolarHBondContact O-N 3.38Å | ||
| 288 | T | 45.3 | Very low | 68.1 | Low | 137 Ų | 137 | 56 Ų | 56 | 84% | 0.84 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -79.3 | -11.4 | -168.9 | 37.8 | 0 | 0 | 0 | 0 | 115.4 | ||
| 289 | C | 54.6 | Low | 70 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -116.5 | -5.2 | -174.9 | 62.5 | 0 | 0 | 0 | 0 | 116.8 | S286 K287 L291 S372 | S286-C289 PolarHBondContact OG-SG 3.09Å; S286-C289 VanDerWaalsContact OG-SG 3.36Å; K287-C289 PolarHBondContact O-N 3.38Å; C289-L291 HydrophobicContact CB-CD1 4.11Å; C289-L291 HydrophobicContact CB-CG 3.97Å; C289-L291 PolarHBondContact O-N 2.92Å; C289-S372 PolarHBondContact SG-OG 3.42Å |
| 290 | G | 67.2 | Low | 71.9 | Confident | 73 Ų | 73 | 49.1 Ų | 49.1 | 75% | 0.753 | 29% | 0.292 | S | S | * | . | trans | 59.9 | 16.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 291 | L | 82.1 | Confident | 73.6 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | trans | -88 | 157.3 | 176.3 | -60 | 178.5 | 0 | 0 | 0 | 110.6 | C289 R370 | C289-L291 HydrophobicContact CB-CD1 4.11Å; C289-L291 HydrophobicContact CB-CG 3.97Å; C289-L291 PolarHBondContact O-N 2.92Å; L291-R370 HydrophobicContact CD2-CB 4.12Å | ||
| 292 | E | 86.1 | Confident | 75.4 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -71.2 | 168.2 | 175.4 | -71.8 | -65.1 | 137.3 | 0 | 0 | 111.8 | R12 Y333 L369 R370 T371 S372 | R12-E292 WeakPolarHBondContact CD-OE2 3.29Å; R12-E292 IonicContact CZ-OE2 3.66Å; R12-E292 IonicContact NE-OE2 2.7Å; R12-E292 IonicContact NH1-OE2 2.76Å; R12-E292 PolarHBondContact NH1-OE2 3.1Å; E292-Y333 HydrophobicContact CG-CE1 4.13Å; E292-Y333 WeakPolarHBondContact OE1-CE1 3.24Å; E292-L369 HydrophobicContact CG-CB 4.26Å; E292-L369 HydrophobicContact CG-CD1 3.79Å; E292-R370 PolarHBondContact N-O 2.83Å; E292-T371 HydrophobicContact CB-CG2 4.25Å; E292-T371 CarbonylContact O-C 3.51Å; E292-T371 WeakPolarHBondContact O-CA 3.44Å; E292-T371 WeakPolarHBondContact O-CB 3.29Å; E292-S372 PolarHBondContact O-N 3.34Å |
| 293 | I | 88.6 | Confident | 77.2 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.138 | 25% | 0.247 | C | C | . | . | trans | -110 | 125.1 | 178.3 | -59 | 170.7 | 0 | 0 | 0 | 109.9 | N272 C284 H295 W298 | N272-I293 HydrophobicContact CB-CD1 4.24Å; N272-I293 HydrophobicContact CB-CG2 4.19Å; N272-I293 WeakPolarHBondContact O-CD1 3.37Å; C284-I293 HydrophobicContact CB-CD1 4.42Å; I293-H295 PolarHBondContact O-N 3.1Å; I293-H295 VanDerWaalsContact O-N 3.14Å; I293-H295 PolarHBondContact O-ND1 3.35Å; I293-W298 VanDerWaalsContact CG2-CD1 3.43Å | ||
| 294 | N | 93.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -77.4 | 98.3 | 169.6 | -170.5 | -40.7 | 0 | 0 | 0 | 109.9 | S14 A296 R297 W298 S356 A357 V358 T371 | S14-N294 WeakPolarHBondContact CB-OD1 3.23Å; N294-A296 PolarHBondContact OD1-N 3.36Å; N294-R297 HydrophobicContact CB-CB 3.92Å; N294-R297 VanDerWaalsContact CG-CB 3.47Å; N294-R297 PolarHBondContact O-N 3.45Å; N294-R297 VanDerWaalsContact OD1-CB 3.23Å; N294-R297 WeakPolarHBondContact OD1-CB 3.46Å; N294-R297 PolarHBondContact OD1-N 3.48Å; N294-W298 PolarHBondContact O-N 3.19Å; N294-W298 VanDerWaalsContact O-N 3.13Å; N294-S356 PolarHBondContact ND2-O 3.2Å; N294-A357 PolarHBondContact ND2-O 3.33Å; N294-V358 HydrophobicContact CB-CG2 4.25Å; N294-T371 HydrophobicContact CB-CG2 4.08Å | ||
| 295 | H | 95.4 | Very high | 80.8 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.8 | -41.1 | -174.3 | -75.3 | 44.7 | 0 | 0 | 0 | 112.6 | S14 E273 I293 R297 W298 I299 T319 | S14-H295 PolarHBondContact OG-N 2.71Å; E273-H295 IonicContact OE2-CE1 2.63Å; E273-H295 PolarHBondContact OE2-CE1 3.15Å; E273-H295 IonicContact OE2-NE2 3.88Å; E273-H295 PolarHBondContact OE2-NE2 3.41Å; I293-H295 PolarHBondContact O-N 3.1Å; I293-H295 VanDerWaalsContact O-N 3.14Å; I293-H295 PolarHBondContact O-ND1 3.35Å; H295-R297 PolarHBondContact O-N 2.76Å; H295-W298 PolarHBondContact O-N 3.19Å; H295-I299 WeakPolarHBondContact O-CD1 3.45Å; H295-I299 WeakPolarHBondContact O-CG1 3.44Å; H295-I299 PolarHBondContact O-N 3.2Å; H295-T319 HydrophobicContact CB-CG2 3.7Å |
| 296 | A | 97.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.7 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S14 C16 N294 I299 A300 V317 | S14-A296 WeakPolarHBondContact O-CB 3.41Å; S14-A296 PolarHBondContact OG-N 3.45Å; S14-A296 VanDerWaalsContact OG-N 3.08Å; C16-A296 HydrophobicContact CB-CB 3.97Å; N294-A296 PolarHBondContact OD1-N 3.36Å; A296-I299 PolarHBondContact O-N 2.98Å; A296-A300 WeakPolarHBondContact O-CB 3.46Å; A296-A300 PolarHBondContact O-N 3.23Å; A296-V317 HydrophobicContact CB-CB 4.19Å; A296-V317 HydrophobicContact CB-CG1 4.06Å; A296-V317 WeakPolarHBondContact CB-O 3.17Å |
| 297 | R | 94.5 | Very high | 85 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -38.7 | 178.2 | -162.6 | 171.4 | 179.7 | 82.6 | -2.4 | 112.6 | C16 N294 H295 A300 R301 V374 L376 T400 E404 | C16-R297 HydrophobicContact CB-CB 4.09Å; N294-R297 HydrophobicContact CB-CB 3.92Å; N294-R297 VanDerWaalsContact CG-CB 3.47Å; N294-R297 PolarHBondContact O-N 3.45Å; N294-R297 VanDerWaalsContact OD1-CB 3.23Å; N294-R297 WeakPolarHBondContact OD1-CB 3.46Å; N294-R297 PolarHBondContact OD1-N 3.48Å; H295-R297 PolarHBondContact O-N 2.76Å; R297-A300 PolarHBondContact O-N 2.79Å; R297-R301 WeakPolarHBondContact O-CB 3.29Å; R297-R301 PolarHBondContact O-N 2.82Å; R297-V374 HydrophobicContact CB-CB 4.49Å; R297-V374 HydrophobicContact CG-CB 3.98Å; R297-V374 HydrophobicContact CG-CG1 4.13Å; R297-V374 PolarHBondContact NE-O 3.13Å; R297-V374 PolarHBondContact NH2-O 2.86Å; R297-L376 HydrophobicContact CG-CD1 4.14Å; R297-L376 HydrophobicContact CG-CD2 3.86Å; R297-L376 HydrophobicContact CG-CG 4.07Å; R297-L376 VanDerWaalsContact NH1-CD1 3.32Å; R297-L376 WeakPolarHBondContact O-CD2 3.42Å; R297-T400 PolarHBondContact NH1-OG1 3.34Å; R297-T400 PolarHBondContact NH2-OG1 3.3Å; R297-E404 IonicContact NH2-OE2 3.51Å; R297-E404 PolarHBondContact NH2-OE2 3.23Å; R297-E404 VanDerWaalsContact NH2-OE2 3.1Å |
| 298 | W | 92.6 | Very high | 87 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 9% | 0.087 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -42.9 | 171.4 | -91.5 | 102.3 | 0 | 0 | 0 | 112.7 | I268 C284 I293 N294 H295 R301 Q302 V374 | I268-W298 HydrophobicContact CG2-CB 4.4Å; C284-W298 HydrophobicContact CB-CZ2 3.89Å; I293-W298 VanDerWaalsContact CG2-CD1 3.43Å; N294-W298 PolarHBondContact O-N 3.19Å; N294-W298 VanDerWaalsContact O-N 3.13Å; H295-W298 PolarHBondContact O-N 3.19Å; W298-R301 WeakPolarHBondContact O-CB 3.38Å; W298-R301 PolarHBondContact O-N 3.2Å; W298-Q302 WeakPolarHBondContact O-CG 3.49Å; W298-Q302 PolarHBondContact O-N 2.86Å; W298-Q302 VanDerWaalsContact O-N 3.08Å; W298-V374 HydrophobicContact CD2-CG1 4.19Å; W298-V374 HydrophobicContact CD2-CG2 4.46Å; W298-V374 HydrophobicContact CG-CG1 4.26Å; W298-V374 HydrophobicContact CG-CG2 4.26Å |
| 299 | I | 96.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 175.9 | -68.9 | 159.1 | 0 | 0 | 0 | 110.3 | V250 L256 V265 I268 V269 H295 A296 R301 Q302 A303 V317 T319 | V250-I299 HydrophobicContact CG1-CD1 4.34Å; V250-I299 HydrophobicContact CG2-CD1 4.29Å; L256-I299 HydrophobicContact CD1-CG2 3.46Å; L256-I299 VanDerWaalsContact CD1-CG2 3.46Å; L256-I299 HydrophobicContact CD2-CG2 3.99Å; L256-I299 HydrophobicContact CG-CG2 4.39Å; V265-I299 HydrophobicContact CG1-CD1 3.86Å; V265-I299 HydrophobicContact CG1-CG1 4.33Å; V265-I299 HydrophobicContact CG1-CG2 4.49Å; V265-I299 HydrophobicContact CG2-CG2 4.26Å; I268-I299 HydrophobicContact CB-CG1 4.46Å; I268-I299 HydrophobicContact CG2-CG1 4Å; V269-I299 HydrophobicContact CG2-CD1 3.93Å; H295-I299 WeakPolarHBondContact O-CD1 3.45Å; H295-I299 WeakPolarHBondContact O-CG1 3.44Å; H295-I299 PolarHBondContact O-N 3.2Å; A296-I299 PolarHBondContact O-N 2.98Å; I299-R301 VanDerWaalsContact C-N 3.33Å; I299-R301 PolarHBondContact O-N 3.2Å; I299-Q302 PolarHBondContact O-N 3.36Å; I299-Q302 VanDerWaalsContact O-N 3.15Å; I299-A303 PolarHBondContact O-N 2.89Å; I299-V317 HydrophobicContact CB-CG1 4.28Å; I299-V317 HydrophobicContact CD1-CG1 4.41Å; I299-V317 HydrophobicContact CG2-CG1 4.01Å; I299-V317 HydrophobicContact CG2-CG2 4.38Å; I299-T319 WeakPolarHBondContact CD1-OG1 3.45Å |
| 300 | A | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | C16 A296 R297 Q302 A303 L304 I315 V317 | C16-A300 HydrophobicContact CB-CB 4.11Å; C16-A300 VanDerWaalsContact SG-CB 3.53Å; A296-A300 WeakPolarHBondContact O-CB 3.46Å; A296-A300 PolarHBondContact O-N 3.23Å; R297-A300 PolarHBondContact O-N 2.79Å; A300-Q302 PolarHBondContact O-N 3.11Å; A300-A303 WeakPolarHBondContact O-CB 3.44Å; A300-A303 PolarHBondContact O-N 3.19Å; A300-L304 WeakPolarHBondContact O-CG 3.31Å; A300-L304 PolarHBondContact O-N 3.13Å; A300-I315 HydrophobicContact CB-CG2 4.42Å; A300-V317 HydrophobicContact CB-CG2 4.34Å |
| 301 | R | 92.7 | Very high | 92 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 26% | 0.26 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 172.8 | -177.8 | 179.7 | 173.5 | 143.9 | -7.5 | 111.6 | R297 W298 I299 A303 L304 I305 V374 E375 L376 | R297-R301 WeakPolarHBondContact O-CB 3.29Å; R297-R301 PolarHBondContact O-N 2.82Å; W298-R301 WeakPolarHBondContact O-CB 3.38Å; W298-R301 PolarHBondContact O-N 3.2Å; I299-R301 VanDerWaalsContact C-N 3.33Å; I299-R301 PolarHBondContact O-N 3.2Å; R301-A303 VanDerWaalsContact C-N 3.31Å; R301-A303 PolarHBondContact O-N 3.02Å; R301-L304 PolarHBondContact O-N 3.45Å; R301-I305 HydrophobicContact CG-CD1 4.05Å; R301-I305 WeakPolarHBondContact O-CG1 2.93Å; R301-I305 PolarHBondContact O-N 2.95Å; R301-V374 HydrophobicContact CB-CG1 4.44Å; R301-E375 WeakPolarHBondContact CD-O 3.48Å; R301-E375 PolarHBondContact NH1-O 3.2Å; R301-L376 HydrophobicContact CB-CD2 3.72Å |
| 302 | Q | 93.4 | Very high | 92.4 | Very high | 23 Ų | 23 | 39.7 Ų | 39.7 | 11% | 0.107 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -35.7 | 179.1 | -64.4 | -56.1 | -34 | 0 | 0 | 111.9 | L260 I268 W281 W298 I299 A300 I305 R306 | L260-Q302 HydrophobicContact CD1-CB 4.14Å; I268-Q302 HydrophobicContact CD1-CB 3.69Å; I268-Q302 HydrophobicContact CD1-CG 3.76Å; I268-Q302 HydrophobicContact CG1-CG 4.14Å; I268-Q302 HydrophobicContact CG2-CG 4.39Å; W281-Q302 HydrophobicContact CE3-CG 4.12Å; W281-Q302 HydrophobicContact CZ3-CB 4.03Å; W281-Q302 HydrophobicContact CZ3-CG 3.85Å; W281-Q302 VanDerWaalsContact CZ3-OE1 3.32Å; W298-Q302 WeakPolarHBondContact O-CG 3.49Å; W298-Q302 PolarHBondContact O-N 2.86Å; W298-Q302 VanDerWaalsContact O-N 3.08Å; I299-Q302 PolarHBondContact O-N 3.36Å; I299-Q302 VanDerWaalsContact O-N 3.15Å; A300-Q302 PolarHBondContact O-N 3.11Å; Q302-I305 PolarHBondContact O-N 3.49Å; Q302-R306 VanDerWaalsContact O-CG 3.28Å; Q302-R306 WeakPolarHBondContact O-CG 3.39Å; Q302-R306 PolarHBondContact O-N 3.47Å |
| 303 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L256 V259 L260 I299 A300 R301 I305 R306 W307 I315 | L256-A303 HydrophobicContact CD1-CB 3.95Å; V259-A303 HydrophobicContact CG2-CB 3.88Å; L260-A303 HydrophobicContact CD1-CB 4.22Å; I299-A303 PolarHBondContact O-N 2.89Å; A300-A303 WeakPolarHBondContact O-CB 3.44Å; A300-A303 PolarHBondContact O-N 3.19Å; R301-A303 VanDerWaalsContact C-N 3.31Å; R301-A303 PolarHBondContact O-N 3.02Å; A303-I305 VanDerWaalsContact C-N 3.34Å; A303-I305 PolarHBondContact O-N 3.19Å; A303-R306 PolarHBondContact O-N 2.88Å; A303-R306 VanDerWaalsContact O-N 3.1Å; A303-W307 PolarHBondContact O-N 2.93Å; A303-I315 HydrophobicContact CB-CD1 4.19Å |
| 304 | L | 91.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 176.7 | -69.8 | 168.3 | 0 | 0 | 0 | 112.2 | A300 R301 R306 W307 G308 I315 L376 Y378 | A300-L304 WeakPolarHBondContact O-CG 3.31Å; A300-L304 PolarHBondContact O-N 3.13Å; R301-L304 PolarHBondContact O-N 3.45Å; L304-R306 VanDerWaalsContact C-N 3.32Å; L304-R306 PolarHBondContact O-N 2.65Å; L304-W307 PolarHBondContact O-N 2.79Å; L304-G308 PolarHBondContact O-N 3.35Å; L304-I315 HydrophobicContact CD2-CD1 3.6Å; L304-I315 HydrophobicContact CG-CD1 3.96Å; L304-L376 HydrophobicContact CD1-CB 4.11Å; L304-L376 HydrophobicContact CD1-CD2 4.37Å; L304-Y378 HydrophobicContact CD2-CD2 3.7Å; L304-Y378 HydrophobicContact CD2-CE2 4.49Å; L304-Y378 HydrophobicContact CD2-CG 4.33Å |
| 305 | I | 90.7 | Very high | 93.3 | Very high | 72 Ų | 72 | 37.7 Ų | 37.7 | 37% | 0.369 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 174.8 | -68.5 | 166.2 | 0 | 0 | 0 | 110.7 | R301 Q302 A303 G308 | R301-I305 HydrophobicContact CG-CD1 4.05Å; R301-I305 WeakPolarHBondContact O-CG1 2.93Å; R301-I305 PolarHBondContact O-N 2.95Å; Q302-I305 PolarHBondContact O-N 3.49Å; A303-I305 VanDerWaalsContact C-N 3.34Å; A303-I305 PolarHBondContact O-N 3.19Å; I305-G308 WeakPolarHBondContact O-CA 3.05Å; I305-G308 PolarHBondContact O-N 2.83Å; I305-G308 VanDerWaalsContact O-N 3.08Å |
| 306 | R | 92.9 | Very high | 93.4 | Very high | 85 Ų | 85 | 37.6 Ų | 37.6 | 32% | 0.321 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -70.5 | -29.7 | 179.7 | -70.3 | -64.9 | -173.8 | 103.4 | 2.5 | 113.8 | V259 L260 Q302 A303 L304 G308 | V259-R306 HydrophobicContact CB-CB 3.8Å; V259-R306 HydrophobicContact CG1-CB 4.49Å; V259-R306 HydrophobicContact CG2-CB 4.18Å; L260-R306 HydrophobicContact CD2-CG 3.94Å; Q302-R306 VanDerWaalsContact O-CG 3.28Å; Q302-R306 WeakPolarHBondContact O-CG 3.39Å; Q302-R306 PolarHBondContact O-N 3.47Å; A303-R306 PolarHBondContact O-N 2.88Å; A303-R306 VanDerWaalsContact O-N 3.1Å; L304-R306 VanDerWaalsContact C-N 3.32Å; L304-R306 PolarHBondContact O-N 2.65Å; R306-G308 PolarHBondContact O-N 3.28Å |
| 307 | W | 92.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 13% | 0.129 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63 | -34.2 | 167.9 | -81.3 | 108.9 | 0 | 0 | 0 | 111.6 | G255 N258 V259 A303 L304 R309 L310 A312 D313 | G255-W307 PolarHBondContact O-NE1 3.1Å; N258-W307 HydrophobicContact CB-CH2 4.46Å; N258-W307 HydrophobicContact CB-CZ2 4.18Å; V259-W307 HydrophobicContact CG1-CD2 3.7Å; V259-W307 HydrophobicContact CG1-CE3 4.25Å; V259-W307 HydrophobicContact CG1-CG 3.96Å; V259-W307 HydrophobicContact CG1-CZ2 4.09Å; A303-W307 PolarHBondContact O-N 2.93Å; L304-W307 PolarHBondContact O-N 2.79Å; W307-R309 PolarHBondContact O-N 3.47Å; W307-L310 HydrophobicContact CE3-CB 3.94Å; W307-L310 HydrophobicContact CZ3-CB 4.44Å; W307-L310 VanDerWaalsContact O-CB 3.32Å; W307-L310 WeakPolarHBondContact O-CB 3.07Å; W307-L310 PolarHBondContact O-N 3.35Å; W307-A312 HydrophobicContact CB-CB 3.93Å; W307-A312 HydrophobicContact CD2-CB 3.8Å; W307-A312 HydrophobicContact CE3-CB 4.45Å; W307-A312 HydrophobicContact CG-CB 3.51Å; W307-D313 HydrophobicContact CZ2-CB 4.37Å |
| 308 | G | 89.6 | Confident | 93.7 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 28% | 0.278 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -119.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L304 I305 R306 G380 | L304-G308 PolarHBondContact O-N 3.35Å; I305-G308 WeakPolarHBondContact O-CA 3.05Å; I305-G308 PolarHBondContact O-N 2.83Å; I305-G308 VanDerWaalsContact O-N 3.08Å; R306-G308 PolarHBondContact O-N 3.28Å; G308-G380 VanDerWaalsContact O-CA 3.23Å; G308-G380 WeakPolarHBondContact O-CA 2.97Å; G308-G380 PolarHBondContact O-N 2.73Å |
| 309 | R | 89.6 | Confident | 94 | Very high | 188 Ų | 188 | 36.4 Ų | 36.4 | 71% | 0.709 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.5 | -179.9 | -72.4 | -172.2 | 160.5 | 170 | -1.5 | 114.8 | W307 T381 | W307-R309 PolarHBondContact O-N 3.47Å; R309-T381 PolarHBondContact O-N 3.29Å; R309-T381 VanDerWaalsContact O-N 3.16Å; R309-T381 PolarHBondContact O-OG1 3.31Å |
| 310 | L | 90.6 | Very high | 94 | Very high | 118 Ų | 118 | 36.5 Ų | 36.5 | 62% | 0.618 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -67.6 | 158.7 | 178.6 | -60.4 | 178.2 | 0 | 0 | 0 | 109.9 | W307 A312 Y378 G380 | W307-L310 HydrophobicContact CE3-CB 3.94Å; W307-L310 HydrophobicContact CZ3-CB 4.44Å; W307-L310 VanDerWaalsContact O-CB 3.32Å; W307-L310 WeakPolarHBondContact O-CB 3.07Å; W307-L310 PolarHBondContact O-N 3.35Å; L310-A312 PolarHBondContact O-N 3.08Å; L310-A312 VanDerWaalsContact O-N 3.16Å; L310-Y378 PolarHBondContact O-OH 3.02Å; L310-G380 WeakPolarHBondContact O-CA 3.36Å |
| 311 | R | 90.7 | Very high | 94 | Very high | 121 Ų | 121 | 36.8 Ų | 36.8 | 46% | 0.457 | 16% | 0.164 | S | C | . | . | trans | -72.8 | 106.1 | 172 | -176.3 | -175.2 | 68.6 | -101.2 | -4.3 | 108.2 | G21 Y378 T381 | G21-R311 WeakPolarHBondContact O-CG 3.45Å; R311-Y378 WeakPolarHBondContact CA-OH 3.31Å; R311-T381 WeakPolarHBondContact CA-O 3.35Å; R311-T381 WeakPolarHBondContact CG-O 3.4Å | ||
| 312 | A | 91.9 | Very high | 94 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -64.7 | 150.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G21 W307 L310 Y378 | G21-A312 WeakPolarHBondContact CA-O 3.42Å; G21-A312 PolarHBondContact N-O 2.74Å; W307-A312 HydrophobicContact CB-CB 3.93Å; W307-A312 HydrophobicContact CD2-CB 3.8Å; W307-A312 HydrophobicContact CE3-CB 4.45Å; W307-A312 HydrophobicContact CG-CB 3.51Å; L310-A312 PolarHBondContact O-N 3.08Å; L310-A312 VanDerWaalsContact O-N 3.16Å; A312-Y378 HydrophobicContact CB-CD2 4.28Å; A312-Y378 HydrophobicContact CB-CE2 3.47Å; A312-Y378 VanDerWaalsContact CB-CE2 3.47Å; A312-Y378 PolarHBondContact N-OH 3.19Å | ||
| 313 | D | 93.7 | Very high | 93.5 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 10% | 0.102 | 16% | 0.156 | C | C | . | . | trans | -77.3 | 179.4 | 169.3 | -132.3 | -38.7 | 0 | 0 | 0 | 112.4 | G20 R22 W307 I315 | G20-D313 WeakPolarHBondContact CA-O 3.5Å; R22-D313 WeakPolarHBondContact CG-OD1 3.48Å; R22-D313 IonicContact CZ-OD1 2.8Å; R22-D313 IonicContact CZ-OD2 3.3Å; R22-D313 IonicContact NE-OD1 3.22Å; R22-D313 PolarHBondContact NE-OD1 3.46Å; R22-D313 IonicContact NE-OD2 2.76Å; R22-D313 IonicContact NH1-OD1 2.96Å; R22-D313 IonicContact NH2-OD1 2.59Å; R22-D313 PolarHBondContact NH2-OD1 2.77Å; R22-D313 IonicContact NH2-OD2 2.96Å; R22-D313 PolarHBondContact NH2-OD2 3.14Å; W307-D313 HydrophobicContact CZ2-CB 4.37Å; D313-I315 WeakPolarHBondContact O-CG1 3.4Å; D313-I315 PolarHBondContact O-N 3.24Å | ||
| 314 | N | 95.2 | Very high | 92.2 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | trans | -59.7 | 131.5 | 159.3 | -66.9 | 165.8 | 0 | 0 | 0 | 109.4 | Q19 Y24 M25 E26 D27 S253 G255 | Q19-N314 PolarHBondContact O-ND2 3.5Å; Y24-N314 PolarHBondContact O-ND2 3.37Å; Y24-N314 PolarHBondContact O-OD1 2.91Å; M25-N314 WeakPolarHBondContact CA-OD1 3.26Å; M25-N314 HydrophobicContact CE-CB 4.25Å; M25-N314 HydrophobicContact SD-CB 3.6Å; E26-N314 PolarHBondContact N-OD1 2.74Å; D27-N314 HydrophobicContact CB-CB 4.41Å; D27-N314 VanDerWaalsContact CG-CB 3.5Å; D27-N314 WeakPolarHBondContact OD1-CB 3.32Å; S253-N314 PolarHBondContact OG-O 2.97Å; S253-N314 VanDerWaalsContact OG-O 3.04Å; G255-N314 WeakPolarHBondContact CA-O 3.49Å | ||
| 315 | I | 96.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115 | -177.9 | -51.6 | -177.8 | 0 | 0 | 0 | 107.7 | C17 N18 A300 A303 L304 D313 V317 | C17-I315 CarbonylContact C-O 3.59Å; C17-I315 VanDerWaalsContact CA-O 3.3Å; C17-I315 WeakPolarHBondContact CA-O 3.41Å; N18-I315 PolarHBondContact N-O 3.49Å; N18-I315 PolarHBondContact O-N 3.49Å; A300-I315 HydrophobicContact CB-CG2 4.42Å; A303-I315 HydrophobicContact CB-CD1 4.19Å; L304-I315 HydrophobicContact CD2-CD1 3.6Å; L304-I315 HydrophobicContact CG-CD1 3.96Å; D313-I315 WeakPolarHBondContact O-CG1 3.4Å; D313-I315 PolarHBondContact O-N 3.24Å; I315-V317 HydrophobicContact CG2-CG2 4Å |
| 316 | S | 98.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.6 | 173.2 | -64 | 0 | 0 | 0 | 0 | 109.3 | C17 M25 D27 G252 S253 | C17-S316 PolarHBondContact SG-OG 2.92Å; M25-S316 WeakPolarHBondContact CE-OG 3.47Å; D27-S316 WeakPolarHBondContact CB-OG 3.34Å; D27-S316 WeakPolarHBondContact OD2-CB 3.43Å; D27-S316 PolarHBondContact OD2-OG 2.85Å; G252-S316 CarbonylContact C-O 3.57Å; G252-S316 WeakPolarHBondContact CA-O 3.31Å; S253-S316 PolarHBondContact N-O 3.48Å; S253-S316 PolarHBondContact OG-N 3.25Å |
| 317 | V | 98.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.2 | -178.2 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | V15 C16 V250 I251 L256 A296 I299 A300 I315 | V15-V317 CarbonylContact C-O 3.54Å; V15-V317 WeakPolarHBondContact CA-O 3.5Å; C16-V317 PolarHBondContact N-O 2.93Å; C16-V317 PolarHBondContact O-N 3Å; V250-V317 HydrophobicContact CG1-CG1 3.92Å; I251-V317 CarbonylContact O-C 3.54Å; I251-V317 WeakPolarHBondContact O-CA 3.42Å; L256-V317 HydrophobicContact CB-CG2 4.36Å; L256-V317 HydrophobicContact CD2-CG1 4.21Å; L256-V317 HydrophobicContact CD2-CG2 3.98Å; A296-V317 HydrophobicContact CB-CB 4.19Å; A296-V317 HydrophobicContact CB-CG1 4.06Å; A296-V317 WeakPolarHBondContact CB-O 3.17Å; I299-V317 HydrophobicContact CB-CG1 4.28Å; I299-V317 HydrophobicContact CD1-CG1 4.41Å; I299-V317 HydrophobicContact CG2-CG1 4.01Å; I299-V317 HydrophobicContact CG2-CG2 4.38Å; A300-V317 HydrophobicContact CB-CG2 4.34Å; I315-V317 HydrophobicContact CG2-CG2 4Å |
| 318 | I | 98.9 | Very high | 83 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.5 | 167.6 | -55.6 | 176.1 | 0 | 0 | 0 | 107.1 | V13 S14 V15 V29 I31 L46 A47 V48 V250 I251 V320 | V13-I318 HydrophobicContact CG1-CG2 4.2Å; S14-I318 WeakPolarHBondContact O-CA 3.45Å; V15-I318 HydrophobicContact CG1-CG1 4.36Å; V15-I318 HydrophobicContact CG2-CG1 4.27Å; V15-I318 HydrophobicContact CG2-CG2 4.33Å; V29-I318 HydrophobicContact CB-CD1 4.19Å; V29-I318 HydrophobicContact CG1-CD1 4.46Å; V29-I318 HydrophobicContact CG1-CG1 4.48Å; I31-I318 HydrophobicContact CD1-CD1 4.13Å; I31-I318 HydrophobicContact CG1-CD1 4.16Å; L46-I318 HydrophobicContact CD2-CG2 3.94Å; A47-I318 VanDerWaalsContact O-CD1 3.3Å; A47-I318 WeakPolarHBondContact O-CD1 3.12Å; V48-I318 HydrophobicContact CG2-CD1 3.88Å; V48-I318 HydrophobicContact CG2-CG1 4.03Å; V250-I318 CarbonylContact C-O 3.49Å; V250-I318 VanDerWaalsContact CA-O 3.29Å; V250-I318 WeakPolarHBondContact CA-O 3.29Å; I251-I318 HydrophobicContact CB-CB 4.33Å; I251-I318 PolarHBondContact N-O 3.24Å; I251-I318 PolarHBondContact O-N 2.92Å; I318-V320 HydrophobicContact CG2-CG2 4.5Å |
