| 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 | 36.2 | Very low | 80.6 | Confident | 231 Ų | 231 | 82.2 Ų | 82.2 | 100% | 1.138 | 45% | 0.447 | S | S | * | . | 0 | 6.9 | 0 | -64.5 | -167.3 | -178.2 | 0 | 0 | 113.9 | |||||
| 2 | T | 48.7 | Very low | 82 | Confident | 116 Ų | 116 | 79.1 Ų | 79.1 | 71% | 0.712 | 43% | 0.426 | S | S | * | . | trans | -85.9 | -10.7 | -171.3 | 44.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | S | 62.4 | Low | 83.1 | Confident | 81 Ų | 81 | 73 Ų | 73 | 57% | 0.566 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -73.5 | -29.1 | -173.3 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | N5 M6 | S3-N5 VanDerWaalsContact C-N 3.28Å; S3-N5 PolarHBondContact O-N 2.97Å; S3-M6 PolarHBondContact O-N 3.11Å |
| 4 | N | 77.3 | Confident | 84.1 | Confident | 124 Ų | 124 | 68.3 Ų | 68.3 | 66% | 0.663 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -24.6 | -170.7 | -71.1 | 3.7 | 0 | 0 | 0 | 113.5 | ||
| 5 | N | 90.2 | Very high | 84.9 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 6.1 | -177.5 | -74.5 | -1.8 | 0 | 0 | 0 | 113.4 | S3 Y7 Y333 I334 N336 | S3-N5 VanDerWaalsContact C-N 3.28Å; S3-N5 PolarHBondContact O-N 2.97Å; N5-Y7 WeakPolarHBondContact O-CD2 3.44Å; N5-Y7 WeakPolarHBondContact O-CE2 3.19Å; N5-Y333 HydrophobicContact CB-CD2 3.99Å; N5-Y333 HydrophobicContact CB-CE2 3.46Å; N5-Y333 VanDerWaalsContact CB-CE2 3.46Å; N5-Y333 WeakPolarHBondContact O-CA 3.28Å; N5-I334 VanDerWaalsContact CB-O 3.31Å; N5-I334 WeakPolarHBondContact CB-O 2.99Å; N5-I334 PolarHBondContact O-N 2.73Å; N5-N336 PolarHBondContact ND2-OD1 3.06Å; N5-N336 PolarHBondContact OD1-OD1 3.28Å |
| 6 | M | 94.3 | Very high | 85.5 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 21% | 0.212 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.4 | 174.9 | -75.2 | -61.4 | -43 | 0 | 0 | 109.8 | S3 K104 Q331 Y333 | S3-M6 PolarHBondContact O-N 3.11Å; M6-K104 WeakPolarHBondContact O-CE 3.45Å; M6-K104 PolarHBondContact O-NZ 2.85Å; M6-Q331 HydrophobicContact CE-CB 3.85Å; M6-Q331 HydrophobicContact CE-CG 3.73Å; M6-Y333 HydrophobicContact CG-CD2 4.2Å; M6-Y333 VanDerWaalsContact SD-CB 3.58Å; M6-Y333 HydrophobicContact SD-CD2 3.67Å; M6-Y333 HydrophobicContact SD-CG 4.11Å |
| 7 | Y | 95.7 | Very high | 85.9 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.035 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.8 | -179.8 | -60.1 | -87 | 0 | 0 | 0 | 110.2 | N5 V13 I101 G103 K104 Q331 V332 I334 | N5-Y7 WeakPolarHBondContact O-CD2 3.44Å; N5-Y7 WeakPolarHBondContact O-CE2 3.19Å; Y7-V13 HydrophobicContact CD1-CG1 3.57Å; Y7-V13 HydrophobicContact CE1-CG1 3.97Å; Y7-I101 HydrophobicContact CD1-CG2 3.63Å; Y7-I101 HydrophobicContact CD2-CG2 4.23Å; Y7-I101 HydrophobicContact CE1-CG2 3.29Å; Y7-I101 HydrophobicContact CE2-CG2 3.96Å; Y7-I101 HydrophobicContact CG-CG2 4.06Å; Y7-I101 VanDerWaalsContact CZ-CG2 3.46Å; Y7-G103 WeakPolarHBondContact OH-CA 3.49Å; Y7-G103 PolarHBondContact OH-N 3.1Å; Y7-K104 HydrophobicContact CD1-CD 4.48Å; Y7-K104 HydrophobicContact CD1-CG 3.9Å; Y7-K104 HydrophobicContact CE1-CG 3.66Å; Y7-Q331 CarbonylContact O-C 3.39Å; Y7-Q331 WeakPolarHBondContact O-CA 3.38Å; Y7-Q331 WeakPolarHBondContact O-CB 3.47Å; Y7-V332 PolarHBondContact N-O 2.75Å; Y7-V332 PolarHBondContact O-N 3.28Å; Y7-I334 HydrophobicContact CD2-CB 4.07Å; Y7-I334 HydrophobicContact CD2-CD1 3.64Å; Y7-I334 HydrophobicContact CD2-CG1 4Å; Y7-I334 HydrophobicContact CE2-CB 3.91Å; Y7-I334 HydrophobicContact CE2-CD1 4.05Å; Y7-I334 HydrophobicContact CE2-CG1 4.33Å; Y7-I334 HydrophobicContact CG-CD1 4.32Å |
| 8 | R | 95 | Very high | 86.1 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155.8 | -174.8 | -58.9 | -171.5 | 172.6 | -166 | -0.7 | 111.4 | G10 D11 K330 Q331 | R8-G10 PolarHBondContact O-N 3.11Å; R8-D11 PolarHBondContact N-OD2 2.64Å; R8-D11 VanDerWaalsContact O-CB 3.29Å; R8-D11 WeakPolarHBondContact O-CB 3.38Å; R8-D11 PolarHBondContact O-N 2.78Å; R8-K330 WeakPolarHBondContact CA-O 3.47Å; R8-Q331 HydrophobicContact CG-CB 3.96Å |
| 9 | V | 94.6 | Very high | 86.2 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 38% | 0.376 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 130.1 | 165.8 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | I28 E29 L31 L329 K330 | V9-I28 HydrophobicContact CG2-CG2 4.34Å; V9-E29 WeakPolarHBondContact CG1-O 3.38Å; V9-L31 HydrophobicContact CG2-CB 4.49Å; V9-L31 HydrophobicContact CG2-CD1 4.07Å; V9-L31 HydrophobicContact CG2-CG 4.04Å; V9-L329 WeakPolarHBondContact CG2-O 3.42Å; V9-K330 PolarHBondContact N-O 3.19Å |
| 10 | G | 95 | Very high | 86.2 | Confident | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -16.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R8 I28 | R8-G10 PolarHBondContact O-N 3.11Å; G10-I28 WeakPolarHBondContact CA-O 3.45Å; G10-I28 PolarHBondContact N-O 3.42Å |
| 11 | D | 96.8 | Very high | 86.5 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | trans | -69.2 | 138.9 | 178.1 | -72.3 | -12 | 0 | 0 | 0 | 110.8 | R8 V13 I28 K104 | R8-D11 PolarHBondContact N-OD2 2.64Å; R8-D11 VanDerWaalsContact O-CB 3.29Å; R8-D11 WeakPolarHBondContact O-CB 3.38Å; R8-D11 PolarHBondContact O-N 2.78Å; D11-V13 HydrophobicContact CB-CG1 4.15Å; D11-I28 HydrophobicContact CB-CD1 4.48Å; D11-I28 PolarHBondContact O-N 2.77Å; D11-K104 VanDerWaalsContact OD2-CE 3.31Å; D11-K104 WeakPolarHBondContact OD2-CE 3.24Å; D11-K104 IonicContact OD2-NZ 3.73Å; D11-K104 PolarHBondContact OD2-NZ 2.98Å | ||
| 12 | F | 97.8 | Very high | 89.3 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 20% | 0.197 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.6 | 165.1 | -60.2 | -88.4 | 0 | 0 | 0 | 109.4 | R26 K27 F46 K104 C105 V107 | F12-R26 WeakPolarHBondContact CA-O 3.13Å; F12-K27 HydrophobicContact CD1-CB 3.63Å; F12-K27 HydrophobicContact CD1-CG 3.94Å; F12-K27 HydrophobicContact CE1-CB 3.63Å; F12-K27 HydrophobicContact CE1-CD 3.84Å; F12-K27 HydrophobicContact CE1-CG 3.73Å; F12-K27 HydrophobicContact CG-CB 4.48Å; F12-K27 HydrophobicContact CG-CG 4.49Å; F12-K27 HydrophobicContact CZ-CB 4.5Å; F12-K27 HydrophobicContact CZ-CD 3.96Å; F12-K27 HydrophobicContact CZ-CG 4.12Å; F12-F46 AromaticContact CD1-CE2 3.99Å; F12-F46 HydrophobicContact CD1-CE2 3.99Å; F12-F46 HydrophobicContact CD1-CZ 4.31Å; F12-F46 AromaticContact CE1-CE2 3.78Å; F12-F46 HydrophobicContact CE1-CE2 3.78Å; F12-F46 AromaticContact CE1-CZ 3.72Å; F12-F46 HydrophobicContact CE1-CZ 3.72Å; F12-K104 WeakPolarHBondContact O-CA 3.44Å; F12-C105 WeakPolarHBondContact CB-O 3.37Å; F12-C105 PolarHBondContact O-N 3.42Å; F12-C105 VanDerWaalsContact O-O 3.13Å; F12-V107 HydrophobicContact CB-CG2 3.96Å; F12-V107 HydrophobicContact CD1-CB 3.54Å; F12-V107 HydrophobicContact CD1-CG1 4.49Å; F12-V107 HydrophobicContact CD1-CG2 3.53Å; F12-V107 HydrophobicContact CD2-CB 4.24Å; F12-V107 HydrophobicContact CE1-CB 3.64Å; F12-V107 HydrophobicContact CE1-CG1 4.27Å; F12-V107 HydrophobicContact CE1-CG2 4.13Å; F12-V107 HydrophobicContact CE2-CB 4.32Å; F12-V107 WeakPolarHBondContact CE2-O 3.48Å; F12-V107 HydrophobicContact CG-CB 3.86Å; F12-V107 HydrophobicContact CG-CG2 3.79Å; F12-V107 HydrophobicContact CZ-CB 4.03Å |
| 13 | V | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 152.3 | -168.1 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | Y7 D11 F15 R26 I28 I101 G103 K104 | Y7-V13 HydrophobicContact CD1-CG1 3.57Å; Y7-V13 HydrophobicContact CE1-CG1 3.97Å; D11-V13 HydrophobicContact CB-CG1 4.15Å; V13-F15 HydrophobicContact CG2-CD2 3.74Å; V13-F15 HydrophobicContact CG2-CE2 3.53Å; V13-R26 PolarHBondContact N-O 2.79Å; V13-R26 PolarHBondContact O-N 3.35Å; V13-I28 HydrophobicContact CG1-CD1 4.01Å; V13-I28 HydrophobicContact CG1-CG1 4.45Å; V13-I28 HydrophobicContact CG2-CD1 4.13Å; V13-I28 HydrophobicContact CG2-CG1 3.84Å; V13-I101 HydrophobicContact CB-CG2 3.91Å; V13-I101 HydrophobicContact CG1-CG2 4.02Å; V13-I101 HydrophobicContact CG2-CD1 4.4Å; V13-I101 HydrophobicContact CG2-CG1 4.17Å; V13-I101 HydrophobicContact CG2-CG2 4.42Å; V13-G103 CarbonylContact C-O 3.08Å; V13-G103 VanDerWaalsContact CA-O 3.23Å; V13-G103 WeakPolarHBondContact CA-O 3.08Å; V13-G103 WeakPolarHBondContact CB-O 3.42Å; V13-K104 HydrophobicContact CG1-CG 4.45Å |
| 14 | Y | 97.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.9 | 168.6 | -65.7 | -62.1 | 0 | 0 | 0 | 110.1 | Y23 H24 I25 I101 R102 G103 C105 D124 F126 R392 | Y14-Y23 HydrophobicContact CD1-CD2 4.21Å; Y14-Y23 HydrophobicContact CD1-CG 4.42Å; Y14-Y23 HydrophobicContact CG-CD2 4.08Å; Y14-Y23 HydrophobicContact CG-CG 4.4Å; Y14-H24 CarbonylContact C-O 3.58Å; Y14-H24 WeakPolarHBondContact CA-O 3.42Å; Y14-I25 HydrophobicContact CD1-CG1 3.91Å; Y14-I25 HydrophobicContact CE1-CD1 4.11Å; Y14-I25 HydrophobicContact CE1-CG1 3.89Å; Y14-I101 CarbonylContact O-C 3.57Å; Y14-I101 WeakPolarHBondContact O-CA 3.43Å; Y14-R102 PolarHBondContact O-N 2.72Å; Y14-G103 PolarHBondContact N-O 2.79Å; Y14-C105 HydrophobicContact CD2-CB 4.41Å; Y14-C105 HydrophobicContact CE1-CB 4.18Å; Y14-C105 HydrophobicContact CE2-CB 3.83Å; Y14-D124 HydrophobicContact CE2-CB 4.36Å; Y14-D124 WeakPolarHBondContact CE2-OD1 3.17Å; Y14-D124 PolarHBondContact OH-OD1 2.87Å; Y14-F126 AromaticContact CE1-CE2 3.99Å; Y14-F126 HydrophobicContact CE1-CE2 3.99Å; Y14-F126 HydrophobicContact CE1-CZ 4.04Å; Y14-F126 AromaticContact CZ-CE2 3.93Å; Y14-F126 VanDerWaalsContact OH-CE2 3.24Å; Y14-F126 WeakPolarHBondContact OH-CE2 3.48Å; Y14-F126 WeakPolarHBondContact OH-CZ 3.39Å; Y14-R392 HydrophobicContact CE1-CB 4.3Å; Y14-R392 HydrophobicContact CE1-CG 4.36Å; Y14-R392 HydrophobicContact CE2-CG 4.09Å |
| 15 | F | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.3 | 171.8 | -96.2 | -99.3 | 0 | 0 | 0 | 110.5 | V13 Y23 H24 R26 A41 V43 L96 H100 I101 | V13-F15 HydrophobicContact CG2-CD2 3.74Å; V13-F15 HydrophobicContact CG2-CE2 3.53Å; F15-Y23 CarbonylContact O-C 3.53Å; F15-Y23 WeakPolarHBondContact O-CA 3.46Å; F15-H24 HydrophobicContact CB-CB 4.44Å; F15-H24 PolarHBondContact N-O 3.25Å; F15-H24 PolarHBondContact O-N 2.79Å; F15-R26 HydrophobicContact CB-CG 4.14Å; F15-R26 HydrophobicContact CD2-CB 3.78Å; F15-R26 HydrophobicContact CD2-CG 3.72Å; F15-R26 HydrophobicContact CE2-CB 4.15Å; F15-R26 HydrophobicContact CE2-CG 4.42Å; F15-R26 HydrophobicContact CG-CG 4.09Å; F15-A41 HydrophobicContact CZ-CB 4.12Å; F15-V43 HydrophobicContact CE2-CG1 3.85Å; F15-V43 HydrophobicContact CZ-CG1 3.9Å; F15-L96 HydrophobicContact CD1-CB 4.3Å; F15-L96 HydrophobicContact CD1-CD1 3.89Å; F15-L96 HydrophobicContact CE1-CB 3.76Å; F15-L96 HydrophobicContact CE1-CD1 4.11Å; F15-H100 HydrophobicContact CD1-CB 3.53Å; F15-H100 HydrophobicContact CE1-CB 3.81Å; F15-I101 HydrophobicContact CD2-CG1 4.02Å; F15-I101 HydrophobicContact CE1-CG1 4.02Å; F15-I101 HydrophobicContact CE2-CD1 4.01Å; F15-I101 HydrophobicContact CE2-CG1 3.41Å; F15-I101 VanDerWaalsContact CE2-CG1 3.41Å; F15-I101 HydrophobicContact CZ-CD1 3.89Å; F15-I101 HydrophobicContact CZ-CG1 3.4Å; F15-I101 VanDerWaalsContact CZ-CG1 3.4Å |
| 16 | E | 94.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | trans | -94.4 | 110.5 | 168.3 | -172.9 | 164.5 | -122.7 | 0 | 0 | 110.5 | Y23 H100 R102 K391 | E16-Y23 HydrophobicContact CB-CD1 3.91Å; E16-Y23 HydrophobicContact CB-CE1 3.85Å; E16-Y23 HydrophobicContact CG-CD1 4.37Å; E16-Y23 HydrophobicContact CG-CE1 4.16Å; E16-H100 PolarHBondContact N-O 2.83Å; E16-R102 HydrophobicContact CB-CG 3.87Å; E16-R102 IonicContact OE2-CZ 2.84Å; E16-R102 IonicContact OE2-NE 2.83Å; E16-R102 IonicContact OE2-NH1 3.83Å; E16-R102 PolarHBondContact OE2-NH1 3.21Å; E16-R102 IonicContact OE2-NH2 3.94Å; E16-R102 PolarHBondContact OE2-NH2 3.02Å; E16-K391 IonicContact OE1-NZ 3.14Å; E16-K391 PolarHBondContact OE1-NZ 3.02Å | ||
| 17 | V | 91.3 | Very high | 94.6 | Very high | 83 Ų | 83 | 38.1 Ų | 38.1 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -93.9 | -40.3 | 173.3 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | H24 | V17-H24 VanDerWaalsContact CG2-CD2 3.48Å; V17-H24 WeakPolarHBondContact CG2-CD2 3.32Å |
| 18 | A | 90.7 | Very high | 94.7 | Very high | 47 Ų | 47 | 37.7 Ų | 37.7 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | trans | -137 | 146.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A20 S21 K391 | A18-A20 VanDerWaalsContact C-N 3.31Å; A18-A20 PolarHBondContact O-N 3.22Å; A18-S21 PolarHBondContact O-N 3.36Å; A18-S21 PolarHBondContact O-OG 3.49Å; A18-S21 VanDerWaalsContact O-OG 3.1Å; A18-K391 PolarHBondContact O-NZ 3.37Å | ||
| 19 | A | 87.1 | Confident | 94.7 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -39.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S21 P342 K391 | A19-S21 VanDerWaalsContact C-N 3.34Å; A19-P342 HydrophobicContact CB-CG 3.96Å; A19-K391 PolarHBondContact O-NZ 3.16Å |
| 20 | A | 87.3 | Confident | 94.7 | Very high | 84 Ų | 84 | 34.8 Ų | 34.8 | 69% | 0.694 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 8.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A18 W390 | A18-A20 VanDerWaalsContact C-N 3.31Å; A18-A20 PolarHBondContact O-N 3.22Å; A20-W390 WeakPolarHBondContact O-CH2 3.33Å |
| 21 | S | 91.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -110.1 | 155.9 | 171.9 | 74.4 | 0 | 0 | 0 | 0 | 109.8 | A18 A19 K391 | A18-S21 PolarHBondContact O-N 3.36Å; A18-S21 PolarHBondContact O-OG 3.49Å; A18-S21 VanDerWaalsContact O-OG 3.1Å; A19-S21 VanDerWaalsContact C-N 3.34Å; S21-K391 WeakPolarHBondContact O-CE 3.41Å; S21-K391 PolarHBondContact O-NZ 3.43Å |
| 22 | P | 94.5 | Very high | 94.6 | Very high | 17 Ų | 17 | 34 Ų | 34 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -63 | 163.3 | 167.3 | 31.8 | -37.4 | 0 | 0 | 0 | 110.6 | ||
| 23 | Y | 96.3 | Very high | 94.3 | Very high | 42 Ų | 42 | 39 Ų | 39 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -65 | 140.9 | 174.1 | -61.9 | -46.9 | 0 | 0 | 0 | 110.4 | Y14 F15 E16 R48 R102 K391 R392 | Y14-Y23 HydrophobicContact CD1-CD2 4.21Å; Y14-Y23 HydrophobicContact CD1-CG 4.42Å; Y14-Y23 HydrophobicContact CG-CD2 4.08Å; Y14-Y23 HydrophobicContact CG-CG 4.4Å; F15-Y23 CarbonylContact O-C 3.53Å; F15-Y23 WeakPolarHBondContact O-CA 3.46Å; E16-Y23 HydrophobicContact CB-CD1 3.91Å; E16-Y23 HydrophobicContact CB-CE1 3.85Å; E16-Y23 HydrophobicContact CG-CD1 4.37Å; E16-Y23 HydrophobicContact CG-CE1 4.16Å; Y23-R48 PolarHBondContact O-NH2 3.21Å; Y23-R102 HydrophobicContact CE1-CB 4.07Å; Y23-R102 HydrophobicContact CE1-CG 3.95Å; Y23-K391 WeakPolarHBondContact CB-O 3.2Å; Y23-K391 HydrophobicContact CD2-CB 3.96Å; Y23-K391 WeakPolarHBondContact CD2-O 3.46Å; Y23-K391 HydrophobicContact CE2-CB 3.73Å; Y23-K391 PolarHBondContact N-O 3.18Å; Y23-R392 HydrophobicContact CD2-CG 4.31Å; Y23-R392 HydrophobicContact CE2-CG 4.49Å |
| 24 | H | 96.9 | Very high | 94 | Very high | 45 Ų | 45 | 40.1 Ų | 40.1 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 144.1 | 165.9 | -67.4 | -68.5 | 0 | 0 | 0 | 109.4 | Y14 F15 V17 | Y14-H24 CarbonylContact C-O 3.58Å; Y14-H24 WeakPolarHBondContact CA-O 3.42Å; F15-H24 HydrophobicContact CB-CB 4.44Å; F15-H24 PolarHBondContact N-O 3.25Å; F15-H24 PolarHBondContact O-N 2.79Å; V17-H24 VanDerWaalsContact CG2-CD2 3.48Å; V17-H24 WeakPolarHBondContact CG2-CD2 3.32Å |
| 25 | I | 97.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.2 | 176.4 | -66.1 | 166.7 | 0 | 0 | 0 | 107.5 | Y14 F46 L87 V107 F126 | Y14-I25 HydrophobicContact CD1-CG1 3.91Å; Y14-I25 HydrophobicContact CE1-CD1 4.11Å; Y14-I25 HydrophobicContact CE1-CG1 3.89Å; I25-F46 HydrophobicContact CB-CB 4.26Å; I25-F46 HydrophobicContact CG2-CB 4.29Å; I25-F46 HydrophobicContact CG2-CD2 4.28Å; I25-F46 HydrophobicContact CG2-CG 4.41Å; I25-F46 WeakPolarHBondContact O-CB 3.39Å; I25-F46 PolarHBondContact O-N 3.37Å; I25-F46 VanDerWaalsContact O-N 3.12Å; I25-L87 HydrophobicContact CB-CD1 4.08Å; I25-L87 HydrophobicContact CD1-CD1 3.66Å; I25-L87 HydrophobicContact CD1-CD2 3.82Å; I25-L87 HydrophobicContact CD1-CG 4.33Å; I25-L87 HydrophobicContact CG1-CD1 4.48Å; I25-L87 HydrophobicContact CG2-CD1 3.75Å; I25-V107 HydrophobicContact CG2-CG2 3.72Å; I25-F126 HydrophobicContact CD1-CD1 3.73Å; I25-F126 HydrophobicContact CD1-CD2 3.82Å; I25-F126 HydrophobicContact CD1-CE1 3.5Å; I25-F126 HydrophobicContact CD1-CE2 3.6Å; I25-F126 HydrophobicContact CD1-CG 3.91Å; I25-F126 HydrophobicContact CD1-CZ 3.45Å; I25-F126 VanDerWaalsContact CD1-CZ 3.45Å |
| 26 | R | 97.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152 | -176.1 | -52.5 | -71.2 | -168.8 | 175.1 | 3.8 | 109.6 | F12 V13 F15 V43 V44 C45 E94 | F12-R26 WeakPolarHBondContact CA-O 3.13Å; V13-R26 PolarHBondContact N-O 2.79Å; V13-R26 PolarHBondContact O-N 3.35Å; F15-R26 HydrophobicContact CB-CG 4.14Å; F15-R26 HydrophobicContact CD2-CB 3.78Å; F15-R26 HydrophobicContact CD2-CG 3.72Å; F15-R26 HydrophobicContact CE2-CB 4.15Å; F15-R26 HydrophobicContact CE2-CG 4.42Å; F15-R26 HydrophobicContact CG-CG 4.09Å; R26-V43 HydrophobicContact CB-CB 3.89Å; R26-V43 HydrophobicContact CB-CG1 4.4Å; R26-V43 HydrophobicContact CB-CG2 3.93Å; R26-V43 HydrophobicContact CG-CG2 3.99Å; R26-V44 CarbonylContact C-O 3.59Å; R26-V44 WeakPolarHBondContact CA-O 3.36Å; R26-C45 PolarHBondContact NH1-SG 3.31Å; R26-E94 IonicContact CZ-OE1 3.07Å; R26-E94 IonicContact CZ-OE2 3.62Å; R26-E94 IonicContact NE-OE2 2.65Å; R26-E94 IonicContact NH1-OE1 3.22Å; R26-E94 PolarHBondContact NH1-OE1 3.22Å; R26-E94 IonicContact NH1-OE2 2.83Å; R26-E94 PolarHBondContact NH1-OE2 3.49Å; R26-E94 VanDerWaalsContact NH2-CD 3.33Å; R26-E94 IonicContact NH2-OE1 3.83Å; R26-E94 PolarHBondContact NH2-OE1 3.13Å; R26-E94 VanDerWaalsContact NH2-OE1 3.15Å; R26-E94 IonicContact NH2-OE2 3.46Å; R26-E94 PolarHBondContact NH2-OE2 2.95Å |
| 27 | K | 97.5 | Very high | 93.4 | Very high | 59 Ų | 59 | 53.9 Ų | 53.9 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129 | 170.1 | -176 | -165 | 170.5 | -140.7 | 0 | 109.1 | F12 E29 V43 V44 F46 | F12-K27 HydrophobicContact CD1-CB 3.63Å; F12-K27 HydrophobicContact CD1-CG 3.94Å; F12-K27 HydrophobicContact CE1-CB 3.63Å; F12-K27 HydrophobicContact CE1-CD 3.84Å; F12-K27 HydrophobicContact CE1-CG 3.73Å; F12-K27 HydrophobicContact CG-CB 4.48Å; F12-K27 HydrophobicContact CG-CG 4.49Å; F12-K27 HydrophobicContact CZ-CB 4.5Å; F12-K27 HydrophobicContact CZ-CD 3.96Å; F12-K27 HydrophobicContact CZ-CG 4.12Å; K27-E29 IonicContact NZ-OE2 3.89Å; K27-E29 PolarHBondContact NZ-OE2 3.44Å; K27-E29 PolarHBondContact O-N 2.89Å; K27-V43 CarbonylContact O-C 3.55Å; K27-V43 WeakPolarHBondContact O-CA 3.29Å; K27-V43 WeakPolarHBondContact O-CB 3.41Å; K27-V44 HydrophobicContact CB-CB 4.19Å; K27-V44 PolarHBondContact N-O 3.11Å; K27-V44 PolarHBondContact O-N 3Å; K27-F46 HydrophobicContact CB-CE2 4.1Å |
| 28 | I | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 113.3 | 176.3 | -56.5 | 176.1 | 0 | 0 | 0 | 108.4 | V9 G10 D11 V13 L31 I101 | V9-I28 HydrophobicContact CG2-CG2 4.34Å; G10-I28 WeakPolarHBondContact CA-O 3.45Å; G10-I28 PolarHBondContact N-O 3.42Å; D11-I28 HydrophobicContact CB-CD1 4.48Å; D11-I28 PolarHBondContact O-N 2.77Å; V13-I28 HydrophobicContact CG1-CD1 4.01Å; V13-I28 HydrophobicContact CG1-CG1 4.45Å; V13-I28 HydrophobicContact CG2-CD1 4.13Å; V13-I28 HydrophobicContact CG2-CG1 3.84Å; I28-L31 HydrophobicContact CG2-CD2 3.85Å; I28-L31 HydrophobicContact CG2-CG 3.87Å; I28-I101 HydrophobicContact CD1-CD1 3.82Å |
| 29 | E | 95.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 35% | 0.346 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -40.2 | 179.1 | -164.4 | 66.2 | -171.4 | 0 | 0 | 111.1 | V9 K27 K42 V44 | V9-E29 WeakPolarHBondContact CG1-O 3.38Å; K27-E29 IonicContact NZ-OE2 3.89Å; K27-E29 PolarHBondContact NZ-OE2 3.44Å; K27-E29 PolarHBondContact O-N 2.89Å; E29-K42 WeakPolarHBondContact CB-O 3.24Å; E29-K42 PolarHBondContact N-O 2.84Å; E29-V44 HydrophobicContact CB-CG2 4.24Å; E29-V44 HydrophobicContact CG-CG2 4.44Å |
| 30 | E | 94.2 | Very high | 94.2 | Very high | 68 Ų | 68 | 53.9 Ų | 53.9 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150.2 | 175.5 | -60.3 | 162.9 | -155.2 | 0 | 0 | 110.3 | A41 K42 | E30-A41 WeakPolarHBondContact O-CA 3.44Å; E30-K42 HydrophobicContact CB-CB 4.04Å; E30-K42 HydrophobicContact CB-CD 4.25Å; E30-K42 VanDerWaalsContact CD-NZ 3.29Å; E30-K42 HydrophobicContact CG-CD 4.25Å; E30-K42 PolarHBondContact N-O 2.91Å; E30-K42 VanDerWaalsContact N-O 3.12Å; E30-K42 PolarHBondContact O-N 2.85Å; E30-K42 IonicContact OE1-NZ 2.66Å; E30-K42 PolarHBondContact OE1-NZ 3.11Å; E30-K42 WeakPolarHBondContact OE2-CD 3.31Å; E30-K42 IonicContact OE2-NZ 2.93Å; E30-K42 PolarHBondContact OE2-NZ 3.47Å; E30-K42 VanDerWaalsContact OE2-NZ 3.11Å |
| 31 | L | 95.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.1 | 169.4 | -66.3 | 167.6 | 0 | 0 | 0 | 108.8 | V9 I28 V39 E40 A41 L329 V332 | V9-L31 HydrophobicContact CG2-CB 4.49Å; V9-L31 HydrophobicContact CG2-CD1 4.07Å; V9-L31 HydrophobicContact CG2-CG 4.04Å; I28-L31 HydrophobicContact CG2-CD2 3.85Å; I28-L31 HydrophobicContact CG2-CG 3.87Å; L31-V39 HydrophobicContact CB-CG1 4.36Å; L31-V39 HydrophobicContact CD2-CG1 4.15Å; L31-E40 WeakPolarHBondContact CA-O 3.48Å; L31-A41 HydrophobicContact CD2-CB 3.82Å; L31-L329 HydrophobicContact CB-CB 3.69Å; L31-V332 HydrophobicContact CD1-CB 4.19Å; L31-V332 HydrophobicContact CD1-CG1 3.94Å; L31-V332 HydrophobicContact CD2-CG1 4.04Å |
| 32 | N | 93.5 | Very high | 94.8 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.7 | -177 | -68 | -47.3 | 0 | 0 | 0 | 109.9 | V39 E40 | N32-V39 WeakPolarHBondContact O-CA 3.26Å; N32-E40 PolarHBondContact N-O 2.95Å; N32-E40 PolarHBondContact O-N 3.23Å |
| 33 | K | 92.6 | Very high | 95 | Very high | 149 Ų | 149 | 50.3 Ų | 50.3 | 65% | 0.648 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 118.9 | 172.6 | -165.6 | 176.4 | 176.5 | -178.8 | 0 | 108.6 | A38 L329 | K33-A38 WeakPolarHBondContact CA-O 3.29Å; K33-L329 HydrophobicContact CB-CD1 3.81Å |
| 34 | T | 91.3 | Very high | 95 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | trans | -70.2 | 159.1 | 173.8 | 64.5 | 0 | 0 | 0 | 0 | 110.2 | T36 G37 A38 E40 | T34-T36 PolarHBondContact O-N 2.92Å; T34-T36 VanDerWaalsContact O-N 3.12Å; T34-T36 PolarHBondContact OG1-OG1 2.86Å; T34-G37 PolarHBondContact O-N 3.17Å; T34-A38 PolarHBondContact N-O 3.31Å; T34-A38 WeakPolarHBondContact OG1-CB 3.46Å; T34-A38 PolarHBondContact OG1-N 3.43Å; T34-A38 VanDerWaalsContact OG1-N 3.14Å; T34-A38 PolarHBondContact OG1-O 2.94Å; T34-E40 HydrophobicContact CG2-CG 3.79Å | ||
| 35 | P | 90.8 | Very high | 95 | Very high | 147 Ų | 147 | 47 Ų | 47 | 96% | 0.955 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26 | 173.6 | -25.6 | 34.9 | 0 | 0 | 0 | 113.6 | G37 | P35-G37 PolarHBondContact O-N 2.83Š|
| 36 | T | 92.3 | Very high | 95 | Very high | 128 Ų | 128 | 47.3 Ų | 47.3 | 79% | 0.785 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6.1 | 175.4 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | T34 A38 | T34-T36 PolarHBondContact O-N 2.92Å; T34-T36 VanDerWaalsContact O-N 3.12Å; T34-T36 PolarHBondContact OG1-OG1 2.86Å; T36-A38 VanDerWaalsContact C-N 3.35Å |
| 37 | G | 90.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 87.2 | -2.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T34 P35 | T34-G37 PolarHBondContact O-N 3.17Å; P35-G37 PolarHBondContact O-N 2.83Å |
| 38 | A | 93.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | trans | -71.1 | 157.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K33 T34 T36 | K33-A38 WeakPolarHBondContact CA-O 3.29Å; T34-A38 PolarHBondContact N-O 3.31Å; T34-A38 WeakPolarHBondContact OG1-CB 3.46Å; T34-A38 PolarHBondContact OG1-N 3.43Å; T34-A38 VanDerWaalsContact OG1-N 3.14Å; T34-A38 PolarHBondContact OG1-O 2.94Å; T36-A38 VanDerWaalsContact C-N 3.35Å | ||
| 39 | V | 95.5 | Very high | 94.6 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.5 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | L31 N32 A98 L329 V332 | L31-V39 HydrophobicContact CB-CG1 4.36Å; L31-V39 HydrophobicContact CD2-CG1 4.15Å; N32-V39 WeakPolarHBondContact O-CA 3.26Å; V39-A98 HydrophobicContact CB-CB 4.16Å; V39-A98 HydrophobicContact CG1-CB 4.02Å; V39-A98 VanDerWaalsContact O-CB 3.24Å; V39-A98 WeakPolarHBondContact O-CB 3.44Å; V39-A98 PolarHBondContact O-N 3.15Å; V39-L329 HydrophobicContact CG1-CD1 4.22Å; V39-L329 HydrophobicContact CG2-CD1 4.32Å; V39-V332 HydrophobicContact CB-CG2 4.2Å; V39-V332 HydrophobicContact CG1-CB 4.39Å; V39-V332 HydrophobicContact CG1-CG2 4.1Å; V39-V332 HydrophobicContact CG2-CG2 4.17Å |
| 40 | E | 96 | Very high | 94.5 | Very high | 75 Ų | 75 | 50.4 Ų | 50.4 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 140 | 172.2 | -68.2 | 179.3 | 165.5 | 0 | 0 | 109.1 | L31 N32 T34 T95 L96 | L31-E40 WeakPolarHBondContact CA-O 3.48Å; N32-E40 PolarHBondContact N-O 2.95Å; N32-E40 PolarHBondContact O-N 3.23Å; T34-E40 HydrophobicContact CG2-CG 3.79Å; E40-T95 HydrophobicContact CB-CG2 3.77Å; E40-T95 HydrophobicContact CG-CG2 4.42Å; E40-L96 CarbonylContact C-O 3.57Å; E40-L96 WeakPolarHBondContact CA-O 3.46Å |
| 41 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | F15 E30 L31 V43 T95 L96 A98 | F15-A41 HydrophobicContact CZ-CB 4.12Å; E30-A41 WeakPolarHBondContact O-CA 3.44Å; L31-A41 HydrophobicContact CD2-CB 3.82Å; A41-V43 HydrophobicContact CB-CG1 3.78Å; A41-T95 WeakPolarHBondContact O-CA 3.22Å; A41-L96 PolarHBondContact N-O 3.36Å; A41-L96 PolarHBondContact O-N 3Å; A41-A98 HydrophobicContact CB-CB 4.46Å |
| 42 | K | 96.5 | Very high | 94.3 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.6 | 165.8 | -171.2 | -171.3 | -175 | -172 | 0 | 107.4 | E29 E30 E94 | E29-K42 WeakPolarHBondContact CB-O 3.24Å; E29-K42 PolarHBondContact N-O 2.84Å; E30-K42 HydrophobicContact CB-CB 4.04Å; E30-K42 HydrophobicContact CB-CD 4.25Å; E30-K42 VanDerWaalsContact CD-NZ 3.29Å; E30-K42 HydrophobicContact CG-CD 4.25Å; E30-K42 PolarHBondContact N-O 2.91Å; E30-K42 VanDerWaalsContact N-O 3.12Å; E30-K42 PolarHBondContact O-N 2.85Å; E30-K42 IonicContact OE1-NZ 2.66Å; E30-K42 PolarHBondContact OE1-NZ 3.11Å; E30-K42 WeakPolarHBondContact OE2-CD 3.31Å; E30-K42 IonicContact OE2-NZ 2.93Å; E30-K42 PolarHBondContact OE2-NZ 3.47Å; E30-K42 VanDerWaalsContact OE2-NZ 3.11Å; K42-E94 CarbonylContact C-O 3.58Å; K42-E94 WeakPolarHBondContact CA-O 3.34Å |
| 43 | V | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.7 | -166.2 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | F15 R26 K27 A41 L93 E94 L96 | F15-V43 HydrophobicContact CE2-CG1 3.85Å; F15-V43 HydrophobicContact CZ-CG1 3.9Å; R26-V43 HydrophobicContact CB-CB 3.89Å; R26-V43 HydrophobicContact CB-CG1 4.4Å; R26-V43 HydrophobicContact CB-CG2 3.93Å; R26-V43 HydrophobicContact CG-CG2 3.99Å; K27-V43 CarbonylContact O-C 3.55Å; K27-V43 WeakPolarHBondContact O-CA 3.29Å; K27-V43 WeakPolarHBondContact O-CB 3.41Å; A41-V43 HydrophobicContact CB-CG1 3.78Å; V43-L93 WeakPolarHBondContact O-CA 3.47Å; V43-E94 HydrophobicContact CG2-CB 4.27Å; V43-E94 WeakPolarHBondContact CG2-O 3.39Å; V43-E94 PolarHBondContact N-O 3.23Å; V43-E94 PolarHBondContact O-N 2.97Å; V43-L96 HydrophobicContact CG2-CD1 4.48Å |
| 44 | V | 96.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.3 | 167.8 | 179.8 | 0 | 0 | 0 | 0 | 109 | R26 K27 E29 F46 L89 S90 L93 | R26-V44 CarbonylContact C-O 3.59Å; R26-V44 WeakPolarHBondContact CA-O 3.36Å; K27-V44 HydrophobicContact CB-CB 4.19Å; K27-V44 PolarHBondContact N-O 3.11Å; K27-V44 PolarHBondContact O-N 3Å; E29-V44 HydrophobicContact CB-CG2 4.24Å; E29-V44 HydrophobicContact CG-CG2 4.44Å; V44-F46 HydrophobicContact CG1-CE2 4.45Å; V44-L89 HydrophobicContact CG1-CD1 3.41Å; V44-L89 VanDerWaalsContact CG1-CD1 3.41Å; V44-S90 WeakPolarHBondContact CG1-O 3.41Å; V44-L93 HydrophobicContact CB-CD2 4.29Å; V44-L93 HydrophobicContact CG2-CD2 3.5Å |
| 45 | C | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.7 | -166.8 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | R26 Y47 S90 H92 E94 | R26-C45 PolarHBondContact NH1-SG 3.31Å; C45-Y47 HydrophobicContact CB-CE2 4.07Å; C45-S90 PolarHBondContact O-N 3.49Å; C45-H92 PolarHBondContact SG-O 3.27Å; C45-E94 PolarHBondContact SG-OE1 3.09Å |
| 46 | F | 97.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.7 | 168.8 | -66.7 | -94.8 | 0 | 0 | 0 | 110.3 | F12 I25 K27 V44 L87 F88 L89 V107 F128 | F12-F46 AromaticContact CD1-CE2 3.99Å; F12-F46 HydrophobicContact CD1-CE2 3.99Å; F12-F46 HydrophobicContact CD1-CZ 4.31Å; F12-F46 AromaticContact CE1-CE2 3.78Å; F12-F46 HydrophobicContact CE1-CE2 3.78Å; F12-F46 AromaticContact CE1-CZ 3.72Å; F12-F46 HydrophobicContact CE1-CZ 3.72Å; I25-F46 HydrophobicContact CB-CB 4.26Å; I25-F46 HydrophobicContact CG2-CB 4.29Å; I25-F46 HydrophobicContact CG2-CD2 4.28Å; I25-F46 HydrophobicContact CG2-CG 4.41Å; I25-F46 WeakPolarHBondContact O-CB 3.39Å; I25-F46 PolarHBondContact O-N 3.37Å; I25-F46 VanDerWaalsContact O-N 3.12Å; K27-F46 HydrophobicContact CB-CE2 4.1Å; V44-F46 HydrophobicContact CG1-CE2 4.45Å; F46-L87 HydrophobicContact CB-CB 4.23Å; F46-L87 HydrophobicContact CB-CD1 4.08Å; F46-L87 HydrophobicContact CD1-CB 4.03Å; F46-L87 HydrophobicContact CD1-CD1 4.25Å; F46-L87 HydrophobicContact CG-CD1 4.28Å; F46-F88 WeakPolarHBondContact CA-O 3.48Å; F46-L89 HydrophobicContact CD1-CB 4.27Å; F46-L89 HydrophobicContact CE1-CB 3.87Å; F46-L89 HydrophobicContact CE1-CD1 3.82Å; F46-L89 HydrophobicContact CE1-CG 4.43Å; F46-L89 HydrophobicContact CE2-CD1 4.34Å; F46-L89 HydrophobicContact CZ-CD1 3.71Å; F46-V107 HydrophobicContact CD1-CG1 4.25Å; F46-V107 HydrophobicContact CE1-CG1 3.79Å; F46-V107 HydrophobicContact CZ-CG1 4.11Å; F46-F128 HydrophobicContact CE1-CB 4.48Å; F46-F128 AromaticContact CE1-CD1 3.81Å; F46-F128 HydrophobicContact CE1-CD1 3.81Å; F46-F128 HydrophobicContact CE1-CE1 4.16Å; F46-F128 HydrophobicContact CE1-CG 4.07Å |
| 47 | Y | 96.5 | Very high | 94.5 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 152.4 | 178.4 | -69.8 | -96 | 0 | 0 | 0 | 110 | C45 D51 L87 F88 S90 Y132 | C45-Y47 HydrophobicContact CB-CE2 4.07Å; Y47-D51 HydrophobicContact CD1-CB 3.81Å; Y47-L87 CarbonylContact O-C 3.58Å; Y47-L87 WeakPolarHBondContact O-CA 3.46Å; Y47-F88 PolarHBondContact N-O 2.79Å; Y47-F88 PolarHBondContact O-N 3.46Å; Y47-S90 VanDerWaalsContact CE2-CB 3.46Å; Y47-Y132 HydrophobicContact CD1-CD1 4.11Å; Y47-Y132 HydrophobicContact CD1-CE1 4.03Å; Y47-Y132 AromaticContact CD2-CD1 3.72Å; Y47-Y132 HydrophobicContact CD2-CD1 3.72Å; Y47-Y132 HydrophobicContact CD2-CE1 4.37Å; Y47-Y132 HydrophobicContact CE1-CD1 4.5Å; Y47-Y132 HydrophobicContact CE1-CE1 4.22Å; Y47-Y132 HydrophobicContact CE2-CD1 4.15Å; Y47-Y132 AromaticContact CG-CD1 3.69Å; Y47-Y132 HydrophobicContact CG-CD1 3.69Å; Y47-Y132 HydrophobicContact CG-CE1 4.09Å |
| 48 | R | 95.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 46 Ų | 46 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 165.8 | 175.7 | -64.9 | 178.7 | -179.9 | -169.9 | -5.4 | 110 | Y23 R50 D51 L87 R392 Y393 | Y23-R48 PolarHBondContact O-NH2 3.21Å; R48-R50 HydrophobicContact CB-CG 4.04Å; R48-R50 PolarHBondContact O-N 3.4Å; R48-R50 VanDerWaalsContact O-N 3.15Å; R48-D51 PolarHBondContact N-OD2 3.26Å; R48-D51 WeakPolarHBondContact O-CB 3.43Å; R48-D51 PolarHBondContact O-N 3.29Å; R48-L87 HydrophobicContact CG-CD2 3.86Å; R48-R392 PolarHBondContact NH2-O 3.07Å; R48-Y393 PolarHBondContact NH1-O 2.75Å |
| 49 | R | 93.2 | Very high | 94.3 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -53.5 | -35.9 | 175.7 | -152.9 | 162.7 | 177.5 | -105.5 | -0.7 | 112.8 | D51 L52 I57 D61 H83 F88 | R49-D51 VanDerWaalsContact C-N 3.28Å; R49-D51 PolarHBondContact O-N 3.24Å; R49-L52 WeakPolarHBondContact O-CB 3.44Å; R49-L52 PolarHBondContact O-N 3.34Å; R49-I57 HydrophobicContact CG-CD1 4.26Å; R49-I57 HydrophobicContact CG-CG1 3.98Å; R49-I57 HydrophobicContact CG-CG2 4.11Å; R49-I57 VanDerWaalsContact CZ-CG2 3.44Å; R49-I57 VanDerWaalsContact NH2-CG2 3.28Å; R49-I57 WeakPolarHBondContact O-CD1 3.47Å; R49-D61 IonicContact CZ-OD1 3.63Å; R49-D61 IonicContact NE-OD1 2.74Å; R49-D61 IonicContact NH2-OD1 3.59Å; R49-D61 PolarHBondContact NH2-OD1 2.7Å; R49-D61 IonicContact NH2-OD2 2.84Å; R49-D61 PolarHBondContact NH2-OD2 2.67Å; R49-H83 PolarHBondContact NH1-ND1 2.93Å; R49-F88 HydrophobicContact CB-CE2 4.32Å |
| 50 | R | 91.5 | Very high | 94 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -69.8 | -17.4 | 175.5 | 65.8 | 163 | 44 | 152.7 | 6.8 | 116 | R48 L52 G394 D395 | R48-R50 HydrophobicContact CB-CG 4.04Å; R48-R50 PolarHBondContact O-N 3.4Å; R48-R50 VanDerWaalsContact O-N 3.15Å; R50-L52 VanDerWaalsContact C-N 3.3Å; R50-G394 PolarHBondContact NH1-O 3.43Å; R50-G394 PolarHBondContact NH2-O 3.43Å; R50-D395 IonicContact NH2-OD2 3.92Å; R50-D395 PolarHBondContact NH2-OD2 2.95Å; R50-D395 VanDerWaalsContact NH2-OD2 3.14Å |
| 51 | D | 92.8 | Very high | 93.7 | Very high | 62 Ų | 62 | 44.4 Ų | 44.4 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -88.2 | -7.3 | 178.2 | -51.7 | -40.3 | 0 | 0 | 0 | 111.2 | Y47 R48 R49 | Y47-D51 HydrophobicContact CD1-CB 3.81Å; R48-D51 PolarHBondContact N-OD2 3.26Å; R48-D51 WeakPolarHBondContact O-CB 3.43Å; R48-D51 PolarHBondContact O-N 3.29Å; R49-D51 VanDerWaalsContact C-N 3.28Å; R49-D51 PolarHBondContact O-N 3.24Å |
| 52 | L | 93.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -94.6 | 157.9 | 179.9 | -60 | -177.5 | 0 | 0 | 0 | 111.9 | R49 R50 L56 I57 F88 Y132 L139 | R49-L52 WeakPolarHBondContact O-CB 3.44Å; R49-L52 PolarHBondContact O-N 3.34Å; R50-L52 VanDerWaalsContact C-N 3.3Å; L52-L56 HydrophobicContact CB-CB 4.28Å; L52-L56 HydrophobicContact CD2-CD1 4.39Å; L52-I57 HydrophobicContact CB-CG1 4.05Å; L52-F88 HydrophobicContact CD1-CD1 4.04Å; L52-F88 HydrophobicContact CD1-CD2 3.54Å; L52-F88 HydrophobicContact CD1-CE1 3.9Å; L52-F88 HydrophobicContact CD1-CE2 3.39Å; L52-F88 HydrophobicContact CD1-CG 3.88Å; L52-F88 HydrophobicContact CD1-CZ 3.58Å; L52-F88 HydrophobicContact CG-CD2 4.2Å; L52-F88 HydrophobicContact CG-CE2 4.35Å; L52-Y132 HydrophobicContact CD2-CD1 3.84Å; L52-Y132 HydrophobicContact CD2-CD2 3.5Å; L52-Y132 VanDerWaalsContact CD2-CD2 3.5Å; L52-Y132 HydrophobicContact CD2-CE1 3.91Å; L52-Y132 HydrophobicContact CD2-CE2 3.6Å; L52-Y132 HydrophobicContact CD2-CG 3.62Å; L52-L139 HydrophobicContact CD1-CD1 4.13Å; L52-L139 HydrophobicContact CD1-CD2 4.41Å |
| 53 | S | 93.7 | Very high | 92.5 | Very high | 45 Ų | 45 | 50.7 Ų | 50.7 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | trans | -74.8 | 153.4 | 170.8 | 68.2 | 0 | 0 | 0 | 0 | 111.2 | N55 L56 I57 | S53-N55 PolarHBondContact O-N 3.03Å; S53-N55 VanDerWaalsContact O-N 3.13Å; S53-L56 PolarHBondContact O-N 3.08Å; S53-L56 WeakPolarHBondContact OG-CG 3.46Å; S53-I57 PolarHBondContact O-N 3.42Å; S53-I57 VanDerWaalsContact O-N 3.09Å | ||
| 54 | P | 92 | Very high | 91.7 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 60% | 0.597 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -54.3 | -35.7 | 179.9 | -28.5 | 35.3 | 0 | 0 | 0 | 114.3 | L56 I57 Q58 | P54-L56 VanDerWaalsContact C-N 3.33Å; P54-L56 PolarHBondContact O-N 3.07Å; P54-I57 PolarHBondContact O-N 3.16Å; P54-Q58 WeakPolarHBondContact O-CG 3.03Å; P54-Q58 PolarHBondContact O-N 3.13Å; P54-Q58 VanDerWaalsContact O-N 3.08Å |
| 55 | N | 92.5 | Very high | 90.8 | Very high | 123 Ų | 123 | 58.4 Ų | 58.4 | 66% | 0.658 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.3 | -36.6 | 177.6 | -64.8 | -15.8 | 0 | 0 | 0 | 112.4 | S53 L59 | S53-N55 PolarHBondContact O-N 3.03Å; S53-N55 VanDerWaalsContact O-N 3.13Å; N55-L59 PolarHBondContact O-N 2.84Å |
| 56 | L | 93 | Very high | 89.4 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.5 | -33.6 | 177.5 | -68.4 | 178.6 | 0 | 0 | 0 | 111.5 | L52 S53 P54 L59 A60 Y132 L139 | L52-L56 HydrophobicContact CB-CB 4.28Å; L52-L56 HydrophobicContact CD2-CD1 4.39Å; S53-L56 PolarHBondContact O-N 3.08Å; S53-L56 WeakPolarHBondContact OG-CG 3.46Å; P54-L56 VanDerWaalsContact C-N 3.33Å; P54-L56 PolarHBondContact O-N 3.07Å; L56-L59 WeakPolarHBondContact O-CB 3.44Å; L56-L59 PolarHBondContact O-N 3.42Å; L56-A60 PolarHBondContact O-N 3.14Å; L56-Y132 HydrophobicContact CD1-CD2 4.16Å; L56-Y132 HydrophobicContact CD1-CE2 3.64Å; L56-L139 HydrophobicContact CB-CD1 3.8Å; L56-L139 HydrophobicContact CB-CG 4.29Å; L56-L139 HydrophobicContact CD2-CB 4.38Å; L56-L139 HydrophobicContact CD2-CD1 4.27Å; L56-L139 HydrophobicContact CD2-CG 4.09Å; L56-L139 VanDerWaalsContact O-CD1 3.29Å; L56-L139 WeakPolarHBondContact O-CD1 3.46Å |
| 57 | I | 92.6 | Very high | 87.8 | Confident | 37 Ų | 37 | 66 Ų | 66 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 172.8 | -64.1 | 173.3 | 0 | 0 | 0 | 110.2 | R49 L52 S53 P54 L59 A60 D61 | R49-I57 HydrophobicContact CG-CD1 4.26Å; R49-I57 HydrophobicContact CG-CG1 3.98Å; R49-I57 HydrophobicContact CG-CG2 4.11Å; R49-I57 VanDerWaalsContact CZ-CG2 3.44Å; R49-I57 VanDerWaalsContact NH2-CG2 3.28Å; R49-I57 WeakPolarHBondContact O-CD1 3.47Å; L52-I57 HydrophobicContact CB-CG1 4.05Å; S53-I57 PolarHBondContact O-N 3.42Å; S53-I57 VanDerWaalsContact O-N 3.09Å; P54-I57 PolarHBondContact O-N 3.16Å; I57-L59 PolarHBondContact O-N 2.91Å; I57-A60 WeakPolarHBondContact O-CB 3.09Å; I57-A60 PolarHBondContact O-N 3.25Å; I57-A60 VanDerWaalsContact O-N 3.13Å; I57-D61 VanDerWaalsContact O-CG 3.26Å; I57-D61 PolarHBondContact O-N 3.5Å |
| 58 | Q | 91.6 | Very high | 86.1 | Confident | 129 Ų | 129 | 66.7 Ų | 66.7 | 60% | 0.603 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.6 | -35.2 | 176 | -69.6 | 175.9 | 13.6 | 0 | 0 | 112.9 | P54 K62 | P54-Q58 WeakPolarHBondContact O-CG 3.03Å; P54-Q58 PolarHBondContact O-N 3.13Å; P54-Q58 VanDerWaalsContact O-N 3.08Å; Q58-K62 WeakPolarHBondContact O-CB 3.25Å; Q58-K62 PolarHBondContact O-N 2.96Å |
| 59 | L | 88.7 | Confident | 84.2 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 176.3 | -177.5 | 64.1 | 0 | 0 | 0 | 111.9 | N55 L56 I57 K62 H63 L139 | N55-L59 PolarHBondContact O-N 2.84Å; L56-L59 WeakPolarHBondContact O-CB 3.44Å; L56-L59 PolarHBondContact O-N 3.42Å; I57-L59 PolarHBondContact O-N 2.91Å; L59-K62 PolarHBondContact O-N 3.08Å; L59-H63 PolarHBondContact O-N 3.29Å; L59-H63 VanDerWaalsContact O-N 3.11Å; L59-L139 HydrophobicContact CD2-CB 4.21Å |
| 60 | A | 89.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L56 I57 K62 H63 Q64 F88 L130 L139 | L56-A60 PolarHBondContact O-N 3.14Å; I57-A60 WeakPolarHBondContact O-CB 3.09Å; I57-A60 PolarHBondContact O-N 3.25Å; I57-A60 VanDerWaalsContact O-N 3.13Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.32Å; A60-H63 WeakPolarHBondContact O-CB 3.41Å; A60-H63 PolarHBondContact O-N 3.42Å; A60-Q64 PolarHBondContact O-N 2.98Å; A60-F88 HydrophobicContact CB-CE1 3.98Å; A60-F88 HydrophobicContact CB-CZ 4.03Å; A60-L130 HydrophobicContact CB-CD1 4.33Å; A60-L139 HydrophobicContact CB-CD1 4.28Å |
| 61 | D | 89.5 | Confident | 80.4 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.5 | -63.2 | -7.2 | 0 | 0 | 0 | 112.2 | R49 I57 H63 Q64 K65 | R49-D61 IonicContact CZ-OD1 3.63Å; R49-D61 IonicContact NE-OD1 2.74Å; R49-D61 IonicContact NH2-OD1 3.59Å; R49-D61 PolarHBondContact NH2-OD1 2.7Å; R49-D61 IonicContact NH2-OD2 2.84Å; R49-D61 PolarHBondContact NH2-OD2 2.67Å; I57-D61 VanDerWaalsContact O-CG 3.26Å; I57-D61 PolarHBondContact O-N 3.5Å; D61-H63 VanDerWaalsContact C-N 3.34Å; D61-Q64 PolarHBondContact O-N 3.14Å; D61-K65 WeakPolarHBondContact O-CG 3.34Å; D61-K65 PolarHBondContact O-N 3.34Å; D61-K65 VanDerWaalsContact O-N 3.08Å |
| 62 | K | 86.2 | Confident | 78.6 | Confident | 124 Ų | 124 | 68.9 Ų | 68.9 | 54% | 0.539 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.9 | -176.2 | -177.7 | 174.3 | -170 | 0 | 111.2 | Q58 L59 A60 Q64 K65 E66 | Q58-K62 WeakPolarHBondContact O-CB 3.25Å; Q58-K62 PolarHBondContact O-N 2.96Å; L59-K62 PolarHBondContact O-N 3.08Å; A60-K62 VanDerWaalsContact C-N 3.29Å; A60-K62 PolarHBondContact O-N 3.32Å; K62-Q64 VanDerWaalsContact C-N 3.31Å; K62-Q64 PolarHBondContact O-N 3.46Å; K62-K65 PolarHBondContact O-N 3.13Å; K62-E66 WeakPolarHBondContact CE-OE1 3.47Å; K62-E66 IonicContact NZ-OE1 2.88Å; K62-E66 WeakPolarHBondContact O-CG 3.39Å; K62-E66 PolarHBondContact O-N 2.93Å |
| 63 | H | 82 | Confident | 76.7 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.1 | -35.3 | -179.9 | -156.6 | -77.1 | 0 | 0 | 0 | 112.2 | L59 A60 D61 L67 Q129 L130 | L59-H63 PolarHBondContact O-N 3.29Å; L59-H63 VanDerWaalsContact O-N 3.11Å; A60-H63 WeakPolarHBondContact O-CB 3.41Å; A60-H63 PolarHBondContact O-N 3.42Å; D61-H63 VanDerWaalsContact C-N 3.34Å; H63-L67 PolarHBondContact O-N 3.46Å; H63-Q129 PolarHBondContact CE1-NE2 3.38Å; H63-Q129 VanDerWaalsContact CE1-NE2 3.31Å; H63-Q129 PolarHBondContact ND1-NE2 3.49Å; H63-Q129 VanDerWaalsContact ND1-NE2 3.15Å; H63-L130 HydrophobicContact CB-CD1 4.39Å |
| 64 | Q | 80.4 | Confident | 75.3 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 174.8 | -173.8 | 169.4 | 11.9 | 0 | 0 | 112.1 | A60 D61 K62 L67 C70 Y116 | A60-Q64 PolarHBondContact O-N 2.98Å; D61-Q64 PolarHBondContact O-N 3.14Å; K62-Q64 VanDerWaalsContact C-N 3.31Å; K62-Q64 PolarHBondContact O-N 3.46Å; Q64-L67 PolarHBondContact O-N 3.41Å; Q64-C70 PolarHBondContact NE2-SG 2.95Å; Q64-Y116 HydrophobicContact CG-CE2 3.59Å; Q64-Y116 VanDerWaalsContact NE2-CE2 3.32Å |
| 65 | K | 77.8 | Confident | 74.4 | Confident | 171 Ų | 171 | 77 Ų | 77 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.9 | -40.6 | 175.4 | -72.4 | 177.4 | -178 | -175.1 | 0 | 112.7 | D61 K62 L67 G68 | D61-K65 WeakPolarHBondContact O-CG 3.34Å; D61-K65 PolarHBondContact O-N 3.34Å; D61-K65 VanDerWaalsContact O-N 3.08Å; K62-K65 PolarHBondContact O-N 3.13Å; K65-L67 PolarHBondContact O-N 2.96Å; K65-G68 PolarHBondContact O-N 3.11Å |
| 66 | E | 68.4 | Low | 73.8 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.3 | -25.3 | 178.3 | -75.4 | 177.7 | -177.9 | 0 | 0 | 112.9 | K62 | K62-E66 WeakPolarHBondContact CE-OE1 3.47Å; K62-E66 IonicContact NZ-OE1 2.88Å; K62-E66 WeakPolarHBondContact O-CG 3.39Å; K62-E66 PolarHBondContact O-N 2.93Å |
| 67 | L | 63.4 | Low | 73.3 | Confident | 31 Ų | 31 | 79.3 Ų | 79.3 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -16.6 | 179.9 | -147.6 | 63.2 | 0 | 0 | 0 | 114 | H63 Q64 K65 T69 E112 | H63-L67 PolarHBondContact O-N 3.46Å; Q64-L67 PolarHBondContact O-N 3.41Å; K65-L67 PolarHBondContact O-N 2.96Å; L67-T69 HydrophobicContact CD2-CG2 4.15Å; L67-T69 HydrophobicContact CG-CG2 4.18Å; L67-T69 PolarHBondContact O-N 3.08Å; L67-T69 VanDerWaalsContact O-N 3.09Å; L67-E112 HydrophobicContact CD1-CB 3.8Å; L67-E112 HydrophobicContact CD1-CG 3.41Å; L67-E112 VanDerWaalsContact CD1-CG 3.41Å; L67-E112 WeakPolarHBondContact CD1-OE1 3.45Å; L67-E112 HydrophobicContact CD2-CB 4.16Å; L67-E112 HydrophobicContact CD2-CG 4.12Å; L67-E112 HydrophobicContact CG-CB 4.01Å; L67-E112 HydrophobicContact CG-CG 4.08Å |
| 68 | G | 59.6 | Low | 73.1 | Confident | 57 Ų | 57 | 80.8 Ų | 80.8 | 59% | 0.588 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 8.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K65 | K65-G68 PolarHBondContact O-N 3.11Š|
| 69 | T | 55.5 | Low | 72.8 | Confident | 29 Ų | 29 | 77.1 Ų | 77.1 | 18% | 0.178 | 42% | 0.421 | C | S | . | . | trans | -84.4 | -16.2 | -177.5 | 42.3 | 0 | 0 | 0 | 0 | 113.7 | L67 E112 Y116 | L67-T69 HydrophobicContact CD2-CG2 4.15Å; L67-T69 HydrophobicContact CG-CG2 4.18Å; L67-T69 PolarHBondContact O-N 3.08Å; L67-T69 VanDerWaalsContact O-N 3.09Å; T69-E112 WeakPolarHBondContact CG2-O 3.38Å; T69-Y116 WeakPolarHBondContact OG1-CE2 3.32Å; T69-Y116 PolarHBondContact OG1-OH 3.28Å | ||
| 70 | C | 52.9 | Low | 72.9 | Confident | 27 Ų | 27 | 74.8 Ų | 74.8 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -93.4 | 99.7 | 159 | -89.2 | 0 | 0 | 0 | 0 | 107.3 | Q64 D72 | Q64-C70 PolarHBondContact NE2-SG 2.95Å; C70-D72 PolarHBondContact O-N 3.14Å |
| 71 | G | 52.5 | Low | 73 | Confident | 46 Ų | 46 | 77.2 Ų | 77.2 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | trans | -53.4 | 139.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | D73 T74 | G71-D73 PolarHBondContact O-N 3.35Å; G71-T74 PolarHBondContact O-N 3.26Å; G71-T74 PolarHBondContact O-OG1 3.19Å | ||
| 72 | D | 55.6 | Low | 73.1 | Confident | 175 Ų | 175 | 75.3 Ų | 75.3 | 94% | 0.936 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -16.7 | -179.7 | -85.9 | -35.1 | 0 | 0 | 0 | 113.1 | C70 | C70-D72 PolarHBondContact O-N 3.14Š|
| 73 | D | 53.2 | Low | 73.4 | Confident | 154 Ų | 154 | 70.8 Ų | 70.8 | 82% | 0.824 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.4 | 178.5 | -65.3 | -38.7 | 0 | 0 | 0 | 115.6 | G71 Q75 | G71-D73 PolarHBondContact O-N 3.35Å; D73-Q75 PolarHBondContact O-N 3.4Å; D73-Q75 VanDerWaalsContact O-N 3.11Å |
| 74 | T | 63.9 | Low | 74 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 28% | 0.282 | 38% | 0.379 | S | S | . | . | trans | -69.1 | 113.4 | 179.7 | -46.1 | 0 | 0 | 0 | 0 | 110 | G71 I78 I82 | G71-T74 PolarHBondContact O-N 3.26Å; G71-T74 PolarHBondContact O-OG1 3.19Å; T74-I78 HydrophobicContact CG2-CB 4.09Å; T74-I78 HydrophobicContact CG2-CG2 3.92Å; T74-I82 HydrophobicContact CG2-CD1 4.46Å | ||
| 75 | Q | 73.7 | Confident | 74.7 | Confident | 121 Ų | 121 | 68.6 Ų | 68.6 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | trans | -49.7 | 139.3 | 178.3 | -67.8 | -69.4 | -43.6 | 0 | 0 | 111.4 | D73 D77 I78 L79 | D73-Q75 PolarHBondContact O-N 3.4Å; D73-Q75 VanDerWaalsContact O-N 3.11Å; Q75-D77 PolarHBondContact O-N 3.24Å; Q75-D77 VanDerWaalsContact O-N 3.14Å; Q75-I78 HydrophobicContact CB-CD1 4.04Å; Q75-I78 HydrophobicContact CB-CG1 4.11Å; Q75-I78 HydrophobicContact CG-CD1 4.42Å; Q75-I78 WeakPolarHBondContact O-CB 3.4Å; Q75-I78 PolarHBondContact O-N 3.29Å; Q75-L79 PolarHBondContact O-N 3.13Å; Q75-L79 VanDerWaalsContact O-N 3.08Å | ||
| 76 | P | 80.4 | Confident | 75.5 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 59% | 0.591 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.8 | -34 | -174.5 | 22.2 | -33.3 | 0 | 0 | 0 | 112.9 | L79 H80 | P76-L79 PolarHBondContact O-N 3.36Å; P76-H80 WeakPolarHBondContact O-CB 3.38Å; P76-H80 PolarHBondContact O-N 3.15Å |
| 77 | D | 82.6 | Confident | 76.9 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.7 | -32.7 | 177.4 | -64.2 | -29.8 | 0 | 0 | 0 | 113.2 | Q75 Q81 | Q75-D77 PolarHBondContact O-N 3.24Å; Q75-D77 VanDerWaalsContact O-N 3.14Å; D77-Q81 WeakPolarHBondContact O-CG 3.17Å; D77-Q81 PolarHBondContact O-N 3.43Å; D77-Q81 PolarHBondContact O-NE2 3.22Å |
| 78 | I | 87.2 | Confident | 78.4 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 35% | 0.349 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.2 | -43.9 | 176.4 | -61.8 | 177 | 0 | 0 | 0 | 108.9 | T74 Q75 H80 Q81 I82 L120 | T74-I78 HydrophobicContact CG2-CB 4.09Å; T74-I78 HydrophobicContact CG2-CG2 3.92Å; Q75-I78 HydrophobicContact CB-CD1 4.04Å; Q75-I78 HydrophobicContact CB-CG1 4.11Å; Q75-I78 HydrophobicContact CG-CD1 4.42Å; Q75-I78 WeakPolarHBondContact O-CB 3.4Å; Q75-I78 PolarHBondContact O-N 3.29Å; I78-H80 VanDerWaalsContact C-N 3.33Å; I78-H80 PolarHBondContact O-N 3.26Å; I78-Q81 PolarHBondContact O-N 2.84Å; I78-I82 HydrophobicContact CG2-CD1 3.91Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CG1 3.43Å; I78-I82 PolarHBondContact O-N 2.96Å; I78-L120 HydrophobicContact CG2-CD1 3.83Å |
| 79 | L | 86.8 | Confident | 80.2 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.8 | -172.2 | 70.7 | 0 | 0 | 0 | 111.5 | Q75 P76 Q81 I82 H83 | Q75-L79 PolarHBondContact O-N 3.13Å; Q75-L79 VanDerWaalsContact O-N 3.08Å; P76-L79 PolarHBondContact O-N 3.36Å; L79-Q81 VanDerWaalsContact C-N 3.33Å; L79-Q81 PolarHBondContact O-N 3.08Å; L79-I82 WeakPolarHBondContact O-CB 3.49Å; L79-I82 PolarHBondContact O-N 3.24Å; L79-I82 VanDerWaalsContact O-N 3.13Å; L79-H83 PolarHBondContact O-N 3.37Å |