| 319 | T | 98.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.2 | 174.1 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | V13 S14 V250 V269 H295 I299 L321 | V13-T319 CarbonylContact C-O 3.42Å; V13-T319 WeakPolarHBondContact CA-O 3.41Å; S14-T319 PolarHBondContact N-O 2.82Å; S14-T319 PolarHBondContact O-N 3.13Å; V250-T319 HydrophobicContact CG2-CG2 4.01Å; V269-T319 HydrophobicContact CG2-CG2 4.41Å; H295-T319 HydrophobicContact CB-CG2 3.7Å; I299-T319 WeakPolarHBondContact CD1-OG1 3.45Å; T319-L321 HydrophobicContact CG2-CD2 4.25Å |
| 320 | V | 97.9 | Very high | 78.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.4 | 174.2 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | L11 R12 V13 L46 I125 C248 L249 I318 F322 | L11-V320 HydrophobicContact CB-CG1 4.04Å; L11-V320 HydrophobicContact CD2-CG1 4.07Å; L11-V320 HydrophobicContact CG-CG1 4.45Å; R12-V320 CarbonylContact O-C 3.57Å; R12-V320 WeakPolarHBondContact O-CA 3.49Å; V13-V320 HydrophobicContact CG1-CG2 4.33Å; V13-V320 HydrophobicContact CG2-CG1 4.37Å; V13-V320 HydrophobicContact CG2-CG2 4.1Å; L46-V320 HydrophobicContact CD1-CG2 3.47Å; L46-V320 VanDerWaalsContact CD1-CG2 3.47Å; L46-V320 HydrophobicContact CD2-CG2 4.03Å; L46-V320 HydrophobicContact CG-CG2 4.4Å; I125-V320 HydrophobicContact CD1-CG1 4.14Å; C248-V320 CarbonylContact C-O 3.56Å; C248-V320 WeakPolarHBondContact CA-O 3.33Å; C248-V320 VanDerWaalsContact CB-O 3.3Å; C248-V320 WeakPolarHBondContact CB-O 3.48Å; L249-V320 HydrophobicContact CB-CB 4.34Å; L249-V320 PolarHBondContact N-O 2.81Å; L249-V320 PolarHBondContact O-N 3.05Å; I318-V320 HydrophobicContact CG2-CG2 4.5Å; V320-F322 HydrophobicContact CG1-CD1 4.45Å; V320-F322 HydrophobicContact CG1-CE1 4.14Å |
| 321 | L | 95.5 | Very high | 77.3 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 134 | 169.5 | -55.6 | 179.9 | 0 | 0 | 0 | 109.9 | L11 R12 V247 C248 V269 T319 D323 | L11-L321 WeakPolarHBondContact CA-O 3.42Å; R12-L321 HydrophobicContact CB-CB 4.22Å; R12-L321 PolarHBondContact N-O 3.49Å; R12-L321 VanDerWaalsContact N-O 3.09Å; R12-L321 PolarHBondContact O-N 3.21Å; V247-L321 WeakPolarHBondContact O-CA 3.39Å; C248-L321 HydrophobicContact CB-CD2 3.61Å; V269-L321 HydrophobicContact CG1-CD2 3.8Å; T319-L321 HydrophobicContact CG2-CD2 4.25Å; L321-D323 PolarHBondContact O-N 3.44Å |
| 322 | F | 92.5 | Very high | 76.3 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 91.6 | 176.2 | -58.3 | -56.6 | 0 | 0 | 0 | 109.8 | L11 I125 L242 D246 V247 L249 V320 R324 | L11-F322 HydrophobicContact CD2-CD1 3.48Å; L11-F322 VanDerWaalsContact CD2-CD1 3.48Å; L11-F322 HydrophobicContact CD2-CE1 3.91Å; I125-F322 HydrophobicContact CD1-CE1 4.08Å; L242-F322 HydrophobicContact CD1-CD1 4.48Å; L242-F322 HydrophobicContact CD1-CE1 3.99Å; L242-F322 HydrophobicContact CD1-CZ 4.09Å; L242-F322 HydrophobicContact CD2-CE2 3.88Å; L242-F322 HydrophobicContact CD2-CZ 3.84Å; D246-F322 HydrophobicContact CB-CD2 4.23Å; D246-F322 HydrophobicContact CB-CE2 4.42Å; V247-F322 PolarHBondContact O-N 3.44Å; L249-F322 HydrophobicContact CB-CE2 4.1Å; L249-F322 HydrophobicContact CB-CZ 3.81Å; V320-F322 HydrophobicContact CG1-CD1 4.45Å; V320-F322 HydrophobicContact CG1-CE1 4.14Å; F322-R324 PolarHBondContact O-N 3.13Å |
| 323 | D | 82.8 | Confident | 75.5 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | trans | -72.7 | 129.6 | -179.7 | -71 | -23.3 | 0 | 0 | 0 | 110.6 | R10 R12 L321 C325 H360 | R10-D323 HydrophobicContact CB-CB 3.94Å; R10-D323 PolarHBondContact O-N 2.81Å; R10-D323 VanDerWaalsContact O-N 3.14Å; R12-D323 WeakPolarHBondContact CD-OD2 3.44Å; R12-D323 WeakPolarHBondContact CG-OD2 3.44Å; R12-D323 IonicContact CZ-OD1 3.87Å; R12-D323 IonicContact CZ-OD2 3.49Å; R12-D323 IonicContact NE-OD1 3.56Å; R12-D323 PolarHBondContact NE-OD1 2.99Å; R12-D323 VanDerWaalsContact NE-OD1 3.16Å; R12-D323 IonicContact NE-OD2 2.82Å; R12-D323 PolarHBondContact NE-OD2 2.99Å; R12-D323 IonicContact NH2-OD1 3.65Å; R12-D323 PolarHBondContact NH2-OD1 2.74Å; R12-D323 IonicContact NH2-OD2 3.03Å; L321-D323 PolarHBondContact O-N 3.44Å; D323-C325 PolarHBondContact O-N 3.24Å; D323-H360 IonicContact OD2-CE1 3.82Å; D323-H360 IonicContact OD2-NE2 3.94Å | ||
| 324 | R | 67.1 | Low | 75 | Confident | 153 Ų | 153 | 45.8 Ų | 45.8 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | trans | -72.2 | 119.7 | 178.1 | -66.6 | -176.5 | 175.3 | 179.7 | -0.1 | 110.2 | P244 F322 G326 | P244-R324 PolarHBondContact O-NH2 3.3Å; F322-R324 PolarHBondContact O-N 3.13Å; R324-G326 PolarHBondContact O-N 3.03Å | ||
| 325 | C | 49.4 | Very low | 74.3 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 96.3 | 161.1 | -72.2 | 0 | 0 | 0 | 0 | 108.4 | G7 D323 | G7-C325 VanDerWaalsContact O-CB 3.3Å; G7-C325 WeakPolarHBondContact O-CB 3.46Å; G7-C325 PolarHBondContact O-N 3.29Å; G7-C325 PolarHBondContact O-SG 3.25Å; D323-C325 PolarHBondContact O-N 3.24Å |
| 326 | G | 46.4 | Very low | 73.7 | Confident | 67 Ų | 67 | 61 Ų | 61 | 69% | 0.691 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 170.4 | -28.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R324 G328 | R324-G326 PolarHBondContact O-N 3.03Å; G326-G328 PolarHBondContact O-N 2.82Å; G326-G328 VanDerWaalsContact O-N 3.13Å |
| 327 | N | 42 | Very low | 73.1 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 73% | 0.733 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -73.1 | 109.2 | 162 | -75.1 | -4.4 | 0 | 0 | 0 | 105.9 | A329 | N327-A329 PolarHBondContact O-N 3.49Š|
| 328 | G | 37.1 | Very low | 72.8 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 86% | 0.856 | 39% | 0.387 | S | S | * | . | trans | -55.8 | 16 | -178 | 0 | 0 | 0 | 0 | 0 | 116.6 | G326 S330 | G326-G328 PolarHBondContact O-N 2.82Å; G326-G328 VanDerWaalsContact O-N 3.13Å; G328-S330 PolarHBondContact O-N 3.32Å | ||
| 329 | A | 44.4 | Very low | 72.4 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | trans | -61.5 | 87 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | R10 N327 S331 | R10-A329 PolarHBondContact NH1-O 2.86Å; N327-A329 PolarHBondContact O-N 3.49Å; A329-S331 PolarHBondContact O-N 3.37Å | ||
| 330 | S | 47.2 | Very low | 72 | Confident | 103 Ų | 103 | 68 Ų | 68 | 72% | 0.72 | 41% | 0.412 | S | S | * | . | -52.5 | 85.8 | 129.9 | -178.2 | 0 | 0 | 0 | 0 | 105.2 | G328 S332 | G328-S330 PolarHBondContact O-N 3.32Å; S330-S332 PolarHBondContact O-N 2.94Å | |||
| 331 | S | 56.9 | Low | 71.7 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | trans | -71.7 | 82.4 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 105.7 | A329 Y333 R362 | A329-S331 PolarHBondContact O-N 3.37Å; S331-Y333 PolarHBondContact O-N 3.49Å; S331-Y333 VanDerWaalsContact O-N 3.1Å; S331-R362 PolarHBondContact O-NH2 3.44Å; S331-R362 PolarHBondContact OG-NH2 3.1Å | ||
| 332 | S | 69.9 | Low | 71.4 | Confident | 108 Ų | 108 | 74.8 Ų | 74.8 | 76% | 0.755 | 45% | 0.446 | S | S | * | . | trans | -61.8 | 111.4 | 160.1 | -178 | 0 | 0 | 0 | 0 | 105.2 | S330 | S330-S332 PolarHBondContact O-N 2.94Š| ||
| 333 | Y | 76.5 | Confident | 71.1 | Confident | 33 Ų | 33 | 80.9 Ų | 80.9 | 13% | 0.129 | 47% | 0.474 | C | S | . | . | trans | -66.4 | 148.8 | 168.2 | -68.2 | -63.2 | 0 | 0 | 0 | 109 | E292 S331 R335 H360 L367 L369 | E292-Y333 HydrophobicContact CG-CE1 4.13Å; E292-Y333 WeakPolarHBondContact OE1-CE1 3.24Å; S331-Y333 PolarHBondContact O-N 3.49Å; S331-Y333 VanDerWaalsContact O-N 3.1Å; Y333-R335 PolarHBondContact O-N 2.83Å; Y333-H360 AromaticContact CE2-ND1 3.44Å; Y333-H360 WeakPolarHBondContact CE2-ND1 3.31Å; Y333-H360 AromaticContact CZ-ND1 3.53Å; Y333-H360 PolarHBondContact OH-CE1 3.08Å; Y333-H360 PolarHBondContact OH-ND1 3.48Å; Y333-L367 HydrophobicContact CD2-CD2 3.92Å; Y333-L367 HydrophobicContact CE2-CD2 4.45Å; Y333-L369 HydrophobicContact CD1-CD1 4.13Å; Y333-L369 HydrophobicContact CD1-CD2 4.26Å; Y333-L369 HydrophobicContact CD2-CD1 3.88Å; Y333-L369 HydrophobicContact CD2-CD2 3.59Å; Y333-L369 HydrophobicContact CD2-CG 4.39Å; Y333-L369 HydrophobicContact CE1-CD1 3.73Å; Y333-L369 HydrophobicContact CE2-CD1 3.39Å; Y333-L369 HydrophobicContact CE2-CD2 3.99Å; Y333-L369 HydrophobicContact CE2-CG 4.31Å; Y333-L369 HydrophobicContact CG-CD1 4.21Å; Y333-L369 HydrophobicContact CG-CD2 3.72Å | ||
| 334 | S | 81.3 | Confident | 71.2 | Confident | 69 Ų | 69 | 84.7 Ų | 84.7 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | trans | -59.5 | 141 | 168.7 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | S336 S337 V338 | S334-S336 PolarHBondContact O-N 2.81Å; S334-S336 PolarHBondContact OG-N 3.31Å; S334-S336 PolarHBondContact OG-OG 3.25Å; S334-S337 PolarHBondContact N-OG 3.05Å; S334-S337 PolarHBondContact O-N 3.41Å; S334-S337 PolarHBondContact O-OG 2.82Å; S334-V338 PolarHBondContact O-N 2.98Å | ||
| 335 | R | 80.9 | Confident | 72.3 | Confident | 236 Ų | 236 | 78.6 Ų | 78.6 | 89% | 0.891 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.3 | 174.6 | -168.5 | 175.6 | 177.3 | 94.5 | 0.7 | 112.2 | Y333 | Y333-R335 PolarHBondContact O-N 2.83Š|
| 336 | S | 85.2 | Confident | 74.5 | Confident | 87 Ų | 87 | 80.5 Ų | 80.5 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -23 | 176 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | S334 | S334-S336 PolarHBondContact O-N 2.81Å; S334-S336 PolarHBondContact OG-N 3.31Å; S334-S336 PolarHBondContact OG-OG 3.25Å |
| 337 | S | 86.2 | Confident | 76.9 | Confident | 4 Ų | 4 | 77.5 Ų | 77.5 | 3% | 0.028 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -20 | 179.1 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | S334 I339 L369 R370 | S334-S337 PolarHBondContact N-OG 3.05Å; S334-S337 PolarHBondContact O-N 3.41Å; S334-S337 PolarHBondContact O-OG 2.82Å; S337-I339 PolarHBondContact O-N 3.28Å; S337-L369 CarbonylContact O-C 3.58Å; S337-L369 WeakPolarHBondContact O-CA 3.47Å; S337-R370 PolarHBondContact O-N 3.4Å |
| 338 | V | 91 | Very high | 79.5 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 24% | 0.236 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.6 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | S334 N340 D341 L369 | S334-V338 PolarHBondContact O-N 2.98Å; V338-N340 WeakPolarHBondContact CG1-O 3.17Å; V338-D341 HydrophobicContact CG1-CB 3.9Å; V338-L369 HydrophobicContact CG2-CD2 3.97Å |
| 339 | I | 91.6 | Very high | 82.3 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 28% | 0.277 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -48.4 | 171.3 | -57.2 | 173.4 | 0 | 0 | 0 | 109.1 | S337 Q354 A357 A368 R370 | S337-I339 PolarHBondContact O-N 3.28Å; I339-Q354 HydrophobicContact CD1-CB 4.3Å; I339-Q354 HydrophobicContact CD1-CG 4.29Å; I339-Q354 HydrophobicContact CG2-CG 4.37Å; I339-A357 HydrophobicContact CD1-CB 3.73Å; I339-A368 HydrophobicContact CB-CB 4.13Å; I339-A368 WeakPolarHBondContact CB-O 3.49Å; I339-A368 PolarHBondContact N-O 2.65Å; I339-R370 HydrophobicContact CD1-CG 3.81Å; I339-R370 HydrophobicContact CG1-CB 4.49Å; I339-R370 HydrophobicContact CG1-CG 3.46Å; I339-R370 VanDerWaalsContact CG1-CG 3.46Å |
| 340 | N | 90.4 | Very high | 84.8 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 151.5 | -179.9 | -155.5 | -16.6 | 0 | 0 | 0 | 110.5 | V338 E342 L345 L367 A368 | V338-N340 WeakPolarHBondContact CG1-O 3.17Å; N340-E342 VanDerWaalsContact OD1-CG 3.23Å; N340-E342 WeakPolarHBondContact OD1-CG 3.22Å; N340-L345 HydrophobicContact CB-CD1 4.35Å; N340-L345 VanDerWaalsContact ND2-CD1 3.29Å; N340-L345 WeakPolarHBondContact ND2-CD1 3.41Å; N340-L367 CarbonylContact O-C 3.52Å; N340-L367 VanDerWaalsContact O-CA 3.3Å; N340-L367 WeakPolarHBondContact O-CA 3.24Å; N340-A368 HydrophobicContact CB-CB 4.02Å; N340-A368 PolarHBondContact N-O 3.38Å; N340-A368 PolarHBondContact O-N 2.8Å |
| 341 | D | 91.5 | Very high | 87.2 | Confident | 54 Ų | 54 | 67 Ų | 67 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 91.9 | 179.9 | 179.8 | 6.7 | 0 | 0 | 0 | 110.2 | V338 R365 L367 | V338-D341 HydrophobicContact CG1-CB 3.9Å; D341-R365 VanDerWaalsContact CG-NH2 3.29Å; D341-R365 PolarHBondContact O-NH2 3.33Å; D341-R365 IonicContact OD1-CZ 3.28Å; D341-R365 VanDerWaalsContact OD1-CZ 3.28Å; D341-R365 IonicContact OD1-NE 2.71Å; D341-R365 PolarHBondContact OD1-NE 2.95Å; D341-R365 IonicContact OD1-NH2 3.02Å; D341-R365 PolarHBondContact OD1-NH2 2.82Å; D341-R365 IonicContact OD2-CZ 3.89Å; D341-R365 IonicContact OD2-NE 3.66Å; D341-R365 IonicContact OD2-NH2 3.53Å; D341-L367 HydrophobicContact CB-CD2 4.28Å; D341-L367 HydrophobicContact CB-CG 4.08Å |
| 342 | E | 89.9 | Confident | 89 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 162.8 | -174.2 | -61.3 | -66.5 | 169.7 | 0 | 0 | 111 | N340 V344 L345 R365 V366 | N340-E342 VanDerWaalsContact OD1-CG 3.23Å; N340-E342 WeakPolarHBondContact OD1-CG 3.22Å; E342-V344 WeakPolarHBondContact CB-O 3.36Å; E342-L345 HydrophobicContact CG-CD1 4.37Å; E342-R365 CarbonylContact O-C 3.54Å; E342-R365 WeakPolarHBondContact O-CA 3.22Å; E342-V366 PolarHBondContact N-O 3.11Å; E342-V366 VanDerWaalsContact N-O 3.13Å; E342-V366 PolarHBondContact O-N 3.28Å |
| 343 | E | 84.8 | Confident | 90.1 | Very high | 137 Ų | 137 | 66 Ų | 66 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -68.6 | -41.3 | 172.6 | -67.2 | 177.7 | -179.9 | 0 | 0 | 111.4 | ||
| 344 | V | 86 | Confident | 91 | Very high | 110 Ų | 110 | 68.4 Ų | 68.4 | 67% | 0.667 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -129 | 130.7 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | E342 | E342-V344 WeakPolarHBondContact CB-O 3.36Š|
| 345 | L | 89.5 | Confident | 91.6 | Very high | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | trans | -132.2 | 138.6 | -179 | -168.9 | 67 | 0 | 0 | 0 | 109.3 | N340 E342 I347 V350 V366 A368 | N340-L345 HydrophobicContact CB-CD1 4.35Å; N340-L345 VanDerWaalsContact ND2-CD1 3.29Å; N340-L345 WeakPolarHBondContact ND2-CD1 3.41Å; E342-L345 HydrophobicContact CG-CD1 4.37Å; L345-I347 VanDerWaalsContact C-N 3.29Å; L345-I347 PolarHBondContact O-N 2.64Å; L345-V350 HydrophobicContact CD1-CG2 3.76Å; L345-V350 HydrophobicContact CD2-CB 4.35Å; L345-V350 HydrophobicContact CD2-CG1 4.42Å; L345-V350 HydrophobicContact CD2-CG2 3.89Å; L345-V350 HydrophobicContact CG-CG2 3.78Å; L345-V366 HydrophobicContact CB-CB 4.11Å; L345-V366 HydrophobicContact CB-CG1 4.03Å; L345-V366 HydrophobicContact CD2-CG1 4Å; L345-A368 HydrophobicContact CD2-CB 4.24Å | ||
| 346 | D | 95.1 | Very high | 92.1 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | trans | -73.1 | 90.3 | 163.5 | -171.2 | -23.5 | 0 | 0 | 0 | 108.5 | E348 Q349 V350 | D346-E348 VanDerWaalsContact C-N 3.27Å; D346-E348 PolarHBondContact O-N 3.15Å; D346-E348 PolarHBondContact OD1-N 2.88Å; D346-Q349 HydrophobicContact CB-CB 3.88Å; D346-Q349 PolarHBondContact O-N 3.03Å; D346-Q349 PolarHBondContact OD1-N 3.03Å; D346-V350 WeakPolarHBondContact O-CG2 3.37Å; D346-V350 PolarHBondContact O-N 3.48Å | ||
| 347 | I | 97 | Very high | 92.6 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | -175.4 | -65.3 | 176 | 0 | 0 | 0 | 110.7 | I31 C33 L345 V350 L351 V359 I361 V366 | I31-I347 HydrophobicContact CB-CG2 4.07Å; I31-I347 HydrophobicContact CG2-CB 4.48Å; I31-I347 HydrophobicContact CG2-CG2 3.62Å; C33-I347 HydrophobicContact CB-CD1 3.67Å; L345-I347 VanDerWaalsContact C-N 3.29Å; L345-I347 PolarHBondContact O-N 2.64Å; I347-V350 PolarHBondContact O-N 2.86Å; I347-L351 HydrophobicContact CG2-CD1 3.79Å; I347-L351 HydrophobicContact CG2-CG 4.37Å; I347-L351 WeakPolarHBondContact O-CB 3.46Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 3.42Å; I347-V359 HydrophobicContact CD1-CG1 4.16Å; I347-V359 HydrophobicContact CG1-CG1 4.15Å; I347-V359 HydrophobicContact CG2-CB 4.47Å; I347-V359 HydrophobicContact CG2-CG1 4.37Å; I347-V359 HydrophobicContact CG2-CG2 4.15Å; I347-I361 HydrophobicContact CD1-CD1 4Å; I347-I361 HydrophobicContact CD1-CG1 4.26Å; I347-V366 HydrophobicContact CD1-CG1 4.25Å; I347-V366 HydrophobicContact CG1-CG1 4.24Å |
| 348 | E | 97 | Very high | 93.1 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 23% | 0.229 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.2 | -44.6 | -179.4 | -65.2 | -175.9 | 167.9 | 0 | 0 | 110.8 | S30 I31 D346 L351 T352 P397 | S30-E348 WeakPolarHBondContact CA-OE1 3.24Å; S30-E348 VanDerWaalsContact CB-OE1 3.24Å; S30-E348 WeakPolarHBondContact CB-OE1 3.47Å; S30-E348 PolarHBondContact OG-OE1 2.85Å; I31-E348 PolarHBondContact N-OE1 3.04Å; I31-E348 VanDerWaalsContact O-CG 3.27Å; I31-E348 WeakPolarHBondContact O-CG 3.38Å; D346-E348 VanDerWaalsContact C-N 3.27Å; D346-E348 PolarHBondContact O-N 3.15Å; D346-E348 PolarHBondContact OD1-N 2.88Å; E348-L351 PolarHBondContact O-N 2.82Å; E348-T352 WeakPolarHBondContact O-CB 3.44Å; E348-T352 PolarHBondContact O-N 3.32Å; E348-T352 PolarHBondContact O-OG1 3.45Å; E348-P397 HydrophobicContact CB-CG 3.8Å; E348-P397 HydrophobicContact CG-CG 4.13Å |
| 349 | Q | 96.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 51 Ų | 51 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.4 | -175.3 | 58.1 | 43.9 | 0 | 0 | 111.4 | D346 L351 T352 D353 | D346-Q349 HydrophobicContact CB-CB 3.88Å; D346-Q349 PolarHBondContact O-N 3.03Å; D346-Q349 PolarHBondContact OD1-N 3.03Å; Q349-L351 PolarHBondContact O-N 3Å; Q349-T352 WeakPolarHBondContact O-CA 3.14Å; Q349-T352 WeakPolarHBondContact O-CB 3.38Å; Q349-T352 PolarHBondContact O-N 3.28Å; Q349-D353 PolarHBondContact NE2-OD1 2.83Å; Q349-D353 PolarHBondContact NE2-OD2 3.23Å; Q349-D353 PolarHBondContact O-N 2.9Å |
| 350 | V | 96.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.9 | 168.3 | 0 | 0 | 0 | 0 | 112.3 | L345 D346 I347 T352 D353 Q354 A368 | L345-V350 HydrophobicContact CD1-CG2 3.76Å; L345-V350 HydrophobicContact CD2-CB 4.35Å; L345-V350 HydrophobicContact CD2-CG1 4.42Å; L345-V350 HydrophobicContact CD2-CG2 3.89Å; L345-V350 HydrophobicContact CG-CG2 3.78Å; D346-V350 WeakPolarHBondContact O-CG2 3.37Å; D346-V350 PolarHBondContact O-N 3.48Å; I347-V350 PolarHBondContact O-N 2.86Å; V350-T352 PolarHBondContact O-N 2.88Å; V350-D353 PolarHBondContact O-N 3.33Å; V350-Q354 PolarHBondContact O-N 2.86Å; V350-A368 HydrophobicContact CG1-CB 3.59Å |
| 351 | L | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.2 | -16.9 | 176.3 | -69.1 | 176 | 0 | 0 | 0 | 112.6 | V15 I347 E348 Q349 P355 A357 V359 P397 G398 | V15-L351 HydrophobicContact CB-CD1 4.15Å; V15-L351 HydrophobicContact CG2-CD1 3.62Å; I347-L351 HydrophobicContact CG2-CD1 3.79Å; I347-L351 HydrophobicContact CG2-CG 4.37Å; I347-L351 WeakPolarHBondContact O-CB 3.46Å; I347-L351 VanDerWaalsContact O-CG 3.3Å; I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 3.42Å; E348-L351 PolarHBondContact O-N 2.82Å; Q349-L351 PolarHBondContact O-N 3Å; L351-P355 WeakPolarHBondContact O-CA 3.18Å; L351-A357 HydrophobicContact CD2-CB 4.31Å; L351-A357 WeakPolarHBondContact CD2-O 3.48Å; L351-V359 HydrophobicContact CD1-CG2 4.38Å; L351-V359 HydrophobicContact CD2-CG2 3.99Å; L351-V359 HydrophobicContact CG-CG2 4.1Å; L351-P397 HydrophobicContact CB-CB 3.9Å; L351-G398 PolarHBondContact O-N 2.76Å |
| 352 | T | 95.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.7 | -43.5 | 170.3 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | E348 Q349 V350 C395 G396 | E348-T352 WeakPolarHBondContact O-CB 3.44Å; E348-T352 PolarHBondContact O-N 3.32Å; E348-T352 PolarHBondContact O-OG1 3.45Å; Q349-T352 WeakPolarHBondContact O-CA 3.14Å; Q349-T352 WeakPolarHBondContact O-CB 3.38Å; Q349-T352 PolarHBondContact O-N 3.28Å; V350-T352 PolarHBondContact O-N 2.88Å; T352-C395 WeakPolarHBondContact CG2-SG 3.38Å; T352-G396 VanDerWaalsContact OG1-C 3.23Å |
| 353 | D | 94.1 | Very high | 93.1 | Very high | 98 Ų | 98 | 43 Ų | 43 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.1 | -30.1 | -179.9 | -66.3 | -27.6 | 0 | 0 | 0 | 112.9 | Q349 V350 | Q349-D353 PolarHBondContact NE2-OD1 2.83Å; Q349-D353 PolarHBondContact NE2-OD2 3.23Å; Q349-D353 PolarHBondContact O-N 2.9Å; V350-D353 PolarHBondContact O-N 3.33Å |
| 354 | Q | 94.2 | Very high | 93 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -132.8 | 74.9 | -179.9 | -63 | -67.5 | -40.6 | 0 | 0 | 109.7 | I339 V350 S356 A357 | I339-Q354 HydrophobicContact CD1-CB 4.3Å; I339-Q354 HydrophobicContact CD1-CG 4.29Å; I339-Q354 HydrophobicContact CG2-CG 4.37Å; V350-Q354 PolarHBondContact O-N 2.86Å; Q354-S356 PolarHBondContact O-N 3.05Å; Q354-S356 VanDerWaalsContact O-N 3.1Å; Q354-A357 HydrophobicContact CB-CB 3.9Å; Q354-A357 WeakPolarHBondContact O-CB 3.49Å; Q354-A357 PolarHBondContact O-N 3.29Å |
| 355 | P | 93.6 | Very high | 93.1 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.6 | -171.5 | 26 | -36 | 0 | 0 | 0 | 114.7 | L351 T400 | L351-P355 WeakPolarHBondContact O-CA 3.18Å; P355-T400 HydrophobicContact CB-CG2 3.76Å; P355-T400 HydrophobicContact CG-CG2 3.6Å |
| 356 | S | 92.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.2 | 173.7 | -64.4 | 0 | 0 | 0 | 0 | 113.3 | N294 Q354 T371 | N294-S356 PolarHBondContact ND2-O 3.2Å; Q354-S356 PolarHBondContact O-N 3.05Å; Q354-S356 VanDerWaalsContact O-N 3.1Å; S356-T371 VanDerWaalsContact O-CG2 3.24Å; S356-T371 WeakPolarHBondContact O-CG2 3.23Å; S356-T371 PolarHBondContact O-OG1 3.34Å |
| 357 | A | 95.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | trans | -65.6 | 158.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N294 I339 L351 Q354 L369 | N294-A357 PolarHBondContact ND2-O 3.33Å; I339-A357 HydrophobicContact CD1-CB 3.73Å; L351-A357 HydrophobicContact CD2-CB 4.31Å; L351-A357 WeakPolarHBondContact CD2-O 3.48Å; Q354-A357 HydrophobicContact CB-CB 3.9Å; Q354-A357 WeakPolarHBondContact O-CB 3.49Å; Q354-A357 PolarHBondContact O-N 3.29Å; A357-L369 WeakPolarHBondContact CA-O 3.4Å | ||
| 358 | V | 96 | Very high | 93.1 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.7 | 167.9 | 164.5 | 0 | 0 | 0 | 0 | 108.1 | R12 N294 L369 T371 | R12-V358 HydrophobicContact CB-CG1 4.15Å; R12-V358 HydrophobicContact CG-CG1 4.37Å; N294-V358 HydrophobicContact CB-CG2 4.25Å; V358-L369 PolarHBondContact N-O 3.05Å; V358-L369 PolarHBondContact O-N 3.46Å; V358-T371 HydrophobicContact CB-CG2 3.92Å; V358-T371 HydrophobicContact CG2-CG2 3.41Å; V358-T371 VanDerWaalsContact CG2-CG2 3.41Å |
| 359 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | R12 V13 I347 L351 I361 V366 L367 | R12-V359 CarbonylContact C-O 3.46Å; R12-V359 WeakPolarHBondContact CA-O 3.46Å; V13-V359 PolarHBondContact N-O 3.2Å; V13-V359 PolarHBondContact O-N 3.31Å; I347-V359 HydrophobicContact CD1-CG1 4.16Å; I347-V359 HydrophobicContact CG1-CG1 4.15Å; I347-V359 HydrophobicContact CG2-CB 4.47Å; I347-V359 HydrophobicContact CG2-CG1 4.37Å; I347-V359 HydrophobicContact CG2-CG2 4.15Å; L351-V359 HydrophobicContact CD1-CG2 4.38Å; L351-V359 HydrophobicContact CD2-CG2 3.99Å; L351-V359 HydrophobicContact CG-CG2 4.1Å; V359-I361 HydrophobicContact CG1-CG1 4.11Å; V359-V366 HydrophobicContact CG1-CG1 3.4Å; V359-L367 CarbonylContact C-O 3.57Å; V359-L367 VanDerWaalsContact CA-O 3.29Å; V359-L367 WeakPolarHBondContact CA-O 3.5Å |
| 360 | H | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 102.4 | 174.1 | -171 | 162.1 | 0 | 0 | 0 | 109.7 | L11 R12 D323 Y333 L367 L369 | L11-H360 CarbonylContact O-C 3.57Å; L11-H360 WeakPolarHBondContact O-CA 3.44Å; R12-H360 HydrophobicContact CG-CB 4.12Å; D323-H360 IonicContact OD2-CE1 3.82Å; D323-H360 IonicContact OD2-NE2 3.94Å; Y333-H360 AromaticContact CE2-ND1 3.44Å; Y333-H360 WeakPolarHBondContact CE2-ND1 3.31Å; Y333-H360 AromaticContact CZ-ND1 3.53Å; Y333-H360 PolarHBondContact OH-CE1 3.08Å; Y333-H360 PolarHBondContact OH-ND1 3.48Å; H360-L367 HydrophobicContact CB-CB 4.38Å; H360-L367 PolarHBondContact N-O 3.16Å; H360-L367 PolarHBondContact O-N 3.29Å; H360-L369 HydrophobicContact CB-CD1 4.03Å |
| 361 | I | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 115.2 | 173.4 | -55.2 | 172.9 | 0 | 0 | 0 | 108.2 | R10 L11 V13 C33 L41 V44 I347 V359 V366 | R10-I361 CarbonylContact C-O 3.2Å; R10-I361 VanDerWaalsContact CA-O 3.28Å; R10-I361 WeakPolarHBondContact CA-O 3.5Å; L11-I361 HydrophobicContact CB-CB 4.33Å; L11-I361 PolarHBondContact N-O 2.93Å; L11-I361 PolarHBondContact O-N 3.32Å; V13-I361 HydrophobicContact CG2-CD1 3.96Å; C33-I361 HydrophobicContact CB-CD1 4.18Å; L41-I361 HydrophobicContact CD1-CG2 3.92Å; L41-I361 HydrophobicContact CD2-CG2 4.28Å; V44-I361 HydrophobicContact CG1-CD1 4.01Å; V44-I361 HydrophobicContact CG2-CD1 3.87Å; V44-I361 HydrophobicContact CG2-CG2 4.49Å; I347-I361 HydrophobicContact CD1-CD1 4Å; I347-I361 HydrophobicContact CD1-CG1 4.26Å; V359-I361 HydrophobicContact CG1-CG1 4.11Å; I361-V366 HydrophobicContact CG1-CG1 4.33Å |
| 362 | R | 88.8 | Confident | 92 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | trans | -107.5 | 176 | 175.3 | -61 | -179.6 | 174.2 | -179.5 | -7.3 | 110.5 | N9 R35 S331 E364 R365 L367 | N9-R362 CarbonylContact O-C 3.51Å; N9-R362 VanDerWaalsContact O-CA 3.25Å; N9-R362 WeakPolarHBondContact O-CA 3.3Å; R35-R362 VanDerWaalsContact CZ-O 3.29Å; R35-R362 PolarHBondContact NH1-O 3.34Å; R35-R362 PolarHBondContact NH2-O 3.43Å; S331-R362 PolarHBondContact O-NH2 3.44Å; S331-R362 PolarHBondContact OG-NH2 3.1Å; R362-E364 VanDerWaalsContact C-N 3.29Å; R362-E364 PolarHBondContact O-N 3.38Å; R362-R365 WeakPolarHBondContact CA-O 3.29Å; R362-R365 WeakPolarHBondContact CB-O 3.32Å; R362-R365 PolarHBondContact N-O 3.18Å; R362-L367 HydrophobicContact CG-CD1 4.15Å | ||
| 363 | A | 82.3 | Confident | 91.4 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -52.5 | -42.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N9 R35 G39 | N9-A363 HydrophobicContact CB-CB 3.98Å; N9-A363 PolarHBondContact O-N 3.41Å; N9-A363 VanDerWaalsContact O-N 3.09Å; R35-A363 PolarHBondContact NH1-O 2.82Å; G39-A363 VanDerWaalsContact O-O 3.08Å |
| 364 | E | 83.3 | Confident | 91 | Very high | 144 Ų | 144 | 35.5 Ų | 35.5 | 67% | 0.673 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -127.1 | -2.6 | -174.5 | -65 | 168.8 | -171.7 | 0 | 0 | 113.1 | R362 | R362-E364 VanDerWaalsContact C-N 3.29Å; R362-E364 PolarHBondContact O-N 3.38Å |
| 365 | R | 88.4 | Confident | 90.5 | Very high | 100 Ų | 100 | 36.7 Ų | 36.7 | 38% | 0.377 | 18% | 0.184 | S | C | . | . | trans | -142.7 | 154.9 | -173.8 | -57.8 | -173.9 | 72.4 | 104.1 | 6.5 | 111.9 | R35 D341 E342 R362 L367 | R35-R365 PolarHBondContact NH2-O 2.87Å; R35-R365 VanDerWaalsContact NH2-O 3.13Å; D341-R365 VanDerWaalsContact CG-NH2 3.29Å; D341-R365 PolarHBondContact O-NH2 3.33Å; D341-R365 IonicContact OD1-CZ 3.28Å; D341-R365 VanDerWaalsContact OD1-CZ 3.28Å; D341-R365 IonicContact OD1-NE 2.71Å; D341-R365 PolarHBondContact OD1-NE 2.95Å; D341-R365 IonicContact OD1-NH2 3.02Å; D341-R365 PolarHBondContact OD1-NH2 2.82Å; D341-R365 IonicContact OD2-CZ 3.89Å; D341-R365 IonicContact OD2-NE 3.66Å; D341-R365 IonicContact OD2-NH2 3.53Å; E342-R365 CarbonylContact O-C 3.54Å; E342-R365 WeakPolarHBondContact O-CA 3.22Å; R362-R365 WeakPolarHBondContact CA-O 3.29Å; R362-R365 WeakPolarHBondContact CB-O 3.32Å; R362-R365 PolarHBondContact N-O 3.18Å; R365-L367 HydrophobicContact CB-CD1 4.25Å | ||
| 366 | V | 92.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.9 | 174.2 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | E342 L345 I347 V359 I361 | E342-V366 PolarHBondContact N-O 3.11Å; E342-V366 VanDerWaalsContact N-O 3.13Å; E342-V366 PolarHBondContact O-N 3.28Å; L345-V366 HydrophobicContact CB-CB 4.11Å; L345-V366 HydrophobicContact CB-CG1 4.03Å; L345-V366 HydrophobicContact CD2-CG1 4Å; I347-V366 HydrophobicContact CD1-CG1 4.25Å; I347-V366 HydrophobicContact CG1-CG1 4.24Å; V359-V366 HydrophobicContact CG1-CG1 3.4Å; I361-V366 HydrophobicContact CG1-CG1 4.33Å |
| 367 | L | 93.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.6 | -179.8 | -63.3 | 87.4 | 0 | 0 | 0 | 110.1 | Y333 N340 D341 V359 H360 R362 R365 L369 | Y333-L367 HydrophobicContact CD2-CD2 3.92Å; Y333-L367 HydrophobicContact CE2-CD2 4.45Å; N340-L367 CarbonylContact O-C 3.52Å; N340-L367 VanDerWaalsContact O-CA 3.3Å; N340-L367 WeakPolarHBondContact O-CA 3.24Å; D341-L367 HydrophobicContact CB-CD2 4.28Å; D341-L367 HydrophobicContact CB-CG 4.08Å; V359-L367 CarbonylContact C-O 3.57Å; V359-L367 VanDerWaalsContact CA-O 3.29Å; V359-L367 WeakPolarHBondContact CA-O 3.5Å; H360-L367 HydrophobicContact CB-CB 4.38Å; H360-L367 PolarHBondContact N-O 3.16Å; H360-L367 PolarHBondContact O-N 3.29Å; R362-L367 HydrophobicContact CG-CD1 4.15Å; R365-L367 HydrophobicContact CB-CD1 4.25Å; L367-L369 HydrophobicContact CB-CD2 4.13Å; L367-L369 HydrophobicContact CB-CG 4.41Å |
| 368 | A | 96 | Very high | 88.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I339 N340 L345 V350 | I339-A368 HydrophobicContact CB-CB 4.13Å; I339-A368 WeakPolarHBondContact CB-O 3.49Å; I339-A368 PolarHBondContact N-O 2.65Å; N340-A368 HydrophobicContact CB-CB 4.02Å; N340-A368 PolarHBondContact N-O 3.38Å; N340-A368 PolarHBondContact O-N 2.8Å; L345-A368 HydrophobicContact CD2-CB 4.24Å; V350-A368 HydrophobicContact CG1-CB 3.59Å |
| 369 | L | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.8 | -169.6 | -56.1 | 172.4 | 0 | 0 | 0 | 110.6 | E292 Y333 S337 V338 A357 V358 H360 L367 | E292-L369 HydrophobicContact CG-CB 4.26Å; E292-L369 HydrophobicContact CG-CD1 3.79Å; Y333-L369 HydrophobicContact CD1-CD1 4.13Å; Y333-L369 HydrophobicContact CD1-CD2 4.26Å; Y333-L369 HydrophobicContact CD2-CD1 3.88Å; Y333-L369 HydrophobicContact CD2-CD2 3.59Å; Y333-L369 HydrophobicContact CD2-CG 4.39Å; Y333-L369 HydrophobicContact CE1-CD1 3.73Å; Y333-L369 HydrophobicContact CE2-CD1 3.39Å; Y333-L369 HydrophobicContact CE2-CD2 3.99Å; Y333-L369 HydrophobicContact CE2-CG 4.31Å; Y333-L369 HydrophobicContact CG-CD1 4.21Å; Y333-L369 HydrophobicContact CG-CD2 3.72Å; S337-L369 CarbonylContact O-C 3.58Å; S337-L369 WeakPolarHBondContact O-CA 3.47Å; V338-L369 HydrophobicContact CG2-CD2 3.97Å; A357-L369 WeakPolarHBondContact CA-O 3.4Å; V358-L369 PolarHBondContact N-O 3.05Å; V358-L369 PolarHBondContact O-N 3.46Å; H360-L369 HydrophobicContact CB-CD1 4.03Å; L367-L369 HydrophobicContact CB-CD2 4.13Å; L367-L369 HydrophobicContact CB-CG 4.41Å |
| 370 | R | 92.5 | Very high | 87.4 | Confident | 120 Ų | 120 | 43.5 Ų | 43.5 | 45% | 0.453 | 21% | 0.208 | S | C | . | . | trans | -67.6 | 142.7 | 168 | -63.2 | -173 | -175.6 | -78.5 | -3.6 | 109.4 | L291 E292 S337 I339 | L291-R370 HydrophobicContact CD2-CB 4.12Å; E292-R370 PolarHBondContact N-O 2.83Å; S337-R370 PolarHBondContact O-N 3.4Å; I339-R370 HydrophobicContact CD1-CG 3.81Å; I339-R370 HydrophobicContact CG1-CB 4.49Å; I339-R370 HydrophobicContact CG1-CG 3.46Å; I339-R370 VanDerWaalsContact CG1-CG 3.46Å | ||
| 371 | T | 90.2 | Very high | 87 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -116.4 | 161.5 | 179.4 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | E292 N294 S356 V358 | E292-T371 HydrophobicContact CB-CG2 4.25Å; E292-T371 CarbonylContact O-C 3.51Å; E292-T371 WeakPolarHBondContact O-CA 3.44Å; E292-T371 WeakPolarHBondContact O-CB 3.29Å; N294-T371 HydrophobicContact CB-CG2 4.08Å; S356-T371 VanDerWaalsContact O-CG2 3.24Å; S356-T371 WeakPolarHBondContact O-CG2 3.23Å; S356-T371 PolarHBondContact O-OG1 3.34Å; V358-T371 HydrophobicContact CB-CG2 3.92Å; V358-T371 HydrophobicContact CG2-CG2 3.41Å; V358-T371 VanDerWaalsContact CG2-CG2 3.41Å |
| 372 | S | 85.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -54 | 135.8 | 162.5 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | S286 C289 E292 | S286-S372 PolarHBondContact OG-OG 3.41Å; C289-S372 PolarHBondContact SG-OG 3.42Å; E292-S372 PolarHBondContact O-N 3.34Å | ||
| 373 | P | 83.4 | Confident | 86.2 | Confident | 112 Ų | 112 | 49.6 Ų | 49.6 | 73% | 0.727 | 25% | 0.247 | S | C | * | . | trans | -58.7 | 139.1 | 176.6 | -24.6 | 34 | 0 | 0 | 0 | 111.7 | ||||
| 374 | V | 85 | Confident | 85.7 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | trans | -132.3 | 107.6 | 172.9 | -175.5 | 0 | 0 | 0 | 0 | 107.2 | R297 W298 R301 | R297-V374 HydrophobicContact CB-CB 4.49Å; R297-V374 HydrophobicContact CG-CB 3.98Å; R297-V374 HydrophobicContact CG-CG1 4.13Å; R297-V374 PolarHBondContact NE-O 3.13Å; R297-V374 PolarHBondContact NH2-O 2.86Å; W298-V374 HydrophobicContact CD2-CG1 4.19Å; W298-V374 HydrophobicContact CD2-CG2 4.46Å; W298-V374 HydrophobicContact CG-CG1 4.26Å; W298-V374 HydrophobicContact CG-CG2 4.26Å; R301-V374 HydrophobicContact CB-CG1 4.44Å | ||
| 375 | E | 83 | Confident | 84.8 | Confident | 108 Ų | 108 | 47.8 Ų | 47.8 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | trans | -74.4 | 136.5 | 177.5 | -63.2 | 175.4 | 146.3 | 0 | 0 | 110.2 | R301 F377 | R301-E375 WeakPolarHBondContact CD-O 3.48Å; R301-E375 PolarHBondContact NH1-O 3.2Å; E375-F377 HydrophobicContact CB-CD2 4.11Å; E375-F377 HydrophobicContact CB-CE1 4.42Å; E375-F377 HydrophobicContact CB-CE2 3.43Å; E375-F377 VanDerWaalsContact CB-CE2 3.43Å; E375-F377 HydrophobicContact CB-CZ 3.63Å; E375-F377 HydrophobicContact CG-CE2 4.27Å; E375-F377 HydrophobicContact CG-CZ 4.11Å; E375-F377 WeakPolarHBondContact OE2-CE2 3.28Å; E375-F377 WeakPolarHBondContact OE2-CZ 3.5Å | ||
| 376 | L | 85.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | trans | -109.4 | 97.2 | 176.5 | -63.3 | -174.1 | 0 | 0 | 0 | 109.2 | R297 R301 L304 | R297-L376 HydrophobicContact CG-CD1 4.14Å; R297-L376 HydrophobicContact CG-CD2 3.86Å; R297-L376 HydrophobicContact CG-CG 4.07Å; R297-L376 VanDerWaalsContact NH1-CD1 3.32Å; R297-L376 WeakPolarHBondContact O-CD2 3.42Å; R301-L376 HydrophobicContact CB-CD2 3.72Å; L304-L376 HydrophobicContact CD1-CB 4.11Å; L304-L376 HydrophobicContact CD1-CD2 4.37Å | ||
| 377 | F | 80.1 | Confident | 81.8 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | trans | -95.4 | 132 | 175.8 | -59 | -68.6 | 0 | 0 | 0 | 111 | E375 Y379 | E375-F377 HydrophobicContact CB-CD2 4.11Å; E375-F377 HydrophobicContact CB-CE1 4.42Å; E375-F377 HydrophobicContact CB-CE2 3.43Å; E375-F377 VanDerWaalsContact CB-CE2 3.43Å; E375-F377 HydrophobicContact CB-CZ 3.63Å; E375-F377 HydrophobicContact CG-CE2 4.27Å; E375-F377 HydrophobicContact CG-CZ 4.11Å; E375-F377 WeakPolarHBondContact OE2-CE2 3.28Å; E375-F377 WeakPolarHBondContact OE2-CZ 3.5Å; F377-Y379 HydrophobicContact CB-CD2 4.26Å; F377-Y379 HydrophobicContact CB-CE1 4.44Å; F377-Y379 HydrophobicContact CB-CE2 3.4Å; F377-Y379 VanDerWaalsContact CB-CE2 3.4Å; F377-Y379 WeakPolarHBondContact CB-OH 2.99Å; F377-Y379 HydrophobicContact CG-CE2 4.28Å; F377-Y379 WeakPolarHBondContact CG-OH 3.21Å | ||
| 378 | Y | 81.4 | Confident | 79.9 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | trans | -120.7 | 111.7 | 173.7 | 178.6 | -109.6 | 0 | 0 | 0 | 110.9 | G20 G21 L304 L310 R311 A312 G380 T381 V382 Y402 T406 | G20-Y378 WeakPolarHBondContact O-CD1 3.36Å; G20-Y378 WeakPolarHBondContact O-CE1 3.28Å; G21-Y378 WeakPolarHBondContact CA-OH 3.25Å; L304-Y378 HydrophobicContact CD2-CD2 3.7Å; L304-Y378 HydrophobicContact CD2-CE2 4.49Å; L304-Y378 HydrophobicContact CD2-CG 4.33Å; L310-Y378 PolarHBondContact O-OH 3.02Å; R311-Y378 WeakPolarHBondContact CA-OH 3.31Å; A312-Y378 HydrophobicContact CB-CD2 4.28Å; A312-Y378 HydrophobicContact CB-CE2 3.47Å; A312-Y378 VanDerWaalsContact CB-CE2 3.47Å; A312-Y378 PolarHBondContact N-OH 3.19Å; Y378-G380 WeakPolarHBondContact CE1-O 3.42Å; Y378-G380 WeakPolarHBondContact OH-CA 3.32Å; Y378-T381 PolarHBondContact OH-N 3.11Å; Y378-T381 PolarHBondContact OH-O 3.41Å; Y378-V382 HydrophobicContact CD1-CG2 4.29Å; Y378-V382 HydrophobicContact CE1-CG2 3.79Å; Y378-Y402 HydrophobicContact CD1-CD1 4.45Å; Y378-Y402 AromaticContact CD1-CE1 3.93Å; Y378-Y402 HydrophobicContact CD1-CE1 3.93Å; Y378-Y402 HydrophobicContact CG-CE1 4.41Å; Y378-T406 WeakPolarHBondContact O-CG2 3.43Å | ||
| 379 | Y | 79.6 | Confident | 77.9 | Confident | 126 Ų | 126 | 66.7 Ų | 66.7 | 49% | 0.494 | 37% | 0.367 | S | S | . | . | trans | -105.8 | 10.1 | -179.6 | -54.1 | -74.8 | 0 | 0 | 0 | 113 | F377 T406 | F377-Y379 HydrophobicContact CB-CD2 4.26Å; F377-Y379 HydrophobicContact CB-CE1 4.44Å; F377-Y379 HydrophobicContact CB-CE2 3.4Å; F377-Y379 VanDerWaalsContact CB-CE2 3.4Å; F377-Y379 WeakPolarHBondContact CB-OH 2.99Å; F377-Y379 HydrophobicContact CG-CE2 4.28Å; F377-Y379 WeakPolarHBondContact CG-OH 3.21Å; Y379-T406 HydrophobicContact CD1-CG2 4.44Å; Y379-T406 HydrophobicContact CE1-CG2 4.28Å | ||
| 380 | G | 83.1 | Confident | 76.1 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 14% | 0.144 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -79.7 | 176.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G308 L310 Y378 V382 | G308-G380 VanDerWaalsContact O-CA 3.23Å; G308-G380 WeakPolarHBondContact O-CA 2.97Å; G308-G380 PolarHBondContact O-N 2.73Å; L310-G380 WeakPolarHBondContact O-CA 3.36Å; Y378-G380 WeakPolarHBondContact CE1-O 3.42Å; Y378-G380 WeakPolarHBondContact OH-CA 3.32Å; G380-V382 PolarHBondContact O-N 3.21Å |
| 381 | T | 85.4 | Confident | 74.4 | Confident | 73 Ų | 73 | 70.1 Ų | 70.1 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 131 | 176 | -57.2 | 0 | 0 | 0 | 0 | 109.8 | R309 R311 Y378 | R309-T381 PolarHBondContact O-N 3.29Å; R309-T381 VanDerWaalsContact O-N 3.16Å; R309-T381 PolarHBondContact O-OG1 3.31Å; R311-T381 WeakPolarHBondContact CA-O 3.35Å; R311-T381 WeakPolarHBondContact CG-O 3.4Å; Y378-T381 PolarHBondContact OH-N 3.11Å; Y378-T381 PolarHBondContact OH-O 3.41Å |
| 382 | V | 84.1 | Confident | 73.1 | Confident | 49 Ų | 49 | 75.5 Ų | 75.5 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -101.1 | 137.8 | 173.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | Y378 G380 T384 L408 | Y378-V382 HydrophobicContact CD1-CG2 4.29Å; Y378-V382 HydrophobicContact CE1-CG2 3.79Å; G380-V382 PolarHBondContact O-N 3.21Å; V382-T384 PolarHBondContact O-N 2.92Å; V382-L408 HydrophobicContact CG2-CD2 4.11Å |
| 383 | E | 80.5 | Confident | 72.5 | Confident | 59 Ų | 59 | 84 Ų | 84 | 28% | 0.276 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 123.8 | 176.8 | -157.2 | -169.5 | 153.1 | 0 | 0 | 111.1 | G21 R23 | G21-E383 WeakPolarHBondContact O-CB 3.35Å; G21-E383 PolarHBondContact O-N 3.01Å; R23-E383 HydrophobicContact CG-CB 3.67Å; R23-E383 HydrophobicContact CG-CG 3.85Å; R23-E383 IonicContact CZ-OE1 3.33Å; R23-E383 VanDerWaalsContact CZ-OE1 3.29Å; R23-E383 VanDerWaalsContact NE-CG 3.33Å; R23-E383 IonicContact NE-OE1 2.85Å; R23-E383 PolarHBondContact NE-OE1 3.04Å; R23-E383 IonicContact NE-OE2 3.22Å; R23-E383 IonicContact NH2-OE1 2.9Å; R23-E383 PolarHBondContact NH2-OE1 2.81Å |
| 384 | T | 71.9 | Confident | 72.6 | Confident | 80 Ų | 80 | 80 Ų | 80 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 126.9 | -173.3 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | R23 V382 A386 | R23-T384 PolarHBondContact NE-O 3.02Å; R23-T384 VanDerWaalsContact NE-O 3.17Å; R23-T384 PolarHBondContact NH1-O 2.7Å; R23-T384 PolarHBondContact NH2-O 2.92Å; V382-T384 PolarHBondContact O-N 2.92Å; T384-A386 PolarHBondContact O-N 3.05Å |
| 385 | V | 63.7 | Low | 72.8 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 37% | 0.37 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 116.3 | 176 | -161.5 | 0 | 0 | 0 | 0 | 109.8 | N387 L390 | V385-N387 VanDerWaalsContact C-N 3.27Å; V385-N387 WeakPolarHBondContact CG1-O 3.31Å; V385-N387 PolarHBondContact O-N 3.35Å; V385-L390 HydrophobicContact CG2-CD2 4.48Å |
| 386 | A | 61.3 | Low | 73.3 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -67.3 | -27.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T384 | T384-A386 PolarHBondContact O-N 3.05Š|
| 387 | N | 57.4 | Low | 73.9 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 64% | 0.642 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -117.1 | 134.3 | 177.5 | -67.4 | -16.6 | 0 | 0 | 0 | 107.7 | V385 Q389 | V385-N387 VanDerWaalsContact C-N 3.27Å; V385-N387 WeakPolarHBondContact CG1-O 3.31Å; V385-N387 PolarHBondContact O-N 3.35Å; N387-Q389 PolarHBondContact O-N 3.07Å |
| 388 | S | 53.7 | Low | 74.6 | Confident | 136 Ų | 136 | 76.9 Ų | 76.9 | 95% | 0.951 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -58.9 | 1.6 | -178.1 | -42.8 | 0 | 0 | 0 | 0 | 115.6 | L390 | S388-L390 PolarHBondContact O-N 2.95Š|
| 389 | Q | 55.1 | Low | 75.2 | Confident | 165 Ų | 165 | 77.2 Ų | 77.2 | 77% | 0.771 | 43% | 0.433 | S | S | * | . | trans | -79.6 | 102.4 | 167.5 | -76.6 | 178.9 | -15.9 | 0 | 0 | 108.9 | N387 | N387-Q389 PolarHBondContact O-N 3.07Š| ||
| 390 | L | 56 | Low | 75.2 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 76% | 0.759 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 134.5 | 165 | -69.7 | 166.5 | 0 | 0 | 0 | 108.3 | V385 S388 | V385-L390 HydrophobicContact CG2-CD2 4.48Å; S388-L390 PolarHBondContact O-N 2.95Å |
| 391 | P | 57 | Low | 74.4 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 31% | 0.305 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 156.5 | 172 | 22.7 | -28.4 | 0 | 0 | 0 | 110.1 | R23 R393 | R23-P391 WeakPolarHBondContact O-CG 3.34Å; P391-R393 PolarHBondContact O-N 3.39Å |
| 392 | P | 62.3 | Low | 73.2 | Confident | 127 Ų | 127 | 72.6 Ų | 72.6 | 83% | 0.825 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 132.5 | 176 | 21.2 | -30.7 | 0 | 0 | 0 | 109.8 | F394 | P392-F394 PolarHBondContact O-N 3.02Š|
| 393 | R | 73.2 | Confident | 71.4 | Confident | 183 Ų | 183 | 74.9 Ų | 74.9 | 69% | 0.691 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 121.2 | -180 | -169.8 | 176.5 | -174.2 | -164.1 | -7.2 | 108.7 | P391 E401 | P391-R393 PolarHBondContact O-N 3.39Å; R393-E401 IonicContact CZ-OE1 3.76Å; R393-E401 IonicContact CZ-OE2 3.16Å; R393-E401 VanDerWaalsContact NE-CD 3.26Å; R393-E401 IonicContact NE-OE1 3.31Å; R393-E401 PolarHBondContact NE-OE1 3.29Å; R393-E401 IonicContact NE-OE2 3.39Å; R393-E401 PolarHBondContact NE-OE2 3.35Å; R393-E401 IonicContact NH2-OE1 3.89Å; R393-E401 IonicContact NH2-OE2 2.7Å; R393-E401 PolarHBondContact NH2-OE2 3.45Å |
| 394 | F | 85.7 | Confident | 69.6 | Low | 28 Ų | 28 | 77 Ų | 77 | 12% | 0.123 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 141.8 | 174.1 | 175.6 | -109.7 | 0 | 0 | 0 | 110.4 | M25 R28 P392 Y399 | M25-F394 HydrophobicContact CB-CB 3.87Å; M25-F394 HydrophobicContact CB-CD1 3.84Å; M25-F394 HydrophobicContact CB-CG 3.94Å; M25-F394 HydrophobicContact CG-CB 4.46Å; M25-F394 HydrophobicContact CG-CD1 3.47Å; M25-F394 VanDerWaalsContact CG-CD1 3.47Å; M25-F394 HydrophobicContact CG-CE1 3.83Å; M25-F394 HydrophobicContact CG-CG 4.01Å; R28-F394 VanDerWaalsContact CZ-CE2 3.41Å; P392-F394 PolarHBondContact O-N 3.02Å; F394-Y399 HydrophobicContact CB-CE1 4.49Å; F394-Y399 AromaticContact CD1-CD1 3.85Å; F394-Y399 HydrophobicContact CD1-CD1 3.85Å; F394-Y399 AromaticContact CD1-CD2 3.53Å; F394-Y399 HydrophobicContact CD1-CD2 3.53Å; F394-Y399 HydrophobicContact CD1-CE1 4.14Å; F394-Y399 AromaticContact CD1-CE2 3.83Å; F394-Y399 HydrophobicContact CD1-CE2 3.83Å; F394-Y399 AromaticContact CD1-CG 3.53Å; F394-Y399 HydrophobicContact CD1-CG 3.53Å; F394-Y399 HydrophobicContact CE1-CD1 4.45Å; F394-Y399 AromaticContact CE1-CD2 3.81Å; F394-Y399 HydrophobicContact CE1-CD2 3.81Å; F394-Y399 AromaticContact CE1-CG 3.77Å; F394-Y399 HydrophobicContact CE1-CG 3.77Å; F394-Y399 VanDerWaalsContact O-CD1 3.31Å; F394-Y399 WeakPolarHBondContact O-CD1 3.14Å; F394-Y399 WeakPolarHBondContact O-CE1 3.48Å |
| 395 | C | 88.5 | Confident | 67.8 | Low | 95 Ų | 95 | 76 Ų | 76 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | trans | -140.1 | 133.2 | 172 | -171.3 | 0 | 0 | 0 | 0 | 107.2 | T352 | T352-C395 WeakPolarHBondContact CG2-SG 3.38Š| ||
| 396 | G | 94.2 | Very high | 66.5 | Low | 7 Ų | 7 | 74.2 Ų | 74.2 | 7% | 0.072 | 43% | 0.429 | C | S | . | . | trans | -179.9 | 179.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | T352 G398 Y399 | T352-G396 VanDerWaalsContact OG1-C 3.23Å; G396-G398 PolarHBondContact O-N 3.06Å; G396-Y399 WeakPolarHBondContact O-CB 3.17Å; G396-Y399 PolarHBondContact O-N 3.39Å; G396-Y399 VanDerWaalsContact O-N 3.1Å | ||
| 397 | P | 97.1 | Very high | 65.1 | Low | 5 Ų | 5 | 76.3 Ų | 76.3 | 3% | 0.032 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 125.3 | -170.6 | -24.5 | 33.4 | 0 | 0 | 0 | 112.5 | V15 V29 I31 E348 L351 Y399 | V15-P397 HydrophobicContact CG1-CB 4.44Å; V15-P397 WeakPolarHBondContact CG1-O 3.39Å; V29-P397 HydrophobicContact CG2-CB 3.91Å; V29-P397 HydrophobicContact CG2-CG 4.18Å; I31-P397 HydrophobicContact CD1-CB 4.36Å; E348-P397 HydrophobicContact CB-CG 3.8Å; E348-P397 HydrophobicContact CG-CG 4.13Å; L351-P397 HydrophobicContact CB-CB 3.9Å; P397-Y399 PolarHBondContact O-N 2.9Å |
| 398 | G | 95.4 | Very high | 64.1 | Low | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 4.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | C17 L351 G396 T400 | C17-G398 PolarHBondContact N-O 2.83Å; L351-G398 PolarHBondContact O-N 2.76Å; G396-G398 PolarHBondContact O-N 3.06Å; G398-T400 PolarHBondContact O-N 3.46Å |