| 80 | H | 89.7 | Confident | 82 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.8 | -47.4 | 173.6 | -178.8 | 66 | 0 | 0 | 0 | 112 | P76 I78 I82 H83 H84 L396 K397 T399 | P76-H80 WeakPolarHBondContact O-CB 3.38Å; P76-H80 PolarHBondContact O-N 3.15Å; I78-H80 VanDerWaalsContact C-N 3.33Å; I78-H80 PolarHBondContact O-N 3.26Å; H80-I82 PolarHBondContact O-N 3.28Å; H80-H83 WeakPolarHBondContact O-CB 3.46Å; H80-H83 PolarHBondContact O-N 3.46Å; H80-H84 AromaticContact CD2-CE1 3.42Å; H80-H84 PolarHBondContact CD2-CE1 2.94Å; H80-H84 VanDerWaalsContact CD2-CE1 3.42Å; H80-H84 AromaticContact CD2-NE2 3.65Å; H80-H84 AromaticContact CE1-CE1 3.65Å; H80-H84 AromaticContact CE1-NE2 3.14Å; H80-H84 PolarHBondContact CE1-NE2 3.31Å; H80-H84 AromaticContact CG-NE2 3.91Å; H80-H84 AromaticContact ND1-NE2 3.65Å; H80-H84 AromaticContact NE2-CE1 3.13Å; H80-H84 PolarHBondContact NE2-CE1 2.82Å; H80-H84 AromaticContact NE2-NE2 3.16Å; H80-H84 PolarHBondContact NE2-NE2 3.09Å; H80-H84 VanDerWaalsContact NE2-NE2 3.16Å; H80-H84 PolarHBondContact O-CD2 3.05Å; H80-H84 VanDerWaalsContact O-CD2 3.24Å; H80-H84 PolarHBondContact O-N 2.84Å; H80-H84 PolarHBondContact O-NE2 3.32Å; H80-L396 PolarHBondContact NE2-O 3.35Å; H80-K397 PolarHBondContact CD2-O 2.98Å; H80-T399 PolarHBondContact CD2-OG1 3.47Å; H80-T399 VanDerWaalsContact CD2-OG1 3.26Å |
| 81 | Q | 91.1 | Very high | 83.7 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.2 | -32.6 | 177.3 | -71.1 | 179.1 | 72.7 | 0 | 0 | 113.4 | D77 I78 L79 H84 L120 | D77-Q81 WeakPolarHBondContact O-CG 3.17Å; D77-Q81 PolarHBondContact O-N 3.43Å; D77-Q81 PolarHBondContact O-NE2 3.22Å; I78-Q81 PolarHBondContact O-N 2.84Å; L79-Q81 VanDerWaalsContact C-N 3.33Å; L79-Q81 PolarHBondContact O-N 3.08Å; Q81-H84 WeakPolarHBondContact O-CB 3.46Å; Q81-H84 PolarHBondContact O-N 3.12Å; Q81-L120 HydrophobicContact CB-CD1 4.46Å; Q81-L120 HydrophobicContact CB-CD2 3.87Å |
| 82 | I | 91.8 | Very high | 85.4 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 173.1 | -70.8 | 164.9 | 0 | 0 | 0 | 110.1 | T74 I78 L79 H80 H84 R85 E86 Y116 L120 F127 | T74-I82 HydrophobicContact CG2-CD1 4.46Å; I78-I82 HydrophobicContact CG2-CD1 3.91Å; I78-I82 HydrophobicContact CG2-CG1 4.45Å; I78-I82 WeakPolarHBondContact O-CG1 3.43Å; I78-I82 PolarHBondContact O-N 2.96Å; L79-I82 WeakPolarHBondContact O-CB 3.49Å; L79-I82 PolarHBondContact O-N 3.24Å; L79-I82 VanDerWaalsContact O-N 3.13Å; H80-I82 PolarHBondContact O-N 3.28Å; I82-H84 PolarHBondContact O-N 3.38Å; I82-H84 VanDerWaalsContact O-N 3.15Å; I82-R85 WeakPolarHBondContact O-CA 3.5Å; I82-R85 WeakPolarHBondContact O-CB 3.29Å; I82-R85 PolarHBondContact O-N 2.88Å; I82-E86 PolarHBondContact O-N 3.35Å; I82-E86 VanDerWaalsContact O-N 3.15Å; I82-Y116 HydrophobicContact CG2-CD1 4.31Å; I82-Y116 HydrophobicContact CG2-CG 4.12Å; I82-L120 HydrophobicContact CG1-CD1 4.02Å; I82-L120 HydrophobicContact CG1-CD2 4.47Å; I82-L120 HydrophobicContact CG1-CG 4.28Å; I82-F127 HydrophobicContact CG2-CE1 4.03Å; I82-F127 HydrophobicContact CG2-CZ 3.92Å |
| 83 | H | 93 | Very high | 87.3 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.4 | -27 | 176.3 | -63 | 155.7 | 0 | 0 | 0 | 113 | R49 L79 H80 R85 | R49-H83 PolarHBondContact NH1-ND1 2.93Å; L79-H83 PolarHBondContact O-N 3.37Å; H80-H83 WeakPolarHBondContact O-CB 3.46Å; H80-H83 PolarHBondContact O-N 3.46Å; H83-R85 VanDerWaalsContact C-N 3.29Å |
| 84 | H | 94.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -20.5 | 174.1 | -56.5 | 165.6 | 0 | 0 | 0 | 113.6 | H80 Q81 I82 F126 Y389 D395 L396 | H80-H84 AromaticContact CD2-CE1 3.42Å; H80-H84 PolarHBondContact CD2-CE1 2.94Å; H80-H84 VanDerWaalsContact CD2-CE1 3.42Å; H80-H84 AromaticContact CD2-NE2 3.65Å; H80-H84 AromaticContact CE1-CE1 3.65Å; H80-H84 AromaticContact CE1-NE2 3.14Å; H80-H84 PolarHBondContact CE1-NE2 3.31Å; H80-H84 AromaticContact CG-NE2 3.91Å; H80-H84 AromaticContact ND1-NE2 3.65Å; H80-H84 AromaticContact NE2-CE1 3.13Å; H80-H84 PolarHBondContact NE2-CE1 2.82Å; H80-H84 AromaticContact NE2-NE2 3.16Å; H80-H84 PolarHBondContact NE2-NE2 3.09Å; H80-H84 VanDerWaalsContact NE2-NE2 3.16Å; H80-H84 PolarHBondContact O-CD2 3.05Å; H80-H84 VanDerWaalsContact O-CD2 3.24Å; H80-H84 PolarHBondContact O-N 2.84Å; H80-H84 PolarHBondContact O-NE2 3.32Å; Q81-H84 WeakPolarHBondContact O-CB 3.46Å; Q81-H84 PolarHBondContact O-N 3.12Å; I82-H84 PolarHBondContact O-N 3.38Å; I82-H84 VanDerWaalsContact O-N 3.15Å; H84-F126 WeakPolarHBondContact O-CE1 3.19Å; H84-Y389 AromaticContact ND1-CE1 3.87Å; H84-Y389 AromaticContact ND1-CZ 3.83Å; H84-Y389 PolarHBondContact ND1-OH 3.39Å; H84-D395 VanDerWaalsContact NE2-CB 3.29Å; H84-D395 WeakPolarHBondContact NE2-CB 3.49Å; H84-L396 PolarHBondContact CE1-O 3.35Å; H84-L396 VanDerWaalsContact CE1-O 3.25Å |
| 85 | R | 94.9 | Very high | 90.8 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -16.4 | 176.4 | -54.7 | -43.6 | -173.3 | 116.7 | -3.6 | 112.1 | I82 H83 L120 K122 T125 F126 F127 Y393 | I82-R85 WeakPolarHBondContact O-CA 3.5Å; I82-R85 WeakPolarHBondContact O-CB 3.29Å; I82-R85 PolarHBondContact O-N 2.88Å; H83-R85 VanDerWaalsContact C-N 3.29Å; R85-L120 HydrophobicContact CG-CD2 3.91Å; R85-K122 PolarHBondContact NH1-O 2.82Å; R85-T125 WeakPolarHBondContact CD-O 3.37Å; R85-T125 PolarHBondContact NH1-O 3.42Å; R85-F126 CarbonylContact O-C 3.49Å; R85-F126 VanDerWaalsContact O-CA 3.22Å; R85-F126 WeakPolarHBondContact O-CA 3.49Å; R85-F126 VanDerWaalsContact O-CB 3.3Å; R85-F126 WeakPolarHBondContact O-CB 3.42Å; R85-F127 HydrophobicContact CB-CD1 3.98Å; R85-F127 HydrophobicContact CB-CE1 3.87Å; R85-F127 PolarHBondContact O-N 3.09Å; R85-Y393 VanDerWaalsContact NH1-CE1 3.28Å; R85-Y393 PolarHBondContact NH1-OH 2.98Å; R85-Y393 PolarHBondContact NH2-OH 2.65Å |
| 86 | E | 95.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131 | 177 | -170.6 | -178.3 | -150.4 | 0 | 0 | 111.7 | I82 F88 F127 | I82-E86 PolarHBondContact O-N 3.35Å; I82-E86 VanDerWaalsContact O-N 3.15Å; E86-F88 HydrophobicContact CG-CE2 4.32Å; E86-F88 HydrophobicContact CG-CZ 4.08Å; E86-F127 CarbonylContact C-O 3.42Å; E86-F127 HydrophobicContact CB-CE1 4.24Å; E86-F127 HydrophobicContact CB-CE2 3.93Å; E86-F127 HydrophobicContact CB-CZ 3.66Å; E86-F127 HydrophobicContact CG-CE2 3.81Å; E86-F127 HydrophobicContact CG-CZ 4.06Å |
| 87 | L | 96.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 161.1 | 173.7 | -60.3 | 176.3 | 0 | 0 | 0 | 110.5 | I25 F46 Y47 R48 V107 F126 F127 F128 | I25-L87 HydrophobicContact CB-CD1 4.08Å; I25-L87 HydrophobicContact CD1-CD1 3.66Å; I25-L87 HydrophobicContact CD1-CD2 3.82Å; I25-L87 HydrophobicContact CD1-CG 4.33Å; I25-L87 HydrophobicContact CG1-CD1 4.48Å; I25-L87 HydrophobicContact CG2-CD1 3.75Å; F46-L87 HydrophobicContact CB-CB 4.23Å; F46-L87 HydrophobicContact CB-CD1 4.08Å; F46-L87 HydrophobicContact CD1-CB 4.03Å; F46-L87 HydrophobicContact CD1-CD1 4.25Å; F46-L87 HydrophobicContact CG-CD1 4.28Å; Y47-L87 CarbonylContact O-C 3.58Å; Y47-L87 WeakPolarHBondContact O-CA 3.46Å; R48-L87 HydrophobicContact CG-CD2 3.86Å; L87-V107 HydrophobicContact CD1-CG1 4.18Å; L87-V107 HydrophobicContact CD1-CG2 3.95Å; L87-F126 HydrophobicContact CD1-CB 3.49Å; L87-F126 VanDerWaalsContact CD1-CB 3.49Å; L87-F126 HydrophobicContact CD1-CD1 4Å; L87-F126 HydrophobicContact CD1-CG 3.77Å; L87-F126 HydrophobicContact CD2-CD1 4.2Å; L87-F126 HydrophobicContact CG-CB 3.95Å; L87-F126 HydrophobicContact CG-CD1 4.02Å; L87-F126 HydrophobicContact CG-CG 4.23Å; L87-F127 PolarHBondContact N-O 2.99Å; L87-F128 HydrophobicContact CB-CB 4.39Å; L87-F128 VanDerWaalsContact O-CA 3.24Å; L87-F128 WeakPolarHBondContact O-CA 3.22Å; L87-F128 WeakPolarHBondContact O-CB 3.29Å |
| 88 | F | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.3 | 176.2 | -56.9 | -86.5 | 0 | 0 | 0 | 108.9 | F46 Y47 R49 L52 A60 E86 L130 L139 | F46-F88 WeakPolarHBondContact CA-O 3.48Å; Y47-F88 PolarHBondContact N-O 2.79Å; Y47-F88 PolarHBondContact O-N 3.46Å; R49-F88 HydrophobicContact CB-CE2 4.32Å; L52-F88 HydrophobicContact CD1-CD1 4.04Å; L52-F88 HydrophobicContact CD1-CD2 3.54Å; L52-F88 HydrophobicContact CD1-CE1 3.9Å; L52-F88 HydrophobicContact CD1-CE2 3.39Å; L52-F88 HydrophobicContact CD1-CG 3.88Å; L52-F88 HydrophobicContact CD1-CZ 3.58Å; L52-F88 HydrophobicContact CG-CD2 4.2Å; L52-F88 HydrophobicContact CG-CE2 4.35Å; A60-F88 HydrophobicContact CB-CE1 3.98Å; A60-F88 HydrophobicContact CB-CZ 4.03Å; E86-F88 HydrophobicContact CG-CE2 4.32Å; E86-F88 HydrophobicContact CG-CZ 4.08Å; F88-L130 HydrophobicContact CD1-CB 4.08Å; F88-L130 HydrophobicContact CE1-CB 4.4Å; F88-L130 HydrophobicContact CE1-CD1 4.48Å; F88-L139 HydrophobicContact CB-CD2 4.43Å; F88-L139 HydrophobicContact CD1-CD1 4.44Å; F88-L139 HydrophobicContact CD1-CD2 3.49Å; F88-L139 VanDerWaalsContact CD1-CD2 3.49Å; F88-L139 HydrophobicContact CE1-CD1 4.21Å; F88-L139 HydrophobicContact CE1-CD2 4.08Å; F88-L139 HydrophobicContact CG-CD2 4.18Å |
| 89 | L | 95.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 137.5 | 179 | 168.2 | 64.1 | 0 | 0 | 0 | 109.4 | V44 F46 F128 L130 V131 Y132 | V44-L89 HydrophobicContact CG1-CD1 3.41Å; V44-L89 VanDerWaalsContact CG1-CD1 3.41Å; F46-L89 HydrophobicContact CD1-CB 4.27Å; F46-L89 HydrophobicContact CE1-CB 3.87Å; F46-L89 HydrophobicContact CE1-CD1 3.82Å; F46-L89 HydrophobicContact CE1-CG 4.43Å; F46-L89 HydrophobicContact CE2-CD1 4.34Å; F46-L89 HydrophobicContact CZ-CD1 3.71Å; L89-F128 HydrophobicContact CB-CD2 3.57Å; L89-F128 HydrophobicContact CB-CE2 3.82Å; L89-F128 HydrophobicContact CB-CG 4.19Å; L89-F128 HydrophobicContact CD2-CD2 4.26Å; L89-F128 HydrophobicContact CD2-CE2 3.6Å; L89-F128 HydrophobicContact CD2-CZ 4.13Å; L89-F128 HydrophobicContact CG-CE2 4.31Å; L89-L130 PolarHBondContact N-O 3.36Å; L89-V131 HydrophobicContact CB-CG2 4.19Å; L89-V131 HydrophobicContact CD2-CG2 4.02Å; L89-V131 HydrophobicContact CG-CG2 4.22Å; L89-V131 CarbonylContact O-C 3.04Å; L89-V131 WeakPolarHBondContact O-CA 3.42Å; L89-V131 WeakPolarHBondContact O-CG1 3.18Å; L89-Y132 PolarHBondContact O-N 3.07Å |
| 90 | S | 94.7 | Very high | 94 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136 | 168.5 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | V44 C45 Y47 H92 Y132 P134 | V44-S90 WeakPolarHBondContact CG1-O 3.41Å; C45-S90 PolarHBondContact O-N 3.49Å; Y47-S90 VanDerWaalsContact CE2-CB 3.46Å; S90-H92 PolarHBondContact O-N 2.83Å; S90-H92 WeakPolarHBondContact OG-CB 3.48Å; S90-H92 PolarHBondContact OG-N 3.37Å; S90-Y132 WeakPolarHBondContact CA-O 3.04Å; S90-Y132 WeakPolarHBondContact CB-O 3.39Å; S90-Y132 PolarHBondContact OG-O 3.36Å; S90-Y132 VanDerWaalsContact OG-O 3.07Å; S90-P134 VanDerWaalsContact OG-CD 3.32Å; S90-P134 WeakPolarHBondContact OG-CD 3.36Å |
| 91 | R | 87.8 | Confident | 94.3 | Very high | 168 Ų | 168 | 39.7 Ų | 39.7 | 63% | 0.634 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71 | -4.8 | 173.3 | -62.2 | -175.6 | -176.5 | 142.3 | 3.3 | 112.8 | V131 D142 | R91-V131 HydrophobicContact CG-CG1 4.33Å; R91-D142 PolarHBondContact NH2-O 3.06Å |
| 92 | H | 89.6 | Confident | 94.4 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 40% | 0.403 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 132.2 | 173.5 | -171 | 63.9 | 0 | 0 | 0 | 110.7 | C45 S90 E94 P134 | C45-H92 PolarHBondContact SG-O 3.27Å; S90-H92 PolarHBondContact O-N 2.83Å; S90-H92 WeakPolarHBondContact OG-CB 3.48Å; S90-H92 PolarHBondContact OG-N 3.37Å; H92-E94 IonicContact CD2-OE1 3.25Å; H92-P134 HydrophobicContact CB-CG 4.44Å |
| 93 | L | 93.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.9 | 175.8 | -63.4 | 175.4 | 0 | 0 | 0 | 109.3 | V43 V44 | V43-L93 WeakPolarHBondContact O-CA 3.47Å; V44-L93 HydrophobicContact CB-CD2 4.29Å; V44-L93 HydrophobicContact CG2-CD2 3.5Å |
| 94 | E | 95.2 | Very high | 94.7 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 20% | 0.201 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144 | 174.6 | -70.3 | 171.3 | -147.6 | 0 | 0 | 109.5 | R26 K42 V43 C45 H92 L96 | R26-E94 IonicContact CZ-OE1 3.07Å; R26-E94 IonicContact CZ-OE2 3.62Å; R26-E94 IonicContact NE-OE2 2.65Å; R26-E94 IonicContact NH1-OE1 3.22Å; R26-E94 PolarHBondContact NH1-OE1 3.22Å; R26-E94 IonicContact NH1-OE2 2.83Å; R26-E94 PolarHBondContact NH1-OE2 3.49Å; R26-E94 VanDerWaalsContact NH2-CD 3.33Å; R26-E94 IonicContact NH2-OE1 3.83Å; R26-E94 PolarHBondContact NH2-OE1 3.13Å; R26-E94 VanDerWaalsContact NH2-OE1 3.15Å; R26-E94 IonicContact NH2-OE2 3.46Å; R26-E94 PolarHBondContact NH2-OE2 2.95Å; K42-E94 CarbonylContact C-O 3.58Å; K42-E94 WeakPolarHBondContact CA-O 3.34Å; V43-E94 HydrophobicContact CG2-CB 4.27Å; V43-E94 WeakPolarHBondContact CG2-O 3.39Å; V43-E94 PolarHBondContact N-O 3.23Å; V43-E94 PolarHBondContact O-N 2.97Å; C45-E94 PolarHBondContact SG-OE1 3.09Å; H92-E94 IonicContact CD2-OE1 3.25Å; E94-L96 HydrophobicContact CB-CG 4.38Å |
| 95 | T | 96.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115 | 170.6 | -58.1 | 0 | 0 | 0 | 0 | 108.3 | E40 A41 | E40-T95 HydrophobicContact CB-CG2 3.77Å; E40-T95 HydrophobicContact CG-CG2 4.42Å; A41-T95 WeakPolarHBondContact O-CA 3.22Å |
| 96 | L | 96.2 | Very high | 94.9 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.9 | -177.4 | -63.8 | 174.7 | 0 | 0 | 0 | 110.6 | F15 E40 A41 V43 E94 A98 | F15-L96 HydrophobicContact CD1-CB 4.3Å; F15-L96 HydrophobicContact CD1-CD1 3.89Å; F15-L96 HydrophobicContact CE1-CB 3.76Å; F15-L96 HydrophobicContact CE1-CD1 4.11Å; E40-L96 CarbonylContact C-O 3.57Å; E40-L96 WeakPolarHBondContact CA-O 3.46Å; A41-L96 PolarHBondContact N-O 3.36Å; A41-L96 PolarHBondContact O-N 3Å; V43-L96 HydrophobicContact CG2-CD1 4.48Å; E94-L96 HydrophobicContact CB-CG 4.38Å; L96-A98 PolarHBondContact O-N 2.89Å |
| 97 | P | 96.4 | Very high | 94.9 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 130.1 | 172.7 | -23.3 | 33.9 | 0 | 0 | 0 | 110.9 | T99 H100 | P97-T99 PolarHBondContact O-N 3.26Å; P97-T99 VanDerWaalsContact O-N 3.13Å; P97-H100 WeakPolarHBondContact O-CB 3.37Å; P97-H100 PolarHBondContact O-N 2.75Å; P97-H100 VanDerWaalsContact O-N 3.09Å |
| 98 | A | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -60.2 | -28.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V39 A41 L96 H100 I101 I334 | V39-A98 HydrophobicContact CB-CB 4.16Å; V39-A98 HydrophobicContact CG1-CB 4.02Å; V39-A98 VanDerWaalsContact O-CB 3.24Å; V39-A98 WeakPolarHBondContact O-CB 3.44Å; V39-A98 PolarHBondContact O-N 3.15Å; A41-A98 HydrophobicContact CB-CB 4.46Å; L96-A98 PolarHBondContact O-N 2.89Å; A98-H100 PolarHBondContact O-N 3.47Å; A98-I101 WeakPolarHBondContact O-CB 3.08Å; A98-I101 WeakPolarHBondContact O-CD1 3.44Å; A98-I101 VanDerWaalsContact O-CG1 3.31Å; A98-I101 WeakPolarHBondContact O-CG1 3.11Å; A98-I101 PolarHBondContact O-N 2.66Å; A98-I334 HydrophobicContact CB-CD1 4.2Å; A98-I334 WeakPolarHBondContact O-CD1 3.43Å |
| 99 | T | 94.4 | Very high | 94.6 | Very high | 94 Ų | 94 | 52 Ų | 52 | 58% | 0.577 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58.2 | -12.6 | 176.3 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | P97 I101 | P97-T99 PolarHBondContact O-N 3.26Å; P97-T99 VanDerWaalsContact O-N 3.13Å; T99-I101 VanDerWaalsContact C-N 3.31Å |
| 100 | H | 95.2 | Very high | 94.2 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -80.6 | -8.8 | 175.6 | -68.5 | -169.8 | 0 | 0 | 0 | 113.5 | F15 E16 P97 A98 | F15-H100 HydrophobicContact CD1-CB 3.53Å; F15-H100 HydrophobicContact CE1-CB 3.81Å; E16-H100 PolarHBondContact N-O 2.83Å; P97-H100 WeakPolarHBondContact O-CB 3.37Å; P97-H100 PolarHBondContact O-N 2.75Å; P97-H100 VanDerWaalsContact O-N 3.09Å; A98-H100 PolarHBondContact O-N 3.47Å |
| 101 | I | 95.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 132.4 | 178.9 | -63.9 | 164.7 | 0 | 0 | 0 | 110.9 | Y7 V13 Y14 F15 I28 A98 T99 I334 | Y7-I101 HydrophobicContact CD1-CG2 3.63Å; Y7-I101 HydrophobicContact CD2-CG2 4.23Å; Y7-I101 HydrophobicContact CE1-CG2 3.29Å; Y7-I101 HydrophobicContact CE2-CG2 3.96Å; Y7-I101 HydrophobicContact CG-CG2 4.06Å; Y7-I101 VanDerWaalsContact CZ-CG2 3.46Å; V13-I101 HydrophobicContact CB-CG2 3.91Å; V13-I101 HydrophobicContact CG1-CG2 4.02Å; V13-I101 HydrophobicContact CG2-CD1 4.4Å; V13-I101 HydrophobicContact CG2-CG1 4.17Å; V13-I101 HydrophobicContact CG2-CG2 4.42Å; Y14-I101 CarbonylContact O-C 3.57Å; Y14-I101 WeakPolarHBondContact O-CA 3.43Å; F15-I101 HydrophobicContact CD2-CG1 4.02Å; F15-I101 HydrophobicContact CE1-CG1 4.02Å; F15-I101 HydrophobicContact CE2-CD1 4.01Å; F15-I101 HydrophobicContact CE2-CG1 3.41Å; F15-I101 VanDerWaalsContact CE2-CG1 3.41Å; F15-I101 HydrophobicContact CZ-CD1 3.89Å; F15-I101 HydrophobicContact CZ-CG1 3.4Å; F15-I101 VanDerWaalsContact CZ-CG1 3.4Å; I28-I101 HydrophobicContact CD1-CD1 3.82Å; A98-I101 WeakPolarHBondContact O-CB 3.08Å; A98-I101 WeakPolarHBondContact O-CD1 3.44Å; A98-I101 VanDerWaalsContact O-CG1 3.31Å; A98-I101 WeakPolarHBondContact O-CG1 3.11Å; A98-I101 PolarHBondContact O-N 2.66Å; T99-I101 VanDerWaalsContact C-N 3.31Å; I101-I334 HydrophobicContact CB-CD1 3.74Å; I101-I334 HydrophobicContact CD1-CD1 3.62Å; I101-I334 HydrophobicContact CG1-CD1 4.15Å; I101-I334 HydrophobicContact CG2-CD1 4.34Å |
| 102 | R | 93.6 | Very high | 93 | Very high | 56 Ų | 56 | 50 Ų | 50 | 21% | 0.211 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -3.2 | -176.4 | -59.7 | -52 | 171 | 83.9 | 13.5 | 116.4 | Y14 E16 Y23 Y337 | Y14-R102 PolarHBondContact O-N 2.72Å; E16-R102 HydrophobicContact CB-CG 3.87Å; E16-R102 IonicContact OE2-CZ 2.84Å; E16-R102 IonicContact OE2-NE 2.83Å; E16-R102 IonicContact OE2-NH1 3.83Å; E16-R102 PolarHBondContact OE2-NH1 3.21Å; E16-R102 IonicContact OE2-NH2 3.94Å; E16-R102 PolarHBondContact OE2-NH2 3.02Å; Y23-R102 HydrophobicContact CE1-CB 4.07Å; Y23-R102 HydrophobicContact CE1-CG 3.95Å; R102-Y337 VanDerWaalsContact CZ-CB 3.47Å; R102-Y337 VanDerWaalsContact NH1-CB 3.29Å; R102-Y337 VanDerWaalsContact NH2-CZ 3.35Å |
| 103 | G | 94.5 | Very high | 92.3 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | 171 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y7 V13 Y14 | Y7-G103 WeakPolarHBondContact OH-CA 3.49Å; Y7-G103 PolarHBondContact OH-N 3.1Å; V13-G103 CarbonylContact C-O 3.08Å; V13-G103 VanDerWaalsContact CA-O 3.23Å; V13-G103 WeakPolarHBondContact CA-O 3.08Å; V13-G103 WeakPolarHBondContact CB-O 3.42Å; Y14-G103 PolarHBondContact N-O 2.79Å |
| 104 | K | 95.4 | Very high | 91.8 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 35% | 0.348 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 151.3 | 174.3 | -57.7 | -169.3 | -173.4 | -161.3 | 0 | 110.5 | M6 Y7 D11 F12 V13 | M6-K104 WeakPolarHBondContact O-CE 3.45Å; M6-K104 PolarHBondContact O-NZ 2.85Å; Y7-K104 HydrophobicContact CD1-CD 4.48Å; Y7-K104 HydrophobicContact CD1-CG 3.9Å; Y7-K104 HydrophobicContact CE1-CG 3.66Å; D11-K104 VanDerWaalsContact OD2-CE 3.31Å; D11-K104 WeakPolarHBondContact OD2-CE 3.24Å; D11-K104 IonicContact OD2-NZ 3.73Å; D11-K104 PolarHBondContact OD2-NZ 2.98Å; F12-K104 WeakPolarHBondContact O-CA 3.44Å; V13-K104 HydrophobicContact CG1-CG 4.45Å |
| 105 | C | 96.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 175.5 | 167.7 | 58 | 0 | 0 | 0 | 0 | 108.6 | F12 Y14 D124 F126 | F12-C105 WeakPolarHBondContact CB-O 3.37Å; F12-C105 PolarHBondContact O-N 3.42Å; F12-C105 VanDerWaalsContact O-O 3.13Å; Y14-C105 HydrophobicContact CD2-CB 4.41Å; Y14-C105 HydrophobicContact CE1-CB 4.18Å; Y14-C105 HydrophobicContact CE2-CB 3.83Å; C105-D124 CarbonylContact C-O 3.6Å; C105-D124 WeakPolarHBondContact CA-O 3.49Å; C105-D124 HydrophobicContact CB-CB 4.26Å; C105-D124 VanDerWaalsContact CB-O 3.29Å; C105-D124 WeakPolarHBondContact CB-O 3.49Å; C105-F126 HydrophobicContact CB-CD2 4.18Å; C105-F126 HydrophobicContact CB-CE2 3.95Å |
| 106 | T | 96.7 | Very high | 90.9 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 46% | 0.46 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.1 | 174.5 | -54.6 | 0 | 0 | 0 | 0 | 108.2 | T108 D124 T125 F126 | T106-T108 HydrophobicContact CG2-CG2 4.2Å; T106-D124 PolarHBondContact N-O 2.78Å; T106-T125 CarbonylContact O-C 3.59Å; T106-T125 WeakPolarHBondContact O-CA 3.4Å; T106-F126 PolarHBondContact O-N 2.9Å |
| 107 | V | 96.5 | Very high | 90.5 | Very high | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.2 | 175 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | F12 I25 F46 L87 F126 F128 | F12-V107 HydrophobicContact CB-CG2 3.96Å; F12-V107 HydrophobicContact CD1-CB 3.54Å; F12-V107 HydrophobicContact CD1-CG1 4.49Å; F12-V107 HydrophobicContact CD1-CG2 3.53Å; F12-V107 HydrophobicContact CD2-CB 4.24Å; F12-V107 HydrophobicContact CE1-CB 3.64Å; F12-V107 HydrophobicContact CE1-CG1 4.27Å; F12-V107 HydrophobicContact CE1-CG2 4.13Å; F12-V107 HydrophobicContact CE2-CB 4.32Å; F12-V107 WeakPolarHBondContact CE2-O 3.48Å; F12-V107 HydrophobicContact CG-CB 3.86Å; F12-V107 HydrophobicContact CG-CG2 3.79Å; F12-V107 HydrophobicContact CZ-CB 4.03Å; I25-V107 HydrophobicContact CG2-CG2 3.72Å; F46-V107 HydrophobicContact CD1-CG1 4.25Å; F46-V107 HydrophobicContact CE1-CG1 3.79Å; F46-V107 HydrophobicContact CZ-CG1 4.11Å; L87-V107 HydrophobicContact CD1-CG1 4.18Å; L87-V107 HydrophobicContact CD1-CG2 3.95Å; V107-F126 WeakPolarHBondContact CA-O 3.36Å; V107-F126 HydrophobicContact CG2-CB 4.22Å; V107-F128 HydrophobicContact CG1-CD1 3.63Å; V107-F128 HydrophobicContact CG1-CE1 4.13Å |
| 108 | T | 93.8 | Very high | 90.2 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 32% | 0.319 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.2 | -178.7 | 52.1 | 0 | 0 | 0 | 0 | 110.6 | T106 H110 Y119 F126 F127 F128 | T106-T108 HydrophobicContact CG2-CG2 4.2Å; T108-H110 PolarHBondContact O-N 2.79Å; T108-Y119 VanDerWaalsContact OG1-CE1 3.28Å; T108-Y119 WeakPolarHBondContact OG1-CE1 3.44Å; T108-F126 PolarHBondContact N-O 2.9Å; T108-F126 PolarHBondContact OG1-O 2.97Å; T108-F127 CarbonylContact O-C 3.53Å; T108-F127 WeakPolarHBondContact O-CA 3.3Å; T108-F128 WeakPolarHBondContact O-CD1 3.37Å; T108-F128 PolarHBondContact O-N 3.01Å |
| 109 | L | 92 | Very high | 90 | Very high | 79 Ų | 79 | 53 Ų | 53 | 41% | 0.414 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 123.4 | 168.4 | 176.7 | 68.4 | 0 | 0 | 0 | 107.2 | F128 | L109-F128 HydrophobicContact CB-CE1 4.07Å; L109-F128 HydrophobicContact CB-CE2 4.46Å; L109-F128 HydrophobicContact CB-CZ 3.9Å; L109-F128 HydrophobicContact CD1-CD2 4Å; L109-F128 HydrophobicContact CD1-CE2 3.57Å; L109-F128 HydrophobicContact CD1-CZ 3.89Å; L109-F128 HydrophobicContact CG-CZ 4.47Å |
| 110 | H | 88.3 | Confident | 89.9 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | trans | -71.1 | 133 | 178.2 | -178.3 | 63.1 | 0 | 0 | 0 | 111.2 | T108 E114 Y116 Y119 F127 F128 Q129 | T108-H110 PolarHBondContact O-N 2.79Å; H110-E114 PolarHBondContact CE1-O 3.08Å; H110-Y116 AromaticContact CD2-CE1 3.49Å; H110-Y116 VanDerWaalsContact CD2-CE1 3.49Å; H110-Y116 WeakPolarHBondContact CD2-CE1 3.38Å; H110-Y116 AromaticContact CD2-CZ 3.86Å; H110-Y116 AromaticContact CE1-CD1 3.69Å; H110-Y116 AromaticContact CE1-CE1 3.49Å; H110-Y116 VanDerWaalsContact CE1-CE1 3.49Å; H110-Y116 WeakPolarHBondContact CE1-CE1 3.47Å; H110-Y116 AromaticContact CG-CE1 3.94Å; H110-Y116 AromaticContact ND1-CE1 3.95Å; H110-Y116 AromaticContact NE2-CD1 3.85Å; H110-Y116 AromaticContact NE2-CE1 3.17Å; H110-Y116 WeakPolarHBondContact NE2-CE1 3.4Å; H110-Y116 AromaticContact NE2-CZ 3.36Å; H110-Y116 PolarHBondContact NE2-OH 2.86Å; H110-Y119 AromaticContact ND1-CE2 3.48Å; H110-Y119 WeakPolarHBondContact ND1-CE2 3.44Å; H110-Y119 AromaticContact ND1-CZ 3.71Å; H110-Y119 PolarHBondContact ND1-OH 3.47Å; H110-F127 HydrophobicContact CB-CB 4.23Å; H110-F127 HydrophobicContact CB-CD2 3.86Å; H110-F127 HydrophobicContact CB-CG 4.39Å; H110-F128 PolarHBondContact N-O 2.9Å; H110-Q129 HydrophobicContact CB-CB 4.47Å | ||
| 111 | T | 82.6 | Confident | 89.7 | Confident | 61 Ų | 61 | 52.7 Ų | 52.7 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | trans | -109.3 | 142.8 | 175.1 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | T113 E114 | T111-T113 PolarHBondContact O-N 3.22Å; T111-T113 PolarHBondContact OG1-OG1 3.24Å; T111-E114 PolarHBondContact O-N 3.29Å | ||
| 112 | E | 74.4 | Confident | 89.6 | Confident | 76 Ų | 76 | 59 Ų | 59 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.6 | -176.1 | -39.8 | -169.4 | 162.5 | 0 | 0 | 113.7 | L67 T69 | L67-E112 HydrophobicContact CD1-CB 3.8Å; L67-E112 HydrophobicContact CD1-CG 3.41Å; L67-E112 VanDerWaalsContact CD1-CG 3.41Å; L67-E112 WeakPolarHBondContact CD1-OE1 3.45Å; L67-E112 HydrophobicContact CD2-CB 4.16Å; L67-E112 HydrophobicContact CD2-CG 4.12Å; L67-E112 HydrophobicContact CG-CB 4.01Å; L67-E112 HydrophobicContact CG-CG 4.08Å; T69-E112 WeakPolarHBondContact CG2-O 3.38Å |
| 113 | T | 75.5 | Confident | 89.6 | Confident | 117 Ų | 117 | 61.7 Ų | 61.7 | 72% | 0.718 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15.1 | 178.9 | 52 | 0 | 0 | 0 | 0 | 114.2 | T111 | T111-T113 PolarHBondContact O-N 3.22Å; T111-T113 PolarHBondContact OG1-OG1 3.24Å |
| 114 | E | 82.3 | Confident | 89.6 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -105.2 | 134.6 | -176.6 | -66.3 | -173.2 | 158 | 0 | 0 | 110.6 | H110 T111 I118 Y119 | H110-E114 PolarHBondContact CE1-O 3.08Å; T111-E114 PolarHBondContact O-N 3.29Å; E114-I118 HydrophobicContact CB-CD1 4.4Å; E114-Y119 PolarHBondContact OE2-OH 3.41Å |
| 115 | P | 85.4 | Confident | 89.6 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 29% | 0.292 | 32% | 0.32 | S | S | . | . | trans | -79.2 | 144.5 | 173.7 | 31.4 | -37 | 0 | 0 | 0 | 112.3 | H117 I118 | P115-H117 WeakPolarHBondContact CB-CE1 3.25Å; P115-H117 WeakPolarHBondContact CB-ND1 3.46Å; P115-H117 WeakPolarHBondContact CG-CE1 3.49Å; P115-H117 PolarHBondContact O-N 3.23Å; P115-H117 VanDerWaalsContact O-N 3.11Å; P115-I118 HydrophobicContact CG-CD1 3.78Å; P115-I118 HydrophobicContact CG-CG1 4.06Å; P115-I118 WeakPolarHBondContact O-CG1 3.41Å; P115-I118 PolarHBondContact O-N 2.93Å | ||
| 116 | Y | 87.1 | Confident | 89.7 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -59.9 | -27 | -174.9 | -67.4 | -67.9 | 0 | 0 | 0 | 115.2 | Q64 T69 I82 H110 I118 Y119 F127 Q129 | Q64-Y116 HydrophobicContact CG-CE2 3.59Å; Q64-Y116 VanDerWaalsContact NE2-CE2 3.32Å; T69-Y116 WeakPolarHBondContact OG1-CE2 3.32Å; T69-Y116 PolarHBondContact OG1-OH 3.28Å; I82-Y116 HydrophobicContact CG2-CD1 4.31Å; I82-Y116 HydrophobicContact CG2-CG 4.12Å; H110-Y116 AromaticContact CD2-CE1 3.49Å; H110-Y116 VanDerWaalsContact CD2-CE1 3.49Å; H110-Y116 WeakPolarHBondContact CD2-CE1 3.38Å; H110-Y116 AromaticContact CD2-CZ 3.86Å; H110-Y116 AromaticContact CE1-CD1 3.69Å; H110-Y116 AromaticContact CE1-CE1 3.49Å; H110-Y116 VanDerWaalsContact CE1-CE1 3.49Å; H110-Y116 WeakPolarHBondContact CE1-CE1 3.47Å; H110-Y116 AromaticContact CG-CE1 3.94Å; H110-Y116 AromaticContact ND1-CE1 3.95Å; H110-Y116 AromaticContact NE2-CD1 3.85Å; H110-Y116 AromaticContact NE2-CE1 3.17Å; H110-Y116 WeakPolarHBondContact NE2-CE1 3.4Å; H110-Y116 AromaticContact NE2-CZ 3.36Å; H110-Y116 PolarHBondContact NE2-OH 2.86Å; Y116-I118 PolarHBondContact O-N 3.32Å; Y116-I118 VanDerWaalsContact O-N 3.12Å; Y116-Y119 HydrophobicContact CD1-CE2 4.4Å; Y116-Y119 VanDerWaalsContact O-CD2 3.32Å; Y116-Y119 WeakPolarHBondContact O-CD2 3.45Å; Y116-Y119 PolarHBondContact O-N 3.11Å; Y116-F127 HydrophobicContact CD1-CD2 4.46Å; Y116-F127 HydrophobicContact CD1-CE1 4.04Å; Y116-F127 AromaticContact CD1-CE2 3.8Å; Y116-F127 HydrophobicContact CD1-CE2 3.8Å; Y116-F127 AromaticContact CD1-CZ 3.54Å; Y116-F127 HydrophobicContact CD1-CZ 3.54Å; Y116-F127 HydrophobicContact CE1-CD2 4.27Å; Y116-F127 AromaticContact CE1-CE2 3.56Å; Y116-F127 HydrophobicContact CE1-CE2 3.56Å; Y116-F127 AromaticContact CE1-CZ 3.76Å; Y116-F127 HydrophobicContact CE1-CZ 3.76Å; Y116-Q129 PolarHBondContact OH-OE1 3.15Å |
| 117 | H | 88.3 | Confident | 89.6 | Confident | 110 Ų | 110 | 55.6 Ų | 55.6 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -62.7 | -21 | -177.9 | 66.8 | -101.1 | 0 | 0 | 0 | 113 | P115 Y119 L120 | P115-H117 WeakPolarHBondContact CB-CE1 3.25Å; P115-H117 WeakPolarHBondContact CB-ND1 3.46Å; P115-H117 WeakPolarHBondContact CG-CE1 3.49Å; P115-H117 PolarHBondContact O-N 3.23Å; P115-H117 VanDerWaalsContact O-N 3.11Å; H117-Y119 PolarHBondContact O-N 3.05Å; H117-L120 WeakPolarHBondContact O-CB 3.32Å; H117-L120 PolarHBondContact O-N 2.98Å |
| 118 | I | 90.5 | Very high | 89.5 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 34% | 0.344 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -58.5 | -36.2 | 177.2 | -65.9 | 173.5 | 0 | 0 | 0 | 110.8 | E114 P115 Y116 L120 T121 | E114-I118 HydrophobicContact CB-CD1 4.4Å; P115-I118 HydrophobicContact CG-CD1 3.78Å; P115-I118 HydrophobicContact CG-CG1 4.06Å; P115-I118 WeakPolarHBondContact O-CG1 3.41Å; P115-I118 PolarHBondContact O-N 2.93Å; Y116-I118 PolarHBondContact O-N 3.32Å; Y116-I118 VanDerWaalsContact O-N 3.12Å; I118-L120 PolarHBondContact O-N 2.78Å; I118-T121 WeakPolarHBondContact O-CB 3.4Å; I118-T121 PolarHBondContact O-N 2.68Å; I118-T121 PolarHBondContact O-OG1 3.05Å |
| 119 | Y | 92.1 | Very high | 89.3 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -72 | -15.1 | 179.9 | -53.4 | -65 | 0 | 0 | 0 | 113.8 | T108 H110 E114 Y116 H117 T125 F127 | T108-Y119 VanDerWaalsContact OG1-CE1 3.28Å; T108-Y119 WeakPolarHBondContact OG1-CE1 3.44Å; H110-Y119 AromaticContact ND1-CE2 3.48Å; H110-Y119 WeakPolarHBondContact ND1-CE2 3.44Å; H110-Y119 AromaticContact ND1-CZ 3.71Å; H110-Y119 PolarHBondContact ND1-OH 3.47Å; E114-Y119 PolarHBondContact OE2-OH 3.41Å; Y116-Y119 HydrophobicContact CD1-CE2 4.4Å; Y116-Y119 VanDerWaalsContact O-CD2 3.32Å; Y116-Y119 WeakPolarHBondContact O-CD2 3.45Å; Y116-Y119 PolarHBondContact O-N 3.11Å; H117-Y119 PolarHBondContact O-N 3.05Å; Y119-T125 HydrophobicContact CD1-CG2 3.99Å; Y119-F127 HydrophobicContact CD1-CB 4.21Å; Y119-F127 HydrophobicContact CD1-CD1 4.42Å; Y119-F127 HydrophobicContact CD2-CB 4.08Å; Y119-F127 AromaticContact CD2-CD1 3.25Å; Y119-F127 HydrophobicContact CD2-CD1 3.25Å; Y119-F127 AromaticContact CD2-CE1 3.84Å; Y119-F127 HydrophobicContact CD2-CE1 3.84Å; Y119-F127 AromaticContact CD2-CG 3.82Å; Y119-F127 HydrophobicContact CD2-CG 3.82Å; Y119-F127 HydrophobicContact CE1-CB 3.91Å; Y119-F127 HydrophobicContact CE2-CB 3.74Å; Y119-F127 AromaticContact CE2-CD1 3.64Å; Y119-F127 HydrophobicContact CE2-CD1 3.64Å; Y119-F127 HydrophobicContact CE2-CD2 4.45Å; Y119-F127 HydrophobicContact CE2-CE1 4.35Å; Y119-F127 AromaticContact CE2-CG 3.68Å; Y119-F127 HydrophobicContact CE2-CG 3.68Å; Y119-F127 HydrophobicContact CG-CB 4.31Å; Y119-F127 AromaticContact CG-CD1 3.7Å; Y119-F127 HydrophobicContact CG-CD1 3.7Å; Y119-F127 HydrophobicContact CG-CE1 4.49Å; Y119-F127 HydrophobicContact CG-CG 4.36Å |
| 120 | L | 91.8 | Very high | 89.4 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -82.1 | -20.7 | 174.1 | -60 | -178.6 | 0 | 0 | 0 | 112.6 | I78 Q81 I82 R85 H117 I118 K122 | I78-L120 HydrophobicContact CG2-CD1 3.83Å; Q81-L120 HydrophobicContact CB-CD1 4.46Å; Q81-L120 HydrophobicContact CB-CD2 3.87Å; I82-L120 HydrophobicContact CG1-CD1 4.02Å; I82-L120 HydrophobicContact CG1-CD2 4.47Å; I82-L120 HydrophobicContact CG1-CG 4.28Å; R85-L120 HydrophobicContact CG-CD2 3.91Å; H117-L120 WeakPolarHBondContact O-CB 3.32Å; H117-L120 PolarHBondContact O-N 2.98Å; I118-L120 PolarHBondContact O-N 2.78Å; L120-K122 PolarHBondContact O-N 2.83Å |
| 121 | T | 91.8 | Very high | 89.7 | Confident | 103 Ų | 103 | 51.2 Ų | 51.2 | 63% | 0.632 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -69.7 | -23.3 | -179.3 | 67 | 0 | 0 | 0 | 0 | 113.1 | I118 | I118-T121 WeakPolarHBondContact O-CB 3.4Å; I118-T121 PolarHBondContact O-N 2.68Å; I118-T121 PolarHBondContact O-OG1 3.05Å |
| 122 | K | 92.3 | Very high | 90.3 | Very high | 137 Ų | 137 | 49.1 Ų | 49.1 | 60% | 0.596 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -118.6 | 133.1 | -178.6 | -65.5 | 179.1 | -176 | 174.1 | 0 | 110.8 | R85 L120 T125 | R85-K122 PolarHBondContact NH1-O 2.82Å; L120-K122 PolarHBondContact O-N 2.83Å; K122-T125 VanDerWaalsContact CB-OG1 3.24Å; K122-T125 WeakPolarHBondContact CB-OG1 2.93Å |
| 123 | D | 93.5 | Very high | 91.2 | Very high | 111 Ų | 111 | 47.8 Ų | 47.8 | 59% | 0.594 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 156.7 | 168.3 | -74.7 | -39.3 | 0 | 0 | 0 | 111.1 | T125 | D123-T125 PolarHBondContact O-N 3.36Å; D123-T125 PolarHBondContact O-OG1 2.87Å; D123-T125 VanDerWaalsContact O-OG1 3.07Å |
| 124 | D | 94.9 | Very high | 92 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 23 | 176.2 | -59.8 | -49.7 | 0 | 0 | 0 | 114.2 | Y14 C105 T106 R392 Y393 | Y14-D124 HydrophobicContact CE2-CB 4.36Å; Y14-D124 WeakPolarHBondContact CE2-OD1 3.17Å; Y14-D124 PolarHBondContact OH-OD1 2.87Å; C105-D124 CarbonylContact C-O 3.6Å; C105-D124 WeakPolarHBondContact CA-O 3.49Å; C105-D124 HydrophobicContact CB-CB 4.26Å; C105-D124 VanDerWaalsContact CB-O 3.29Å; C105-D124 WeakPolarHBondContact CB-O 3.49Å; T106-D124 PolarHBondContact N-O 2.78Å; D124-R392 WeakPolarHBondContact OD1-CD 3.27Å; D124-R392 IonicContact OD1-NH1 3.52Å; D124-R392 IonicContact OD2-NH1 2.88Å; D124-Y393 PolarHBondContact N-OH 2.59Å |
| 125 | T | 96.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.4 | -179.6 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | R85 T106 Y119 K122 D123 | R85-T125 WeakPolarHBondContact CD-O 3.37Å; R85-T125 PolarHBondContact NH1-O 3.42Å; T106-T125 CarbonylContact O-C 3.59Å; T106-T125 WeakPolarHBondContact O-CA 3.4Å; Y119-T125 HydrophobicContact CD1-CG2 3.99Å; K122-T125 VanDerWaalsContact CB-OG1 3.24Å; K122-T125 WeakPolarHBondContact CB-OG1 2.93Å; D123-T125 PolarHBondContact O-N 3.36Å; D123-T125 PolarHBondContact O-OG1 2.87Å; D123-T125 VanDerWaalsContact O-OG1 3.07Å |
| 126 | F | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 162.5 | -177.8 | -58.5 | -93.6 | 0 | 0 | 0 | 110 | Y14 I25 H84 R85 L87 C105 T106 V107 T108 Y393 | Y14-F126 AromaticContact CE1-CE2 3.99Å; Y14-F126 HydrophobicContact CE1-CE2 3.99Å; Y14-F126 HydrophobicContact CE1-CZ 4.04Å; Y14-F126 AromaticContact CZ-CE2 3.93Å; Y14-F126 VanDerWaalsContact OH-CE2 3.24Å; Y14-F126 WeakPolarHBondContact OH-CE2 3.48Å; Y14-F126 WeakPolarHBondContact OH-CZ 3.39Å; I25-F126 HydrophobicContact CD1-CD1 3.73Å; I25-F126 HydrophobicContact CD1-CD2 3.82Å; I25-F126 HydrophobicContact CD1-CE1 3.5Å; I25-F126 HydrophobicContact CD1-CE2 3.6Å; I25-F126 HydrophobicContact CD1-CG 3.91Å; I25-F126 HydrophobicContact CD1-CZ 3.45Å; I25-F126 VanDerWaalsContact CD1-CZ 3.45Å; H84-F126 WeakPolarHBondContact O-CE1 3.19Å; R85-F126 CarbonylContact O-C 3.49Å; R85-F126 VanDerWaalsContact O-CA 3.22Å; R85-F126 WeakPolarHBondContact O-CA 3.49Å; R85-F126 VanDerWaalsContact O-CB 3.3Å; R85-F126 WeakPolarHBondContact O-CB 3.42Å; L87-F126 HydrophobicContact CD1-CB 3.49Å; L87-F126 VanDerWaalsContact CD1-CB 3.49Å; L87-F126 HydrophobicContact CD1-CD1 4Å; L87-F126 HydrophobicContact CD1-CG 3.77Å; L87-F126 HydrophobicContact CD2-CD1 4.2Å; L87-F126 HydrophobicContact CG-CB 3.95Å; L87-F126 HydrophobicContact CG-CD1 4.02Å; L87-F126 HydrophobicContact CG-CG 4.23Å; C105-F126 HydrophobicContact CB-CD2 4.18Å; C105-F126 HydrophobicContact CB-CE2 3.95Å; T106-F126 PolarHBondContact O-N 2.9Å; V107-F126 WeakPolarHBondContact CA-O 3.36Å; V107-F126 HydrophobicContact CG2-CB 4.22Å; T108-F126 PolarHBondContact N-O 2.9Å; T108-F126 PolarHBondContact OG1-O 2.97Å; F126-Y393 AromaticContact CE1-CD1 3.68Å; F126-Y393 HydrophobicContact CE1-CD1 3.68Å; F126-Y393 HydrophobicContact CE1-CE1 4.05Å; F126-Y393 HydrophobicContact CE2-CE1 4.45Å; F126-Y393 AromaticContact CZ-CD1 3.66Å; F126-Y393 HydrophobicContact CZ-CD1 3.66Å; F126-Y393 AromaticContact CZ-CE1 3.69Å; F126-Y393 HydrophobicContact CZ-CE1 3.69Å |
| 127 | F | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 156.7 | 173.4 | 69.3 | -88.2 | 0 | 0 | 0 | 110.6 | I82 R85 E86 L87 T108 H110 Y116 Y119 | I82-F127 HydrophobicContact CG2-CE1 4.03Å; I82-F127 HydrophobicContact CG2-CZ 3.92Å; R85-F127 HydrophobicContact CB-CD1 3.98Å; R85-F127 HydrophobicContact CB-CE1 3.87Å; R85-F127 PolarHBondContact O-N 3.09Å; E86-F127 CarbonylContact C-O 3.42Å; E86-F127 HydrophobicContact CB-CE1 4.24Å; E86-F127 HydrophobicContact CB-CE2 3.93Å; E86-F127 HydrophobicContact CB-CZ 3.66Å; E86-F127 HydrophobicContact CG-CE2 3.81Å; E86-F127 HydrophobicContact CG-CZ 4.06Å; L87-F127 PolarHBondContact N-O 2.99Å; T108-F127 CarbonylContact O-C 3.53Å; T108-F127 WeakPolarHBondContact O-CA 3.3Å; H110-F127 HydrophobicContact CB-CB 4.23Å; H110-F127 HydrophobicContact CB-CD2 3.86Å; H110-F127 HydrophobicContact CB-CG 4.39Å; Y116-F127 HydrophobicContact CD1-CD2 4.46Å; Y116-F127 HydrophobicContact CD1-CE1 4.04Å; Y116-F127 AromaticContact CD1-CE2 3.8Å; Y116-F127 HydrophobicContact CD1-CE2 3.8Å; Y116-F127 AromaticContact CD1-CZ 3.54Å; Y116-F127 HydrophobicContact CD1-CZ 3.54Å; Y116-F127 HydrophobicContact CE1-CD2 4.27Å; Y116-F127 AromaticContact CE1-CE2 3.56Å; Y116-F127 HydrophobicContact CE1-CE2 3.56Å; Y116-F127 AromaticContact CE1-CZ 3.76Å; Y116-F127 HydrophobicContact CE1-CZ 3.76Å; Y119-F127 HydrophobicContact CD1-CB 4.21Å; Y119-F127 HydrophobicContact CD1-CD1 4.42Å; Y119-F127 HydrophobicContact CD2-CB 4.08Å; Y119-F127 AromaticContact CD2-CD1 3.25Å; Y119-F127 HydrophobicContact CD2-CD1 3.25Å; Y119-F127 AromaticContact CD2-CE1 3.84Å; Y119-F127 HydrophobicContact CD2-CE1 3.84Å; Y119-F127 AromaticContact CD2-CG 3.82Å; Y119-F127 HydrophobicContact CD2-CG 3.82Å; Y119-F127 HydrophobicContact CE1-CB 3.91Å; Y119-F127 HydrophobicContact CE2-CB 3.74Å; Y119-F127 AromaticContact CE2-CD1 3.64Å; Y119-F127 HydrophobicContact CE2-CD1 3.64Å; Y119-F127 HydrophobicContact CE2-CD2 4.45Å; Y119-F127 HydrophobicContact CE2-CE1 4.35Å; Y119-F127 AromaticContact CE2-CG 3.68Å; Y119-F127 HydrophobicContact CE2-CG 3.68Å; Y119-F127 HydrophobicContact CG-CB 4.31Å; Y119-F127 AromaticContact CG-CD1 3.7Å; Y119-F127 HydrophobicContact CG-CD1 3.7Å; Y119-F127 HydrophobicContact CG-CE1 4.49Å; Y119-F127 HydrophobicContact CG-CG 4.36Å |
| 128 | F | 94.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.7 | 166.7 | 70.9 | -77.8 | 0 | 0 | 0 | 109.1 | F46 L87 L89 V107 T108 L109 H110 | F46-F128 HydrophobicContact CE1-CB 4.48Å; F46-F128 AromaticContact CE1-CD1 3.81Å; F46-F128 HydrophobicContact CE1-CD1 3.81Å; F46-F128 HydrophobicContact CE1-CE1 4.16Å; F46-F128 HydrophobicContact CE1-CG 4.07Å; L87-F128 HydrophobicContact CB-CB 4.39Å; L87-F128 VanDerWaalsContact O-CA 3.24Å; L87-F128 WeakPolarHBondContact O-CA 3.22Å; L87-F128 WeakPolarHBondContact O-CB 3.29Å; L89-F128 HydrophobicContact CB-CD2 3.57Å; L89-F128 HydrophobicContact CB-CE2 3.82Å; L89-F128 HydrophobicContact CB-CG 4.19Å; L89-F128 HydrophobicContact CD2-CD2 4.26Å; L89-F128 HydrophobicContact CD2-CE2 3.6Å; L89-F128 HydrophobicContact CD2-CZ 4.13Å; L89-F128 HydrophobicContact CG-CE2 4.31Å; V107-F128 HydrophobicContact CG1-CD1 3.63Å; V107-F128 HydrophobicContact CG1-CE1 4.13Å; T108-F128 WeakPolarHBondContact O-CD1 3.37Å; T108-F128 PolarHBondContact O-N 3.01Å; L109-F128 HydrophobicContact CB-CE1 4.07Å; L109-F128 HydrophobicContact CB-CE2 4.46Å; L109-F128 HydrophobicContact CB-CZ 3.9Å; L109-F128 HydrophobicContact CD1-CD2 4Å; L109-F128 HydrophobicContact CD1-CE2 3.57Å; L109-F128 HydrophobicContact CD1-CZ 3.89Å; L109-F128 HydrophobicContact CG-CZ 4.47Å; H110-F128 PolarHBondContact N-O 2.9Å |
| 129 | Q | 89.9 | Confident | 93.3 | Very high | 21 Ų | 21 | 52.2 Ų | 52.2 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | -37.9 | 176.2 | -176.3 | 173.9 | -4.2 | 0 | 0 | 110.9 | H63 H110 Y116 | H63-Q129 PolarHBondContact CE1-NE2 3.38Å; H63-Q129 VanDerWaalsContact CE1-NE2 3.31Å; H63-Q129 PolarHBondContact ND1-NE2 3.49Å; H63-Q129 VanDerWaalsContact ND1-NE2 3.15Å; H110-Q129 HydrophobicContact CB-CB 4.47Å; Y116-Q129 PolarHBondContact OH-OE1 3.15Å |
| 130 | L | 92.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 150.7 | -178.7 | -58.6 | 175.7 | 0 | 0 | 0 | 111.2 | A60 H63 F88 L89 L139 Q140 | A60-L130 HydrophobicContact CB-CD1 4.33Å; H63-L130 HydrophobicContact CB-CD1 4.39Å; F88-L130 HydrophobicContact CD1-CB 4.08Å; F88-L130 HydrophobicContact CE1-CB 4.4Å; F88-L130 HydrophobicContact CE1-CD1 4.48Å; L89-L130 PolarHBondContact N-O 3.36Å; L130-L139 HydrophobicContact CB-CD2 4.17Å; L130-L139 HydrophobicContact CD1-CB 4.37Å; L130-L139 HydrophobicContact CD1-CD1 4.3Å; L130-Q140 CarbonylContact C-O 3.56Å; L130-Q140 WeakPolarHBondContact CA-O 3.37Å |
| 131 | V | 94.1 | Very high | 92.7 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.3 | 171.8 | 176 | 0 | 0 | 0 | 0 | 109 | L89 R91 L139 Q140 D142 | L89-V131 HydrophobicContact CB-CG2 4.19Å; L89-V131 HydrophobicContact CD2-CG2 4.02Å; L89-V131 HydrophobicContact CG-CG2 4.22Å; L89-V131 CarbonylContact O-C 3.04Å; L89-V131 WeakPolarHBondContact O-CA 3.42Å; L89-V131 WeakPolarHBondContact O-CG1 3.18Å; R91-V131 HydrophobicContact CG-CG1 4.33Å; V131-L139 WeakPolarHBondContact O-CA 3.22Å; V131-Q140 PolarHBondContact N-O 3.11Å; V131-Q140 PolarHBondContact O-N 2.86Å; V131-D142 HydrophobicContact CG2-CB 3.49Å; V131-D142 VanDerWaalsContact CG2-CB 3.49Å; V131-D142 VanDerWaalsContact CG2-OD1 3.32Å; V131-D142 WeakPolarHBondContact CG2-OD1 3.38Å |
| 132 | Y | 95.7 | Very high | 91.7 | Very high | 17 Ų | 17 | 54 Ų | 54 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125.4 | 174.8 | 177 | -123.5 | 0 | 0 | 0 | 111.2 | Y47 L52 L56 L89 S90 P134 T138 L139 | Y47-Y132 HydrophobicContact CD1-CD1 4.11Å; Y47-Y132 HydrophobicContact CD1-CE1 4.03Å; Y47-Y132 AromaticContact CD2-CD1 3.72Å; Y47-Y132 HydrophobicContact CD2-CD1 3.72Å; Y47-Y132 HydrophobicContact CD2-CE1 4.37Å; Y47-Y132 HydrophobicContact CE1-CD1 4.5Å; Y47-Y132 HydrophobicContact CE1-CE1 4.22Å; Y47-Y132 HydrophobicContact CE2-CD1 4.15Å; Y47-Y132 AromaticContact CG-CD1 3.69Å; Y47-Y132 HydrophobicContact CG-CD1 3.69Å; Y47-Y132 HydrophobicContact CG-CE1 4.09Å; L52-Y132 HydrophobicContact CD2-CD1 3.84Å; L52-Y132 HydrophobicContact CD2-CD2 3.5Å; L52-Y132 VanDerWaalsContact CD2-CD2 3.5Å; L52-Y132 HydrophobicContact CD2-CE1 3.91Å; L52-Y132 HydrophobicContact CD2-CE2 3.6Å; L52-Y132 HydrophobicContact CD2-CG 3.62Å; L56-Y132 HydrophobicContact CD1-CD2 4.16Å; L56-Y132 HydrophobicContact CD1-CE2 3.64Å; L89-Y132 PolarHBondContact O-N 3.07Å; S90-Y132 WeakPolarHBondContact CA-O 3.04Å; S90-Y132 WeakPolarHBondContact CB-O 3.39Å; S90-Y132 PolarHBondContact OG-O 3.36Å; S90-Y132 VanDerWaalsContact OG-O 3.07Å; Y132-P134 HydrophobicContact CD1-CB 4.46Å; Y132-P134 HydrophobicContact CE1-CB 3.86Å; Y132-P134 WeakPolarHBondContact O-CD 3.23Å; Y132-T138 WeakPolarHBondContact CA-O 3.24Å; Y132-T138 WeakPolarHBondContact CD2-O 3.39Å; Y132-L139 HydrophobicContact CD2-CD2 4.11Å; Y132-L139 HydrophobicContact CG-CD2 4.38Å |
| 133 | D | 93.5 | Very high | 90.6 | Very high | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.7 | 167.2 | -174.4 | -13.9 | 0 | 0 | 0 | 109.8 | L135 Q136 K137 T138 | D133-L135 VanDerWaalsContact C-N 3.27Å; D133-L135 PolarHBondContact O-N 2.84Å; D133-L135 WeakPolarHBondContact OD1-CB 3.31Å; D133-L135 PolarHBondContact OD1-N 3.45Å; D133-Q136 HydrophobicContact CB-CB 4.25Å; D133-Q136 PolarHBondContact OD1-N 3.15Å; D133-Q136 WeakPolarHBondContact OD2-CB 3.32Å; D133-Q136 VanDerWaalsContact OD2-CG 3.25Å; D133-Q136 WeakPolarHBondContact OD2-CG 3.14Å; D133-K137 WeakPolarHBondContact O-CA 3.39Å; D133-K137 PolarHBondContact O-N 2.9Å; D133-T138 PolarHBondContact N-O 3.3Å; D133-T138 PolarHBondContact O-N 3.44Å |
| 134 | P | 92.1 | Very high | 89.2 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 22% | 0.221 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22 | 179.4 | 27.7 | -34.9 | 0 | 0 | 0 | 113.8 | S90 H92 Y132 | S90-P134 VanDerWaalsContact OG-CD 3.32Å; S90-P134 WeakPolarHBondContact OG-CD 3.36Å; H92-P134 HydrophobicContact CB-CG 4.44Å; Y132-P134 HydrophobicContact CD1-CB 4.46Å; Y132-P134 HydrophobicContact CE1-CB 3.86Å; Y132-P134 WeakPolarHBondContact O-CD 3.23Å |
| 135 | L | 91.8 | Very high | 87.8 | Confident | 155 Ų | 155 | 54.4 Ų | 54.4 | 81% | 0.812 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -47.3 | 179.2 | -61.8 | 175.9 | 0 | 0 | 0 | 110.8 | D133 | D133-L135 VanDerWaalsContact C-N 3.27Å; D133-L135 PolarHBondContact O-N 2.84Å; D133-L135 WeakPolarHBondContact OD1-CB 3.31Å; D133-L135 PolarHBondContact OD1-N 3.45Å |
| 136 | Q | 92 | Very high | 86.5 | Confident | 130 Ų | 130 | 60 Ų | 60 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -13.5 | 179.4 | -64 | -171 | -14 | 0 | 0 | 113.3 | D133 T138 | D133-Q136 HydrophobicContact CB-CB 4.25Å; D133-Q136 PolarHBondContact OD1-N 3.15Å; D133-Q136 WeakPolarHBondContact OD2-CB 3.32Å; D133-Q136 VanDerWaalsContact OD2-CG 3.25Å; D133-Q136 WeakPolarHBondContact OD2-CG 3.14Å; Q136-T138 VanDerWaalsContact C-N 3.33Å; Q136-T138 HydrophobicContact CB-CG2 3.94Å; Q136-T138 PolarHBondContact O-N 2.73Å |
| 137 | K | 92.5 | Very high | 85.4 | Confident | 139 Ų | 139 | 66.7 Ų | 66.7 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 50.5 | -172.2 | -59 | -177.4 | 178.6 | -178.7 | 0 | 111.6 | D133 | D133-K137 WeakPolarHBondContact O-CA 3.39Å; D133-K137 PolarHBondContact O-N 2.9Å |
| 138 | T | 92.6 | Very high | 84.3 | Confident | 41 Ų | 41 | 72 Ų | 72 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.6 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | Y132 D133 Q136 | Y132-T138 WeakPolarHBondContact CA-O 3.24Å; Y132-T138 WeakPolarHBondContact CD2-O 3.39Å; D133-T138 PolarHBondContact N-O 3.3Å; D133-T138 PolarHBondContact O-N 3.44Å; Q136-T138 VanDerWaalsContact C-N 3.33Å; Q136-T138 HydrophobicContact CB-CG2 3.94Å; Q136-T138 PolarHBondContact O-N 2.73Å |
| 139 | L | 92.4 | Very high | 83.3 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.5 | 169.8 | -75.7 | 174.7 | 0 | 0 | 0 | 109.5 | L52 L56 L59 A60 F88 L130 V131 Y132 | L52-L139 HydrophobicContact CD1-CD1 4.13Å; L52-L139 HydrophobicContact CD1-CD2 4.41Å; L56-L139 HydrophobicContact CB-CD1 3.8Å; L56-L139 HydrophobicContact CB-CG 4.29Å; L56-L139 HydrophobicContact CD2-CB 4.38Å; L56-L139 HydrophobicContact CD2-CD1 4.27Å; L56-L139 HydrophobicContact CD2-CG 4.09Å; L56-L139 VanDerWaalsContact O-CD1 3.29Å; L56-L139 WeakPolarHBondContact O-CD1 3.46Å; L59-L139 HydrophobicContact CD2-CB 4.21Å; A60-L139 HydrophobicContact CB-CD1 4.28Å; F88-L139 HydrophobicContact CB-CD2 4.43Å; F88-L139 HydrophobicContact CD1-CD1 4.44Å; F88-L139 HydrophobicContact CD1-CD2 3.49Å; F88-L139 VanDerWaalsContact CD1-CD2 3.49Å; F88-L139 HydrophobicContact CE1-CD1 4.21Å; F88-L139 HydrophobicContact CE1-CD2 4.08Å; F88-L139 HydrophobicContact CG-CD2 4.18Å; L130-L139 HydrophobicContact CB-CD2 4.17Å; L130-L139 HydrophobicContact CD1-CB 4.37Å; L130-L139 HydrophobicContact CD1-CD1 4.3Å; V131-L139 WeakPolarHBondContact O-CA 3.22Å; Y132-L139 HydrophobicContact CD2-CD2 4.11Å; Y132-L139 HydrophobicContact CG-CD2 4.38Å |
| 140 | Q | 89.3 | Confident | 82.6 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 158.8 | -179.4 | -60.5 | -177.7 | 3.5 | 0 | 0 | 110.2 | L130 V131 | L130-Q140 CarbonylContact C-O 3.56Å; L130-Q140 WeakPolarHBondContact CA-O 3.37Å; V131-Q140 PolarHBondContact N-O 3.11Å; V131-Q140 PolarHBondContact O-N 2.86Å |
| 141 | A | 82.7 | Confident | 81.7 | Confident | 55 Ų | 55 | 81.7 Ų | 81.7 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 143.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q143 | A141-Q143 VanDerWaalsContact C-N 3.32Å; A141-Q143 PolarHBondContact O-N 3.28Å |
| 142 | D | 71.3 | Confident | 80.9 | Confident | 32 Ų | 32 | 84.8 Ų | 84.8 | 17% | 0.171 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -61.1 | -42.7 | -179.9 | -175.3 | 43.2 | 0 | 0 | 0 | 112.3 | R91 V131 | R91-D142 PolarHBondContact NH2-O 3.06Å; V131-D142 HydrophobicContact CG2-CB 3.49Å; V131-D142 VanDerWaalsContact CG2-CB 3.49Å; V131-D142 VanDerWaalsContact CG2-OD1 3.32Å; V131-D142 WeakPolarHBondContact CG2-OD1 3.38Å |
| 143 | Q | 67.3 | Low | 80 | Confident | 137 Ų | 137 | 89.4 Ų | 89.4 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -140.4 | 158.6 | -173.4 | -61.7 | 178.9 | 21.3 | 0 | 0 | 110 | A141 S145 | A141-Q143 VanDerWaalsContact C-N 3.32Å; A141-Q143 PolarHBondContact O-N 3.28Å; Q143-S145 PolarHBondContact O-N 3.27Å; Q143-S145 VanDerWaalsContact O-N 3.14Å |
| 144 | G | 65.9 | Low | 79.2 | Confident | 82 Ų | 82 | 89.5 Ų | 89.5 | 85% | 0.845 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 116.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 145 | S | 64.9 | Low | 78.5 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 143.6 | 172.9 | 53.6 | 0 | 0 | 0 | 0 | 110 | Q143 R147 | Q143-S145 PolarHBondContact O-N 3.27Å; Q143-S145 VanDerWaalsContact O-N 3.14Å; S145-R147 PolarHBondContact O-N 3.17Å |
| 146 | I | 69.2 | Low | 77.8 | Confident | 133 Ų | 133 | 93.7 Ų | 93.7 | 68% | 0.682 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 126.4 | 161.9 | -56.2 | 178.4 | 0 | 0 | 0 | 105.4 | E148 | I146-E148 VanDerWaalsContact C-N 3.3Å; I146-E148 HydrophobicContact CB-CG 4.18Å; I146-E148 HydrophobicContact CG2-CG 3.68Å; I146-E148 PolarHBondContact O-N 3.12Å |
| 147 | R | 74.5 | Confident | 77.2 | Confident | 140 Ų | 140 | 91.2 Ų | 91.2 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | trans | -82.3 | 82.8 | -175.9 | -70.9 | -179.2 | -177.2 | -167.7 | -3.5 | 108.6 | S145 Y152 | S145-R147 PolarHBondContact O-N 3.17Å; R147-Y152 HydrophobicContact CB-CD1 3.6Å; R147-Y152 HydrophobicContact CB-CD2 3.95Å; R147-Y152 HydrophobicContact CB-CE1 4.03Å; R147-Y152 HydrophobicContact CB-CE2 4.31Å; R147-Y152 HydrophobicContact CB-CG 3.57Å; R147-Y152 HydrophobicContact CG-CD1 4.03Å; R147-Y152 HydrophobicContact CG-CE1 4.01Å; R147-Y152 HydrophobicContact CG-CG 4.44Å; R147-Y152 WeakPolarHBondContact O-CB 3.31Å | ||
| 148 | E | 71.8 | Confident | 76.8 | Confident | 112 Ų | 112 | 88.7 Ų | 88.7 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | trans | -96.8 | 148.2 | 179.9 | -60.6 | -178.3 | -170.4 | 0 | 0 | 110.3 | I146 Y152 | I146-E148 VanDerWaalsContact C-N 3.3Å; I146-E148 HydrophobicContact CB-CG 4.18Å; I146-E148 HydrophobicContact CG2-CG 3.68Å; I146-E148 PolarHBondContact O-N 3.12Å; E148-Y152 VanDerWaalsContact O-CD2 3.25Å; E148-Y152 WeakPolarHBondContact O-CD2 3.42Å | ||
| 149 | G | 73.3 | Confident | 76.2 | Confident | 27 Ų | 27 | 96.5 Ų | 96.5 | 28% | 0.278 | 52% | 0.515 | S | S | . | . | S | Bend | trans | 115.5 | 158.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q151 Y152 Q153 | G149-Q151 PolarHBondContact O-N 3.38Å; G149-Y152 PolarHBondContact O-N 3.23Å; G149-Q153 WeakPolarHBondContact O-CG 3.5Å; G149-Q153 PolarHBondContact O-N 3.38Å |
| 150 | P | 74.2 | Confident | 75.6 | Confident | 114 Ų | 114 | 102.4 Ų | 102.4 | 74% | 0.74 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -57.7 | -33.1 | -170.8 | 22.4 | -33.5 | 0 | 0 | 0 | 113.6 | Y152 Q153 | P150-Y152 PolarHBondContact O-N 3.19Å; P150-Q153 PolarHBondContact O-N 3.09Å |
| 151 | Q | 73.7 | Confident | 74.8 | Confident | 108 Ų | 108 | 101.3 Ų | 101.3 | 51% | 0.505 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -68.1 | -11.1 | 177.4 | 71.3 | -79.6 | 16.1 | 0 | 0 | 114.7 | G149 R701 | G149-Q151 PolarHBondContact O-N 3.38Å; Q151-R701 PolarHBondContact O-NH1 3.22Å |
| 152 | Y | 77.3 | Confident | 74 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 31% | 0.306 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -114.6 | -8.9 | 177.9 | -57 | -70.6 | 0 | 0 | 0 | 113.3 | R147 E148 G149 P150 | R147-Y152 HydrophobicContact CB-CD1 3.6Å; R147-Y152 HydrophobicContact CB-CD2 3.95Å; R147-Y152 HydrophobicContact CB-CE1 4.03Å; R147-Y152 HydrophobicContact CB-CE2 4.31Å; R147-Y152 HydrophobicContact CB-CG 3.57Å; R147-Y152 HydrophobicContact CG-CD1 4.03Å; R147-Y152 HydrophobicContact CG-CE1 4.01Å; R147-Y152 HydrophobicContact CG-CG 4.44Å; R147-Y152 WeakPolarHBondContact O-CB 3.31Å; E148-Y152 VanDerWaalsContact O-CD2 3.25Å; E148-Y152 WeakPolarHBondContact O-CD2 3.42Å; G149-Y152 PolarHBondContact O-N 3.23Å; P150-Y152 PolarHBondContact O-N 3.19Å |
| 153 | Q | 77.3 | Confident | 73.9 | Confident | 113 Ų | 113 | 110.1 Ų | 110.1 | 53% | 0.528 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -79.7 | 155.2 | 174.5 | -60 | -54.9 | -41 | 0 | 0 | 111.1 | G149 P150 | G149-Q153 WeakPolarHBondContact O-CG 3.5Å; G149-Q153 PolarHBondContact O-N 3.38Å; P150-Q153 PolarHBondContact O-N 3.09Å |
| 154 | A | 76.3 | Confident | 73.6 | Confident | 50 Ų | 50 | 111.5 Ų | 111.5 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | trans | -78.3 | 126.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | I156 W704 | A154-I156 PolarHBondContact O-N 3.44Å; A154-W704 HydrophobicContact CB-CZ3 4.3Å | ||
| 155 | E | 77.7 | Confident | 73.2 | Confident | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | trans | -72.4 | 100.3 | 169.7 | -59.4 | 170.6 | 161.5 | 0 | 0 | 110.3 | E157 H702 W704 | E155-E157 PolarHBondContact O-N 3.43Å; E155-E157 VanDerWaalsContact O-N 3.1Å; E155-H702 IonicContact OE2-CE1 3.2Å; E155-H702 IonicContact OE2-ND1 3.67Å; E155-W704 VanDerWaalsContact C-CH2 3.49Å; E155-W704 HydrophobicContact CB-CH2 3.57Å; E155-W704 HydrophobicContact CB-CZ2 3.65Å; E155-W704 VanDerWaalsContact N-CH2 3.29Å; E155-W704 WeakPolarHBondContact O-CH2 3.09Å; E155-W704 WeakPolarHBondContact O-CZ2 3.38Å; E155-W704 WeakPolarHBondContact O-CZ3 3.49Å | ||
| 156 | I | 76.8 | Confident | 72.9 | Confident | 159 Ų | 159 | 117 Ų | 117 | 82% | 0.815 | 59% | 0.591 | S | S | * | * | trans | -76.3 | 106.5 | -178.3 | -53.9 | 174.5 | 0 | 0 | 0 | 109 | A154 | A154-I156 PolarHBondContact O-N 3.44Š| ||
| 157 | E | 80 | Confident | 72.6 | Confident | 78 Ų | 78 | 115.6 Ų | 115.6 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 150.2 | 170.7 | -72 | -80 | -179.1 | 0 | 0 | 110.3 | E155 W704 K727 | E155-E157 PolarHBondContact O-N 3.43Å; E155-E157 VanDerWaalsContact O-N 3.1Å; E157-W704 HydrophobicContact CG-CD2 4.37Å; E157-W704 HydrophobicContact CG-CG 4.26Å; E157-K727 IonicContact OE1-NZ 2.72Å; E157-K727 PolarHBondContact OE1-NZ 3.49Å; E157-K727 IonicContact OE2-NZ 3.95Å |
| 158 | P | 83.8 | Confident | 72.2 | Confident | 86 Ų | 86 | 112.7 Ų | 112.7 | 56% | 0.558 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -54 | 144.5 | 174.8 | -23.8 | 33.2 | 0 | 0 | 0 | 111.5 | H160 | P158-H160 PolarHBondContact O-CE1 2.95Å; P158-H160 VanDerWaalsContact O-CE1 3.3Å; P158-H160 PolarHBondContact O-N 3.49Å; P158-H160 VanDerWaalsContact O-N 3.16Å; P158-H160 PolarHBondContact O-ND1 3.36Å |
| 159 | Y | 80.4 | Confident | 71.9 | Confident | 204 Ų | 204 | 114.5 Ų | 114.5 | 80% | 0.8 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 117 | 176.4 | 176 | -110 | 0 | 0 | 0 | 110 | P161 | Y159-P161 HydrophobicContact CD1-CG 4.3Å; Y159-P161 HydrophobicContact CE1-CB 4.32Å; Y159-P161 HydrophobicContact CE1-CG 3.76Å |
| 160 | H | 79.3 | Confident | 71.7 | Confident | 140 Ų | 140 | 116.2 Ų | 116.2 | 65% | 0.648 | 61% | 0.61 | S | S | * | * | trans | -111.5 | 112 | 172.4 | -61.7 | 86.3 | 0 | 0 | 0 | 107.6 | P158 C162 | P158-H160 PolarHBondContact O-CE1 2.95Å; P158-H160 VanDerWaalsContact O-CE1 3.3Å; P158-H160 PolarHBondContact O-N 3.49Å; P158-H160 VanDerWaalsContact O-N 3.16Å; P158-H160 PolarHBondContact O-ND1 3.36Å; H160-C162 PolarHBondContact O-N 2.95Å; H160-C162 VanDerWaalsContact O-N 3.16Å | ||
| 161 | P | 73.3 | Confident | 71.5 | Confident | 86 Ų | 86 | 114.7 Ų | 114.7 | 56% | 0.558 | 60% | 0.595 | S | S | * | * | trans | -58.9 | 120.1 | 174.3 | -16.1 | 26.1 | 0 | 0 | 0 | 109.4 | Y159 L163 | Y159-P161 HydrophobicContact CD1-CG 4.3Å; Y159-P161 HydrophobicContact CE1-CB 4.32Å; Y159-P161 HydrophobicContact CE1-CG 3.76Å; P161-L163 PolarHBondContact O-N 3Å | ||
| 162 | C | 65.9 | Low | 71.6 | Confident | 99 Ų | 99 | 112.9 Ų | 112.9 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | trans | -73.4 | 112.1 | 172.9 | -164.2 | 0 | 0 | 0 | 0 | 108.2 | H160 E164 | H160-C162 PolarHBondContact O-N 2.95Å; H160-C162 VanDerWaalsContact O-N 3.16Å; C162-E164 PolarHBondContact O-N 2.57Å; C162-E164 PolarHBondContact SG-O 3.07Å | ||
| 163 | L | 68.5 | Low | 71.9 | Confident | 172 Ų | 172 | 112.5 Ų | 112.5 | 90% | 0.901 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -69.1 | -23.8 | 178.8 | -65.6 | 175 | 0 | 0 | 0 | 112.3 | P161 | P161-L163 PolarHBondContact O-N 3Š|
| 164 | E | 62 | Low | 72.3 | Confident | 166 Ų | 166 | 112.3 Ų | 112.3 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -104.7 | 99.8 | 177.9 | -68.8 | 178.4 | 178.1 | 0 | 0 | 109 | C162 S166 | C162-E164 PolarHBondContact O-N 2.57Å; C162-E164 PolarHBondContact SG-O 3.07Å; E164-S166 PolarHBondContact O-N 3.31Å |
| 165 | Y | 56.4 | Low | 72.9 | Confident | 212 Ų | 212 | 111.9 Ų | 111.9 | 83% | 0.831 | 58% | 0.577 | S | S | * | * | trans | -64.3 | 106.4 | 161.6 | -79.4 | -92.9 | 0 | 0 | 0 | 107.1 | A167 | Y165-A167 PolarHBondContact O-N 2.89Š| ||
| 166 | S | 59.5 | Low | 73.3 | Confident | 62 Ų | 62 | 108.2 Ų | 108.2 | 43% | 0.434 | 56% | 0.561 | S | S | . | * | trans | -60.2 | 116.8 | 166.7 | 60.1 | 0 | 0 | 0 | 0 | 107.3 | E164 D168 H172 | E164-S166 PolarHBondContact O-N 3.31Å; S166-D168 PolarHBondContact O-N 3.15Å; S166-H172 PolarHBondContact OG-CE1 2.99Å | ||
| 167 | A | 62 | Low | 73.9 | Confident | 103 Ų | 103 | 101.6 Ų | 101.6 | 85% | 0.851 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -62.7 | -9.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y165 E169 | Y165-A167 PolarHBondContact O-N 2.89Å; A167-E169 PolarHBondContact O-N 3.32Å; A167-E169 VanDerWaalsContact O-N 3.17Å |
| 168 | D | 66.3 | Low | 74.3 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | trans | -86.4 | 85.5 | -178 | -157 | -5.9 | 0 | 0 | 0 | 111.2 | S166 S170 I171 H172 | S166-D168 PolarHBondContact O-N 3.15Å; D168-S170 VanDerWaalsContact CG-OG 3.24Å; D168-S170 PolarHBondContact O-N 3.01Å; D168-S170 VanDerWaalsContact O-N 3.08Å; D168-S170 WeakPolarHBondContact OD1-CB 3.35Å; D168-S170 PolarHBondContact OD1-N 2.81Å; D168-S170 PolarHBondContact OD1-OG 2.88Å; D168-S170 PolarHBondContact OD2-OG 3.17Å; D168-I171 HydrophobicContact CB-CG1 4.37Å; D168-I171 WeakPolarHBondContact O-CG1 3.46Å; D168-I171 PolarHBondContact O-N 2.81Å; D168-H172 PolarHBondContact O-CE1 2.84Å; D168-H172 PolarHBondContact O-ND1 3.01Å | ||
| 169 | E | 66.1 | Low | 74.3 | Confident | 150 Ų | 150 | 99.9 Ų | 99.9 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -55.7 | -21 | 170.7 | -73.2 | -83.2 | 141.5 | 0 | 0 | 112.3 | A167 I171 H172 | A167-E169 PolarHBondContact O-N 3.32Å; A167-E169 VanDerWaalsContact O-N 3.17Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 2.87Å; E169-H172 PolarHBondContact O-N 2.83Å; E169-H172 VanDerWaalsContact O-N 3.11Å |
| 170 | S | 68.5 | Low | 74.5 | Confident | 64 Ų | 64 | 95.6 Ų | 95.6 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -69.4 | -22.3 | -175 | 80.6 | 0 | 0 | 0 | 0 | 114.5 | D168 H172 | D168-S170 VanDerWaalsContact CG-OG 3.24Å; D168-S170 PolarHBondContact O-N 3.01Å; D168-S170 VanDerWaalsContact O-N 3.08Å; D168-S170 WeakPolarHBondContact OD1-CB 3.35Å; D168-S170 PolarHBondContact OD1-N 2.81Å; D168-S170 PolarHBondContact OD1-OG 2.88Å; D168-S170 PolarHBondContact OD2-OG 3.17Å; S170-H172 VanDerWaalsContact C-N 3.35Å |
| 171 | I | 70.3 | Confident | 74.8 | Confident | 81 Ų | 81 | 90.1 Ų | 90.1 | 42% | 0.415 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -85.2 | -9.3 | 175.5 | 58.5 | 159.1 | 0 | 0 | 0 | 113 | D168 E169 I683 | D168-I171 HydrophobicContact CB-CG1 4.37Å; D168-I171 WeakPolarHBondContact O-CG1 3.46Å; D168-I171 PolarHBondContact O-N 2.81Å; E169-I171 VanDerWaalsContact C-N 3.28Å; E169-I171 PolarHBondContact O-N 2.87Å; I171-I683 VanDerWaalsContact O-CD1 3.3Å; I171-I683 WeakPolarHBondContact O-CD1 3.45Å |
| 172 | H | 76.7 | Confident | 75.5 | Confident | 71 Ų | 71 | 93.9 Ų | 93.9 | 33% | 0.329 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -93.9 | 157 | -175.8 | -63.8 | 89.1 | 0 | 0 | 0 | 112.8 | S166 D168 E169 S170 I683 | S166-H172 PolarHBondContact OG-CE1 2.99Å; D168-H172 PolarHBondContact O-CE1 2.84Å; D168-H172 PolarHBondContact O-ND1 3.01Å; E169-H172 PolarHBondContact O-N 2.83Å; E169-H172 VanDerWaalsContact O-N 3.11Å; S170-H172 VanDerWaalsContact C-N 3.35Å; H172-I683 WeakPolarHBondContact O-CD1 3.24Å |
| 173 | E | 82.3 | Confident | 76.7 | Confident | 70 Ų | 70 | 90.7 Ų | 90.7 | 33% | 0.327 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 143.8 | 167.8 | -70.1 | 79.4 | -172.1 | 0 | 0 | 111.3 | L175 Y677 A679 R687 | E173-L175 PolarHBondContact O-N 2.89Å; E173-Y677 HydrophobicContact CB-CD1 4.18Å; E173-Y677 HydrophobicContact CB-CG 4.42Å; E173-A679 HydrophobicContact CG-CB 4.36Å; E173-R687 IonicContact OE1-CZ 3.88Å; E173-R687 IonicContact OE1-NH1 3.39Å; E173-R687 IonicContact OE1-NH2 3.99Å; E173-R687 PolarHBondContact OE1-NH2 3.03Å |
| 174 | Q | 86.1 | Confident | 77.8 | Confident | 108 Ų | 108 | 85.4 Ų | 85.4 | 51% | 0.505 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 124 | 177.1 | -178 | -179.8 | 8.6 | 0 | 0 | 109.9 | L176 Y677 R678 T680 | Q174-L176 PolarHBondContact O-N 3.38Å; Q174-Y677 CarbonylContact O-C 3.49Å; Q174-Y677 WeakPolarHBondContact O-CA 3.49Å; Q174-R678 PolarHBondContact N-O 2.81Å; Q174-R678 PolarHBondContact O-N 3.39Å; Q174-T680 HydrophobicContact CB-CG2 4.04Å |
| 175 | L | 88.9 | Confident | 79.1 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 22% | 0.22 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 132.4 | 168.1 | -175.9 | 64.7 | 0 | 0 | 0 | 110.2 | E173 W177 R178 H237 Y677 | E173-L175 PolarHBondContact O-N 2.89Å; L175-W177 WeakPolarHBondContact CD1-O 3.48Å; L175-R178 HydrophobicContact CD1-CG 4.23Å; L175-R178 HydrophobicContact CD2-CG 3.88Å; L175-R178 HydrophobicContact CG-CG 4.45Å; L175-H237 PolarHBondContact O-NE2 3.13Å; L175-Y677 HydrophobicContact CB-CD1 4.24Å; L175-Y677 HydrophobicContact CB-CE1 3.93Å; L175-Y677 HydrophobicContact CD1-CD1 4.35Å; L175-Y677 HydrophobicContact CD1-CE1 3.83Å; L175-Y677 HydrophobicContact CD1-CE2 4.04Å; L175-Y677 HydrophobicContact CG-CE1 4.46Å |
| 176 | L | 86.4 | Confident | 80.8 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 22% | 0.215 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -25.5 | 178.1 | -68.1 | -174.9 | 0 | 0 | 0 | 113 | Q174 H237 M676 R678 | Q174-L176 PolarHBondContact O-N 3.38Å; L176-H237 WeakPolarHBondContact O-CB 3.15Å; L176-H237 PolarHBondContact O-ND1 3.22Å; L176-M676 HydrophobicContact CB-CB 4.24Å; L176-M676 PolarHBondContact N-O 2.82Å; L176-R678 HydrophobicContact CD1-CB 3.49Å; L176-R678 VanDerWaalsContact CD1-CB 3.49Å; L176-R678 HydrophobicContact CD1-CG 4.3Å; L176-R678 HydrophobicContact CD2-CB 4.5Å; L176-R678 HydrophobicContact CG-CB 3.92Å |
| 177 | W | 89.8 | Confident | 82.5 | Confident | 20 Ų | 20 | 75.6 Ų | 75.6 | 8% | 0.076 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 137 | 179.8 | -172.5 | -99.6 | 0 | 0 | 0 | 111.4 | L175 L188 L233 L236 Y241 A672 M676 | L175-W177 WeakPolarHBondContact CD1-O 3.48Å; W177-L188 HydrophobicContact CH2-CD1 4.39Å; W177-L188 HydrophobicContact CH2-CD2 4Å; W177-L188 HydrophobicContact CZ2-CD1 4.23Å; W177-L233 HydrophobicContact CH2-CD2 3.81Å; W177-L233 HydrophobicContact CZ3-CB 4.26Å; W177-L233 HydrophobicContact CZ3-CD2 3.72Å; W177-L236 HydrophobicContact CH2-CD2 4.21Å; W177-L236 HydrophobicContact CZ3-CD2 4.26Å; W177-Y241 WeakPolarHBondContact CA-OH 3.4Å; W177-Y241 HydrophobicContact CD2-CE1 4.33Å; W177-Y241 AromaticContact CE3-CE1 3.9Å; W177-Y241 HydrophobicContact CE3-CE1 3.9Å; W177-Y241 HydrophobicContact CH2-CE1 4.03Å; W177-Y241 HydrophobicContact CZ2-CE1 4.44Å; W177-Y241 HydrophobicContact CZ3-CD1 4.44Å; W177-Y241 AromaticContact CZ3-CE1 3.74Å; W177-Y241 HydrophobicContact CZ3-CE1 3.74Å; W177-A672 PolarHBondContact NE1-O 2.75Å; W177-M676 HydrophobicContact CB-CB 3.97Å; W177-M676 HydrophobicContact CB-CG 4.16Å; W177-M676 PolarHBondContact N-O 3.45Å; W177-M676 PolarHBondContact O-N 3.39Å |
| 178 | R | 87.8 | Confident | 83.9 | Confident | 82 Ų | 82 | 71.8 Ų | 71.8 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | trans | -116.2 | 120.5 | 175.4 | -100.1 | -176.3 | -76.8 | 110.7 | -6.4 | 108.7 | L175 D180 N181 Y241 L675 | L175-R178 HydrophobicContact CD1-CG 4.23Å; L175-R178 HydrophobicContact CD2-CG 3.88Å; L175-R178 HydrophobicContact CG-CG 4.45Å; R178-D180 VanDerWaalsContact C-N 3.33Å; R178-D180 WeakPolarHBondContact CB-OD1 3.24Å; R178-D180 VanDerWaalsContact CG-OD1 3.27Å; R178-D180 WeakPolarHBondContact CG-OD1 3.49Å; R178-N181 PolarHBondContact O-ND2 2.7Å; R178-Y241 HydrophobicContact CB-CE2 4.18Å; R178-Y241 PolarHBondContact N-OH 3.22Å; R178-L675 HydrophobicContact CG-CD2 4.26Å | ||
| 179 | P | 84.2 | Confident | 85.2 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 30% | 0.299 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -74.7 | -26.2 | 176.4 | 32.2 | -35.3 | 0 | 0 | 0 | 112.4 | N181 A672 S673 L675 | P179-N181 PolarHBondContact O-N 2.95Å; P179-A672 WeakPolarHBondContact CB-O 3.48Å; P179-S673 VanDerWaalsContact CB-O 3.23Å; P179-S673 WeakPolarHBondContact CB-O 3.31Å; P179-S673 WeakPolarHBondContact CG-O 3.4Å; P179-L675 HydrophobicContact CG-CD2 4.08Å; P179-L675 HydrophobicContact CG-CG 3.92Å |
| 180 | D | 83.6 | Confident | 86.6 | Confident | 115 Ų | 115 | 69.9 Ų | 69.9 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -79.9 | 31.6 | 178.9 | 64.2 | -28.7 | 0 | 0 | 0 | 113.2 | R178 | R178-D180 VanDerWaalsContact C-N 3.33Å; R178-D180 WeakPolarHBondContact CB-OD1 3.24Å; R178-D180 VanDerWaalsContact CG-OD1 3.27Å; R178-D180 WeakPolarHBondContact CG-OD1 3.49Å |
| 181 | N | 86.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 67 Ų | 67 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -81.9 | 163.6 | 176.9 | 66.1 | 62.2 | 0 | 0 | 0 | 111.3 | R178 P179 L183 Y241 | R178-N181 PolarHBondContact O-ND2 2.7Å; P179-N181 PolarHBondContact O-N 2.95Å; N181-L183 PolarHBondContact O-N 2.76Å; N181-L183 VanDerWaalsContact OD1-CB 3.26Å; N181-L183 WeakPolarHBondContact OD1-CB 3.37Å; N181-L183 PolarHBondContact OD1-N 3.18Å; N181-Y241 HydrophobicContact CB-CD1 3.61Å; N181-Y241 HydrophobicContact CB-CD2 4.08Å; N181-Y241 HydrophobicContact CB-CE1 3.94Å; N181-Y241 HydrophobicContact CB-CE2 4.4Å; N181-Y241 HydrophobicContact CB-CG 3.69Å |
| 182 | N | 88.3 | Confident | 89.1 | Confident | 166 Ų | 166 | 65 Ų | 65 | 89% | 0.888 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -81.1 | 14.7 | -177.3 | -63.4 | -19.7 | 0 | 0 | 0 | 113.7 | ||
| 183 | L | 90.7 | Very high | 90 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | trans | -98.8 | 135.3 | -176.8 | -58.3 | 173.8 | 0 | 0 | 0 | 110.6 | N181 D187 L188 L236 Y241 I243 | N181-L183 PolarHBondContact O-N 2.76Å; N181-L183 VanDerWaalsContact OD1-CB 3.26Å; N181-L183 WeakPolarHBondContact OD1-CB 3.37Å; N181-L183 PolarHBondContact OD1-N 3.18Å; L183-D187 HydrophobicContact CB-CB 4.39Å; L183-D187 HydrophobicContact CD2-CB 4.38Å; L183-L188 HydrophobicContact CB-CD2 4.32Å; L183-L188 HydrophobicContact CB-CG 4.25Å; L183-L188 HydrophobicContact CD1-CD2 3.69Å; L183-L188 HydrophobicContact CD1-CG 4.5Å; L183-L236 HydrophobicContact CD1-CD1 4.24Å; L183-L236 HydrophobicContact CD1-CD2 3.78Å; L183-L236 HydrophobicContact CD1-CG 4.31Å; L183-Y241 HydrophobicContact CD1-CD1 4.19Å; L183-I243 HydrophobicContact CD2-CD1 3.99Å; L183-I243 HydrophobicContact CD2-CG1 4.2Å | ||
| 184 | T | 91 | Very high | 90.7 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | trans | -76.9 | 157.7 | 170.7 | 67.3 | 0 | 0 | 0 | 0 | 110.4 | S186 D187 L188 | T184-S186 PolarHBondContact O-N 3.12Å; T184-S186 PolarHBondContact OG1-OG 3.21Å; T184-D187 WeakPolarHBondContact CB-OD2 3.48Å; T184-D187 PolarHBondContact N-OD2 2.82Å; T184-D187 WeakPolarHBondContact O-CB 3.28Å; T184-D187 PolarHBondContact O-N 2.99Å; T184-D187 PolarHBondContact OG1-N 3.11Å; T184-D187 PolarHBondContact OG1-OD2 3.06Å; T184-L188 PolarHBondContact O-N 3.02Å; T184-L188 VanDerWaalsContact O-N 3.17Å | ||
| 185 | P | 89.3 | Confident | 91.1 | Very high | 101 Ų | 101 | 63 Ų | 63 | 66% | 0.656 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -53.3 | -36.8 | 171.9 | -27.4 | 35.6 | 0 | 0 | 0 | 113 | L188 D189 | P185-L188 PolarHBondContact O-N 2.93Å; P185-D189 PolarHBondContact O-N 2.76Å |
| 186 | S | 93.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 66 Ų | 66 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.2 | -34 | 176 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | T184 L188 S190 | T184-S186 PolarHBondContact O-N 3.12Å; T184-S186 PolarHBondContact OG1-OG 3.21Å; S186-L188 VanDerWaalsContact C-N 3.34Å; S186-S190 WeakPolarHBondContact O-CB 3.36Å; S186-S190 PolarHBondContact O-N 2.78Å; S186-S190 PolarHBondContact O-OG 3.06Å |
| 187 | D | 94.4 | Very high | 91.7 | Very high | 61 Ų | 61 | 67 Ų | 67 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 175.3 | -62.3 | -41.7 | 0 | 0 | 0 | 110.4 | L183 T184 S190 Y191 I243 | L183-D187 HydrophobicContact CB-CB 4.39Å; L183-D187 HydrophobicContact CD2-CB 4.38Å; T184-D187 WeakPolarHBondContact CB-OD2 3.48Å; T184-D187 PolarHBondContact N-OD2 2.82Å; T184-D187 WeakPolarHBondContact O-CB 3.28Å; T184-D187 PolarHBondContact O-N 2.99Å; T184-D187 PolarHBondContact OG1-N 3.11Å; T184-D187 PolarHBondContact OG1-OD2 3.06Å; D187-S190 PolarHBondContact O-N 2.79Å; D187-Y191 VanDerWaalsContact O-CB 3.29Å; D187-Y191 WeakPolarHBondContact O-CB 3.33Å; D187-Y191 PolarHBondContact O-N 3.31Å; D187-I243 HydrophobicContact CB-CD1 4Å |
| 188 | L | 92.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 176.3 | -69.6 | 176.7 | 0 | 0 | 0 | 111.8 | W177 L183 T184 P185 S186 S190 Y191 L192 L236 | W177-L188 HydrophobicContact CH2-CD1 4.39Å; W177-L188 HydrophobicContact CH2-CD2 4Å; W177-L188 HydrophobicContact CZ2-CD1 4.23Å; L183-L188 HydrophobicContact CB-CD2 4.32Å; L183-L188 HydrophobicContact CB-CG 4.25Å; L183-L188 HydrophobicContact CD1-CD2 3.69Å; L183-L188 HydrophobicContact CD1-CG 4.5Å; T184-L188 PolarHBondContact O-N 3.02Å; T184-L188 VanDerWaalsContact O-N 3.17Å; P185-L188 PolarHBondContact O-N 2.93Å; S186-L188 VanDerWaalsContact C-N 3.34Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-S190 PolarHBondContact O-N 3.13Å; L188-Y191 PolarHBondContact O-N 2.92Å; L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.31Å; L188-L192 PolarHBondContact O-N 2.97Å; L188-L236 HydrophobicContact CD2-CD2 3.58Å |
| 189 | D | 93.9 | Very high | 92.1 | Very high | 112 Ų | 112 | 63.8 Ų | 63.8 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 176.9 | -75.2 | -21.7 | 0 | 0 | 0 | 111.6 | P185 L192 L193 | P185-D189 PolarHBondContact O-N 2.76Å; D189-L192 PolarHBondContact O-N 3.02Å; D189-L193 WeakPolarHBondContact O-CB 3.42Å; D189-L193 PolarHBondContact O-N 3.34Å |
| 190 | S | 95.3 | Very high | 92.5 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 53% | 0.531 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | S186 D187 L188 L193 L194 | S186-S190 WeakPolarHBondContact O-CB 3.36Å; S186-S190 PolarHBondContact O-N 2.78Å; S186-S190 PolarHBondContact O-OG 3.06Å; D187-S190 PolarHBondContact O-N 2.79Å; L188-S190 VanDerWaalsContact C-N 3.33Å; L188-S190 PolarHBondContact O-N 3.13Å; S190-L193 PolarHBondContact O-N 3.17Å; S190-L194 PolarHBondContact O-N 2.65Å |
| 191 | Y | 96.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175 | 171 | -111.9 | 0 | 0 | 0 | 111.7 | D187 L188 L193 L194 I195 A232 L236 I243 A246 L247 L250 | D187-Y191 VanDerWaalsContact O-CB 3.29Å; D187-Y191 WeakPolarHBondContact O-CB 3.33Å; D187-Y191 PolarHBondContact O-N 3.31Å; L188-Y191 PolarHBondContact O-N 2.92Å; Y191-L193 VanDerWaalsContact C-N 3.33Å; Y191-L193 PolarHBondContact O-N 2.89Å; Y191-L194 WeakPolarHBondContact O-CB 3.4Å; Y191-L194 PolarHBondContact O-N 3.03Å; Y191-L194 VanDerWaalsContact O-N 3.17Å; Y191-I195 HydrophobicContact CD2-CD1 4.29Å; Y191-I195 HydrophobicContact CD2-CG1 4.11Å; Y191-I195 HydrophobicContact CE1-CG1 4.2Å; Y191-I195 HydrophobicContact CE2-CD1 3.74Å; Y191-I195 HydrophobicContact CE2-CG1 3.71Å; Y191-I195 WeakPolarHBondContact O-CG1 3.29Å; Y191-I195 PolarHBondContact O-N 2.87Å; Y191-A232 HydrophobicContact CE1-CB 3.9Å; Y191-A232 PolarHBondContact OH-O 3.12Å; Y191-L236 HydrophobicContact CD1-CD2 4Å; Y191-L236 HydrophobicContact CE1-CB 3.92Å; Y191-L236 HydrophobicContact CE1-CD1 4.38Å; Y191-L236 HydrophobicContact CE1-CD2 3.9Å; Y191-L236 HydrophobicContact CE1-CG 4.3Å; Y191-I243 HydrophobicContact CD2-CG1 4.48Å; Y191-I243 HydrophobicContact CD2-CG2 3.94Å; Y191-A246 HydrophobicContact CE2-CB 3.98Å; Y191-L247 HydrophobicContact CD2-CD2 4.43Å; Y191-L247 HydrophobicContact CD2-CG 4.49Å; Y191-L247 HydrophobicContact CE2-CD2 4.25Å; Y191-L247 HydrophobicContact CE2-CG 4.3Å; Y191-L250 HydrophobicContact CE2-CD1 4.45Å; Y191-L250 VanDerWaalsContact OH-CD1 3.31Å; Y191-L250 WeakPolarHBondContact OH-CD1 3.08Å |
| 192 | L | 95.2 | Very high | 93 | Very high | 39 Ų | 39 | 60.3 Ų | 60.3 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 179 | -70.9 | 174.3 | 0 | 0 | 0 | 112.1 | L188 D189 L194 I195 R196 H229 A232 L233 | L188-L192 WeakPolarHBondContact O-CB 3.38Å; L188-L192 VanDerWaalsContact O-CG 3.31Å; L188-L192 WeakPolarHBondContact O-CG 3.31Å; L188-L192 PolarHBondContact O-N 2.97Å; D189-L192 PolarHBondContact O-N 3.02Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-I195 PolarHBondContact O-N 2.94Å; L192-R196 WeakPolarHBondContact O-CB 3.43Å; L192-R196 PolarHBondContact O-N 2.79Å; L192-H229 HydrophobicContact CD2-CB 4.3Å; L192-A232 HydrophobicContact CD2-CB 4.15Å; L192-L233 HydrophobicContact CD2-CD2 4.46Å |
| 193 | L | 95.5 | Very high | 93 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 64% | 0.644 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 173.5 | -178.4 | 61.5 | 0 | 0 | 0 | 111.6 | D189 S190 Y191 R196 S197 | D189-L193 WeakPolarHBondContact O-CB 3.42Å; D189-L193 PolarHBondContact O-N 3.34Å; S190-L193 PolarHBondContact O-N 3.17Å; Y191-L193 VanDerWaalsContact C-N 3.33Å; Y191-L193 PolarHBondContact O-N 2.89Å; L193-R196 PolarHBondContact O-N 2.69Å; L193-S197 PolarHBondContact O-N 3.31Å; L193-S197 VanDerWaalsContact O-N 3.07Å |
| 194 | L | 95.3 | Very high | 92.7 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 42% | 0.419 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -39 | 176.1 | -177.2 | 59.3 | 0 | 0 | 0 | 112.2 | S190 Y191 L192 R196 S197 L198 L247 | S190-L194 PolarHBondContact O-N 2.65Å; Y191-L194 WeakPolarHBondContact O-CB 3.4Å; Y191-L194 PolarHBondContact O-N 3.03Å; Y191-L194 VanDerWaalsContact O-N 3.17Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.14Å; L194-S197 PolarHBondContact O-N 3.44Å; L194-S197 PolarHBondContact O-OG 3.47Å; L194-L198 WeakPolarHBondContact O-CB 3.02Å; L194-L198 PolarHBondContact O-N 3.3Å; L194-L247 HydrophobicContact CD2-CD1 3.45Å; L194-L247 VanDerWaalsContact CD2-CD1 3.45Å; L194-L247 HydrophobicContact CD2-CD2 3.44Å; L194-L247 VanDerWaalsContact CD2-CD2 3.44Å; L194-L247 HydrophobicContact CD2-CG 4.09Å; L194-L247 HydrophobicContact CG-CD2 3.81Å |
| 195 | I | 95.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 175.4 | -60.7 | -41.6 | 0 | 0 | 0 | 111.4 | Y191 L192 S197 L198 A199 T228 A232 L247 L250 | Y191-I195 HydrophobicContact CD2-CD1 4.29Å; Y191-I195 HydrophobicContact CD2-CG1 4.11Å; Y191-I195 HydrophobicContact CE1-CG1 4.2Å; Y191-I195 HydrophobicContact CE2-CD1 3.74Å; Y191-I195 HydrophobicContact CE2-CG1 3.71Å; Y191-I195 WeakPolarHBondContact O-CG1 3.29Å; Y191-I195 PolarHBondContact O-N 2.87Å; L192-I195 PolarHBondContact O-N 2.94Å; I195-S197 VanDerWaalsContact C-N 3.33Å; I195-S197 PolarHBondContact O-N 3.4Å; I195-L198 HydrophobicContact CD1-CD2 4.23Å; I195-L198 PolarHBondContact O-N 3.24Å; I195-A199 WeakPolarHBondContact O-CB 3.44Å; I195-A199 PolarHBondContact O-N 3.2Å; I195-T228 HydrophobicContact CG2-CG2 4.04Å; I195-A232 HydrophobicContact CB-CB 4.14Å; I195-A232 HydrophobicContact CG1-CB 3.92Å; I195-A232 HydrophobicContact CG2-CB 3.85Å; I195-L247 HydrophobicContact CD1-CD2 3.43Å; I195-L247 VanDerWaalsContact CD1-CD2 3.43Å; I195-L250 HydrophobicContact CD1-CD1 3.29Å; I195-L250 HydrophobicContact CG1-CD1 3.82Å; I195-L250 HydrophobicContact CG2-CD1 4.44Å |
| 196 | R | 94 | Very high | 91.7 | Very high | 104 Ų | 104 | 55.8 Ų | 55.8 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 173.8 | -178.1 | 176.2 | 175.8 | 161.9 | -2 | 111.9 | L192 L193 L194 A199 T200 A220 A223 | L192-R196 WeakPolarHBondContact O-CB 3.43Å; L192-R196 PolarHBondContact O-N 2.79Å; L193-R196 PolarHBondContact O-N 2.69Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.14Å; R196-A199 PolarHBondContact O-N 2.89Å; R196-T200 WeakPolarHBondContact O-CB 3.38Å; R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 3.11Å; R196-A220 PolarHBondContact NH2-O 3.21Å; R196-A223 HydrophobicContact CG-CB 4.19Å; R196-A223 WeakPolarHBondContact O-CB 3.48Å |
| 197 | S | 94.1 | Very high | 90.6 | Very high | 62 Ų | 62 | 54.9 Ų | 54.9 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 176.3 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | L193 L194 I195 A199 T200 L201 | L193-S197 PolarHBondContact O-N 3.31Å; L193-S197 VanDerWaalsContact O-N 3.07Å; L194-S197 PolarHBondContact O-N 3.44Å; L194-S197 PolarHBondContact O-OG 3.47Å; I195-S197 VanDerWaalsContact C-N 3.33Å; I195-S197 PolarHBondContact O-N 3.4Å; S197-A199 VanDerWaalsContact C-N 3.29Å; S197-A199 PolarHBondContact O-N 3.12Å; S197-T200 WeakPolarHBondContact O-CB 3.47Å; S197-T200 PolarHBondContact O-N 2.86Å; S197-T200 VanDerWaalsContact O-N 3.16Å; S197-L201 PolarHBondContact O-N 2.96Å |
| 198 | L | 93.6 | Very high | 89.1 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 174.4 | -171.9 | 72.5 | 0 | 0 | 0 | 112 | L194 I195 L201 G202 L250 A251 P256 | L194-L198 WeakPolarHBondContact O-CB 3.02Å; L194-L198 PolarHBondContact O-N 3.3Å; I195-L198 HydrophobicContact CD1-CD2 4.23Å; I195-L198 PolarHBondContact O-N 3.24Å; L198-L201 PolarHBondContact O-N 2.88Å; L198-G202 PolarHBondContact O-N 2.86Å; L198-L250 HydrophobicContact CD2-CB 3.96Å; L198-A251 HydrophobicContact CD1-CB 3.97Å; L198-A251 HydrophobicContact CD2-CB 4.03Å; L198-P256 HydrophobicContact CD1-CB 4.14Å; L198-P256 HydrophobicContact CD1-CG 3.67Å; L198-P256 HydrophobicContact CG-CB 3.94Å; L198-P256 HydrophobicContact CG-CG 4.01Å |
| 199 | A | 93.2 | Very high | 87.7 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73.6 | -28.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I195 R196 S197 R203 A223 T228 L258 | I195-A199 WeakPolarHBondContact O-CB 3.44Å; I195-A199 PolarHBondContact O-N 3.2Å; R196-A199 PolarHBondContact O-N 2.89Å; S197-A199 VanDerWaalsContact C-N 3.29Å; S197-A199 PolarHBondContact O-N 3.12Å; A199-R203 WeakPolarHBondContact O-CG 3.5Å; A199-R203 PolarHBondContact O-N 3.16Å; A199-R203 PolarHBondContact O-NH1 3.12Å; A199-A223 HydrophobicContact CB-CB 3.86Å; A199-T228 HydrophobicContact CB-CG2 3.52Å; A199-L258 HydrophobicContact CB-CD2 3.96Å |
| 200 | T | 92.1 | Very high | 86.3 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.4 | -45 | 170.3 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | R196 S197 R203 L216 A220 A223 | R196-T200 WeakPolarHBondContact O-CB 3.38Å; R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 3.11Å; S197-T200 WeakPolarHBondContact O-CB 3.47Å; S197-T200 PolarHBondContact O-N 2.86Å; S197-T200 VanDerWaalsContact O-N 3.16Å; T200-R203 PolarHBondContact O-N 3.14Å; T200-L216 HydrophobicContact CG2-CD1 3.92Å; T200-A220 HydrophobicContact CG2-CB 4.26Å; T200-A223 WeakPolarHBondContact OG1-CB 3.27Å |
| 201 | L | 90.3 | Very high | 84.9 | Confident | 86 Ų | 86 | 59 Ų | 59 | 45% | 0.45 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 175.2 | 175.2 | 64 | 0 | 0 | 0 | 111.5 | S197 L198 R203 S204 F205 P256 | S197-L201 PolarHBondContact O-N 2.96Å; L198-L201 PolarHBondContact O-N 2.88Å; L201-R203 PolarHBondContact O-N 3.37Å; L201-S204 VanDerWaalsContact O-CB 3.32Å; L201-S204 WeakPolarHBondContact O-CB 3.27Å; L201-S204 PolarHBondContact O-N 2.81Å; L201-S204 PolarHBondContact O-OG 2.83Å; L201-F205 HydrophobicContact CD1-CE2 3.9Å; L201-F205 HydrophobicContact CD1-CZ 4.43Å; L201-F205 HydrophobicContact CG-CE2 3.9Å; L201-F205 WeakPolarHBondContact O-CD2 3.25Å; L201-P256 HydrophobicContact CD2-CG 4.35Å; L201-P256 HydrophobicContact CG-CG 4.41Å |
| 202 | G | 90 | Very high | 83.2 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -53.7 | -39.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L198 S204 F205 Y206 | L198-G202 PolarHBondContact O-N 2.86Å; G202-S204 PolarHBondContact O-N 2.86Å; G202-F205 PolarHBondContact O-N 3.01Å; G202-F205 VanDerWaalsContact O-N 3.11Å; G202-Y206 WeakPolarHBondContact O-CD2 3.38Å |
| 203 | R | 88.3 | Confident | 81.6 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.8 | -23.6 | -179.4 | -72.9 | 174.8 | 171.9 | 81.2 | -3.5 | 112.9 | A199 T200 L201 F205 Y206 L211 A222 L258 E264 | A199-R203 WeakPolarHBondContact O-CG 3.5Å; A199-R203 PolarHBondContact O-N 3.16Å; A199-R203 PolarHBondContact O-NH1 3.12Å; T200-R203 PolarHBondContact O-N 3.14Å; L201-R203 PolarHBondContact O-N 3.37Å; R203-F205 PolarHBondContact O-N 2.88Å; R203-Y206 PolarHBondContact O-N 3.33Å; R203-L211 HydrophobicContact CB-CD1 4.23Å; R203-L211 HydrophobicContact CG-CD1 4.2Å; R203-A222 PolarHBondContact NH2-O 2.74Å; R203-L258 HydrophobicContact CB-CD1 4.33Å; R203-L258 HydrophobicContact CG-CD1 3.44Å; R203-L258 VanDerWaalsContact CG-CD1 3.44Å; R203-E264 IonicContact CZ-OE1 2.73Å; R203-E264 IonicContact CZ-OE2 3.44Å; R203-E264 IonicContact NE-OE1 3.51Å; R203-E264 PolarHBondContact NE-OE1 3.03Å; R203-E264 IonicContact NE-OE2 2.76Å; R203-E264 IonicContact NH2-OE1 2.81Å; R203-E264 IonicContact NH2-OE2 3.11Å; R203-E264 PolarHBondContact NH2-OE2 2.84Å |
| 204 | S | 84 | Confident | 80.1 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.9 | -24.1 | 173.9 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | L201 G202 | L201-S204 VanDerWaalsContact O-CB 3.32Å; L201-S204 WeakPolarHBondContact O-CB 3.27Å; L201-S204 PolarHBondContact O-N 2.81Å; L201-S204 PolarHBondContact O-OG 2.83Å; G202-S204 PolarHBondContact O-N 2.86Å |
| 205 | F | 81.8 | Confident | 79.5 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.2 | 177.4 | -65.2 | -74 | 0 | 0 | 0 | 113.6 | L201 G202 R203 | L201-F205 HydrophobicContact CD1-CE2 3.9Å; L201-F205 HydrophobicContact CD1-CZ 4.43Å; L201-F205 HydrophobicContact CG-CE2 3.9Å; L201-F205 WeakPolarHBondContact O-CD2 3.25Å; G202-F205 PolarHBondContact O-N 3.01Å; G202-F205 VanDerWaalsContact O-N 3.11Å; R203-F205 PolarHBondContact O-N 2.88Å |
| 206 | Y | 77.7 | Confident | 79.1 | Confident | 73 Ų | 73 | 77.7 Ų | 77.7 | 29% | 0.286 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -74.5 | 140.1 | 179.3 | -88.9 | -104 | 0 | 0 | 0 | 111.1 | G202 R203 L211 L258 L260 | G202-Y206 WeakPolarHBondContact O-CD2 3.38Å; R203-Y206 PolarHBondContact O-N 3.33Å; Y206-L211 HydrophobicContact CD1-CD1 4.2Å; Y206-L211 HydrophobicContact CD1-CG 4.35Å; Y206-L211 HydrophobicContact CD2-CD1 4.36Å; Y206-L211 HydrophobicContact CG-CD1 3.74Å; Y206-L211 HydrophobicContact CG-CG 4.31Å; Y206-L258 HydrophobicContact CD2-CD1 3.93Å; Y206-L258 HydrophobicContact CE2-CB 4.14Å; Y206-L258 HydrophobicContact CE2-CD1 3.46Å; Y206-L258 VanDerWaalsContact CE2-CD1 3.46Å; Y206-L258 HydrophobicContact CE2-CG 3.91Å; Y206-L260 HydrophobicContact CD1-CD1 4.35Å; Y206-L260 HydrophobicContact CE1-CD1 3.81Å; Y206-L260 HydrophobicContact CE1-CG 4.46Å |
| 207 | P | 69.9 | Low | 78.8 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 34% | 0.338 | 40% | 0.403 | S | S | . | . | trans | -57 | 134.8 | 175.5 | -23.5 | 31.6 | 0 | 0 | 0 | 111.7 | H209 I210 L211 | P207-H209 WeakPolarHBondContact CB-CE1 3.19Å; P207-H209 WeakPolarHBondContact CB-ND1 3.43Å; P207-H209 PolarHBondContact O-N 3.17Å; P207-I210 HydrophobicContact CB-CD1 4.16Å; P207-I210 HydrophobicContact CB-CG1 4.2Å; P207-I210 HydrophobicContact CG-CD1 3.89Å; P207-I210 HydrophobicContact CG-CG1 4.46Å; P207-I210 PolarHBondContact O-N 3.28Å; P207-L211 PolarHBondContact O-N 3.19Å | ||
| 208 | P | 62.5 | Low | 78.4 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 68% | 0.675 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.6 | -173.9 | 26.5 | -35.8 | 0 | 0 | 0 | 114.1 | ||
| 209 | H | 64.5 | Low | 78.1 | Confident | 158 Ų | 158 | 78.4 Ų | 78.4 | 73% | 0.731 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17.1 | 173.8 | 63.5 | -92.4 | 0 | 0 | 0 | 113 | P207 | P207-H209 WeakPolarHBondContact CB-CE1 3.19Å; P207-H209 WeakPolarHBondContact CB-ND1 3.43Å; P207-H209 PolarHBondContact O-N 3.17Å |
| 210 | I | 64.4 | Low | 78 | Confident | 88 Ų | 88 | 79.6 Ų | 79.6 | 45% | 0.451 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -46.2 | 179 | -58.6 | -178.2 | 0 | 0 | 0 | 109.7 | P207 | P207-I210 HydrophobicContact CB-CD1 4.16Å; P207-I210 HydrophobicContact CB-CG1 4.2Å; P207-I210 HydrophobicContact CG-CD1 3.89Å; P207-I210 HydrophobicContact CG-CG1 4.46Å; P207-I210 PolarHBondContact O-N 3.28Å |
| 211 | L | 64.7 | Low | 77.9 | Confident | 9 Ų | 9 | 80.8 Ų | 80.8 | 5% | 0.047 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 124.5 | 177.3 | -61.5 | -179.4 | 0 | 0 | 0 | 109.5 | R203 Y206 P207 Q213 L260 E264 | R203-L211 HydrophobicContact CB-CD1 4.23Å; R203-L211 HydrophobicContact CG-CD1 4.2Å; Y206-L211 HydrophobicContact CD1-CD1 4.2Å; Y206-L211 HydrophobicContact CD1-CG 4.35Å; Y206-L211 HydrophobicContact CD2-CD1 4.36Å; Y206-L211 HydrophobicContact CG-CD1 3.74Å; Y206-L211 HydrophobicContact CG-CG 4.31Å; P207-L211 PolarHBondContact O-N 3.19Å; L211-Q213 PolarHBondContact O-N 3.32Å; L211-L260 HydrophobicContact CD2-CD1 4.03Å; L211-L260 HydrophobicContact CD2-CD2 4.23Å; L211-E264 HydrophobicContact CD2-CB 4.14Å |
| 212 | R | 60.5 | Low | 77.8 | Confident | 207 Ų | 207 | 77 Ų | 77 | 78% | 0.781 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 94.4 | 176.6 | -173.4 | 174.5 | 172.1 | 150.1 | -3.3 | 109.8 | ||
| 213 | Q | 61.1 | Low | 77.9 | Confident | 164 Ų | 164 | 77 Ų | 77 | 77% | 0.766 | 41% | 0.405 | S | S | * | . | trans | 39.5 | 77.7 | 168.9 | -63 | -173.9 | -8.4 | 0 | 0 | 115.2 | L211 N215 | L211-Q213 PolarHBondContact O-N 3.32Å; Q213-N215 PolarHBondContact O-N 2.97Å | ||
| 214 | P | 65.6 | Low | 78.1 | Confident | 49 Ų | 49 | 78.1 Ų | 78.1 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | trans | -75.4 | 88.8 | 178 | 29.2 | -31.1 | 0 | 0 | 0 | 110.3 | S219 | P214-S219 WeakPolarHBondContact CB-OG 3.19Š| ||
| 215 | N | 82 | Confident | 78.4 | Confident | 86 Ų | 86 | 77.6 Ų | 77.6 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | trans | -64.6 | 160.7 | 152.3 | 63.6 | 28.2 | 0 | 0 | 0 | 108.3 | Q213 T217 M218 S219 | Q213-N215 PolarHBondContact O-N 2.97Å; N215-T217 PolarHBondContact O-N 3.4Å; N215-T217 PolarHBondContact OD1-N 3.06Å; N215-T217 PolarHBondContact OD1-OG1 3Å; N215-M218 PolarHBondContact O-N 2.95Å; N215-M218 WeakPolarHBondContact OD1-CB 3.5Å; N215-M218 WeakPolarHBondContact OD1-CG 3.48Å; N215-M218 PolarHBondContact OD1-N 2.77Å; N215-S219 PolarHBondContact O-N 3.04Å | ||
| 216 | L | 86.5 | Confident | 78.9 | Confident | 136 Ų | 136 | 78.3 Ų | 78.3 | 71% | 0.712 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -55.9 | -38.2 | -175.5 | 179.2 | 60.3 | 0 | 0 | 0 | 112.3 | T200 S219 A220 | T200-L216 HydrophobicContact CG2-CD1 3.92Å; L216-S219 PolarHBondContact O-N 3.43Å; L216-A220 WeakPolarHBondContact O-CB 3.44Å; L216-A220 PolarHBondContact O-N 3.34Å |
| 217 | T | 88 | Confident | 79.6 | Confident | 101 Ų | 101 | 76.1 Ų | 76.1 | 62% | 0.62 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | -178.4 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | N215 A220 A221 | N215-T217 PolarHBondContact O-N 3.4Å; N215-T217 PolarHBondContact OD1-N 3.06Å; N215-T217 PolarHBondContact OD1-OG1 3Å; T217-A220 PolarHBondContact O-N 3.34Å; T217-A221 WeakPolarHBondContact O-CB 3.45Å; T217-A221 PolarHBondContact O-N 3.14Å |
| 218 | M | 85 | Confident | 80.7 | Confident | 105 Ų | 105 | 74.1 Ų | 74.1 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.9 | -70 | -63 | -67.4 | 0 | 0 | 111.8 | N215 A221 A222 | N215-M218 PolarHBondContact O-N 2.95Å; N215-M218 WeakPolarHBondContact OD1-CB 3.5Å; N215-M218 WeakPolarHBondContact OD1-CG 3.48Å; N215-M218 PolarHBondContact OD1-N 2.77Å; M218-A221 PolarHBondContact O-N 3.05Å; M218-A222 WeakPolarHBondContact O-CB 3.31Å; M218-A222 PolarHBondContact O-N 2.74Å |
| 219 | S | 88.8 | Confident | 82.2 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 173.3 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | P214 N215 L216 A221 A222 A223 | P214-S219 WeakPolarHBondContact CB-OG 3.19Å; N215-S219 PolarHBondContact O-N 3.04Å; L216-S219 PolarHBondContact O-N 3.43Å; S219-A221 VanDerWaalsContact C-N 3.3Å; S219-A221 PolarHBondContact O-N 3.08Å; S219-A222 PolarHBondContact O-N 3Å; S219-A223 VanDerWaalsContact O-CB 3.28Å; S219-A223 WeakPolarHBondContact O-CB 3.42Å; S219-A223 PolarHBondContact O-N 2.84Å |
| 220 | A | 90.4 | Very high | 83.6 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.1 | -33.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R196 T200 L216 T217 A224 | R196-A220 PolarHBondContact NH2-O 3.21Å; T200-A220 HydrophobicContact CG2-CB 4.26Å; L216-A220 WeakPolarHBondContact O-CB 3.44Å; L216-A220 PolarHBondContact O-N 3.34Å; T217-A220 PolarHBondContact O-N 3.34Å; A220-A224 PolarHBondContact O-N 2.81Å |
| 221 | A | 89.2 | Confident | 85 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.4 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T217 M218 S219 A224 | T217-A221 WeakPolarHBondContact O-CB 3.45Å; T217-A221 PolarHBondContact O-N 3.14Å; M218-A221 PolarHBondContact O-N 3.05Å; S219-A221 VanDerWaalsContact C-N 3.3Å; S219-A221 PolarHBondContact O-N 3.08Å; A221-A224 WeakPolarHBondContact O-CB 3.25Å; A221-A224 PolarHBondContact O-N 3.34Å |
| 222 | A | 89.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R203 M218 S219 A224 R225 E264 | R203-A222 PolarHBondContact NH2-O 2.74Å; M218-A222 WeakPolarHBondContact O-CB 3.31Å; M218-A222 PolarHBondContact O-N 2.74Å; S219-A222 PolarHBondContact O-N 3Å; A222-A224 PolarHBondContact O-N 3.21Å; A222-R225 WeakPolarHBondContact O-CB 3.17Å; A222-R225 PolarHBondContact O-N 2.86Å; A222-E264 HydrophobicContact CB-CG 4.48Å |
| 223 | A | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -22.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R196 A199 T200 S219 R225 T228 | R196-A223 HydrophobicContact CG-CB 4.19Å; R196-A223 WeakPolarHBondContact O-CB 3.48Å; A199-A223 HydrophobicContact CB-CB 3.86Å; T200-A223 WeakPolarHBondContact OG1-CB 3.27Å; S219-A223 VanDerWaalsContact O-CB 3.28Å; S219-A223 WeakPolarHBondContact O-CB 3.42Å; S219-A223 PolarHBondContact O-N 2.84Å; A223-R225 VanDerWaalsContact C-N 3.31Å; A223-T228 WeakPolarHBondContact O-CB 3.3Å; A223-T228 WeakPolarHBondContact O-CG2 3.49Å; A223-T228 PolarHBondContact O-OG1 2.77Å |
| 224 | A | 92.2 | Very high | 89.5 | Confident | 26 Ų | 26 | 53 Ų | 53 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | A220 A221 A222 H229 | A220-A224 PolarHBondContact O-N 2.81Å; A221-A224 WeakPolarHBondContact O-CB 3.25Å; A221-A224 PolarHBondContact O-N 3.34Å; A222-A224 PolarHBondContact O-N 3.21Å; A224-H229 PolarHBondContact O-CE1 3.05Å; A224-H229 VanDerWaalsContact O-CE1 3.29Å |
| 225 | R | 91 | Very high | 91 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 25% | 0.245 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -83.6 | 155.8 | -174 | -65.7 | 176.9 | -178.6 | 158.5 | 3 | 112.3 | A222 A223 T227 T228 H229 D261 | A222-R225 WeakPolarHBondContact O-CB 3.17Å; A222-R225 PolarHBondContact O-N 2.86Å; A223-R225 VanDerWaalsContact C-N 3.31Å; R225-T227 PolarHBondContact O-N 3.35Å; R225-T227 VanDerWaalsContact O-N 3.1Å; R225-T228 WeakPolarHBondContact O-CB 3.34Å; R225-T228 PolarHBondContact O-N 3.01Å; R225-H229 PolarHBondContact O-N 2.84Å; R225-D261 WeakPolarHBondContact CD-OD2 3.32Å; R225-D261 IonicContact CZ-OD2 2.73Å; R225-D261 IonicContact NE-OD2 3.55Å; R225-D261 IonicContact NH1-OD1 3.56Å; R225-D261 PolarHBondContact NH1-OD1 2.97Å; R225-D261 IonicContact NH1-OD2 3.58Å; R225-D261 PolarHBondContact NH1-OD2 3.2Å |
| 226 | D | 91.5 | Very high | 91.6 | Very high | 130 Ų | 130 | 47.1 Ų | 47.1 | 70% | 0.695 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -54.4 | -33.6 | -175.7 | -58.7 | -13.6 | 0 | 0 | 0 | 113.9 | T228 H229 Q230 | D226-T228 PolarHBondContact O-N 2.85Å; D226-H229 PolarHBondContact O-N 2.77Å; D226-H229 VanDerWaalsContact O-N 3.17Å; D226-Q230 WeakPolarHBondContact O-CB 3.18Å; D226-Q230 PolarHBondContact O-N 3.09Å |
| 227 | T | 92.2 | Very high | 92 | Very high | 27 Ų | 27 | 42 Ų | 42 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.7 | -37.1 | 176.9 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | R225 F231 K259 D261 | R225-T227 PolarHBondContact O-N 3.35Å; R225-T227 VanDerWaalsContact O-N 3.1Å; T227-F231 WeakPolarHBondContact O-CB 3.49Å; T227-F231 PolarHBondContact O-N 3.2Å; T227-F231 VanDerWaalsContact O-N 3.17Å; T227-K259 HydrophobicContact CG2-CB 4.13Å; T227-K259 HydrophobicContact CG2-CD 3.84Å; T227-K259 HydrophobicContact CG2-CG 3.69Å; T227-K259 WeakPolarHBondContact CG2-O 3.34Å; T227-D261 HydrophobicContact CG2-CB 4.22Å; T227-D261 WeakPolarHBondContact OG1-CB 3.49Å |
| 228 | T | 93.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.1 | -45.7 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 110.3 | I195 A199 A223 R225 D226 F231 A232 | I195-T228 HydrophobicContact CG2-CG2 4.04Å; A199-T228 HydrophobicContact CB-CG2 3.52Å; A223-T228 WeakPolarHBondContact O-CB 3.3Å; A223-T228 WeakPolarHBondContact O-CG2 3.49Å; A223-T228 PolarHBondContact O-OG1 2.77Å; R225-T228 WeakPolarHBondContact O-CB 3.34Å; R225-T228 PolarHBondContact O-N 3.01Å; D226-T228 PolarHBondContact O-N 2.85Å; T228-F231 PolarHBondContact O-N 2.87Å; T228-A232 PolarHBondContact O-N 2.98Å |
| 229 | H | 93.7 | Very high | 92.8 | Very high | 50 Ų | 50 | 35.8 Ų | 35.8 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 178.5 | -60.3 | 156.5 | 0 | 0 | 0 | 112.3 | L192 A224 R225 D226 F231 A232 L233 | L192-H229 HydrophobicContact CD2-CB 4.3Å; A224-H229 PolarHBondContact O-CE1 3.05Å; A224-H229 VanDerWaalsContact O-CE1 3.29Å; R225-H229 PolarHBondContact O-N 2.84Å; D226-H229 PolarHBondContact O-N 2.77Å; D226-H229 VanDerWaalsContact O-N 3.17Å; H229-F231 VanDerWaalsContact C-N 3.3Å; H229-F231 PolarHBondContact O-N 3.26Å; H229-A232 WeakPolarHBondContact O-CA 3.36Å; H229-A232 VanDerWaalsContact O-CB 3.22Å; H229-A232 WeakPolarHBondContact O-CB 3.48Å; H229-A232 PolarHBondContact O-N 3.26Å; H229-L233 WeakPolarHBondContact O-CG 3.08Å; H229-L233 PolarHBondContact O-N 3.04Å |
| 230 | Q | 92.6 | Very high | 93 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -42 | 177.3 | -173.3 | 63.7 | 50.3 | 0 | 0 | 111 | D226 A232 L233 D234 | D226-Q230 WeakPolarHBondContact O-CB 3.18Å; D226-Q230 PolarHBondContact O-N 3.09Å; Q230-A232 VanDerWaalsContact C-N 3.28Å; Q230-A232 PolarHBondContact O-N 3.01Å; Q230-L233 PolarHBondContact O-N 3.34Å; Q230-D234 PolarHBondContact NE2-OD1 3.49Å; Q230-D234 WeakPolarHBondContact O-CB 3.21Å; Q230-D234 PolarHBondContact O-N 2.84Å |