| 399 | Y | 94.3 | Very high | 63 | Low | 19 Ų | 19 | 76.2 Ų | 76.2 | 8% | 0.075 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -76.1 | 125.4 | -179.7 | -177.1 | -105.8 | 0 | 0 | 0 | 111.6 | C17 Q19 M25 F394 G396 P397 E401 | C17-Y399 HydrophobicContact CB-CD2 4.09Å; C17-Y399 WeakPolarHBondContact O-CA 3.46Å; Q19-Y399 HydrophobicContact CB-CE2 4.15Å; Q19-Y399 PolarHBondContact OE1-OH 2.76Å; M25-Y399 HydrophobicContact CB-CE2 4.26Å; M25-Y399 HydrophobicContact CG-CD2 4.26Å; M25-Y399 HydrophobicContact CG-CE2 3.96Å; M25-Y399 HydrophobicContact SD-CE2 4.38Å; F394-Y399 HydrophobicContact CB-CE1 4.49Å; F394-Y399 AromaticContact CD1-CD1 3.85Å; F394-Y399 HydrophobicContact CD1-CD1 3.85Å; F394-Y399 AromaticContact CD1-CD2 3.53Å; F394-Y399 HydrophobicContact CD1-CD2 3.53Å; F394-Y399 HydrophobicContact CD1-CE1 4.14Å; F394-Y399 AromaticContact CD1-CE2 3.83Å; F394-Y399 HydrophobicContact CD1-CE2 3.83Å; F394-Y399 AromaticContact CD1-CG 3.53Å; F394-Y399 HydrophobicContact CD1-CG 3.53Å; F394-Y399 HydrophobicContact CE1-CD1 4.45Å; F394-Y399 AromaticContact CE1-CD2 3.81Å; F394-Y399 HydrophobicContact CE1-CD2 3.81Å; F394-Y399 AromaticContact CE1-CG 3.77Å; F394-Y399 HydrophobicContact CE1-CG 3.77Å; F394-Y399 VanDerWaalsContact O-CD1 3.31Å; F394-Y399 WeakPolarHBondContact O-CD1 3.14Å; F394-Y399 WeakPolarHBondContact O-CE1 3.48Å; G396-Y399 WeakPolarHBondContact O-CB 3.17Å; G396-Y399 PolarHBondContact O-N 3.39Å; G396-Y399 VanDerWaalsContact O-N 3.1Å; P397-Y399 PolarHBondContact O-N 2.9Å; Y399-E401 HydrophobicContact CE1-CB 4.4Å |
| 400 | T | 79.1 | Confident | 61.8 | Low | 11 Ų | 11 | 71.2 Ų | 71.2 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | trans | -124.6 | 128.8 | 169.4 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | C17 R297 P355 G398 | C17-T400 PolarHBondContact O-N 2.92Å; R297-T400 PolarHBondContact NH1-OG1 3.34Å; R297-T400 PolarHBondContact NH2-OG1 3.3Å; P355-T400 HydrophobicContact CB-CG2 3.76Å; P355-T400 HydrophobicContact CG-CG2 3.6Å; G398-T400 PolarHBondContact O-N 3.46Å | ||
| 401 | E | 66.9 | Low | 60.6 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 31% | 0.308 | 40% | 0.396 | S | S | . | . | trans | -74.3 | 160.2 | 177 | -164.2 | 172.8 | -122.2 | 0 | 0 | 111.7 | R393 Y399 S403 | R393-E401 IonicContact CZ-OE1 3.76Å; R393-E401 IonicContact CZ-OE2 3.16Å; R393-E401 VanDerWaalsContact NE-CD 3.26Å; R393-E401 IonicContact NE-OE1 3.31Å; R393-E401 PolarHBondContact NE-OE1 3.29Å; R393-E401 IonicContact NE-OE2 3.39Å; R393-E401 PolarHBondContact NE-OE2 3.35Å; R393-E401 IonicContact NH2-OE1 3.89Å; R393-E401 IonicContact NH2-OE2 2.7Å; R393-E401 PolarHBondContact NH2-OE2 3.45Å; Y399-E401 HydrophobicContact CE1-CB 4.4Å; E401-S403 PolarHBondContact O-N 3.49Å | ||
| 402 | Y | 59.4 | Low | 59.3 | Low | 40 Ų | 40 | 74 Ų | 74 | 16% | 0.157 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -10.9 | -178.3 | -58.3 | -77 | 0 | 0 | 0 | 116.3 | Q19 G20 Y378 E404 T406 | Q19-Y402 VanDerWaalsContact C-OH 3.24Å; Q19-Y402 HydrophobicContact CB-CE2 4.04Å; Q19-Y402 VanDerWaalsContact CB-OH 3.31Å; Q19-Y402 WeakPolarHBondContact CB-OH 3.3Å; Q19-Y402 HydrophobicContact CG-CE2 4.35Å; Q19-Y402 WeakPolarHBondContact CG-OH 3.2Å; G20-Y402 PolarHBondContact N-OH 3.07Å; G20-Y402 WeakPolarHBondContact O-CE1 3.46Å; G20-Y402 PolarHBondContact O-OH 3.11Å; Y378-Y402 HydrophobicContact CD1-CD1 4.45Å; Y378-Y402 AromaticContact CD1-CE1 3.93Å; Y378-Y402 HydrophobicContact CD1-CE1 3.93Å; Y378-Y402 HydrophobicContact CG-CE1 4.41Å; Y402-E404 VanDerWaalsContact C-N 3.26Å; Y402-E404 PolarHBondContact O-N 2.74Å; Y402-T406 PolarHBondContact O-OG1 2.81Å |
| 403 | S | 47.3 | Very low | 57.7 | Low | 96 Ų | 96 | 72.5 Ų | 72.5 | 67% | 0.671 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.1 | -168.1 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | E401 G405 | E401-S403 PolarHBondContact O-N 3.49Å; S403-G405 VanDerWaalsContact C-N 3.35Å; S403-G405 PolarHBondContact O-N 3.19Å; S403-G405 VanDerWaalsContact O-N 3.14Å |
| 404 | E | 42.7 | Very low | 55.4 | Low | 103 Ų | 103 | 72.4 Ų | 72.4 | 48% | 0.481 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 79.3 | 166.4 | -70.9 | -176.7 | 170.7 | 0 | 0 | 109.9 | R297 Y402 T406 | R297-E404 IonicContact NH2-OE2 3.51Å; R297-E404 PolarHBondContact NH2-OE2 3.23Å; R297-E404 VanDerWaalsContact NH2-OE2 3.1Å; Y402-E404 VanDerWaalsContact C-N 3.26Å; Y402-E404 PolarHBondContact O-N 2.74Å; E404-T406 PolarHBondContact O-N 3.08Å |
| 405 | G | 33.8 | Very low | 52.7 | Low | 59 Ų | 59 | 74.8 Ų | 74.8 | 61% | 0.608 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91 | -5.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | S403 T407 | S403-G405 VanDerWaalsContact C-N 3.35Å; S403-G405 PolarHBondContact O-N 3.19Å; S403-G405 VanDerWaalsContact O-N 3.14Å; G405-T407 PolarHBondContact O-N 3.49Å |
| 406 | T | 36.4 | Very low | 50.1 | Low | 25 Ų | 25 | 76.1 Ų | 76.1 | 15% | 0.153 | 44% | 0.443 | C | S | . | . | trans | -85.9 | 106.2 | -180 | -0.3 | 0 | 0 | 0 | 0 | 112.8 | Y378 Y379 Y402 E404 L408 | Y378-T406 WeakPolarHBondContact O-CG2 3.43Å; Y379-T406 HydrophobicContact CD1-CG2 4.44Å; Y379-T406 HydrophobicContact CE1-CG2 4.28Å; Y402-T406 PolarHBondContact O-OG1 2.81Å; E404-T406 PolarHBondContact O-N 3.08Å; T406-L408 PolarHBondContact O-N 3.44Å; T406-L408 VanDerWaalsContact O-N 3.1Å | ||
| 407 | T | 32 | Very low | 47.4 | Very low | 125 Ų | 125 | 82.2 Ų | 82.2 | 77% | 0.767 | 47% | 0.474 | S | S | * | . | trans | -66.4 | 104.6 | 161.6 | -53.6 | 0 | 0 | 0 | 0 | 107.5 | G405 L409 | G405-T407 PolarHBondContact O-N 3.49Å; T407-L409 VanDerWaalsContact C-N 3.34Å; T407-L409 PolarHBondContact O-N 2.98Å | ||
| 408 | L | 36.2 | Very low | 44.1 | Very low | 120 Ų | 120 | 85.7 Ų | 85.7 | 63% | 0.628 | 51% | 0.51 | S | S | * | . | trans | -59 | 91.1 | 176.1 | -84.3 | 155.5 | 0 | 0 | 0 | 110.5 | V382 T406 C410 | V382-L408 HydrophobicContact CG2-CD2 4.11Å; T406-L408 PolarHBondContact O-N 3.44Å; T406-L408 VanDerWaalsContact O-N 3.1Å; L408-C410 PolarHBondContact O-N 2.86Å | ||
| 409 | L | 30.5 | Very low | 40.8 | Very low | 135 Ų | 135 | 90.5 Ų | 90.5 | 71% | 0.707 | 54% | 0.54 | S | S | * | . | trans | -74 | 75.9 | 163.2 | -83.5 | 161.5 | 0 | 0 | 0 | 108 | T407 L411 | T407-L409 VanDerWaalsContact C-N 3.34Å; T407-L409 PolarHBondContact O-N 2.98Å; L409-L411 PolarHBondContact O-N 2.81Å | ||
| 410 | C | 29.6 | Very low | 37.5 | Very low | 60 Ų | 60 | 96.3 Ų | 96.3 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | trans | -66.7 | 88.4 | 167.7 | -167.4 | 0 | 0 | 0 | 0 | 108.4 | L408 N412 C413 | L408-C410 PolarHBondContact O-N 2.86Å; C410-N412 PolarHBondContact O-N 3.43Å; C410-C413 PolarHBondContact O-N 3.35Å; C410-C413 VanDerWaalsContact O-N 3.17Å; C410-C413 PolarHBondContact SG-SG 3.42Å | ||
| 411 | L | 30 | Very low | 34.9 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 60% | 0.602 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -12.8 | -177.2 | -78.3 | 163.6 | 0 | 0 | 0 | 113.3 | L409 | L409-L411 PolarHBondContact O-N 2.81Š|
| 412 | N | 30.1 | Very low | 33 | Very low | 136 Ų | 136 | 105.2 Ų | 105.2 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 0.5 | 178.5 | -78.1 | -11.2 | 0 | 0 | 0 | 114.8 | C410 K414 | C410-N412 PolarHBondContact O-N 3.43Å; N412-K414 VanDerWaalsContact C-N 3.3Å; N412-K414 PolarHBondContact O-N 3.21Å |
| 413 | C | 29.5 | Very low | 31.4 | Very low | 95 Ų | 95 | 109.7 Ų | 109.7 | 64% | 0.642 | 66% | 0.664 | S | S | * | * | trans | -91.2 | 20.8 | 173.3 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | C410 S415 | C410-C413 PolarHBondContact O-N 3.35Å; C410-C413 VanDerWaalsContact O-N 3.17Å; C410-C413 PolarHBondContact SG-SG 3.42Å; C413-S415 VanDerWaalsContact C-N 3.33Å; C413-S415 PolarHBondContact O-N 3.09Å | ||
| 414 | K | 24.8 | Very low | 30.3 | Very low | 180 Ų | 180 | 112.4 Ų | 112.4 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | trans | -78.4 | 85.9 | 168.9 | -70.5 | -166 | 177.6 | -174.2 | 0 | 109.5 | N412 | N412-K414 VanDerWaalsContact C-N 3.3Å; N412-K414 PolarHBondContact O-N 3.21Å | ||
| 415 | S | 29.6 | Very low | 29.6 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | trans | -64 | 145.8 | 154 | 53.9 | 0 | 0 | 0 | 0 | 108.3 | C413 D417 G418 | C413-S415 VanDerWaalsContact C-N 3.33Å; C413-S415 PolarHBondContact O-N 3.09Å; S415-D417 PolarHBondContact O-N 2.89Å; S415-G418 PolarHBondContact O-N 2.99Å | ||
| 416 | S | 33.7 | Very low | 29.2 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 87% | 0.867 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -2.7 | -165 | 35.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 417 | D | 36.3 | Very low | 28.8 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 20.4 | -175.7 | -75.3 | -19.3 | 0 | 0 | 0 | 114.7 | S415 T419 | S415-D417 PolarHBondContact O-N 2.89Å; D417-T419 PolarHBondContact O-N 2.67Å; D417-T419 PolarHBondContact O-OG1 3.09Å |
| 418 | G | 27.6 | Very low | 28.5 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 62.7 | 10.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S415 | S415-G418 PolarHBondContact O-N 2.99Š| ||
| 419 | T | 26.5 | Very low | 28.1 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | trans | -103.8 | 116.2 | -177.9 | 34.9 | 0 | 0 | 0 | 0 | 109.5 | D417 Q421 | D417-T419 PolarHBondContact O-N 2.67Å; D417-T419 PolarHBondContact O-OG1 3.09Å; T419-Q421 PolarHBondContact O-N 3.15Å | ||
| 420 | V | 26 | Very low | 27.9 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | trans | -69.9 | 108 | 169.2 | -179.9 | 0 | 0 | 0 | 0 | 107 | A422 | V420-A422 VanDerWaalsContact C-N 3.25Å; V420-A422 PolarHBondContact O-N 3.32Å | ||
| 421 | Q | 24.1 | Very low | 28 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 88.9 | 164.9 | -81.9 | -176.4 | -35.5 | 0 | 0 | 108.1 | T419 T423 | T419-Q421 PolarHBondContact O-N 3.15Å; Q421-T423 PolarHBondContact O-N 3.23Å | ||
| 422 | A | 26.9 | Very low | 27.9 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -66.5 | 117.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | V420 D424 | V420-A422 VanDerWaalsContact C-N 3.25Å; V420-A422 PolarHBondContact O-N 3.32Å; A422-D424 PolarHBondContact O-N 3.35Å | ||
| 423 | T | 26.2 | Very low | 27.9 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 101 | 171.7 | 47.8 | 0 | 0 | 0 | 0 | 107.8 | Q421 N425 | Q421-T423 PolarHBondContact O-N 3.23Å; T423-N425 PolarHBondContact O-N 3.39Å | ||
| 424 | D | 24.2 | Very low | 28.1 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -73.7 | 88.2 | -178.9 | -152.4 | 7.5 | 0 | 0 | 0 | 108.9 | A422 G426 | A422-D424 PolarHBondContact O-N 3.35Å; D424-G426 PolarHBondContact O-N 3.25Å; D424-G426 VanDerWaalsContact O-N 3.07Å | ||
| 425 | N | 28.4 | Very low | 28.6 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -78 | 82 | 161.4 | -89.8 | -10 | 0 | 0 | 0 | 107.1 | T423 T427 | T423-N425 PolarHBondContact O-N 3.39Å; N425-T427 PolarHBondContact O-N 2.98Å | ||
| 426 | G | 23.9 | Very low | 28.8 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -61.6 | 100 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D424 | D424-G426 PolarHBondContact O-N 3.25Å; D424-G426 VanDerWaalsContact O-N 3.07Å | ||
| 427 | T | 28.2 | Very low | 28.9 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -111.8 | 105.4 | 151.1 | 43.5 | 0 | 0 | 0 | 0 | 108 | N425 G429 | N425-T427 PolarHBondContact O-N 2.98Å; T427-G429 PolarHBondContact O-N 3.33Å | ||
| 428 | N | 25.6 | Very low | 28.7 | Very low | 180 Ų | 180 | 141 Ų | 141 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | trans | -50.2 | 113.8 | 173.8 | -126.5 | -11 | 0 | 0 | 0 | 110.8 | ||||
| 429 | G | 27.5 | Very low | 29 | Very low | 64 Ų | 64 | 144.8 Ų | 144.8 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | -179.8 | 18.6 | 179 | 0 | 0 | 0 | 0 | 0 | 118.8 | T427 R431 | T427-G429 PolarHBondContact O-N 3.33Å; G429-R431 PolarHBondContact O-N 2.84Å | ||
| 430 | D | 28 | Very low | 29.5 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -93.9 | 100 | -178.2 | -74.1 | -28.3 | 0 | 0 | 0 | 112.4 | ||||
| 431 | R | 30.2 | Very low | 29.9 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -102.7 | 123.6 | 154.1 | -76.8 | -175.7 | -174.6 | 170.7 | 2.4 | 108.3 | G429 | G429-R431 PolarHBondContact O-N 2.84Š| ||
| 432 | E | 29 | Very low | 30.6 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | 45.8 | 87 | 160.3 | -73.1 | 178.3 | 140 | 0 | 0 | 117.2 | ||||
| 433 | M | 29.2 | Very low | 31.2 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | -103.2 | 138.7 | 154.3 | -83.1 | -157.5 | -141.7 | 0 | 0 | 111.9 | ||||
| 434 | D | 34.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -69.9 | 158.5 | -162.4 | -149 | -16.4 | 0 | 0 | 0 | 114.3 | S436 | D434-S436 PolarHBondContact O-N 2.86Š| ||
| 435 | K | 34.2 | Very low | 32.7 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 1.8 | -173.1 | -79.5 | 177.1 | 177.1 | 172.6 | 0 | 115.3 | V437 | K435-V437 VanDerWaalsContact C-N 3.33Å; K435-V437 PolarHBondContact O-N 2.86Å |
| 436 | S | 34.1 | Very low | 33.4 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 56% | 0.559 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -21.6 | -176.9 | 61 | 0 | 0 | 0 | 0 | 114.3 | D434 R438 | D434-S436 PolarHBondContact O-N 2.86Å; S436-R438 VanDerWaalsContact C-N 3.28Å; S436-R438 PolarHBondContact O-N 3.15Å |
| 437 | V | 35.6 | Very low | 34.3 | Very low | 92 Ų | 92 | 139.8 Ų | 139.8 | 56% | 0.558 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -74.5 | -13.9 | -175.6 | -175.1 | 0 | 0 | 0 | 0 | 113.5 | K435 | K435-V437 VanDerWaalsContact C-N 3.33Å; K435-V437 PolarHBondContact O-N 2.86Å |
| 438 | R | 32.3 | Very low | 35.1 | Very low | 220 Ų | 220 | 137 Ų | 137 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -83 | -27 | 179.8 | -80.9 | -173.7 | 178.9 | 178.3 | 0.7 | 114.1 | S436 | S436-R438 VanDerWaalsContact C-N 3.28Å; S436-R438 PolarHBondContact O-N 3.15Å |
| 439 | E | 34.5 | Very low | 36.4 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.2 | -32.8 | 178.8 | -70.9 | -176 | 165.7 | 0 | 0 | 111.7 | K441 Q442 S443 | E439-K441 VanDerWaalsContact C-N 3.28Å; E439-K441 PolarHBondContact O-N 2.96Å; E439-Q442 PolarHBondContact O-N 3.09Å; E439-Q442 VanDerWaalsContact O-N 3.15Å; E439-S443 PolarHBondContact O-N 3.39Å |
| 440 | D | 36.1 | Very low | 37.2 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67 | -25.4 | 175.5 | -82.9 | -18.5 | 0 | 0 | 0 | 113.8 | Q442 S443 G444 | D440-Q442 VanDerWaalsContact C-N 3.31Å; D440-Q442 PolarHBondContact O-N 3.22Å; D440-S443 PolarHBondContact O-OG 3.37Å; D440-G444 PolarHBondContact O-N 2.85Å |
| 441 | K | 36 | Very low | 38.1 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.7 | -30 | 174.3 | -77.3 | -169.3 | 177.1 | -176.8 | 0 | 112.9 | E439 Q445 | E439-K441 VanDerWaalsContact C-N 3.28Å; E439-K441 PolarHBondContact O-N 2.96Å; K441-Q445 WeakPolarHBondContact O-CG 3.48Å; K441-Q445 PolarHBondContact O-N 2.9Å |
| 442 | Q | 37.4 | Very low | 39.1 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.3 | -38.6 | 177 | -80.9 | -173.6 | -16.4 | 0 | 0 | 111.9 | E439 D440 G444 Q445 Q446 | E439-Q442 PolarHBondContact O-N 3.09Å; E439-Q442 VanDerWaalsContact O-N 3.15Å; D440-Q442 VanDerWaalsContact C-N 3.31Å; D440-Q442 PolarHBondContact O-N 3.22Å; Q442-G444 VanDerWaalsContact C-N 3.33Å; Q442-G444 PolarHBondContact O-N 2.9Å; Q442-Q445 PolarHBondContact O-N 2.85Å; Q442-Q446 PolarHBondContact O-N 3.04Å |
| 443 | S | 38.9 | Very low | 40.1 | Very low | 56 Ų | 56 | 120.7 Ų | 120.7 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.2 | -41.9 | 175 | 79.5 | 0 | 0 | 0 | 0 | 111.1 | E439 D440 Q445 Q446 I447 | E439-S443 PolarHBondContact O-N 3.39Å; D440-S443 PolarHBondContact O-OG 3.37Å; S443-Q445 PolarHBondContact O-N 2.97Å; S443-Q446 PolarHBondContact O-N 2.95Å; S443-I447 VanDerWaalsContact O-CG1 3.29Å; S443-I447 WeakPolarHBondContact O-CG1 3.23Å; S443-I447 PolarHBondContact O-N 3.14Å |
| 444 | G | 38.4 | Very low | 41 | Very low | 38 Ų | 38 | 116.8 Ų | 116.8 | 39% | 0.392 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.8 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D440 Q442 D448 | D440-G444 PolarHBondContact O-N 2.85Å; Q442-G444 VanDerWaalsContact C-N 3.33Å; Q442-G444 PolarHBondContact O-N 2.9Å; G444-D448 WeakPolarHBondContact O-CB 3.39Å; G444-D448 PolarHBondContact O-N 2.84Å; G444-D448 VanDerWaalsContact O-N 3.1Å |
| 445 | Q | 44.7 | Very low | 41.6 | Very low | 145 Ų | 145 | 114.6 Ų | 114.6 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.9 | -35.9 | 178 | -78.1 | -175.8 | -10 | 0 | 0 | 112.8 | K441 Q442 S443 D448 V449 | K441-Q445 WeakPolarHBondContact O-CG 3.48Å; K441-Q445 PolarHBondContact O-N 2.9Å; Q442-Q445 PolarHBondContact O-N 2.85Å; S443-Q445 PolarHBondContact O-N 2.97Å; Q445-D448 PolarHBondContact O-N 3.09Å; Q445-V449 WeakPolarHBondContact O-CG2 3.35Å; Q445-V449 PolarHBondContact O-N 3.41Å |
| 446 | Q | 42.4 | Very low | 42.2 | Very low | 154 Ų | 154 | 108.1 Ų | 108.1 | 72% | 0.72 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -74.5 | -36.5 | -178.3 | -161.8 | 161.9 | -2.8 | 0 | 0 | 111.9 | Q442 S443 V449 Y450 | Q442-Q446 PolarHBondContact O-N 3.04Å; S443-Q446 PolarHBondContact O-N 2.95Å; Q446-V449 PolarHBondContact O-N 2.85Å; Q446-Y450 PolarHBondContact O-N 3.49Å |
| 447 | I | 43.3 | Very low | 42.7 | Very low | 100 Ų | 100 | 106.8 Ų | 106.8 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 171.1 | -66.8 | 166.4 | 0 | 0 | 0 | 110.4 | S443 V449 Y450 L451 | S443-I447 VanDerWaalsContact O-CG1 3.29Å; S443-I447 WeakPolarHBondContact O-CG1 3.23Å; S443-I447 PolarHBondContact O-N 3.14Å; I447-V449 VanDerWaalsContact C-N 3.32Å; I447-V449 PolarHBondContact O-N 2.82Å; I447-Y450 PolarHBondContact O-N 3.42Å; I447-L451 HydrophobicContact CG2-CD1 3.64Å; I447-L451 HydrophobicContact CG2-CG 4.13Å; I447-L451 WeakPolarHBondContact O-CB 3.26Å; I447-L451 WeakPolarHBondContact O-CG 3.27Å; I447-L451 PolarHBondContact O-N 3.48Å |
| 448 | D | 45.7 | Very low | 43.3 | Very low | 74 Ų | 74 | 106.5 Ų | 106.5 | 40% | 0.396 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -32.3 | -178.2 | -159.5 | 47.8 | 0 | 0 | 0 | 112.9 | G444 Q445 K452 | G444-D448 WeakPolarHBondContact O-CB 3.39Å; G444-D448 PolarHBondContact O-N 2.84Å; G444-D448 VanDerWaalsContact O-N 3.1Å; Q445-D448 PolarHBondContact O-N 3.09Å; D448-K452 WeakPolarHBondContact O-CB 3.48Å; D448-K452 WeakPolarHBondContact O-CD 3.09Å; D448-K452 VanDerWaalsContact O-CG 3.26Å; D448-K452 WeakPolarHBondContact O-CG 3.26Å; D448-K452 PolarHBondContact O-N 2.88Å; D448-K452 IonicContact OD1-NZ 2.98Å; D448-K452 IonicContact OD2-NZ 2.7Å; D448-K452 PolarHBondContact OD2-NZ 3.44Å |
| 449 | V | 52.8 | Low | 44 | Very low | 80 Ų | 80 | 102 Ų | 102 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 172.8 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | Q445 Q446 I447 K452 Q453 | Q445-V449 WeakPolarHBondContact O-CG2 3.35Å; Q445-V449 PolarHBondContact O-N 3.41Å; Q446-V449 PolarHBondContact O-N 2.85Å; I447-V449 VanDerWaalsContact C-N 3.32Å; I447-V449 PolarHBondContact O-N 2.82Å; V449-K452 PolarHBondContact O-N 3.27Å; V449-Q453 WeakPolarHBondContact O-CG 3.37Å; V449-Q453 PolarHBondContact O-N 3.19Å; V449-Q453 VanDerWaalsContact O-N 3.11Å |
| 450 | Y | 43.3 | Very low | 44.7 | Very low | 117 Ų | 117 | 98.3 Ų | 98.3 | 46% | 0.459 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | -178.9 | -155.1 | -89.8 | 0 | 0 | 0 | 111.2 | Q446 I447 K452 Q453 E454 | Q446-Y450 PolarHBondContact O-N 3.49Å; I447-Y450 PolarHBondContact O-N 3.42Å; Y450-K452 PolarHBondContact O-N 3.2Å; Y450-Q453 WeakPolarHBondContact O-CB 3.45Å; Y450-Q453 PolarHBondContact O-N 2.9Å; Y450-Q453 VanDerWaalsContact O-N 3.09Å; Y450-E454 HydrophobicContact CD1-CG 4.42Å; Y450-E454 HydrophobicContact CE1-CG 4.34Å; Y450-E454 PolarHBondContact O-N 2.94Å |
| 451 | L | 47.2 | Very low | 45.2 | Very low | 71 Ų | 71 | 96.4 Ų | 96.4 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 176.3 | -69.6 | 174.1 | 0 | 0 | 0 | 112.2 | I447 Q453 E454 E455 | I447-L451 HydrophobicContact CG2-CD1 3.64Å; I447-L451 HydrophobicContact CG2-CG 4.13Å; I447-L451 WeakPolarHBondContact O-CB 3.26Å; I447-L451 WeakPolarHBondContact O-CG 3.27Å; I447-L451 PolarHBondContact O-N 3.48Å; L451-Q453 VanDerWaalsContact C-N 3.28Å; L451-Q453 PolarHBondContact O-N 3.4Å; L451-E454 PolarHBondContact O-N 3.13Å; L451-E455 WeakPolarHBondContact O-CB 3.18Å; L451-E455 WeakPolarHBondContact O-CG 3.25Å; L451-E455 PolarHBondContact O-N 3.34Å |
| 452 | K | 52.1 | Low | 45.8 | Very low | 104 Ų | 104 | 91.2 Ų | 91.2 | 45% | 0.452 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -33.3 | 173.9 | -80.6 | 170.1 | -179.5 | 147.7 | 0 | 113 | D448 V449 Y450 A456 | D448-K452 WeakPolarHBondContact O-CB 3.48Å; D448-K452 WeakPolarHBondContact O-CD 3.09Å; D448-K452 VanDerWaalsContact O-CG 3.26Å; D448-K452 WeakPolarHBondContact O-CG 3.26Å; D448-K452 PolarHBondContact O-N 2.88Å; D448-K452 IonicContact OD1-NZ 2.98Å; D448-K452 IonicContact OD2-NZ 2.7Å; D448-K452 PolarHBondContact OD2-NZ 3.44Å; V449-K452 PolarHBondContact O-N 3.27Å; Y450-K452 PolarHBondContact O-N 3.2Å; K452-A456 VanDerWaalsContact O-CB 3.32Å; K452-A456 WeakPolarHBondContact O-CB 3.22Å; K452-A456 PolarHBondContact O-N 3.42Å |
| 453 | Q | 49.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 87.1 Ų | 87.1 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.3 | -43.4 | 176.4 | -73.1 | 177.8 | -4.1 | 0 | 0 | 111.4 | V449 Y450 L451 A456 A457 | V449-Q453 WeakPolarHBondContact O-CG 3.37Å; V449-Q453 PolarHBondContact O-N 3.19Å; V449-Q453 VanDerWaalsContact O-N 3.11Å; Y450-Q453 WeakPolarHBondContact O-CB 3.45Å; Y450-Q453 PolarHBondContact O-N 2.9Å; Y450-Q453 VanDerWaalsContact O-N 3.09Å; L451-Q453 VanDerWaalsContact C-N 3.28Å; L451-Q453 PolarHBondContact O-N 3.4Å; Q453-A456 PolarHBondContact O-N 2.77Å; Q453-A457 WeakPolarHBondContact O-CB 3.39Å; Q453-A457 PolarHBondContact O-N 2.88Å |
| 454 | E | 47.1 | Very low | 46.5 | Very low | 96 Ų | 96 | 86.5 Ų | 86.5 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 172.9 | -80.4 | -160.9 | 135.1 | 0 | 0 | 112.1 | Y450 L451 A456 A457 Q458 | Y450-E454 HydrophobicContact CD1-CG 4.42Å; Y450-E454 HydrophobicContact CE1-CG 4.34Å; Y450-E454 PolarHBondContact O-N 2.94Å; L451-E454 PolarHBondContact O-N 3.13Å; E454-A456 PolarHBondContact O-N 2.63Å; E454-A457 WeakPolarHBondContact O-CB 3.28Å; E454-A457 PolarHBondContact O-N 3.29Å; E454-Q458 WeakPolarHBondContact O-CB 3.23Å; E454-Q458 WeakPolarHBondContact O-CG 3.27Å; E454-Q458 PolarHBondContact O-N 3.03Å |