| 231 | F | 94.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 174.6 | -177.5 | -124.9 | 0 | 0 | 0 | 112.1 | T227 T228 H229 T235 L250 I257 K259 | T227-F231 WeakPolarHBondContact O-CB 3.49Å; T227-F231 PolarHBondContact O-N 3.2Å; T227-F231 VanDerWaalsContact O-N 3.17Å; T228-F231 PolarHBondContact O-N 2.87Å; H229-F231 VanDerWaalsContact C-N 3.3Å; H229-F231 PolarHBondContact O-N 3.26Å; F231-T235 WeakPolarHBondContact O-CB 3.13Å; F231-T235 PolarHBondContact O-N 3.19Å; F231-T235 PolarHBondContact O-OG1 3.25Å; F231-L250 HydrophobicContact CD1-CD2 3.62Å; F231-L250 HydrophobicContact CE1-CD2 3.2Å; F231-L250 HydrophobicContact CG-CD2 4.46Å; F231-L250 HydrophobicContact CZ-CD2 3.75Å; F231-I257 HydrophobicContact CE1-CB 4.42Å; F231-I257 HydrophobicContact CE1-CG2 4.01Å; F231-I257 HydrophobicContact CZ-CB 4.48Å; F231-I257 HydrophobicContact CZ-CG2 3.81Å; F231-K259 HydrophobicContact CB-CB 4.11Å; F231-K259 HydrophobicContact CB-CD 3.97Å; F231-K259 HydrophobicContact CD1-CB 4.21Å; F231-K259 HydrophobicContact CD2-CB 4.44Å; F231-K259 HydrophobicContact CD2-CD 4.27Å; F231-K259 HydrophobicContact CG-CB 4Å; F231-K259 HydrophobicContact CG-CD 4.27Å |
| 232 | A | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y191 L192 I195 T228 H229 Q230 T235 L236 | Y191-A232 HydrophobicContact CE1-CB 3.9Å; Y191-A232 PolarHBondContact OH-O 3.12Å; L192-A232 HydrophobicContact CD2-CB 4.15Å; I195-A232 HydrophobicContact CB-CB 4.14Å; I195-A232 HydrophobicContact CG1-CB 3.92Å; I195-A232 HydrophobicContact CG2-CB 3.85Å; T228-A232 PolarHBondContact O-N 2.98Å; H229-A232 WeakPolarHBondContact O-CA 3.36Å; H229-A232 VanDerWaalsContact O-CB 3.22Å; H229-A232 WeakPolarHBondContact O-CB 3.48Å; H229-A232 PolarHBondContact O-N 3.26Å; Q230-A232 VanDerWaalsContact C-N 3.28Å; Q230-A232 PolarHBondContact O-N 3.01Å; A232-T235 PolarHBondContact O-N 2.99Å; A232-L236 WeakPolarHBondContact O-CB 3.48Å; A232-L236 PolarHBondContact O-N 3.43Å |
| 233 | L | 94 | Very high | 93.8 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 24% | 0.241 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.2 | -42.7 | -179.1 | -65.5 | 173 | 0 | 0 | 0 | 111.8 | W177 L192 H229 Q230 T235 L236 H237 | W177-L233 HydrophobicContact CH2-CD2 3.81Å; W177-L233 HydrophobicContact CZ3-CB 4.26Å; W177-L233 HydrophobicContact CZ3-CD2 3.72Å; L192-L233 HydrophobicContact CD2-CD2 4.46Å; H229-L233 WeakPolarHBondContact O-CG 3.08Å; H229-L233 PolarHBondContact O-N 3.04Å; Q230-L233 PolarHBondContact O-N 3.34Å; L233-T235 VanDerWaalsContact C-N 3.25Å; L233-T235 PolarHBondContact O-N 3.37Å; L233-L236 PolarHBondContact O-N 2.96Å; L233-H237 PolarHBondContact O-N 3.26Å |
| 234 | D | 93.6 | Very high | 94 | Very high | 51 Ų | 51 | 47.5 Ų | 47.5 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 173.6 | -68.7 | -15 | 0 | 0 | 0 | 110.8 | Q230 S238 | Q230-D234 PolarHBondContact NE2-OD1 3.49Å; Q230-D234 WeakPolarHBondContact O-CB 3.21Å; Q230-D234 PolarHBondContact O-N 2.84Å; D234-S238 WeakPolarHBondContact O-CB 3.44Å; D234-S238 PolarHBondContact O-N 2.94Å; D234-S238 PolarHBondContact O-OG 3.19Å |
| 235 | T | 95.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.8 | -38.4 | 178.5 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | F231 A232 L233 S238 A239 A246 M249 L250 | F231-T235 WeakPolarHBondContact O-CB 3.13Å; F231-T235 PolarHBondContact O-N 3.19Å; F231-T235 PolarHBondContact O-OG1 3.25Å; A232-T235 PolarHBondContact O-N 2.99Å; L233-T235 VanDerWaalsContact C-N 3.25Å; L233-T235 PolarHBondContact O-N 3.37Å; T235-S238 PolarHBondContact O-N 3.19Å; T235-A239 VanDerWaalsContact O-CB 3.31Å; T235-A239 WeakPolarHBondContact O-CB 3.43Å; T235-A239 PolarHBondContact O-N 3.1Å; T235-A246 HydrophobicContact CG2-CB 4.49Å; T235-M249 HydrophobicContact CG2-CB 3.7Å; T235-M249 HydrophobicContact CG2-CE 4.28Å; T235-M249 HydrophobicContact CG2-SD 4.39Å; T235-L250 HydrophobicContact CG2-CD1 4.32Å; T235-L250 HydrophobicContact CG2-CD2 4.05Å; T235-L250 HydrophobicContact CG2-CG 3.78Å |
| 236 | L | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.6 | -175.6 | 63.3 | 0 | 0 | 0 | 111.4 | W177 L183 L188 Y191 A232 L233 A239 N240 Y241 I243 A246 | W177-L236 HydrophobicContact CH2-CD2 4.21Å; W177-L236 HydrophobicContact CZ3-CD2 4.26Å; L183-L236 HydrophobicContact CD1-CD1 4.24Å; L183-L236 HydrophobicContact CD1-CD2 3.78Å; L183-L236 HydrophobicContact CD1-CG 4.31Å; L188-L236 HydrophobicContact CD2-CD2 3.58Å; Y191-L236 HydrophobicContact CD1-CD2 4Å; Y191-L236 HydrophobicContact CE1-CB 3.92Å; Y191-L236 HydrophobicContact CE1-CD1 4.38Å; Y191-L236 HydrophobicContact CE1-CD2 3.9Å; Y191-L236 HydrophobicContact CE1-CG 4.3Å; A232-L236 WeakPolarHBondContact O-CB 3.48Å; A232-L236 PolarHBondContact O-N 3.43Å; L233-L236 PolarHBondContact O-N 2.96Å; L236-A239 CarbonylContact O-C 3.54Å; L236-A239 PolarHBondContact O-N 3.4Å; L236-N240 PolarHBondContact O-N 3.04Å; L236-Y241 HydrophobicContact CG-CD1 4.34Å; L236-Y241 WeakPolarHBondContact O-CA 3.32Å; L236-Y241 PolarHBondContact O-N 2.48Å; L236-I243 HydrophobicContact CD1-CG1 4.26Å; L236-A246 HydrophobicContact CB-CB 4.47Å; L236-A246 HydrophobicContact CD1-CB 3.93Å |
| 237 | H | 94.6 | Very high | 94.6 | Very high | 27 Ų | 27 | 43 Ų | 43 | 13% | 0.125 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 173.4 | 178.7 | 69.2 | 0 | 0 | 0 | 111.6 | L175 L176 L233 A239 N240 Y241 | L175-H237 PolarHBondContact O-NE2 3.13Å; L176-H237 WeakPolarHBondContact O-CB 3.15Å; L176-H237 PolarHBondContact O-ND1 3.22Å; L233-H237 PolarHBondContact O-N 3.26Å; H237-A239 PolarHBondContact O-N 3.23Å; H237-N240 PolarHBondContact O-N 3.37Å; H237-Y241 AromaticContact ND1-CE2 3.75Å; H237-Y241 AromaticContact ND1-CZ 3.52Å; H237-Y241 PolarHBondContact ND1-OH 3.2Å |
| 238 | S | 94.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 53% | 0.531 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.3 | -24.8 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | D234 T235 N240 | D234-S238 WeakPolarHBondContact O-CB 3.44Å; D234-S238 PolarHBondContact O-N 2.94Å; D234-S238 PolarHBondContact O-OG 3.19Å; T235-S238 PolarHBondContact O-N 3.19Å; S238-N240 VanDerWaalsContact C-N 3.29Å |
| 239 | A | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 18 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T235 L236 H237 Y241 N242 Q245 A246 M249 | T235-A239 VanDerWaalsContact O-CB 3.31Å; T235-A239 WeakPolarHBondContact O-CB 3.43Å; T235-A239 PolarHBondContact O-N 3.1Å; L236-A239 CarbonylContact O-C 3.54Å; L236-A239 PolarHBondContact O-N 3.4Å; H237-A239 PolarHBondContact O-N 3.23Å; A239-Y241 PolarHBondContact O-N 3.17Å; A239-N242 WeakPolarHBondContact O-CB 3.46Å; A239-N242 PolarHBondContact O-N 3.11Å; A239-Q245 HydrophobicContact CB-CB 4.08Å; A239-Q245 HydrophobicContact CB-CG 3.94Å; A239-A246 HydrophobicContact CB-CB 3.81Å; A239-M249 HydrophobicContact CB-SD 4.01Å |
| 240 | N | 94.1 | Very high | 94.9 | Very high | 125 Ų | 125 | 49.7 Ų | 49.7 | 67% | 0.668 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 38.8 | -177.2 | -68.2 | -3 | 0 | 0 | 0 | 113.3 | L236 H237 S238 N242 | L236-N240 PolarHBondContact O-N 3.04Å; H237-N240 PolarHBondContact O-N 3.37Å; S238-N240 VanDerWaalsContact C-N 3.29Å; N240-N242 PolarHBondContact O-N 3.16Å |
| 241 | Y | 94.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 17.3 | -179.6 | -54.7 | -86.4 | 0 | 0 | 0 | 114.5 | W177 R178 N181 L183 L236 H237 A239 | W177-Y241 WeakPolarHBondContact CA-OH 3.4Å; W177-Y241 HydrophobicContact CD2-CE1 4.33Å; W177-Y241 AromaticContact CE3-CE1 3.9Å; W177-Y241 HydrophobicContact CE3-CE1 3.9Å; W177-Y241 HydrophobicContact CH2-CE1 4.03Å; W177-Y241 HydrophobicContact CZ2-CE1 4.44Å; W177-Y241 HydrophobicContact CZ3-CD1 4.44Å; W177-Y241 AromaticContact CZ3-CE1 3.74Å; W177-Y241 HydrophobicContact CZ3-CE1 3.74Å; R178-Y241 HydrophobicContact CB-CE2 4.18Å; R178-Y241 PolarHBondContact N-OH 3.22Å; N181-Y241 HydrophobicContact CB-CD1 3.61Å; N181-Y241 HydrophobicContact CB-CD2 4.08Å; N181-Y241 HydrophobicContact CB-CE1 3.94Å; N181-Y241 HydrophobicContact CB-CE2 4.4Å; N181-Y241 HydrophobicContact CB-CG 3.69Å; L183-Y241 HydrophobicContact CD1-CD1 4.19Å; L236-Y241 HydrophobicContact CG-CD1 4.34Å; L236-Y241 WeakPolarHBondContact O-CA 3.32Å; L236-Y241 PolarHBondContact O-N 2.48Å; H237-Y241 AromaticContact ND1-CE2 3.75Å; H237-Y241 AromaticContact ND1-CZ 3.52Å; H237-Y241 PolarHBondContact ND1-OH 3.2Å; A239-Y241 PolarHBondContact O-N 3.17Å |
| 242 | N | 95.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | trans | -87.6 | 109.8 | 171 | -175.8 | -36.1 | 0 | 0 | 0 | 110.1 | A239 N240 S244 Q245 A246 | A239-N242 WeakPolarHBondContact O-CB 3.46Å; A239-N242 PolarHBondContact O-N 3.11Å; N240-N242 PolarHBondContact O-N 3.16Å; N242-S244 VanDerWaalsContact C-N 3.33Å; N242-S244 PolarHBondContact O-N 2.99Å; N242-S244 WeakPolarHBondContact OD1-CB 2.89Å; N242-S244 PolarHBondContact OD1-N 3Å; N242-Q245 HydrophobicContact CB-CB 4Å; N242-Q245 PolarHBondContact O-N 2.95Å; N242-Q245 PolarHBondContact OD1-N 2.87Å; N242-Q245 VanDerWaalsContact OD1-N 3.13Å; N242-A246 WeakPolarHBondContact O-CB 3.46Å; N242-A246 PolarHBondContact O-N 3.12Å | ||
| 243 | I | 95.1 | Very high | 94.4 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 22% | 0.221 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.4 | -44.8 | -179.2 | -69.7 | 173.1 | 0 | 0 | 0 | 111.8 | L183 D187 Y191 L236 Q245 A246 L247 | L183-I243 HydrophobicContact CD2-CD1 3.99Å; L183-I243 HydrophobicContact CD2-CG1 4.2Å; D187-I243 HydrophobicContact CB-CD1 4Å; Y191-I243 HydrophobicContact CD2-CG1 4.48Å; Y191-I243 HydrophobicContact CD2-CG2 3.94Å; L236-I243 HydrophobicContact CD1-CG1 4.26Å; I243-Q245 PolarHBondContact O-N 3.21Å; I243-A246 PolarHBondContact O-N 3.34Å; I243-L247 HydrophobicContact CG2-CD1 3.78Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 2.79Å; I243-L247 PolarHBondContact O-N 3.19Å |
| 244 | S | 95.3 | Very high | 94 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 53% | 0.531 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | -178.2 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | N242 L247 Q248 | N242-S244 VanDerWaalsContact C-N 3.33Å; N242-S244 PolarHBondContact O-N 2.99Å; N242-S244 WeakPolarHBondContact OD1-CB 2.89Å; N242-S244 PolarHBondContact OD1-N 3Å; S244-L247 PolarHBondContact O-N 3.19Å; S244-Q248 WeakPolarHBondContact O-CG 3.17Å; S244-Q248 PolarHBondContact O-N 3.03Å; S244-Q248 VanDerWaalsContact O-N 3.1Å |
| 245 | Q | 96.2 | Very high | 93.7 | Very high | 87 Ų | 87 | 61.8 Ų | 61.8 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.2 | -177.1 | 177.3 | -11.5 | 0 | 0 | 111.4 | A239 N242 I243 L247 Q248 M249 | A239-Q245 HydrophobicContact CB-CB 4.08Å; A239-Q245 HydrophobicContact CB-CG 3.94Å; N242-Q245 HydrophobicContact CB-CB 4Å; N242-Q245 PolarHBondContact O-N 2.95Å; N242-Q245 PolarHBondContact OD1-N 2.87Å; N242-Q245 VanDerWaalsContact OD1-N 3.13Å; I243-Q245 PolarHBondContact O-N 3.21Å; Q245-L247 VanDerWaalsContact C-N 3.35Å; Q245-L247 PolarHBondContact O-N 3.29Å; Q245-Q248 PolarHBondContact O-N 3.3Å; Q245-M249 HydrophobicContact CG-SD 4.36Å; Q245-M249 WeakPolarHBondContact O-CG 3.39Å; Q245-M249 PolarHBondContact O-N 3.37Å |
| 246 | A | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y191 T235 L236 A239 N242 I243 Q248 M249 L250 | Y191-A246 HydrophobicContact CE2-CB 3.98Å; T235-A246 HydrophobicContact CG2-CB 4.49Å; L236-A246 HydrophobicContact CB-CB 4.47Å; L236-A246 HydrophobicContact CD1-CB 3.93Å; A239-A246 HydrophobicContact CB-CB 3.81Å; N242-A246 WeakPolarHBondContact O-CB 3.46Å; N242-A246 PolarHBondContact O-N 3.12Å; I243-A246 PolarHBondContact O-N 3.34Å; A246-Q248 PolarHBondContact O-N 3.16Å; A246-M249 PolarHBondContact O-N 2.81Å; A246-L250 WeakPolarHBondContact O-CG 3.21Å; A246-L250 PolarHBondContact O-N 2.94Å |
| 247 | L | 95.2 | Very high | 93.3 | Very high | 41 Ų | 41 | 65.5 Ų | 65.5 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 175.8 | -70.8 | 165.2 | 0 | 0 | 0 | 112.5 | Y191 L194 I195 I243 S244 Q245 M249 L250 A251 | Y191-L247 HydrophobicContact CD2-CD2 4.43Å; Y191-L247 HydrophobicContact CD2-CG 4.49Å; Y191-L247 HydrophobicContact CE2-CD2 4.25Å; Y191-L247 HydrophobicContact CE2-CG 4.3Å; L194-L247 HydrophobicContact CD2-CD1 3.45Å; L194-L247 VanDerWaalsContact CD2-CD1 3.45Å; L194-L247 HydrophobicContact CD2-CD2 3.44Å; L194-L247 VanDerWaalsContact CD2-CD2 3.44Å; L194-L247 HydrophobicContact CD2-CG 4.09Å; L194-L247 HydrophobicContact CG-CD2 3.81Å; I195-L247 HydrophobicContact CD1-CD2 3.43Å; I195-L247 VanDerWaalsContact CD1-CD2 3.43Å; I243-L247 HydrophobicContact CG2-CD1 3.78Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 VanDerWaalsContact O-CG 3.26Å; I243-L247 WeakPolarHBondContact O-CG 2.79Å; I243-L247 PolarHBondContact O-N 3.19Å; S244-L247 PolarHBondContact O-N 3.19Å; Q245-L247 VanDerWaalsContact C-N 3.35Å; Q245-L247 PolarHBondContact O-N 3.29Å; L247-M249 VanDerWaalsContact C-N 3.31Å; L247-M249 PolarHBondContact O-N 3Å; L247-L250 PolarHBondContact O-N 3.42Å; L247-A251 PolarHBondContact O-N 3.32Å |
| 248 | Q | 94.9 | Very high | 93 | Very high | 141 Ų | 141 | 65.3 Ų | 65.3 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.7 | -36.7 | 175 | -72 | 176.6 | 5.8 | 0 | 0 | 112.2 | S244 Q245 A246 A251 | S244-Q248 WeakPolarHBondContact O-CG 3.17Å; S244-Q248 PolarHBondContact O-N 3.03Å; S244-Q248 VanDerWaalsContact O-N 3.1Å; Q245-Q248 PolarHBondContact O-N 3.3Å; A246-Q248 PolarHBondContact O-N 3.16Å; Q248-A251 CarbonylContact O-C 3.56Å |
| 249 | M | 96 | Very high | 92.8 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 41% | 0.409 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.6 | -34.3 | 175 | -70.3 | 177.8 | 67.4 | 0 | 0 | 112.5 | T235 A239 Q245 A246 L247 | T235-M249 HydrophobicContact CG2-CB 3.7Å; T235-M249 HydrophobicContact CG2-CE 4.28Å; T235-M249 HydrophobicContact CG2-SD 4.39Å; A239-M249 HydrophobicContact CB-SD 4.01Å; Q245-M249 HydrophobicContact CG-SD 4.36Å; Q245-M249 WeakPolarHBondContact O-CG 3.39Å; Q245-M249 PolarHBondContact O-N 3.37Å; A246-M249 PolarHBondContact O-N 2.81Å; L247-M249 VanDerWaalsContact C-N 3.31Å; L247-M249 PolarHBondContact O-N 3Å |
| 250 | L | 95 | Very high | 92.5 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -79.2 | -24.4 | 178.2 | -71.6 | 168.9 | 0 | 0 | 0 | 113.4 | Y191 I195 L198 F231 T235 A246 L247 I257 | Y191-L250 HydrophobicContact CE2-CD1 4.45Å; Y191-L250 VanDerWaalsContact OH-CD1 3.31Å; Y191-L250 WeakPolarHBondContact OH-CD1 3.08Å; I195-L250 HydrophobicContact CD1-CD1 3.29Å; I195-L250 HydrophobicContact CG1-CD1 3.82Å; I195-L250 HydrophobicContact CG2-CD1 4.44Å; L198-L250 HydrophobicContact CD2-CB 3.96Å; F231-L250 HydrophobicContact CD1-CD2 3.62Å; F231-L250 HydrophobicContact CE1-CD2 3.2Å; F231-L250 HydrophobicContact CG-CD2 4.46Å; F231-L250 HydrophobicContact CZ-CD2 3.75Å; T235-L250 HydrophobicContact CG2-CD1 4.32Å; T235-L250 HydrophobicContact CG2-CD2 4.05Å; T235-L250 HydrophobicContact CG2-CG 3.78Å; A246-L250 WeakPolarHBondContact O-CG 3.21Å; A246-L250 PolarHBondContact O-N 2.94Å; L247-L250 PolarHBondContact O-N 3.42Å; L250-I257 PolarHBondContact O-N 3.2Å |
| 251 | A | 93.2 | Very high | 92.3 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -132.2 | 62.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L198 L247 Q248 R253 G254 Q255 | L198-A251 HydrophobicContact CD1-CB 3.97Å; L198-A251 HydrophobicContact CD2-CB 4.03Å; L247-A251 PolarHBondContact O-N 3.32Å; Q248-A251 CarbonylContact O-C 3.56Å; A251-R253 PolarHBondContact O-N 3.23Å; A251-G254 PolarHBondContact O-N 2.92Å; A251-Q255 WeakPolarHBondContact CA-O 3.35Å |
| 252 | P | 91.2 | Very high | 92.2 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -61.1 | 127.3 | 179.5 | 25.4 | -32.8 | 0 | 0 | 0 | 110 | G254 Q255 I257 | P252-G254 PolarHBondContact O-N 3.37Å; P252-Q255 WeakPolarHBondContact CD-O 3.34Å; P252-Q255 PolarHBondContact O-N 3.13Å; P252-I257 HydrophobicContact CG-CD1 3.56Å; P252-I257 HydrophobicContact CG-CG1 4.06Å |
| 253 | R | 87.6 | Confident | 91.8 | Very high | 259 Ų | 259 | 60.5 Ų | 60.5 | 98% | 0.977 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | 57.3 | 28.1 | -176.4 | -52.7 | 176.9 | 177.7 | 162.9 | -1.1 | 113.5 | A251 Q255 | A251-R253 PolarHBondContact O-N 3.23Å; R253-Q255 VanDerWaalsContact C-N 3.27Å; R253-Q255 PolarHBondContact O-N 3.48Å |
| 254 | G | 85.1 | Confident | 91.5 | Very high | 58 Ų | 58 | 59.6 Ų | 59.6 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | 78.5 | 3.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A251 P252 P256 | A251-G254 PolarHBondContact O-N 2.92Å; P252-G254 PolarHBondContact O-N 3.37Å; G254-P256 WeakPolarHBondContact O-CD 3.39Å |
| 255 | Q | 87.3 | Confident | 91.1 | Very high | 96 Ų | 96 | 61.1 Ų | 61.1 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | trans | -95.7 | 113.2 | 175.7 | -171.7 | 70.2 | 35.9 | 0 | 0 | 109.9 | A251 P252 R253 I257 | A251-Q255 WeakPolarHBondContact CA-O 3.35Å; P252-Q255 WeakPolarHBondContact CD-O 3.34Å; P252-Q255 PolarHBondContact O-N 3.13Å; R253-Q255 VanDerWaalsContact C-N 3.27Å; R253-Q255 PolarHBondContact O-N 3.48Å; Q255-I257 PolarHBondContact O-N 3.01Å | ||
| 256 | P | 91.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | trans | -61.2 | 129.8 | 177.7 | -25.5 | 36.3 | 0 | 0 | 0 | 112.8 | L198 L201 G254 | L198-P256 HydrophobicContact CD1-CB 4.14Å; L198-P256 HydrophobicContact CD1-CG 3.67Å; L198-P256 HydrophobicContact CG-CB 3.94Å; L198-P256 HydrophobicContact CG-CG 4.01Å; L201-P256 HydrophobicContact CD2-CG 4.35Å; L201-P256 HydrophobicContact CG-CG 4.41Å; G254-P256 WeakPolarHBondContact O-CD 3.39Å | ||
| 257 | I | 91 | Very high | 90.4 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 41% | 0.41 | 30% | 0.304 | S | S | . | . | trans | -87.3 | 128 | 167.9 | -63.9 | 171.4 | 0 | 0 | 0 | 108.3 | F231 L250 P252 Q255 | F231-I257 HydrophobicContact CE1-CB 4.42Å; F231-I257 HydrophobicContact CE1-CG2 4.01Å; F231-I257 HydrophobicContact CZ-CB 4.48Å; F231-I257 HydrophobicContact CZ-CG2 3.81Å; L250-I257 PolarHBondContact O-N 3.2Å; P252-I257 HydrophobicContact CG-CD1 3.56Å; P252-I257 HydrophobicContact CG-CG1 4.06Å; Q255-I257 PolarHBondContact O-N 3.01Å | ||
| 258 | L | 88.9 | Confident | 90 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | trans | -113 | 144.5 | 176.7 | -56.6 | -171.5 | 0 | 0 | 0 | 111.8 | A199 R203 Y206 L260 | A199-L258 HydrophobicContact CB-CD2 3.96Å; R203-L258 HydrophobicContact CB-CD1 4.33Å; R203-L258 HydrophobicContact CG-CD1 3.44Å; R203-L258 VanDerWaalsContact CG-CD1 3.44Å; Y206-L258 HydrophobicContact CD2-CD1 3.93Å; Y206-L258 HydrophobicContact CE2-CB 4.14Å; Y206-L258 HydrophobicContact CE2-CD1 3.46Å; Y206-L258 VanDerWaalsContact CE2-CD1 3.46Å; Y206-L258 HydrophobicContact CE2-CG 3.91Å; L258-L260 HydrophobicContact CB-CD2 4.37Å; L258-L260 HydrophobicContact CD1-CD2 4.34Å | ||
| 259 | K | 88.7 | Confident | 89.7 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | trans | -105 | 107.7 | 162.2 | -169.6 | 179.3 | -177.1 | 179.8 | 0 | 108.1 | T227 F231 | T227-K259 HydrophobicContact CG2-CB 4.13Å; T227-K259 HydrophobicContact CG2-CD 3.84Å; T227-K259 HydrophobicContact CG2-CG 3.69Å; T227-K259 WeakPolarHBondContact CG2-O 3.34Å; F231-K259 HydrophobicContact CB-CB 4.11Å; F231-K259 HydrophobicContact CB-CD 3.97Å; F231-K259 HydrophobicContact CD1-CB 4.21Å; F231-K259 HydrophobicContact CD2-CB 4.44Å; F231-K259 HydrophobicContact CD2-CD 4.27Å; F231-K259 HydrophobicContact CG-CB 4Å; F231-K259 HydrophobicContact CG-CD 4.27Å | ||
| 260 | L | 89.4 | Confident | 89.6 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | trans | -79 | 139.8 | 177.5 | -58.4 | -178.8 | 0 | 0 | 0 | 110 | Y206 L211 L258 E264 Q265 | Y206-L260 HydrophobicContact CD1-CD1 4.35Å; Y206-L260 HydrophobicContact CE1-CD1 3.81Å; Y206-L260 HydrophobicContact CE1-CG 4.46Å; L211-L260 HydrophobicContact CD2-CD1 4.03Å; L211-L260 HydrophobicContact CD2-CD2 4.23Å; L258-L260 HydrophobicContact CB-CD2 4.37Å; L258-L260 HydrophobicContact CD1-CD2 4.34Å; L260-E264 HydrophobicContact CB-CB 4.26Å; L260-E264 HydrophobicContact CD2-CB 4.47Å; L260-Q265 HydrophobicContact CB-CG 3.95Å; L260-Q265 PolarHBondContact O-NE2 2.76Å | ||
| 261 | D | 90.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | trans | -85.2 | 174.8 | 174.4 | 63.8 | 34.3 | 0 | 0 | 0 | 112.3 | R225 T227 M263 E264 Q265 M307 | R225-D261 WeakPolarHBondContact CD-OD2 3.32Å; R225-D261 IonicContact CZ-OD2 2.73Å; R225-D261 IonicContact NE-OD2 3.55Å; R225-D261 IonicContact NH1-OD1 3.56Å; R225-D261 PolarHBondContact NH1-OD1 2.97Å; R225-D261 IonicContact NH1-OD2 3.58Å; R225-D261 PolarHBondContact NH1-OD2 3.2Å; T227-D261 HydrophobicContact CG2-CB 4.22Å; T227-D261 WeakPolarHBondContact OG1-CB 3.49Å; D261-M263 VanDerWaalsContact C-N 3.26Å; D261-M263 PolarHBondContact O-N 3.39Å; D261-M263 WeakPolarHBondContact OD1-CA 3.36Å; D261-M263 VanDerWaalsContact OD1-CB 3.31Å; D261-M263 WeakPolarHBondContact OD1-CB 3.4Å; D261-M263 PolarHBondContact OD1-N 3.35Å; D261-E264 PolarHBondContact O-N 2.95Å; D261-E264 WeakPolarHBondContact OD1-CG 3.21Å; D261-E264 PolarHBondContact OD1-N 3.2Å; D261-Q265 VanDerWaalsContact O-CG 3.31Å; D261-Q265 WeakPolarHBondContact O-CG 3.31Å; D261-Q265 PolarHBondContact O-N 3.36Å; D261-M307 HydrophobicContact CB-CE 3.65Å; D261-M307 HydrophobicContact CB-SD 3.91Å; D261-M307 WeakPolarHBondContact OD2-CE 3.2Å | ||
| 262 | E | 91.7 | Very high | 89.5 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -29.9 | 178.7 | -68 | -70.9 | 164.7 | 0 | 0 | 112.2 | E264 W266 S300 E303 F304 M307 | E262-E264 VanDerWaalsContact C-N 3.31Å; E262-E264 PolarHBondContact O-N 3.13Å; E262-W266 VanDerWaalsContact O-CG 3.26Å; E262-W266 PolarHBondContact O-N 3.12Å; E262-W266 PolarHBondContact OE2-NE1 2.73Å; E262-S300 WeakPolarHBondContact OE1-CB 3.17Å; E262-S300 PolarHBondContact OE1-OG 2.83Å; E262-S300 WeakPolarHBondContact OE2-CB 3.38Å; E262-S300 PolarHBondContact OE2-OG 3.38Å; E262-E303 HydrophobicContact CB-CG 4.19Å; E262-E303 HydrophobicContact CG-CB 3.97Å; E262-E303 HydrophobicContact CG-CG 3.73Å; E262-F304 HydrophobicContact CB-CB 4.25Å; E262-M307 HydrophobicContact CB-SD 4.23Å |
| 263 | M | 88.8 | Confident | 89.7 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 19% | 0.192 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 176.2 | 179.6 | 60 | 62.6 | 0 | 0 | 112.1 | D261 F304 M307 W308 T311 | D261-M263 VanDerWaalsContact C-N 3.26Å; D261-M263 PolarHBondContact O-N 3.39Å; D261-M263 WeakPolarHBondContact OD1-CA 3.36Å; D261-M263 VanDerWaalsContact OD1-CB 3.31Å; D261-M263 WeakPolarHBondContact OD1-CB 3.4Å; D261-M263 PolarHBondContact OD1-N 3.35Å; M263-F304 HydrophobicContact CE-CE2 4.2Å; M263-F304 HydrophobicContact SD-CE2 4.18Å; M263-M307 HydrophobicContact CB-CB 4.15Å; M263-M307 HydrophobicContact CB-CE 3.67Å; M263-M307 HydrophobicContact CB-SD 3.83Å; M263-M307 HydrophobicContact CE-CB 3.69Å; M263-W308 VanDerWaalsContact CE-CA 3.44Å; M263-W308 HydrophobicContact CE-CB 4.11Å; M263-W308 VanDerWaalsContact CE-N 3.28Å; M263-T311 HydrophobicContact CE-CG2 3.5Å; M263-T311 HydrophobicContact SD-CG2 4.08Å |
| 264 | E | 87 | Confident | 90.1 | Very high | 24 Ų | 24 | 46 Ų | 46 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -81.1 | -32.7 | 179.1 | -69.7 | -176.3 | 101.2 | 0 | 0 | 113.3 | R203 L211 A222 L260 D261 E262 W266 | R203-E264 IonicContact CZ-OE1 2.73Å; R203-E264 IonicContact CZ-OE2 3.44Å; R203-E264 IonicContact NE-OE1 3.51Å; R203-E264 PolarHBondContact NE-OE1 3.03Å; R203-E264 IonicContact NE-OE2 2.76Å; R203-E264 IonicContact NH2-OE1 2.81Å; R203-E264 IonicContact NH2-OE2 3.11Å; R203-E264 PolarHBondContact NH2-OE2 2.84Å; L211-E264 HydrophobicContact CD2-CB 4.14Å; A222-E264 HydrophobicContact CB-CG 4.48Å; L260-E264 HydrophobicContact CB-CB 4.26Å; L260-E264 HydrophobicContact CD2-CB 4.47Å; D261-E264 PolarHBondContact O-N 2.95Å; D261-E264 WeakPolarHBondContact OD1-CG 3.21Å; D261-E264 PolarHBondContact OD1-N 3.2Å; E262-E264 VanDerWaalsContact C-N 3.31Å; E262-E264 PolarHBondContact O-N 3.13Å; E264-W266 VanDerWaalsContact C-N 3.28Å; E264-W266 PolarHBondContact O-N 3.3Å |
| 265 | Q | 88.4 | Confident | 90.6 | Very high | 108 Ų | 108 | 44.7 Ų | 44.7 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76.3 | -15 | -178.4 | -70.9 | -179 | 36.8 | 0 | 0 | 113.7 | L260 D261 | L260-Q265 HydrophobicContact CB-CG 3.95Å; L260-Q265 PolarHBondContact O-NE2 2.76Å; D261-Q265 VanDerWaalsContact O-CG 3.31Å; D261-Q265 WeakPolarHBondContact O-CG 3.31Å; D261-Q265 PolarHBondContact O-N 3.36Å |
| 266 | W | 90.2 | Very high | 90.9 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -87.7 | 134.1 | -175.5 | -79.5 | 48.4 | 0 | 0 | 0 | 112.7 | E262 E264 E270 F274 L293 K296 L301 F304 | E262-W266 VanDerWaalsContact O-CG 3.26Å; E262-W266 PolarHBondContact O-N 3.12Å; E262-W266 PolarHBondContact OE2-NE1 2.73Å; E264-W266 VanDerWaalsContact C-N 3.28Å; E264-W266 PolarHBondContact O-N 3.3Å; W266-E270 HydrophobicContact CD2-CB 4.5Å; W266-E270 HydrophobicContact CE3-CB 3.85Å; W266-E270 HydrophobicContact CZ3-CB 4.4Å; W266-F274 HydrophobicContact CH2-CB 4.23Å; W266-F274 AromaticContact CH2-CD2 3.9Å; W266-F274 HydrophobicContact CH2-CD2 3.9Å; W266-F274 HydrophobicContact CH2-CG 4.16Å; W266-F274 HydrophobicContact CZ3-CB 3.65Å; W266-F274 HydrophobicContact CZ3-CD2 4.18Å; W266-F274 AromaticContact CZ3-CG 3.97Å; W266-F274 HydrophobicContact CZ3-CG 3.97Å; W266-L293 HydrophobicContact CH2-CD1 3.83Å; W266-L293 HydrophobicContact CZ3-CD1 3.87Å; W266-K296 VanDerWaalsContact CD1-NZ 3.27Å; W266-K296 HydrophobicContact CZ2-CD 4.19Å; W266-K296 HydrophobicContact CZ2-CG 4.41Å; W266-L301 HydrophobicContact CH2-CD2 3.55Å; W266-L301 HydrophobicContact CZ2-CD2 3.88Å; W266-F304 HydrophobicContact CB-CD2 4.12Å; W266-F304 HydrophobicContact CB-CE2 3.78Å; W266-F304 AromaticContact CD1-CD2 3.99Å; W266-F304 HydrophobicContact CD2-CB 4.25Å; W266-F304 HydrophobicContact CD2-CD1 4.1Å; W266-F304 AromaticContact CD2-CD2 3.38Å; W266-F304 HydrophobicContact CD2-CD2 3.38Å; W266-F304 HydrophobicContact CD2-CE1 4.31Å; W266-F304 AromaticContact CD2-CE2 3.64Å; W266-F304 HydrophobicContact CD2-CE2 3.64Å; W266-F304 AromaticContact CD2-CG 3.63Å; W266-F304 HydrophobicContact CD2-CG 3.63Å; W266-F304 HydrophobicContact CD2-CZ 4.1Å; W266-F304 AromaticContact CE2-CD2 3.62Å; W266-F304 AromaticContact CE2-CG 3.52Å; W266-F304 AromaticContact CE3-CD1 3.73Å; W266-F304 HydrophobicContact CE3-CD1 3.73Å; W266-F304 AromaticContact CE3-CD2 3.75Å; W266-F304 HydrophobicContact CE3-CD2 3.75Å; W266-F304 AromaticContact CE3-CE1 3.66Å; W266-F304 HydrophobicContact CE3-CE1 3.66Å; W266-F304 AromaticContact CE3-CE2 3.68Å; W266-F304 HydrophobicContact CE3-CE2 3.68Å; W266-F304 AromaticContact CE3-CG 3.77Å; W266-F304 HydrophobicContact CE3-CG 3.77Å; W266-F304 AromaticContact CE3-CZ 3.64Å; W266-F304 HydrophobicContact CE3-CZ 3.64Å; W266-F304 AromaticContact CG-CD2 3.59Å; W266-F304 HydrophobicContact CG-CD2 3.59Å; W266-F304 AromaticContact CG-CE2 3.74Å; W266-F304 HydrophobicContact CG-CE2 3.74Å; W266-F304 HydrophobicContact CG-CG 4.31Å; W266-F304 HydrophobicContact CH2-CB 3.87Å; W266-F304 AromaticContact CH2-CD1 3.51Å; W266-F304 HydrophobicContact CH2-CD1 3.51Å; W266-F304 HydrophobicContact CH2-CD2 4.42Å; W266-F304 HydrophobicContact CH2-CE1 4.16Å; W266-F304 AromaticContact CH2-CG 3.67Å; W266-F304 HydrophobicContact CH2-CG 3.67Å; W266-F304 HydrophobicContact CZ2-CB 3.38Å; W266-F304 AromaticContact CZ2-CD1 3.92Å; W266-F304 HydrophobicContact CZ2-CD1 3.92Å; W266-F304 HydrophobicContact CZ2-CD2 4.15Å; W266-F304 AromaticContact CZ2-CG 3.55Å; W266-F304 HydrophobicContact CZ2-CG 3.55Å; W266-F304 HydrophobicContact CZ3-CB 4.49Å; W266-F304 AromaticContact CZ3-CD1 3.43Å; W266-F304 HydrophobicContact CZ3-CD1 3.43Å; W266-F304 VanDerWaalsContact CZ3-CD1 3.43Å; W266-F304 HydrophobicContact CZ3-CD2 4.26Å; W266-F304 AromaticContact CZ3-CE1 3.58Å; W266-F304 HydrophobicContact CZ3-CE1 3.58Å; W266-F304 HydrophobicContact CZ3-CE2 4.38Å; W266-F304 AromaticContact CZ3-CG 3.8Å; W266-F304 HydrophobicContact CZ3-CG 3.8Å; W266-F304 HydrophobicContact CZ3-CZ 4.07Å; W266-F304 AromaticContact NE1-CD2 3.96Å | ||
| 267 | S | 87.8 | Confident | 91.1 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 33% | 0.329 | 24% | 0.241 | S | C | . | . | trans | -74.7 | 156.6 | 171.4 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | S269 E270 G271 | S267-S269 PolarHBondContact O-N 2.83Å; S267-S269 PolarHBondContact OG-OG 3.16Å; S267-S269 VanDerWaalsContact OG-OG 3.06Å; S267-E270 WeakPolarHBondContact CB-OE2 3.45Å; S267-E270 PolarHBondContact N-OE2 3.23Å; S267-E270 PolarHBondContact O-N 2.95Å; S267-E270 VanDerWaalsContact O-N 3.12Å; S267-E270 WeakPolarHBondContact OG-CB 3.33Å; S267-E270 VanDerWaalsContact OG-CD 3.26Å; S267-E270 WeakPolarHBondContact OG-CG 3.36Å; S267-E270 PolarHBondContact OG-N 3.41Å; S267-E270 PolarHBondContact OG-OE2 3.31Å; S267-G271 PolarHBondContact O-N 3.43Å | ||
| 268 | A | 85.2 | Confident | 91.3 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.7 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G271 N272 | A268-G271 PolarHBondContact O-N 3Å; A268-N272 PolarHBondContact O-N 3.41Å; A268-N272 PolarHBondContact O-OD1 2.86Å |
| 269 | S | 90.5 | Very high | 91.4 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 53% | 0.531 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 175.1 | 40.4 | 0 | 0 | 0 | 0 | 112.7 | S267 N272 L273 | S267-S269 PolarHBondContact O-N 2.83Å; S267-S269 PolarHBondContact OG-OG 3.16Å; S267-S269 VanDerWaalsContact OG-OG 3.06Å; S269-N272 PolarHBondContact O-N 3.23Å; S269-L273 WeakPolarHBondContact O-CG 3.31Å; S269-L273 PolarHBondContact O-N 3.31Å |
| 270 | E | 93.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.4 | -40 | 175.9 | -72.6 | 166.3 | 132.1 | 0 | 0 | 111.4 | W266 S267 N272 L273 F274 L293 W295 K296 | W266-E270 HydrophobicContact CD2-CB 4.5Å; W266-E270 HydrophobicContact CE3-CB 3.85Å; W266-E270 HydrophobicContact CZ3-CB 4.4Å; S267-E270 WeakPolarHBondContact CB-OE2 3.45Å; S267-E270 PolarHBondContact N-OE2 3.23Å; S267-E270 PolarHBondContact O-N 2.95Å; S267-E270 VanDerWaalsContact O-N 3.12Å; S267-E270 WeakPolarHBondContact OG-CB 3.33Å; S267-E270 VanDerWaalsContact OG-CD 3.26Å; S267-E270 WeakPolarHBondContact OG-CG 3.36Å; S267-E270 PolarHBondContact OG-N 3.41Å; S267-E270 PolarHBondContact OG-OE2 3.31Å; E270-N272 PolarHBondContact O-N 3.34Å; E270-L273 PolarHBondContact O-N 2.88Å; E270-F274 WeakPolarHBondContact O-CB 3.18Å; E270-F274 PolarHBondContact O-N 2.91Å; E270-L293 HydrophobicContact CB-CD2 4.27Å; E270-L293 HydrophobicContact CG-CD2 4.13Å; E270-W295 HydrophobicContact CG-CZ2 4.27Å; E270-W295 PolarHBondContact OE1-NE1 3.24Å; E270-K296 WeakPolarHBondContact OE1-CE 3.47Å; E270-K296 IonicContact OE1-NZ 3.21Å; E270-K296 PolarHBondContact OE1-NZ 3.15Å; E270-K296 IonicContact OE2-NZ 3.15Å |
| 271 | G | 92.7 | Very high | 91.8 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S267 A268 F274 E275 | S267-G271 PolarHBondContact O-N 3.43Å; A268-G271 PolarHBondContact O-N 3Å; G271-F274 WeakPolarHBondContact O-CB 3.26Å; G271-F274 PolarHBondContact O-N 3.14Å; G271-E275 WeakPolarHBondContact O-CG 3.31Å; G271-E275 PolarHBondContact O-N 3.13Å |
| 272 | N | 92.9 | Very high | 91.9 | Very high | 89 Ų | 89 | 53 Ų | 53 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 177.6 | -64.8 | -8.2 | 0 | 0 | 0 | 112.4 | A268 S269 E270 F274 E275 E276 | A268-N272 PolarHBondContact O-N 3.41Å; A268-N272 PolarHBondContact O-OD1 2.86Å; S269-N272 PolarHBondContact O-N 3.23Å; E270-N272 PolarHBondContact O-N 3.34Å; N272-F274 VanDerWaalsContact C-N 3.27Å; N272-F274 PolarHBondContact O-N 3.1Å; N272-E275 PolarHBondContact O-N 3.3Å; N272-E276 WeakPolarHBondContact O-CG 3.47Å; N272-E276 PolarHBondContact O-N 3.05Å |
| 273 | L | 95.7 | Very high | 91.9 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 176.1 | -75.9 | 171.8 | 0 | 0 | 0 | 111.7 | S269 E270 A277 F292 L293 W295 | S269-L273 WeakPolarHBondContact O-CG 3.31Å; S269-L273 PolarHBondContact O-N 3.31Å; E270-L273 PolarHBondContact O-N 2.88Å; L273-A277 VanDerWaalsContact O-CB 3.26Å; L273-A277 WeakPolarHBondContact O-CB 3.26Å; L273-A277 PolarHBondContact O-N 3.28Å; L273-F292 HydrophobicContact CB-CD1 4.46Å; L273-F292 HydrophobicContact CD2-CD1 4.11Å; L273-F292 WeakPolarHBondContact O-CD1 3.47Å; L273-L293 HydrophobicContact CB-CD2 4.26Å; L273-L293 HydrophobicContact CD1-CD2 4.22Å; L273-W295 HydrophobicContact CD1-CH2 4.47Å |
| 274 | F | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 176.6 | 176.4 | -93.9 | 0 | 0 | 0 | 112.5 | W266 E270 G271 N272 A277 L278 F285 I288 L293 L301 F304 Y305 | W266-F274 HydrophobicContact CH2-CB 4.23Å; W266-F274 AromaticContact CH2-CD2 3.9Å; W266-F274 HydrophobicContact CH2-CD2 3.9Å; W266-F274 HydrophobicContact CH2-CG 4.16Å; W266-F274 HydrophobicContact CZ3-CB 3.65Å; W266-F274 HydrophobicContact CZ3-CD2 4.18Å; W266-F274 AromaticContact CZ3-CG 3.97Å; W266-F274 HydrophobicContact CZ3-CG 3.97Å; E270-F274 WeakPolarHBondContact O-CB 3.18Å; E270-F274 PolarHBondContact O-N 2.91Å; G271-F274 WeakPolarHBondContact O-CB 3.26Å; G271-F274 PolarHBondContact O-N 3.14Å; N272-F274 VanDerWaalsContact C-N 3.27Å; N272-F274 PolarHBondContact O-N 3.1Å; F274-A277 PolarHBondContact O-N 2.92Å; F274-L278 HydrophobicContact CE1-CD1 4.4Å; F274-L278 HydrophobicContact CE1-CD2 4.37Å; F274-L278 HydrophobicContact CZ-CD1 4.09Å; F274-L278 VanDerWaalsContact O-CB 3.26Å; F274-L278 WeakPolarHBondContact O-CB 3.14Å; F274-L278 PolarHBondContact O-N 2.91Å; F274-F285 HydrophobicContact CE2-CE1 4.38Å; F274-F285 HydrophobicContact CZ-CE1 4.35Å; F274-I288 HydrophobicContact CD2-CG2 4.19Å; F274-I288 HydrophobicContact CE2-CD1 4.49Å; F274-L293 HydrophobicContact CB-CD1 3.97Å; F274-L293 HydrophobicContact CD2-CD1 4.3Å; F274-L301 HydrophobicContact CD2-CD2 4.22Å; F274-L301 HydrophobicContact CE2-CB 4.47Å; F274-F304 HydrophobicContact CB-CE1 4.41Å; F274-F304 AromaticContact CD1-CD1 3.83Å; F274-F304 HydrophobicContact CD1-CD1 3.83Å; F274-F304 AromaticContact CD1-CE1 3.67Å; F274-F304 HydrophobicContact CD1-CE1 3.67Å; F274-F304 HydrophobicContact CD2-CD1 4.44Å; F274-F304 HydrophobicContact CE1-CD1 4.01Å; F274-F304 HydrophobicContact CE1-CE1 4.18Å; F274-F304 HydrophobicContact CG-CD1 4.07Å; F274-F304 HydrophobicContact CG-CE1 4.07Å; F274-F304 HydrophobicContact CZ-CD1 4.4Å; F274-Y305 HydrophobicContact CE1-CD2 4.38Å; F274-Y305 HydrophobicContact CZ-CD2 4.06Å; F274-Y305 HydrophobicContact CZ-CG 4.43Å |
| 275 | E | 93.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -46.2 | 176.5 | -70.1 | 176.8 | -165.1 | 0 | 0 | 111.8 | G271 N272 A277 L278 E279 W308 H313 | G271-E275 WeakPolarHBondContact O-CG 3.31Å; G271-E275 PolarHBondContact O-N 3.13Å; N272-E275 PolarHBondContact O-N 3.3Å; E275-A277 VanDerWaalsContact C-N 3.3Å; E275-A277 PolarHBondContact O-N 3.44Å; E275-L278 PolarHBondContact O-N 3.38Å; E275-E279 PolarHBondContact O-N 3.14Å; E275-W308 HydrophobicContact CG-CH2 4.48Å; E275-W308 HydrophobicContact CG-CZ2 3.68Å; E275-W308 PolarHBondContact OE1-NE1 3.29Å; E275-H313 IonicContact OE1-CE1 2.81Å; E275-H313 PolarHBondContact OE1-CE1 3.46Å; E275-H313 IonicContact OE1-ND1 3.72Å; E275-H313 PolarHBondContact OE1-ND1 3.02Å; E275-H313 IonicContact OE2-CE1 3.7Å; E275-H313 PolarHBondContact OE2-CE1 2.82Å; E275-H313 VanDerWaalsContact OE2-CE1 3.25Å |
| 276 | E | 94.8 | Very high | 92.9 | Very high | 115 Ų | 115 | 62.6 Ų | 62.6 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 174 | -70.8 | 177.8 | -172.3 | 0 | 0 | 111.6 | N272 E279 K280 F292 | N272-E276 WeakPolarHBondContact O-CG 3.47Å; N272-E276 PolarHBondContact O-N 3.05Å; E276-E279 PolarHBondContact O-N 3.05Å; E276-K280 PolarHBondContact O-N 3.43Å; E276-F292 HydrophobicContact CB-CE1 3.99Å |
| 277 | A | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L273 F274 E275 E279 K280 Y281 I288 F292 | L273-A277 VanDerWaalsContact O-CB 3.26Å; L273-A277 WeakPolarHBondContact O-CB 3.26Å; L273-A277 PolarHBondContact O-N 3.28Å; F274-A277 PolarHBondContact O-N 2.92Å; E275-A277 VanDerWaalsContact C-N 3.3Å; E275-A277 PolarHBondContact O-N 3.44Å; A277-E279 VanDerWaalsContact C-N 3.34Å; A277-K280 PolarHBondContact O-N 2.99Å; A277-Y281 PolarHBondContact O-N 3.49Å; A277-I288 HydrophobicContact CB-CB 4.21Å; A277-I288 HydrophobicContact CB-CD1 4.44Å; A277-I288 HydrophobicContact CB-CG1 3.89Å; A277-I288 HydrophobicContact CB-CG2 3.71Å; A277-F292 HydrophobicContact CB-CB 3.86Å; A277-F292 HydrophobicContact CB-CD1 3.83Å; A277-F292 HydrophobicContact CB-CD2 3.46Å; A277-F292 VanDerWaalsContact CB-CD2 3.46Å; A277-F292 HydrophobicContact CB-CE1 4.19Å; A277-F292 HydrophobicContact CB-CE2 3.86Å; A277-F292 HydrophobicContact CB-CG 3.45Å; A277-F292 VanDerWaalsContact CB-CG 3.45Å; A277-F292 HydrophobicContact CB-CZ 4.2Å |
| 278 | L | 94.4 | Very high | 93.6 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 179.2 | -166.5 | 80.4 | 0 | 0 | 0 | 111.5 | F274 E275 K280 G282 I288 Y305 W308 | F274-L278 HydrophobicContact CE1-CD1 4.4Å; F274-L278 HydrophobicContact CE1-CD2 4.37Å; F274-L278 HydrophobicContact CZ-CD1 4.09Å; F274-L278 VanDerWaalsContact O-CB 3.26Å; F274-L278 WeakPolarHBondContact O-CB 3.14Å; F274-L278 PolarHBondContact O-N 2.91Å; E275-L278 PolarHBondContact O-N 3.38Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-G282 VanDerWaalsContact CD1-O 3.31Å; L278-G282 WeakPolarHBondContact CD1-O 3.43Å; L278-G282 WeakPolarHBondContact O-CA 3.47Å; L278-G282 PolarHBondContact O-N 3.31Å; L278-I288 HydrophobicContact CD1-CD1 4.23Å; L278-Y305 HydrophobicContact CD1-CD2 4.1Å; L278-Y305 HydrophobicContact CD1-CE2 4.14Å; L278-Y305 HydrophobicContact CD2-CD2 4.39Å; L278-Y305 HydrophobicContact CD2-CE2 4.22Å; L278-W308 HydrophobicContact CD2-CH2 3.89Å; L278-W308 HydrophobicContact CD2-CZ3 3.58Å |
| 279 | E | 91.7 | Very high | 94.1 | Very high | 147 Ų | 147 | 63 Ų | 63 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.3 | -37.1 | 172.9 | -72.9 | -177.9 | 176.1 | 0 | 0 | 112 | E275 E276 A277 Q317 | E275-E279 PolarHBondContact O-N 3.14Å; E276-E279 PolarHBondContact O-N 3.05Å; A277-E279 VanDerWaalsContact C-N 3.34Å; E279-Q317 PolarHBondContact OE1-NE2 3.36Å |
| 280 | K | 93.1 | Very high | 94.4 | Very high | 136 Ų | 136 | 64.7 Ų | 64.7 | 59% | 0.591 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -79.7 | -46.9 | -178.5 | -169.1 | -177.6 | -179.7 | -163.2 | 0 | 113.8 | E276 A277 L278 F292 | E276-K280 PolarHBondContact O-N 3.43Å; A277-K280 PolarHBondContact O-N 2.99Å; L278-K280 VanDerWaalsContact C-N 3.34Å; K280-F292 HydrophobicContact CD-CE2 4.25Å; K280-F292 HydrophobicContact CD-CZ 4.34Å |
| 281 | Y | 92.9 | Very high | 94.5 | Very high | 49 Ų | 49 | 68.1 Ų | 68.1 | 19% | 0.192 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -108.4 | -3 | -170.9 | -63.5 | -56.1 | 0 | 0 | 0 | 113.8 | A277 K283 C284 E287 I288 D291 F292 | A277-Y281 PolarHBondContact O-N 3.49Å; Y281-K283 PolarHBondContact O-N 3.45Å; Y281-C284 WeakPolarHBondContact O-CB 3.4Å; Y281-C284 PolarHBondContact O-N 2.93Å; Y281-E287 HydrophobicContact CD1-CB 4.25Å; Y281-E287 VanDerWaalsContact CD1-OE2 3.31Å; Y281-E287 WeakPolarHBondContact CD1-OE2 3.21Å; Y281-E287 HydrophobicContact CD2-CB 4.3Å; Y281-E287 HydrophobicContact CG-CB 4.09Å; Y281-I288 HydrophobicContact CD2-CG1 4.34Å; Y281-D291 HydrophobicContact CE2-CB 4Å; Y281-D291 WeakPolarHBondContact CE2-OD2 3.42Å; Y281-D291 PolarHBondContact OH-OD2 2.91Å; Y281-F292 HydrophobicContact CD2-CD2 4.38Å; Y281-F292 HydrophobicContact CD2-CE2 4.13Å; Y281-F292 AromaticContact CE2-CD2 3.99Å; Y281-F292 HydrophobicContact CE2-CD2 3.99Å; Y281-F292 AromaticContact CE2-CE2 3.61Å; Y281-F292 HydrophobicContact CE2-CE2 3.61Å |
| 282 | G | 91.6 | Very high | 94.7 | Very high | 33 Ų | 33 | 69.6 Ų | 69.6 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -135.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L278 C284 I288 | L278-G282 VanDerWaalsContact CD1-O 3.31Å; L278-G282 WeakPolarHBondContact CD1-O 3.43Å; L278-G282 WeakPolarHBondContact O-CA 3.47Å; L278-G282 PolarHBondContact O-N 3.31Å; G282-C284 VanDerWaalsContact C-N 3.27Å; G282-C284 PolarHBondContact O-N 3.38Å; G282-I288 WeakPolarHBondContact O-CD1 3.37Å |
| 283 | K | 92.7 | Very high | 94.9 | Very high | 136 Ų | 136 | 65.3 Ų | 65.3 | 59% | 0.591 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 23 | -177.2 | -55.5 | -176.9 | -164.1 | 177.5 | 0 | 113.8 | Y281 F285 Y305 | Y281-K283 PolarHBondContact O-N 3.45Å; K283-F285 VanDerWaalsContact C-N 3.28Å; K283-F285 HydrophobicContact CB-CE2 4.28Å; K283-F285 HydrophobicContact CB-CZ 4.41Å; K283-F285 WeakPolarHBondContact O-CD2 3.11Å; K283-F285 PolarHBondContact O-N 2.94Å; K283-Y305 WeakPolarHBondContact CE-OH 3.3Å |
| 284 | C | 93.3 | Very high | 94.9 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | trans | -79.8 | 73.6 | 175.2 | -66.6 | 0 | 0 | 0 | 0 | 110.6 | Y281 G282 Y286 E287 I288 | Y281-C284 WeakPolarHBondContact O-CB 3.4Å; Y281-C284 PolarHBondContact O-N 2.93Å; G282-C284 VanDerWaalsContact C-N 3.27Å; G282-C284 PolarHBondContact O-N 3.38Å; C284-Y286 PolarHBondContact O-N 3.03Å; C284-Y286 VanDerWaalsContact O-N 3.12Å; C284-E287 HydrophobicContact CB-CB 4.11Å; C284-E287 HydrophobicContact CB-CG 4.1Å; C284-E287 PolarHBondContact O-N 2.83Å; C284-I288 PolarHBondContact O-N 3.26Å | ||
| 285 | F | 96 | Very high | 94.9 | Very high | 34 Ų | 34 | 73.8 Ų | 73.8 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.3 | -29.5 | -172.9 | -62.1 | -69.1 | 0 | 0 | 0 | 114.5 | F274 K283 I288 Q289 L301 V302 Y305 | F274-F285 HydrophobicContact CE2-CE1 4.38Å; F274-F285 HydrophobicContact CZ-CE1 4.35Å; K283-F285 VanDerWaalsContact C-N 3.28Å; K283-F285 HydrophobicContact CB-CE2 4.28Å; K283-F285 HydrophobicContact CB-CZ 4.41Å; K283-F285 WeakPolarHBondContact O-CD2 3.11Å; K283-F285 PolarHBondContact O-N 2.94Å; F285-I288 HydrophobicContact CD1-CD1 4.37Å; F285-Q289 WeakPolarHBondContact O-CB 3.28Å; F285-Q289 PolarHBondContact O-N 3.01Å; F285-L301 HydrophobicContact CB-CD1 4.5Å; F285-L301 HydrophobicContact CD1-CB 4.02Å; F285-L301 WeakPolarHBondContact O-CD1 3.39Å; F285-V302 HydrophobicContact CB-CG2 4.48Å; F285-V302 HydrophobicContact CD1-CG2 4.3Å; F285-V302 HydrophobicContact CD2-CG2 3.55Å; F285-V302 HydrophobicContact CE1-CG2 4.45Å; F285-V302 HydrophobicContact CE2-CG2 3.73Å; F285-V302 HydrophobicContact CG-CG2 3.86Å; F285-V302 HydrophobicContact CZ-CG2 4.18Å; F285-Y305 HydrophobicContact CE1-CD2 4.46Å; F285-Y305 HydrophobicContact CE1-CG 4.09Å; F285-Y305 AromaticContact CZ-CD1 4Å; F285-Y305 HydrophobicContact CZ-CD1 4Å; F285-Y305 HydrophobicContact CZ-CD2 4.44Å; F285-Y305 AromaticContact CZ-CG 3.91Å; F285-Y305 HydrophobicContact CZ-CG 3.91Å |
| 286 | Y | 95.6 | Very high | 94.9 | Very high | 168 Ų | 168 | 73.4 Ų | 73.4 | 66% | 0.659 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.9 | -38.5 | 175.2 | -71 | -77.5 | 0 | 0 | 0 | 112.3 | C284 Q289 N290 P298 | C284-Y286 PolarHBondContact O-N 3.03Å; C284-Y286 VanDerWaalsContact O-N 3.12Å; Y286-Q289 PolarHBondContact O-N 3.23Å; Y286-N290 WeakPolarHBondContact O-CB 3.44Å; Y286-N290 PolarHBondContact O-N 3.29Å; Y286-N290 PolarHBondContact O-ND2 3.2Å; Y286-N290 PolarHBondContact O-OD1 3.22Å; Y286-P298 HydrophobicContact CD1-CG 4.01Å; Y286-P298 HydrophobicContact CE1-CB 4.13Å; Y286-P298 HydrophobicContact CE1-CG 3.66Å |
| 287 | E | 95.6 | Very high | 94.9 | Very high | 93 Ų | 93 | 76.4 Ų | 76.4 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.8 | -41.6 | 175.3 | -63.5 | 179.5 | 177.9 | 0 | 0 | 110.8 | Y281 C284 Q289 N290 D291 | Y281-E287 HydrophobicContact CD1-CB 4.25Å; Y281-E287 VanDerWaalsContact CD1-OE2 3.31Å; Y281-E287 WeakPolarHBondContact CD1-OE2 3.21Å; Y281-E287 HydrophobicContact CD2-CB 4.3Å; Y281-E287 HydrophobicContact CG-CB 4.09Å; C284-E287 HydrophobicContact CB-CB 4.11Å; C284-E287 HydrophobicContact CB-CG 4.1Å; C284-E287 PolarHBondContact O-N 2.83Å; E287-Q289 VanDerWaalsContact C-N 3.3Å; E287-Q289 PolarHBondContact O-N 3.5Å; E287-N290 PolarHBondContact O-N 3.16Å; E287-D291 PolarHBondContact O-N 3.36Å |
| 288 | I | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 172.6 | -65.6 | 176 | 0 | 0 | 0 | 110.9 | F274 A277 L278 Y281 G282 C284 F285 F292 L293 L301 | F274-I288 HydrophobicContact CD2-CG2 4.19Å; F274-I288 HydrophobicContact CE2-CD1 4.49Å; A277-I288 HydrophobicContact CB-CB 4.21Å; A277-I288 HydrophobicContact CB-CD1 4.44Å; A277-I288 HydrophobicContact CB-CG1 3.89Å; A277-I288 HydrophobicContact CB-CG2 3.71Å; L278-I288 HydrophobicContact CD1-CD1 4.23Å; Y281-I288 HydrophobicContact CD2-CG1 4.34Å; G282-I288 WeakPolarHBondContact O-CD1 3.37Å; C284-I288 PolarHBondContact O-N 3.26Å; F285-I288 HydrophobicContact CD1-CD1 4.37Å; I288-F292 WeakPolarHBondContact O-CB 3.26Å; I288-F292 PolarHBondContact O-N 3.45Å; I288-L293 PolarHBondContact O-N 3.01Å; I288-L301 HydrophobicContact CB-CD1 4.46Å; I288-L301 HydrophobicContact CG2-CD1 4.12Å |
| 289 | Q | 97 | Very high | 94.9 | Very high | 33 Ų | 33 | 84.1 Ų | 84.1 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 177.5 | -169.1 | -167.3 | 7 | 0 | 0 | 111 | F285 Y286 E287 D291 L293 P294 K296 P298 L301 | F285-Q289 WeakPolarHBondContact O-CB 3.28Å; F285-Q289 PolarHBondContact O-N 3.01Å; Y286-Q289 PolarHBondContact O-N 3.23Å; E287-Q289 VanDerWaalsContact C-N 3.3Å; E287-Q289 PolarHBondContact O-N 3.5Å; Q289-D291 VanDerWaalsContact C-N 3.32Å; Q289-D291 PolarHBondContact O-N 3.44Å; Q289-L293 CarbonylContact O-C 3.58Å; Q289-L293 PolarHBondContact O-N 3.35Å; Q289-P294 WeakPolarHBondContact O-CA 3.45Å; Q289-K296 VanDerWaalsContact CG-O 3.31Å; Q289-K296 WeakPolarHBondContact CG-O 3.37Å; Q289-K296 PolarHBondContact NE2-O 2.89Å; Q289-P298 VanDerWaalsContact OE1-CG 3.24Å; Q289-L301 HydrophobicContact CB-CD1 3.72Å; Q289-L301 HydrophobicContact CG-CD1 4.33Å |
| 290 | N | 96.1 | Very high | 95.1 | Very high | 112 Ų | 112 | 77.5 Ų | 77.5 | 60% | 0.599 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | -174.1 | -69.4 | -20.3 | 0 | 0 | 0 | 112.4 | Y286 E287 | Y286-N290 WeakPolarHBondContact O-CB 3.44Å; Y286-N290 PolarHBondContact O-N 3.29Å; Y286-N290 PolarHBondContact O-ND2 3.2Å; Y286-N290 PolarHBondContact O-OD1 3.22Å; E287-N290 PolarHBondContact O-N 3.16Å |
| 291 | D | 95.7 | Very high | 95.2 | Very high | 98 Ų | 98 | 71 Ų | 71 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -98.1 | -36.3 | -170.1 | -73.6 | 8.9 | 0 | 0 | 0 | 114 | Y281 E287 Q289 | Y281-D291 HydrophobicContact CE2-CB 4Å; Y281-D291 WeakPolarHBondContact CE2-OD2 3.42Å; Y281-D291 PolarHBondContact OH-OD2 2.91Å; E287-D291 PolarHBondContact O-N 3.36Å; Q289-D291 VanDerWaalsContact C-N 3.32Å; Q289-D291 PolarHBondContact O-N 3.44Å |
| 292 | F | 96.5 | Very high | 95.4 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -37.1 | -171.3 | -75.3 | -102.8 | 0 | 0 | 0 | 113.5 | L273 E276 A277 K280 Y281 I288 | L273-F292 HydrophobicContact CB-CD1 4.46Å; L273-F292 HydrophobicContact CD2-CD1 4.11Å; L273-F292 WeakPolarHBondContact O-CD1 3.47Å; E276-F292 HydrophobicContact CB-CE1 3.99Å; A277-F292 HydrophobicContact CB-CB 3.86Å; A277-F292 HydrophobicContact CB-CD1 3.83Å; A277-F292 HydrophobicContact CB-CD2 3.46Å; A277-F292 VanDerWaalsContact CB-CD2 3.46Å; A277-F292 HydrophobicContact CB-CE1 4.19Å; A277-F292 HydrophobicContact CB-CE2 3.86Å; A277-F292 HydrophobicContact CB-CG 3.45Å; A277-F292 VanDerWaalsContact CB-CG 3.45Å; A277-F292 HydrophobicContact CB-CZ 4.2Å; K280-F292 HydrophobicContact CD-CE2 4.25Å; K280-F292 HydrophobicContact CD-CZ 4.34Å; Y281-F292 HydrophobicContact CD2-CD2 4.38Å; Y281-F292 HydrophobicContact CD2-CE2 4.13Å; Y281-F292 AromaticContact CE2-CD2 3.99Å; Y281-F292 HydrophobicContact CE2-CD2 3.99Å; Y281-F292 AromaticContact CE2-CE2 3.61Å; Y281-F292 HydrophobicContact CE2-CE2 3.61Å; I288-F292 WeakPolarHBondContact O-CB 3.26Å; I288-F292 PolarHBondContact O-N 3.45Å |
| 293 | L | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -136.2 | 60.9 | -171.1 | -65.7 | 171 | 0 | 0 | 0 | 112.9 | W266 E270 L273 F274 I288 Q289 W295 K296 L301 | W266-L293 HydrophobicContact CH2-CD1 3.83Å; W266-L293 HydrophobicContact CZ3-CD1 3.87Å; E270-L293 HydrophobicContact CB-CD2 4.27Å; E270-L293 HydrophobicContact CG-CD2 4.13Å; L273-L293 HydrophobicContact CB-CD2 4.26Å; L273-L293 HydrophobicContact CD1-CD2 4.22Å; F274-L293 HydrophobicContact CB-CD1 3.97Å; F274-L293 HydrophobicContact CD2-CD1 4.3Å; I288-L293 PolarHBondContact O-N 3.01Å; Q289-L293 CarbonylContact O-C 3.58Å; Q289-L293 PolarHBondContact O-N 3.35Å; L293-W295 HydrophobicContact CD2-CH2 4.23Å; L293-W295 HydrophobicContact CD2-CZ2 3.58Å; L293-W295 PolarHBondContact O-N 3.31Å; L293-W295 VanDerWaalsContact O-N 3.13Å; L293-K296 HydrophobicContact CB-CB 4.17Å; L293-K296 HydrophobicContact CB-CG 4.12Å; L293-K296 PolarHBondContact O-N 3.47Å; L293-L301 HydrophobicContact CB-CD2 4.26Å; L293-L301 HydrophobicContact CD1-CD2 3.67Å | ||
| 294 | P | 96.2 | Very high | 95.7 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.4 | -173.9 | 24.6 | -34.3 | 0 | 0 | 0 | 114 | Q289 | Q289-P294 WeakPolarHBondContact O-CA 3.45Š|
| 295 | W | 95.8 | Very high | 95.8 | Very high | 153 Ų | 153 | 64.1 Ų | 64.1 | 58% | 0.58 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -7.4 | 175.6 | 58.9 | 87.4 | 0 | 0 | 0 | 114.1 | E270 L273 L293 | E270-W295 HydrophobicContact CG-CZ2 4.27Å; E270-W295 PolarHBondContact OE1-NE1 3.24Å; L273-W295 HydrophobicContact CD1-CH2 4.47Å; L293-W295 HydrophobicContact CD2-CH2 4.23Å; L293-W295 HydrophobicContact CD2-CZ2 3.58Å; L293-W295 PolarHBondContact O-N 3.31Å; L293-W295 VanDerWaalsContact O-N 3.13Å |
| 296 | K | 95.6 | Very high | 95.8 | Very high | 24 Ų | 24 | 69.2 Ų | 69.2 | 10% | 0.104 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -93.9 | 150.7 | 174.1 | -66.6 | -72.6 | -179.8 | 168.7 | 0 | 109.8 | W266 E270 Q289 L293 L301 | W266-K296 VanDerWaalsContact CD1-NZ 3.27Å; W266-K296 HydrophobicContact CZ2-CD 4.19Å; W266-K296 HydrophobicContact CZ2-CG 4.41Å; E270-K296 WeakPolarHBondContact OE1-CE 3.47Å; E270-K296 IonicContact OE1-NZ 3.21Å; E270-K296 PolarHBondContact OE1-NZ 3.15Å; E270-K296 IonicContact OE2-NZ 3.15Å; Q289-K296 VanDerWaalsContact CG-O 3.31Å; Q289-K296 WeakPolarHBondContact CG-O 3.37Å; Q289-K296 PolarHBondContact NE2-O 2.89Å; L293-K296 HydrophobicContact CB-CB 4.17Å; L293-K296 HydrophobicContact CB-CG 4.12Å; L293-K296 PolarHBondContact O-N 3.47Å; K296-L301 HydrophobicContact CB-CD2 3.84Å; K296-L301 HydrophobicContact CB-CG 4.29Å; K296-L301 HydrophobicContact CG-CD2 4.38Å |
| 297 | Y | 94.7 | Very high | 95.6 | Very high | 177 Ų | 177 | 62.6 Ų | 62.6 | 69% | 0.694 | 29% | 0.292 | S | S | * | . | trans | -88.2 | 151.3 | 174.2 | -67.7 | -76.3 | 0 | 0 | 0 | 111 | K299 S300 L301 | Y297-K299 PolarHBondContact O-N 3.39Å; Y297-K299 VanDerWaalsContact O-N 3.14Å; Y297-S300 WeakPolarHBondContact O-CA 3.32Å; Y297-S300 WeakPolarHBondContact O-CB 3.32Å; Y297-S300 PolarHBondContact O-N 2.99Å; Y297-L301 PolarHBondContact O-N 3.29Å | ||
| 298 | P | 94.2 | Very high | 95.4 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.2 | -39.1 | 175.9 | -27.6 | 34.7 | 0 | 0 | 0 | 113.1 | Y286 Q289 S300 L301 V302 | Y286-P298 HydrophobicContact CD1-CG 4.01Å; Y286-P298 HydrophobicContact CE1-CB 4.13Å; Y286-P298 HydrophobicContact CE1-CG 3.66Å; Q289-P298 VanDerWaalsContact OE1-CG 3.24Å; P298-S300 VanDerWaalsContact C-N 3.34Å; P298-S300 PolarHBondContact O-N 3.41Å; P298-L301 PolarHBondContact O-N 3.5Å; P298-V302 VanDerWaalsContact O-CG2 3.26Å; P298-V302 WeakPolarHBondContact O-CG2 3.49Å; P298-V302 PolarHBondContact O-N 3.34Å |
| 299 | K | 95 | Very high | 95.2 | Very high | 162 Ų | 162 | 61.9 Ų | 61.9 | 70% | 0.704 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 175.9 | -173.1 | -167.4 | 170.2 | -155.9 | 0 | 112.1 | Y297 V302 E303 | Y297-K299 PolarHBondContact O-N 3.39Å; Y297-K299 VanDerWaalsContact O-N 3.14Å; K299-V302 PolarHBondContact O-N 2.97Å; K299-E303 VanDerWaalsContact O-CB 3.32Å; K299-E303 WeakPolarHBondContact O-CB 3.38Å; K299-E303 PolarHBondContact O-N 3.36Å |
| 300 | S | 95.4 | Very high | 94.8 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 178.7 | 159.2 | 0 | 0 | 0 | 0 | 111 | E262 Y297 P298 V302 E303 F304 | E262-S300 WeakPolarHBondContact OE1-CB 3.17Å; E262-S300 PolarHBondContact OE1-OG 2.83Å; E262-S300 WeakPolarHBondContact OE2-CB 3.38Å; E262-S300 PolarHBondContact OE2-OG 3.38Å; Y297-S300 WeakPolarHBondContact O-CA 3.32Å; Y297-S300 WeakPolarHBondContact O-CB 3.32Å; Y297-S300 PolarHBondContact O-N 2.99Å; P298-S300 VanDerWaalsContact C-N 3.34Å; P298-S300 PolarHBondContact O-N 3.41Å; S300-V302 PolarHBondContact O-N 3Å; S300-E303 PolarHBondContact O-N 3.15Å; S300-F304 VanDerWaalsContact O-CB 3.27Å; S300-F304 WeakPolarHBondContact O-CB 3.37Å; S300-F304 PolarHBondContact O-N 3.05Å |
| 301 | L | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.3 | -61.1 | 180 | 0 | 0 | 0 | 112.3 | W266 F274 F285 I288 Q289 L293 K296 Y297 P298 Y305 | W266-L301 HydrophobicContact CH2-CD2 3.55Å; W266-L301 HydrophobicContact CZ2-CD2 3.88Å; F274-L301 HydrophobicContact CD2-CD2 4.22Å; F274-L301 HydrophobicContact CE2-CB 4.47Å; F285-L301 HydrophobicContact CB-CD1 4.5Å; F285-L301 HydrophobicContact CD1-CB 4.02Å; F285-L301 WeakPolarHBondContact O-CD1 3.39Å; I288-L301 HydrophobicContact CB-CD1 4.46Å; I288-L301 HydrophobicContact CG2-CD1 4.12Å; Q289-L301 HydrophobicContact CB-CD1 3.72Å; Q289-L301 HydrophobicContact CG-CD1 4.33Å; L293-L301 HydrophobicContact CB-CD2 4.26Å; L293-L301 HydrophobicContact CD1-CD2 3.67Å; K296-L301 HydrophobicContact CB-CD2 3.84Å; K296-L301 HydrophobicContact CB-CG 4.29Å; K296-L301 HydrophobicContact CG-CD2 4.38Å; Y297-L301 PolarHBondContact O-N 3.29Å; P298-L301 PolarHBondContact O-N 3.5Å; L301-Y305 WeakPolarHBondContact O-CB 3.41Å; L301-Y305 PolarHBondContact O-N 2.93Å |
| 302 | V | 96.6 | Very high | 94 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | F285 P298 K299 S300 Y305 Y306 | F285-V302 HydrophobicContact CB-CG2 4.48Å; F285-V302 HydrophobicContact CD1-CG2 4.3Å; F285-V302 HydrophobicContact CD2-CG2 3.55Å; F285-V302 HydrophobicContact CE1-CG2 4.45Å; F285-V302 HydrophobicContact CE2-CG2 3.73Å; F285-V302 HydrophobicContact CG-CG2 3.86Å; F285-V302 HydrophobicContact CZ-CG2 4.18Å; P298-V302 VanDerWaalsContact O-CG2 3.26Å; P298-V302 WeakPolarHBondContact O-CG2 3.49Å; P298-V302 PolarHBondContact O-N 3.34Å; K299-V302 PolarHBondContact O-N 2.97Å; S300-V302 PolarHBondContact O-N 3Å; V302-Y305 WeakPolarHBondContact O-CB 3.41Å; V302-Y305 PolarHBondContact O-N 3.1Å; V302-Y306 HydrophobicContact CG1-CD2 4.05Å; V302-Y306 HydrophobicContact CG1-CE2 3.87Å; V302-Y306 WeakPolarHBondContact O-CD2 3.16Å; V302-Y306 PolarHBondContact O-N 3.12Å |
| 303 | E | 95 | Very high | 93.5 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 178.7 | -176.4 | 170.1 | 171.8 | 0 | 0 | 110.7 | E262 K299 S300 Y305 Y306 M307 | E262-E303 HydrophobicContact CB-CG 4.19Å; E262-E303 HydrophobicContact CG-CB 3.97Å; E262-E303 HydrophobicContact CG-CG 3.73Å; K299-E303 VanDerWaalsContact O-CB 3.32Å; K299-E303 WeakPolarHBondContact O-CB 3.38Å; K299-E303 PolarHBondContact O-N 3.36Å; S300-E303 PolarHBondContact O-N 3.15Å; E303-Y305 VanDerWaalsContact C-N 3.32Å; E303-Y305 PolarHBondContact O-N 3.38Å; E303-Y306 PolarHBondContact O-N 3.23Å; E303-M307 WeakPolarHBondContact O-CG 3.41Å; E303-M307 PolarHBondContact O-N 3.16Å |
| 304 | F | 95.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 174.2 | -177.4 | -98.9 | 0 | 0 | 0 | 112.4 | E262 M263 W266 F274 S300 Y306 M307 W308 | E262-F304 HydrophobicContact CB-CB 4.25Å; M263-F304 HydrophobicContact CE-CE2 4.2Å; M263-F304 HydrophobicContact SD-CE2 4.18Å; W266-F304 HydrophobicContact CB-CD2 4.12Å; W266-F304 HydrophobicContact CB-CE2 3.78Å; W266-F304 AromaticContact CD1-CD2 3.99Å; W266-F304 HydrophobicContact CD2-CB 4.25Å; W266-F304 HydrophobicContact CD2-CD1 4.1Å; W266-F304 AromaticContact CD2-CD2 3.38Å; W266-F304 HydrophobicContact CD2-CD2 3.38Å; W266-F304 HydrophobicContact CD2-CE1 4.31Å; W266-F304 AromaticContact CD2-CE2 3.64Å; W266-F304 HydrophobicContact CD2-CE2 3.64Å; W266-F304 AromaticContact CD2-CG 3.63Å; W266-F304 HydrophobicContact CD2-CG 3.63Å; W266-F304 HydrophobicContact CD2-CZ 4.1Å; W266-F304 AromaticContact CE2-CD2 3.62Å; W266-F304 AromaticContact CE2-CG 3.52Å; W266-F304 AromaticContact CE3-CD1 3.73Å; W266-F304 HydrophobicContact CE3-CD1 3.73Å; W266-F304 AromaticContact CE3-CD2 3.75Å; W266-F304 HydrophobicContact CE3-CD2 3.75Å; W266-F304 AromaticContact CE3-CE1 3.66Å; W266-F304 HydrophobicContact CE3-CE1 3.66Å; W266-F304 AromaticContact CE3-CE2 3.68Å; W266-F304 HydrophobicContact CE3-CE2 3.68Å; W266-F304 AromaticContact CE3-CG 3.77Å; W266-F304 HydrophobicContact CE3-CG 3.77Å; W266-F304 AromaticContact CE3-CZ 3.64Å; W266-F304 HydrophobicContact CE3-CZ 3.64Å; W266-F304 AromaticContact CG-CD2 3.59Å; W266-F304 HydrophobicContact CG-CD2 3.59Å; W266-F304 AromaticContact CG-CE2 3.74Å; W266-F304 HydrophobicContact CG-CE2 3.74Å; W266-F304 HydrophobicContact CG-CG 4.31Å; W266-F304 HydrophobicContact CH2-CB 3.87Å; W266-F304 AromaticContact CH2-CD1 3.51Å; W266-F304 HydrophobicContact CH2-CD1 3.51Å; W266-F304 HydrophobicContact CH2-CD2 4.42Å; W266-F304 HydrophobicContact CH2-CE1 4.16Å; W266-F304 AromaticContact CH2-CG 3.67Å; W266-F304 HydrophobicContact CH2-CG 3.67Å; W266-F304 HydrophobicContact CZ2-CB 3.38Å; W266-F304 AromaticContact CZ2-CD1 3.92Å; W266-F304 HydrophobicContact CZ2-CD1 3.92Å; W266-F304 HydrophobicContact CZ2-CD2 4.15Å; W266-F304 AromaticContact CZ2-CG 3.55Å; W266-F304 HydrophobicContact CZ2-CG 3.55Å; W266-F304 HydrophobicContact CZ3-CB 4.49Å; W266-F304 AromaticContact CZ3-CD1 3.43Å; W266-F304 HydrophobicContact CZ3-CD1 3.43Å; W266-F304 VanDerWaalsContact CZ3-CD1 3.43Å; W266-F304 HydrophobicContact CZ3-CD2 4.26Å; W266-F304 AromaticContact CZ3-CE1 3.58Å; W266-F304 HydrophobicContact CZ3-CE1 3.58Å; W266-F304 HydrophobicContact CZ3-CE2 4.38Å; W266-F304 AromaticContact CZ3-CG 3.8Å; W266-F304 HydrophobicContact CZ3-CG 3.8Å; W266-F304 HydrophobicContact CZ3-CZ 4.07Å; W266-F304 AromaticContact NE1-CD2 3.96Å; F274-F304 HydrophobicContact CB-CE1 4.41Å; F274-F304 AromaticContact CD1-CD1 3.83Å; F274-F304 HydrophobicContact CD1-CD1 3.83Å; F274-F304 AromaticContact CD1-CE1 3.67Å; F274-F304 HydrophobicContact CD1-CE1 3.67Å; F274-F304 HydrophobicContact CD2-CD1 4.44Å; F274-F304 HydrophobicContact CE1-CD1 4.01Å; F274-F304 HydrophobicContact CE1-CE1 4.18Å; F274-F304 HydrophobicContact CG-CD1 4.07Å; F274-F304 HydrophobicContact CG-CE1 4.07Å; F274-F304 HydrophobicContact CZ-CD1 4.4Å; S300-F304 VanDerWaalsContact O-CB 3.27Å; S300-F304 WeakPolarHBondContact O-CB 3.37Å; S300-F304 PolarHBondContact O-N 3.05Å; F304-Y306 VanDerWaalsContact C-N 3.32Å; F304-Y306 PolarHBondContact O-N 3.42Å; F304-M307 PolarHBondContact O-N 2.95Å; F304-W308 HydrophobicContact CD1-CB 4.38Å; F304-W308 HydrophobicContact CE1-CB 4.09Å; F304-W308 HydrophobicContact CE1-CG 4.35Å; F304-W308 HydrophobicContact CZ-CB 4.38Å; F304-W308 WeakPolarHBondContact O-CB 3.42Å; F304-W308 PolarHBondContact O-N 3.39Å |
| 305 | Y | 96.1 | Very high | 93 | Very high | 13 Ų | 13 | 64 Ų | 64 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.9 | -46.7 | 176.8 | 170.8 | -104.5 | 0 | 0 | 0 | 112.4 | F274 L278 K283 F285 L301 V302 E303 K309 | F274-Y305 HydrophobicContact CE1-CD2 4.38Å; F274-Y305 HydrophobicContact CZ-CD2 4.06Å; F274-Y305 HydrophobicContact CZ-CG 4.43Å; L278-Y305 HydrophobicContact CD1-CD2 4.1Å; L278-Y305 HydrophobicContact CD1-CE2 4.14Å; L278-Y305 HydrophobicContact CD2-CD2 4.39Å; L278-Y305 HydrophobicContact CD2-CE2 4.22Å; K283-Y305 WeakPolarHBondContact CE-OH 3.3Å; F285-Y305 HydrophobicContact CE1-CD2 4.46Å; F285-Y305 HydrophobicContact CE1-CG 4.09Å; F285-Y305 AromaticContact CZ-CD1 4Å; F285-Y305 HydrophobicContact CZ-CD1 4Å; F285-Y305 HydrophobicContact CZ-CD2 4.44Å; F285-Y305 AromaticContact CZ-CG 3.91Å; F285-Y305 HydrophobicContact CZ-CG 3.91Å; L301-Y305 WeakPolarHBondContact O-CB 3.41Å; L301-Y305 PolarHBondContact O-N 2.93Å; V302-Y305 WeakPolarHBondContact O-CB 3.41Å; V302-Y305 PolarHBondContact O-N 3.1Å; E303-Y305 VanDerWaalsContact C-N 3.32Å; E303-Y305 PolarHBondContact O-N 3.38Å; Y305-K309 HydrophobicContact CD1-CD 4.19Å; Y305-K309 HydrophobicContact CD2-CD 4.44Å; Y305-K309 HydrophobicContact CE1-CD 3.6Å; Y305-K309 HydrophobicContact CE2-CD 3.88Å; Y305-K309 HydrophobicContact CE2-CG 4.4Å; Y305-K309 VanDerWaalsContact CZ-CD 3.42Å; Y305-K309 VanDerWaalsContact O-CG 3.3Å; Y305-K309 WeakPolarHBondContact O-CG 3.07Å; Y305-K309 PolarHBondContact O-N 3.19Å; Y305-K309 VanDerWaalsContact O-N 3.13Å |
| 306 | Y | 94.8 | Very high | 92.8 | Very high | 141 Ų | 141 | 62 Ų | 62 | 55% | 0.553 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -71.6 | -37.1 | -179.8 | -77 | -74.8 | 0 | 0 | 0 | 112.4 | V302 E303 F304 K309 | V302-Y306 HydrophobicContact CG1-CD2 4.05Å; V302-Y306 HydrophobicContact CG1-CE2 3.87Å; V302-Y306 WeakPolarHBondContact O-CD2 3.16Å; V302-Y306 PolarHBondContact O-N 3.12Å; E303-Y306 PolarHBondContact O-N 3.23Å; F304-Y306 VanDerWaalsContact C-N 3.32Å; F304-Y306 PolarHBondContact O-N 3.42Å; Y306-K309 PolarHBondContact O-N 3.07Å |
| 307 | M | 91.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 15% | 0.148 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 173.9 | -60.7 | -168.8 | 82.2 | 0 | 0 | 111.6 | D261 E262 M263 E303 F304 K309 T310 | D261-M307 HydrophobicContact CB-CE 3.65Å; D261-M307 HydrophobicContact CB-SD 3.91Å; D261-M307 WeakPolarHBondContact OD2-CE 3.2Å; E262-M307 HydrophobicContact CB-SD 4.23Å; M263-M307 HydrophobicContact CB-CB 4.15Å; M263-M307 HydrophobicContact CB-CE 3.67Å; M263-M307 HydrophobicContact CB-SD 3.83Å; M263-M307 HydrophobicContact CE-CB 3.69Å; E303-M307 WeakPolarHBondContact O-CG 3.41Å; E303-M307 PolarHBondContact O-N 3.16Å; F304-M307 PolarHBondContact O-N 2.95Å; M307-K309 VanDerWaalsContact C-N 3.26Å; M307-K309 PolarHBondContact O-N 3.11Å; M307-T310 PolarHBondContact O-N 3.35Å; M307-T310 PolarHBondContact O-OG1 3.08Å |
| 308 | W | 91.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 5% | 0.045 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 178 | 175.9 | 80.9 | 0 | 0 | 0 | 112 | M263 E275 L278 F304 T310 T311 H313 Y314 | M263-W308 VanDerWaalsContact CE-CA 3.44Å; M263-W308 HydrophobicContact CE-CB 4.11Å; M263-W308 VanDerWaalsContact CE-N 3.28Å; E275-W308 HydrophobicContact CG-CH2 4.48Å; E275-W308 HydrophobicContact CG-CZ2 3.68Å; E275-W308 PolarHBondContact OE1-NE1 3.29Å; L278-W308 HydrophobicContact CD2-CH2 3.89Å; L278-W308 HydrophobicContact CD2-CZ3 3.58Å; F304-W308 HydrophobicContact CD1-CB 4.38Å; F304-W308 HydrophobicContact CE1-CB 4.09Å; F304-W308 HydrophobicContact CE1-CG 4.35Å; F304-W308 HydrophobicContact CZ-CB 4.38Å; F304-W308 WeakPolarHBondContact O-CB 3.42Å; F304-W308 PolarHBondContact O-N 3.39Å; W308-T310 PolarHBondContact O-N 3.42Å; W308-T310 VanDerWaalsContact O-N 3.12Å; W308-T311 WeakPolarHBondContact O-CB 3.35Å; W308-T311 PolarHBondContact O-N 2.8Å; W308-T311 PolarHBondContact O-OG1 2.94Å; W308-H313 AromaticContact NE1-ND1 3.61Å; W308-Y314 HydrophobicContact CD2-CD2 4.2Å; W308-Y314 AromaticContact CE3-CD2 3.65Å; W308-Y314 HydrophobicContact CE3-CD2 3.65Å; W308-Y314 HydrophobicContact CE3-CE2 4.2Å; W308-Y314 HydrophobicContact CE3-CG 4.35Å; W308-Y314 AromaticContact CH2-CD2 3.44Å; W308-Y314 HydrophobicContact CH2-CD2 3.44Å; W308-Y314 VanDerWaalsContact CH2-CD2 3.44Å; W308-Y314 AromaticContact CH2-CE2 3.96Å; W308-Y314 HydrophobicContact CH2-CE2 3.96Å; W308-Y314 AromaticContact CZ2-CD2 3.97Å; W308-Y314 HydrophobicContact CZ2-CD2 3.97Å; W308-Y314 AromaticContact CZ3-CD2 3.25Å; W308-Y314 HydrophobicContact CZ3-CD2 3.25Å; W308-Y314 AromaticContact CZ3-CE2 3.57Å; W308-Y314 HydrophobicContact CZ3-CE2 3.57Å; W308-Y314 HydrophobicContact CZ3-CG 4.33Å; W308-Y314 WeakPolarHBondContact O-CB 3.3Å |
| 309 | K | 92.9 | Very high | 92.1 | Very high | 66 Ų | 66 | 67.2 Ų | 67.2 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.6 | 174.5 | -76.3 | 177.3 | 66 | -178.4 | 0 | 115.6 | Y305 Y306 M307 Y314 | Y305-K309 HydrophobicContact CD1-CD 4.19Å; Y305-K309 HydrophobicContact CD2-CD 4.44Å; Y305-K309 HydrophobicContact CE1-CD 3.6Å; Y305-K309 HydrophobicContact CE2-CD 3.88Å; Y305-K309 HydrophobicContact CE2-CG 4.4Å; Y305-K309 VanDerWaalsContact CZ-CD 3.42Å; Y305-K309 VanDerWaalsContact O-CG 3.3Å; Y305-K309 WeakPolarHBondContact O-CG 3.07Å; Y305-K309 PolarHBondContact O-N 3.19Å; Y305-K309 VanDerWaalsContact O-N 3.13Å; Y306-K309 PolarHBondContact O-N 3.07Å; M307-K309 VanDerWaalsContact C-N 3.26Å; M307-K309 PolarHBondContact O-N 3.11Å; K309-Y314 VanDerWaalsContact CA-CD1 3.5Å; K309-Y314 HydrophobicContact CB-CD1 4.07Å; K309-Y314 HydrophobicContact CB-CE1 4.04Å; K309-Y314 HydrophobicContact CB-CG 4.42Å; K309-Y314 HydrophobicContact CG-CD1 4.2Å; K309-Y314 HydrophobicContact CG-CD2 4.21Å; K309-Y314 HydrophobicContact CG-CE1 3.9Å; K309-Y314 HydrophobicContact CG-CE2 3.93Å; K309-Y314 HydrophobicContact CG-CG 4.31Å; K309-Y314 WeakPolarHBondContact O-CD1 3.3Å |
| 310 | T | 89 | Confident | 91.9 | Very high | 115 Ų | 115 | 64.7 Ų | 64.7 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -4.3 | 175.4 | 65 | 0 | 0 | 0 | 0 | 113.4 | M307 W308 | M307-T310 PolarHBondContact O-N 3.35Å; M307-T310 PolarHBondContact O-OG1 3.08Å; W308-T310 PolarHBondContact O-N 3.42Å; W308-T310 VanDerWaalsContact O-N 3.12Å |
| 311 | T | 86.1 | Confident | 91.5 | Very high | 32 Ų | 32 | 71.7 Ų | 71.7 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -80.7 | 151.1 | 179.4 | 67.9 | 0 | 0 | 0 | 0 | 112 | M263 W308 H313 Y314 V315 | M263-T311 HydrophobicContact CE-CG2 3.5Å; M263-T311 HydrophobicContact SD-CG2 4.08Å; W308-T311 WeakPolarHBondContact O-CB 3.35Å; W308-T311 PolarHBondContact O-N 2.8Å; W308-T311 PolarHBondContact O-OG1 2.94Å; T311-H313 PolarHBondContact O-N 3.23Å; T311-Y314 PolarHBondContact O-N 3.34Å; T311-Y314 PolarHBondContact OG1-N 3.38Å; T311-V315 PolarHBondContact O-N 3.48Å |
| 312 | D | 87.4 | Confident | 91.1 | Very high | 75 Ų | 75 | 74.6 Ų | 74.6 | 40% | 0.401 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -30.9 | 172.2 | -67.7 | -44.1 | 0 | 0 | 0 | 112.1 | V315 Q316 | D312-V315 PolarHBondContact O-N 3.33Å; D312-Q316 WeakPolarHBondContact O-CB 3.1Å; D312-Q316 VanDerWaalsContact O-CG 3.26Å; D312-Q316 WeakPolarHBondContact O-CG 3.4Å; D312-Q316 PolarHBondContact O-N 2.58Å |
| 313 | H | 86.4 | Confident | 90.7 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 43% | 0.431 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.7 | -51.3 | 175.5 | -175.9 | -100.7 | 0 | 0 | 0 | 111.6 | E275 W308 T311 V315 Q316 Q317 | E275-H313 IonicContact OE1-CE1 2.81Å; E275-H313 PolarHBondContact OE1-CE1 3.46Å; E275-H313 IonicContact OE1-ND1 3.72Å; E275-H313 PolarHBondContact OE1-ND1 3.02Å; E275-H313 IonicContact OE2-CE1 3.7Å; E275-H313 PolarHBondContact OE2-CE1 2.82Å; E275-H313 VanDerWaalsContact OE2-CE1 3.25Å; W308-H313 AromaticContact NE1-ND1 3.61Å; T311-H313 PolarHBondContact O-N 3.23Å; H313-V315 PolarHBondContact O-N 3.13Å; H313-Q316 PolarHBondContact O-N 3.14Å; H313-Q317 PolarHBondContact O-N 3.1Å |
| 314 | Y | 91.3 | Very high | 90.4 | Very high | 51 Ų | 51 | 79.1 Ų | 79.1 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 176 | 173.7 | -103.1 | 0 | 0 | 0 | 112.5 | W308 K309 T311 Q316 Q317 K318 | W308-Y314 HydrophobicContact CD2-CD2 4.2Å; W308-Y314 AromaticContact CE3-CD2 3.65Å; W308-Y314 HydrophobicContact CE3-CD2 3.65Å; W308-Y314 HydrophobicContact CE3-CE2 4.2Å; W308-Y314 HydrophobicContact CE3-CG 4.35Å; W308-Y314 AromaticContact CH2-CD2 3.44Å; W308-Y314 HydrophobicContact CH2-CD2 3.44Å; W308-Y314 VanDerWaalsContact CH2-CD2 3.44Å; W308-Y314 AromaticContact CH2-CE2 3.96Å; W308-Y314 HydrophobicContact CH2-CE2 3.96Å; W308-Y314 AromaticContact CZ2-CD2 3.97Å; W308-Y314 HydrophobicContact CZ2-CD2 3.97Å; W308-Y314 AromaticContact CZ3-CD2 3.25Å; W308-Y314 HydrophobicContact CZ3-CD2 3.25Å; W308-Y314 AromaticContact CZ3-CE2 3.57Å; W308-Y314 HydrophobicContact CZ3-CE2 3.57Å; W308-Y314 HydrophobicContact CZ3-CG 4.33Å; W308-Y314 WeakPolarHBondContact O-CB 3.3Å; K309-Y314 VanDerWaalsContact CA-CD1 3.5Å; K309-Y314 HydrophobicContact CB-CD1 4.07Å; K309-Y314 HydrophobicContact CB-CE1 4.04Å; K309-Y314 HydrophobicContact CB-CG 4.42Å; K309-Y314 HydrophobicContact CG-CD1 4.2Å; K309-Y314 HydrophobicContact CG-CD2 4.21Å; K309-Y314 HydrophobicContact CG-CE1 3.9Å; K309-Y314 HydrophobicContact CG-CE2 3.93Å; K309-Y314 HydrophobicContact CG-CG 4.31Å; K309-Y314 WeakPolarHBondContact O-CD1 3.3Å; T311-Y314 PolarHBondContact O-N 3.34Å; T311-Y314 PolarHBondContact OG1-N 3.38Å; Y314-Q316 VanDerWaalsContact C-N 3.32Å; Y314-Q316 PolarHBondContact O-N 3.06Å; Y314-Q317 PolarHBondContact O-N 3.18Å; Y314-K318 HydrophobicContact CE1-CD 4.46Å; Y314-K318 WeakPolarHBondContact O-CB 3.46Å; Y314-K318 PolarHBondContact O-N 3.22Å |
| 315 | V | 91.6 | Very high | 89.8 | Confident | 42 Ų | 42 | 81.5 Ų | 81.5 | 26% | 0.255 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 179.4 | 176 | 0 | 0 | 0 | 0 | 110.7 | T311 D312 H313 K318 R319 | T311-V315 PolarHBondContact O-N 3.48Å; D312-V315 PolarHBondContact O-N 3.33Å; H313-V315 PolarHBondContact O-N 3.13Å; V315-K318 PolarHBondContact O-N 2.9Å; V315-R319 VanDerWaalsContact O-CG 3.3Å; V315-R319 WeakPolarHBondContact O-CG 3.34Å; V315-R319 PolarHBondContact O-N 3.46Å |
| 316 | Q | 91.3 | Very high | 89.1 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 52% | 0.519 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 175.6 | -73.3 | 174.4 | 13.6 | 0 | 0 | 111.4 | D312 H313 Y314 K318 R319 M320 | D312-Q316 WeakPolarHBondContact O-CB 3.1Å; D312-Q316 VanDerWaalsContact O-CG 3.26Å; D312-Q316 WeakPolarHBondContact O-CG 3.4Å; D312-Q316 PolarHBondContact O-N 2.58Å; H313-Q316 PolarHBondContact O-N 3.14Å; Y314-Q316 VanDerWaalsContact C-N 3.32Å; Y314-Q316 PolarHBondContact O-N 3.06Å; Q316-K318 VanDerWaalsContact C-N 3.31Å; Q316-K318 PolarHBondContact O-N 3Å; Q316-R319 WeakPolarHBondContact O-CB 3.27Å; Q316-R319 PolarHBondContact O-N 3.09Å; Q316-R319 VanDerWaalsContact O-N 3.09Å; Q316-M320 WeakPolarHBondContact O-CG 3.33Å; Q316-M320 PolarHBondContact O-N 3.31Å |
| 317 | Q | 89.3 | Confident | 88.6 | Confident | 61 Ų | 61 | 87.6 Ų | 87.6 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 177.4 | -169.6 | -177.2 | 14.6 | 0 | 0 | 111.7 | E279 H313 Y314 R319 M320 K321 | E279-Q317 PolarHBondContact OE1-NE2 3.36Å; H313-Q317 PolarHBondContact O-N 3.1Å; Y314-Q317 PolarHBondContact O-N 3.18Å; Q317-R319 VanDerWaalsContact C-N 3.35Å; Q317-R319 PolarHBondContact O-N 3.49Å; Q317-M320 PolarHBondContact O-N 3.46Å; Q317-K321 WeakPolarHBondContact O-CB 3.2Å; Q317-K321 PolarHBondContact O-N 3.48Å |
| 318 | K | 89.8 | Confident | 88.2 | Confident | 137 Ų | 137 | 90.6 Ų | 90.6 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 175.7 | -172.7 | -179.2 | 178.1 | -175.5 | 0 | 112.2 | Y314 V315 Q316 A322 | Y314-K318 HydrophobicContact CE1-CD 4.46Å; Y314-K318 WeakPolarHBondContact O-CB 3.46Å; Y314-K318 PolarHBondContact O-N 3.22Å; V315-K318 PolarHBondContact O-N 2.9Å; Q316-K318 VanDerWaalsContact C-N 3.31Å; Q316-K318 PolarHBondContact O-N 3Å; K318-A322 WeakPolarHBondContact O-CB 3.38Å; K318-A322 PolarHBondContact O-N 3.37Å |
| 319 | R | 91.1 | Very high | 88.2 | Confident | 142 Ų | 142 | 93 Ų | 93 | 54% | 0.536 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 175.5 | -74.6 | 174.5 | -174.8 | 177.7 | 3.4 | 111.5 | V315 Q316 Q317 K321 A322 I323 | V315-R319 VanDerWaalsContact O-CG 3.3Å; V315-R319 WeakPolarHBondContact O-CG 3.34Å; V315-R319 PolarHBondContact O-N 3.46Å; Q316-R319 WeakPolarHBondContact O-CB 3.27Å; Q316-R319 PolarHBondContact O-N 3.09Å; Q316-R319 VanDerWaalsContact O-N 3.09Å; Q317-R319 VanDerWaalsContact C-N 3.35Å; Q317-R319 PolarHBondContact O-N 3.49Å; R319-K321 PolarHBondContact O-N 3.35Å; R319-A322 WeakPolarHBondContact O-CB 3.2Å; R319-A322 PolarHBondContact O-N 2.85Å; R319-A322 VanDerWaalsContact O-N 3.13Å; R319-I323 WeakPolarHBondContact O-CG1 3.37Å; R319-I323 PolarHBondContact O-N 2.66Å |
| 320 | M | 89.5 | Confident | 88.1 | Confident | 109 Ų | 109 | 95.4 Ų | 95.4 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 176.8 | -65.9 | -57.3 | 154.6 | 0 | 0 | 111.1 | Q316 Q317 A322 I323 E324 | Q316-M320 WeakPolarHBondContact O-CG 3.33Å; Q316-M320 PolarHBondContact O-N 3.31Å; Q317-M320 PolarHBondContact O-N 3.46Å; M320-A322 VanDerWaalsContact C-N 3.27Å; M320-A322 PolarHBondContact O-N 2.76Å; M320-I323 PolarHBondContact O-N 3.34Å; M320-I323 VanDerWaalsContact O-N 3.14Å; M320-I323 HydrophobicContact SD-CD1 4.28Å; M320-E324 WeakPolarHBondContact O-CG 2.93Å; M320-E324 PolarHBondContact O-N 3.34Å |
| 321 | K | 88.4 | Confident | 88.3 | Confident | 154 Ų | 154 | 94.4 Ų | 94.4 | 67% | 0.67 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.1 | -33.9 | 174.6 | -170.4 | 169 | -175.8 | 167.3 | 0 | 113.1 | Q317 R319 A325 | Q317-K321 WeakPolarHBondContact O-CB 3.2Å; Q317-K321 PolarHBondContact O-N 3.48Å; R319-K321 PolarHBondContact O-N 3.35Å; K321-A325 VanDerWaalsContact O-CB 3.31Å; K321-A325 WeakPolarHBondContact O-CB 3.4Å; K321-A325 PolarHBondContact O-N 2.79Å |
| 322 | A | 86.9 | Confident | 88.7 | Confident | 62 Ų | 62 | 93.8 Ų | 93.8 | 51% | 0.512 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72.1 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K318 R319 M320 A325 E326 | K318-A322 WeakPolarHBondContact O-CB 3.38Å; K318-A322 PolarHBondContact O-N 3.37Å; R319-A322 WeakPolarHBondContact O-CB 3.2Å; R319-A322 PolarHBondContact O-N 2.85Å; R319-A322 VanDerWaalsContact O-N 3.13Å; M320-A322 VanDerWaalsContact C-N 3.27Å; M320-A322 PolarHBondContact O-N 2.76Å; A322-A325 PolarHBondContact O-N 3.07Å; A322-E326 PolarHBondContact O-N 2.8Å; A322-E326 VanDerWaalsContact O-N 3.1Å |
| 323 | I | 89.5 | Confident | 89.1 | Confident | 83 Ų | 83 | 96.2 Ų | 96.2 | 43% | 0.426 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67 | -45.1 | 174.2 | -67.4 | 163.6 | 0 | 0 | 0 | 110.1 | R319 M320 A325 E326 H327 | R319-I323 WeakPolarHBondContact O-CG1 3.37Å; R319-I323 PolarHBondContact O-N 2.66Å; M320-I323 PolarHBondContact O-N 3.34Å; M320-I323 VanDerWaalsContact O-N 3.14Å; M320-I323 HydrophobicContact SD-CD1 4.28Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 3.22Å; I323-E326 WeakPolarHBondContact O-CB 3.15Å; I323-E326 PolarHBondContact O-N 3.25Å; I323-H327 PolarHBondContact O-CD2 2.95Å; I323-H327 VanDerWaalsContact O-CD2 3.28Å; I323-H327 PolarHBondContact O-N 3.46Å |
| 324 | E | 87.6 | Confident | 89.4 | Confident | 124 Ų | 124 | 92.3 Ų | 92.3 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.8 | -45 | 173.7 | -72.3 | 171.5 | 178.8 | 0 | 0 | 111 | M320 E326 H327 H328 | M320-E324 WeakPolarHBondContact O-CG 2.93Å; M320-E324 PolarHBondContact O-N 3.34Å; E324-E326 PolarHBondContact O-N 2.86Å; E324-H327 PolarHBondContact O-N 2.57Å; E324-H327 VanDerWaalsContact O-N 3.13Å; E324-H328 PolarHBondContact O-CD2 2.96Å |
| 325 | A | 82.6 | Confident | 89.4 | Confident | 58 Ų | 58 | 94.1 Ų | 94.1 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -29 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K321 A322 I323 H327 H328 | K321-A325 VanDerWaalsContact O-CB 3.31Å; K321-A325 WeakPolarHBondContact O-CB 3.4Å; K321-A325 PolarHBondContact O-N 2.79Å; A322-A325 PolarHBondContact O-N 3.07Å; I323-A325 VanDerWaalsContact C-N 3.3Å; I323-A325 PolarHBondContact O-N 3.22Å; A325-H327 VanDerWaalsContact C-N 3.33Å; A325-H328 PolarHBondContact O-N 2.77Å |
| 326 | E | 83.2 | Confident | 89.2 | Confident | 119 Ų | 119 | 97.2 Ų | 97.2 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72.2 | -24.7 | 178.1 | 173.7 | 153.3 | -122.2 | 0 | 0 | 113.5 | A322 I323 E324 H328 K330 | A322-E326 PolarHBondContact O-N 2.8Å; A322-E326 VanDerWaalsContact O-N 3.1Å; I323-E326 WeakPolarHBondContact O-CB 3.15Å; I323-E326 PolarHBondContact O-N 3.25Å; E324-E326 PolarHBondContact O-N 2.86Å; E326-H328 PolarHBondContact O-N 2.83Å; E326-K330 IonicContact OE1-NZ 2.84Å; E326-K330 PolarHBondContact OE1-NZ 3.12Å |
| 327 | H | 82.3 | Confident | 88.8 | Confident | 163 Ų | 163 | 97.1 Ų | 97.1 | 76% | 0.755 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -13.8 | 173.8 | -73.4 | -78.4 | 0 | 0 | 0 | 113.4 | I323 E324 A325 | I323-H327 PolarHBondContact O-CD2 2.95Å; I323-H327 VanDerWaalsContact O-CD2 3.28Å; I323-H327 PolarHBondContact O-N 3.46Å; E324-H327 PolarHBondContact O-N 2.57Å; E324-H327 VanDerWaalsContact O-N 3.13Å; A325-H327 VanDerWaalsContact C-N 3.33Å |
| 328 | H | 84.6 | Confident | 88.5 | Confident | 93 Ų | 93 | 101.1 Ų | 101.1 | 43% | 0.431 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -78.4 | 153.4 | 175.4 | -65.2 | -92.3 | 0 | 0 | 0 | 111.9 | E324 A325 E326 K330 | E324-H328 PolarHBondContact O-CD2 2.96Å; A325-H328 PolarHBondContact O-N 2.77Å; E326-H328 PolarHBondContact O-N 2.83Å; H328-K330 PolarHBondContact O-N 3.48Å; H328-K330 VanDerWaalsContact O-N 3.16Å |
| 329 | L | 90.7 | Very high | 88.2 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 33% | 0.33 | 50% | 0.495 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 119.5 | 175.2 | -77.1 | 163.8 | 0 | 0 | 0 | 109.8 | V9 L31 K33 V39 | V9-L329 WeakPolarHBondContact CG2-O 3.42Å; L31-L329 HydrophobicContact CB-CB 3.69Å; K33-L329 HydrophobicContact CB-CD1 3.81Å; V39-L329 HydrophobicContact CG1-CD1 4.22Å; V39-L329 HydrophobicContact CG2-CD1 4.32Å |
| 330 | K | 91.9 | Very high | 87.8 | Confident | 116 Ų | 116 | 99.6 Ų | 99.6 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | trans | -86 | -24.7 | 177.2 | -62.1 | -178.5 | -175.2 | 173.1 | 0 | 112.9 | R8 V9 E326 H328 | R8-K330 WeakPolarHBondContact CA-O 3.47Å; V9-K330 PolarHBondContact N-O 3.19Å; E326-K330 IonicContact OE1-NZ 2.84Å; E326-K330 PolarHBondContact OE1-NZ 3.12Å; H328-K330 PolarHBondContact O-N 3.48Å; H328-K330 VanDerWaalsContact O-N 3.16Å | ||
| 331 | Q | 93.8 | Very high | 87.6 | Confident | 94 Ų | 94 | 96.1 Ų | 96.1 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 155.2 | -176.3 | 67.3 | -178.4 | 2.7 | 0 | 0 | 112.9 | M6 Y7 R8 | M6-Q331 HydrophobicContact CE-CB 3.85Å; M6-Q331 HydrophobicContact CE-CG 3.73Å; Y7-Q331 CarbonylContact O-C 3.39Å; Y7-Q331 WeakPolarHBondContact O-CA 3.38Å; Y7-Q331 WeakPolarHBondContact O-CB 3.47Å; R8-Q331 HydrophobicContact CG-CB 3.96Å |
| 332 | V | 94.4 | Very high | 87.5 | Confident | 19 Ų | 19 | 94.1 Ų | 94.1 | 12% | 0.115 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.4 | 176.5 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | Y7 L31 V39 I334 | Y7-V332 PolarHBondContact N-O 2.75Å; Y7-V332 PolarHBondContact O-N 3.28Å; L31-V332 HydrophobicContact CD1-CB 4.19Å; L31-V332 HydrophobicContact CD1-CG1 3.94Å; L31-V332 HydrophobicContact CD2-CG1 4.04Å; V39-V332 HydrophobicContact CB-CG2 4.2Å; V39-V332 HydrophobicContact CG1-CB 4.39Å; V39-V332 HydrophobicContact CG1-CG2 4.1Å; V39-V332 HydrophobicContact CG2-CG2 4.17Å; V332-I334 HydrophobicContact CG1-CD1 4.09Å; V332-I334 HydrophobicContact CG1-CG1 4.24Å; V332-I334 HydrophobicContact CG2-CG1 4.25Å |
| 333 | Y | 94.7 | Very high | 87.6 | Confident | 126 Ų | 126 | 91.9 Ų | 91.9 | 49% | 0.494 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.5 | 170.8 | -179.8 | -100.6 | 0 | 0 | 0 | 109.8 | N5 M6 P335 | N5-Y333 HydrophobicContact CB-CD2 3.99Å; N5-Y333 HydrophobicContact CB-CE2 3.46Å; N5-Y333 VanDerWaalsContact CB-CE2 3.46Å; N5-Y333 WeakPolarHBondContact O-CA 3.28Å; M6-Y333 HydrophobicContact CG-CD2 4.2Å; M6-Y333 VanDerWaalsContact SD-CB 3.58Å; M6-Y333 HydrophobicContact SD-CD2 3.67Å; M6-Y333 HydrophobicContact SD-CG 4.11Å; Y333-P335 HydrophobicContact CD1-CG 4.39Å; Y333-P335 HydrophobicContact CE1-CG 4.02Å |
| 334 | I | 92.9 | Very high | 87.6 | Confident | 12 Ų | 12 | 88.9 Ų | 88.9 | 6% | 0.062 | 46% | 0.455 | C | S | . | . | trans | -123.6 | 114.5 | -179.9 | -58 | 169.1 | 0 | 0 | 0 | 108.7 | N5 Y7 A98 I101 V332 | N5-I334 VanDerWaalsContact CB-O 3.31Å; N5-I334 WeakPolarHBondContact CB-O 2.99Å; N5-I334 PolarHBondContact O-N 2.73Å; Y7-I334 HydrophobicContact CD2-CB 4.07Å; Y7-I334 HydrophobicContact CD2-CD1 3.64Å; Y7-I334 HydrophobicContact CD2-CG1 4Å; Y7-I334 HydrophobicContact CE2-CB 3.91Å; Y7-I334 HydrophobicContact CE2-CD1 4.05Å; Y7-I334 HydrophobicContact CE2-CG1 4.33Å; Y7-I334 HydrophobicContact CG-CD1 4.32Å; A98-I334 HydrophobicContact CB-CD1 4.2Å; A98-I334 WeakPolarHBondContact O-CD1 3.43Å; I101-I334 HydrophobicContact CB-CD1 3.74Å; I101-I334 HydrophobicContact CD1-CD1 3.62Å; I101-I334 HydrophobicContact CG1-CD1 4.15Å; I101-I334 HydrophobicContact CG2-CD1 4.34Å; V332-I334 HydrophobicContact CG1-CD1 4.09Å; V332-I334 HydrophobicContact CG1-CG1 4.24Å; V332-I334 HydrophobicContact CG2-CG1 4.25Å | ||
| 335 | P | 91 | Very high | 87.5 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 57% | 0.571 | 45% | 0.447 | S | S | * | . | trans | -60.6 | 155.5 | 176.7 | -21.8 | 32.2 | 0 | 0 | 0 | 113.1 | Y333 Y337 | Y333-P335 HydrophobicContact CD1-CG 4.39Å; Y333-P335 HydrophobicContact CE1-CG 4.02Å; P335-Y337 PolarHBondContact O-N 3.05Å | ||
| 336 | N | 87.2 | Confident | 87.4 | Confident | 107 Ų | 107 | 91.4 Ų | 91.4 | 57% | 0.572 | 45% | 0.454 | S | S | * | . | trans | -58 | 134.6 | 175.3 | -69.6 | -16 | 0 | 0 | 0 | 111.2 | N5 N338 | N5-N336 PolarHBondContact ND2-OD1 3.06Å; N5-N336 PolarHBondContact OD1-OD1 3.28Å; N336-N338 PolarHBondContact O-N 2.68Å | ||
| 337 | Y | 83.6 | Confident | 86.8 | Confident | 109 Ų | 109 | 91.5 Ų | 91.5 | 43% | 0.427 | 46% | 0.464 | S | S | . | . | trans | -82.2 | 110.1 | 176.8 | -172.7 | -90.2 | 0 | 0 | 0 | 110.8 | R102 P335 K339 | R102-Y337 VanDerWaalsContact CZ-CB 3.47Å; R102-Y337 VanDerWaalsContact NH1-CB 3.29Å; R102-Y337 VanDerWaalsContact NH2-CZ 3.35Å; P335-Y337 PolarHBondContact O-N 3.05Å; Y337-K339 HydrophobicContact CD1-CB 4.24Å; Y337-K339 HydrophobicContact CE1-CB 3.55Å; Y337-K339 HydrophobicContact CE1-CG 4.11Å; Y337-K339 HydrophobicContact CE2-CB 4.35Å; Y337-K339 HydrophobicContact CE2-CD 3.95Å; Y337-K339 HydrophobicContact CE2-CG 4.02Å | ||
| 338 | N | 82.7 | Confident | 85.6 | Confident | 146 Ų | 146 | 89.3 Ų | 89.3 | 78% | 0.781 | 46% | 0.462 | S | S | * | . | trans | -111.2 | 18.4 | -176.1 | -65.3 | -19.8 | 0 | 0 | 0 | 113.4 | N336 | N336-N338 PolarHBondContact O-N 2.68Š| ||
| 339 | K | 84 | Confident | 83.9 | Confident | 142 Ų | 142 | 92 Ų | 92 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -73 | 142.3 | 177.4 | -59.3 | -168.8 | -179.3 | -179.4 | 0 | 110.1 | Y337 N341 | Y337-K339 HydrophobicContact CD1-CB 4.24Å; Y337-K339 HydrophobicContact CE1-CB 3.55Å; Y337-K339 HydrophobicContact CE1-CG 4.11Å; Y337-K339 HydrophobicContact CE2-CB 4.35Å; Y337-K339 HydrophobicContact CE2-CD 3.95Å; Y337-K339 HydrophobicContact CE2-CG 4.02Å; K339-N341 PolarHBondContact O-N 3.1Å |
| 340 | P | 82.8 | Confident | 81.8 | Confident | 105 Ų | 105 | 92.5 Ų | 92.5 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 130.4 | 178.1 | 22.6 | -32.1 | 0 | 0 | 0 | 110.4 | ||
| 341 | N | 84.7 | Confident | 79.5 | Confident | 35 Ų | 35 | 95.5 Ų | 95.5 | 19% | 0.187 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 122.1 | 178.5 | 176.3 | -5.3 | 0 | 0 | 0 | 109 | K339 A343 V344 W387 | K339-N341 PolarHBondContact O-N 3.1Å; N341-A343 PolarHBondContact O-N 3.37Å; N341-A343 VanDerWaalsContact O-N 3.11Å; N341-A343 WeakPolarHBondContact OD1-CB 3.44Å; N341-A343 PolarHBondContact OD1-N 3.27Å; N341-V344 HydrophobicContact CB-CG2 3.94Å; N341-V344 WeakPolarHBondContact O-CB 3.31Å; N341-V344 VanDerWaalsContact O-CG2 3.31Å; N341-V344 WeakPolarHBondContact O-CG2 3.26Å; N341-V344 PolarHBondContact O-N 2.84Å; N341-V344 VanDerWaalsContact O-N 3.11Å; N341-W387 WeakPolarHBondContact ND2-CZ2 3.47Å |
| 342 | P | 86.9 | Confident | 77 | Confident | 113 Ų | 113 | 95.8 Ų | 95.8 | 73% | 0.734 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.6 | -178.3 | 26.6 | -36.3 | 0 | 0 | 0 | 114.2 | A19 V344 | A19-P342 HydrophobicContact CB-CG 3.96Å; P342-V344 VanDerWaalsContact C-N 3.31Å |
| 343 | A | 88 | Confident | 74.8 | Confident | 15 Ų | 15 | 98.8 Ų | 98.8 | 12% | 0.124 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -5.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N341 L345 Y371 A372 W387 | N341-A343 PolarHBondContact O-N 3.37Å; N341-A343 VanDerWaalsContact O-N 3.11Å; N341-A343 WeakPolarHBondContact OD1-CB 3.44Å; N341-A343 PolarHBondContact OD1-N 3.27Å; A343-L345 PolarHBondContact O-N 3.19Å; A343-Y371 HydrophobicContact CB-CD1 4.3Å; A343-Y371 CarbonylContact O-C 3.53Å; A343-Y371 VanDerWaalsContact O-CA 3.29Å; A343-Y371 WeakPolarHBondContact O-CA 3.5Å; A343-A372 PolarHBondContact O-N 3.23Å; A343-W387 HydrophobicContact CB-CH2 3.48Å; A343-W387 VanDerWaalsContact CB-CH2 3.48Å; A343-W387 HydrophobicContact CB-CZ2 4.09Å; A343-W387 HydrophobicContact CB-CZ3 3.97Å |
| 344 | V | 89.5 | Confident | 72.6 | Confident | 20 Ų | 20 | 97.9 Ų | 97.9 | 12% | 0.121 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.6 | 179.2 | 176.9 | 0 | 0 | 0 | 0 | 110 | N341 P342 Y346 M369 Y371 | N341-V344 HydrophobicContact CB-CG2 3.94Å; N341-V344 WeakPolarHBondContact O-CB 3.31Å; N341-V344 VanDerWaalsContact O-CG2 3.31Å; N341-V344 WeakPolarHBondContact O-CG2 3.26Å; N341-V344 PolarHBondContact O-N 2.84Å; N341-V344 VanDerWaalsContact O-N 3.11Å; P342-V344 VanDerWaalsContact C-N 3.31Å; V344-Y346 HydrophobicContact CB-CE2 4.22Å; V344-Y346 HydrophobicContact CG1-CD1 4.42Å; V344-Y346 HydrophobicContact CG1-CD2 4.36Å; V344-Y346 HydrophobicContact CG1-CE1 4.1Å; V344-Y346 HydrophobicContact CG1-CE2 4.03Å; V344-M369 HydrophobicContact CG1-SD 4.31Å; V344-Y371 HydrophobicContact CB-CE1 4.43Å; V344-Y371 HydrophobicContact CG2-CD1 3.95Å; V344-Y371 HydrophobicContact CG2-CE1 3.36Å |
| 345 | L | 85.4 | Confident | 70.5 | Confident | 76 Ų | 76 | 102 Ų | 102 | 40% | 0.398 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 104.1 | 172.9 | -63.3 | 175.4 | 0 | 0 | 0 | 109 | A343 W370 A372 K381 | A343-L345 PolarHBondContact O-N 3.19Å; L345-W370 HydrophobicContact CB-CB 4.09Å; L345-W370 HydrophobicContact CD1-CB 4.36Å; L345-W370 PolarHBondContact N-O 3.3Å; L345-A372 HydrophobicContact CD1-CB 4.39Å; L345-A372 HydrophobicContact CD2-CB 4.03Å; L345-A372 HydrophobicContact CG-CB 4.22Å; L345-K381 HydrophobicContact CD1-CG 4.32Å |
| 346 | Y | 81.3 | Confident | 68.9 | Low | 159 Ų | 159 | 102 Ų | 102 | 62% | 0.624 | 61% | 0.612 | S | S | * | * | trans | -76.6 | 134.7 | 171.4 | -65.4 | -79.1 | 0 | 0 | 0 | 109.7 | V344 V348 | V344-Y346 HydrophobicContact CB-CE2 4.22Å; V344-Y346 HydrophobicContact CG1-CD1 4.42Å; V344-Y346 HydrophobicContact CG1-CD2 4.36Å; V344-Y346 HydrophobicContact CG1-CE1 4.1Å; V344-Y346 HydrophobicContact CG1-CE2 4.03Å; Y346-V348 PolarHBondContact O-N 3.34Å | ||
| 347 | P | 69.6 | Low | 68.3 | Low | 120 Ų | 120 | 99.6 Ų | 99.6 | 78% | 0.779 | 60% | 0.604 | S | S | * | * | trans | -58.4 | 111.6 | 171.7 | -18.1 | 29.3 | 0 | 0 | 0 | 109 | T349 | P347-T349 PolarHBondContact O-N 3.24Š| ||
| 348 | V | 57.1 | Low | 68.4 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 72% | 0.715 | 59% | 0.593 | S | S | * | * | trans | -71.1 | 122.2 | 168.4 | -165 | 0 | 0 | 0 | 0 | 105.5 | Y346 S350 | Y346-V348 PolarHBondContact O-N 3.34Å; V348-S350 WeakPolarHBondContact CG1-OG 3.4Å; V348-S350 PolarHBondContact O-N 2.74Å | ||
| 349 | T | 49 | Very low | 68.9 | Low | 149 Ų | 149 | 89 Ų | 89 | 91% | 0.914 | 56% | 0.56 | S | S | * | * | trans | -65.8 | 80.3 | 170.5 | 49.6 | 0 | 0 | 0 | 0 | 108.4 | P347 | P347-T349 PolarHBondContact O-N 3.24Š| ||
| 350 | S | 47 | Very low | 69.1 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 51% | 0.51 | 55% | 0.547 | S | S | . | . | trans | -150.1 | 118.1 | 173.2 | 40 | 0 | 0 | 0 | 0 | 109.7 | V348 S352 | V348-S350 WeakPolarHBondContact CG1-OG 3.4Å; V348-S350 PolarHBondContact O-N 2.74Å; S350-S352 PolarHBondContact O-N 3.17Å | ||
| 351 | D | 43.5 | Very low | 69.3 | Low | 180 Ų | 180 | 81.1 Ų | 81.1 | 96% | 0.963 | 52% | 0.518 | S | S | * | . | trans | -63.2 | 55.9 | -177.3 | -67.8 | -41.8 | 0 | 0 | 0 | 114.3 | ||||
| 352 | S | 42.9 | Very low | 69.6 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 69% | 0.692 | 52% | 0.519 | S | S | * | . | trans | -107.2 | 106.9 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | S350 S354 | S350-S352 PolarHBondContact O-N 3.17Å; S352-S354 PolarHBondContact O-N 3.49Å | ||
| 353 | G | 47.7 | Very low | 69.7 | Low | 83 Ų | 83 | 81.9 Ų | 81.9 | 86% | 0.856 | 53% | 0.525 | S | S | * | . | trans | -63.7 | 50.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | S355 | G353-S355 PolarHBondContact O-N 3.48Š| ||
| 354 | S | 48.2 | Very low | 69.7 | Low | 106 Ų | 106 | 84.8 Ų | 84.8 | 74% | 0.741 | 54% | 0.539 | S | S | * | . | trans | -73.9 | 85.6 | 164.7 | 168.7 | 0 | 0 | 0 | 0 | 108.5 | S352 | S352-S354 PolarHBondContact O-N 3.49Š| ||
| 355 | S | 48.7 | Very low | 69.8 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 69% | 0.692 | 56% | 0.558 | S | S | * | * | trans | 20.8 | 122.4 | 147.7 | -53.2 | 0 | 0 | 0 | 0 | 116.7 | G353 S357 | G353-S355 PolarHBondContact O-N 3.48Å; S355-S357 PolarHBondContact O-N 2.8Å | ||
| 356 | A | 56.7 | Low | 69.9 | Low | 87 Ų | 87 | 90.8 Ų | 90.8 | 72% | 0.719 | 57% | 0.574 | S | S | * | * | trans | -40.9 | 70.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G358 L365 | A356-G358 PolarHBondContact O-N 2.98Å; A356-L365 HydrophobicContact CB-CD1 4.19Å | ||
| 357 | S | 75.1 | Confident | 70.4 | Confident | 57 Ų | 57 | 84.8 Ų | 84.8 | 40% | 0.399 | 56% | 0.555 | S | S | . | * | trans | -76.3 | 105.1 | 166.9 | 60.9 | 0 | 0 | 0 | 0 | 107.2 | S355 K381 | S355-S357 PolarHBondContact O-N 2.8Å; S357-K381 PolarHBondContact O-NZ 3.44Å; S357-K381 PolarHBondContact OG-NZ 2.65Å | ||
| 358 | G | 85.7 | Confident | 71.3 | Confident | 20 Ų | 20 | 85.1 Ų | 85.1 | 21% | 0.206 | 56% | 0.555 | C | S | . | * | trans | -65.8 | -173 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A356 E360 | A356-G358 PolarHBondContact O-N 2.98Å; G358-E360 PolarHBondContact O-N 2.97Å | ||
| 359 | C | 92.3 | Very high | 72.9 | Confident | 12 Ų | 12 | 83.4 Ų | 83.4 | 8% | 0.081 | 54% | 0.541 | C | S | . | . | trans | -61.9 | 129.8 | 170.6 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | G361 C362 N364 W370 C383 | C359-G361 PolarHBondContact O-N 3.46Å; C359-G361 PolarHBondContact SG-N 2.87Å; C359-C362 CarbonylContact C-O 3.36Å; C359-C362 WeakPolarHBondContact CB-O 3.31Å; C359-N364 VanDerWaalsContact CB-O 3.32Å; C359-N364 WeakPolarHBondContact CB-O 3.24Å; C359-N364 PolarHBondContact N-O 2.84Å; C359-W370 HydrophobicContact CB-CH2 4.38Å; C359-W370 HydrophobicContact CB-CZ3 4Å; C359-C383 HydrophobicContact CB-CB 4Å; C359-C383 PolarHBondContact SG-N 3.12Å | ||
| 360 | E | 89.8 | Confident | 75 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 36% | 0.36 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -75.5 | -16.1 | 175.2 | -70.9 | -175.6 | -120.3 | 0 | 0 | 112.1 | G358 L380 K381 L401 | G358-E360 PolarHBondContact O-N 2.97Å; E360-L380 WeakPolarHBondContact OE1-CA 3.39Å; E360-L380 WeakPolarHBondContact OE2-CD2 3.22Å; E360-K381 PolarHBondContact N-O 3.26Å; E360-K381 PolarHBondContact OE1-N 3.21Å; E360-L401 HydrophobicContact CB-CD1 3.71Å; E360-L401 HydrophobicContact CG-CD1 4.46Å; E360-L401 WeakPolarHBondContact O-CD1 3.37Å |
| 361 | G | 86.6 | Confident | 77.1 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 6% | 0.062 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -95.4 | -12.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C359 C386 | C359-G361 PolarHBondContact O-N 3.46Å; C359-G361 PolarHBondContact SG-N 2.87Å; G361-C386 VanDerWaalsContact C-SG 3.55Å |
| 362 | C | 90.7 | Very high | 79.4 | Confident | 30 Ų | 30 | 68.2 Ų | 68.2 | 20% | 0.203 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -159.5 | 162 | -179.7 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | C359 N364 | C359-C362 CarbonylContact C-O 3.36Å; C359-C362 WeakPolarHBondContact CB-O 3.31Å; C362-N364 PolarHBondContact O-N 3.01Å; C362-N364 VanDerWaalsContact SG-CB 3.59Å |
| 363 | P | 88.6 | Confident | 81.6 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 86% | 0.864 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -70.1 | 6.3 | -177.4 | 29.5 | -36.2 | 0 | 0 | 0 | 114.7 | L365 | P363-L365 PolarHBondContact O-N 3.36Š|
| 364 | N | 89.2 | Confident | 83.4 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 41% | 0.412 | 40% | 0.401 | S | S | . | . | trans | -73 | 124.8 | -179.2 | -68.9 | -9.7 | 0 | 0 | 0 | 111.2 | C359 C362 | C359-N364 VanDerWaalsContact CB-O 3.32Å; C359-N364 WeakPolarHBondContact CB-O 3.24Å; C359-N364 PolarHBondContact N-O 2.84Å; C362-N364 PolarHBondContact O-N 3.01Å; C362-N364 VanDerWaalsContact SG-CB 3.59Å | ||
| 365 | L | 89.7 | Confident | 85.1 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | trans | -89.9 | -15.9 | 178.1 | -163.5 | 57.3 | 0 | 0 | 0 | 113.3 | A356 P363 | A356-L365 HydrophobicContact CB-CD1 4.19Å; P363-L365 PolarHBondContact O-N 3.36Å | ||
| 366 | T | 89.3 | Confident | 86.5 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 74% | 0.736 | 39% | 0.391 | S | S | * | . | trans | -126.5 | 146.4 | -178.3 | 59.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 367 | S | 90.2 | Very high | 87.6 | Confident | 32 Ų | 32 | 64.3 Ų | 64.3 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | trans | -153.3 | 152.4 | 174.9 | -163.2 | 0 | 0 | 0 | 0 | 110.1 | M369 C383 V384 | S367-M369 VanDerWaalsContact C-N 3.29Å; S367-M369 WeakPolarHBondContact CB-O 3.46Å; S367-M369 PolarHBondContact OG-O 3.2Å; S367-M369 VanDerWaalsContact OG-O 3.07Å; S367-C383 WeakPolarHBondContact OG-CB 3.4Å; S367-V384 PolarHBondContact OG-N 3.24Å; S367-V384 VanDerWaalsContact OG-N 3.08Å | ||
| 368 | T | 90.3 | Very high | 88 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 78% | 0.779 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -67.3 | -32.2 | 176.1 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 369 | M | 89.8 | Confident | 88 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -143.2 | 147.2 | 173.8 | -73.9 | -157.1 | -70.4 | 0 | 0 | 110.1 | V344 S367 Y371 V384 | V344-M369 HydrophobicContact CG1-SD 4.31Å; S367-M369 VanDerWaalsContact C-N 3.29Å; S367-M369 WeakPolarHBondContact CB-O 3.46Å; S367-M369 PolarHBondContact OG-O 3.2Å; S367-M369 VanDerWaalsContact OG-O 3.07Å; M369-Y371 HydrophobicContact CB-CE2 4.04Å; M369-Y371 VanDerWaalsContact CE-OH 3.22Å; M369-Y371 WeakPolarHBondContact CE-OH 3.43Å; M369-V384 PolarHBondContact O-N 3.17Å |
| 370 | W | 92.1 | Very high | 87.8 | Confident | 42 Ų | 42 | 66.4 Ų | 66.4 | 16% | 0.159 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143.5 | 178.2 | -67.2 | 98 | 0 | 0 | 0 | 110 | L345 C359 K381 C383 | L345-W370 HydrophobicContact CB-CB 4.09Å; L345-W370 HydrophobicContact CD1-CB 4.36Å; L345-W370 PolarHBondContact N-O 3.3Å; C359-W370 HydrophobicContact CB-CH2 4.38Å; C359-W370 HydrophobicContact CB-CZ3 4Å; W370-K381 VanDerWaalsContact CD2-CE 3.47Å; W370-K381 HydrophobicContact CD2-CG 4.37Å; W370-K381 HydrophobicContact CE3-CD 4.11Å; W370-K381 VanDerWaalsContact CE3-CE 3.42Å; W370-K381 HydrophobicContact CE3-CG 3.66Å; W370-K381 HydrophobicContact CZ3-CD 4.39Å; W370-K381 HydrophobicContact CZ3-CG 4.12Å; W370-C383 HydrophobicContact CZ3-CB 4.2Å |