| 455 | E | 48.3 | Very low | 47 | Very low | 90 Ų | 90 | 89.5 Ų | 89.5 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.4 | -79.5 | -174.6 | 162.3 | 0 | 0 | 111.7 | L451 A457 Q458 Q459 | L451-E455 WeakPolarHBondContact O-CB 3.18Å; L451-E455 WeakPolarHBondContact O-CG 3.25Å; L451-E455 PolarHBondContact O-N 3.34Å; E455-A457 VanDerWaalsContact C-N 3.29Å; E455-A457 PolarHBondContact O-N 2.77Å; E455-Q458 PolarHBondContact O-N 3.31Å; E455-Q459 VanDerWaalsContact O-CB 3.31Å; E455-Q459 WeakPolarHBondContact O-CB 3.44Å; E455-Q459 PolarHBondContact O-N 2.62Å |
| 456 | A | 46.1 | Very low | 47.2 | Very low | 55 Ų | 55 | 87.4 Ų | 87.4 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K452 Q453 E454 S460 | K452-A456 VanDerWaalsContact O-CB 3.32Å; K452-A456 WeakPolarHBondContact O-CB 3.22Å; K452-A456 PolarHBondContact O-N 3.42Å; Q453-A456 PolarHBondContact O-N 2.77Å; E454-A456 PolarHBondContact O-N 2.63Å; A456-S460 WeakPolarHBondContact O-CB 3.37Å; A456-S460 PolarHBondContact O-N 2.85Å; A456-S460 VanDerWaalsContact O-N 3.1Å; A456-S460 PolarHBondContact O-OG 2.98Å |
| 457 | A | 45.4 | Very low | 47.5 | Very low | 53 Ų | 53 | 85.4 Ų | 85.4 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.9 | -46.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q453 E454 E455 S460 L461 | Q453-A457 WeakPolarHBondContact O-CB 3.39Å; Q453-A457 PolarHBondContact O-N 2.88Å; E454-A457 WeakPolarHBondContact O-CB 3.28Å; E454-A457 PolarHBondContact O-N 3.29Å; E455-A457 VanDerWaalsContact C-N 3.29Å; E455-A457 PolarHBondContact O-N 2.77Å; A457-S460 PolarHBondContact O-N 2.96Å; A457-L461 WeakPolarHBondContact O-CG 3.37Å; A457-L461 PolarHBondContact O-N 3Å |
| 458 | Q | 47 | Very low | 47.7 | Very low | 86 Ų | 86 | 83.2 Ų | 83.2 | 40% | 0.402 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 176.7 | -77 | -174.7 | -11.6 | 0 | 0 | 112 | E454 E455 S460 L461 I462 | E454-Q458 WeakPolarHBondContact O-CB 3.23Å; E454-Q458 WeakPolarHBondContact O-CG 3.27Å; E454-Q458 PolarHBondContact O-N 3.03Å; E455-Q458 PolarHBondContact O-N 3.31Å; Q458-S460 VanDerWaalsContact C-N 3.29Å; Q458-S460 PolarHBondContact O-N 2.99Å; Q458-L461 PolarHBondContact O-N 3.16Å; Q458-I462 VanDerWaalsContact O-CG1 3.29Å; Q458-I462 WeakPolarHBondContact O-CG1 3.32Å; Q458-I462 PolarHBondContact O-N 3.18Å |
| 459 | Q | 48.9 | Very low | 47.9 | Very low | 126 Ų | 126 | 82.7 Ų | 82.7 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 177.5 | -160.7 | 72.5 | 15.8 | 0 | 0 | 111.6 | E455 I462 C463 | E455-Q459 VanDerWaalsContact O-CB 3.31Å; E455-Q459 WeakPolarHBondContact O-CB 3.44Å; E455-Q459 PolarHBondContact O-N 2.62Å; Q459-I462 PolarHBondContact O-N 3.1Å; Q459-C463 WeakPolarHBondContact O-CB 3.45Å; Q459-C463 PolarHBondContact O-N 3.42Å |
| 460 | S | 48.6 | Very low | 47.8 | Very low | 79 Ų | 79 | 81.7 Ų | 81.7 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 175.5 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | A456 A457 Q458 A464 | A456-S460 WeakPolarHBondContact O-CB 3.37Å; A456-S460 PolarHBondContact O-N 2.85Å; A456-S460 VanDerWaalsContact O-N 3.1Å; A456-S460 PolarHBondContact O-OG 2.98Å; A457-S460 PolarHBondContact O-N 2.96Å; Q458-S460 VanDerWaalsContact C-N 3.29Å; Q458-S460 PolarHBondContact O-N 2.99Å; S460-A464 WeakPolarHBondContact O-CB 3.43Å; S460-A464 PolarHBondContact O-N 3.16Å |
| 461 | L | 46.6 | Very low | 48 | Very low | 76 Ų | 76 | 80.1 Ų | 80.1 | 40% | 0.398 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 175.2 | -74.6 | 167.5 | 0 | 0 | 0 | 112.3 | A457 Q458 A464 R465 L559 | A457-L461 WeakPolarHBondContact O-CG 3.37Å; A457-L461 PolarHBondContact O-N 3Å; Q458-L461 PolarHBondContact O-N 3.16Å; L461-A464 PolarHBondContact O-N 3.16Å; L461-R465 WeakPolarHBondContact O-CB 3.23Å; L461-R465 PolarHBondContact O-N 3.02Å; L461-L559 HydrophobicContact CD2-CD1 3.77Å; L461-L559 HydrophobicContact CD2-CD2 4.21Å |
| 462 | I | 48 | Very low | 48 | Very low | 47 Ų | 47 | 80 Ų | 80 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 175.7 | -68.3 | 165.4 | 0 | 0 | 0 | 110.3 | Q458 Q459 A464 R465 D466 | Q458-I462 VanDerWaalsContact O-CG1 3.29Å; Q458-I462 WeakPolarHBondContact O-CG1 3.32Å; Q458-I462 PolarHBondContact O-N 3.18Å; Q459-I462 PolarHBondContact O-N 3.1Å; I462-A464 VanDerWaalsContact C-N 3.27Å; I462-A464 PolarHBondContact O-N 2.85Å; I462-R465 WeakPolarHBondContact O-CA 3.33Å; I462-R465 WeakPolarHBondContact O-CB 3.46Å; I462-R465 PolarHBondContact O-N 2.72Å; I462-D466 PolarHBondContact O-N 3.03Å |
| 463 | C | 46.7 | Very low | 47.9 | Very low | 59 Ų | 59 | 78.5 Ų | 78.5 | 40% | 0.399 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | Q459 K467 | Q459-C463 WeakPolarHBondContact O-CB 3.45Å; Q459-C463 PolarHBondContact O-N 3.42Å; C463-K467 WeakPolarHBondContact O-CB 3.4Å; C463-K467 VanDerWaalsContact O-CG 3.31Å; C463-K467 WeakPolarHBondContact O-CG 3.39Å; C463-K467 PolarHBondContact O-N 3.32Å; C463-K467 VanDerWaalsContact O-N 3.14Å |
| 464 | A | 45.3 | Very low | 48 | Very low | 44 Ų | 44 | 76.8 Ų | 76.8 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S460 L461 I462 K467 I468 | S460-A464 WeakPolarHBondContact O-CB 3.43Å; S460-A464 PolarHBondContact O-N 3.16Å; L461-A464 PolarHBondContact O-N 3.16Å; I462-A464 VanDerWaalsContact C-N 3.27Å; I462-A464 PolarHBondContact O-N 2.85Å; A464-K467 PolarHBondContact O-N 3.45Å; A464-I468 WeakPolarHBondContact O-CD1 3.5Å; A464-I468 VanDerWaalsContact O-CG1 3.22Å; A464-I468 WeakPolarHBondContact O-CG1 3.49Å; A464-I468 PolarHBondContact O-N 3.46Å |
| 465 | R | 47.7 | Very low | 47.9 | Very low | 101 Ų | 101 | 74.5 Ų | 74.5 | 38% | 0.381 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 178.5 | -174.8 | 177 | 174 | 137.8 | -2 | 112.6 | L461 I462 K467 I468 S469 | L461-R465 WeakPolarHBondContact O-CB 3.23Å; L461-R465 PolarHBondContact O-N 3.02Å; I462-R465 WeakPolarHBondContact O-CA 3.33Å; I462-R465 WeakPolarHBondContact O-CB 3.46Å; I462-R465 PolarHBondContact O-N 2.72Å; R465-K467 VanDerWaalsContact C-N 3.33Å; R465-K467 PolarHBondContact O-N 3.19Å; R465-I468 PolarHBondContact O-N 2.75Å; R465-S469 WeakPolarHBondContact O-CB 3.12Å; R465-S469 PolarHBondContact O-N 3.17Å |
| 466 | D | 50.2 | Low | 47.9 | Very low | 101 Ų | 101 | 74.2 Ų | 74.2 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 177.8 | -70 | -17.5 | 0 | 0 | 0 | 111.2 | I462 S469 S470 | I462-D466 PolarHBondContact O-N 3.03Å; D466-S469 PolarHBondContact O-N 3.05Å; D466-S470 WeakPolarHBondContact O-CB 3.28Å; D466-S470 PolarHBondContact O-N 3.18Å |
| 467 | K | 47.5 | Very low | 48.1 | Very low | 112 Ų | 112 | 75.7 Ų | 75.7 | 49% | 0.487 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 171.4 | -76.6 | 175.2 | -177.8 | 173.1 | 0 | 111.5 | C463 A464 R465 S469 S470 Y471 | C463-K467 WeakPolarHBondContact O-CB 3.4Å; C463-K467 VanDerWaalsContact O-CG 3.31Å; C463-K467 WeakPolarHBondContact O-CG 3.39Å; C463-K467 PolarHBondContact O-N 3.32Å; C463-K467 VanDerWaalsContact O-N 3.14Å; A464-K467 PolarHBondContact O-N 3.45Å; R465-K467 VanDerWaalsContact C-N 3.33Å; R465-K467 PolarHBondContact O-N 3.19Å; K467-S469 PolarHBondContact O-N 2.95Å; K467-S470 PolarHBondContact O-N 3.33Å; K467-Y471 HydrophobicContact CB-CE2 4.35Å; K467-Y471 WeakPolarHBondContact O-CD2 3.44Å; K467-Y471 PolarHBondContact O-N 3.48Å |
| 468 | I | 47.9 | Very low | 48.2 | Very low | 54 Ų | 54 | 76 Ų | 76 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 177.3 | -69.1 | 161.7 | 0 | 0 | 0 | 110.7 | A464 R465 Y471 D472 L534 | A464-I468 WeakPolarHBondContact O-CD1 3.5Å; A464-I468 VanDerWaalsContact O-CG1 3.22Å; A464-I468 WeakPolarHBondContact O-CG1 3.49Å; A464-I468 PolarHBondContact O-N 3.46Å; R465-I468 PolarHBondContact O-N 2.75Å; I468-Y471 PolarHBondContact O-N 3.43Å; I468-D472 WeakPolarHBondContact O-CB 3.42Å; I468-D472 PolarHBondContact O-N 2.82Å; I468-L534 HydrophobicContact CD1-CD2 3.57Å; I468-L534 HydrophobicContact CG1-CD2 4.08Å |
| 469 | S | 49.3 | Very low | 48.2 | Very low | 62 Ų | 62 | 73.2 Ų | 73.2 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 178.7 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | R465 D466 K467 Y471 D472 S473 | R465-S469 WeakPolarHBondContact O-CB 3.12Å; R465-S469 PolarHBondContact O-N 3.17Å; D466-S469 PolarHBondContact O-N 3.05Å; K467-S469 PolarHBondContact O-N 2.95Å; S469-Y471 PolarHBondContact O-N 3.49Å; S469-D472 PolarHBondContact O-N 2.79Å; S469-S473 WeakPolarHBondContact O-CB 3.26Å; S469-S473 PolarHBondContact O-N 3.48Å; S469-S473 PolarHBondContact O-OG 3.45Å |
| 470 | S | 51.5 | Low | 48.3 | Very low | 59 Ų | 59 | 71.2 Ų | 71.2 | 41% | 0.413 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 173.1 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | D466 K467 Q474 | D466-S470 WeakPolarHBondContact O-CB 3.28Å; D466-S470 PolarHBondContact O-N 3.18Å; K467-S470 PolarHBondContact O-N 3.33Å; S470-Q474 VanDerWaalsContact O-CG 3.26Å; S470-Q474 WeakPolarHBondContact O-CG 3.03Å; S470-Q474 PolarHBondContact O-N 2.9Å; S470-Q474 PolarHBondContact O-NE2 3.26Å; S470-Q474 PolarHBondContact OG-NE2 3.35Å |
| 471 | Y | 47.7 | Very low | 48.4 | Very low | 85 Ų | 85 | 71.5 Ų | 71.5 | 33% | 0.333 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 176.4 | -73.9 | -55.6 | 0 | 0 | 0 | 112.8 | K467 I468 S469 Q474 A475 I530 L533 | K467-Y471 HydrophobicContact CB-CE2 4.35Å; K467-Y471 WeakPolarHBondContact O-CD2 3.44Å; K467-Y471 PolarHBondContact O-N 3.48Å; I468-Y471 PolarHBondContact O-N 3.43Å; S469-Y471 PolarHBondContact O-N 3.49Å; Y471-Q474 PolarHBondContact O-N 3.3Å; Y471-A475 WeakPolarHBondContact O-CB 3.38Å; Y471-A475 PolarHBondContact O-N 3.13Å; Y471-I530 HydrophobicContact CD1-CD1 4.13Å; Y471-I530 HydrophobicContact CD1-CG1 4.39Å; Y471-I530 HydrophobicContact CD2-CD1 4.37Å; Y471-I530 HydrophobicContact CD2-CG1 4.06Å; Y471-I530 HydrophobicContact CE2-CG1 4.44Å; Y471-I530 HydrophobicContact CG-CD1 3.87Å; Y471-I530 HydrophobicContact CG-CG1 4.06Å; Y471-L533 HydrophobicContact CE2-CD1 4.47Å |
| 472 | D | 46.6 | Very low | 48.6 | Very low | 68 Ų | 68 | 68.7 Ų | 68.7 | 36% | 0.364 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.6 | -168.8 | 52.1 | 0 | 0 | 0 | 111.7 | I468 S469 A475 T476 | I468-D472 WeakPolarHBondContact O-CB 3.42Å; I468-D472 PolarHBondContact O-N 2.82Å; S469-D472 PolarHBondContact O-N 2.79Å; D472-A475 PolarHBondContact O-N 3.43Å; D472-T476 WeakPolarHBondContact O-CB 3.25Å; D472-T476 PolarHBondContact O-N 3.43Å; D472-T476 PolarHBondContact O-OG1 2.9Å |
| 473 | S | 50.5 | Low | 48.6 | Very low | 73 Ų | 73 | 74.2 Ų | 74.2 | 51% | 0.51 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 173.5 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | S469 T476 S477 | S469-S473 WeakPolarHBondContact O-CB 3.26Å; S469-S473 PolarHBondContact O-N 3.48Å; S469-S473 PolarHBondContact O-OG 3.45Å; S473-T476 PolarHBondContact O-N 3.1Å; S473-S477 VanDerWaalsContact O-CB 3.32Å; S473-S477 WeakPolarHBondContact O-CB 3.46Å; S473-S477 PolarHBondContact O-N 2.62Å |
| 474 | Q | 50.9 | Low | 49 | Very low | 86 Ų | 86 | 74.9 Ų | 74.9 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 174.8 | -73.6 | 173.1 | 52.3 | 0 | 0 | 111.8 | S470 Y471 W478 | S470-Q474 VanDerWaalsContact O-CG 3.26Å; S470-Q474 WeakPolarHBondContact O-CG 3.03Å; S470-Q474 PolarHBondContact O-N 2.9Å; S470-Q474 PolarHBondContact O-NE2 3.26Å; S470-Q474 PolarHBondContact OG-NE2 3.35Å; Y471-Q474 PolarHBondContact O-N 3.3Å; Q474-W478 WeakPolarHBondContact O-CB 3.36Å; Q474-W478 PolarHBondContact O-N 3.22Å |
| 475 | A | 46.1 | Very low | 49.4 | Very low | 48 Ų | 48 | 75.7 Ų | 75.7 | 40% | 0.397 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y471 D472 W478 C479 | Y471-A475 WeakPolarHBondContact O-CB 3.38Å; Y471-A475 PolarHBondContact O-N 3.13Å; D472-A475 PolarHBondContact O-N 3.43Å; A475-W478 PolarHBondContact O-N 3.04Å; A475-C479 PolarHBondContact O-N 2.58Å; A475-C479 PolarHBondContact O-SG 2.76Å; A475-C479 VanDerWaalsContact O-SG 3.39Å |
| 476 | T | 47.1 | Very low | 49.4 | Very low | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | D472 S473 W478 C479 S480 | D472-T476 WeakPolarHBondContact O-CB 3.25Å; D472-T476 PolarHBondContact O-N 3.43Å; D472-T476 PolarHBondContact O-OG1 2.9Å; S473-T476 PolarHBondContact O-N 3.1Å; T476-W478 PolarHBondContact O-N 2.9Å; T476-C479 PolarHBondContact O-N 3.06Å; T476-S480 PolarHBondContact O-N 2.97Å |
| 477 | S | 51.2 | Low | 49.6 | Very low | 85 Ų | 85 | 72 Ų | 72 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.1 | -40.6 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | S473 S480 M481 | S473-S477 VanDerWaalsContact O-CB 3.32Å; S473-S477 WeakPolarHBondContact O-CB 3.46Å; S473-S477 PolarHBondContact O-N 2.62Å; S477-S480 WeakPolarHBondContact O-CB 3.27Å; S477-S480 PolarHBondContact O-N 3.25Å; S477-M481 PolarHBondContact O-N 2.98Å |
| 478 | W | 47.9 | Very low | 50.2 | Low | 59 Ų | 59 | 70.6 Ų | 70.6 | 22% | 0.223 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 175.4 | -178.7 | 87.4 | 0 | 0 | 0 | 113.2 | Q474 A475 T476 S480 M481 H482 Y523 | Q474-W478 WeakPolarHBondContact O-CB 3.36Å; Q474-W478 PolarHBondContact O-N 3.22Å; A475-W478 PolarHBondContact O-N 3.04Å; T476-W478 PolarHBondContact O-N 2.9Å; W478-S480 PolarHBondContact O-N 3.42Å; W478-M481 PolarHBondContact O-N 3.38Å; W478-M481 VanDerWaalsContact O-N 3.1Å; W478-H482 AromaticContact CD1-CE1 3.96Å; W478-H482 AromaticContact CD1-ND1 3.96Å; W478-H482 AromaticContact CE2-CD2 3.5Å; W478-H482 VanDerWaalsContact CE2-CD2 3.5Å; W478-H482 AromaticContact CE2-CE1 3.49Å; W478-H482 VanDerWaalsContact CE2-CE1 3.49Å; W478-H482 AromaticContact CE2-CG 3.62Å; W478-H482 AromaticContact CE2-ND1 3.62Å; W478-H482 AromaticContact CE2-NE2 3.42Å; W478-H482 AromaticContact CH2-CD2 3.53Å; W478-H482 AromaticContact CZ2-CD2 3.04Å; W478-H482 WeakPolarHBondContact CZ2-CD2 2.98Å; W478-H482 AromaticContact CZ2-CE1 3.73Å; W478-H482 AromaticContact CZ2-CG 3.62Å; W478-H482 AromaticContact CZ2-NE2 3.13Å; W478-H482 WeakPolarHBondContact CZ2-NE2 3.46Å; W478-H482 AromaticContact NE1-CD2 3.94Å; W478-H482 AromaticContact NE1-CE1 3.09Å; W478-H482 PolarHBondContact NE1-CE1 2.81Å; W478-H482 AromaticContact NE1-CG 3.93Å; W478-H482 AromaticContact NE1-ND1 3.41Å; W478-H482 PolarHBondContact NE1-ND1 2.92Å; W478-H482 AromaticContact NE1-NE2 3.44Å; W478-H482 PolarHBondContact NE1-NE2 3.23Å; W478-H482 PolarHBondContact O-N 3.26Å; W478-Y523 AromaticContact CD1-CE2 3.68Å; W478-Y523 AromaticContact CD1-CZ 3.41Å; W478-Y523 VanDerWaalsContact CD1-CZ 3.41Å; W478-Y523 VanDerWaalsContact CD1-OH 3.24Å; W478-Y523 AromaticContact CE2-CD2 3.87Å; W478-Y523 AromaticContact CE2-CE2 3.67Å; W478-Y523 HydrophobicContact CG-CE1 4.47Å; W478-Y523 HydrophobicContact CG-CE2 4.49Å; W478-Y523 AromaticContact CZ2-CD2 3.95Å; W478-Y523 HydrophobicContact CZ2-CD2 3.95Å; W478-Y523 HydrophobicContact CZ2-CE2 4.13Å; W478-Y523 AromaticContact NE1-CD2 3.79Å; W478-Y523 AromaticContact NE1-CE2 3.1Å; W478-Y523 AromaticContact NE1-CZ 3.39Å |
| 479 | C | 46.2 | Very low | 50.2 | Low | 29 Ų | 29 | 69 Ų | 69 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -55.5 | -39 | 175.1 | -77.8 | 0 | 0 | 0 | 0 | 111.3 | A475 T476 R483 | A475-C479 PolarHBondContact O-N 2.58Å; A475-C479 PolarHBondContact O-SG 2.76Å; A475-C479 VanDerWaalsContact O-SG 3.39Å; T476-C479 PolarHBondContact O-N 3.06Å; C479-R483 VanDerWaalsContact O-CB 3.26Å; C479-R483 WeakPolarHBondContact O-CB 3.44Å; C479-R483 PolarHBondContact O-N 3.05Å |
| 480 | S | 50.3 | Low | 50.2 | Low | 83 Ų | 83 | 70 Ų | 70 | 58% | 0.58 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.5 | -48.7 | 174.5 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | T476 S477 W478 H482 R483 S484 | T476-S480 PolarHBondContact O-N 2.97Å; S477-S480 WeakPolarHBondContact O-CB 3.27Å; S477-S480 PolarHBondContact O-N 3.25Å; W478-S480 PolarHBondContact O-N 3.42Å; S480-H482 VanDerWaalsContact C-N 3.32Å; S480-H482 PolarHBondContact O-N 3.48Å; S480-R483 PolarHBondContact O-N 2.96Å; S480-S484 PolarHBondContact O-N 2.88Å |
| 481 | M | 51.8 | Low | 50.5 | Low | 86 Ų | 86 | 74.4 Ų | 74.4 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 177.5 | -177.4 | -104.9 | -70.6 | 0 | 0 | 112.1 | S477 W478 S484 R485 | S477-M481 PolarHBondContact O-N 2.98Å; W478-M481 PolarHBondContact O-N 3.38Å; W478-M481 VanDerWaalsContact O-N 3.1Å; M481-S484 WeakPolarHBondContact O-CB 3.28Å; M481-S484 PolarHBondContact O-N 3.49Å; M481-R485 WeakPolarHBondContact O-CG 3.33Å; M481-R485 PolarHBondContact O-N 3.05Å |
| 482 | H | 49.5 | Very low | 50.7 | Low | 16 Ų | 16 | 71.8 Ų | 71.8 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.8 | -34.2 | 178 | -86 | 38.2 | 0 | 0 | 0 | 113.5 | W478 S480 S484 R485 L486 D519 | W478-H482 AromaticContact CD1-CE1 3.96Å; W478-H482 AromaticContact CD1-ND1 3.96Å; W478-H482 AromaticContact CE2-CD2 3.5Å; W478-H482 VanDerWaalsContact CE2-CD2 3.5Å; W478-H482 AromaticContact CE2-CE1 3.49Å; W478-H482 VanDerWaalsContact CE2-CE1 3.49Å; W478-H482 AromaticContact CE2-CG 3.62Å; W478-H482 AromaticContact CE2-ND1 3.62Å; W478-H482 AromaticContact CE2-NE2 3.42Å; W478-H482 AromaticContact CH2-CD2 3.53Å; W478-H482 AromaticContact CZ2-CD2 3.04Å; W478-H482 WeakPolarHBondContact CZ2-CD2 2.98Å; W478-H482 AromaticContact CZ2-CE1 3.73Å; W478-H482 AromaticContact CZ2-CG 3.62Å; W478-H482 AromaticContact CZ2-NE2 3.13Å; W478-H482 WeakPolarHBondContact CZ2-NE2 3.46Å; W478-H482 AromaticContact NE1-CD2 3.94Å; W478-H482 AromaticContact NE1-CE1 3.09Å; W478-H482 PolarHBondContact NE1-CE1 2.81Å; W478-H482 AromaticContact NE1-CG 3.93Å; W478-H482 AromaticContact NE1-ND1 3.41Å; W478-H482 PolarHBondContact NE1-ND1 2.92Å; W478-H482 AromaticContact NE1-NE2 3.44Å; W478-H482 PolarHBondContact NE1-NE2 3.23Å; W478-H482 PolarHBondContact O-N 3.26Å; S480-H482 VanDerWaalsContact C-N 3.32Å; S480-H482 PolarHBondContact O-N 3.48Å; H482-S484 VanDerWaalsContact C-N 3.28Å; H482-S484 PolarHBondContact O-N 2.94Å; H482-R485 PolarHBondContact O-N 3.47Å; H482-L486 WeakPolarHBondContact O-CB 3.45Å; H482-L486 PolarHBondContact O-N 3.37Å; H482-D519 IonicContact CE1-OD2 3.23Å; H482-D519 PolarHBondContact CE1-OD2 3.34Å; H482-D519 VanDerWaalsContact CE1-OD2 3.22Å; H482-D519 IonicContact NE2-OD2 2.91Å; H482-D519 PolarHBondContact NE2-OD2 3.39Å |
| 483 | R | 48.4 | Very low | 50.8 | Low | 164 Ų | 164 | 74.9 Ų | 74.9 | 62% | 0.619 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.2 | -44.6 | 169.7 | -172.6 | 178.6 | -64.6 | -131.8 | -0.1 | 110.5 | C479 S480 R485 L486 D487 | C479-R483 VanDerWaalsContact O-CB 3.26Å; C479-R483 WeakPolarHBondContact O-CB 3.44Å; C479-R483 PolarHBondContact O-N 3.05Å; S480-R483 PolarHBondContact O-N 2.96Å; R483-R485 PolarHBondContact O-N 3.34Å; R483-L486 PolarHBondContact O-N 2.78Å; R483-D487 WeakPolarHBondContact O-CB 3.33Å; R483-D487 VanDerWaalsContact O-CG 3.25Å; R483-D487 PolarHBondContact O-N 3.43Å |
| 484 | S | 56.1 | Low | 50.8 | Low | 72 Ų | 72 | 77.9 Ų | 77.9 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.9 | -174.4 | 0 | 0 | 0 | 0 | 112.9 | S480 M481 H482 D487 H488 | S480-S484 PolarHBondContact O-N 2.88Å; M481-S484 WeakPolarHBondContact O-CB 3.28Å; M481-S484 PolarHBondContact O-N 3.49Å; H482-S484 VanDerWaalsContact C-N 3.28Å; H482-S484 PolarHBondContact O-N 2.94Å; S484-D487 PolarHBondContact O-N 3.39Å; S484-H488 WeakPolarHBondContact O-CB 3.32Å; S484-H488 PolarHBondContact O-N 2.86Å |
| 485 | R | 53.9 | Low | 50.8 | Low | 61 Ų | 61 | 77.8 Ų | 77.8 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 174.4 | -69.3 | -178.2 | 81.8 | 171.9 | 9.9 | 112.4 | M481 H482 R483 H488 C489 D515 D519 | M481-R485 WeakPolarHBondContact O-CG 3.33Å; M481-R485 PolarHBondContact O-N 3.05Å; H482-R485 PolarHBondContact O-N 3.47Å; R483-R485 PolarHBondContact O-N 3.34Å; R485-H488 WeakPolarHBondContact O-CB 3.44Å; R485-H488 PolarHBondContact O-N 3.29Å; R485-C489 PolarHBondContact O-N 3.32Å; R485-C489 PolarHBondContact O-SG 2.73Å; R485-C489 VanDerWaalsContact O-SG 3.38Å; R485-D515 IonicContact NH2-OD2 3.61Å; R485-D515 PolarHBondContact NH2-OD2 2.76Å; R485-D519 IonicContact NH1-OD2 3.98Å |
| 486 | L | 48 | Very low | 50.8 | Low | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.4 | -96.7 | 150.3 | 0 | 0 | 0 | 111.4 | H482 R483 H488 C489 N490 | H482-L486 WeakPolarHBondContact O-CB 3.45Å; H482-L486 PolarHBondContact O-N 3.37Å; R483-L486 PolarHBondContact O-N 2.78Å; L486-H488 VanDerWaalsContact C-N 3.29Å; L486-H488 PolarHBondContact O-N 2.85Å; L486-C489 WeakPolarHBondContact O-CB 3.31Å; L486-C489 PolarHBondContact O-N 3.01Å; L486-N490 WeakPolarHBondContact O-CB 3.48Å; L486-N490 PolarHBondContact O-N 3.37Å |
| 487 | D | 53.3 | Low | 50.7 | Low | 77 Ų | 77 | 78.2 Ų | 78.2 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.4 | -35.9 | 174.7 | -71.4 | -22.6 | 0 | 0 | 0 | 111.4 | R483 S484 R491 | R483-D487 WeakPolarHBondContact O-CB 3.33Å; R483-D487 VanDerWaalsContact O-CG 3.25Å; R483-D487 PolarHBondContact O-N 3.43Å; S484-D487 PolarHBondContact O-N 3.39Å; D487-R491 WeakPolarHBondContact O-CB 3.33Å; D487-R491 WeakPolarHBondContact O-CG 3.47Å; D487-R491 PolarHBondContact O-N 3.08Å; D487-R491 PolarHBondContact O-NE 2.83Å |
| 488 | H | 59.5 | Low | 50.5 | Low | 84 Ų | 84 | 81 Ų | 81 | 39% | 0.389 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 171.2 | -172.9 | 73.9 | 0 | 0 | 0 | 112.4 | S484 R485 L486 N490 R491 L492 | S484-H488 WeakPolarHBondContact O-CB 3.32Å; S484-H488 PolarHBondContact O-N 2.86Å; R485-H488 WeakPolarHBondContact O-CB 3.44Å; R485-H488 PolarHBondContact O-N 3.29Å; L486-H488 VanDerWaalsContact C-N 3.29Å; L486-H488 PolarHBondContact O-N 2.85Å; H488-N490 PolarHBondContact O-N 3.38Å; H488-R491 PolarHBondContact O-N 3.41Å; H488-L492 PolarHBondContact O-N 3.07Å |
| 489 | C | 49.4 | Very low | 50.4 | Low | 20 Ų | 20 | 86.4 Ų | 86.4 | 14% | 0.135 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.1 | -69.3 | 0 | 0 | 0 | 0 | 112 | R485 L486 R491 L492 F493 | R485-C489 PolarHBondContact O-N 3.32Å; R485-C489 PolarHBondContact O-SG 2.73Å; R485-C489 VanDerWaalsContact O-SG 3.38Å; L486-C489 WeakPolarHBondContact O-CB 3.31Å; L486-C489 PolarHBondContact O-N 3.01Å; C489-R491 VanDerWaalsContact C-N 3.3Å; C489-R491 PolarHBondContact O-N 3.01Å; C489-L492 PolarHBondContact O-N 2.9Å; C489-F493 WeakPolarHBondContact O-CB 3.48Å; C489-F493 PolarHBondContact O-N 2.85Å |