| 371 | Y | 92.4 | Very high | 87.9 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146 | 179.5 | -65 | -93.9 | 0 | 0 | 0 | 111.3 | A343 V344 M369 V382 V384 W387 | A343-Y371 HydrophobicContact CB-CD1 4.3Å; A343-Y371 CarbonylContact O-C 3.53Å; A343-Y371 VanDerWaalsContact O-CA 3.29Å; A343-Y371 WeakPolarHBondContact O-CA 3.5Å; V344-Y371 HydrophobicContact CB-CE1 4.43Å; V344-Y371 HydrophobicContact CG2-CD1 3.95Å; V344-Y371 HydrophobicContact CG2-CE1 3.36Å; M369-Y371 HydrophobicContact CB-CE2 4.04Å; M369-Y371 VanDerWaalsContact CE-OH 3.22Å; M369-Y371 WeakPolarHBondContact CE-OH 3.43Å; Y371-V382 PolarHBondContact N-O 3.42Å; Y371-V382 PolarHBondContact O-N 3.04Å; Y371-V384 HydrophobicContact CE2-CB 4.26Å; Y371-V384 HydrophobicContact CE2-CG2 4.14Å; Y371-W387 AromaticContact CD1-CD2 3.56Å; Y371-W387 HydrophobicContact CD1-CD2 3.56Å; Y371-W387 AromaticContact CD1-CE2 3.62Å; Y371-W387 AromaticContact CD1-CE3 3.99Å; Y371-W387 HydrophobicContact CD1-CE3 3.99Å; Y371-W387 AromaticContact CD1-CG 3.84Å; Y371-W387 HydrophobicContact CD1-CG 3.84Å; Y371-W387 HydrophobicContact CD1-CH2 4.48Å; Y371-W387 HydrophobicContact CD1-CZ2 4.13Å; Y371-W387 HydrophobicContact CD1-CZ3 4.41Å; Y371-W387 AromaticContact CD1-NE1 3.88Å; Y371-W387 HydrophobicContact CD2-CB 3.55Å; Y371-W387 AromaticContact CD2-CD1 4Å; Y371-W387 HydrophobicContact CD2-CD2 4.05Å; Y371-W387 AromaticContact CD2-CG 3.56Å; Y371-W387 HydrophobicContact CD2-CG 3.56Å; Y371-W387 AromaticContact CE1-CD1 3.88Å; Y371-W387 HydrophobicContact CE1-CD2 4.17Å; Y371-W387 AromaticContact CE1-CE2 3.93Å; Y371-W387 HydrophobicContact CE1-CG 4.16Å; Y371-W387 AromaticContact CE1-NE1 3.72Å; Y371-W387 HydrophobicContact CE2-CB 4.07Å; Y371-W387 AromaticContact CE2-CD1 3.87Å; Y371-W387 AromaticContact CE2-CG 3.91Å; Y371-W387 HydrophobicContact CE2-CG 3.91Å; Y371-W387 HydrophobicContact CG-CB 3.89Å; Y371-W387 AromaticContact CG-CD2 3.48Å; Y371-W387 HydrophobicContact CG-CD2 3.48Å; Y371-W387 VanDerWaalsContact CG-CD2 3.48Å; Y371-W387 AromaticContact CG-CE3 3.75Å; Y371-W387 HydrophobicContact CG-CE3 3.75Å; Y371-W387 AromaticContact CG-CG 3.52Å; Y371-W387 HydrophobicContact CG-CG 3.52Å; Y371-W387 HydrophobicContact CG-CZ3 4.49Å; Y371-W387 AromaticContact CZ-CD1 3.81Å |
| 372 | A | 91.7 | Very high | 88.2 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A343 L345 P379 | A343-A372 PolarHBondContact O-N 3.23Å; L345-A372 HydrophobicContact CD1-CB 4.39Å; L345-A372 HydrophobicContact CD2-CB 4.03Å; L345-A372 HydrophobicContact CG-CB 4.22Å; A372-P379 HydrophobicContact CB-CB 3.7Å; A372-P379 HydrophobicContact CB-CG 4.15Å |
| 373 | L | 89.7 | Confident | 88.4 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.3 | -179.9 | 175.1 | 60.9 | 0 | 0 | 0 | 111.2 | L380 V382 W387 W390 L396 | L373-L380 HydrophobicContact CB-CB 4.42Å; L373-L380 PolarHBondContact N-O 3.45Å; L373-L380 WeakPolarHBondContact O-CB 3.35Å; L373-L380 PolarHBondContact O-N 3.38Å; L373-V382 HydrophobicContact CB-CG1 4.38Å; L373-V382 HydrophobicContact CB-CG2 4.01Å; L373-V382 HydrophobicContact CD2-CG1 4.19Å; L373-V382 HydrophobicContact CD2-CG2 4.49Å; L373-W387 HydrophobicContact CD1-CZ3 4.41Å; L373-W390 HydrophobicContact CD1-CD2 3.44Å; L373-W390 VanDerWaalsContact CD1-CD2 3.44Å; L373-W390 HydrophobicContact CD1-CE3 3.77Å; L373-W390 HydrophobicContact CD1-CG 4Å; L373-W390 HydrophobicContact CD1-CH2 3.74Å; L373-W390 HydrophobicContact CD1-CZ2 3.42Å; L373-W390 VanDerWaalsContact CD1-CZ2 3.42Å; L373-W390 HydrophobicContact CD1-CZ3 3.9Å; L373-W390 HydrophobicContact CD2-CB 4.43Å; L373-W390 HydrophobicContact CD2-CD2 4.24Å; L373-W390 HydrophobicContact CD2-CG 3.9Å; L373-L396 HydrophobicContact CD2-CD1 4.25Å; L373-L396 HydrophobicContact CD2-CD2 4.36Å; L373-L396 HydrophobicContact CD2-CG 4.38Å |
| 374 | G | 85.3 | Confident | 88.6 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 112.5 | -162.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 375 | P | 82.6 | Confident | 88.9 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | trans | -61.5 | 149.4 | -177.9 | -21.4 | 33.1 | 0 | 0 | 0 | 112.6 | H377 S378 P379 | P375-H377 WeakPolarHBondContact CB-CE1 3.11Å; P375-H377 WeakPolarHBondContact CB-ND1 3.34Å; P375-H377 PolarHBondContact O-N 3.25Å; P375-H377 VanDerWaalsContact O-N 3.16Å; P375-S378 CarbonylContact O-C 3.55Å; P375-S378 PolarHBondContact O-N 2.84Å; P375-P379 WeakPolarHBondContact O-CD 3.21Å; P375-P379 VanDerWaalsContact O-N 3.16Å | ||
| 376 | S | 78.4 | Confident | 89.1 | Confident | 124 Ų | 124 | 55.4 Ų | 55.4 | 87% | 0.867 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.2 | 180 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 377 | H | 80.3 | Confident | 89.3 | Confident | 155 Ų | 155 | 50 Ų | 50 | 72% | 0.718 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -22.5 | -179.7 | 61.5 | -96.5 | 0 | 0 | 0 | 113.5 | P375 | P375-H377 WeakPolarHBondContact CB-CE1 3.11Å; P375-H377 WeakPolarHBondContact CB-ND1 3.34Å; P375-H377 PolarHBondContact O-N 3.25Å; P375-H377 VanDerWaalsContact O-N 3.16Å |
| 378 | S | 83.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 39% | 0.392 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -157.9 | 71.1 | 178.3 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | P375 | P375-S378 CarbonylContact O-C 3.55Å; P375-S378 PolarHBondContact O-N 2.84Å |
| 379 | P | 85.3 | Confident | 89.7 | Confident | 60 Ų | 60 | 46 Ų | 46 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 135.2 | 178.5 | 30 | -32.7 | 0 | 0 | 0 | 110.6 | A372 P375 | A372-P379 HydrophobicContact CB-CB 3.7Å; A372-P379 HydrophobicContact CB-CG 4.15Å; P375-P379 WeakPolarHBondContact O-CD 3.21Å; P375-P379 VanDerWaalsContact O-N 3.16Å |
| 380 | L | 88.8 | Confident | 89.9 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 139 | 170.3 | -52.5 | 173 | 0 | 0 | 0 | 109.4 | E360 L373 L401 L402 | E360-L380 WeakPolarHBondContact OE1-CA 3.39Å; E360-L380 WeakPolarHBondContact OE2-CD2 3.22Å; L373-L380 HydrophobicContact CB-CB 4.42Å; L373-L380 PolarHBondContact N-O 3.45Å; L373-L380 WeakPolarHBondContact O-CB 3.35Å; L373-L380 PolarHBondContact O-N 3.38Å; L380-L401 HydrophobicContact CD1-CD2 4.02Å; L380-L401 HydrophobicContact CD2-CD2 3.53Å; L380-L401 HydrophobicContact CG-CD2 4.44Å; L380-L402 HydrophobicContact CD1-CD1 4.13Å |
| 381 | K | 91.2 | Very high | 90.1 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 117 | 174.9 | -178.8 | -174.3 | 171.7 | -165.5 | 0 | 110.2 | L345 S357 E360 W370 | L345-K381 HydrophobicContact CD1-CG 4.32Å; S357-K381 PolarHBondContact O-NZ 3.44Å; S357-K381 PolarHBondContact OG-NZ 2.65Å; E360-K381 PolarHBondContact N-O 3.26Å; E360-K381 PolarHBondContact OE1-N 3.21Å; W370-K381 VanDerWaalsContact CD2-CE 3.47Å; W370-K381 HydrophobicContact CD2-CG 4.37Å; W370-K381 HydrophobicContact CE3-CD 4.11Å; W370-K381 VanDerWaalsContact CE3-CE 3.42Å; W370-K381 HydrophobicContact CE3-CG 3.66Å; W370-K381 HydrophobicContact CZ3-CD 4.39Å; W370-K381 HydrophobicContact CZ3-CG 4.12Å |
| 382 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.1 | -179.3 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | Y371 L373 C386 W387 | Y371-V382 PolarHBondContact N-O 3.42Å; Y371-V382 PolarHBondContact O-N 3.04Å; L373-V382 HydrophobicContact CB-CG1 4.38Å; L373-V382 HydrophobicContact CB-CG2 4.01Å; L373-V382 HydrophobicContact CD2-CG1 4.19Å; L373-V382 HydrophobicContact CD2-CG2 4.49Å; V382-C386 HydrophobicContact CB-CB 3.99Å; V382-W387 HydrophobicContact CG2-CB 4.26Å; V382-W387 HydrophobicContact CG2-CE3 4.28Å |
| 383 | C | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 166.5 | 174.5 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | C359 S367 W370 D385 C386 W387 | C359-C383 HydrophobicContact CB-CB 4Å; C359-C383 PolarHBondContact SG-N 3.12Å; S367-C383 WeakPolarHBondContact OG-CB 3.4Å; W370-C383 HydrophobicContact CZ3-CB 4.2Å; C383-D385 VanDerWaalsContact C-N 3.26Å; C383-D385 PolarHBondContact O-N 2.91Å; C383-C386 PolarHBondContact O-N 2.8Å; C383-C386 PolarHBondContact SG-N 2.78Å; C383-C386 VanDerWaalsContact SG-N 3.4Å; C383-C386 VanDerWaalsContact SG-SG 3.67Å; C383-W387 WeakPolarHBondContact O-CB 3.48Å; C383-W387 PolarHBondContact O-N 3.22Å |
| 384 | V | 93.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 15% | 0.152 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55 | -37.1 | 177.9 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | S367 M369 Y371 W387 N388 | S367-V384 PolarHBondContact OG-N 3.24Å; S367-V384 VanDerWaalsContact OG-N 3.08Å; M369-V384 PolarHBondContact O-N 3.17Å; Y371-V384 HydrophobicContact CE2-CB 4.26Å; Y371-V384 HydrophobicContact CE2-CG2 4.14Å; V384-W387 PolarHBondContact O-N 2.85Å; V384-N388 WeakPolarHBondContact O-CB 3.36Å; V384-N388 PolarHBondContact O-N 2.72Å; V384-N388 PolarHBondContact O-ND2 3.49Å; V384-N388 VanDerWaalsContact O-ND2 3.12Å |
| 385 | D | 94.4 | Very high | 90.9 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 53% | 0.529 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.1 | -43.6 | -178.5 | -59.7 | -47.5 | 0 | 0 | 0 | 112 | C383 W387 N388 Y389 | C383-D385 VanDerWaalsContact C-N 3.26Å; C383-D385 PolarHBondContact O-N 2.91Å; D385-W387 VanDerWaalsContact C-N 3.34Å; D385-N388 PolarHBondContact O-N 3.09Å; D385-Y389 WeakPolarHBondContact O-CB 3.28Å; D385-Y389 PolarHBondContact O-N 3.5Å |
| 386 | C | 94.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 174.4 | -76.1 | 0 | 0 | 0 | 0 | 111.4 | G361 V382 C383 Y389 W390 L396 | G361-C386 VanDerWaalsContact C-SG 3.55Å; V382-C386 HydrophobicContact CB-CB 3.99Å; C383-C386 PolarHBondContact O-N 2.8Å; C383-C386 PolarHBondContact SG-N 2.78Å; C383-C386 VanDerWaalsContact SG-N 3.4Å; C383-C386 VanDerWaalsContact SG-SG 3.67Å; C386-Y389 PolarHBondContact O-N 2.95Å; C386-W390 VanDerWaalsContact O-CB 3.26Å; C386-W390 WeakPolarHBondContact O-CB 3.47Å; C386-W390 PolarHBondContact O-N 3.15Å; C386-L396 HydrophobicContact CB-CD2 3.9Å |
| 387 | W | 93.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 172.5 | 176.7 | -97.7 | 0 | 0 | 0 | 111.6 | N341 A343 Y371 L373 V382 C383 V384 D385 Y389 W390 K391 | N341-W387 WeakPolarHBondContact ND2-CZ2 3.47Å; A343-W387 HydrophobicContact CB-CH2 3.48Å; A343-W387 VanDerWaalsContact CB-CH2 3.48Å; A343-W387 HydrophobicContact CB-CZ2 4.09Å; A343-W387 HydrophobicContact CB-CZ3 3.97Å; Y371-W387 AromaticContact CD1-CD2 3.56Å; Y371-W387 HydrophobicContact CD1-CD2 3.56Å; Y371-W387 AromaticContact CD1-CE2 3.62Å; Y371-W387 AromaticContact CD1-CE3 3.99Å; Y371-W387 HydrophobicContact CD1-CE3 3.99Å; Y371-W387 AromaticContact CD1-CG 3.84Å; Y371-W387 HydrophobicContact CD1-CG 3.84Å; Y371-W387 HydrophobicContact CD1-CH2 4.48Å; Y371-W387 HydrophobicContact CD1-CZ2 4.13Å; Y371-W387 HydrophobicContact CD1-CZ3 4.41Å; Y371-W387 AromaticContact CD1-NE1 3.88Å; Y371-W387 HydrophobicContact CD2-CB 3.55Å; Y371-W387 AromaticContact CD2-CD1 4Å; Y371-W387 HydrophobicContact CD2-CD2 4.05Å; Y371-W387 AromaticContact CD2-CG 3.56Å; Y371-W387 HydrophobicContact CD2-CG 3.56Å; Y371-W387 AromaticContact CE1-CD1 3.88Å; Y371-W387 HydrophobicContact CE1-CD2 4.17Å; Y371-W387 AromaticContact CE1-CE2 3.93Å; Y371-W387 HydrophobicContact CE1-CG 4.16Å; Y371-W387 AromaticContact CE1-NE1 3.72Å; Y371-W387 HydrophobicContact CE2-CB 4.07Å; Y371-W387 AromaticContact CE2-CD1 3.87Å; Y371-W387 AromaticContact CE2-CG 3.91Å; Y371-W387 HydrophobicContact CE2-CG 3.91Å; Y371-W387 HydrophobicContact CG-CB 3.89Å; Y371-W387 AromaticContact CG-CD2 3.48Å; Y371-W387 HydrophobicContact CG-CD2 3.48Å; Y371-W387 VanDerWaalsContact CG-CD2 3.48Å; Y371-W387 AromaticContact CG-CE3 3.75Å; Y371-W387 HydrophobicContact CG-CE3 3.75Å; Y371-W387 AromaticContact CG-CG 3.52Å; Y371-W387 HydrophobicContact CG-CG 3.52Å; Y371-W387 HydrophobicContact CG-CZ3 4.49Å; Y371-W387 AromaticContact CZ-CD1 3.81Å; L373-W387 HydrophobicContact CD1-CZ3 4.41Å; V382-W387 HydrophobicContact CG2-CB 4.26Å; V382-W387 HydrophobicContact CG2-CE3 4.28Å; C383-W387 WeakPolarHBondContact O-CB 3.48Å; C383-W387 PolarHBondContact O-N 3.22Å; V384-W387 PolarHBondContact O-N 2.85Å; D385-W387 VanDerWaalsContact C-N 3.34Å; W387-Y389 VanDerWaalsContact C-N 3.32Å; W387-Y389 PolarHBondContact O-N 3.43Å; W387-W390 HydrophobicContact CE3-CE3 4.36Å; W387-W390 AromaticContact CH2-CZ3 4Å; W387-W390 HydrophobicContact CH2-CZ3 4Å; W387-W390 HydrophobicContact CZ2-CZ3 4.48Å; W387-W390 HydrophobicContact CZ3-CE3 4.25Å; W387-W390 HydrophobicContact CZ3-CZ3 4.07Å; W387-W390 PolarHBondContact O-N 3.27Å; W387-K391 HydrophobicContact CD2-CG 4.36Å; W387-K391 HydrophobicContact CZ2-CD 3.84Å; W387-K391 HydrophobicContact CZ2-CG 4.08Å; W387-K391 WeakPolarHBondContact O-CB 3.44Å; W387-K391 WeakPolarHBondContact O-CG 3.46Å; W387-K391 PolarHBondContact O-N 3.36Å |
| 388 | N | 93.9 | Very high | 92 | Very high | 59 Ų | 59 | 34.6 Ų | 34.6 | 32% | 0.316 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.1 | -36 | 179.1 | -73.5 | -30.1 | 0 | 0 | 0 | 112.6 | V384 D385 R392 | V384-N388 WeakPolarHBondContact O-CB 3.36Å; V384-N388 PolarHBondContact O-N 2.72Å; V384-N388 PolarHBondContact O-ND2 3.49Å; V384-N388 VanDerWaalsContact O-ND2 3.12Å; D385-N388 PolarHBondContact O-N 3.09Å; N388-R392 WeakPolarHBondContact O-CB 3.37Å; N388-R392 WeakPolarHBondContact O-CG 3.43Å; N388-R392 PolarHBondContact O-N 3.01Å; N388-R392 PolarHBondContact O-NE 2.9Å; N388-R392 VanDerWaalsContact O-NE 3.08Å |
| 389 | Y | 94.8 | Very high | 91.3 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -52.2 | 173.3 | -175.6 | -88.9 | 0 | 0 | 0 | 110.2 | H84 D385 C386 W387 K391 R392 Y393 D395 K397 | H84-Y389 AromaticContact ND1-CE1 3.87Å; H84-Y389 AromaticContact ND1-CZ 3.83Å; H84-Y389 PolarHBondContact ND1-OH 3.39Å; D385-Y389 WeakPolarHBondContact O-CB 3.28Å; D385-Y389 PolarHBondContact O-N 3.5Å; C386-Y389 PolarHBondContact O-N 2.95Å; W387-Y389 VanDerWaalsContact C-N 3.32Å; W387-Y389 PolarHBondContact O-N 3.43Å; Y389-K391 VanDerWaalsContact C-N 3.34Å; Y389-K391 PolarHBondContact O-N 3.09Å; Y389-R392 PolarHBondContact O-N 3.23Å; Y389-R392 VanDerWaalsContact O-N 3.09Å; Y389-Y393 HydrophobicContact CD1-CD2 4.09Å; Y389-Y393 AromaticContact CD2-CD2 3.22Å; Y389-Y393 HydrophobicContact CD2-CD2 3.22Å; Y389-Y393 AromaticContact CD2-CE2 3.46Å; Y389-Y393 HydrophobicContact CD2-CE2 3.46Å; Y389-Y393 VanDerWaalsContact CD2-CE2 3.46Å; Y389-Y393 HydrophobicContact CD2-CG 4.28Å; Y389-Y393 HydrophobicContact CE1-CD2 4.1Å; Y389-Y393 HydrophobicContact CE1-CG 4.36Å; Y389-Y393 AromaticContact CE2-CD2 3.22Å; Y389-Y393 HydrophobicContact CE2-CD2 3.22Å; Y389-Y393 AromaticContact CE2-CE2 3.52Å; Y389-Y393 HydrophobicContact CE2-CE2 3.52Å; Y389-Y393 AromaticContact CE2-CG 3.92Å; Y389-Y393 HydrophobicContact CE2-CG 3.92Å; Y389-Y393 AromaticContact CG-CD2 3.67Å; Y389-Y393 HydrophobicContact CG-CD2 3.67Å; Y389-Y393 HydrophobicContact CG-CE2 4.28Å; Y389-Y393 AromaticContact CZ-CD2 3.68Å; Y389-Y393 AromaticContact CZ-CG 3.96Å; Y389-Y393 WeakPolarHBondContact O-CB 3.4Å; Y389-Y393 VanDerWaalsContact O-CD2 3.25Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.23Å; Y389-Y393 PolarHBondContact O-N 2.9Å; Y389-D395 WeakPolarHBondContact CD1-O 3.42Å; Y389-D395 WeakPolarHBondContact CE1-O 3.36Å; Y389-K397 HydrophobicContact CD1-CG 3.84Å; Y389-K397 HydrophobicContact CD2-CD 4.13Å; Y389-K397 HydrophobicContact CD2-CG 3.78Å; Y389-K397 HydrophobicContact CE1-CB 4.25Å; Y389-K397 HydrophobicContact CE1-CG 3.49Å; Y389-K397 VanDerWaalsContact CE1-CG 3.49Å; Y389-K397 HydrophobicContact CE2-CD 3.97Å; Y389-K397 HydrophobicContact CE2-CG 3.41Å; Y389-K397 VanDerWaalsContact CE2-CG 3.41Å; Y389-K397 HydrophobicContact CG-CG 3.99Å |
| 390 | W | 94.9 | Very high | 89.7 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 178.5 | 176.4 | 87.3 | 0 | 0 | 0 | 112.6 | A20 L373 C386 W387 R392 G394 D395 L396 | A20-W390 WeakPolarHBondContact O-CH2 3.33Å; L373-W390 HydrophobicContact CD1-CD2 3.44Å; L373-W390 VanDerWaalsContact CD1-CD2 3.44Å; L373-W390 HydrophobicContact CD1-CE3 3.77Å; L373-W390 HydrophobicContact CD1-CG 4Å; L373-W390 HydrophobicContact CD1-CH2 3.74Å; L373-W390 HydrophobicContact CD1-CZ2 3.42Å; L373-W390 VanDerWaalsContact CD1-CZ2 3.42Å; L373-W390 HydrophobicContact CD1-CZ3 3.9Å; L373-W390 HydrophobicContact CD2-CB 4.43Å; L373-W390 HydrophobicContact CD2-CD2 4.24Å; L373-W390 HydrophobicContact CD2-CG 3.9Å; C386-W390 VanDerWaalsContact O-CB 3.26Å; C386-W390 WeakPolarHBondContact O-CB 3.47Å; C386-W390 PolarHBondContact O-N 3.15Å; W387-W390 HydrophobicContact CE3-CE3 4.36Å; W387-W390 AromaticContact CH2-CZ3 4Å; W387-W390 HydrophobicContact CH2-CZ3 4Å; W387-W390 HydrophobicContact CZ2-CZ3 4.48Å; W387-W390 HydrophobicContact CZ3-CE3 4.25Å; W387-W390 HydrophobicContact CZ3-CZ3 4.07Å; W387-W390 PolarHBondContact O-N 3.27Å; W390-R392 VanDerWaalsContact C-N 3.31Å; W390-R392 PolarHBondContact O-N 3.22Å; W390-G394 PolarHBondContact NE1-O 2.93Å; W390-G394 WeakPolarHBondContact O-CA 3.47Å; W390-G394 PolarHBondContact O-N 2.9Å; W390-D395 WeakPolarHBondContact CA-O 3.34Å; W390-L396 HydrophobicContact CB-CD2 4.24Å |
| 391 | K | 94.8 | Very high | 88 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.7 | -75.9 | -68.4 | -69.7 | -166 | 0 | 111.7 | E16 A18 A19 S21 Y23 W387 Y389 | E16-K391 IonicContact OE1-NZ 3.14Å; E16-K391 PolarHBondContact OE1-NZ 3.02Å; A18-K391 PolarHBondContact O-NZ 3.37Å; A19-K391 PolarHBondContact O-NZ 3.16Å; S21-K391 WeakPolarHBondContact O-CE 3.41Å; S21-K391 PolarHBondContact O-NZ 3.43Å; Y23-K391 WeakPolarHBondContact CB-O 3.2Å; Y23-K391 HydrophobicContact CD2-CB 3.96Å; Y23-K391 WeakPolarHBondContact CD2-O 3.46Å; Y23-K391 HydrophobicContact CE2-CB 3.73Å; Y23-K391 PolarHBondContact N-O 3.18Å; W387-K391 HydrophobicContact CD2-CG 4.36Å; W387-K391 HydrophobicContact CZ2-CD 3.84Å; W387-K391 HydrophobicContact CZ2-CG 4.08Å; W387-K391 WeakPolarHBondContact O-CB 3.44Å; W387-K391 WeakPolarHBondContact O-CG 3.46Å; W387-K391 PolarHBondContact O-N 3.36Å; Y389-K391 VanDerWaalsContact C-N 3.34Å; Y389-K391 PolarHBondContact O-N 3.09Å |
| 392 | R | 95.7 | Very high | 86 | Confident | 78 Ų | 78 | 37 Ų | 37 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -79 | -39.3 | -176.9 | -74.5 | -177 | -80.2 | -165.9 | 4.7 | 114 | Y14 Y23 R48 D124 N388 Y389 W390 | Y14-R392 HydrophobicContact CE1-CB 4.3Å; Y14-R392 HydrophobicContact CE1-CG 4.36Å; Y14-R392 HydrophobicContact CE2-CG 4.09Å; Y23-R392 HydrophobicContact CD2-CG 4.31Å; Y23-R392 HydrophobicContact CE2-CG 4.49Å; R48-R392 PolarHBondContact NH2-O 3.07Å; D124-R392 WeakPolarHBondContact OD1-CD 3.27Å; D124-R392 IonicContact OD1-NH1 3.52Å; D124-R392 IonicContact OD2-NH1 2.88Å; N388-R392 WeakPolarHBondContact O-CB 3.37Å; N388-R392 WeakPolarHBondContact O-CG 3.43Å; N388-R392 PolarHBondContact O-N 3.01Å; N388-R392 PolarHBondContact O-NE 2.9Å; N388-R392 VanDerWaalsContact O-NE 3.08Å; Y389-R392 PolarHBondContact O-N 3.23Å; Y389-R392 VanDerWaalsContact O-N 3.09Å; W390-R392 VanDerWaalsContact C-N 3.31Å; W390-R392 PolarHBondContact O-N 3.22Å |
| 393 | Y | 95.3 | Very high | 84 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 2% | 0.02 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -109.3 | -16.3 | -169.5 | -62.8 | -67 | 0 | 0 | 0 | 113.7 | R48 R85 D124 F126 Y389 D395 | R48-Y393 PolarHBondContact NH1-O 2.75Å; R85-Y393 VanDerWaalsContact NH1-CE1 3.28Å; R85-Y393 PolarHBondContact NH1-OH 2.98Å; R85-Y393 PolarHBondContact NH2-OH 2.65Å; D124-Y393 PolarHBondContact N-OH 2.59Å; F126-Y393 AromaticContact CE1-CD1 3.68Å; F126-Y393 HydrophobicContact CE1-CD1 3.68Å; F126-Y393 HydrophobicContact CE1-CE1 4.05Å; F126-Y393 HydrophobicContact CE2-CE1 4.45Å; F126-Y393 AromaticContact CZ-CD1 3.66Å; F126-Y393 HydrophobicContact CZ-CD1 3.66Å; F126-Y393 AromaticContact CZ-CE1 3.69Å; F126-Y393 HydrophobicContact CZ-CE1 3.69Å; Y389-Y393 HydrophobicContact CD1-CD2 4.09Å; Y389-Y393 AromaticContact CD2-CD2 3.22Å; Y389-Y393 HydrophobicContact CD2-CD2 3.22Å; Y389-Y393 AromaticContact CD2-CE2 3.46Å; Y389-Y393 HydrophobicContact CD2-CE2 3.46Å; Y389-Y393 VanDerWaalsContact CD2-CE2 3.46Å; Y389-Y393 HydrophobicContact CD2-CG 4.28Å; Y389-Y393 HydrophobicContact CE1-CD2 4.1Å; Y389-Y393 HydrophobicContact CE1-CG 4.36Å; Y389-Y393 AromaticContact CE2-CD2 3.22Å; Y389-Y393 HydrophobicContact CE2-CD2 3.22Å; Y389-Y393 AromaticContact CE2-CE2 3.52Å; Y389-Y393 HydrophobicContact CE2-CE2 3.52Å; Y389-Y393 AromaticContact CE2-CG 3.92Å; Y389-Y393 HydrophobicContact CE2-CG 3.92Å; Y389-Y393 AromaticContact CG-CD2 3.67Å; Y389-Y393 HydrophobicContact CG-CD2 3.67Å; Y389-Y393 HydrophobicContact CG-CE2 4.28Å; Y389-Y393 AromaticContact CZ-CD2 3.68Å; Y389-Y393 AromaticContact CZ-CG 3.96Å; Y389-Y393 WeakPolarHBondContact O-CB 3.4Å; Y389-Y393 VanDerWaalsContact O-CD2 3.25Å; Y389-Y393 WeakPolarHBondContact O-CD2 3.23Å; Y389-Y393 PolarHBondContact O-N 2.9Å; Y393-D395 VanDerWaalsContact C-N 3.3Å; Y393-D395 PolarHBondContact O-N 3.5Å |
| 394 | G | 92.8 | Very high | 81.6 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 95.7 | -30.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R50 W390 | R50-G394 PolarHBondContact NH1-O 3.43Å; R50-G394 PolarHBondContact NH2-O 3.43Å; W390-G394 PolarHBondContact NE1-O 2.93Å; W390-G394 WeakPolarHBondContact O-CA 3.47Å; W390-G394 PolarHBondContact O-N 2.9Å |
| 395 | D | 92 | Very high | 79.2 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -126.3 | 177 | -179.6 | -133 | -53.5 | 0 | 0 | 0 | 112.5 | R50 H84 Y389 W390 Y393 L402 | R50-D395 IonicContact NH2-OD2 3.92Å; R50-D395 PolarHBondContact NH2-OD2 2.95Å; R50-D395 VanDerWaalsContact NH2-OD2 3.14Å; H84-D395 VanDerWaalsContact NE2-CB 3.29Å; H84-D395 WeakPolarHBondContact NE2-CB 3.49Å; Y389-D395 WeakPolarHBondContact CD1-O 3.42Å; Y389-D395 WeakPolarHBondContact CE1-O 3.36Å; W390-D395 WeakPolarHBondContact CA-O 3.34Å; Y393-D395 VanDerWaalsContact C-N 3.3Å; Y393-D395 PolarHBondContact O-N 3.5Å; D395-L402 WeakPolarHBondContact OD1-CD2 3.33Å |
| 396 | L | 92.2 | Very high | 76.4 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | trans | -88.6 | 147.8 | 171.8 | -65.8 | 171.3 | 0 | 0 | 0 | 110.5 | H80 H84 L373 C386 W390 S398 | H80-L396 PolarHBondContact NE2-O 3.35Å; H84-L396 PolarHBondContact CE1-O 3.35Å; H84-L396 VanDerWaalsContact CE1-O 3.25Å; L373-L396 HydrophobicContact CD2-CD1 4.25Å; L373-L396 HydrophobicContact CD2-CD2 4.36Å; L373-L396 HydrophobicContact CD2-CG 4.38Å; C386-L396 HydrophobicContact CB-CD2 3.9Å; W390-L396 HydrophobicContact CB-CD2 4.24Å; L396-S398 PolarHBondContact O-N 2.82Å | ||
| 397 | K | 89.2 | Confident | 73.3 | Confident | 110 Ų | 110 | 60.6 Ų | 60.6 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -56.4 | -35.3 | -179 | -75.3 | -174.5 | 178.8 | -174.4 | 0 | 113.2 | H80 Y389 | H80-K397 PolarHBondContact CD2-O 2.98Å; Y389-K397 HydrophobicContact CD1-CG 3.84Å; Y389-K397 HydrophobicContact CD2-CD 4.13Å; Y389-K397 HydrophobicContact CD2-CG 3.78Å; Y389-K397 HydrophobicContact CE1-CB 4.25Å; Y389-K397 HydrophobicContact CE1-CG 3.49Å; Y389-K397 VanDerWaalsContact CE1-CG 3.49Å; Y389-K397 HydrophobicContact CE2-CD 3.97Å; Y389-K397 HydrophobicContact CE2-CG 3.41Å; Y389-K397 VanDerWaalsContact CE2-CG 3.41Å; Y389-K397 HydrophobicContact CG-CG 3.99Å |
| 398 | S | 82.8 | Confident | 70.2 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 47% | 0.469 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -98 | 128.1 | -179 | -53.7 | 0 | 0 | 0 | 0 | 109.9 | L396 S400 | L396-S398 PolarHBondContact O-N 2.82Å; S398-S400 PolarHBondContact O-N 2.83Å |
| 399 | T | 69 | Low | 67.1 | Low | 57 Ų | 57 | 70 Ų | 70 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.2 | -178 | -46.3 | 0 | 0 | 0 | 0 | 113.6 | H80 L401 | H80-T399 PolarHBondContact CD2-OG1 3.47Å; H80-T399 VanDerWaalsContact CD2-OG1 3.26Å; T399-L401 PolarHBondContact O-N 2.78Å |
| 400 | S | 52.7 | Low | 63.9 | Low | 95 Ų | 95 | 75.2 Ų | 75.2 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -1.7 | -163.1 | -176.4 | 0 | 0 | 0 | 0 | 117.9 | S398 | S398-S400 PolarHBondContact O-N 2.83Š|
| 401 | L | 52.7 | Low | 60.7 | Low | 43 Ų | 43 | 78 Ų | 78 | 23% | 0.225 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | -36.4 | -166.5 | -127.5 | 158.2 | 0 | 0 | 0 | 117.6 | E360 L380 T399 D403 K404 | E360-L401 HydrophobicContact CB-CD1 3.71Å; E360-L401 HydrophobicContact CG-CD1 4.46Å; E360-L401 WeakPolarHBondContact O-CD1 3.37Å; L380-L401 HydrophobicContact CD1-CD2 4.02Å; L380-L401 HydrophobicContact CD2-CD2 3.53Å; L380-L401 HydrophobicContact CG-CD2 4.44Å; T399-L401 PolarHBondContact O-N 2.78Å; L401-D403 PolarHBondContact O-N 2.58Å; L401-K404 PolarHBondContact O-N 3.05Å |
| 402 | L | 49.5 | Very low | 57.3 | Low | 45 Ų | 45 | 85.4 Ų | 85.4 | 24% | 0.236 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -78.5 | -24.1 | -170.9 | -148.2 | 70.1 | 0 | 0 | 0 | 114.4 | L380 D395 K404 V405 | L380-L402 HydrophobicContact CD1-CD1 4.13Å; D395-L402 WeakPolarHBondContact OD1-CD2 3.33Å; L402-K404 PolarHBondContact O-N 2.79Å; L402-V405 PolarHBondContact O-N 2.88Å |
| 403 | D | 51.5 | Low | 54 | Low | 137 Ų | 137 | 89.1 Ų | 89.1 | 73% | 0.733 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -67.2 | -16.7 | 173 | -88.2 | -16 | 0 | 0 | 0 | 113.1 | L401 | L401-D403 PolarHBondContact O-N 2.58Š|
| 404 | K | 44 | Very low | 50.5 | Low | 174 Ų | 174 | 95.3 Ų | 95.3 | 76% | 0.757 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -84.6 | -9.5 | -179.2 | -72 | -177.9 | 177.7 | 176.6 | 0 | 114.9 | L401 L402 | L401-K404 PolarHBondContact O-N 3.05Å; L402-K404 PolarHBondContact O-N 2.79Å |
| 405 | V | 43.2 | Very low | 47.4 | Very low | 61 Ų | 61 | 100.5 Ų | 100.5 | 37% | 0.37 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -108.6 | -6.7 | -176.7 | -163.1 | 0 | 0 | 0 | 0 | 112.4 | L402 | L402-V405 PolarHBondContact O-N 2.88Š|
| 406 | S | 35.1 | Very low | 44.1 | Very low | 97 Ų | 97 | 103.8 Ų | 103.8 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -99.2 | 3.1 | -173.6 | -57.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 407 | E | 28.7 | Very low | 41 | Very low | 164 Ų | 164 | 108.9 Ų | 108.9 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -101.7 | 126 | 169.2 | -76 | -153.3 | 154.2 | 0 | 0 | 111.9 | I409 | E407-I409 PolarHBondContact O-N 3.08Š|
| 408 | P | 29.1 | Very low | 37.9 | Very low | 117 Ų | 117 | 108.7 Ų | 108.7 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | trans | -70 | 104.2 | 169.9 | 28.9 | -29.4 | 0 | 0 | 0 | 107.6 | S410 | P408-S410 VanDerWaalsContact C-N 3.32Å; P408-S410 PolarHBondContact O-N 2.79Å | ||
| 409 | I | 28.7 | Very low | 35.2 | Very low | 146 Ų | 146 | 110.5 Ų | 110.5 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | trans | -58.5 | 98.6 | 175.4 | -62.5 | 171.9 | 0 | 0 | 0 | 108.2 | E407 S411 | E407-I409 PolarHBondContact O-N 3.08Å; I409-S411 VanDerWaalsContact C-N 3.27Å; I409-S411 VanDerWaalsContact CG2-OG 3.28Å; I409-S411 WeakPolarHBondContact CG2-OG 3.5Å; I409-S411 PolarHBondContact O-N 3.4Å; I409-S411 VanDerWaalsContact O-N 3.11Å | ||
| 410 | S | 28 | Very low | 33 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | trans | -71.3 | 88.5 | 156.9 | -67.3 | 0 | 0 | 0 | 0 | 106.9 | P408 | P408-S410 VanDerWaalsContact C-N 3.32Å; P408-S410 PolarHBondContact O-N 2.79Å | ||
| 411 | S | 27.4 | Very low | 31.8 | Very low | 76 Ų | 76 | 116.6 Ų | 116.6 | 53% | 0.531 | 70% | 0.702 | S | S | . | * | trans | -135.4 | 100.3 | 162.1 | 66.3 | 0 | 0 | 0 | 0 | 109.3 | I409 L413 | I409-S411 VanDerWaalsContact C-N 3.27Å; I409-S411 VanDerWaalsContact CG2-OG 3.28Å; I409-S411 WeakPolarHBondContact CG2-OG 3.5Å; I409-S411 PolarHBondContact O-N 3.4Å; I409-S411 VanDerWaalsContact O-N 3.11Å; S411-L413 PolarHBondContact O-N 3.17Å; S411-L413 VanDerWaalsContact O-N 3.11Å | ||
| 412 | N | 23.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | -42.2 | 110.2 | 159.8 | -67.2 | -35.3 | 0 | 0 | 0 | 110.2 | ||||
| 413 | L | 27 | Very low | 29.1 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -104.9 | 103.6 | 152.5 | -100.6 | 81.8 | 0 | 0 | 0 | 108.2 | S411 | S411-L413 PolarHBondContact O-N 3.17Å; S411-L413 VanDerWaalsContact O-N 3.11Å | ||
| 414 | T | 22 | Very low | 27.9 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -64 | 118.3 | 167.3 | 41.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 415 | S | 27.1 | Very low | 26.8 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -150.6 | 98.7 | 154.5 | 43.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 416 | A | 22.9 | Very low | 26.1 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 6.3 | 121.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 417 | S | 26.7 | Very low | 25.4 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | -176.2 | 106.9 | 121.7 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 418 | S | 24.6 | Very low | 25.2 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 42.3 | 131.8 | 135.3 | 58.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 419 | S | 26.1 | Very low | 24.9 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 82.9 | 107.2 | 140.3 | 38.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 420 | D | 22.6 | Very low | 24.7 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | 38.2 | 117.1 | 126.9 | -72.7 | -32.7 | 0 | 0 | 0 | 119.2 | |||||
| 421 | S | 27.7 | Very low | 24.7 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | 167.2 | 162.3 | 97.7 | 44.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 422 | K | 22.5 | Very low | 24.7 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | trans | -63.4 | 161.1 | -167.4 | -73 | 162.8 | 169 | 169.1 | 0 | 116.3 | ||||
| 423 | T | 22.9 | Very low | 24.9 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | 74.2 | 117.2 | 143 | 36.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 424 | M | 25.8 | Very low | 24.7 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | 160.3 | 128.9 | 134.7 | -81.6 | -56.2 | 179.7 | 0 | 0 | 105.6 | ||||
| 425 | G | 20.7 | Very low | 24.9 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | cis | 109.5 | 61.4 | 17 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 426 | V | 28.4 | Very low | 24.8 | Very low | 137 Ų | 137 | 136 Ų | 136 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | -155 | 100.4 | 162.2 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 427 | S | 22.5 | Very low | 25 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | 72.7 | 116.3 | 76.4 | -72.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 428 | K | 22.7 | Very low | 24.8 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | trans | 73.9 | 135.8 | 137.4 | -65.4 | 176.1 | -178.4 | 174.6 | 0 | 116.4 | ||||
| 429 | T | 24.4 | Very low | 24.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | cis | -168.7 | 131 | 16.3 | 11.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 430 | N | 23.2 | Very low | 24.9 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 127.1 | 159 | -70.6 | -34.3 | 0 | 0 | 0 | 108.5 | ||||
| 431 | I | 28 | Very low | 24.8 | Very low | 150 Ų | 150 | 148 Ų | 148 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -112 | 106.9 | 169.9 | -62.7 | 177.3 | 0 | 0 | 0 | 107.5 | ||||
| 432 | S | 28.4 | Very low | 24.6 | Very low | 107 Ų | 107 | 147.1 Ų | 147.1 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 131.8 | 169.3 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | T434 | S432-T434 PolarHBondContact O-N 3.43Š| ||
| 433 | I | 26.5 | Very low | 24.7 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -86.6 | 94.8 | 178.5 | -61.6 | 171.1 | 0 | 0 | 0 | 108.3 | ||||
| 434 | T | 24.1 | Very low | 24.8 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -159.7 | 133.7 | 156 | -21 | 0 | 0 | 0 | 0 | 110.1 | S432 | S432-T434 PolarHBondContact O-N 3.43Š| ||
| 435 | E | 24.8 | Very low | 24.7 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | 74.4 | 83.2 | 168.4 | -72 | -176.3 | 142.2 | 0 | 0 | 120.7 | ||||
| 436 | L | 25.5 | Very low | 24.9 | Very low | 155 Ų | 155 | 142 Ų | 142 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -148 | 133.8 | 142.2 | -72.2 | 176.1 | 0 | 0 | 0 | 105.5 | ||||
| 437 | Q | 27.2 | Very low | 24.6 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | cis | -163 | 125.4 | 11.3 | -102.5 | 155.7 | -9.2 | 0 | 0 | 107.6 | ||||
| 438 | A | 22.3 | Very low | 24.7 | Very low | 102 Ų | 102 | 145 Ų | 145 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 113.6 | 142.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 439 | R | 25.1 | Very low | 24.8 | Very low | 217 Ų | 217 | 144.9 Ų | 144.9 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -179.9 | 105.3 | 156.5 | -107.9 | 170.5 | -173.6 | -154 | 1.5 | 111.6 | ||||
| 440 | K | 27.3 | Very low | 25 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | 162.3 | 113.1 | 102.3 | -94 | 173.5 | 177 | -178.7 | 0 | 111.3 | |||||
| 441 | N | 21.1 | Very low | 25 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -70 | 137 | 143.7 | -71.4 | -23.6 | 0 | 0 | 0 | 108.9 | ||||
| 442 | S | 23.9 | Very low | 24.9 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 179.4 | 108.8 | 143.6 | -149.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 443 | S | 23.3 | Very low | 24.8 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | 87.1 | 120.1 | 95.6 | 69.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 444 | T | 25.8 | Very low | 24.9 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | 160.5 | 110.3 | 114.8 | 41.8 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 445 | V | 23.7 | Very low | 25 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | 72.3 | 113.2 | 101.9 | 178.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 446 | S | 25.2 | Very low | 25.2 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -157.7 | 106.4 | 139.7 | -73 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 447 | T | 22.2 | Very low | 25.3 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -85.1 | 129.2 | 170.1 | 29.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 448 | D | 24.5 | Very low | 25.4 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -130.1 | 130.8 | 157.9 | -96.9 | -30.2 | 0 | 0 | 0 | 110.7 | ||||
| 449 | H | 24.7 | Very low | 25.8 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -79.5 | 135.8 | -177.9 | -83.1 | -89.1 | 0 | 0 | 0 | 111.6 | ||||
| 450 | S | 27.4 | Very low | 26.2 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -167.6 | 121.3 | 146 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 451 | T | 24 | Very low | 26.7 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -68.9 | 129.2 | 176.3 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 452 | K | 26.4 | Very low | 27.2 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | 176.8 | 127.8 | 133.8 | -98.2 | 163.7 | -174.2 | -178.9 | 0 | 112.8 | ||||
| 453 | S | 26.8 | Very low | 27.9 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 40.6 | 111.8 | 151.7 | 55.8 | 0 | 0 | 0 | 0 | 120.3 | D455 | S453-D455 PolarHBondContact O-N 2.74Å; S453-D455 VanDerWaalsContact O-N 3.15Å | ||
| 454 | N | 27 | Very low | 28.4 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | -0.6 | 94.8 | 146.7 | -71.5 | -17 | 0 | 0 | 0 | 115.8 | ||||
| 455 | D | 27.2 | Very low | 28.7 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -130.9 | 96.9 | 157.6 | -144.8 | -3.4 | 0 | 0 | 0 | 109.7 | S453 G457 | S453-D455 PolarHBondContact O-N 2.74Å; S453-D455 VanDerWaalsContact O-N 3.15Å; D455-G457 PolarHBondContact O-N 3.27Å; D455-G457 VanDerWaalsContact O-N 3.12Å | ||
| 456 | L | 28.3 | Very low | 29.4 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -68.8 | 96.2 | 172.3 | -77.7 | 121.4 | 0 | 0 | 0 | 108.3 | ||||
| 457 | G | 28.2 | Very low | 30.4 | Very low | 64 Ų | 64 | 133.8 Ų | 133.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | -167.6 | -11.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 120 | D455 N459 | D455-G457 PolarHBondContact O-N 3.27Å; D455-G457 VanDerWaalsContact O-N 3.12Å; G457-N459 PolarHBondContact O-N 2.92Å | ||
| 458 | V | 28.9 | Very low | 31 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | -101.7 | 73.1 | -172.7 | -165.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 459 | N | 30.7 | Very low | 31.5 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | trans | -147.8 | 45.7 | 165.1 | -96.4 | -13.8 | 0 | 0 | 0 | 111.1 | G457 | G457-N459 PolarHBondContact O-N 2.92Š| ||
| 460 | N | 33.9 | Very low | 32 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -138.6 | 16.2 | 173.6 | -135.7 | 8.4 | 0 | 0 | 0 | 115.4 | N462 A463 | N460-N462 VanDerWaalsContact C-N 3.28Å; N460-N462 PolarHBondContact O-N 3.42Å; N460-A463 PolarHBondContact O-N 3.05Å | ||
| 461 | S | 36.8 | Very low | 32.7 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 54% | 0.538 | 74% | 0.742 | S | S | . | * | H | α-helix | trans | -68.8 | -24.6 | 171.6 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | A463 Y464 M465 | S461-A463 VanDerWaalsContact C-N 3.28Å; S461-A463 PolarHBondContact O-N 2.81Å; S461-Y464 PolarHBondContact O-N 3.1Å; S461-M465 PolarHBondContact O-N 3.17Å |
| 462 | N | 32.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -66.9 | -27 | 176.6 | -73.3 | -15.6 | 0 | 0 | 0 | 113.3 | N460 | N460-N462 VanDerWaalsContact C-N 3.28Å; N460-N462 PolarHBondContact O-N 3.42Å |
| 463 | A | 38.9 | Very low | 34.5 | Very low | 52 Ų | 52 | 130.7 Ų | 130.7 | 43% | 0.43 | 73% | 0.734 | S | S | . | * | H | α-helix | trans | -73.1 | -32.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N460 S461 | N460-A463 PolarHBondContact O-N 3.05Å; S461-A463 VanDerWaalsContact C-N 3.28Å; S461-A463 PolarHBondContact O-N 2.81Å |
| 464 | Y | 33.1 | Very low | 35.4 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -75.3 | -35.8 | 179.3 | -100.5 | -84.5 | 0 | 0 | 0 | 112.6 | S461 L466 A467 | S461-Y464 PolarHBondContact O-N 3.1Å; Y464-L466 PolarHBondContact O-N 2.73Å; Y464-A467 PolarHBondContact O-N 3.47Å; Y464-A467 VanDerWaalsContact O-N 3.1Å |
| 465 | M | 32.4 | Very low | 36.3 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -65.3 | -26 | 176.7 | -73.8 | -69.4 | -86.3 | 0 | 0 | 113.3 | S461 A467 | S461-M465 PolarHBondContact O-N 3.17Å; M465-A467 VanDerWaalsContact C-N 3.35Å |
| 466 | L | 38.6 | Very low | 37.8 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -15.8 | 175.6 | -71.2 | 170.3 | 0 | 0 | 0 | 113.5 | Y464 | Y464-L466 PolarHBondContact O-N 2.73Š|
| 467 | A | 45.2 | Very low | 39.3 | Very low | 74 Ų | 74 | 128 Ų | 128 | 61% | 0.612 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -17 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y464 M465 | Y464-A467 PolarHBondContact O-N 3.47Å; Y464-A467 VanDerWaalsContact O-N 3.1Å; M465-A467 VanDerWaalsContact C-N 3.35Å |
| 468 | S | 35.1 | Very low | 40.9 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -84.7 | -5.8 | -173.8 | -56.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 469 | K | 35.7 | Very low | 42.6 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -90.3 | 117 | 166.7 | -78.9 | -178.5 | 175.8 | -179.5 | 0 | 108 | R471 | K469-R471 PolarHBondContact O-N 2.8Š|
| 470 | V | 36.1 | Very low | 44.4 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | trans | -55.7 | 83 | 172.5 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 471 | R | 40.7 | Very low | 46.3 | Very low | 205 Ų | 205 | 123.3 Ų | 123.3 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | trans | -96 | 124.9 | 165.4 | -84.7 | -172.8 | 171.6 | -158 | -3.7 | 105.9 | K469 S473 | K469-R471 PolarHBondContact O-N 2.8Å; R471-S473 PolarHBondContact O-N 3Å | ||
| 472 | T | 46.1 | Very low | 48 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 90% | 0.902 | 66% | 0.659 | S | S | * | * | trans | -57.9 | 10.7 | 168.7 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | V474 | T472-V474 PolarHBondContact O-N 2.94Š| ||
| 473 | S | 42.4 | Very low | 49.8 | Very low | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 65% | 0.653 | S | S | . | * | trans | -76.6 | 98.6 | 167.9 | 59.5 | 0 | 0 | 0 | 0 | 109.2 | R471 S475 | R471-S473 PolarHBondContact O-N 3Å; S473-S475 PolarHBondContact O-N 3.4Å | ||
| 474 | V | 46.2 | Very low | 51.4 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | trans | -53.3 | 105.1 | 159.5 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | T472 F476 | T472-V474 PolarHBondContact O-N 2.94Å; V474-F476 PolarHBondContact O-N 2.97Å | ||
| 475 | S | 46 | Very low | 53.4 | Low | 99 Ų | 99 | 115 Ų | 115 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | trans | -83.1 | 114.9 | 177.4 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | S473 | S473-S475 PolarHBondContact O-N 3.4Š| ||
| 476 | F | 59.3 | Low | 55.4 | Low | 148 Ų | 148 | 108.5 Ų | 108.5 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | trans | -105.2 | 143.9 | 175.5 | 55.1 | -87.9 | 0 | 0 | 0 | 110.5 | V474 F478 | V474-F476 PolarHBondContact O-N 2.97Å; F476-F478 HydrophobicContact CD2-CD2 4.31Å; F476-F478 HydrophobicContact CD2-CE1 4.49Å; F476-F478 AromaticContact CD2-CE2 3.76Å; F476-F478 HydrophobicContact CD2-CE2 3.76Å; F476-F478 AromaticContact CD2-CZ 3.84Å; F476-F478 HydrophobicContact CD2-CZ 3.84Å; F476-F478 HydrophobicContact CE2-CD2 4.31Å; F476-F478 AromaticContact CE2-CE2 3.42Å; F476-F478 HydrophobicContact CE2-CE2 3.42Å; F476-F478 VanDerWaalsContact CE2-CE2 3.42Å; F476-F478 AromaticContact CE2-CZ 3.6Å; F476-F478 HydrophobicContact CE2-CZ 3.6Å | ||
| 477 | H | 58 | Low | 57.1 | Low | 167 Ų | 167 | 101.5 Ų | 101.5 | 77% | 0.773 | 56% | 0.558 | S | S | * | * | trans | -116.5 | 126.5 | 177.5 | -80.3 | 70.5 | 0 | 0 | 0 | 109.9 | V479 | H477-V479 PolarHBondContact O-N 3.41Š| ||
| 478 | F | 61.8 | Low | 58.4 | Low | 179 Ų | 179 | 103.5 Ų | 103.5 | 79% | 0.785 | 55% | 0.55 | S | S | * | . | trans | -84.4 | 107.6 | 173.8 | -68.7 | -70.1 | 0 | 0 | 0 | 110.9 | F476 | F476-F478 HydrophobicContact CD2-CD2 4.31Å; F476-F478 HydrophobicContact CD2-CE1 4.49Å; F476-F478 AromaticContact CD2-CE2 3.76Å; F476-F478 HydrophobicContact CD2-CE2 3.76Å; F476-F478 AromaticContact CD2-CZ 3.84Å; F476-F478 HydrophobicContact CD2-CZ 3.84Å; F476-F478 HydrophobicContact CE2-CD2 4.31Å; F476-F478 AromaticContact CE2-CE2 3.42Å; F476-F478 HydrophobicContact CE2-CE2 3.42Å; F476-F478 VanDerWaalsContact CE2-CE2 3.42Å; F476-F478 AromaticContact CE2-CZ 3.6Å; F476-F478 HydrophobicContact CE2-CZ 3.6Å | ||
| 479 | V | 64.9 | Low | 60.2 | Low | 115 Ų | 115 | 105.9 Ų | 105.9 | 70% | 0.697 | 54% | 0.544 | S | S | * | . | trans | -96.5 | 108.6 | 173.5 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | H477 S481 | H477-V479 PolarHBondContact O-N 3.41Å; V479-S481 PolarHBondContact O-N 2.86Å | ||
| 480 | A | 69 | Low | 61.9 | Low | 23 Ų | 23 | 99.2 Ų | 99.2 | 19% | 0.19 | 52% | 0.516 | C | S | . | . | trans | -61.3 | 132.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L484 R485 | A480-L484 HydrophobicContact CB-CD2 4.07Å; A480-R485 HydrophobicContact CB-CG 4.07Å; A480-R485 PolarHBondContact O-NE 3.14Å; A480-R485 PolarHBondContact O-NH2 3.39Å | ||
| 481 | S | 73.5 | Confident | 63.5 | Low | 65 Ų | 65 | 92.5 Ų | 92.5 | 46% | 0.455 | 48% | 0.475 | S | S | . | . | trans | -59.5 | 156 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | V479 T483 L484 R485 | V479-S481 PolarHBondContact O-N 2.86Å; S481-T483 VanDerWaalsContact C-N 3.25Å; S481-T483 PolarHBondContact O-N 3.41Å; S481-L484 PolarHBondContact O-N 3.32Å; S481-L484 VanDerWaalsContact O-N 3.14Å; S481-L484 VanDerWaalsContact OG-CB 3.32Å; S481-L484 WeakPolarHBondContact OG-CB 3.49Å; S481-L484 PolarHBondContact OG-N 2.82Å; S481-L484 VanDerWaalsContact OG-N 3.12Å; S481-R485 WeakPolarHBondContact O-CG 3.32Å; S481-R485 PolarHBondContact O-N 3.47Å | ||
| 482 | V | 72 | Confident | 64.3 | Low | 47 Ų | 47 | 88.9 Ų | 88.9 | 29% | 0.285 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.7 | -44.1 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | L484 R485 I486 F536 | V482-L484 PolarHBondContact O-N 3.16Å; V482-R485 WeakPolarHBondContact O-CB 2.91Å; V482-R485 PolarHBondContact O-N 3.14Å; V482-R485 VanDerWaalsContact O-N 3.14Å; V482-I486 HydrophobicContact CG1-CD1 3.8Å; V482-I486 HydrophobicContact CG1-CG1 4.29Å; V482-I486 VanDerWaalsContact O-CG1 3.28Å; V482-I486 WeakPolarHBondContact O-CG1 2.95Å; V482-I486 PolarHBondContact O-N 3.35Å; V482-F536 HydrophobicContact CG1-CB 3.96Å |
| 483 | T | 70.5 | Confident | 64.8 | Low | 94 Ų | 94 | 87.5 Ų | 87.5 | 58% | 0.577 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -57.2 | -45.4 | 175.9 | -42 | 0 | 0 | 0 | 0 | 112.1 | S481 R485 I486 A487 | S481-T483 VanDerWaalsContact C-N 3.25Å; S481-T483 PolarHBondContact O-N 3.41Å; T483-R485 PolarHBondContact O-N 3.12Å; T483-I486 WeakPolarHBondContact O-CB 3.44Å; T483-I486 PolarHBondContact O-N 2.71Å; T483-A487 VanDerWaalsContact O-CB 3.3Å; T483-A487 WeakPolarHBondContact O-CB 3.36Å; T483-A487 PolarHBondContact O-N 3.06Å |
| 484 | L | 73.6 | Confident | 65.5 | Low | 57 Ų | 57 | 85.1 Ų | 85.1 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 178.1 | -173.8 | 63 | 0 | 0 | 0 | 112.1 | A480 S481 V482 R488 F513 | A480-L484 HydrophobicContact CB-CD2 4.07Å; S481-L484 PolarHBondContact O-N 3.32Å; S481-L484 VanDerWaalsContact O-N 3.14Å; S481-L484 VanDerWaalsContact OG-CB 3.32Å; S481-L484 WeakPolarHBondContact OG-CB 3.49Å; S481-L484 PolarHBondContact OG-N 2.82Å; S481-L484 VanDerWaalsContact OG-N 3.12Å; V482-L484 PolarHBondContact O-N 3.16Å; L484-R488 WeakPolarHBondContact O-CB 3.42Å; L484-R488 WeakPolarHBondContact O-CG 3.39Å; L484-R488 PolarHBondContact O-N 2.94Å; L484-F513 HydrophobicContact CD1-CE1 3.96Å; L484-F513 HydrophobicContact CD1-CZ 4.49Å |
| 485 | R | 74.5 | Confident | 66.5 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 25% | 0.249 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 174.4 | -67.2 | 175.4 | -169.7 | -159.1 | -1.5 | 111.7 | A480 S481 V482 T483 R489 F536 | A480-R485 HydrophobicContact CB-CG 4.07Å; A480-R485 PolarHBondContact O-NE 3.14Å; A480-R485 PolarHBondContact O-NH2 3.39Å; S481-R485 WeakPolarHBondContact O-CG 3.32Å; S481-R485 PolarHBondContact O-N 3.47Å; V482-R485 WeakPolarHBondContact O-CB 2.91Å; V482-R485 PolarHBondContact O-N 3.14Å; V482-R485 VanDerWaalsContact O-N 3.14Å; T483-R485 PolarHBondContact O-N 3.12Å; R485-R489 PolarHBondContact O-N 3.21Å; R485-F536 HydrophobicContact CB-CD1 4.07Å; R485-F536 HydrophobicContact CB-CE1 3.86Å; R485-F536 HydrophobicContact CB-CZ 4.1Å |
| 486 | I | 73.6 | Confident | 67.6 | Low | 16 Ų | 16 | 81.8 Ų | 81.8 | 8% | 0.082 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.5 | -53.3 | 174.5 | -70.6 | 175.9 | 0 | 0 | 0 | 110 | V482 T483 R488 R489 L490 L521 L532 F536 | V482-I486 HydrophobicContact CG1-CD1 3.8Å; V482-I486 HydrophobicContact CG1-CG1 4.29Å; V482-I486 VanDerWaalsContact O-CG1 3.28Å; V482-I486 WeakPolarHBondContact O-CG1 2.95Å; V482-I486 PolarHBondContact O-N 3.35Å; T483-I486 WeakPolarHBondContact O-CB 3.44Å; T483-I486 PolarHBondContact O-N 2.71Å; I486-R488 VanDerWaalsContact C-N 3.29Å; I486-R488 PolarHBondContact O-N 3.1Å; I486-R489 WeakPolarHBondContact O-CA 3.4Å; I486-R489 WeakPolarHBondContact O-CB 3.41Å; I486-R489 PolarHBondContact O-N 2.84Å; I486-L490 HydrophobicContact CG2-CD1 3.68Å; I486-L490 HydrophobicContact CG2-CG 4.24Å; I486-L490 WeakPolarHBondContact O-CG 3.32Å; I486-L490 PolarHBondContact O-N 2.97Å; I486-L521 HydrophobicContact CG2-CD2 3.98Å; I486-L532 HydrophobicContact CB-CD2 3.82Å; I486-L532 HydrophobicContact CD1-CD2 4.1Å; I486-L532 HydrophobicContact CG1-CD2 3.54Å; I486-L532 HydrophobicContact CG1-CG 4.24Å; I486-L532 HydrophobicContact CG2-CD2 3.36Å; I486-F536 HydrophobicContact CB-CE2 4.48Å; I486-F536 HydrophobicContact CD1-CD2 4.31Å; I486-F536 HydrophobicContact CG1-CD2 3.56Å; I486-F536 HydrophobicContact CG1-CE2 3.61Å |
| 487 | A | 74.2 | Confident | 68.3 | Low | 5 Ų | 5 | 84.6 Ų | 84.6 | 4% | 0.041 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -54.2 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T483 R489 L490 C491 F513 T517 | T483-A487 VanDerWaalsContact O-CB 3.3Å; T483-A487 WeakPolarHBondContact O-CB 3.36Å; T483-A487 PolarHBondContact O-N 3.06Å; A487-R489 PolarHBondContact O-N 3.28Å; A487-L490 PolarHBondContact O-N 2.9Å; A487-C491 PolarHBondContact O-N 2.88Å; A487-C491 VanDerWaalsContact O-N 3.09Å; A487-F513 HydrophobicContact CB-CE1 3.73Å; A487-F513 HydrophobicContact CB-CZ 3.62Å; A487-T517 HydrophobicContact CB-CG2 3.83Å |