| 490 | N | 49.6 | Very low | 50.5 | Low | 84 Ų | 84 | 92.6 Ų | 92.6 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 177.7 | -81.1 | -23.3 | 0 | 0 | 0 | 111.6 | L486 H488 F493 N494 | L486-N490 WeakPolarHBondContact O-CB 3.48Å; L486-N490 PolarHBondContact O-N 3.37Å; H488-N490 PolarHBondContact O-N 3.38Å; N490-F493 PolarHBondContact O-N 3.01Å; N490-N494 WeakPolarHBondContact O-CB 3.47Å; N490-N494 VanDerWaalsContact O-CG 3.25Å; N490-N494 PolarHBondContact O-N 3.08Å; N490-N494 PolarHBondContact O-ND2 2.59Å |
| 491 | R | 56.5 | Low | 50.4 | Low | 150 Ų | 150 | 90.9 Ų | 90.9 | 57% | 0.566 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 172.8 | -77.5 | -179 | -68.3 | -135.3 | -2.1 | 112.1 | D487 H488 C489 F493 N494 S495 | D487-R491 WeakPolarHBondContact O-CB 3.33Å; D487-R491 WeakPolarHBondContact O-CG 3.47Å; D487-R491 PolarHBondContact O-N 3.08Å; D487-R491 PolarHBondContact O-NE 2.83Å; H488-R491 PolarHBondContact O-N 3.41Å; C489-R491 VanDerWaalsContact C-N 3.3Å; C489-R491 PolarHBondContact O-N 3.01Å; R491-F493 VanDerWaalsContact C-N 3.35Å; R491-F493 PolarHBondContact O-N 2.74Å; R491-N494 PolarHBondContact O-N 2.89Å; R491-S495 WeakPolarHBondContact O-CB 3.42Å; R491-S495 PolarHBondContact O-N 2.9Å; R491-S495 PolarHBondContact O-OG 3.5Å |
| 492 | L | 52.5 | Low | 50.5 | Low | 31 Ų | 31 | 89.8 Ų | 89.8 | 16% | 0.162 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.6 | -75.3 | 170.5 | 0 | 0 | 0 | 111.4 | H488 C489 S495 T496 L512 | H488-L492 PolarHBondContact O-N 3.07Å; C489-L492 PolarHBondContact O-N 2.9Å; L492-S495 PolarHBondContact O-N 2.92Å; L492-S495 PolarHBondContact O-OG 2.95Å; L492-T496 PolarHBondContact O-N 3.41Å; L492-T496 VanDerWaalsContact O-N 3.07Å; L492-T496 PolarHBondContact O-OG1 2.91Å; L492-L512 HydrophobicContact CD1-CD1 4.26Å |
| 493 | F | 48.5 | Very low | 50.8 | Low | 132 Ų | 132 | 95.2 Ų | 95.2 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -42.7 | 179.9 | -145.7 | -84.4 | 0 | 0 | 0 | 112.1 | C489 N490 R491 S495 T496 | C489-F493 WeakPolarHBondContact O-CB 3.48Å; C489-F493 PolarHBondContact O-N 2.85Å; N490-F493 PolarHBondContact O-N 3.01Å; R491-F493 VanDerWaalsContact C-N 3.35Å; R491-F493 PolarHBondContact O-N 2.74Å; F493-S495 VanDerWaalsContact C-N 3.3Å; F493-S495 PolarHBondContact O-N 3.35Å; F493-T496 WeakPolarHBondContact CA-OG1 3.49Å; F493-T496 PolarHBondContact O-N 3.36Å; F493-T496 PolarHBondContact O-OG1 3.22Å |
| 494 | N | 49.6 | Very low | 51.2 | Low | 137 Ų | 137 | 93.2 Ų | 93.2 | 73% | 0.733 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.5 | -26.8 | 176.6 | -71.2 | -17.8 | 0 | 0 | 0 | 112.6 | N490 R491 | N490-N494 WeakPolarHBondContact O-CB 3.47Å; N490-N494 VanDerWaalsContact O-CG 3.25Å; N490-N494 PolarHBondContact O-N 3.08Å; N490-N494 PolarHBondContact O-ND2 2.59Å; R491-N494 PolarHBondContact O-N 2.89Å |
| 495 | S | 52.6 | Low | 51 | Low | 83 Ų | 83 | 91.1 Ų | 91.1 | 58% | 0.58 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -78.8 | -20.1 | 175 | 74.1 | 0 | 0 | 0 | 0 | 113.4 | R491 L492 F493 T497 | R491-S495 WeakPolarHBondContact O-CB 3.42Å; R491-S495 PolarHBondContact O-N 2.9Å; R491-S495 PolarHBondContact O-OG 3.5Å; L492-S495 PolarHBondContact O-N 2.92Å; L492-S495 PolarHBondContact O-OG 2.95Å; F493-S495 VanDerWaalsContact C-N 3.3Å; F493-S495 PolarHBondContact O-N 3.35Å; S495-T497 PolarHBondContact O-N 3.41Å |
| 496 | T | 45.3 | Very low | 50.9 | Low | 33 Ų | 33 | 93.5 Ų | 93.5 | 20% | 0.202 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -88.6 | 85.2 | 177.2 | 24.3 | 0 | 0 | 0 | 0 | 109.8 | L492 F493 V498 | L492-T496 PolarHBondContact O-N 3.41Å; L492-T496 VanDerWaalsContact O-N 3.07Å; L492-T496 PolarHBondContact O-OG1 2.91Å; F493-T496 WeakPolarHBondContact CA-OG1 3.49Å; F493-T496 PolarHBondContact O-N 3.36Å; F493-T496 PolarHBondContact O-OG1 3.22Å; T496-V498 PolarHBondContact O-N 2.89Å |
| 497 | T | 44.8 | Very low | 51.2 | Low | 109 Ų | 109 | 94.6 Ų | 94.6 | 67% | 0.669 | 50% | 0.5 | S | S | * | . | trans | -54.4 | 126.8 | 162.9 | 44.4 | 0 | 0 | 0 | 0 | 109 | S495 E499 H500 | S495-T497 PolarHBondContact O-N 3.41Å; T497-E499 PolarHBondContact O-N 2.83Å; T497-H500 PolarHBondContact O-N 3.47Å | ||
| 498 | V | 46.1 | Very low | 51.3 | Low | 144 Ų | 144 | 95.7 Ų | 95.7 | 87% | 0.873 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -11.1 | -159.2 | 169.6 | 0 | 0 | 0 | 0 | 116.5 | T496 | T496-V498 PolarHBondContact O-N 2.89Š|
| 499 | E | 46.9 | Very low | 50.9 | Low | 172 Ų | 172 | 94 Ų | 94 | 80% | 0.804 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -9.2 | -173.5 | -66.2 | -172.9 | 160.4 | 0 | 0 | 116 | T497 | T497-E499 PolarHBondContact O-N 2.83Š|
| 500 | H | 48.6 | Very low | 51 | Low | 160 Ų | 160 | 98.3 Ų | 98.3 | 74% | 0.741 | 52% | 0.518 | S | S | * | . | trans | -133.1 | 37.5 | -174.5 | -71.6 | 74.7 | 0 | 0 | 0 | 114.2 | T497 S502 | T497-H500 PolarHBondContact O-N 3.47Å; H500-S502 PolarHBondContact O-N 2.94Å | ||
| 501 | S | 46.7 | Very low | 51.1 | Low | 46 Ų | 46 | 102.8 Ų | 102.8 | 32% | 0.322 | 53% | 0.529 | S | S | . | . | trans | -61.6 | 111.6 | 174.3 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | K506 | S501-K506 VanDerWaalsContact OG-CE 3.22Å; S501-K506 WeakPolarHBondContact OG-CE 3.4Å | ||
| 502 | S | 54.1 | Low | 50.9 | Low | 63 Ų | 63 | 97 Ų | 97 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | trans | -58.1 | 146.8 | 168.4 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | H500 D504 S505 | H500-S502 PolarHBondContact O-N 2.94Å; S502-D504 PolarHBondContact O-N 3.18Å; S502-D504 VanDerWaalsContact O-N 3.1Å; S502-S505 PolarHBondContact O-N 3.28Å; S502-S505 PolarHBondContact OG-OG 3.39Å; S502-S505 VanDerWaalsContact OG-OG 3.06Å | ||
| 503 | N | 57.4 | Low | 50.7 | Low | 130 Ų | 130 | 98.5 Ų | 98.5 | 70% | 0.695 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -52.9 | -32.6 | 177 | -107.3 | -6.5 | 0 | 0 | 0 | 112.1 | S505 K506 V507 | N503-S505 PolarHBondContact O-N 3.04Å; N503-K506 PolarHBondContact O-N 3.09Å; N503-V507 WeakPolarHBondContact O-CG2 3.38Å; N503-V507 PolarHBondContact O-N 2.8Å; N503-V507 VanDerWaalsContact O-N 3.08Å |
| 504 | D | 55.5 | Low | 50.7 | Low | 123 Ų | 123 | 96.1 Ų | 96.1 | 66% | 0.658 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 177.6 | -82.4 | -25.8 | 0 | 0 | 0 | 113.6 | S502 K506 V507 Q508 | S502-D504 PolarHBondContact O-N 3.18Å; S502-D504 VanDerWaalsContact O-N 3.1Å; D504-K506 VanDerWaalsContact C-N 3.31Å; D504-K506 PolarHBondContact O-N 3.42Å; D504-V507 PolarHBondContact O-N 2.96Å; D504-Q508 PolarHBondContact O-N 3.22Å |
| 505 | S | 52.9 | Low | 50.8 | Low | 27 Ų | 27 | 93.1 Ų | 93.1 | 19% | 0.189 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | -179.9 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | S502 N503 Q508 L509 | S502-S505 PolarHBondContact O-N 3.28Å; S502-S505 PolarHBondContact OG-OG 3.39Å; S502-S505 VanDerWaalsContact OG-OG 3.06Å; N503-S505 PolarHBondContact O-N 3.04Å; S505-Q508 PolarHBondContact O-N 3.4Å; S505-L509 WeakPolarHBondContact O-CG 3.4Å; S505-L509 PolarHBondContact O-N 2.85Å |
| 506 | K | 52.3 | Low | 50.5 | Low | 112 Ų | 112 | 92.3 Ų | 92.3 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 175.3 | -78.2 | 176 | 173.5 | 161.8 | 0 | 112.1 | S501 N503 D504 L509 N510 | S501-K506 VanDerWaalsContact OG-CE 3.22Å; S501-K506 WeakPolarHBondContact OG-CE 3.4Å; N503-K506 PolarHBondContact O-N 3.09Å; D504-K506 VanDerWaalsContact C-N 3.31Å; D504-K506 PolarHBondContact O-N 3.42Å; K506-L509 PolarHBondContact O-N 3.37Å; K506-N510 WeakPolarHBondContact O-CB 3.49Å; K506-N510 PolarHBondContact O-N 3.05Å |
| 507 | V | 54.4 | Low | 50.5 | Low | 69 Ų | 69 | 94.5 Ų | 94.5 | 42% | 0.418 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 111 | N503 D504 N510 R511 | N503-V507 WeakPolarHBondContact O-CG2 3.38Å; N503-V507 PolarHBondContact O-N 2.8Å; N503-V507 VanDerWaalsContact O-N 3.08Å; D504-V507 PolarHBondContact O-N 2.96Å; V507-N510 PolarHBondContact O-N 3.43Å; V507-R511 PolarHBondContact O-N 2.98Å |
| 508 | Q | 54 | Low | 50.6 | Low | 100 Ų | 100 | 93.3 Ų | 93.3 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 175 | -80.5 | -172.9 | -21.1 | 0 | 0 | 112.2 | D504 S505 N510 R511 L512 | D504-Q508 PolarHBondContact O-N 3.22Å; S505-Q508 PolarHBondContact O-N 3.4Å; Q508-N510 VanDerWaalsContact C-N 3.35Å; Q508-N510 PolarHBondContact O-N 2.96Å; Q508-R511 PolarHBondContact O-N 3.02Å; Q508-L512 WeakPolarHBondContact O-CB 3.04Å; Q508-L512 WeakPolarHBondContact O-CD1 3.49Å; Q508-L512 WeakPolarHBondContact O-CG 3.34Å; Q508-L512 PolarHBondContact O-N 3.35Å |
| 509 | L | 51 | Low | 50.6 | Low | 49 Ų | 49 | 87.9 Ų | 87.9 | 26% | 0.257 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.5 | -78.8 | 165.6 | 0 | 0 | 0 | 112.4 | S505 K506 L512 S513 | S505-L509 WeakPolarHBondContact O-CG 3.4Å; S505-L509 PolarHBondContact O-N 2.85Å; K506-L509 PolarHBondContact O-N 3.37Å; L509-L512 PolarHBondContact O-N 3.47Å; L509-S513 WeakPolarHBondContact O-CB 3.46Å; L509-S513 PolarHBondContact O-N 3.14Å |
| 510 | N | 50.9 | Low | 50.2 | Low | 111 Ų | 111 | 86.4 Ų | 86.4 | 59% | 0.594 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 176.4 | -87.1 | -16.9 | 0 | 0 | 0 | 112.6 | K506 V507 Q508 S513 V514 | K506-N510 WeakPolarHBondContact O-CB 3.49Å; K506-N510 PolarHBondContact O-N 3.05Å; V507-N510 PolarHBondContact O-N 3.43Å; Q508-N510 VanDerWaalsContact C-N 3.35Å; Q508-N510 PolarHBondContact O-N 2.96Å; N510-S513 WeakPolarHBondContact O-CB 3.44Å; N510-S513 PolarHBondContact O-N 2.84Å; N510-V514 WeakPolarHBondContact O-CG2 3.13Å; N510-V514 PolarHBondContact O-N 3.44Å; N510-V514 VanDerWaalsContact O-N 3.15Å |
| 511 | R | 53.6 | Low | 50 | Low | 178 Ų | 178 | 85.3 Ų | 85.3 | 67% | 0.672 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 174.9 | -77.2 | -176.4 | 178 | 166 | 1 | 111.8 | V507 Q508 S513 V514 D515 | V507-R511 PolarHBondContact O-N 2.98Å; Q508-R511 PolarHBondContact O-N 3.02Å; R511-S513 VanDerWaalsContact C-N 3.32Å; R511-S513 PolarHBondContact O-N 3.12Å; R511-V514 PolarHBondContact O-N 3.31Å; R511-D515 PolarHBondContact O-N 2.79Å |
| 512 | L | 50.5 | Low | 49.9 | Very low | 27 Ų | 27 | 87.5 Ų | 87.5 | 14% | 0.141 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 177.4 | -75.3 | 160.1 | 0 | 0 | 0 | 112 | L492 Q508 L509 M516 | L492-L512 HydrophobicContact CD1-CD1 4.26Å; Q508-L512 WeakPolarHBondContact O-CB 3.04Å; Q508-L512 WeakPolarHBondContact O-CD1 3.49Å; Q508-L512 WeakPolarHBondContact O-CG 3.34Å; Q508-L512 PolarHBondContact O-N 3.35Å; L509-L512 PolarHBondContact O-N 3.47Å; L512-M516 VanDerWaalsContact O-CG 3.25Å; L512-M516 WeakPolarHBondContact O-CG 3.22Å; L512-M516 PolarHBondContact O-N 3.38Å; L512-M516 VanDerWaalsContact O-N 3.09Å |
| 513 | S | 49 | Very low | 49.4 | Very low | 63 Ų | 63 | 87.8 Ų | 87.8 | 44% | 0.441 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 174.2 | 142.7 | 0 | 0 | 0 | 0 | 112.6 | L509 N510 R511 M516 V517 | L509-S513 WeakPolarHBondContact O-CB 3.46Å; L509-S513 PolarHBondContact O-N 3.14Å; N510-S513 WeakPolarHBondContact O-CB 3.44Å; N510-S513 PolarHBondContact O-N 2.84Å; R511-S513 VanDerWaalsContact C-N 3.32Å; R511-S513 PolarHBondContact O-N 3.12Å; S513-M516 PolarHBondContact O-N 3.19Å; S513-V517 WeakPolarHBondContact O-CG2 3.33Å; S513-V517 PolarHBondContact O-N 3.26Å |
| 514 | V | 49.7 | Very low | 48.6 | Very low | 82 Ų | 82 | 84.6 Ų | 84.6 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | -179 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | N510 R511 M516 V517 N518 | N510-V514 WeakPolarHBondContact O-CG2 3.13Å; N510-V514 PolarHBondContact O-N 3.44Å; N510-V514 VanDerWaalsContact O-N 3.15Å; R511-V514 PolarHBondContact O-N 3.31Å; V514-M516 VanDerWaalsContact C-N 3.33Å; V514-M516 PolarHBondContact O-N 3.07Å; V514-V517 PolarHBondContact O-N 3.47Å; V514-N518 PolarHBondContact O-N 3.05Å; V514-N518 VanDerWaalsContact O-N 3.07Å |
| 515 | D | 50.2 | Low | 48.1 | Very low | 74 Ų | 74 | 87.9 Ų | 87.9 | 40% | 0.396 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.4 | -74.2 | -9 | 0 | 0 | 0 | 111.4 | R485 R511 V517 N518 D519 | R485-D515 IonicContact NH2-OD2 3.61Å; R485-D515 PolarHBondContact NH2-OD2 2.76Å; R511-D515 PolarHBondContact O-N 2.79Å; D515-V517 VanDerWaalsContact C-N 3.3Å; D515-V517 PolarHBondContact O-N 2.73Å; D515-N518 PolarHBondContact O-N 3.17Å; D515-D519 WeakPolarHBondContact O-CB 3.43Å; D515-D519 PolarHBondContact O-N 3.31Å |
| 516 | M | 46.9 | Very low | 47.6 | Very low | 67 Ų | 67 | 92.2 Ų | 92.2 | 33% | 0.33 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 177.9 | -72.5 | 178.1 | 74.4 | 0 | 0 | 112.6 | L512 S513 V514 K520 | L512-M516 VanDerWaalsContact O-CG 3.25Å; L512-M516 WeakPolarHBondContact O-CG 3.22Å; L512-M516 PolarHBondContact O-N 3.38Å; L512-M516 VanDerWaalsContact O-N 3.09Å; S513-M516 PolarHBondContact O-N 3.19Å; V514-M516 VanDerWaalsContact C-N 3.33Å; V514-M516 PolarHBondContact O-N 3.07Å; M516-K520 WeakPolarHBondContact O-CB 3Å; M516-K520 PolarHBondContact O-N 3.44Å; M516-K520 VanDerWaalsContact O-N 3.09Å |
| 517 | V | 44.6 | Very low | 47 | Very low | 78 Ų | 78 | 89.4 Ų | 89.4 | 47% | 0.473 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.7 | -41 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | S513 V514 D515 K520 K521 | S513-V517 WeakPolarHBondContact O-CG2 3.33Å; S513-V517 PolarHBondContact O-N 3.26Å; V514-V517 PolarHBondContact O-N 3.47Å; D515-V517 VanDerWaalsContact C-N 3.3Å; D515-V517 PolarHBondContact O-N 2.73Å; V517-K520 WeakPolarHBondContact O-CB 3.49Å; V517-K520 PolarHBondContact O-N 2.99Å; V517-K521 PolarHBondContact O-N 3.48Å |
| 518 | N | 48.2 | Very low | 46.5 | Very low | 84 Ų | 84 | 91.3 Ų | 91.3 | 45% | 0.449 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 178.3 | -77.4 | -25.3 | 0 | 0 | 0 | 111.7 | V514 D515 K520 K521 I522 | V514-N518 PolarHBondContact O-N 3.05Å; V514-N518 VanDerWaalsContact O-N 3.07Å; D515-N518 PolarHBondContact O-N 3.17Å; N518-K520 VanDerWaalsContact C-N 3.35Å; N518-K520 PolarHBondContact O-N 3.27Å; N518-K521 PolarHBondContact O-N 2.85Å; N518-I522 PolarHBondContact O-N 3.48Å |
| 519 | D | 46.1 | Very low | 46 | Very low | 31 Ų | 31 | 88.8 Ų | 88.8 | 17% | 0.166 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -55.8 | -51.1 | 171.6 | -83.1 | -28.5 | 0 | 0 | 0 | 109.8 | H482 R485 D515 K521 I522 Y523 | H482-D519 IonicContact CE1-OD2 3.23Å; H482-D519 PolarHBondContact CE1-OD2 3.34Å; H482-D519 VanDerWaalsContact CE1-OD2 3.22Å; H482-D519 IonicContact NE2-OD2 2.91Å; H482-D519 PolarHBondContact NE2-OD2 3.39Å; R485-D519 IonicContact NH1-OD2 3.98Å; D515-D519 WeakPolarHBondContact O-CB 3.43Å; D515-D519 PolarHBondContact O-N 3.31Å; D519-K521 VanDerWaalsContact C-N 3.27Å; D519-K521 PolarHBondContact O-N 3.4Å; D519-K521 VanDerWaalsContact O-N 3.13Å; D519-I522 PolarHBondContact O-N 2.9Å; D519-I522 VanDerWaalsContact O-N 3.08Å; D519-Y523 HydrophobicContact CB-CD2 4.17Å; D519-Y523 HydrophobicContact CB-CE2 3.89Å; D519-Y523 WeakPolarHBondContact O-CD2 2.9Å; D519-Y523 PolarHBondContact O-N 3.5Å |
| 520 | K | 37.7 | Very low | 45.6 | Very low | 141 Ų | 141 | 88.8 Ų | 88.8 | 61% | 0.613 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -52.3 | -40.1 | 178.3 | -172.2 | 177.1 | -179.4 | 175.6 | 0 | 113.8 | M516 V517 N518 S524 | M516-K520 WeakPolarHBondContact O-CB 3Å; M516-K520 PolarHBondContact O-N 3.44Å; M516-K520 VanDerWaalsContact O-N 3.09Å; V517-K520 WeakPolarHBondContact O-CB 3.49Å; V517-K520 PolarHBondContact O-N 2.99Å; N518-K520 VanDerWaalsContact C-N 3.35Å; N518-K520 PolarHBondContact O-N 3.27Å; K520-S524 PolarHBondContact O-N 3.32Å |
| 521 | K | 44.4 | Very low | 45.1 | Very low | 136 Ų | 136 | 86.8 Ų | 86.8 | 59% | 0.591 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.8 | -42 | 178.7 | -79.4 | -177.6 | 178.7 | 175 | 0 | 112.9 | V517 N518 D519 Y523 | V517-K521 PolarHBondContact O-N 3.48Å; N518-K521 PolarHBondContact O-N 2.85Å; D519-K521 VanDerWaalsContact C-N 3.27Å; D519-K521 PolarHBondContact O-N 3.4Å; D519-K521 VanDerWaalsContact O-N 3.13Å; K521-Y523 VanDerWaalsContact C-N 3.3Å |
| 522 | I | 45.6 | Very low | 44.5 | Very low | 93 Ų | 93 | 80.8 Ų | 80.8 | 48% | 0.477 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 178.1 | -66.9 | 170.9 | 0 | 0 | 0 | 109.9 | N518 D519 R525 R526 | N518-I522 PolarHBondContact O-N 3.48Å; D519-I522 PolarHBondContact O-N 2.9Å; D519-I522 VanDerWaalsContact O-N 3.08Å; I522-R525 PolarHBondContact O-N 3.42Å; I522-R526 PolarHBondContact O-N 2.96Å |
| 523 | Y | 42.4 | Very low | 43.9 | Very low | 68 Ų | 68 | 84.5 Ų | 84.5 | 27% | 0.267 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -79.1 | -32.4 | -177.3 | -64.9 | -69.3 | 0 | 0 | 0 | 114.4 | W478 D519 K521 R525 R526 A527 | W478-Y523 AromaticContact CD1-CE2 3.68Å; W478-Y523 AromaticContact CD1-CZ 3.41Å; W478-Y523 VanDerWaalsContact CD1-CZ 3.41Å; W478-Y523 VanDerWaalsContact CD1-OH 3.24Å; W478-Y523 AromaticContact CE2-CD2 3.87Å; W478-Y523 AromaticContact CE2-CE2 3.67Å; W478-Y523 HydrophobicContact CG-CE1 4.47Å; W478-Y523 HydrophobicContact CG-CE2 4.49Å; W478-Y523 AromaticContact CZ2-CD2 3.95Å; W478-Y523 HydrophobicContact CZ2-CD2 3.95Å; W478-Y523 HydrophobicContact CZ2-CE2 4.13Å; W478-Y523 AromaticContact NE1-CD2 3.79Å; W478-Y523 AromaticContact NE1-CE2 3.1Å; W478-Y523 AromaticContact NE1-CZ 3.39Å; D519-Y523 HydrophobicContact CB-CD2 4.17Å; D519-Y523 HydrophobicContact CB-CE2 3.89Å; D519-Y523 WeakPolarHBondContact O-CD2 2.9Å; D519-Y523 PolarHBondContact O-N 3.5Å; K521-Y523 VanDerWaalsContact C-N 3.3Å; Y523-R525 PolarHBondContact O-N 2.82Å; Y523-R526 PolarHBondContact O-N 3.49Å; Y523-A527 PolarHBondContact O-N 3.28Å |
| 524 | S | 41.9 | Very low | 43.3 | Very low | 63 Ų | 63 | 84.3 Ų | 84.3 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -53.6 | -43.3 | 170 | -166.3 | 0 | 0 | 0 | 0 | 110.8 | K520 R526 A527 E528 | K520-S524 PolarHBondContact O-N 3.32Å; S524-R526 PolarHBondContact O-N 3.44Å; S524-A527 PolarHBondContact O-N 2.8Å; S524-E528 WeakPolarHBondContact O-CB 3.23Å; S524-E528 VanDerWaalsContact O-CG 3.25Å; S524-E528 WeakPolarHBondContact O-CG 3.43Å; S524-E528 PolarHBondContact O-N 3.09Å; S524-E528 PolarHBondContact OG-OE1 2.99Å |
| 525 | R | 43.8 | Very low | 42.7 | Very low | 192 Ų | 192 | 85.2 Ų | 85.2 | 73% | 0.725 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.2 | -35.7 | 176.5 | -65.1 | -175.3 | -173.7 | -170.9 | 1.9 | 112.8 | I522 Y523 A529 | I522-R525 PolarHBondContact O-N 3.42Å; Y523-R525 PolarHBondContact O-N 2.82Å; R525-A529 WeakPolarHBondContact O-CB 3.16Å; R525-A529 PolarHBondContact O-N 3.42Å |
| 526 | R | 43.5 | Very low | 41.9 | Very low | 118 Ų | 118 | 85.9 Ų | 85.9 | 45% | 0.445 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.2 | -42.7 | 176.6 | -79.6 | -177.8 | 156.6 | 174.4 | -8.6 | 112.3 | I522 Y523 S524 A529 I530 | I522-R526 PolarHBondContact O-N 2.96Å; Y523-R526 PolarHBondContact O-N 3.49Å; S524-R526 PolarHBondContact O-N 3.44Å; R526-A529 WeakPolarHBondContact O-CB 3.38Å; R526-A529 PolarHBondContact O-N 3.19Å; R526-I530 WeakPolarHBondContact O-CG1 3.26Å; R526-I530 PolarHBondContact O-N 2.85Å |
| 527 | A | 39.9 | Very low | 41.3 | Very low | 54 Ų | 54 | 85 Ų | 85 | 45% | 0.446 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y523 S524 A529 I530 V531 | Y523-A527 PolarHBondContact O-N 3.28Å; S524-A527 PolarHBondContact O-N 2.8Å; A527-A529 VanDerWaalsContact C-N 3.31Å; A527-A529 PolarHBondContact O-N 3.44Å; A527-I530 PolarHBondContact O-N 3.21Å; A527-V531 WeakPolarHBondContact O-CG2 3.46Å; A527-V531 PolarHBondContact O-N 3.07Å |
| 528 | E | 43.7 | Very low | 40.6 | Very low | 109 Ų | 109 | 90.3 Ų | 90.3 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 171.8 | -76.3 | 165.3 | -158.1 | 0 | 0 | 112 | S524 V531 A532 | S524-E528 WeakPolarHBondContact O-CB 3.23Å; S524-E528 VanDerWaalsContact O-CG 3.25Å; S524-E528 WeakPolarHBondContact O-CG 3.43Å; S524-E528 PolarHBondContact O-N 3.09Å; S524-E528 PolarHBondContact OG-OE1 2.99Å; E528-V531 PolarHBondContact O-N 3.29Å; E528-A532 VanDerWaalsContact O-CB 3.28Å; E528-A532 WeakPolarHBondContact O-CB 3.05Å; E528-A532 PolarHBondContact O-N 3.49Å |
| 529 | A | 43.6 | Very low | 39.7 | Very low | 47 Ų | 47 | 96.1 Ų | 96.1 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R525 R526 A527 A532 L533 | R525-A529 WeakPolarHBondContact O-CB 3.16Å; R525-A529 PolarHBondContact O-N 3.42Å; R526-A529 WeakPolarHBondContact O-CB 3.38Å; R526-A529 PolarHBondContact O-N 3.19Å; A527-A529 VanDerWaalsContact C-N 3.31Å; A527-A529 PolarHBondContact O-N 3.44Å; A529-A532 PolarHBondContact O-N 2.52Å; A529-L533 WeakPolarHBondContact O-CG 3.29Å; A529-L533 PolarHBondContact O-N 3.02Å |
| 530 | I | 41 | Very low | 38.9 | Very low | 48 Ų | 48 | 98.9 Ų | 98.9 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 175 | -67.5 | 166 | 0 | 0 | 0 | 110.1 | Y471 R526 A527 A532 L533 L534 | Y471-I530 HydrophobicContact CD1-CD1 4.13Å; Y471-I530 HydrophobicContact CD1-CG1 4.39Å; Y471-I530 HydrophobicContact CD2-CD1 4.37Å; Y471-I530 HydrophobicContact CD2-CG1 4.06Å; Y471-I530 HydrophobicContact CE2-CG1 4.44Å; Y471-I530 HydrophobicContact CG-CD1 3.87Å; Y471-I530 HydrophobicContact CG-CG1 4.06Å; R526-I530 WeakPolarHBondContact O-CG1 3.26Å; R526-I530 PolarHBondContact O-N 2.85Å; A527-I530 PolarHBondContact O-N 3.21Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 3.46Å; I530-L533 WeakPolarHBondContact O-CB 3.47Å; I530-L533 PolarHBondContact O-N 2.96Å; I530-L534 HydrophobicContact CG2-CD1 3.87Å; I530-L534 HydrophobicContact CG2-CG 4.36Å; I530-L534 VanDerWaalsContact O-CG 3.29Å; I530-L534 WeakPolarHBondContact O-CG 3.38Å; I530-L534 PolarHBondContact O-N 3.1Å |
| 531 | V | 40.1 | Very low | 38.3 | Very low | 70 Ų | 70 | 95.8 Ų | 95.8 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.7 | 173 | 0 | 0 | 0 | 0 | 110.9 | A527 E528 L533 L534 V535 | A527-V531 WeakPolarHBondContact O-CG2 3.46Å; A527-V531 PolarHBondContact O-N 3.07Å; E528-V531 PolarHBondContact O-N 3.29Å; V531-L533 VanDerWaalsContact C-N 3.31Å; V531-L533 PolarHBondContact O-N 3.38Å; V531-L534 PolarHBondContact O-N 2.83Å; V531-V535 HydrophobicContact CG1-CG2 4.05Å; V531-V535 WeakPolarHBondContact O-CB 3.47Å; V531-V535 VanDerWaalsContact O-CG2 3.24Å; V531-V535 WeakPolarHBondContact O-CG2 3.36Å; V531-V535 PolarHBondContact O-N 3.26Å |
| 532 | A | 41.9 | Very low | 37.6 | Very low | 52 Ų | 52 | 94.6 Ų | 94.6 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E528 A529 I530 S536 | E528-A532 VanDerWaalsContact O-CB 3.28Å; E528-A532 WeakPolarHBondContact O-CB 3.05Å; E528-A532 PolarHBondContact O-N 3.49Å; A529-A532 PolarHBondContact O-N 2.52Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 3.46Å; A532-S536 WeakPolarHBondContact O-CB 3.44Å; A532-S536 PolarHBondContact O-N 3.09Å; A532-S536 VanDerWaalsContact O-N 3.16Å; A532-S536 PolarHBondContact O-OG 2.87Å |
| 533 | L | 38 | Very low | 36.9 | Very low | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 174.8 | -80.6 | 162 | 0 | 0 | 0 | 112.1 | Y471 A529 I530 V531 | Y471-L533 HydrophobicContact CE2-CD1 4.47Å; A529-L533 WeakPolarHBondContact O-CG 3.29Å; A529-L533 PolarHBondContact O-N 3.02Å; I530-L533 WeakPolarHBondContact O-CB 3.47Å; I530-L533 PolarHBondContact O-N 2.96Å; V531-L533 VanDerWaalsContact C-N 3.31Å; V531-L533 PolarHBondContact O-N 3.38Å |
| 534 | L | 36.3 | Very low | 36.1 | Very low | 59 Ų | 59 | 94.8 Ų | 94.8 | 31% | 0.309 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69 | -32.7 | 179.4 | -67.2 | 172.9 | 0 | 0 | 0 | 112.6 | I468 I530 V531 T563 | I468-L534 HydrophobicContact CD1-CD2 3.57Å; I468-L534 HydrophobicContact CG1-CD2 4.08Å; I530-L534 HydrophobicContact CG2-CD1 3.87Å; I530-L534 HydrophobicContact CG2-CG 4.36Å; I530-L534 VanDerWaalsContact O-CG 3.29Å; I530-L534 WeakPolarHBondContact O-CG 3.38Å; I530-L534 PolarHBondContact O-N 3.1Å; V531-L534 PolarHBondContact O-N 2.83Å; L534-T563 HydrophobicContact CD2-CG2 3.95Å |
| 535 | V | 36.9 | Very low | 35.4 | Very low | 101 Ų | 101 | 99.3 Ų | 99.3 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -94.2 | -0.7 | -176.7 | -178.6 | 0 | 0 | 0 | 0 | 112.7 | V531 P537 | V531-V535 HydrophobicContact CG1-CG2 4.05Å; V531-V535 WeakPolarHBondContact O-CB 3.47Å; V531-V535 VanDerWaalsContact O-CG2 3.24Å; V531-V535 WeakPolarHBondContact O-CG2 3.36Å; V531-V535 PolarHBondContact O-N 3.26Å; V535-P537 WeakPolarHBondContact O-CD 3.32Å |
| 536 | S | 34.4 | Very low | 34.8 | Very low | 89 Ų | 89 | 101.9 Ų | 101.9 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 63.1 | 177.6 | -68 | 0 | 0 | 0 | 0 | 115.3 | A532 | A532-S536 WeakPolarHBondContact O-CB 3.44Å; A532-S536 PolarHBondContact O-N 3.09Å; A532-S536 VanDerWaalsContact O-N 3.16Å; A532-S536 PolarHBondContact O-OG 2.87Å |
| 537 | P | 33.4 | Very low | 34.5 | Very low | 47 Ų | 47 | 100.2 Ų | 100.2 | 31% | 0.305 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.8 | -19.5 | 150.7 | -14.9 | 30.3 | 0 | 0 | 0 | 113.1 | V535 K539 L541 L556 | V535-P537 WeakPolarHBondContact O-CD 3.32Å; P537-K539 PolarHBondContact O-N 3.25Å; P537-L541 HydrophobicContact CB-CD1 4.23Å; P537-L541 WeakPolarHBondContact O-CD1 3.25Å; P537-L556 HydrophobicContact CB-CD2 4.13Å; P537-L556 HydrophobicContact CG-CD2 3.92Å |
| 538 | K | 29.6 | Very low | 34 | Very low | 191 Ų | 191 | 101.8 Ų | 101.8 | 83% | 0.83 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -19.7 | -163.8 | -84 | -169.1 | 174.7 | -178 | 0 | 116.9 | ||
| 539 | K | 29.9 | Very low | 33.7 | Very low | 205 Ų | 205 | 99.9 Ų | 99.9 | 89% | 0.891 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -18.2 | -175.6 | -86.3 | -171.5 | 176.8 | -178.8 | 0 | 115.5 | P537 | P537-K539 PolarHBondContact O-N 3.25Š|
| 540 | S | 28.5 | Very low | 33.2 | Very low | 89 Ų | 89 | 103.7 Ų | 103.7 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -14.3 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | S543 | S540-S543 PolarHBondContact O-OG 3.44Š|
| 541 | L | 26.6 | Very low | 32.9 | Very low | 77 Ų | 77 | 107.4 Ų | 107.4 | 40% | 0.403 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -92 | -1.3 | -170.3 | -82.6 | 161.4 | 0 | 0 | 0 | 115.7 | P537 S543 C544 | P537-L541 HydrophobicContact CB-CD1 4.23Å; P537-L541 WeakPolarHBondContact O-CD1 3.25Å; L541-S543 PolarHBondContact O-N 3.4Å; L541-C544 HydrophobicContact CD2-CB 3.69Å; L541-C544 PolarHBondContact O-N 2.84Å |
| 542 | S | 29.7 | Very low | 32.5 | Very low | 110 Ų | 110 | 107 Ų | 107 | 77% | 0.769 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -64.8 | -8.6 | 173.3 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 543 | S | 29.6 | Very low | 32.1 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -94 | -11.8 | 170.4 | 60.3 | 0 | 0 | 0 | 0 | 115.1 | S540 L541 | S540-S543 PolarHBondContact O-OG 3.44Å; L541-S543 PolarHBondContact O-N 3.4Å |
| 544 | C | 26.4 | Very low | 32 | Very low | 68 Ų | 68 | 112.1 Ų | 112.1 | 46% | 0.459 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.9 | -0.6 | -173.9 | -77.1 | 0 | 0 | 0 | 0 | 115.2 | L541 R546 | L541-C544 HydrophobicContact CD2-CB 3.69Å; L541-C544 PolarHBondContact O-N 2.84Å; C544-R546 PolarHBondContact O-N 2.99Å |
| 545 | N | 27.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 114 Ų | 114 | 84% | 0.84 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 21.7 | 177.8 | -99 | -0.7 | 0 | 0 | 0 | 115.3 | ||
| 546 | R | 30.9 | Very low | 31.6 | Very low | 246 Ų | 246 | 112.7 Ų | 112.7 | 93% | 0.928 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -7.4 | 174.5 | -72.3 | -164 | -166.8 | -163.9 | 5.2 | 115.4 | C544 | C544-R546 PolarHBondContact O-N 2.99Š|
| 547 | S | 35.9 | Very low | 31.6 | Very low | 83 Ų | 83 | 114.8 Ų | 114.8 | 58% | 0.58 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -114.7 | 113.6 | 171 | 49 | 0 | 0 | 0 | 0 | 108.3 | D549 | S547-D549 PolarHBondContact O-N 3.33Š|
| 548 | G | 31 | Very low | 31.7 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 90% | 0.897 | 63% | 0.625 | S | S | * | * | trans | -69.7 | 57.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L550 | G548-L550 PolarHBondContact O-N 3.44Š| ||
| 549 | D | 37.6 | Very low | 31.8 | Very low | 69 Ų | 69 | 109.7 Ų | 109.7 | 37% | 0.369 | 60% | 0.602 | S | S | . | * | trans | -90.6 | 101.5 | -169.8 | -159 | 6.5 | 0 | 0 | 0 | 110.2 | S547 E551 S552 | S547-D549 PolarHBondContact O-N 3.33Å; D549-E551 PolarHBondContact O-N 3.16Å; D549-S552 PolarHBondContact O-OG 3.26Å | ||
| 550 | L | 32 | Very low | 32 | Very low | 127 Ų | 127 | 105.3 Ų | 105.3 | 67% | 0.665 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.1 | -18.4 | -177.5 | -113.7 | 95.3 | 0 | 0 | 0 | 112.8 | G548 T553 R554 | G548-L550 PolarHBondContact O-N 3.44Å; L550-T553 PolarHBondContact O-OG1 3.35Å; L550-R554 PolarHBondContact O-N 3.44Å |
| 551 | E | 35.1 | Very low | 32 | Very low | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.2 | -38.3 | -173.1 | -123 | 167.7 | -171.1 | 0 | 0 | 112.6 | D549 T553 R554 L555 | D549-E551 PolarHBondContact O-N 3.16Å; E551-T553 PolarHBondContact O-N 3.15Å; E551-R554 PolarHBondContact O-N 3.25Å; E551-L555 PolarHBondContact O-N 3.09Å; E551-L555 VanDerWaalsContact O-N 3.12Å |
| 552 | S | 32.2 | Very low | 32.3 | Very low | 63 Ų | 63 | 106.9 Ų | 106.9 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.1 | -24 | 176.3 | 36.3 | 0 | 0 | 0 | 0 | 112.7 | D549 L556 | D549-S552 PolarHBondContact O-OG 3.26Å; S552-L556 PolarHBondContact O-N 3.42Å |
| 553 | T | 32.6 | Very low | 32.4 | Very low | 84 Ų | 84 | 103.2 Ų | 103.2 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.5 | -38.8 | 172.8 | 5.9 | 0 | 0 | 0 | 0 | 112.6 | L550 E551 L556 E557 | L550-T553 PolarHBondContact O-OG1 3.35Å; E551-T553 PolarHBondContact O-N 3.15Å; T553-L556 WeakPolarHBondContact O-CB 3.45Å; T553-L556 PolarHBondContact O-N 3.03Å; T553-E557 PolarHBondContact O-N 2.84Å; T553-E557 VanDerWaalsContact O-N 3.14Å |
| 554 | R | 35.5 | Very low | 32.4 | Very low | 178 Ų | 178 | 101.7 Ų | 101.7 | 67% | 0.672 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.7 | -38.5 | 175.8 | -78.1 | -176.2 | 175.7 | 170.7 | 0.4 | 112.8 | L550 E551 L556 E557 S558 | L550-R554 PolarHBondContact O-N 3.44Å; E551-R554 PolarHBondContact O-N 3.25Å; R554-L556 VanDerWaalsContact C-N 3.26Å; R554-L556 PolarHBondContact O-N 3.36Å; R554-E557 PolarHBondContact O-N 3.41Å; R554-S558 PolarHBondContact O-N 3.28Å; R554-S558 VanDerWaalsContact O-N 3.12Å |
| 555 | L | 34 | Very low | 32.5 | Very low | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.4 | -33.7 | 172.8 | -94.5 | 153.8 | 0 | 0 | 0 | 112.3 | E551 S558 L559 | E551-L555 PolarHBondContact O-N 3.09Å; E551-L555 VanDerWaalsContact O-N 3.12Å; L555-S558 PolarHBondContact O-OG 3.01Å; L555-L559 WeakPolarHBondContact O-CD1 3.39Å; L555-L559 PolarHBondContact O-N 2.98Å |
| 556 | L | 30.3 | Very low | 32.5 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 173.7 | -88.2 | 160 | 0 | 0 | 0 | 112.7 | P537 S552 T553 R554 N560 | P537-L556 HydrophobicContact CB-CD2 4.13Å; P537-L556 HydrophobicContact CG-CD2 3.92Å; S552-L556 PolarHBondContact O-N 3.42Å; T553-L556 WeakPolarHBondContact O-CB 3.45Å; T553-L556 PolarHBondContact O-N 3.03Å; R554-L556 VanDerWaalsContact C-N 3.26Å; R554-L556 PolarHBondContact O-N 3.36Å; L556-N560 WeakPolarHBondContact O-CB 3.49Å; L556-N560 PolarHBondContact O-N 3.03Å |
| 557 | E | 34.5 | Very low | 32.5 | Very low | 133 Ų | 133 | 92.7 Ų | 92.7 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.7 | -38.7 | 177 | -76.5 | -176.5 | 158.4 | 0 | 0 | 112.4 | T553 R554 N560 L561 | T553-E557 PolarHBondContact O-N 2.84Å; T553-E557 VanDerWaalsContact O-N 3.14Å; R554-E557 PolarHBondContact O-N 3.41Å; E557-N560 PolarHBondContact O-N 2.91Å; E557-L561 PolarHBondContact O-N 3.19Å; E557-L561 VanDerWaalsContact O-N 3.09Å |
| 558 | S | 35.6 | Very low | 32.1 | Very low | 64 Ų | 64 | 95.2 Ų | 95.2 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 177.1 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | R554 L555 N560 L561 E562 | R554-S558 PolarHBondContact O-N 3.28Å; R554-S558 VanDerWaalsContact O-N 3.12Å; L555-S558 PolarHBondContact O-OG 3.01Å; S558-N560 VanDerWaalsContact C-N 3.33Å; S558-N560 PolarHBondContact O-N 2.8Å; S558-L561 PolarHBondContact O-N 2.86Å; S558-E562 PolarHBondContact O-N 3.17Å |
| 559 | L | 33 | Very low | 32.2 | Very low | 67 Ų | 67 | 94.6 Ų | 94.6 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -35.7 | 174.4 | -79.8 | 160.7 | 0 | 0 | 0 | 112.5 | L461 L555 L561 T563 | L461-L559 HydrophobicContact CD2-CD1 3.77Å; L461-L559 HydrophobicContact CD2-CD2 4.21Å; L555-L559 WeakPolarHBondContact O-CD1 3.39Å; L555-L559 PolarHBondContact O-N 2.98Å; L559-L561 VanDerWaalsContact C-N 3.34Å; L559-T563 WeakPolarHBondContact O-CB 3.24Å; L559-T563 WeakPolarHBondContact O-CG2 3.44Å; L559-T563 PolarHBondContact O-N 3.01Å; L559-T563 PolarHBondContact O-OG1 3.09Å |
| 560 | N | 32.5 | Very low | 31.8 | Very low | 112 Ų | 112 | 93.9 Ų | 93.9 | 60% | 0.599 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.1 | -32.4 | 176.3 | -125.4 | -1.5 | 0 | 0 | 0 | 112.3 | L556 E557 S558 T563 S564 | L556-N560 WeakPolarHBondContact O-CB 3.49Å; L556-N560 PolarHBondContact O-N 3.03Å; E557-N560 PolarHBondContact O-N 2.91Å; S558-N560 VanDerWaalsContact C-N 3.33Å; S558-N560 PolarHBondContact O-N 2.8Å; N560-T563 WeakPolarHBondContact CA-OG1 3.46Å; N560-T563 PolarHBondContact O-OG1 3.03Å; N560-S564 WeakPolarHBondContact O-CB 3.34Å; N560-S564 PolarHBondContact O-N 3.27Å; N560-S564 VanDerWaalsContact O-N 3.12Å; N560-S564 PolarHBondContact O-OG 3.5Å |
| 561 | L | 30.4 | Very low | 31.8 | Very low | 124 Ų | 124 | 90.2 Ų | 90.2 | 65% | 0.649 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.8 | -45.2 | 174.6 | -106.8 | 90 | 0 | 0 | 0 | 112.1 | E557 S558 L559 T563 S564 C565 | E557-L561 PolarHBondContact O-N 3.19Å; E557-L561 VanDerWaalsContact O-N 3.09Å; S558-L561 PolarHBondContact O-N 2.86Å; L559-L561 VanDerWaalsContact C-N 3.34Å; L561-T563 PolarHBondContact O-N 3.33Å; L561-S564 PolarHBondContact O-N 3.48Å; L561-C565 PolarHBondContact O-N 3.31Å |
| 562 | E | 32.5 | Very low | 31.7 | Very low | 75 Ų | 75 | 87.3 Ų | 87.3 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 178 | -89.9 | -164.2 | 130.1 | 0 | 0 | 112.1 | S558 C565 R566 | S558-E562 PolarHBondContact O-N 3.17Å; E562-C565 PolarHBondContact O-N 2.83Å; E562-R566 PolarHBondContact O-N 3.21Å; E562-R566 VanDerWaalsContact O-N 3.09Å |
| 563 | T | 30.9 | Very low | 31.6 | Very low | 33 Ų | 33 | 87.2 Ų | 87.2 | 20% | 0.202 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 176.6 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | L534 L559 N560 L561 R566 L567 | L534-T563 HydrophobicContact CD2-CG2 3.95Å; L559-T563 WeakPolarHBondContact O-CB 3.24Å; L559-T563 WeakPolarHBondContact O-CG2 3.44Å; L559-T563 PolarHBondContact O-N 3.01Å; L559-T563 PolarHBondContact O-OG1 3.09Å; N560-T563 WeakPolarHBondContact CA-OG1 3.46Å; N560-T563 PolarHBondContact O-OG1 3.03Å; L561-T563 PolarHBondContact O-N 3.33Å; T563-R566 PolarHBondContact O-N 2.9Å; T563-L567 WeakPolarHBondContact O-CB 3.34Å; T563-L567 WeakPolarHBondContact O-CG 3.37Å; T563-L567 PolarHBondContact O-N 2.83Å |
| 564 | S | 29.2 | Very low | 31.6 | Very low | 66 Ų | 66 | 85.9 Ų | 85.9 | 46% | 0.462 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 173.5 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | N560 L561 L567 Q568 | N560-S564 WeakPolarHBondContact O-CB 3.34Å; N560-S564 PolarHBondContact O-N 3.27Å; N560-S564 VanDerWaalsContact O-N 3.12Å; N560-S564 PolarHBondContact O-OG 3.5Å; L561-S564 PolarHBondContact O-N 3.48Å; S564-L567 PolarHBondContact O-N 3.28Å; S564-Q568 PolarHBondContact O-N 2.95Å; S564-Q568 VanDerWaalsContact O-N 3.14Å |
| 565 | C | 29.2 | Very low | 31.3 | Very low | 80 Ų | 80 | 82.3 Ų | 82.3 | 54% | 0.541 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 177.6 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | L561 E562 Q568 S569 | L561-C565 PolarHBondContact O-N 3.31Å; E562-C565 PolarHBondContact O-N 2.83Å; C565-Q568 PolarHBondContact O-N 3.3Å; C565-S569 PolarHBondContact O-N 2.85Å |
| 566 | R | 28.3 | Very low | 31 | Very low | 115 Ų | 115 | 83 Ų | 83 | 43% | 0.434 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.4 | -30.1 | 177.2 | -70.9 | -172 | -177.3 | -145.1 | 1.6 | 113.3 | E562 T563 Q568 S569 T570 | E562-R566 PolarHBondContact O-N 3.21Å; E562-R566 VanDerWaalsContact O-N 3.09Å; T563-R566 PolarHBondContact O-N 2.9Å; R566-Q568 VanDerWaalsContact C-N 3.32Å; R566-S569 PolarHBondContact O-OG 2.92Å; R566-T570 WeakPolarHBondContact O-CB 3.41Å; R566-T570 WeakPolarHBondContact O-CG2 3.32Å; R566-T570 PolarHBondContact O-N 3.22Å; R566-T570 VanDerWaalsContact O-N 3.08Å; R566-T570 PolarHBondContact O-OG1 3.07Å |
| 567 | L | 29.4 | Very low | 31.1 | Very low | 88 Ų | 88 | 81.8 Ų | 81.8 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 169.6 | -82.8 | 161.5 | 0 | 0 | 0 | 111.9 | T563 S564 S571 | T563-L567 WeakPolarHBondContact O-CB 3.34Å; T563-L567 WeakPolarHBondContact O-CG 3.37Å; T563-L567 PolarHBondContact O-N 2.83Å; S564-L567 PolarHBondContact O-N 3.28Å; L567-S571 WeakPolarHBondContact O-CB 3.28Å; L567-S571 PolarHBondContact O-N 3.08Å; L567-S571 PolarHBondContact O-OG 3.27Å |
| 568 | Q | 29.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 79.5 Ų | 79.5 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -68.1 | -40.1 | 175.4 | -77.4 | -177.2 | -16.6 | 0 | 0 | 112.7 | S564 C565 R566 S571 S572 | S564-Q568 PolarHBondContact O-N 2.95Å; S564-Q568 VanDerWaalsContact O-N 3.14Å; C565-Q568 PolarHBondContact O-N 3.3Å; R566-Q568 VanDerWaalsContact C-N 3.32Å; Q568-S571 PolarHBondContact O-OG 3.3Å; Q568-S572 WeakPolarHBondContact O-CB 3.36Å; Q568-S572 PolarHBondContact O-N 3.07Å; Q568-S572 VanDerWaalsContact O-N 3.11Å; Q568-S572 PolarHBondContact O-OG 3.34Å |
| 569 | S | 31.6 | Very low | 30.4 | Very low | 75 Ų | 75 | 83.3 Ų | 83.3 | 52% | 0.524 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.4 | -44.2 | 179.8 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | C565 R566 S572 S573 | C565-S569 PolarHBondContact O-N 2.85Å; R566-S569 PolarHBondContact O-OG 2.92Å; S569-S572 PolarHBondContact O-N 3.4Å; S569-S573 PolarHBondContact O-N 3.41Å |
| 570 | T | 29.7 | Very low | 30.1 | Very low | 54 Ų | 54 | 85.3 Ų | 85.3 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 179.4 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | R566 S572 S573 C574 | R566-T570 WeakPolarHBondContact O-CB 3.41Å; R566-T570 WeakPolarHBondContact O-CG2 3.32Å; R566-T570 PolarHBondContact O-N 3.22Å; R566-T570 VanDerWaalsContact O-N 3.08Å; R566-T570 PolarHBondContact O-OG1 3.07Å; T570-S572 VanDerWaalsContact C-N 3.34Å; T570-S573 PolarHBondContact O-OG 2.76Å; T570-C574 WeakPolarHBondContact O-CB 3.25Å; T570-C574 PolarHBondContact O-N 2.94Å; T570-C574 VanDerWaalsContact O-N 3.11Å |
| 571 | S | 32.6 | Very low | 29.9 | Very low | 50 Ų | 50 | 82.5 Ų | 82.5 | 35% | 0.35 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.7 | -33.9 | 172.8 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | L567 Q568 L575 | L567-S571 WeakPolarHBondContact O-CB 3.28Å; L567-S571 PolarHBondContact O-N 3.08Å; L567-S571 PolarHBondContact O-OG 3.27Å; Q568-S571 PolarHBondContact O-OG 3.3Å; S571-L575 WeakPolarHBondContact O-CB 3.21Å; S571-L575 WeakPolarHBondContact O-CD1 3.11Å; S571-L575 WeakPolarHBondContact O-CG 3.4Å; S571-L575 PolarHBondContact O-N 3.45Å |
| 572 | S | 31.9 | Very low | 29.7 | Very low | 64 Ų | 64 | 78.6 Ų | 78.6 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.8 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | Q568 S569 T570 L576 | Q568-S572 WeakPolarHBondContact O-CB 3.36Å; Q568-S572 PolarHBondContact O-N 3.07Å; Q568-S572 VanDerWaalsContact O-N 3.11Å; Q568-S572 PolarHBondContact O-OG 3.34Å; S569-S572 PolarHBondContact O-N 3.4Å; T570-S572 VanDerWaalsContact C-N 3.34Å; S572-L576 WeakPolarHBondContact O-CB 3.43Å; S572-L576 WeakPolarHBondContact O-CD1 3.46Å; S572-L576 PolarHBondContact O-N 3.44Å |
| 573 | S | 31.7 | Very low | 29.3 | Very low | 62 Ų | 62 | 84.9 Ų | 84.9 | 43% | 0.434 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.2 | -34.4 | 179.8 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | S569 T570 S577 | S569-S573 PolarHBondContact O-N 3.41Å; T570-S573 PolarHBondContact O-OG 2.76Å; S573-S577 PolarHBondContact O-N 3.15Å; S573-S577 PolarHBondContact O-OG 2.97Å |
| 574 | C | 32.4 | Very low | 29.1 | Very low | 55 Ų | 55 | 89.3 Ų | 89.3 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.3 | -37 | 174.8 | -88.2 | 0 | 0 | 0 | 0 | 112.5 | T570 S577 L578 | T570-C574 WeakPolarHBondContact O-CB 3.25Å; T570-C574 PolarHBondContact O-N 2.94Å; T570-C574 VanDerWaalsContact O-N 3.11Å; C574-S577 PolarHBondContact O-N 2.75Å; C574-L578 WeakPolarHBondContact O-CG 3.22Å; C574-L578 PolarHBondContact O-N 3.19Å |
| 575 | L | 28.6 | Very low | 28.9 | Very low | 103 Ų | 103 | 89.1 Ų | 89.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 178.6 | -72.7 | 169.8 | 0 | 0 | 0 | 112.1 | S571 S577 L578 E579 | S571-L575 WeakPolarHBondContact O-CB 3.21Å; S571-L575 WeakPolarHBondContact O-CD1 3.11Å; S571-L575 WeakPolarHBondContact O-CG 3.4Å; S571-L575 PolarHBondContact O-N 3.45Å; L575-S577 PolarHBondContact O-N 2.85Å; L575-L578 HydrophobicContact CD2-CD1 4.24Å; L575-L578 CarbonylContact O-C 3.52Å; L575-L578 PolarHBondContact O-N 3.25Å; L575-E579 PolarHBondContact O-N 2.87Å |
| 576 | L | 28.3 | Very low | 28.6 | Very low | 116 Ų | 116 | 90.3 Ų | 90.3 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -34.9 | 171.3 | -101.9 | 121 | 0 | 0 | 0 | 112.1 | S572 L578 E579 L580 | S572-L576 WeakPolarHBondContact O-CB 3.43Å; S572-L576 WeakPolarHBondContact O-CD1 3.46Å; S572-L576 PolarHBondContact O-N 3.44Å; L576-L578 VanDerWaalsContact C-N 3.32Å; L576-E579 PolarHBondContact O-N 3.49Å; L576-L580 PolarHBondContact O-N 3.23Å |
| 577 | S | 31.5 | Very low | 28.5 | Very low | 47 Ų | 47 | 96.7 Ų | 96.7 | 33% | 0.329 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.2 | -28.3 | 174.9 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | S573 C574 L575 | S573-S577 PolarHBondContact O-N 3.15Å; S573-S577 PolarHBondContact O-OG 2.97Å; C574-S577 PolarHBondContact O-N 2.75Å; L575-S577 PolarHBondContact O-N 2.85Å |
| 578 | L | 27.5 | Very low | 28.2 | Very low | 85 Ų | 85 | 96.6 Ų | 96.6 | 45% | 0.445 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -77.1 | -32.6 | 173.4 | -77.5 | 161.3 | 0 | 0 | 0 | 112.6 | C574 L575 L576 L580 S581 G582 | C574-L578 WeakPolarHBondContact O-CG 3.22Å; C574-L578 PolarHBondContact O-N 3.19Å; L575-L578 HydrophobicContact CD2-CD1 4.24Å; L575-L578 CarbonylContact O-C 3.52Å; L575-L578 PolarHBondContact O-N 3.25Å; L576-L578 VanDerWaalsContact C-N 3.32Å; L578-L580 VanDerWaalsContact C-N 3.32Å; L578-L580 PolarHBondContact O-N 3.38Å; L578-S581 PolarHBondContact O-N 3.09Å; L578-S581 VanDerWaalsContact O-N 3.13Å; L578-S581 PolarHBondContact O-OG 3.37Å; L578-G582 PolarHBondContact O-N 3.18Å |
| 579 | E | 27.8 | Very low | 28.1 | Very low | 144 Ų | 144 | 94 Ų | 94 | 67% | 0.673 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -32.2 | 175.9 | -86.8 | -174.5 | 164.2 | 0 | 0 | 113.3 | L575 L576 S581 G582 R583 | L575-E579 PolarHBondContact O-N 2.87Å; L576-E579 PolarHBondContact O-N 3.49Å; E579-S581 PolarHBondContact O-N 3.45Å; E579-G582 WeakPolarHBondContact O-CA 3.37Å; E579-G582 PolarHBondContact O-N 3.49Å; E579-R583 PolarHBondContact O-N 2.87Å |
| 580 | L | 28 | Very low | 27.9 | Very low | 108 Ų | 108 | 96.2 Ų | 96.2 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.4 | -30.7 | 173 | -82.8 | 162.4 | 0 | 0 | 0 | 112.3 | L576 L578 G582 | L576-L580 PolarHBondContact O-N 3.23Å; L578-L580 VanDerWaalsContact C-N 3.32Å; L578-L580 PolarHBondContact O-N 3.38Å; L580-G582 VanDerWaalsContact C-N 3.26Å; L580-G582 PolarHBondContact O-N 3.05Å |
| 581 | S | 27.8 | Very low | 28.2 | Very low | 54 Ų | 54 | 97.7 Ų | 97.7 | 38% | 0.378 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.3 | -19.9 | 170 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | L578 E579 V584 | L578-S581 PolarHBondContact O-N 3.09Å; L578-S581 VanDerWaalsContact O-N 3.13Å; L578-S581 PolarHBondContact O-OG 3.37Å; E579-S581 PolarHBondContact O-N 3.45Å; S581-V584 WeakPolarHBondContact O-CB 3.49Å; S581-V584 PolarHBondContact O-N 2.9Å |
| 582 | G | 25.1 | Very low | 28.4 | Very low | 41 Ų | 41 | 101.1 Ų | 101.1 | 42% | 0.423 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.1 | -24.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L578 E579 L580 V584 A585 | L578-G582 PolarHBondContact O-N 3.18Å; E579-G582 WeakPolarHBondContact O-CA 3.37Å; E579-G582 PolarHBondContact O-N 3.49Å; L580-G582 VanDerWaalsContact C-N 3.26Å; L580-G582 PolarHBondContact O-N 3.05Å; G582-V584 PolarHBondContact O-N 3.36Å; G582-A585 PolarHBondContact O-N 3.31Å |