| 488 | R | 73.7 | Confident | 69.2 | Low | 116 Ų | 116 | 85.6 Ų | 85.6 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -22.3 | 176.4 | -75.3 | 172.8 | -178.3 | 169.6 | -0.1 | 114.2 | L484 I486 F513 | L484-R488 WeakPolarHBondContact O-CB 3.42Å; L484-R488 WeakPolarHBondContact O-CG 3.39Å; L484-R488 PolarHBondContact O-N 2.94Å; I486-R488 VanDerWaalsContact C-N 3.29Å; I486-R488 PolarHBondContact O-N 3.1Å; R488-F513 HydrophobicContact CG-CE2 4.47Å; R488-F513 HydrophobicContact CG-CZ 4.02Å |
| 489 | R | 72.3 | Confident | 69.7 | Low | 148 Ų | 148 | 81.8 Ų | 81.8 | 56% | 0.558 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -87.8 | -31.4 | 174.4 | -72.8 | -62.7 | -172.3 | 134 | 0.4 | 112.6 | R485 I486 A487 F536 | R485-R489 PolarHBondContact O-N 3.21Å; I486-R489 WeakPolarHBondContact O-CA 3.4Å; I486-R489 WeakPolarHBondContact O-CB 3.41Å; I486-R489 PolarHBondContact O-N 2.84Å; A487-R489 PolarHBondContact O-N 3.28Å; R489-F536 HydrophobicContact CG-CZ 3.93Å |
| 490 | L | 71.8 | Confident | 70 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -75.6 | -34.1 | 179.9 | -65.2 | 172 | 0 | 0 | 0 | 112.4 | I486 A487 V492 L520 L521 L524 | I486-L490 HydrophobicContact CG2-CD1 3.68Å; I486-L490 HydrophobicContact CG2-CG 4.24Å; I486-L490 WeakPolarHBondContact O-CG 3.32Å; I486-L490 PolarHBondContact O-N 2.97Å; A487-L490 PolarHBondContact O-N 2.9Å; L490-V492 VanDerWaalsContact C-N 3.3Å; L490-V492 WeakPolarHBondContact O-CG2 3.3Å; L490-V492 PolarHBondContact O-N 3.43Å; L490-L520 HydrophobicContact CB-CB 4.34Å; L490-L520 HydrophobicContact CB-CD1 4.3Å; L490-L520 WeakPolarHBondContact O-CD1 3.31Å; L490-L521 HydrophobicContact CD1-CD2 3.55Å; L490-L521 HydrophobicContact CD1-CG 3.98Å; L490-L524 HydrophobicContact CD1-CD1 3.82Å; L490-L524 HydrophobicContact CD2-CD1 4.26Å; L490-L524 HydrophobicContact CD2-CD2 4.21Å |
| 491 | C | 70.1 | Confident | 70.3 | Confident | 9 Ų | 9 | 89.6 Ų | 89.6 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | trans | -68.7 | 86.1 | 169.6 | -75.4 | 0 | 0 | 0 | 0 | 110.9 | A487 T493 F513 T517 | A487-C491 PolarHBondContact O-N 2.88Å; A487-C491 VanDerWaalsContact O-N 3.09Å; C491-T493 PolarHBondContact O-N 3.12Å; C491-F513 HydrophobicContact CB-CE2 4.22Å; C491-T517 WeakPolarHBondContact SG-CG2 3.35Å | ||
| 492 | V | 57.3 | Low | 70.4 | Confident | 129 Ų | 129 | 91 Ų | 91 | 78% | 0.782 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.7 | 179.9 | -175.9 | 0 | 0 | 0 | 0 | 112.8 | L490 S494 | L490-V492 VanDerWaalsContact C-N 3.3Å; L490-V492 WeakPolarHBondContact O-CG2 3.3Å; L490-V492 PolarHBondContact O-N 3.43Å; V492-S494 PolarHBondContact O-N 3.26Å |
| 493 | T | 57.1 | Low | 70.2 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 72% | 0.724 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12.2 | -180 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | C491 | C491-T493 PolarHBondContact O-N 3.12Š|
| 494 | S | 56.5 | Low | 70.5 | Confident | 27 Ų | 27 | 98.4 Ų | 98.4 | 19% | 0.189 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -153 | 133.3 | 168.6 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | V492 R499 | V492-S494 PolarHBondContact O-N 3.26Å; S494-R499 WeakPolarHBondContact OG-CD 3.28Å; S494-R499 PolarHBondContact OG-NE 3.46Å; S494-R499 PolarHBondContact OG-NH1 3.46Å; S494-R499 PolarHBondContact OG-NH2 2.99Å |
| 495 | N | 66.8 | Low | 70.4 | Confident | 106 Ų | 106 | 102.8 Ų | 102.8 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | trans | -60.1 | 121.8 | 179.3 | -160.8 | -29.5 | 0 | 0 | 0 | 110.5 | R497 R498 R499 | N495-R497 PolarHBondContact O-N 3.35Å; N495-R497 VanDerWaalsContact O-N 3.1Å; N495-R498 HydrophobicContact CB-CB 4.46Å; N495-R498 WeakPolarHBondContact O-CB 3.5Å; N495-R498 PolarHBondContact O-N 3.28Å; N495-R499 PolarHBondContact O-N 3.4Å | ||
| 496 | P | 69.2 | Low | 69.8 | Low | 50 Ų | 50 | 110.8 Ų | 110.8 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -29.4 | -173.4 | 20.9 | -33.7 | 0 | 0 | 0 | 113.2 | R498 R499 A500 | P496-R498 VanDerWaalsContact C-N 3.35Å; P496-R498 PolarHBondContact O-N 3.28Å; P496-R499 PolarHBondContact O-N 3.35Å; P496-A500 PolarHBondContact O-N 3Å |
| 497 | R | 74.3 | Confident | 69.2 | Low | 207 Ų | 207 | 113.5 Ų | 113.5 | 78% | 0.781 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 174.9 | -69.5 | -172.9 | -176.1 | -160.4 | 1.8 | 112.7 | N495 | N495-R497 PolarHBondContact O-N 3.35Å; N495-R497 VanDerWaalsContact O-N 3.1Å |
| 498 | R | 75.8 | Confident | 68.4 | Low | 188 Ų | 188 | 117.9 Ų | 117.9 | 71% | 0.709 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.3 | -41.8 | 178 | -172.2 | 179.3 | -179.6 | -176.7 | 1.4 | 110.7 | N495 P496 R501 | N495-R498 HydrophobicContact CB-CB 4.46Å; N495-R498 WeakPolarHBondContact O-CB 3.5Å; N495-R498 PolarHBondContact O-N 3.28Å; P496-R498 VanDerWaalsContact C-N 3.35Å; P496-R498 PolarHBondContact O-N 3.28Å; R498-R501 PolarHBondContact O-N 3.26Å |
| 499 | R | 72.3 | Confident | 67.9 | Low | 99 Ų | 99 | 119.5 Ų | 119.5 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.1 | -34.4 | 176.6 | -78.7 | -163.9 | 173.1 | 156.2 | 4.2 | 113.3 | S494 N495 P496 R501 Q502 | S494-R499 WeakPolarHBondContact OG-CD 3.28Å; S494-R499 PolarHBondContact OG-NE 3.46Å; S494-R499 PolarHBondContact OG-NH1 3.46Å; S494-R499 PolarHBondContact OG-NH2 2.99Å; N495-R499 PolarHBondContact O-N 3.4Å; P496-R499 PolarHBondContact O-N 3.35Å; R499-R501 PolarHBondContact O-N 3.12Å; R499-R501 VanDerWaalsContact O-N 3.15Å; R499-Q502 CarbonylContact O-C 3.45Å; R499-Q502 PolarHBondContact O-N 3.37Å |
| 500 | A | 71.6 | Confident | 67.5 | Low | 80 Ų | 80 | 119.4 Ų | 119.4 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60 | -24.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | P496 Q502 | P496-A500 PolarHBondContact O-N 3Å; A500-Q502 VanDerWaalsContact C-N 3.3Å |
| 501 | R | 75.5 | Confident | 67.4 | Low | 222 Ų | 222 | 122 Ų | 122 | 84% | 0.838 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -2.5 | 173.6 | -66.2 | 178.9 | 163.6 | -175.8 | -5.9 | 114 | R498 R499 | R498-R501 PolarHBondContact O-N 3.26Å; R499-R501 PolarHBondContact O-N 3.12Å; R499-R501 VanDerWaalsContact O-N 3.15Å |
| 502 | Q | 76.4 | Confident | 67.4 | Low | 94 Ų | 94 | 124.6 Ų | 124.6 | 44% | 0.439 | 61% | 0.605 | S | S | . | * | trans | -134.6 | 64 | 179.8 | -65.1 | -172.4 | -20.2 | 0 | 0 | 111 | R499 A500 F504 K505 | R499-Q502 CarbonylContact O-C 3.45Å; R499-Q502 PolarHBondContact O-N 3.37Å; A500-Q502 VanDerWaalsContact C-N 3.3Å; Q502-F504 VanDerWaalsContact C-N 3.26Å; Q502-F504 PolarHBondContact O-N 3.49Å; Q502-K505 HydrophobicContact CB-CB 4.02Å; Q502-K505 PolarHBondContact O-N 3.02Å; Q502-K505 VanDerWaalsContact O-N 3.16Å | ||
| 503 | P | 67.5 | Low | 67.9 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -27.4 | -172 | 25.6 | -34.6 | 0 | 0 | 0 | 114.1 | ||
| 504 | F | 75.9 | Confident | 68.6 | Low | 200 Ų | 200 | 118.7 Ų | 118.7 | 88% | 0.877 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -4.5 | -179.1 | -51.9 | -67 | 0 | 0 | 0 | 113.7 | Q502 R506 | Q502-F504 VanDerWaalsContact C-N 3.26Å; Q502-F504 PolarHBondContact O-N 3.49Å; F504-R506 PolarHBondContact O-N 3.37Å |
| 505 | K | 72.4 | Confident | 69.4 | Low | 148 Ų | 148 | 122.4 Ų | 122.4 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -75.1 | 112 | 176.9 | -170.7 | 169.2 | -176.8 | 172.8 | 0 | 108.6 | Q502 L507 | Q502-K505 HydrophobicContact CB-CB 4.02Å; Q502-K505 PolarHBondContact O-N 3.02Å; Q502-K505 VanDerWaalsContact O-N 3.16Å; K505-L507 PolarHBondContact O-N 2.83Å |
| 506 | R | 61.5 | Low | 69.7 | Low | 234 Ų | 234 | 121.6 Ų | 121.6 | 88% | 0.883 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -52 | 127.5 | 179.4 | -146.2 | 176.8 | -157.8 | 167 | 4.8 | 109.1 | F504 T508 | F504-R506 PolarHBondContact O-N 3.37Å; R506-T508 PolarHBondContact O-N 2.9Å |
| 507 | L | 61.9 | Low | 69.9 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 38% | 0.382 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 131.7 | 161.9 | -65.2 | 168.5 | 0 | 0 | 0 | 105.5 | K505 | K505-L507 PolarHBondContact O-N 2.83Š|
| 508 | T | 56.1 | Low | 70 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 60% | 0.601 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -47.3 | 146.9 | 161.5 | 33.3 | 0 | 0 | 0 | 0 | 108.4 | R506 | R506-T508 PolarHBondContact O-N 2.9Š|
| 509 | F | 63.2 | Low | 70.1 | Confident | 149 Ų | 149 | 107.8 Ų | 107.8 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | trans | -38.5 | 139.3 | -157.3 | -65.8 | -89.4 | 0 | 0 | 0 | 112.9 | T511 D512 F513 | F509-T511 VanDerWaalsContact CB-OG1 3.24Å; F509-T511 WeakPolarHBondContact CB-OG1 3.48Å; F509-T511 CarbonylContact O-C 3.55Å; F509-T511 PolarHBondContact O-N 3.27Å; F509-D512 WeakPolarHBondContact O-CA 3.46Å; F509-D512 WeakPolarHBondContact O-CB 3.33Å; F509-D512 PolarHBondContact O-N 3.29Å; F509-F513 PolarHBondContact O-N 2.96Å; F509-F513 VanDerWaalsContact O-N 3.15Å | ||
| 510 | L | 63.9 | Low | 70.3 | Confident | 146 Ų | 146 | 106.1 Ų | 106.1 | 76% | 0.764 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54.7 | -25.6 | -177.7 | -155 | 137.4 | 0 | 0 | 0 | 111.9 | H514 | L510-H514 VanDerWaalsContact O-CB 3.32Å; L510-H514 WeakPolarHBondContact O-CB 3.34Å; L510-H514 PolarHBondContact O-N 3.34Å |
| 511 | T | 70.5 | Confident | 70.3 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -48 | 168.9 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | F509 H514 N515 | F509-T511 VanDerWaalsContact CB-OG1 3.24Å; F509-T511 WeakPolarHBondContact CB-OG1 3.48Å; F509-T511 CarbonylContact O-C 3.55Å; F509-T511 PolarHBondContact O-N 3.27Å; T511-H514 WeakPolarHBondContact O-CB 3.12Å; T511-H514 PolarHBondContact O-N 2.88Å; T511-H514 VanDerWaalsContact O-N 3.16Å; T511-N515 WeakPolarHBondContact O-CB 3.19Å; T511-N515 PolarHBondContact O-N 2.9Å; T511-N515 PolarHBondContact O-ND2 3.33Å |
| 512 | D | 68.9 | Low | 70.3 | Confident | 64 Ų | 64 | 100 Ų | 100 | 34% | 0.342 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | -180 | -53.1 | -19.6 | 0 | 0 | 0 | 109.9 | F509 H514 N515 D516 | F509-D512 WeakPolarHBondContact O-CA 3.46Å; F509-D512 WeakPolarHBondContact O-CB 3.33Å; F509-D512 PolarHBondContact O-N 3.29Å; D512-H514 VanDerWaalsContact C-N 3.27Å; D512-H514 PolarHBondContact O-N 2.85Å; D512-N515 PolarHBondContact O-N 3.41Å; D512-D516 WeakPolarHBondContact O-CB 3.44Å; D512-D516 VanDerWaalsContact O-CG 3.31Å; D512-D516 PolarHBondContact O-N 3.03Å |
| 513 | F | 69.6 | Low | 70.4 | Confident | 24 Ų | 24 | 103.3 Ų | 103.3 | 11% | 0.105 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 173.1 | -179.1 | -99.6 | 0 | 0 | 0 | 111.8 | L484 A487 R488 C491 F509 T517 | L484-F513 HydrophobicContact CD1-CE1 3.96Å; L484-F513 HydrophobicContact CD1-CZ 4.49Å; A487-F513 HydrophobicContact CB-CE1 3.73Å; A487-F513 HydrophobicContact CB-CZ 3.62Å; R488-F513 HydrophobicContact CG-CE2 4.47Å; R488-F513 HydrophobicContact CG-CZ 4.02Å; C491-F513 HydrophobicContact CB-CE2 4.22Å; F509-F513 PolarHBondContact O-N 2.96Å; F509-F513 VanDerWaalsContact O-N 3.15Å; F513-T517 HydrophobicContact CD1-CG2 4.3Å; F513-T517 HydrophobicContact CD2-CG2 4.31Å; F513-T517 HydrophobicContact CE1-CG2 3.98Å; F513-T517 HydrophobicContact CE2-CG2 3.98Å; F513-T517 HydrophobicContact CG-CG2 4.47Å; F513-T517 HydrophobicContact CZ-CG2 3.82Å; F513-T517 WeakPolarHBondContact O-CB 3.39Å; F513-T517 WeakPolarHBondContact O-CG2 3.48Å; F513-T517 PolarHBondContact O-N 3.02Å; F513-T517 VanDerWaalsContact O-N 3.09Å; F513-T517 PolarHBondContact O-OG1 3.46Å |
| 514 | H | 70 | Confident | 70.9 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 175.8 | -172.7 | -96.7 | 0 | 0 | 0 | 111.7 | L510 T511 D512 D516 T517 L518 | L510-H514 VanDerWaalsContact O-CB 3.32Å; L510-H514 WeakPolarHBondContact O-CB 3.34Å; L510-H514 PolarHBondContact O-N 3.34Å; T511-H514 WeakPolarHBondContact O-CB 3.12Å; T511-H514 PolarHBondContact O-N 2.88Å; T511-H514 VanDerWaalsContact O-N 3.16Å; D512-H514 VanDerWaalsContact C-N 3.27Å; D512-H514 PolarHBondContact O-N 2.85Å; H514-D516 VanDerWaalsContact C-N 3.33Å; H514-D516 PolarHBondContact O-N 3.38Å; H514-T517 WeakPolarHBondContact CA-OG1 3.48Å; H514-T517 PolarHBondContact O-N 2.98Å; H514-T517 PolarHBondContact O-OG1 3.09Å; H514-T517 VanDerWaalsContact O-OG1 3.06Å; H514-L518 WeakPolarHBondContact CE1-CD1 3.32Å; H514-L518 WeakPolarHBondContact O-CB 3.39Å; H514-L518 PolarHBondContact O-N 3.2Å |
| 515 | N | 73.7 | Confident | 71.1 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | 178.2 | -68.1 | -19.6 | 0 | 0 | 0 | 112.5 | T511 D512 P519 | T511-N515 WeakPolarHBondContact O-CB 3.19Å; T511-N515 PolarHBondContact O-N 2.9Å; T511-N515 PolarHBondContact O-ND2 3.33Å; D512-N515 PolarHBondContact O-N 3.41Å; N515-P519 WeakPolarHBondContact O-CD 3.47Å; N515-P519 WeakPolarHBondContact O-CG 3.44Å |
| 516 | D | 74.1 | Confident | 71.4 | Confident | 90 Ų | 90 | 92.5 Ų | 92.5 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.5 | -32.8 | 175.8 | -73.7 | -9.4 | 0 | 0 | 0 | 112.4 | D512 H514 L520 | D512-D516 WeakPolarHBondContact O-CB 3.44Å; D512-D516 VanDerWaalsContact O-CG 3.31Å; D512-D516 PolarHBondContact O-N 3.03Å; H514-D516 VanDerWaalsContact C-N 3.33Å; H514-D516 PolarHBondContact O-N 3.38Å; D516-L520 WeakPolarHBondContact O-CD1 3.44Å; D516-L520 WeakPolarHBondContact O-CG 3.21Å |
| 517 | T | 73.2 | Confident | 72.4 | Confident | 6 Ų | 6 | 84.8 Ų | 84.8 | 4% | 0.037 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -87.1 | -35.5 | -172.9 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | A487 C491 F513 H514 L520 L521 | A487-T517 HydrophobicContact CB-CG2 3.83Å; C491-T517 WeakPolarHBondContact SG-CG2 3.35Å; F513-T517 HydrophobicContact CD1-CG2 4.3Å; F513-T517 HydrophobicContact CD2-CG2 4.31Å; F513-T517 HydrophobicContact CE1-CG2 3.98Å; F513-T517 HydrophobicContact CE2-CG2 3.98Å; F513-T517 HydrophobicContact CG-CG2 4.47Å; F513-T517 HydrophobicContact CZ-CG2 3.82Å; F513-T517 WeakPolarHBondContact O-CB 3.39Å; F513-T517 WeakPolarHBondContact O-CG2 3.48Å; F513-T517 PolarHBondContact O-N 3.02Å; F513-T517 VanDerWaalsContact O-N 3.09Å; F513-T517 PolarHBondContact O-OG1 3.46Å; H514-T517 WeakPolarHBondContact CA-OG1 3.48Å; H514-T517 PolarHBondContact O-N 2.98Å; H514-T517 PolarHBondContact O-OG1 3.09Å; H514-T517 VanDerWaalsContact O-OG1 3.06Å; T517-L520 PolarHBondContact O-N 2.89Å; T517-L520 VanDerWaalsContact O-N 3.1Å; T517-L521 WeakPolarHBondContact O-CG 3.47Å; T517-L521 PolarHBondContact O-N 3.32Å |
| 518 | L | 76.5 | Confident | 73.2 | Confident | 84 Ų | 84 | 86 Ų | 86 | 44% | 0.44 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | -175.1 | -154.2 | 150.3 | 0 | 0 | 0 | 112.8 | H514 L520 L521 T522 | H514-L518 WeakPolarHBondContact CE1-CD1 3.32Å; H514-L518 WeakPolarHBondContact O-CB 3.39Å; H514-L518 PolarHBondContact O-N 3.2Å; L518-L520 VanDerWaalsContact C-N 3.27Å; L518-L520 PolarHBondContact O-N 2.79Å; L518-L521 PolarHBondContact O-N 3.31Å; L518-T522 HydrophobicContact CD2-CG2 4.45Å; L518-T522 PolarHBondContact O-N 2.74Å; L518-T522 VanDerWaalsContact O-N 3.16Å; L518-T522 PolarHBondContact O-OG1 2.86Å |
| 519 | P | 77.5 | Confident | 74.2 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 42% | 0.416 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.4 | -24.9 | 175 | -18.4 | 31.6 | 0 | 0 | 0 | 113.9 | N515 T522 K523 | N515-P519 WeakPolarHBondContact O-CD 3.47Å; N515-P519 WeakPolarHBondContact O-CG 3.44Å; P519-T522 WeakPolarHBondContact CA-OG1 3.38Å; P519-T522 PolarHBondContact O-OG1 3.05Å; P519-K523 WeakPolarHBondContact O-CG 3.22Å |
| 520 | L | 76 | Confident | 74.9 | Confident | 65 Ų | 65 | 82.1 Ų | 82.1 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.6 | -34 | 176.7 | -64.5 | 175 | 0 | 0 | 0 | 111.2 | L490 D516 T517 L518 T522 K523 | L490-L520 HydrophobicContact CB-CB 4.34Å; L490-L520 HydrophobicContact CB-CD1 4.3Å; L490-L520 WeakPolarHBondContact O-CD1 3.31Å; D516-L520 WeakPolarHBondContact O-CD1 3.44Å; D516-L520 WeakPolarHBondContact O-CG 3.21Å; T517-L520 PolarHBondContact O-N 2.89Å; T517-L520 VanDerWaalsContact O-N 3.1Å; L518-L520 VanDerWaalsContact C-N 3.27Å; L518-L520 PolarHBondContact O-N 2.79Å; L520-T522 VanDerWaalsContact C-N 3.34Å; L520-K523 PolarHBondContact O-N 2.85Å |
| 521 | L | 71.8 | Confident | 75.7 | Confident | 66 Ų | 66 | 82.7 Ų | 82.7 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | 174 | -75.2 | 167 | 0 | 0 | 0 | 111.8 | I486 L490 T517 L518 K523 L524 | I486-L521 HydrophobicContact CG2-CD2 3.98Å; L490-L521 HydrophobicContact CD1-CD2 3.55Å; L490-L521 HydrophobicContact CD1-CG 3.98Å; T517-L521 WeakPolarHBondContact O-CG 3.47Å; T517-L521 PolarHBondContact O-N 3.32Å; L518-L521 PolarHBondContact O-N 3.31Å; L521-K523 VanDerWaalsContact C-N 3.33Å; L521-L524 HydrophobicContact CD2-CD1 4.12Å; L521-L524 PolarHBondContact O-N 2.97Å |
| 522 | T | 76 | Confident | 76 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 65% | 0.65 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -73.6 | -22 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | L518 P519 L520 | L518-T522 HydrophobicContact CD2-CG2 4.45Å; L518-T522 PolarHBondContact O-N 2.74Å; L518-T522 VanDerWaalsContact O-N 3.16Å; L518-T522 PolarHBondContact O-OG1 2.86Å; P519-T522 WeakPolarHBondContact CA-OG1 3.38Å; P519-T522 PolarHBondContact O-OG1 3.05Å; L520-T522 VanDerWaalsContact C-N 3.34Å |
| 523 | K | 78.8 | Confident | 76.5 | Confident | 164 Ų | 164 | 79.1 Ų | 79.1 | 71% | 0.713 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -12.2 | 175.7 | -74.3 | 177.7 | -177.4 | -175.5 | 0 | 114.1 | P519 L520 L521 T525 | P519-K523 WeakPolarHBondContact O-CG 3.22Å; L520-K523 PolarHBondContact O-N 2.85Å; L521-K523 VanDerWaalsContact C-N 3.33Å; K523-T525 PolarHBondContact O-N 3.27Å |
| 524 | L | 76.7 | Confident | 76.8 | Confident | 39 Ų | 39 | 82.8 Ų | 82.8 | 20% | 0.204 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -69.3 | 127.1 | 178.6 | -76.4 | 166.5 | 0 | 0 | 0 | 110.2 | L490 L521 E528 | L490-L524 HydrophobicContact CD1-CD1 3.82Å; L490-L524 HydrophobicContact CD2-CD1 4.26Å; L490-L524 HydrophobicContact CD2-CD2 4.21Å; L521-L524 HydrophobicContact CD2-CD1 4.12Å; L521-L524 PolarHBondContact O-N 2.97Å; L524-E528 HydrophobicContact CD2-CB 3.86Å |
| 525 | T | 81.5 | Confident | 77.1 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 42% | 0.423 | 45% | 0.45 | S | S | . | . | trans | -63.5 | 152.1 | 168.2 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | K523 A527 E528 S529 | K523-T525 PolarHBondContact O-N 3.27Å; T525-A527 PolarHBondContact O-N 3.06Å; T525-A527 VanDerWaalsContact O-N 3.13Å; T525-E528 PolarHBondContact N-OE2 3.05Å; T525-E528 PolarHBondContact O-N 3.27Å; T525-E528 VanDerWaalsContact O-N 3.08Å; T525-E528 WeakPolarHBondContact OG1-CB 3.4Å; T525-E528 VanDerWaalsContact OG1-CD 3.27Å; T525-E528 WeakPolarHBondContact OG1-CG 3.34Å; T525-E528 PolarHBondContact OG1-N 2.9Å; T525-E528 PolarHBondContact OG1-OE2 3.23Å; T525-S529 PolarHBondContact O-N 3.37Å | ||
| 526 | P | 78.9 | Confident | 76.9 | Confident | 111 Ų | 111 | 81.8 Ų | 81.8 | 72% | 0.721 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -54.1 | -32.2 | 175.4 | -27.9 | 35.3 | 0 | 0 | 0 | 113.5 | S529 H530 | P526-S529 PolarHBondContact O-OG 2.89Å; P526-H530 WeakPolarHBondContact O-CB 3.46Å; P526-H530 PolarHBondContact O-N 3.32Å; P526-H530 VanDerWaalsContact O-N 3.12Å |
| 527 | A | 80.7 | Confident | 76.9 | Confident | 73 Ų | 73 | 85.4 Ų | 85.4 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.3 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T525 H530 K531 | T525-A527 PolarHBondContact O-N 3.06Å; T525-A527 VanDerWaalsContact O-N 3.13Å; A527-H530 PolarHBondContact O-N 3.05Å; A527-K531 WeakPolarHBondContact O-CB 3.4Å; A527-K531 PolarHBondContact O-N 3.38Å |
| 528 | E | 79.4 | Confident | 76.6 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 177.7 | -72.9 | 168.3 | 142 | 0 | 0 | 111.9 | L524 T525 H530 K531 L532 | L524-E528 HydrophobicContact CD2-CB 3.86Å; T525-E528 PolarHBondContact N-OE2 3.05Å; T525-E528 PolarHBondContact O-N 3.27Å; T525-E528 VanDerWaalsContact O-N 3.08Å; T525-E528 WeakPolarHBondContact OG1-CB 3.4Å; T525-E528 VanDerWaalsContact OG1-CD 3.27Å; T525-E528 WeakPolarHBondContact OG1-CG 3.34Å; T525-E528 PolarHBondContact OG1-N 2.9Å; T525-E528 PolarHBondContact OG1-OE2 3.23Å; E528-H530 VanDerWaalsContact C-N 3.33Å; E528-H530 PolarHBondContact O-N 2.88Å; E528-K531 PolarHBondContact O-N 3.44Å; E528-L532 WeakPolarHBondContact O-CB 3.28Å; E528-L532 PolarHBondContact O-N 3.21Å |
| 529 | S | 76.4 | Confident | 76 | Confident | 47 Ų | 47 | 89.1 Ų | 89.1 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.8 | 70.8 | 0 | 0 | 0 | 0 | 111.4 | T525 P526 T533 | T525-S529 PolarHBondContact O-N 3.37Å; P526-S529 PolarHBondContact O-OG 2.89Å; S529-T533 VanDerWaalsContact O-CB 3.3Å; S529-T533 WeakPolarHBondContact O-CB 3.32Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 3.37Å |
| 530 | H | 78.3 | Confident | 74.9 | Confident | 118 Ų | 118 | 88.7 Ų | 88.7 | 55% | 0.546 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 174.6 | -170.8 | -86.7 | 0 | 0 | 0 | 111.8 | P526 A527 E528 L532 T533 Q534 | P526-H530 WeakPolarHBondContact O-CB 3.46Å; P526-H530 PolarHBondContact O-N 3.32Å; P526-H530 VanDerWaalsContact O-N 3.12Å; A527-H530 PolarHBondContact O-N 3.05Å; E528-H530 VanDerWaalsContact C-N 3.33Å; E528-H530 PolarHBondContact O-N 2.88Å; H530-L532 VanDerWaalsContact C-N 3.32Å; H530-L532 PolarHBondContact O-N 3.29Å; H530-T533 PolarHBondContact O-N 2.85Å; H530-Q534 WeakPolarHBondContact O-CB 3.43Å; H530-Q534 PolarHBondContact O-N 3.05Å |
| 531 | K | 81.7 | Confident | 73.9 | Confident | 158 Ų | 158 | 88.7 Ų | 88.7 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 178.1 | -172.8 | 176.3 | -177.1 | 175.8 | 0 | 112 | A527 E528 R535 | A527-K531 WeakPolarHBondContact O-CB 3.4Å; A527-K531 PolarHBondContact O-N 3.38Å; E528-K531 PolarHBondContact O-N 3.44Å; K531-R535 WeakPolarHBondContact O-CB 3.39Å; K531-R535 PolarHBondContact O-N 2.79Å |
| 532 | L | 77.2 | Confident | 72.9 | Confident | 41 Ų | 41 | 91.3 Ų | 91.3 | 22% | 0.215 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 178.6 | -148.7 | 85.7 | 0 | 0 | 0 | 111.1 | I486 E528 H530 R535 F536 | I486-L532 HydrophobicContact CB-CD2 3.82Å; I486-L532 HydrophobicContact CD1-CD2 4.1Å; I486-L532 HydrophobicContact CG1-CD2 3.54Å; I486-L532 HydrophobicContact CG1-CG 4.24Å; I486-L532 HydrophobicContact CG2-CD2 3.36Å; E528-L532 WeakPolarHBondContact O-CB 3.28Å; E528-L532 PolarHBondContact O-N 3.21Å; H530-L532 VanDerWaalsContact C-N 3.32Å; H530-L532 PolarHBondContact O-N 3.29Å; L532-R535 PolarHBondContact O-N 3Å; L532-F536 HydrophobicContact CD2-CE2 4.23Å; L532-F536 HydrophobicContact CG-CD2 4.33Å; L532-F536 HydrophobicContact CG-CE2 3.95Å; L532-F536 WeakPolarHBondContact O-CD2 3.4Å; L532-F536 PolarHBondContact O-N 3.24Å; L532-F536 VanDerWaalsContact O-N 3.12Å |
| 533 | T | 77.5 | Confident | 71.6 | Confident | 34 Ų | 34 | 92.1 Ų | 92.1 | 21% | 0.209 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 177.6 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | S529 H530 R535 F536 R537 | S529-T533 VanDerWaalsContact O-CB 3.3Å; S529-T533 WeakPolarHBondContact O-CB 3.32Å; S529-T533 PolarHBondContact O-N 2.91Å; S529-T533 PolarHBondContact O-OG1 3.37Å; H530-T533 PolarHBondContact O-N 2.85Å; T533-R535 PolarHBondContact O-N 3.27Å; T533-F536 PolarHBondContact O-N 3.26Å; T533-R537 HydrophobicContact CG2-CG 4.47Å; T533-R537 WeakPolarHBondContact O-CG 3.45Å; T533-R537 PolarHBondContact O-N 2.71Å |
| 534 | Q | 77 | Confident | 69.7 | Low | 100 Ų | 100 | 92.7 Ų | 92.7 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 177.3 | -167.2 | -179.9 | 12.2 | 0 | 0 | 111.2 | H530 F536 R537 N538 | H530-Q534 WeakPolarHBondContact O-CB 3.43Å; H530-Q534 PolarHBondContact O-N 3.05Å; Q534-F536 VanDerWaalsContact C-N 3.33Å; Q534-F536 PolarHBondContact O-N 3.32Å; Q534-R537 PolarHBondContact O-N 3.5Å; Q534-N538 WeakPolarHBondContact O-CB 3.17Å; Q534-N538 PolarHBondContact O-N 2.88Å; Q534-N538 PolarHBondContact O-OD1 3.46Å |
| 535 | R | 76.1 | Confident | 67.9 | Low | 162 Ų | 162 | 95.4 Ų | 95.4 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 175.1 | -171.6 | 178.9 | -175.9 | 172.1 | 5.5 | 112.2 | K531 L532 T533 I539 | K531-R535 WeakPolarHBondContact O-CB 3.39Å; K531-R535 PolarHBondContact O-N 2.79Å; L532-R535 PolarHBondContact O-N 3Å; T533-R535 PolarHBondContact O-N 3.27Å; R535-I539 HydrophobicContact CG-CD1 4.37Å; R535-I539 WeakPolarHBondContact O-CD1 3.18Å; R535-I539 VanDerWaalsContact O-CG1 3.28Å; R535-I539 WeakPolarHBondContact O-CG1 3.4Å; R535-I539 PolarHBondContact O-N 3.34Å |
| 536 | F | 70.5 | Confident | 65.8 | Low | 22 Ų | 22 | 102.2 Ų | 102.2 | 10% | 0.096 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -75.9 | -31.8 | 179.2 | -74.8 | -63.5 | 0 | 0 | 0 | 113.6 | V482 R485 I486 R489 L532 T533 Q534 S540 | V482-F536 HydrophobicContact CG1-CB 3.96Å; R485-F536 HydrophobicContact CB-CD1 4.07Å; R485-F536 HydrophobicContact CB-CE1 3.86Å; R485-F536 HydrophobicContact CB-CZ 4.1Å; I486-F536 HydrophobicContact CB-CE2 4.48Å; I486-F536 HydrophobicContact CD1-CD2 4.31Å; I486-F536 HydrophobicContact CG1-CD2 3.56Å; I486-F536 HydrophobicContact CG1-CE2 3.61Å; R489-F536 HydrophobicContact CG-CZ 3.93Å; L532-F536 HydrophobicContact CD2-CE2 4.23Å; L532-F536 HydrophobicContact CG-CD2 4.33Å; L532-F536 HydrophobicContact CG-CE2 3.95Å; L532-F536 WeakPolarHBondContact O-CD2 3.4Å; L532-F536 PolarHBondContact O-N 3.24Å; L532-F536 VanDerWaalsContact O-N 3.12Å; T533-F536 PolarHBondContact O-N 3.26Å; Q534-F536 VanDerWaalsContact C-N 3.33Å; Q534-F536 PolarHBondContact O-N 3.32Å; F536-S540 PolarHBondContact O-N 3.45Å; F536-S540 PolarHBondContact O-OG 2.9Å |
| 537 | R | 72.6 | Confident | 64.3 | Low | 165 Ų | 165 | 101 Ų | 101 | 62% | 0.623 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.3 | -42.6 | 172.4 | -76 | -177.9 | 179.7 | 162.5 | 0.4 | 111.7 | T533 Q534 I539 S540 S541 | T533-R537 HydrophobicContact CG2-CG 4.47Å; T533-R537 WeakPolarHBondContact O-CG 3.45Å; T533-R537 PolarHBondContact O-N 2.71Å; Q534-R537 PolarHBondContact O-N 3.5Å; R537-I539 PolarHBondContact O-N 2.71Å; R537-S540 WeakPolarHBondContact O-CB 3.42Å; R537-S540 PolarHBondContact O-N 2.76Å; R537-S540 VanDerWaalsContact O-N 3.12Å; R537-S541 PolarHBondContact O-N 3.02Å |
| 538 | N | 68.1 | Low | 62.4 | Low | 87 Ų | 87 | 103.8 Ų | 103.8 | 47% | 0.465 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 178.1 | -68.8 | 0.8 | 0 | 0 | 0 | 112.3 | Q534 S540 S541 V542 | Q534-N538 WeakPolarHBondContact O-CB 3.17Å; Q534-N538 PolarHBondContact O-N 2.88Å; Q534-N538 PolarHBondContact O-OD1 3.46Å; N538-S540 VanDerWaalsContact C-N 3.3Å; N538-S540 PolarHBondContact O-N 3.02Å; N538-S541 WeakPolarHBondContact CA-OG 3.05Å; N538-S541 PolarHBondContact O-N 3.34Å; N538-S541 PolarHBondContact O-OG 2.97Å; N538-V542 PolarHBondContact O-N 3.43Å |
| 539 | I | 62.6 | Low | 60.9 | Low | 81 Ų | 81 | 102.4 Ų | 102.4 | 42% | 0.415 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 173.1 | -68.6 | 164.9 | 0 | 0 | 0 | 111 | R535 R537 | R535-I539 HydrophobicContact CG-CD1 4.37Å; R535-I539 WeakPolarHBondContact O-CD1 3.18Å; R535-I539 VanDerWaalsContact O-CG1 3.28Å; R535-I539 WeakPolarHBondContact O-CG1 3.4Å; R535-I539 PolarHBondContact O-N 3.34Å; R537-I539 PolarHBondContact O-N 2.71Å |
| 540 | S | 55.2 | Low | 59.6 | Low | 55 Ų | 55 | 104.3 Ų | 104.3 | 39% | 0.385 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.2 | -27.6 | 175.5 | -70.9 | 0 | 0 | 0 | 0 | 113.2 | F536 R537 N538 N543 | F536-S540 PolarHBondContact O-N 3.45Å; F536-S540 PolarHBondContact O-OG 2.9Å; R537-S540 WeakPolarHBondContact O-CB 3.42Å; R537-S540 PolarHBondContact O-N 2.76Å; R537-S540 VanDerWaalsContact O-N 3.12Å; N538-S540 VanDerWaalsContact C-N 3.3Å; N538-S540 PolarHBondContact O-N 3.02Å; S540-N543 PolarHBondContact O-N 3.42Å |
| 541 | S | 54.1 | Low | 58.4 | Low | 65 Ų | 65 | 102.1 Ų | 102.1 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.6 | -29.7 | 177.8 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | R537 N538 N543 | R537-S541 PolarHBondContact O-N 3.02Å; N538-S541 WeakPolarHBondContact CA-OG 3.05Å; N538-S541 PolarHBondContact O-N 3.34Å; N538-S541 PolarHBondContact O-OG 2.97Å; S541-N543 PolarHBondContact O-N 3.06Å |
| 542 | V | 52.3 | Low | 56.8 | Low | 121 Ų | 121 | 100.7 Ų | 100.7 | 73% | 0.733 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.2 | -27.1 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | N538 | N538-V542 PolarHBondContact O-N 3.43Å |
| 543 | N | 47.1 | Very low | 55.4 | Low | 123 Ų | 123 | 105.5 Ų | 105.5 | 66% | 0.658 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 34.4 | -178.1 | -73.2 | -10 | 0 | 0 | 0 | 113.6 | S540 S541 C545 | S540-N543 PolarHBondContact O-N 3.42Å; S541-N543 PolarHBondContact O-N 3.06Å; N543-C545 PolarHBondContact O-N 2.82Å |
| 544 | K | 39 | Very low | 54.4 | Low | 177 Ų | 177 | 106.3 Ų | 106.3 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | trans | -66 | 75.3 | 170.5 | -82.7 | -172.5 | 177.9 | -179.8 | 0 | 110.7 | K546 | K544-K546 PolarHBondContact O-N 3.2Š| ||
| 545 | C | 39.6 | Very low | 53.4 | Low | 96 Ų | 96 | 105.5 Ų | 105.5 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | trans | -70 | 117.4 | 156.5 | -170.6 | 0 | 0 | 0 | 0 | 106.7 | N543 S547 | N543-C545 PolarHBondContact O-N 2.82Å; C545-S547 PolarHBondContact O-N 2.89Å | ||
| 546 | K | 38.3 | Very low | 52.4 | Low | 212 Ų | 212 | 100.8 Ų | 100.8 | 92% | 0.922 | 57% | 0.565 | S | S | * | * | trans | -73.8 | 57.4 | -178.2 | -64.9 | 179.4 | 178.7 | 177.3 | 0 | 111.8 | K544 | K544-K546 PolarHBondContact O-N 3.2Š| ||
| 547 | S | 46.9 | Very low | 52 | Low | 84 Ų | 84 | 102.3 Ų | 102.3 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | trans | -111.7 | 130.4 | 164.7 | 55.7 | 0 | 0 | 0 | 0 | 109.3 | C545 G549 | C545-S547 PolarHBondContact O-N 2.89Å; S547-G549 PolarHBondContact O-N 3.49Å | ||
| 548 | P | 41 | Very low | 51.5 | Low | 133 Ų | 133 | 101.7 Ų | 101.7 | 86% | 0.864 | 58% | 0.576 | S | S | * | * | trans | -73.5 | 82.3 | 179.5 | 29.5 | -31.9 | 0 | 0 | 0 | 109.2 | V550 | P548-V550 PolarHBondContact O-N 3.32Š| ||
| 549 | G | 46.9 | Very low | 50.9 | Low | 70 Ų | 70 | 103.5 Ų | 103.5 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -69 | 119.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | S547 S551 | S547-G549 PolarHBondContact O-N 3.49Å; G549-S551 PolarHBondContact O-N 3.4Å |
| 550 | V | 49.6 | Very low | 50.5 | Low | 87 Ų | 87 | 105.5 Ų | 105.5 | 53% | 0.527 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 123.9 | 168.5 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | P548 L552 L555 | P548-V550 PolarHBondContact O-N 3.32Å; V550-L552 PolarHBondContact O-N 2.96Å; V550-L555 HydrophobicContact CG1-CD1 4.29Å; V550-L555 HydrophobicContact CG1-CG 4.36Å |
| 551 | S | 54.1 | Low | 50 | Low | 72 Ų | 72 | 112.1 Ų | 112.1 | 50% | 0.503 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 132.3 | 175.3 | 107 | 0 | 0 | 0 | 0 | 109.5 | G549 H553 S554 L555 | G549-S551 PolarHBondContact O-N 3.4Å; S551-H553 PolarHBondContact O-N 3.37Å; S551-H553 VanDerWaalsContact O-N 3.13Å; S551-S554 WeakPolarHBondContact O-CA 3.37Å; S551-S554 WeakPolarHBondContact O-CB 3.27Å; S551-S554 PolarHBondContact O-N 2.83Å; S551-S554 PolarHBondContact OG-N 3.44Å; S551-L555 PolarHBondContact O-N 3.16Å |
| 552 | L | 46.4 | Very low | 49.4 | Very low | 128 Ų | 128 | 114.4 Ų | 114.4 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -55.8 | -33.2 | -178.9 | -170.4 | 147.9 | 0 | 0 | 0 | 111.5 | V550 L555 V556 | V550-L552 PolarHBondContact O-N 2.96Å; L552-L555 WeakPolarHBondContact O-CA 3.26Å; L552-L555 VanDerWaalsContact O-CB 3.32Å; L552-L555 WeakPolarHBondContact O-CB 3.45Å; L552-L555 PolarHBondContact O-N 3.47Å; L552-L555 VanDerWaalsContact O-N 3.12Å; L552-V556 HydrophobicContact CD2-CG2 3.65Å; L552-V556 VanDerWaalsContact O-CG2 3.32Å; L552-V556 WeakPolarHBondContact O-CG2 3.36Å; L552-V556 PolarHBondContact O-N 3.12Å |
| 553 | H | 47.9 | Very low | 48.5 | Very low | 141 Ų | 141 | 118.7 Ų | 118.7 | 65% | 0.653 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.4 | -42.5 | 173.1 | -173.2 | -75.9 | 0 | 0 | 0 | 112.4 | S551 L555 V556 S557 | S551-H553 PolarHBondContact O-N 3.37Å; S551-H553 VanDerWaalsContact O-N 3.13Å; H553-L555 PolarHBondContact O-N 2.76Å; H553-V556 PolarHBondContact O-N 3.5Å; H553-S557 PolarHBondContact CE1-OG 3.02Å; H553-S557 PolarHBondContact ND1-OG 3.18Å; H553-S557 WeakPolarHBondContact O-CB 3.3Å; H553-S557 PolarHBondContact O-N 3.44Å; H553-S557 PolarHBondContact O-OG 3.37Å |
| 554 | S | 56.8 | Low | 47.5 | Very low | 51 Ų | 51 | 118.7 Ų | 118.7 | 36% | 0.357 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.8 | -31 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | S551 R558 | S551-S554 WeakPolarHBondContact O-CA 3.37Å; S551-S554 WeakPolarHBondContact O-CB 3.27Å; S551-S554 PolarHBondContact O-N 2.83Å; S551-S554 PolarHBondContact OG-N 3.44Å; S554-R558 WeakPolarHBondContact O-CB 3.43Å; S554-R558 VanDerWaalsContact O-CG 3.29Å; S554-R558 WeakPolarHBondContact O-CG 3.31Å; S554-R558 PolarHBondContact O-N 3.17Å; S554-R558 PolarHBondContact O-NE 3.2Å; S554-R558 PolarHBondContact OG-NH2 3.2Å |
| 555 | L | 56.1 | Low | 47.1 | Very low | 84 Ų | 84 | 121.9 Ų | 121.9 | 44% | 0.44 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -72.4 | -47.3 | 175 | -126.6 | 162.5 | 0 | 0 | 0 | 110.9 | V550 S551 L552 H553 R558 L559 | V550-L555 HydrophobicContact CG1-CD1 4.29Å; V550-L555 HydrophobicContact CG1-CG 4.36Å; S551-L555 PolarHBondContact O-N 3.16Å; L552-L555 WeakPolarHBondContact O-CA 3.26Å; L552-L555 VanDerWaalsContact O-CB 3.32Å; L552-L555 WeakPolarHBondContact O-CB 3.45Å; L552-L555 PolarHBondContact O-N 3.47Å; L552-L555 VanDerWaalsContact O-N 3.12Å; H553-L555 PolarHBondContact O-N 2.76Å; L555-R558 PolarHBondContact O-N 3.13Å; L555-L559 HydrophobicContact CD2-CD1 4.05Å; L555-L559 HydrophobicContact CD2-CG 4.47Å; L555-L559 WeakPolarHBondContact O-CG 3.47Å; L555-L559 PolarHBondContact O-N 3.08Å |
| 556 | V | 55.9 | Low | 46.7 | Very low | 62 Ų | 62 | 122.2 Ų | 122.2 | 38% | 0.376 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -64.6 | -42.6 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | L552 H553 R558 L559 H560 | L552-V556 HydrophobicContact CD2-CG2 3.65Å; L552-V556 VanDerWaalsContact O-CG2 3.32Å; L552-V556 WeakPolarHBondContact O-CG2 3.36Å; L552-V556 PolarHBondContact O-N 3.12Å; H553-V556 PolarHBondContact O-N 3.5Å; V556-R558 VanDerWaalsContact C-N 3.28Å; V556-R558 PolarHBondContact O-N 2.98Å; V556-L559 PolarHBondContact O-N 3.03Å; V556-H560 PolarHBondContact O-CD2 3Å; V556-H560 PolarHBondContact O-N 3.33Å |
| 557 | S | 62.4 | Low | 46.3 | Very low | 55 Ų | 55 | 117.5 Ų | 117.5 | 39% | 0.385 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -67.2 | -27.1 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | H553 H560 | H553-S557 PolarHBondContact CE1-OG 3.02Å; H553-S557 PolarHBondContact ND1-OG 3.18Å; H553-S557 WeakPolarHBondContact O-CB 3.3Å; H553-S557 PolarHBondContact O-N 3.44Å; H553-S557 PolarHBondContact O-OG 3.37Å; S557-H560 CarbonylContact O-C 3.36Å; S557-H560 VanDerWaalsContact O-O 3.09Å |
| 558 | R | 61.6 | Low | 45.2 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.1 | -35.5 | 172 | -82.8 | -175.8 | -76.5 | 178.2 | -7.4 | 112.3 | S554 L555 V556 | S554-R558 WeakPolarHBondContact O-CB 3.43Å; S554-R558 VanDerWaalsContact O-CG 3.29Å; S554-R558 WeakPolarHBondContact O-CG 3.31Å; S554-R558 PolarHBondContact O-N 3.17Å; S554-R558 PolarHBondContact O-NE 3.2Å; S554-R558 PolarHBondContact OG-NH2 3.2Å; L555-R558 PolarHBondContact O-N 3.13Å; V556-R558 VanDerWaalsContact C-N 3.28Å; V556-R558 PolarHBondContact O-N 2.98Å |
| 559 | L | 54.9 | Low | 44.6 | Very low | 125 Ų | 125 | 117.4 Ų | 117.4 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.7 | -33.9 | 176.2 | -69.7 | 167.6 | 0 | 0 | 0 | 112 | L555 V556 | L555-L559 HydrophobicContact CD2-CD1 4.05Å; L555-L559 HydrophobicContact CD2-CG 4.47Å; L555-L559 WeakPolarHBondContact O-CG 3.47Å; L555-L559 PolarHBondContact O-N 3.08Å; V556-L559 PolarHBondContact O-N 3.03Å |
| 560 | H | 54.5 | Low | 43.6 | Very low | 123 Ų | 123 | 120.8 Ų | 120.8 | 57% | 0.569 | 65% | 0.654 | S | S | * | * | trans | -114.9 | 83.5 | 177.4 | -60.7 | -77.6 | 0 | 0 | 0 | 109.7 | V556 S557 T562 | V556-H560 PolarHBondContact O-CD2 3Å; V556-H560 PolarHBondContact O-N 3.33Å; S557-H560 CarbonylContact O-C 3.36Å; S557-H560 VanDerWaalsContact O-O 3.09Å; H560-T562 PolarHBondContact O-N 2.97Å | ||
| 561 | K | 44.1 | Very low | 42.2 | Very low | 194 Ų | 194 | 125.1 Ų | 125.1 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | trans | -66.4 | 79 | 163.7 | -72.7 | -176.4 | -179 | 177.8 | 0 | 108.7 | K563 | K561-K563 PolarHBondContact O-N 3.18Å; K561-K563 VanDerWaalsContact O-N 3.16Å | ||
| 562 | T | 41.3 | Very low | 40.9 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | trans | -67.6 | 113.2 | 167.8 | 47.9 | 0 | 0 | 0 | 0 | 107.4 | H560 C564 | H560-T562 PolarHBondContact O-N 2.97Å; T562-C564 PolarHBondContact O-N 3.36Å | ||
| 563 | K | 33.9 | Very low | 39.7 | Very low | 211 Ų | 211 | 128.5 Ų | 128.5 | 92% | 0.917 | 69% | 0.691 | S | S | * | * | trans | -53.8 | 96.7 | 173.2 | -117.1 | 176.7 | 178 | 176.8 | 0 | 108.6 | K561 R565 | K561-K563 PolarHBondContact O-N 3.18Å; K561-K563 VanDerWaalsContact O-N 3.16Å; K563-R565 VanDerWaalsContact C-N 3.35Å; K563-R565 PolarHBondContact O-N 3.28Å | ||
| 564 | C | 25.7 | Very low | 38.5 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 83% | 0.831 | 70% | 0.702 | S | S | * | * | trans | -70.8 | 97.6 | 164.1 | -72 | 0 | 0 | 0 | 0 | 107 | T562 S566 | T562-C564 PolarHBondContact O-N 3.36Å; C564-S566 PolarHBondContact O-N 2.92Å | ||
| 565 | R | 31.8 | Very low | 36.7 | Very low | 243 Ų | 243 | 135.1 Ų | 135.1 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -66 | 117.8 | 167.7 | -172.7 | 172.1 | 178 | -175.4 | -1.8 | 107 | K563 S567 | K563-R565 VanDerWaalsContact C-N 3.35Å; K563-R565 PolarHBondContact O-N 3.28Å; R565-S567 PolarHBondContact O-N 2.92Å | ||
| 566 | S | 30.7 | Very low | 35.2 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | -59.3 | 115.1 | 175.3 | -161.4 | 0 | 0 | 0 | 0 | 109 | C564 N568 | C564-S566 PolarHBondContact O-N 2.92Å; S566-N568 PolarHBondContact O-N 3.43Å | ||
| 567 | S | 29.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -87.2 | 96.2 | 173.5 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | R565 | R565-S567 PolarHBondContact O-N 2.92Š| ||
| 568 | N | 25.1 | Very low | 31.9 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -81.7 | 128.6 | 154.2 | -74.8 | -8.7 | 0 | 0 | 0 | 107.4 | S566 | S566-N568 PolarHBondContact O-N 3.43Š| ||
| 569 | G | 26.9 | Very low | 30 | Very low | 62 Ų | 62 | 144.8 Ų | 144.8 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | 116 | 95.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 570 | V | 27.4 | Very low | 28.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | 62.6 | 123.1 | 127.7 | -173.1 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 571 | E | 20.2 | Very low | 26.7 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -46.9 | 135.8 | 163.6 | -62.6 | 169.5 | 142.7 | 0 | 0 | 113.7 | ||||
| 572 | T | 26.2 | Very low | 25.8 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -162.6 | 121.7 | 134.2 | 12.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 573 | V | 20.7 | Very low | 24.9 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -71.7 | 124.4 | 171.4 | 171.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 574 | F | 22.2 | Very low | 24.3 | Very low | 202 Ų | 202 | 143.2 Ų | 143.2 | 89% | 0.886 | 82% | 0.817 | S | S | * | * | trans | -153.7 | 127.1 | 142.1 | -105.5 | -75.1 | 0 | 0 | 0 | 110.8 | ||||
| 575 | T | 19.6 | Very low | 24.2 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | trans | -69.6 | 133.1 | 172.3 | 43 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 576 | G | 24.1 | Very low | 24.6 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -167.6 | 122.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 577 | E | 22.4 | Very low | 24.2 | Very low | 197 Ų | 197 | 145 Ų | 145 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -62.9 | 170.6 | -170.8 | -96.2 | -175.6 | 151.2 | 0 | 0 | 117.4 | ||||
| 578 | P | 26.6 | Very low | 23.9 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -94.3 | 138.7 | -162.1 | 36.2 | -31.1 | 0 | 0 | 0 | 113.5 | ||||
| 579 | L | 23.7 | Very low | 24 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | -131.1 | 107.1 | 163.9 | -81.5 | 170.1 | 0 | 0 | 0 | 111 | ||||
| 580 | S | 21.6 | Very low | 23.8 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 83% | 0.826 | S | S | * | * | trans | 44.3 | 109.7 | 132.2 | 59.1 | 0 | 0 | 0 | 0 | 120.2 | T582 | S580-T582 PolarHBondContact O-N 3.42Š| ||
| 581 | M | 18.6 | Very low | 23.9 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 94% | 0.941 | 82% | 0.82 | S | S | * | * | 22.9 | 94.1 | 122.1 | -64.4 | -76 | -95.8 | 0 | 0 | 116.4 | |||||
| 582 | T | 24.2 | Very low | 24.2 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -115.6 | 116.4 | 150.5 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | S580 E584 | S580-T582 PolarHBondContact O-N 3.42Å; T582-E584 PolarHBondContact O-N 3.37Å | ||
| 583 | T | 21.8 | Very low | 24.5 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -64 | 111.6 | 163.1 | 31.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 584 | E | 22.5 | Very low | 24.9 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -116.8 | 117.6 | 158.8 | -71.8 | -164.6 | 168.5 | 0 | 0 | 109.9 | T582 | T582-E584 PolarHBondContact O-N 3.37Š| ||
| 585 | N | 23.4 | Very low | 25.2 | Very low | 162 Ų | 162 | 142 Ų | 142 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -87.4 | 169.4 | 170.7 | -110 | -13.3 | 0 | 0 | 0 | 109.7 | ||||
| 586 | P | 39.8 | Very low | 25.6 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | -100.7 | 156.7 | -127.8 | 37.2 | -36.3 | 0 | 0 | 0 | 114.7 | |||||
| 587 | R | 21.8 | Very low | 25.9 | Very low | 246 Ų | 246 | 146.3 Ų | 146.3 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -122.7 | 123.3 | 153.8 | -73.9 | -169.3 | -170.2 | 169.3 | 5.1 | 110.5 | ||||
| 588 | Y | 24 | Very low | 26.2 | Very low | 228 Ų | 228 | 140.1 Ų | 140.1 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -53.4 | 131.7 | 165.7 | -83.9 | -103.9 | 0 | 0 | 0 | 110.9 | ||||
| 589 | A | 25.9 | Very low | 26.3 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -135.6 | 105.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107 | S591 | A589-S591 PolarHBondContact O-N 2.86Š| ||
| 590 | S | 24.1 | Very low | 26.7 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 116.4 | 165.8 | 46 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 591 | S | 29.3 | Very low | 26.7 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -113.4 | 100.3 | 155.5 | 63.5 | 0 | 0 | 0 | 0 | 107.2 | A589 T593 | A589-S591 PolarHBondContact O-N 2.86Å; S591-T593 PolarHBondContact O-N 3.29Å | ||
| 592 | D | 26.7 | Very low | 27 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -53.1 | 121.3 | 161.1 | -72.3 | -49.2 | 0 | 0 | 0 | 108.8 | ||||
| 593 | T | 31.7 | Very low | 27 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -139.2 | 82.9 | 153.4 | -14.5 | 0 | 0 | 0 | 0 | 105.7 | S591 L595 | S591-T593 PolarHBondContact O-N 3.29Å; T593-L595 PolarHBondContact O-N 3.46Å; T593-L595 VanDerWaalsContact O-N 3.16Å | ||
| 594 | A | 28 | Very low | 27.1 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -51.8 | 116.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | D596 | A594-D596 PolarHBondContact O-N 2.98Š| ||
| 595 | L | 30.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | -77.3 | 92 | 177.1 | -136.3 | 82.4 | 0 | 0 | 0 | 107 | T593 L597 | T593-L595 PolarHBondContact O-N 3.46Å; T593-L595 VanDerWaalsContact O-N 3.16Å; L595-L597 HydrophobicContact CD2-CD1 4.35Å; L595-L597 PolarHBondContact O-N 3.26Å | ||
| 596 | D | 26.8 | Very low | 27.1 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -68.2 | 99.2 | 175.9 | -160.3 | 12.2 | 0 | 0 | 0 | 109.3 | A594 A598 | A594-D596 PolarHBondContact O-N 2.98Å; D596-A598 VanDerWaalsContact C-N 3.31Å | ||
| 597 | L | 30 | Very low | 26.2 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -98.8 | 57.1 | 172.2 | -91.6 | 150.3 | 0 | 0 | 0 | 108.5 | L595 V599 | L595-L597 HydrophobicContact CD2-CD1 4.35Å; L595-L597 PolarHBondContact O-N 3.26Å; L597-V599 PolarHBondContact O-N 3.45Å | ||
| 598 | A | 30.1 | Very low | 26.2 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 55% | 0.554 | 77% | 0.773 | S | S | * | * | trans | -79.4 | 116.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D596 N600 | D596-A598 VanDerWaalsContact C-N 3.31Å; A598-N600 PolarHBondContact O-N 3.45Å | ||
| 599 | V | 27.7 | Very low | 26.1 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -47.4 | 112 | 165.2 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | L597 | L597-V599 PolarHBondContact O-N 3.45Š| ||
| 600 | N | 31.4 | Very low | 25.9 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -143.9 | 95.5 | 156.8 | -88.4 | -29.8 | 0 | 0 | 0 | 108.9 | A598 | A598-N600 PolarHBondContact O-N 3.45Š| ||
| 601 | G | 23 | Very low | 25.8 | Very low | 78 Ų | 78 | 121.2 Ų | 121.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -80.8 | 119 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 602 | S | 24.4 | Very low | 25.4 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -176.3 | 123.6 | 135.5 | -147.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 603 | V | 25 | Very low | 25.1 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | 64.2 | 95.6 | 136 | -179.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 604 | T | 22 | Very low | 24.8 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 42.2 | 142.3 | 127.4 | 59.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 605 | T | 23.2 | Very low | 24.5 | Very low | 125 Ų | 125 | 124 Ų | 124 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | 93.2 | 110.5 | 148.5 | 49.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 606 | C | 22.7 | Very low | 23.9 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 78.4 | 104.6 | 130.3 | -52.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 607 | D | 21.7 | Very low | 23.7 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | 55.7 | 110.9 | 120.6 | -75.7 | -12.8 | 0 | 0 | 0 | 120.7 | |||||
| 608 | S | 22.1 | Very low | 23.8 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 60 | 113.4 | 130.4 | 60.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 609 | G | 22.2 | Very low | 23.3 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 177.4 | 80.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 610 | S | 20.3 | Very low | 23 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -46 | 134.6 | 161.1 | 167.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 611 | L | 23.9 | Very low | 22.4 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | trans | -178.3 | 101.7 | 149.2 | -93.9 | 149.5 | 0 | 0 | 0 | 107.4 | ||||
| 612 | K | 21 | Very low | 22.4 | Very low | 190 Ų | 190 | 126.7 Ų | 126.7 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | 75.9 | 122.7 | 98.9 | -85.7 | -167 | 177.1 | 179.2 | 0 | 114.9 | |||||
| 613 | D | 19.8 | Very low | 22.2 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -37.9 | 152.6 | 167 | -69.1 | -57 | 0 | 0 | 0 | 115 | ||||
| 614 | P | 24.7 | Very low | 22 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -133.7 | 119.7 | 120.3 | 32.3 | -18.4 | 0 | 0 | 0 | 113.2 | |||||
| 615 | G | 21.3 | Very low | 21.9 | Very low | 56 Ų | 56 | 130.7 Ų | 130.7 | 58% | 0.577 | 77% | 0.772 | S | S | * | * | 36.9 | 110.8 | 122.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 616 | S | 18.8 | Very low | 21.8 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | 66.6 | 137.7 | 107.5 | 59.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 617 | M | 22.9 | Very low | 21.9 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | 110.7 | 149.3 | 148.5 | -75.2 | -54.6 | 161.3 | 0 | 0 | 118.5 | ||||
| 618 | P | 32.7 | Very low | 21.7 | Very low | 92 Ų | 92 | 130 Ų | 130 | 60% | 0.597 | 78% | 0.775 | S | S | * | * | -135.5 | -171.8 | -120.2 | 44.8 | -27.4 | 0 | 0 | 0 | 115.4 | |||||
| 619 | N | 19.2 | Very low | 21.9 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | trans | 77.9 | 140.4 | 144.1 | -78.2 | -3.7 | 0 | 0 | 0 | 123.2 | ||||
| 620 | S | 20.2 | Very low | 21.8 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | 81 | 109.9 | 139.7 | 51.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 621 | D | 19.8 | Very low | 21.9 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | 77.1 | 151.2 | 115.1 | -58.9 | -34.7 | 0 | 0 | 0 | 122.6 | |||||
| 622 | E | 22.1 | Very low | 21.9 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 87.1 | 147.6 | 160.5 | -56.5 | -166.3 | 159.1 | 0 | 0 | 117.4 | ||||
| 623 | H | 20.8 | Very low | 21.9 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | cis | 176.3 | 156.3 | -32.3 | -123.5 | -65.7 | 0 | 0 | 0 | 104.2 | ||||
| 624 | S | 21.6 | Very low | 22.3 | Very low | 102 Ų | 102 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 71.7 | 157.3 | 157.5 | 79.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 625 | D | 19.6 | Very low | 22.1 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | -175.7 | 158.3 | -26.2 | -103.6 | -43.3 | 0 | 0 | 0 | 105.1 | ||||
| 626 | A | 21.2 | Very low | 22.5 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | trans | 57.4 | 120.1 | 152 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 627 | D | 24.4 | Very low | 22.7 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | -170.5 | 150.6 | 102.2 | -104.9 | -25 | 0 | 0 | 0 | 114 | |||||
| 628 | C | 17 | Very low | 22.7 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -113 | 132 | -169.3 | 178.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 629 | I | 26.3 | Very low | 22.3 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -141.8 | 131 | 157.5 | -62.9 | -174.5 | 0 | 0 | 0 | 110.7 | ||||
| 630 | S | 20.4 | Very low | 22.5 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 57% | 0.566 | 78% | 0.78 | S | S | * | * | trans | -91.9 | 166.8 | -177.1 | 79.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 631 | N | 22 | Very low | 22.8 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 95.1 | 120.7 | 138.5 | -86.2 | -25.2 | 0 | 0 | 0 | 122.5 | ||||
| 632 | K | 23.4 | Very low | 23.1 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 88 | 109.1 | 134.8 | -71 | 179.4 | 179.9 | -178.7 | 0 | 121.2 | ||||
| 633 | N | 22.3 | Very low | 23.6 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -25.6 | 148.5 | 142.3 | -82.5 | -1.9 | 0 | 0 | 0 | 115.3 | ||||
| 634 | P | 27.4 | Very low | 23.9 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -149.4 | 164.7 | 71.8 | 37.5 | -16.8 | 0 | 0 | 0 | 118.3 | |||||
| 635 | N | 21.4 | Very low | 24.3 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -27.8 | 123.4 | 166.7 | -65.4 | -28.8 | 0 | 0 | 0 | 116.6 | ||||
| 636 | A | 28.9 | Very low | 24.4 | Very low | 102 Ų | 102 | 136 Ų | 136 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -149.5 | 129 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 637 | T | 22.9 | Very low | 24.9 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -84.2 | 129.7 | -174.4 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 638 | I | 22.9 | Very low | 25 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 67% | 0.672 | 78% | 0.779 | S | S | * | * | trans | 46.7 | 123 | 147.6 | -52.5 | 168.7 | 0 | 0 | 0 | 117.6 | ||||
| 639 | P | 24.2 | Very low | 25.4 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | -132.4 | 137.6 | 93.8 | 23.3 | -4 | 0 | 0 | 0 | 114.7 | D641 | P639-D641 PolarHBondContact O-N 2.93Š| |||
| 640 | D | 24 | Very low | 25.5 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -54.7 | 123.9 | 159.8 | -63.9 | -61.5 | 0 | 0 | 0 | 109.8 | ||||
| 641 | D | 27.1 | Very low | 25.8 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -136.4 | 128.9 | 158.2 | -157.9 | 7.3 | 0 | 0 | 0 | 109.6 | P639 S643 | P639-D641 PolarHBondContact O-N 2.93Å; D641-S643 PolarHBondContact O-N 3.5Å | ||
| 642 | D | 25.5 | Very low | 26.3 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -62.7 | 112.9 | -172.9 | -88.8 | -47.5 | 0 | 0 | 0 | 111.1 | N644 | D642-N644 VanDerWaalsContact C-N 3.3Å; D642-N644 PolarHBondContact O-N 3.23Å; D642-N644 VanDerWaalsContact O-N 3.16Å | ||
| 643 | S | 31.8 | Very low | 26.4 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -84.3 | 84.2 | 156.7 | 45.6 | 0 | 0 | 0 | 0 | 109.2 | D641 V645 | D641-S643 PolarHBondContact O-N 3.5Å; S643-V645 PolarHBondContact O-N 2.94Å | ||
| 644 | N | 27 | Very low | 26.7 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -46.9 | 106 | 159.9 | -85.6 | -51.9 | 0 | 0 | 0 | 110.5 | D642 | D642-N644 VanDerWaalsContact C-N 3.3Å; D642-N644 PolarHBondContact O-N 3.23Å; D642-N644 VanDerWaalsContact O-N 3.16Å | ||
| 645 | V | 29.8 | Very low | 26.8 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -97.6 | 87.1 | 155.6 | -178.6 | 0 | 0 | 0 | 0 | 106.7 | S643 V647 | S643-V645 PolarHBondContact O-N 2.94Å; V645-V647 HydrophobicContact CG1-CG2 4.36Å; V645-V647 PolarHBondContact O-N 3.3Å; V645-V647 VanDerWaalsContact O-N 3.15Å | ||
| 646 | E | 23.4 | Very low | 27.2 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 106.7 | 167.1 | -74.5 | -175 | 145.1 | 0 | 0 | 109.4 | ||||
| 647 | V | 30.8 | Very low | 27.4 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -95.5 | 101.9 | 159.4 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | V645 | V645-V647 HydrophobicContact CG1-CG2 4.36Å; V645-V647 PolarHBondContact O-N 3.3Å; V645-V647 VanDerWaalsContact O-N 3.15Å | ||
| 648 | I | 26.3 | Very low | 27.7 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | -55.8 | 133.3 | 177.8 | -66.4 | 169.6 | 0 | 0 | 0 | 110.7 | ||||
| 649 | S | 25.4 | Very low | 28.1 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | trans | -53.7 | 134.1 | 175.8 | -170.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 650 | N | 29.5 | Very low | 28.3 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | trans | -121.9 | 111.3 | 152.6 | -96.3 | -9.2 | 0 | 0 | 0 | 109.3 | H652 | N650-H652 PolarHBondContact O-N 2.91Š| ||
| 651 | N | 25.8 | Very low | 28.6 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -56.7 | 98.6 | 178 | -79.3 | -24.9 | 0 | 0 | 0 | 112.6 | ||||
| 652 | H | 31.9 | Very low | 28.6 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | trans | -141.5 | 97.2 | 154.6 | -84.6 | -47.3 | 0 | 0 | 0 | 110.7 | N650 | N650-H652 PolarHBondContact O-N 2.91Š| ||
| 653 | G | 26.8 | Very low | 28.9 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 57.4 | 65 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | I655 | G653-I655 VanDerWaalsContact C-N 3.26Å; G653-I655 PolarHBondContact O-N 3.5Å | ||
| 654 | C | 27.7 | Very low | 28.7 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -64 | 93.4 | 159 | -92.3 | 0 | 0 | 0 | 0 | 108.7 | N656 | C654-N656 PolarHBondContact O-N 3.36Š| ||
| 655 | I | 30.6 | Very low | 29.1 | Very low | 141 Ų | 141 | 139 Ų | 139 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | trans | -61 | 109.1 | 161.4 | -56.7 | 170 | 0 | 0 | 0 | 104.4 | G653 L657 | G653-I655 VanDerWaalsContact C-N 3.26Å; G653-I655 PolarHBondContact O-N 3.5Å; I655-L657 PolarHBondContact O-N 3.34Å | ||
| 656 | N | 29 | Very low | 29.1 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | trans | -57.3 | 88.7 | 170.1 | -70.5 | -58.8 | 0 | 0 | 0 | 107.3 | C654 G658 | C654-N656 PolarHBondContact O-N 3.36Å; N656-G658 PolarHBondContact O-N 2.88Å | ||
| 657 | L | 32.9 | Very low | 29.7 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | -51.4 | 119.9 | 158.7 | -70 | 169 | 0 | 0 | 0 | 104 | I655 | I655-L657 PolarHBondContact O-N 3.34Š| ||
| 658 | G | 29.2 | Very low | 30.3 | Very low | 28 Ų | 28 | 131.8 Ų | 131.8 | 29% | 0.289 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -45 | 160.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | N656 K660 | N656-G658 PolarHBondContact O-N 2.88Å; G658-K660 PolarHBondContact O-N 3.17Å; G658-K660 VanDerWaalsContact O-N 3.08Å |
| 659 | P | 31.5 | Very low | 31.1 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | trans | -36.7 | 120.1 | -161.8 | -26.6 | 30 | 0 | 0 | 0 | 110.4 | R661 | P659-R661 PolarHBondContact O-N 3.32Š| ||
| 660 | K | 29.3 | Very low | 32.2 | Very low | 203 Ų | 203 | 130.9 Ų | 130.9 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | -55.3 | 77.1 | 164.2 | -86.3 | -179.4 | 173.4 | 176.7 | 0 | 106.3 | G658 R662 | G658-K660 PolarHBondContact O-N 3.17Å; G658-K660 VanDerWaalsContact O-N 3.08Å; K660-R662 PolarHBondContact O-N 3.07Å | ||
| 661 | R | 30 | Very low | 33.1 | Very low | 210 Ų | 210 | 125.7 Ų | 125.7 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | trans | -57.9 | 100.4 | 142.3 | -67.5 | -170.4 | -156.6 | 170.4 | 7.6 | 100.1 | P659 F663 | P659-R661 PolarHBondContact O-N 3.32Å; R661-F663 PolarHBondContact O-N 3.49Å | ||
| 662 | R | 26.2 | Very low | 34.4 | Very low | 210 Ų | 210 | 121.3 Ų | 121.3 | 79% | 0.792 | 68% | 0.677 | S | S | * | * | trans | -43.2 | 103.2 | 151.4 | -147.5 | 177.4 | -173.2 | -174.4 | 4.8 | 101.6 | K660 T664 | K660-R662 PolarHBondContact O-N 3.07Å; R662-T664 HydrophobicContact CB-CG2 4.31Å; R662-T664 HydrophobicContact CG-CG2 3.89Å; R662-T664 PolarHBondContact O-N 3.46Å; R662-T664 PolarHBondContact O-OG1 2.94Å | ||
| 663 | F | 32.9 | Very low | 35.7 | Very low | 190 Ų | 190 | 115.2 Ų | 115.2 | 83% | 0.833 | 66% | 0.655 | S | S | * | * | trans | -66.9 | 66 | 151.9 | -72.5 | -90.9 | 0 | 0 | 0 | 103.1 | R661 V665 | R661-F663 PolarHBondContact O-N 3.49Å; F663-V665 PolarHBondContact O-N 3.26Å | ||
| 664 | T | 26 | Very low | 37.9 | Very low | 90 Ų | 90 | 114.7 Ų | 114.7 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | -54.5 | 94.8 | 123.9 | 52 | 0 | 0 | 0 | 0 | 101.1 | R662 G666 | R662-T664 HydrophobicContact CB-CG2 4.31Å; R662-T664 HydrophobicContact CG-CG2 3.89Å; R662-T664 PolarHBondContact O-N 3.46Å; R662-T664 PolarHBondContact O-OG1 2.94Å; T664-G666 VanDerWaalsContact C-N 3.25Å; T664-G666 PolarHBondContact O-N 3.46Å | |||
| 665 | V | 35.5 | Very low | 40.2 | Very low | 117 Ų | 117 | 113.5 Ų | 113.5 | 71% | 0.709 | 62% | 0.622 | S | S | * | * | trans | -28.3 | 113.9 | 131.4 | -173.8 | 0 | 0 | 0 | 0 | 102.8 | F663 S667 | F663-V665 PolarHBondContact O-N 3.26Å; V665-S667 PolarHBondContact O-N 2.8Å | ||
| 666 | G | 30.1 | Very low | 42.5 | Very low | 38 Ų | 38 | 111.4 Ų | 111.4 | 39% | 0.392 | 61% | 0.611 | S | S | . | * | trans | -43.2 | 152.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | T664 D668 | T664-G666 VanDerWaalsContact C-N 3.25Å; T664-G666 PolarHBondContact O-N 3.46Å; G666-D668 PolarHBondContact O-N 3.36Å | ||
| 667 | S | 36 | Very low | 45.2 | Very low | 113 Ų | 113 | 111 Ų | 111 | 79% | 0.79 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -63.6 | 32.7 | 170.6 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | V665 V669 | V665-S667 PolarHBondContact O-N 2.8Å; S667-V669 WeakPolarHBondContact O-CG2 3.38Å; S667-V669 PolarHBondContact O-N 2.77Å |
| 668 | D | 43.9 | Very low | 47.6 | Very low | 118 Ų | 118 | 110.6 Ų | 110.6 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | trans | -64.8 | 68 | 149.7 | -55.2 | -9.4 | 0 | 0 | 0 | 107.1 | G666 D670 | G666-D668 PolarHBondContact O-N 3.36Å; D668-D670 PolarHBondContact O-N 3.48Å | ||
| 669 | V | 43.8 | Very low | 50.1 | Low | 118 Ų | 118 | 110.1 Ų | 110.1 | 72% | 0.715 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | -6.9 | 150.6 | -82.2 | 0 | 0 | 0 | 0 | 111.8 | S667 | S667-V669 WeakPolarHBondContact O-CG2 3.38Å; S667-V669 PolarHBondContact O-N 2.77Å |
| 670 | D | 48.3 | Very low | 52.6 | Low | 96 Ų | 96 | 106.8 Ų | 106.8 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | -23 | -170.4 | -71.6 | -7.3 | 0 | 0 | 0 | 115.6 | D668 A672 S673 T674 | D668-D670 PolarHBondContact O-N 3.48Å; D670-A672 VanDerWaalsContact C-N 3.33Å; D670-A672 PolarHBondContact O-N 3.37Å; D670-S673 WeakPolarHBondContact CA-OG 3.42Å; D670-S673 CarbonylContact O-C 3.45Å; D670-S673 WeakPolarHBondContact O-CA 3.33Å; D670-S673 WeakPolarHBondContact O-CB 3.34Å; D670-S673 PolarHBondContact O-N 2.97Å; D670-S673 PolarHBondContact O-OG 2.93Å; D670-T674 PolarHBondContact O-N 2.85Å; D670-T674 PolarHBondContact O-OG1 3.2Å |
| 671 | G | 47.8 | Very low | 55.1 | Low | 52 Ų | 52 | 102.2 Ų | 102.2 | 54% | 0.536 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -43.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S673 T674 | G671-S673 VanDerWaalsContact C-N 3.28Å; G671-S673 PolarHBondContact O-N 3.16Å; G671-T674 PolarHBondContact O-N 3.22Å |
| 672 | A | 52.3 | Low | 57.5 | Low | 55 Ų | 55 | 97.8 Ų | 97.8 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -22.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W177 P179 D670 | W177-A672 PolarHBondContact NE1-O 2.75Å; P179-A672 WeakPolarHBondContact CB-O 3.48Å; D670-A672 VanDerWaalsContact C-N 3.33Å; D670-A672 PolarHBondContact O-N 3.37Å |
| 673 | S | 60.3 | Low | 60.2 | Low | 61 Ų | 61 | 88.6 Ų | 88.6 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.5 | 176.6 | 86.2 | 0 | 0 | 0 | 0 | 113.6 | P179 D670 G671 | P179-S673 VanDerWaalsContact CB-O 3.23Å; P179-S673 WeakPolarHBondContact CB-O 3.31Å; P179-S673 WeakPolarHBondContact CG-O 3.4Å; D670-S673 WeakPolarHBondContact CA-OG 3.42Å; D670-S673 CarbonylContact O-C 3.45Å; D670-S673 WeakPolarHBondContact O-CA 3.33Å; D670-S673 WeakPolarHBondContact O-CB 3.34Å; D670-S673 PolarHBondContact O-N 2.97Å; D670-S673 PolarHBondContact O-OG 2.93Å; G671-S673 VanDerWaalsContact C-N 3.28Å; G671-S673 PolarHBondContact O-N 3.16Å |
| 674 | T | 72.1 | Confident | 62.5 | Low | 60 Ų | 60 | 82 Ų | 82 | 37% | 0.368 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -83.8 | 123.4 | -173.7 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | D670 G671 M676 | D670-T674 PolarHBondContact O-N 2.85Å; D670-T674 PolarHBondContact O-OG1 3.2Å; G671-T674 PolarHBondContact O-N 3.22Å; T674-M676 HydrophobicContact CG2-CG 4.43Å; T674-M676 HydrophobicContact CG2-SD 3.73Å; T674-M676 PolarHBondContact O-N 3.17Å |
| 675 | L | 76.2 | Confident | 65.1 | Low | 98 Ų | 98 | 85.8 Ų | 85.8 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | trans | -65.1 | 121 | 166.8 | -80.2 | 166.5 | 0 | 0 | 0 | 109.7 | R178 P179 Y677 | R178-L675 HydrophobicContact CG-CD2 4.26Å; P179-L675 HydrophobicContact CG-CD2 4.08Å; P179-L675 HydrophobicContact CG-CG 3.92Å; L675-Y677 HydrophobicContact CB-CE2 4.4Å | ||
| 676 | M | 80.4 | Confident | 67.2 | Low | 97 Ų | 97 | 81.9 Ų | 81.9 | 48% | 0.478 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.6 | -175.7 | -63.7 | -68.3 | -83.3 | 0 | 0 | 111.2 | L176 W177 T674 | L176-M676 HydrophobicContact CB-CB 4.24Å; L176-M676 PolarHBondContact N-O 2.82Å; W177-M676 HydrophobicContact CB-CB 3.97Å; W177-M676 HydrophobicContact CB-CG 4.16Å; W177-M676 PolarHBondContact N-O 3.45Å; W177-M676 PolarHBondContact O-N 3.39Å; T674-M676 HydrophobicContact CG2-CG 4.43Å; T674-M676 HydrophobicContact CG2-SD 3.73Å; T674-M676 PolarHBondContact O-N 3.17Å |
| 677 | Y | 84 | Confident | 69.4 | Low | 135 Ų | 135 | 84.5 Ų | 84.5 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 150.2 | 173.4 | -72 | -91.6 | 0 | 0 | 0 | 110.9 | E173 Q174 L175 L675 | E173-Y677 HydrophobicContact CB-CD1 4.18Å; E173-Y677 HydrophobicContact CB-CG 4.42Å; Q174-Y677 CarbonylContact O-C 3.49Å; Q174-Y677 WeakPolarHBondContact O-CA 3.49Å; L175-Y677 HydrophobicContact CB-CD1 4.24Å; L175-Y677 HydrophobicContact CB-CE1 3.93Å; L175-Y677 HydrophobicContact CD1-CD1 4.35Å; L175-Y677 HydrophobicContact CD1-CE1 3.83Å; L175-Y677 HydrophobicContact CD1-CE2 4.04Å; L175-Y677 HydrophobicContact CG-CE1 4.46Å; L675-Y677 HydrophobicContact CB-CE2 4.4Å |
| 678 | R | 83.6 | Confident | 71.5 | Confident | 133 Ų | 133 | 87.3 Ų | 87.3 | 50% | 0.502 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 126.5 | 175.8 | -177.3 | 178.2 | -171.4 | -159.3 | 3 | 110.8 | Q174 L176 T680 | Q174-R678 PolarHBondContact N-O 2.81Å; Q174-R678 PolarHBondContact O-N 3.39Å; L176-R678 HydrophobicContact CD1-CB 3.49Å; L176-R678 VanDerWaalsContact CD1-CB 3.49Å; L176-R678 HydrophobicContact CD1-CG 4.3Å; L176-R678 HydrophobicContact CD2-CB 4.5Å; L176-R678 HydrophobicContact CG-CB 3.92Å; R678-T680 PolarHBondContact O-N 2.98Å; R678-T680 VanDerWaalsContact O-N 3.14Å |
| 679 | A | 82.1 | Confident | 73.3 | Confident | 17 Ų | 17 | 89.7 Ų | 89.7 | 14% | 0.14 | 45% | 0.448 | C | S | . | . | trans | -52.5 | 124.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E173 I683 K684 | E173-A679 HydrophobicContact CG-CB 4.36Å; A679-I683 HydrophobicContact CB-CB 4.3Å; A679-I683 HydrophobicContact CB-CG2 3.91Å; A679-K684 HydrophobicContact CB-CG 4.03Å; A679-K684 WeakPolarHBondContact O-CE 3.35Å; A679-K684 PolarHBondContact O-NZ 2.6Å; A679-K684 VanDerWaalsContact O-NZ 3.1Å | ||
| 680 | T | 83.6 | Confident | 74.8 | Confident | 31 Ų | 31 | 88 Ų | 88 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | trans | -61.6 | 163.3 | 176 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | Q174 R678 L682 I683 K684 | Q174-T680 HydrophobicContact CB-CG2 4.04Å; R678-T680 PolarHBondContact O-N 2.98Å; R678-T680 VanDerWaalsContact O-N 3.14Å; T680-L682 PolarHBondContact O-N 3.35Å; T680-I683 HydrophobicContact CG2-CD1 4.37Å; T680-I683 PolarHBondContact O-N 3.18Å; T680-I683 WeakPolarHBondContact OG1-CD1 3.47Å; T680-I683 VanDerWaalsContact OG1-CG1 3.28Å; T680-I683 WeakPolarHBondContact OG1-CG1 3.11Å; T680-I683 PolarHBondContact OG1-N 3.11Å; T680-K684 WeakPolarHBondContact O-CG 3.4Å; T680-K684 PolarHBondContact O-N 3.01Å | ||
| 681 | Q | 81.9 | Confident | 76.1 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 176.4 | -68.5 | -63.1 | -13.1 | 0 | 0 | 112.2 | R685 | Q681-R685 WeakPolarHBondContact O-CB 3.48Å; Q681-R685 WeakPolarHBondContact O-CG 3.38Å; Q681-R685 PolarHBondContact O-N 2.84Å |
| 682 | L | 81.4 | Confident | 77.6 | Confident | 117 Ų | 117 | 84.6 Ų | 84.6 | 61% | 0.613 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.8 | -49.4 | 174.6 | -67.5 | 175.8 | 0 | 0 | 0 | 111 | T680 K684 R685 S686 | T680-L682 PolarHBondContact O-N 3.35Å; L682-K684 VanDerWaalsContact C-N 3.34Å; L682-K684 PolarHBondContact O-N 3.21Å; L682-R685 PolarHBondContact O-N 3.31Å; L682-S686 WeakPolarHBondContact O-CB 3.39Å; L682-S686 PolarHBondContact O-N 3.12Å |
| 683 | I | 81.7 | Confident | 78.7 | Confident | 17 Ų | 17 | 87.3 Ų | 87.3 | 9% | 0.087 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 175.7 | -67.5 | 166.6 | 0 | 0 | 0 | 110.8 | I171 H172 A679 T680 R685 S686 R687 | I171-I683 VanDerWaalsContact O-CD1 3.3Å; I171-I683 WeakPolarHBondContact O-CD1 3.45Å; H172-I683 WeakPolarHBondContact O-CD1 3.24Å; A679-I683 HydrophobicContact CB-CB 4.3Å; A679-I683 HydrophobicContact CB-CG2 3.91Å; T680-I683 HydrophobicContact CG2-CD1 4.37Å; T680-I683 PolarHBondContact O-N 3.18Å; T680-I683 WeakPolarHBondContact OG1-CD1 3.47Å; T680-I683 VanDerWaalsContact OG1-CG1 3.28Å; T680-I683 WeakPolarHBondContact OG1-CG1 3.11Å; T680-I683 PolarHBondContact OG1-N 3.11Å; I683-R685 VanDerWaalsContact C-N 3.31Å; I683-R685 PolarHBondContact O-N 3.31Å; I683-S686 PolarHBondContact O-N 3.41Å; I683-R687 HydrophobicContact CG2-CG 4.28Å; I683-R687 VanDerWaalsContact CG2-CZ 3.44Å; I683-R687 WeakPolarHBondContact O-CB 3.45Å; I683-R687 WeakPolarHBondContact O-CG 3.32Å; I683-R687 PolarHBondContact O-N 3.2Å |
| 684 | K | 81.2 | Confident | 79.4 | Confident | 53 Ų | 53 | 87.5 Ų | 87.5 | 23% | 0.23 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.9 | -35 | 178.5 | -74 | 173.6 | 179.2 | 158.3 | 0 | 113.4 | A679 T680 L682 R688 | A679-K684 HydrophobicContact CB-CG 4.03Å; A679-K684 WeakPolarHBondContact O-CE 3.35Å; A679-K684 PolarHBondContact O-NZ 2.6Å; A679-K684 VanDerWaalsContact O-NZ 3.1Å; T680-K684 WeakPolarHBondContact O-CG 3.4Å; T680-K684 PolarHBondContact O-N 3.01Å; L682-K684 VanDerWaalsContact C-N 3.34Å; L682-K684 PolarHBondContact O-N 3.21Å; K684-R688 WeakPolarHBondContact O-CB 3.17Å; K684-R688 WeakPolarHBondContact O-CG 3.32Å; K684-R688 PolarHBondContact O-N 2.81Å; K684-R688 PolarHBondContact O-NE 3.27Å |
| 685 | R | 81.1 | Confident | 79.7 | Confident | 169 Ų | 169 | 88.3 Ų | 88.3 | 64% | 0.638 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -74.7 | -44.5 | 176.3 | -76.6 | 173.6 | -177.9 | -178.7 | 1.3 | 110.8 | Q681 L682 I683 R688 K689 | Q681-R685 WeakPolarHBondContact O-CB 3.48Å; Q681-R685 WeakPolarHBondContact O-CG 3.38Å; Q681-R685 PolarHBondContact O-N 2.84Å; L682-R685 PolarHBondContact O-N 3.31Å; I683-R685 VanDerWaalsContact C-N 3.31Å; I683-R685 PolarHBondContact O-N 3.31Å; R685-R688 PolarHBondContact O-N 3.13Å; R685-K689 VanDerWaalsContact O-CB 3.32Å; R685-K689 WeakPolarHBondContact O-CB 3.32Å; R685-K689 PolarHBondContact O-N 3.35Å |
| 686 | S | 78.6 | Confident | 79.6 | Confident | 35 Ų | 35 | 86.8 Ų | 86.8 | 25% | 0.245 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.7 | -56 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | L682 I683 R688 K689 F690 | L682-S686 WeakPolarHBondContact O-CB 3.39Å; L682-S686 PolarHBondContact O-N 3.12Å; I683-S686 PolarHBondContact O-N 3.41Å; S686-R688 VanDerWaalsContact C-N 3.29Å; S686-R688 PolarHBondContact O-N 3.18Å; S686-K689 PolarHBondContact O-N 2.89Å; S686-F690 WeakPolarHBondContact O-CD2 3.32Å; S686-F690 PolarHBondContact O-N 2.63Å; S686-F690 VanDerWaalsContact O-N 3.09Å; S686-F690 WeakPolarHBondContact OG-CD2 3.49Å |
| 687 | R | 78.2 | Confident | 79.3 | Confident | 93 Ų | 93 | 88.8 Ų | 88.8 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -54.2 | -42.8 | 177.1 | -70.2 | -179.6 | -177.5 | 164.4 | 9.1 | 112.2 | E173 I683 L691 L696 | E173-R687 IonicContact OE1-CZ 3.88Å; E173-R687 IonicContact OE1-NH1 3.39Å; E173-R687 IonicContact OE1-NH2 3.99Å; E173-R687 PolarHBondContact OE1-NH2 3.03Å; I683-R687 HydrophobicContact CG2-CG 4.28Å; I683-R687 VanDerWaalsContact CG2-CZ 3.44Å; I683-R687 WeakPolarHBondContact O-CB 3.45Å; I683-R687 WeakPolarHBondContact O-CG 3.32Å; I683-R687 PolarHBondContact O-N 3.2Å; R687-L691 HydrophobicContact CB-CD1 4.36Å; R687-L691 WeakPolarHBondContact O-CB 3.46Å; R687-L691 PolarHBondContact O-N 3.18Å; R687-L696 HydrophobicContact CB-CD1 3.86Å |
| 688 | R | 78.9 | Confident | 78.8 | Confident | 171 Ų | 171 | 90.4 Ų | 90.4 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -73.5 | -26.4 | 178.3 | -78.7 | -172.6 | -91.5 | -169.2 | -6.1 | 115 | K684 R685 S686 | K684-R688 WeakPolarHBondContact O-CB 3.17Å; K684-R688 WeakPolarHBondContact O-CG 3.32Å; K684-R688 PolarHBondContact O-N 2.81Å; K684-R688 PolarHBondContact O-NE 3.27Å; R685-R688 PolarHBondContact O-N 3.13Å; S686-R688 VanDerWaalsContact C-N 3.29Å; S686-R688 PolarHBondContact O-N 3.18Å |
| 689 | K | 81.6 | Confident | 78.1 | Confident | 168 Ų | 168 | 86.4 Ų | 86.4 | 73% | 0.73 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -76.6 | -35.1 | 178.3 | -174.2 | -179 | 178.2 | -173.5 | 0 | 111.3 | R685 S686 | R685-K689 VanDerWaalsContact O-CB 3.32Å; R685-K689 WeakPolarHBondContact O-CB 3.32Å; R685-K689 PolarHBondContact O-N 3.35Å; S686-K689 PolarHBondContact O-N 2.89Å |
| 690 | F | 75.2 | Confident | 77.5 | Confident | 83 Ų | 83 | 88.2 Ų | 88.2 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -104.4 | -16.4 | -171.9 | -60.5 | -66.6 | 0 | 0 | 0 | 114.8 | S686 F707 V709 | S686-F690 WeakPolarHBondContact O-CD2 3.32Å; S686-F690 PolarHBondContact O-N 2.63Å; S686-F690 VanDerWaalsContact O-N 3.09Å; S686-F690 WeakPolarHBondContact OG-CD2 3.49Å; F690-F707 HydrophobicContact CB-CE1 3.69Å; F690-F707 HydrophobicContact CB-CZ 4.18Å; F690-V709 HydrophobicContact CD1-CG1 3.6Å; F690-V709 HydrophobicContact CD2-CG1 4.2Å; F690-V709 HydrophobicContact CE1-CG1 3.66Å; F690-V709 HydrophobicContact CE2-CG1 4.29Å; F690-V709 HydrophobicContact CG-CG1 3.88Å; F690-V709 HydrophobicContact CZ-CG1 4.02Å |
| 691 | L | 75.7 | Confident | 76.8 | Confident | 19 Ų | 19 | 90.1 Ų | 90.1 | 10% | 0.099 | 43% | 0.426 | C | S | . | . | trans | -118 | 130.8 | -178.8 | -57.8 | 165.6 | 0 | 0 | 0 | 110.5 | R687 E695 L696 F707 | R687-L691 HydrophobicContact CB-CD1 4.36Å; R687-L691 WeakPolarHBondContact O-CB 3.46Å; R687-L691 PolarHBondContact O-N 3.18Å; L691-E695 HydrophobicContact CB-CB 4.15Å; L691-E695 HydrophobicContact CD2-CB 3.87Å; L691-L696 HydrophobicContact CB-CB 4.38Å; L691-L696 HydrophobicContact CB-CD1 4.32Å; L691-L696 HydrophobicContact CD1-CD1 3.93Å; L691-F707 HydrophobicContact CD2-CD2 3.99Å; L691-F707 HydrophobicContact CD2-CE1 4Å; L691-F707 HydrophobicContact CD2-CE2 3.35Å; L691-F707 HydrophobicContact CD2-CZ 3.34Å; L691-F707 HydrophobicContact CG-CE1 4.27Å; L691-F707 HydrophobicContact CG-CE2 4.43Å; L691-F707 HydrophobicContact CG-CZ 4.05Å | ||
| 692 | S | 80.4 | Confident | 76.1 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 41% | 0.406 | 41% | 0.413 | S | S | . | . | trans | -61 | 160.6 | 160.1 | 67.5 | 0 | 0 | 0 | 0 | 110.5 | A694 E695 L696 | S692-A694 PolarHBondContact O-N 2.84Å; S692-E695 VanDerWaalsContact CB-OE2 3.27Å; S692-E695 WeakPolarHBondContact CB-OE2 3.29Å; S692-E695 PolarHBondContact N-OE2 2.79Å; S692-E695 PolarHBondContact O-N 2.88Å; S692-E695 VanDerWaalsContact O-N 3.14Å; S692-E695 WeakPolarHBondContact OG-CB 3.32Å; S692-E695 VanDerWaalsContact OG-CD 3.24Å; S692-E695 VanDerWaalsContact OG-CG 3.25Å; S692-E695 WeakPolarHBondContact OG-CG 3.39Å; S692-E695 PolarHBondContact OG-N 3.47Å; S692-E695 PolarHBondContact OG-OE2 2.98Å; S692-L696 WeakPolarHBondContact O-CB 3.32Å; S692-L696 PolarHBondContact O-N 3.13Å | ||
| 693 | L | 74.7 | Confident | 75.3 | Confident | 111 Ų | 111 | 85.5 Ų | 85.5 | 58% | 0.581 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.9 | -31.1 | 177.7 | -172.1 | 64.7 | 0 | 0 | 0 | 112.4 | R697 | L693-R697 VanDerWaalsContact CD2-NH2 3.31Å; L693-R697 VanDerWaalsContact O-CG 3.3Å; L693-R697 WeakPolarHBondContact O-CG 3.41Å; L693-R697 PolarHBondContact O-N 3.01Å |
| 694 | A | 74.9 | Confident | 74.3 | Confident | 66 Ų | 66 | 88.6 Ų | 88.6 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.1 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S692 R697 R698 | S692-A694 PolarHBondContact O-N 2.84Å; A694-R697 PolarHBondContact O-N 2.94Å; A694-R698 PolarHBondContact O-N 3.48Å |
| 695 | E | 77.8 | Confident | 73.3 | Confident | 77 Ų | 77 | 89 Ų | 89 | 36% | 0.36 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 176.3 | -69.5 | 160.9 | 144.5 | 0 | 0 | 111.6 | L691 S692 R697 R698 F699 | L691-E695 HydrophobicContact CB-CB 4.15Å; L691-E695 HydrophobicContact CD2-CB 3.87Å; S692-E695 VanDerWaalsContact CB-OE2 3.27Å; S692-E695 WeakPolarHBondContact CB-OE2 3.29Å; S692-E695 PolarHBondContact N-OE2 2.79Å; S692-E695 PolarHBondContact O-N 2.88Å; S692-E695 VanDerWaalsContact O-N 3.14Å; S692-E695 WeakPolarHBondContact OG-CB 3.32Å; S692-E695 VanDerWaalsContact OG-CD 3.24Å; S692-E695 VanDerWaalsContact OG-CG 3.25Å; S692-E695 WeakPolarHBondContact OG-CG 3.39Å; S692-E695 PolarHBondContact OG-N 3.47Å; S692-E695 PolarHBondContact OG-OE2 2.98Å; E695-R697 VanDerWaalsContact C-N 3.28Å; E695-R697 PolarHBondContact O-N 3.02Å; E695-R698 PolarHBondContact O-N 3.1Å; E695-R698 VanDerWaalsContact O-N 3.08Å; E695-F699 WeakPolarHBondContact O-CB 3.46Å; E695-F699 PolarHBondContact O-N 2.95Å |
| 696 | L | 74.8 | Confident | 71.9 | Confident | 65 Ų | 65 | 87.3 Ų | 87.3 | 34% | 0.34 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 174.7 | -163.3 | 97.7 | 0 | 0 | 0 | 111.5 | R687 L691 S692 G700 | R687-L696 HydrophobicContact CB-CD1 3.86Å; L691-L696 HydrophobicContact CB-CB 4.38Å; L691-L696 HydrophobicContact CB-CD1 4.32Å; L691-L696 HydrophobicContact CD1-CD1 3.93Å; S692-L696 WeakPolarHBondContact O-CB 3.32Å; S692-L696 PolarHBondContact O-N 3.13Å; L696-G700 PolarHBondContact O-N 3.04Å |
| 697 | R | 73.8 | Confident | 70.8 | Confident | 139 Ų | 139 | 89.9 Ų | 89.9 | 53% | 0.525 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.9 | -34.1 | 175.3 | -72.7 | 176.3 | -170.4 | 133.8 | -5.4 | 112.8 | L693 A694 E695 | L693-R697 VanDerWaalsContact CD2-NH2 3.31Å; L693-R697 VanDerWaalsContact O-CG 3.3Å; L693-R697 WeakPolarHBondContact O-CG 3.41Å; L693-R697 PolarHBondContact O-N 3.01Å; A694-R697 PolarHBondContact O-N 2.94Å; E695-R697 VanDerWaalsContact C-N 3.28Å; E695-R697 PolarHBondContact O-N 3.02Å |
| 698 | R | 72.9 | Confident | 69.3 | Low | 170 Ų | 170 | 92.8 Ų | 92.8 | 64% | 0.642 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.1 | -43.2 | 176 | -169 | 178.5 | -177.7 | -177.2 | 0.9 | 110.6 | A694 E695 G700 R701 | A694-R698 PolarHBondContact O-N 3.48Å; E695-R698 PolarHBondContact O-N 3.1Å; E695-R698 VanDerWaalsContact O-N 3.08Å; R698-G700 VanDerWaalsContact C-N 3.3Å; R698-G700 PolarHBondContact O-N 2.82Å; R698-R701 WeakPolarHBondContact O-CB 3.37Å; R698-R701 PolarHBondContact O-N 2.92Å |
| 699 | F | 69.7 | Low | 67.6 | Low | 49 Ų | 49 | 87 Ų | 87 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | 175.6 | -165.1 | -91.5 | 0 | 0 | 0 | 111.9 | E695 R701 H702 F705 F707 | E695-F699 WeakPolarHBondContact O-CB 3.46Å; E695-F699 PolarHBondContact O-N 2.95Å; F699-R701 PolarHBondContact O-N 2.99Å; F699-R701 VanDerWaalsContact O-N 3.12Å; F699-H702 CarbonylContact O-C 3.52Å; F699-H702 PolarHBondContact O-N 3.4Å; F699-F705 HydrophobicContact CE2-CB 4.43Å; F699-F705 WeakPolarHBondContact CE2-O 3.29Å; F699-F705 WeakPolarHBondContact CZ-O 3.41Å; F699-F707 HydrophobicContact CE2-CB 3.77Å; F699-F707 HydrophobicContact CZ-CB 4.24Å |
| 700 | G | 69.1 | Low | 65.4 | Low | 55 Ų | 55 | 81.4 Ų | 81.4 | 57% | 0.567 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L696 R698 | L696-G700 PolarHBondContact O-N 3.04Å; R698-G700 VanDerWaalsContact C-N 3.3Å; R698-G700 PolarHBondContact O-N 2.82Å |
| 701 | R | 69.3 | Low | 63.7 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 27% | 0.268 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -23.4 | 174 | -55 | -175.4 | -158.1 | -155.2 | 5.8 | 112.9 | Q151 R698 F699 P703 W704 | Q151-R701 PolarHBondContact O-NH1 3.22Å; R698-R701 WeakPolarHBondContact O-CB 3.37Å; R698-R701 PolarHBondContact O-N 2.92Å; F699-R701 PolarHBondContact O-N 2.99Å; F699-R701 VanDerWaalsContact O-N 3.12Å; R701-P703 VanDerWaalsContact C-CD 3.49Å; R701-W704 WeakPolarHBondContact O-CH2 3.33Å |
| 702 | H | 68.2 | Low | 61.8 | Low | 50 Ų | 50 | 90.7 Ų | 90.7 | 23% | 0.231 | 47% | 0.474 | C | S | . | . | trans | -132.1 | 67.7 | 176.5 | -46.9 | -87.7 | 0 | 0 | 0 | 111.7 | E155 F699 W704 F705 | E155-H702 IonicContact OE2-CE1 3.2Å; E155-H702 IonicContact OE2-ND1 3.67Å; F699-H702 CarbonylContact O-C 3.52Å; F699-H702 PolarHBondContact O-N 3.4Å; H702-W704 VanDerWaalsContact CA-CH2 3.48Å; H702-W704 HydrophobicContact CB-CH2 3.81Å; H702-W704 HydrophobicContact CB-CZ2 3.66Å; H702-W704 HydrophobicContact CB-CZ3 4.41Å; H702-W704 AromaticContact CG-CH2 3.99Å; H702-W704 AromaticContact CG-CZ2 3.85Å; H702-W704 AromaticContact ND1-CH2 3.52Å; H702-W704 AromaticContact ND1-CZ2 3.27Å; H702-W704 VanDerWaalsContact ND1-CZ2 3.27Å; H702-W704 WeakPolarHBondContact ND1-CZ2 3.26Å; H702-W704 PolarHBondContact O-N 2.83Å; H702-W704 VanDerWaalsContact O-N 3.11Å; H702-F705 HydrophobicContact CB-CD2 3.45Å; H702-F705 VanDerWaalsContact CB-CD2 3.45Å; H702-F705 HydrophobicContact CB-CE2 3.91Å; H702-F705 PolarHBondContact O-N 3.19Å; H702-F705 VanDerWaalsContact O-N 3.16Å | ||
| 703 | P | 64.1 | Low | 59.6 | Low | 76 Ų | 76 | 92 Ų | 92 | 49% | 0.494 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.3 | -175.8 | 21.2 | -34.1 | 0 | 0 | 0 | 114.8 | R701 | R701-P703 VanDerWaalsContact C-CD 3.49Š|
| 704 | W | 59.3 | Low | 57.6 | Low | 82 Ų | 82 | 96.3 Ų | 96.3 | 31% | 0.311 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -6.5 | 179.2 | 61.1 | 90.4 | 0 | 0 | 0 | 114.4 | A154 E155 E157 R701 H702 D706 | A154-W704 HydrophobicContact CB-CZ3 4.3Å; E155-W704 VanDerWaalsContact C-CH2 3.49Å; E155-W704 HydrophobicContact CB-CH2 3.57Å; E155-W704 HydrophobicContact CB-CZ2 3.65Å; E155-W704 VanDerWaalsContact N-CH2 3.29Å; E155-W704 WeakPolarHBondContact O-CH2 3.09Å; E155-W704 WeakPolarHBondContact O-CZ2 3.38Å; E155-W704 WeakPolarHBondContact O-CZ3 3.49Å; E157-W704 HydrophobicContact CG-CD2 4.37Å; E157-W704 HydrophobicContact CG-CG 4.26Å; R701-W704 WeakPolarHBondContact O-CH2 3.33Å; H702-W704 VanDerWaalsContact CA-CH2 3.48Å; H702-W704 HydrophobicContact CB-CH2 3.81Å; H702-W704 HydrophobicContact CB-CZ2 3.66Å; H702-W704 HydrophobicContact CB-CZ3 4.41Å; H702-W704 AromaticContact CG-CH2 3.99Å; H702-W704 AromaticContact CG-CZ2 3.85Å; H702-W704 AromaticContact ND1-CH2 3.52Å; H702-W704 AromaticContact ND1-CZ2 3.27Å; H702-W704 VanDerWaalsContact ND1-CZ2 3.27Å; H702-W704 WeakPolarHBondContact ND1-CZ2 3.26Å; H702-W704 PolarHBondContact O-N 2.83Å; H702-W704 VanDerWaalsContact O-N 3.11Å; W704-D706 PolarHBondContact O-N 3.39Å |
| 705 | F | 60.5 | Low | 55.5 | Low | 61 Ų | 61 | 99 Ų | 99 | 27% | 0.268 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -68.4 | 118.7 | 171.1 | -90.4 | -88 | 0 | 0 | 0 | 108.8 | F699 H702 F707 L725 | F699-F705 HydrophobicContact CE2-CB 4.43Å; F699-F705 WeakPolarHBondContact CE2-O 3.29Å; F699-F705 WeakPolarHBondContact CZ-O 3.41Å; H702-F705 HydrophobicContact CB-CD2 3.45Å; H702-F705 VanDerWaalsContact CB-CD2 3.45Å; H702-F705 HydrophobicContact CB-CE2 3.91Å; H702-F705 PolarHBondContact O-N 3.19Å; H702-F705 VanDerWaalsContact O-N 3.16Å; F705-F707 PolarHBondContact O-N 3.03Å; F705-L725 HydrophobicContact CB-CD2 4.35Å; F705-L725 HydrophobicContact CD1-CB 4.07Å; F705-L725 HydrophobicContact CD1-CD2 3.6Å; F705-L725 HydrophobicContact CD1-CG 4.34Å; F705-L725 HydrophobicContact CE1-CB 3.85Å; F705-L725 HydrophobicContact CE1-CD2 4.18Å; F705-L725 HydrophobicContact CE1-CG 4.45Å; F705-L725 HydrophobicContact CG-CD2 4.13Å |
| 706 | D | 53.4 | Low | 53.2 | Low | 135 Ų | 135 | 99.4 Ų | 99.4 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | trans | -58.9 | 109.8 | 169.7 | -79.2 | -29.6 | 0 | 0 | 0 | 109.1 | W704 N708 | W704-D706 PolarHBondContact O-N 3.39Å; D706-N708 PolarHBondContact O-N 2.81Å | ||
| 707 | F | 54.9 | Low | 51.1 | Low | 89 Ų | 89 | 105 Ų | 105 | 39% | 0.39 | 56% | 0.555 | S | S | . | * | trans | -75.7 | 87.7 | 167.5 | -166.5 | -111.1 | 0 | 0 | 0 | 107.6 | F690 L691 F699 F705 V709 | F690-F707 HydrophobicContact CB-CE1 3.69Å; F690-F707 HydrophobicContact CB-CZ 4.18Å; L691-F707 HydrophobicContact CD2-CD2 3.99Å; L691-F707 HydrophobicContact CD2-CE1 4Å; L691-F707 HydrophobicContact CD2-CE2 3.35Å; L691-F707 HydrophobicContact CD2-CZ 3.34Å; L691-F707 HydrophobicContact CG-CE1 4.27Å; L691-F707 HydrophobicContact CG-CE2 4.43Å; L691-F707 HydrophobicContact CG-CZ 4.05Å; F699-F707 HydrophobicContact CE2-CB 3.77Å; F699-F707 HydrophobicContact CZ-CB 4.24Å; F705-F707 PolarHBondContact O-N 3.03Å; F707-V709 HydrophobicContact CD1-CB 3.77Å; F707-V709 HydrophobicContact CD1-CG2 3.62Å; F707-V709 HydrophobicContact CE1-CB 3.5Å; F707-V709 VanDerWaalsContact CE1-CB 3.5Å; F707-V709 HydrophobicContact CE1-CG1 4.44Å; F707-V709 HydrophobicContact CE1-CG2 3Å; F707-V709 HydrophobicContact CE2-CG2 4.09Å; F707-V709 HydrophobicContact CG-CG2 4.41Å; F707-V709 HydrophobicContact CZ-CB 4.27Å; F707-V709 HydrophobicContact CZ-CG2 3.27Å; F707-V709 PolarHBondContact O-N 3.15Å | ||
| 708 | N | 45.2 | Very low | 49 | Very low | 154 Ų | 154 | 106.6 Ų | 106.6 | 82% | 0.824 | 57% | 0.568 | S | S | * | * | trans | -75.9 | 56.7 | 179.7 | -146 | -2.6 | 0 | 0 | 0 | 110.4 | D706 | D706-N708 PolarHBondContact O-N 2.81Š| ||
| 709 | V | 44.8 | Very low | 47.1 | Very low | 48 Ų | 48 | 104.3 Ų | 104.3 | 29% | 0.291 | 58% | 0.575 | S | S | . | * | trans | -90.1 | 108.4 | 160.2 | 171.4 | 0 | 0 | 0 | 0 | 105.4 | F690 F707 L711 | F690-V709 HydrophobicContact CD1-CG1 3.6Å; F690-V709 HydrophobicContact CD2-CG1 4.2Å; F690-V709 HydrophobicContact CE1-CG1 3.66Å; F690-V709 HydrophobicContact CE2-CG1 4.29Å; F690-V709 HydrophobicContact CG-CG1 3.88Å; F690-V709 HydrophobicContact CZ-CG1 4.02Å; F707-V709 HydrophobicContact CD1-CB 3.77Å; F707-V709 HydrophobicContact CD1-CG2 3.62Å; F707-V709 HydrophobicContact CE1-CB 3.5Å; F707-V709 VanDerWaalsContact CE1-CB 3.5Å; F707-V709 HydrophobicContact CE1-CG1 4.44Å; F707-V709 HydrophobicContact CE1-CG2 3Å; F707-V709 HydrophobicContact CE2-CG2 4.09Å; F707-V709 HydrophobicContact CG-CG2 4.41Å; F707-V709 HydrophobicContact CZ-CB 4.27Å; F707-V709 HydrophobicContact CZ-CG2 3.27Å; F707-V709 PolarHBondContact O-N 3.15Å; V709-L711 PolarHBondContact O-N 3.26Å | ||
| 710 | G | 35.4 | Very low | 45.2 | Very low | 51 Ų | 51 | 108.7 Ų | 108.7 | 53% | 0.526 | 61% | 0.606 | S | S | . | * | trans | -43.7 | 101.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | H712 | G710-H712 PolarHBondContact O-N 3.26Š| ||
| 711 | L | 39.4 | Very low | 43.2 | Very low | 121 Ų | 121 | 111 Ų | 111 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -61.7 | -9.7 | 170.4 | -96.8 | 138.2 | 0 | 0 | 0 | 110.9 | V709 | V709-L711 PolarHBondContact O-N 3.26Š|
| 712 | H | 34.9 | Very low | 41.5 | Very low | 176 Ų | 176 | 113 Ų | 113 | 82% | 0.815 | 64% | 0.638 | S | S | * | * | trans | -124.9 | 74.6 | 175.6 | -69.1 | 12.3 | 0 | 0 | 0 | 110.8 | G710 | G710-H712 PolarHBondContact O-N 3.26Š| ||
| 713 | S | 35.4 | Very low | 39.9 | Very low | 85 Ų | 85 | 114.9 Ų | 114.9 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | trans | -142.2 | 107.2 | 147.1 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | N715 | S713-N715 PolarHBondContact O-N 3.47Å; S713-N715 PolarHBondContact OG-N 3.16Å; S713-N715 PolarHBondContact OG-O 2.87Å | ||
| 714 | Q | 32.7 | Very low | 38.3 | Very low | 202 Ų | 202 | 117.7 Ų | 117.7 | 94% | 0.944 | 67% | 0.667 | S | S | * | * | trans | -69.2 | 3.9 | 167.4 | -76.4 | -167.2 | -8.4 | 0 | 0 | 112.8 | ||||
| 715 | N | 29.3 | Very low | 37.3 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 66% | 0.658 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -112.1 | 110.3 | 179.9 | -70.9 | -19.4 | 0 | 0 | 0 | 110.3 | S713 Q717 | S713-N715 PolarHBondContact O-N 3.47Å; S713-N715 PolarHBondContact OG-N 3.16Å; S713-N715 PolarHBondContact OG-O 2.87Å; N715-Q717 VanDerWaalsContact C-N 3.34Å; N715-Q717 PolarHBondContact O-N 3.32Å |
| 716 | G | 30 | Very low | 36 | Very low | 85 Ų | 85 | 124.7 Ų | 124.7 | 88% | 0.876 | 71% | 0.705 | S | S | * | * | trans | -63.7 | 85.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 717 | Q | 30.7 | Very low | 34.9 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -109.5 | 137.8 | 164.5 | -68.7 | -164.8 | -18.3 | 0 | 0 | 110.9 | N715 | N715-Q717 VanDerWaalsContact C-N 3.34Å; N715-Q717 PolarHBondContact O-N 3.32Å | ||
| 718 | H | 30.9 | Very low | 33.9 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | trans | -54.2 | 159 | -165 | -78.2 | -92.3 | 0 | 0 | 0 | 116.1 | V720 | H718-V720 PolarHBondContact O-N 3.06Š| ||
| 719 | P | 32.4 | Very low | 33 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | trans | -71.8 | 115.8 | -170.3 | 28.9 | -31.8 | 0 | 0 | 0 | 110.6 | ||||
| 720 | V | 29.8 | Very low | 32.4 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -74.6 | 128.5 | 170.5 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | H718 | H718-V720 PolarHBondContact O-N 3.06Š| ||
| 721 | S | 26.9 | Very low | 31.9 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | -42.9 | 138.7 | -175.8 | -60.4 | 0 | 0 | 0 | 0 | 115.1 | S723 | S721-S723 VanDerWaalsContact C-N 3.32Å; S721-S723 PolarHBondContact O-N 3.16Å | ||
| 722 | S | 34.2 | Very low | 31.4 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -60.6 | 76.4 | 178.9 | -42.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 723 | S | 33.2 | Very low | 31.1 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | -159.2 | 58.5 | 170.5 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | S721 | S721-S723 VanDerWaalsContact C-N 3.32Å; S721-S723 PolarHBondContact O-N 3.16Å | ||
| 724 | N | 31.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -159.9 | 70 | 164.2 | -87.3 | -47 | 0 | 0 | 0 | 111.1 | K726 | N724-K726 VanDerWaalsContact C-N 3.29Å; N724-K726 PolarHBondContact O-N 3.15Å | ||
| 725 | L | 36.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | trans | -78.7 | 82.6 | 159.4 | -72.4 | 160.8 | 0 | 0 | 0 | 107.1 | F705 | F705-L725 HydrophobicContact CB-CD2 4.35Å; F705-L725 HydrophobicContact CD1-CB 4.07Å; F705-L725 HydrophobicContact CD1-CD2 3.6Å; F705-L725 HydrophobicContact CD1-CG 4.34Å; F705-L725 HydrophobicContact CE1-CB 3.85Å; F705-L725 HydrophobicContact CE1-CD2 4.18Å; F705-L725 HydrophobicContact CE1-CG 4.45Å; F705-L725 HydrophobicContact CG-CD2 4.13Å | ||
| 726 | K | 33.2 | Very low | 30.3 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -88.6 | 115.7 | 176.3 | -80.5 | -173 | 177.3 | -177.8 | 0 | 109.9 | N724 K728 | N724-K726 VanDerWaalsContact C-N 3.29Å; N724-K726 PolarHBondContact O-N 3.15Å; K726-K728 PolarHBondContact O-N 3.05Å | ||
| 727 | K | 31.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 135 Ų | 135 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | -59.5 | 119.6 | 164.6 | -161 | 168.2 | -170.5 | 164 | 0 | 107 | E157 S729 | E157-K727 IonicContact OE1-NZ 2.72Å; E157-K727 PolarHBondContact OE1-NZ 3.49Å; E157-K727 IonicContact OE2-NZ 3.95Å; K727-S729 PolarHBondContact O-N 3.39Å | ||
| 728 | K | 32.7 | Very low | 30.2 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -69 | 101.3 | 173.4 | -127.5 | -177.8 | -177 | -178.8 | 0 | 107 | K726 H730 | K726-K728 PolarHBondContact O-N 3.05Å; K728-H730 PolarHBondContact O-N 3.42Å | ||
| 729 | S | 26.5 | Very low | 29.9 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -70.6 | 105.6 | 167.8 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | K727 T731 | K727-S729 PolarHBondContact O-N 3.39Å; S729-T731 VanDerWaalsContact C-N 3.26Å; S729-T731 PolarHBondContact O-N 3.03Å | ||
| 730 | H | 32.1 | Very low | 29.8 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -69.7 | 88.8 | 165.7 | -80.6 | -84 | 0 | 0 | 0 | 108.3 | K728 V732 | K728-H730 PolarHBondContact O-N 3.42Å; H730-V732 PolarHBondContact O-N 3.31Å; H730-V732 VanDerWaalsContact O-N 3.13Å | ||
| 731 | T | 26 | Very low | 29.6 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -67.4 | 102.3 | 161.9 | 19.3 | 0 | 0 | 0 | 0 | 107.8 | S729 T733 | S729-T731 VanDerWaalsContact C-N 3.26Å; S729-T731 PolarHBondContact O-N 3.03Å; T731-T733 PolarHBondContact O-N 3.28Å | ||
| 732 | V | 29.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -71.7 | 103.8 | 170.3 | 177 | 0 | 0 | 0 | 0 | 107.6 | H730 T734 | H730-V732 PolarHBondContact O-N 3.31Å; H730-V732 VanDerWaalsContact O-N 3.13Å; V732-T734 PolarHBondContact O-N 3.19Å | ||
| 733 | T | 28.1 | Very low | 29.6 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -70.4 | 108.5 | 167.7 | -13.7 | 0 | 0 | 0 | 0 | 107.9 | T731 N735 | T731-T733 PolarHBondContact O-N 3.28Å; T733-N735 PolarHBondContact O-N 3.16Å; T733-N735 VanDerWaalsContact O-N 3.12Å | ||
| 734 | T | 26.2 | Very low | 29.4 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -66.8 | 101.1 | 175.5 | 48.8 | 0 | 0 | 0 | 0 | 110 | V732 | V732-T734 PolarHBondContact O-N 3.19Š| ||
| 735 | N | 29.6 | Very low | 29.6 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | -97.6 | 111.3 | 158.5 | -82.9 | -7.6 | 0 | 0 | 0 | 108.1 | T733 T737 | T733-N735 PolarHBondContact O-N 3.16Å; T733-N735 VanDerWaalsContact O-N 3.12Å; N735-T737 PolarHBondContact O-N 3.06Å | ||
| 736 | S | 24.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -65.7 | 112.5 | 173.2 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 737 | T | 29.8 | Very low | 29 | Very low | 139 Ų | 139 | 134 Ų | 134 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -139.6 | 135 | 154.4 | 40.7 | 0 | 0 | 0 | 0 | 109.2 | N735 | N735-T737 PolarHBondContact O-N 3.06Š| ||
| 738 | A | 28.9 | Very low | 28.9 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -55.6 | 140.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 739 | E | 23.9 | Very low | 28.7 | Very low | 170 Ų | 170 | 130.7 Ų | 130.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 8.5 | 122 | 136.3 | -68.4 | 173 | 161.3 | 0 | 0 | 118.1 | ||||
| 740 | T | 30.6 | Very low | 28.6 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -142.2 | 118.6 | 125.3 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 741 | D | 26.2 | Very low | 28.6 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -56.7 | 139.2 | 176.6 | -66.6 | -59.3 | 0 | 0 | 0 | 113.8 | ||||
| 742 | L | 30.4 | Very low | 28.6 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -162.8 | 146.4 | 139.9 | -96.5 | 140.1 | 0 | 0 | 0 | 110.1 | ||||
| 743 | P | 31 | Very low | 28.5 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -95.3 | 148.2 | -144 | 35.5 | -34.6 | 0 | 0 | 0 | 114.7 | ||||
| 744 | N | 29 | Very low | 28.4 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | -70.4 | 128.9 | 176.8 | -148.2 | 6.8 | 0 | 0 | 0 | 110.8 | G746 | N744-G746 PolarHBondContact O-N 3.21Å; N744-G746 VanDerWaalsContact O-N 3.09Å | ||
| 745 | P | 34.1 | Very low | 29 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | trans | -74 | 104.4 | 174.1 | 28.2 | -29 | 0 | 0 | 0 | 109.3 | ||||
| 746 | G | 29.9 | Very low | 28.9 | Very low | 64 Ų | 64 | 132.3 Ų | 132.3 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | -59.9 | 134.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N744 V748 | N744-G746 PolarHBondContact O-N 3.21Å; N744-G746 VanDerWaalsContact O-N 3.09Å; G746-V748 PolarHBondContact O-N 3.36Å | ||
| 747 | I | 28.3 | Very low | 29.1 | Very low | 158 Ų | 158 | 133.1 Ų | 133.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -58.1 | 112.5 | 168.2 | -66.3 | 167.4 | 0 | 0 | 0 | 108 | T749 | I747-T749 HydrophobicContact CG2-CG2 4.23Å; I747-T749 PolarHBondContact O-N 3.39Å | ||
| 748 | V | 30.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -75.5 | 94.1 | 173.3 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | G746 | G746-V748 PolarHBondContact O-N 3.36Š| ||
| 749 | T | 28.4 | Very low | 29.1 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 68% | 0.681 | 81% | 0.812 | S | S | * | * | trans | -76.9 | 122.2 | 162.5 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | I747 | I747-T749 HydrophobicContact CG2-CG2 4.23Å; I747-T749 PolarHBondContact O-N 3.39Å | ||
| 750 | S | 24.6 | Very low | 29.4 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -27.4 | 129.5 | 161.3 | 54 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 751 | S | 30.6 | Very low | 29.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -136.5 | 119.2 | 153.2 | 58.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 752 | S | 26 | Very low | 29.6 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -64.9 | 143.3 | 168.9 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 753 | S | 27.4 | Very low | 29.5 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 172.7 | 121.7 | 133.4 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 754 | A | 27.5 | Very low | 29.4 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | 51.6 | 107.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 755 | H | 36.9 | Very low | 29.4 | Very low | 267 Ų | 267 | 127.5 Ų | 127.5 | 100% | 1.236 | 81% | 0.81 | S | S | * | * | -163.6 | 0 | 101 | -103.6 | -60.2 | 0 | 0 | 0 | 111.6 |
Retrieved 755 of 755 residues in 1905 ms
(Link to these results)