| 583 | R | 25.5 | Very low | 28.7 | Very low | 207 Ų | 207 | 101 Ų | 101 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -65.4 | -21.8 | 172.5 | -77.7 | -170.8 | 176.8 | 179.4 | 0.3 | 112.9 | E579 A585 S586 | E579-R583 PolarHBondContact O-N 2.87Å; R583-A585 VanDerWaalsContact C-N 3.27Å; R583-A585 PolarHBondContact O-N 3.44Å; R583-S586 PolarHBondContact O-OG 3.3Å |
| 584 | V | 26.5 | Very low | 29 | Very low | 126 Ų | 126 | 102.7 Ų | 102.7 | 76% | 0.764 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -74.6 | -18.2 | 173.1 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | S581 G582 | S581-V584 WeakPolarHBondContact O-CB 3.49Å; S581-V584 PolarHBondContact O-N 2.9Å; G582-V584 PolarHBondContact O-N 3.36Å |
| 585 | A | 23.8 | Very low | 29.1 | Very low | 62 Ų | 62 | 104.6 Ų | 104.6 | 51% | 0.512 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -103.2 | 24.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G582 R583 R587 | G582-A585 PolarHBondContact O-N 3.31Å; R583-A585 VanDerWaalsContact C-N 3.27Å; R583-A585 PolarHBondContact O-N 3.44Å; A585-R587 PolarHBondContact O-N 2.92Å |
| 586 | S | 24 | Very low | 29.5 | Very low | 105 Ų | 105 | 101.5 Ų | 101.5 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 23.1 | -179.4 | 57.7 | 0 | 0 | 0 | 0 | 115.8 | R583 | R583-S586 PolarHBondContact O-OG 3.3Š|
| 587 | R | 24.8 | Very low | 30.1 | Very low | 249 Ų | 249 | 99.4 Ų | 99.4 | 94% | 0.94 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | 8.2 | 176 | -79 | -165.4 | 175.6 | -161.9 | 0.3 | 116.9 | A585 | A585-R587 PolarHBondContact O-N 2.92Š|
| 588 | S | 25.1 | Very low | 30.4 | Very low | 87 Ų | 87 | 100.7 Ų | 100.7 | 61% | 0.608 | 57% | 0.574 | S | S | * | * | trans | -144.7 | 105.3 | 169.2 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | D590 | S588-D590 PolarHBondContact O-N 3.23Å; S588-D590 VanDerWaalsContact O-N 3.1Å | ||
| 589 | G | 25.1 | Very low | 30.7 | Very low | 80 Ų | 80 | 100.2 Ų | 100.2 | 83% | 0.825 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 22.2 | -162.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 590 | D | 28.7 | Very low | 31.1 | Very low | 121 Ų | 121 | 99.9 Ų | 99.9 | 65% | 0.647 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.7 | 5.3 | -177.2 | -82.7 | -47.2 | 0 | 0 | 0 | 116.4 | S588 L592 | S588-D590 PolarHBondContact O-N 3.23Å; S588-D590 VanDerWaalsContact O-N 3.1Å; D590-L592 PolarHBondContact O-N 3.48Å |
| 591 | C | 36.2 | Very low | 31.6 | Very low | 86 Ų | 86 | 105.6 Ų | 105.6 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.4 | -27.1 | -161.9 | -150.6 | 0 | 0 | 0 | 0 | 116.2 | L595 | C591-L595 VanDerWaalsContact O-CB 3.27Å; C591-L595 WeakPolarHBondContact O-CB 3.46Å; C591-L595 PolarHBondContact O-N 3.01Å |
| 592 | L | 35.7 | Very low | 32.2 | Very low | 121 Ų | 121 | 108.6 Ų | 108.6 | 63% | 0.634 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75.2 | -37 | -174.2 | -165.1 | 72.8 | 0 | 0 | 0 | 112.9 | D590 L596 | D590-L592 PolarHBondContact O-N 3.48Å; L592-L596 WeakPolarHBondContact O-CG 3.43Å; L592-L596 PolarHBondContact O-N 3.22Å |
| 593 | S | 39.6 | Very low | 32.6 | Very low | 62 Ų | 62 | 109.8 Ų | 109.8 | 43% | 0.434 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.7 | -43.4 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | L596 T597 | S593-L596 PolarHBondContact O-N 3.47Å; S593-T597 WeakPolarHBondContact O-CB 3.42Å; S593-T597 PolarHBondContact O-N 3.07Å; S593-T597 VanDerWaalsContact O-N 3.08Å; S593-T597 PolarHBondContact O-OG1 3Å |
| 594 | D | 37.3 | Very low | 33 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.6 | -41.5 | 178.9 | -68.5 | -16.4 | 0 | 0 | 0 | 111.3 | L596 T597 V598 | D594-L596 PolarHBondContact O-N 3.28Å; D594-T597 PolarHBondContact O-N 3.22Å; D594-V598 VanDerWaalsContact O-CG2 3.28Å; D594-V598 WeakPolarHBondContact O-CG2 3.46Å; D594-V598 PolarHBondContact O-N 3.38Å |
| 595 | L | 35.2 | Very low | 33.4 | Very low | 95 Ų | 95 | 100.3 Ų | 100.3 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.8 | -45.3 | 178.6 | -165.5 | 80.9 | 0 | 0 | 0 | 112.4 | C591 T597 V598 K599 | C591-L595 VanDerWaalsContact O-CB 3.27Å; C591-L595 WeakPolarHBondContact O-CB 3.46Å; C591-L595 PolarHBondContact O-N 3.01Å; L595-T597 VanDerWaalsContact C-N 3.28Å; L595-T597 PolarHBondContact O-N 3.22Å; L595-V598 PolarHBondContact O-N 3.09Å; L595-K599 WeakPolarHBondContact O-CB 3.45Å; L595-K599 VanDerWaalsContact O-CG 3.26Å; L595-K599 WeakPolarHBondContact O-CG 3.46Å; L595-K599 PolarHBondContact O-N 2.94Å |
| 596 | L | 36.3 | Very low | 34.5 | Very low | 39 Ų | 39 | 101.8 Ų | 101.8 | 20% | 0.204 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -64.9 | -35.4 | 177.5 | -71.5 | 171 | 0 | 0 | 0 | 111.5 | L592 S593 D594 R600 I605 A613 | L592-L596 WeakPolarHBondContact O-CG 3.43Å; L592-L596 PolarHBondContact O-N 3.22Å; S593-L596 PolarHBondContact O-N 3.47Å; D594-L596 PolarHBondContact O-N 3.28Å; L596-R600 WeakPolarHBondContact O-CB 3.48Å; L596-R600 PolarHBondContact O-N 3.35Å; L596-I605 HydrophobicContact CD2-CD1 3.77Å; L596-A613 HydrophobicContact CD1-CB 3.82Å |
| 597 | T | 40.3 | Very low | 35.4 | Very low | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 176.8 | -54 | 0 | 0 | 0 | 0 | 111.5 | S593 D594 L595 R600 R601 | S593-T597 WeakPolarHBondContact O-CB 3.42Å; S593-T597 PolarHBondContact O-N 3.07Å; S593-T597 VanDerWaalsContact O-N 3.08Å; S593-T597 PolarHBondContact O-OG1 3Å; D594-T597 PolarHBondContact O-N 3.22Å; L595-T597 VanDerWaalsContact C-N 3.28Å; L595-T597 PolarHBondContact O-N 3.22Å; T597-R600 PolarHBondContact O-N 3.08Å; T597-R601 PolarHBondContact O-N 3.18Å; T597-R601 VanDerWaalsContact O-N 3.08Å |
| 598 | V | 37.5 | Very low | 36.1 | Very low | 74 Ų | 74 | 94.4 Ų | 94.4 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | D594 L595 R600 R601 E602 | D594-V598 VanDerWaalsContact O-CG2 3.28Å; D594-V598 WeakPolarHBondContact O-CG2 3.46Å; D594-V598 PolarHBondContact O-N 3.38Å; L595-V598 PolarHBondContact O-N 3.09Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 3.13Å; V598-R601 WeakPolarHBondContact O-CB 3.37Å; V598-R601 PolarHBondContact O-N 2.91Å; V598-R601 VanDerWaalsContact O-N 3.08Å; V598-E602 PolarHBondContact O-N 3.37Å |
| 599 | K | 35.3 | Very low | 36.8 | Very low | 74 Ų | 74 | 93.3 Ų | 93.3 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -29.6 | -179.9 | -71.1 | -69.1 | 175.7 | -159 | 0 | 113.7 | L595 E602 G603 I604 I605 | L595-K599 WeakPolarHBondContact O-CB 3.45Å; L595-K599 VanDerWaalsContact O-CG 3.26Å; L595-K599 WeakPolarHBondContact O-CG 3.46Å; L595-K599 PolarHBondContact O-N 2.94Å; K599-E602 IonicContact NZ-OE2 2.88Å; K599-E602 PolarHBondContact NZ-OE2 3.24Å; K599-G603 PolarHBondContact O-N 2.83Å; K599-I604 HydrophobicContact CD-CB 4.2Å; K599-I604 HydrophobicContact CD-CD1 3.69Å; K599-I604 HydrophobicContact CD-CG2 4.22Å; K599-I604 PolarHBondContact O-N 2.85Å; K599-I605 HydrophobicContact CB-CD1 3.35Å; K599-I605 HydrophobicContact CB-CG1 3.48Å; K599-I605 VanDerWaalsContact CB-CG1 3.48Å; K599-I605 HydrophobicContact CG-CD1 4.3Å |
| 600 | R | 35.2 | Very low | 37.5 | Very low | 138 Ų | 138 | 90.1 Ų | 90.1 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 168.5 | -177.7 | -176.5 | 179.2 | -130.5 | -3.5 | 111.5 | L596 T597 V598 E602 G603 D607 | L596-R600 WeakPolarHBondContact O-CB 3.48Å; L596-R600 PolarHBondContact O-N 3.35Å; T597-R600 PolarHBondContact O-N 3.08Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 3.13Å; R600-E602 VanDerWaalsContact C-N 3.28Å; R600-E602 PolarHBondContact O-N 3.21Å; R600-G603 PolarHBondContact O-N 2.87Å; R600-G603 VanDerWaalsContact O-N 3.09Å; R600-D607 IonicContact CZ-OD1 3.69Å; R600-D607 IonicContact NE-OD1 2.9Å; R600-D607 PolarHBondContact NE-OD1 2.92Å; R600-D607 IonicContact NH2-OD1 2.81Å; R600-D607 PolarHBondContact NH2-OD1 2.94Å |
| 601 | R | 38.7 | Very low | 38.1 | Very low | 228 Ų | 228 | 88.3 Ų | 88.3 | 86% | 0.86 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.9 | -34.1 | 176.3 | -87.9 | -175 | 173.4 | 173.9 | -0.9 | 112.7 | T597 V598 G603 | T597-R601 PolarHBondContact O-N 3.18Å; T597-R601 VanDerWaalsContact O-N 3.08Å; V598-R601 WeakPolarHBondContact O-CB 3.37Å; V598-R601 PolarHBondContact O-N 2.91Å; V598-R601 VanDerWaalsContact O-N 3.08Å; R601-G603 PolarHBondContact O-N 2.95Å |
| 602 | E | 40.8 | Very low | 38.2 | Very low | 116 Ų | 116 | 86.8 Ų | 86.8 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 0 | 175.9 | -66.4 | -176.8 | 157.7 | 0 | 0 | 113.4 | V598 K599 R600 I604 | V598-E602 PolarHBondContact O-N 3.37Å; K599-E602 IonicContact NZ-OE2 2.88Å; K599-E602 PolarHBondContact NZ-OE2 3.24Å; R600-E602 VanDerWaalsContact C-N 3.28Å; R600-E602 PolarHBondContact O-N 3.21Å; E602-I604 HydrophobicContact CB-CD1 3.68Å; E602-I604 HydrophobicContact CB-CG1 3.87Å; E602-I604 PolarHBondContact O-N 3.13Å; E602-I604 VanDerWaalsContact OE2-CD1 3.23Å; E602-I604 WeakPolarHBondContact OE2-CD1 3.31Å |
| 603 | G | 32.2 | Very low | 38.2 | Very low | 66 Ų | 66 | 82.9 Ų | 82.9 | 68% | 0.68 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 12.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K599 R600 R601 | K599-G603 PolarHBondContact O-N 2.83Å; R600-G603 PolarHBondContact O-N 2.87Å; R600-G603 VanDerWaalsContact O-N 3.09Å; R601-G603 PolarHBondContact O-N 2.95Å |
| 604 | I | 33.8 | Very low | 38.1 | Very low | 92 Ų | 92 | 86.1 Ų | 86.1 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -81.3 | -24.2 | -174.4 | -61.6 | 171.9 | 0 | 0 | 0 | 111.4 | K599 E602 | K599-I604 HydrophobicContact CD-CB 4.2Å; K599-I604 HydrophobicContact CD-CD1 3.69Å; K599-I604 HydrophobicContact CD-CG2 4.22Å; K599-I604 PolarHBondContact O-N 2.85Å; E602-I604 HydrophobicContact CB-CD1 3.68Å; E602-I604 HydrophobicContact CB-CG1 3.87Å; E602-I604 PolarHBondContact O-N 3.13Å; E602-I604 VanDerWaalsContact OE2-CD1 3.23Å; E602-I604 WeakPolarHBondContact OE2-CD1 3.31Å |
| 605 | I | 36.5 | Very low | 38 | Very low | 43 Ų | 43 | 91.1 Ų | 91.1 | 22% | 0.221 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -136.5 | 148 | 178.4 | 7.5 | 167.4 | 0 | 0 | 0 | 111.5 | L596 K599 T609 | L596-I605 HydrophobicContact CD2-CD1 3.77Å; K599-I605 HydrophobicContact CB-CD1 3.35Å; K599-I605 HydrophobicContact CB-CG1 3.48Å; K599-I605 VanDerWaalsContact CB-CG1 3.48Å; K599-I605 HydrophobicContact CG-CD1 4.3Å; I605-T609 HydrophobicContact CG2-CG2 3.58Å |
| 606 | N | 45.6 | Very low | 37.9 | Very low | 92 Ų | 92 | 94.6 Ų | 94.6 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | trans | -95.9 | 169.4 | 179.7 | 66.4 | 21 | 0 | 0 | 0 | 112.6 | V608 T609 V610 | N606-V608 PolarHBondContact O-N 2.88Å; N606-V608 WeakPolarHBondContact OD1-CB 3.11Å; N606-V608 PolarHBondContact OD1-N 2.82Å; N606-T609 PolarHBondContact O-N 3.08Å; N606-T609 VanDerWaalsContact O-N 3.13Å; N606-T609 PolarHBondContact OD1-N 2.9Å; N606-T609 PolarHBondContact OD1-OG1 3.27Å; N606-V610 PolarHBondContact O-N 3.3Å | ||
| 607 | D | 44.2 | Very low | 37.6 | Very low | 88 Ų | 88 | 99.5 Ų | 99.5 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -28.3 | -178.7 | -73.6 | -26 | 0 | 0 | 0 | 112.9 | R600 T609 V610 N611 | R600-D607 IonicContact CZ-OD1 3.69Å; R600-D607 IonicContact NE-OD1 2.9Å; R600-D607 PolarHBondContact NE-OD1 2.92Å; R600-D607 IonicContact NH2-OD1 2.81Å; R600-D607 PolarHBondContact NH2-OD1 2.94Å; D607-T609 VanDerWaalsContact C-N 3.34Å; D607-T609 PolarHBondContact O-N 3.05Å; D607-V610 PolarHBondContact O-N 2.77Å; D607-N611 VanDerWaalsContact O-CB 3.26Å; D607-N611 WeakPolarHBondContact O-CB 3.35Å; D607-N611 VanDerWaalsContact O-CG 3.27Å; D607-N611 PolarHBondContact O-N 3.06Å; D607-N611 PolarHBondContact O-ND2 3.47Å |
| 608 | V | 39.7 | Very low | 37 | Very low | 111 Ų | 111 | 100.6 Ų | 100.6 | 67% | 0.673 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 176.1 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | N606 N611 A612 | N606-V608 PolarHBondContact O-N 2.88Å; N606-V608 WeakPolarHBondContact OD1-CB 3.11Å; N606-V608 PolarHBondContact OD1-N 2.82Å; V608-N611 PolarHBondContact O-N 3.31Å; V608-A612 WeakPolarHBondContact O-CB 3.49Å; V608-A612 PolarHBondContact O-N 3.5Å |
| 609 | T | 38.4 | Very low | 36.4 | Very low | 65 Ų | 65 | 100.1 Ų | 100.1 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.8 | -41.8 | -178.7 | -43 | 0 | 0 | 0 | 0 | 111.4 | I605 N606 D607 N611 A612 A613 | I605-T609 HydrophobicContact CG2-CG2 3.58Å; N606-T609 PolarHBondContact O-N 3.08Å; N606-T609 VanDerWaalsContact O-N 3.13Å; N606-T609 PolarHBondContact OD1-N 2.9Å; N606-T609 PolarHBondContact OD1-OG1 3.27Å; D607-T609 VanDerWaalsContact C-N 3.34Å; D607-T609 PolarHBondContact O-N 3.05Å; T609-N611 VanDerWaalsContact C-N 3.35Å; T609-N611 PolarHBondContact O-N 2.85Å; T609-A612 PolarHBondContact O-N 2.98Å; T609-A613 PolarHBondContact O-N 3Å; T609-A613 VanDerWaalsContact O-N 3.13Å |
| 610 | V | 41 | Very low | 36 | Very low | 12 Ų | 12 | 104.1 Ų | 104.1 | 7% | 0.073 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 111 | N606 D607 A613 K614 | N606-V610 PolarHBondContact O-N 3.3Å; D607-V610 PolarHBondContact O-N 2.77Å; V610-A613 PolarHBondContact O-N 3.45Å; V610-K614 HydrophobicContact CG1-CD 4.26Å; V610-K614 WeakPolarHBondContact O-CG 3.44Å; V610-K614 PolarHBondContact O-N 3.15Å |
| 611 | N | 41.6 | Very low | 35.6 | Very low | 84 Ų | 84 | 106.6 Ų | 106.6 | 45% | 0.449 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | 179.5 | -77.3 | -30.2 | 0 | 0 | 0 | 112.9 | D607 V608 T609 K614 R615 | D607-N611 VanDerWaalsContact O-CB 3.26Å; D607-N611 WeakPolarHBondContact O-CB 3.35Å; D607-N611 VanDerWaalsContact O-CG 3.27Å; D607-N611 PolarHBondContact O-N 3.06Å; D607-N611 PolarHBondContact O-ND2 3.47Å; V608-N611 PolarHBondContact O-N 3.31Å; T609-N611 VanDerWaalsContact C-N 3.35Å; T609-N611 PolarHBondContact O-N 2.85Å; N611-K614 PolarHBondContact O-N 3.04Å; N611-R615 WeakPolarHBondContact O-CB 3.26Å; N611-R615 WeakPolarHBondContact O-CG 3.39Å; N611-R615 PolarHBondContact O-N 3.37Å |
| 612 | A | 36.7 | Very low | 34.9 | Very low | 53 Ų | 53 | 101.1 Ų | 101.1 | 44% | 0.438 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V608 T609 K614 R615 F616 | V608-A612 WeakPolarHBondContact O-CB 3.49Å; V608-A612 PolarHBondContact O-N 3.5Å; T609-A612 PolarHBondContact O-N 2.98Å; A612-K614 PolarHBondContact O-N 3.41Å; A612-R615 PolarHBondContact O-N 3.31Å; A612-F616 PolarHBondContact O-N 2.98Å; A612-F616 VanDerWaalsContact O-N 3.12Å |
| 613 | A | 36.2 | Very low | 34.2 | Very low | 40 Ų | 40 | 100.2 Ų | 100.2 | 33% | 0.331 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L596 T609 V610 F616 K617 | L596-A613 HydrophobicContact CD1-CB 3.82Å; T609-A613 PolarHBondContact O-N 3Å; T609-A613 VanDerWaalsContact O-N 3.13Å; V610-A613 PolarHBondContact O-N 3.45Å; A613-F616 PolarHBondContact O-N 2.88Å; A613-K617 PolarHBondContact O-N 3.42Å |
| 614 | K | 38.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 103.7 Ų | 103.7 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 174.8 | -76.2 | -180 | 179 | -178.6 | 0 | 112.7 | V610 N611 A612 F616 K617 C618 | V610-K614 HydrophobicContact CG1-CD 4.26Å; V610-K614 WeakPolarHBondContact O-CG 3.44Å; V610-K614 PolarHBondContact O-N 3.15Å; N611-K614 PolarHBondContact O-N 3.04Å; A612-K614 PolarHBondContact O-N 3.41Å; K614-F616 VanDerWaalsContact C-N 3.31Å; K614-F616 PolarHBondContact O-N 3.07Å; K614-K617 WeakPolarHBondContact O-CB 3.23Å; K614-K617 PolarHBondContact O-N 2.64Å; K614-C618 PolarHBondContact O-N 3.14Å |
| 615 | R | 35.5 | Very low | 33.4 | Very low | 202 Ų | 202 | 110.4 Ų | 110.4 | 76% | 0.762 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.7 | -36.7 | 176.4 | -80.8 | -177.5 | 177.2 | 179.7 | -0.3 | 111.8 | N611 A612 K617 C618 A619 | N611-R615 WeakPolarHBondContact O-CB 3.26Å; N611-R615 WeakPolarHBondContact O-CG 3.39Å; N611-R615 PolarHBondContact O-N 3.37Å; A612-R615 PolarHBondContact O-N 3.31Å; R615-K617 VanDerWaalsContact C-N 3.33Å; R615-K617 PolarHBondContact O-N 2.65Å; R615-C618 PolarHBondContact O-N 3.39Å; R615-C618 VanDerWaalsContact O-N 3.12Å; R615-A619 PolarHBondContact O-N 2.89Å |
| 616 | F | 31.5 | Very low | 32.8 | Very low | 168 Ų | 168 | 114.2 Ų | 114.2 | 74% | 0.737 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.6 | -38.9 | 172.4 | -104.7 | -87.7 | 0 | 0 | 0 | 112.6 | A612 A613 K614 C618 A619 E620 | A612-F616 PolarHBondContact O-N 2.98Å; A612-F616 VanDerWaalsContact O-N 3.12Å; A613-F616 PolarHBondContact O-N 2.88Å; K614-F616 VanDerWaalsContact C-N 3.31Å; K614-F616 PolarHBondContact O-N 3.07Å; F616-C618 PolarHBondContact O-N 3.27Å; F616-A619 PolarHBondContact O-N 3.22Å; F616-A619 VanDerWaalsContact O-N 3.09Å; F616-E620 PolarHBondContact O-N 3.13Å |
| 617 | K | 30.2 | Very low | 31.8 | Very low | 141 Ų | 141 | 115.1 Ų | 115.1 | 61% | 0.613 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -24.7 | 174.4 | -135.2 | -176.4 | -173.5 | -175.6 | 0 | 113.6 | A613 K614 R615 | A613-K617 PolarHBondContact O-N 3.42Å; K614-K617 WeakPolarHBondContact O-CB 3.23Å; K614-K617 PolarHBondContact O-N 2.64Å; R615-K617 VanDerWaalsContact C-N 3.33Å; R615-K617 PolarHBondContact O-N 2.65Å |
| 618 | C | 27.2 | Very low | 30.9 | Very low | 96 Ų | 96 | 117.1 Ų | 117.1 | 65% | 0.649 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.7 | -31.2 | 172.2 | -89.5 | 0 | 0 | 0 | 0 | 112.7 | K614 R615 F616 E620 K621 | K614-C618 PolarHBondContact O-N 3.14Å; R615-C618 PolarHBondContact O-N 3.39Å; R615-C618 VanDerWaalsContact O-N 3.12Å; F616-C618 PolarHBondContact O-N 3.27Å; C618-E620 VanDerWaalsContact C-N 3.3Å; C618-E620 PolarHBondContact O-N 3.01Å; C618-K621 PolarHBondContact O-N 3.06Å |
| 619 | A | 25.9 | Very low | 30.4 | Very low | 63 Ų | 63 | 118.9 Ų | 118.9 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.6 | -28.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R615 F616 T622 | R615-A619 PolarHBondContact O-N 2.89Å; F616-A619 PolarHBondContact O-N 3.22Å; F616-A619 VanDerWaalsContact O-N 3.09Å; A619-T622 PolarHBondContact O-OG1 3.1Å |
| 620 | E | 26.5 | Very low | 30 | Very low | 158 Ų | 158 | 120.6 Ų | 120.6 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -20.4 | 172.9 | -84.7 | -168 | 141.5 | 0 | 0 | 114.8 | F616 C618 T622 S623 | F616-E620 PolarHBondContact O-N 3.13Å; C618-E620 VanDerWaalsContact C-N 3.3Å; C618-E620 PolarHBondContact O-N 3.01Å; E620-T622 PolarHBondContact O-N 3.48Å; E620-S623 PolarHBondContact O-N 2.94Å |
| 621 | K | 26.6 | Very low | 29.6 | Very low | 190 Ų | 190 | 125.7 Ų | 125.7 | 83% | 0.826 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -10.2 | 177 | -84.4 | -168.4 | 175.8 | -175.2 | 0 | 113.7 | C618 S623 | C618-K621 PolarHBondContact O-N 3.06Å; K621-S623 PolarHBondContact O-N 3.41Å |
| 622 | T | 25.5 | Very low | 29 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 69% | 0.693 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -81.1 | 54.9 | 161.9 | 23.9 | 0 | 0 | 0 | 0 | 110.4 | A619 E620 I624 | A619-T622 PolarHBondContact O-OG1 3.1Å; E620-T622 PolarHBondContact O-N 3.48Å; T622-I624 PolarHBondContact O-N 3.37Å |
| 623 | S | 25.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | trans | -72.6 | 96.9 | 168.1 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | E620 K621 R625 | E620-S623 PolarHBondContact O-N 2.94Å; K621-S623 PolarHBondContact O-N 3.41Å; S623-R625 PolarHBondContact O-N 3.23Å; S623-R625 VanDerWaalsContact O-N 3.1Å | ||
| 624 | I | 25.1 | Very low | 28.5 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 14.3 | 88.2 | 139.5 | -51.3 | 173.6 | 0 | 0 | 0 | 112.4 | T622 T626 | T622-I624 PolarHBondContact O-N 3.37Å; I624-T626 VanDerWaalsContact C-N 3.3Å; I624-T626 HydrophobicContact CG2-CG2 4.21Å; I624-T626 PolarHBondContact O-N 3.08Å | ||
| 625 | R | 23.3 | Very low | 28.2 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -65.9 | 97.9 | 155.9 | -89.3 | -178.8 | 172.2 | 172.9 | -2.4 | 106.9 | S623 T627 | S623-R625 PolarHBondContact O-N 3.23Å; S623-R625 VanDerWaalsContact O-N 3.1Å; R625-T627 VanDerWaalsContact C-N 3.3Å; R625-T627 PolarHBondContact O-N 2.99Å | ||
| 626 | T | 23.7 | Very low | 27.8 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | -58.4 | 93.3 | 163.9 | 35.9 | 0 | 0 | 0 | 0 | 108.5 | I624 T628 | I624-T626 VanDerWaalsContact C-N 3.3Å; I624-T626 HydrophobicContact CG2-CG2 4.21Å; I624-T626 PolarHBondContact O-N 3.08Å; T626-T628 PolarHBondContact O-N 3.21Å | ||
| 627 | T | 25.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | -84.8 | 105.1 | 166.7 | 32.8 | 0 | 0 | 0 | 0 | 107 | R625 N629 | R625-T627 VanDerWaalsContact C-N 3.3Å; R625-T627 PolarHBondContact O-N 2.99Å; T627-N629 VanDerWaalsContact C-N 3.31Å; T627-N629 PolarHBondContact O-N 2.8Å | ||
| 628 | T | 25.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 89.3 | 169.6 | 46.5 | 0 | 0 | 0 | 0 | 108.8 | T626 S630 | T626-T628 PolarHBondContact O-N 3.21Å; T628-S630 PolarHBondContact O-N 2.96Å | ||
| 629 | N | 29.3 | Very low | 27.5 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -84.2 | 103.6 | 170.2 | -84 | -12.6 | 0 | 0 | 0 | 109.1 | T627 | T627-N629 VanDerWaalsContact C-N 3.31Å; T627-N629 PolarHBondContact O-N 2.8Å | ||
| 630 | S | 28.7 | Very low | 27.6 | Very low | 100 Ų | 100 | 151 Ų | 151 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -58 | 154 | 168.6 | 39.5 | 0 | 0 | 0 | 0 | 112.3 | T628 | T628-S630 PolarHBondContact O-N 2.96Š| ||
| 631 | P | 32.9 | Very low | 27.7 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -75.3 | 131.2 | -174.1 | 28 | -27.9 | 0 | 0 | 0 | 111.2 | V633 | P631-V633 PolarHBondContact O-N 3.1Š| ||
| 632 | L | 29.9 | Very low | 27.8 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | -63.7 | 114.4 | 175.8 | -77.7 | 154.9 | 0 | 0 | 0 | 110.1 | ||||
| 633 | V | 28.4 | Very low | 27.9 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -77.5 | 132.5 | 167.4 | 177 | 0 | 0 | 0 | 0 | 108.2 | P631 | P631-V633 PolarHBondContact O-N 3.1Š| ||
| 634 | P | 34.1 | Very low | 28.2 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -73 | 140.1 | -176.9 | 27.3 | -30.9 | 0 | 0 | 0 | 112.1 | ||||
| 635 | R | 31.1 | Very low | 28.4 | Very low | 324 Ų | 324 | 156.2 Ų | 156.2 | 100% | 1.223 | 83% | 0.828 | S | S | * | * | trans | -118.3 | 0 | 154.2 | -100.7 | -168.3 | -179.9 | -171.9 | 0.8 | 108.7 |
Retrieved 635 of 635 residues in 608.9 ms
(Link to these results)