| 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 | 85 | Confident | 97.3 | Very high | 192 Ų | 192 | 32.6 Ų | 32.6 | 95% | 0.946 | 16% | 0.159 | S | C | * | . | 0 | 134.4 | 0 | 178.7 | -179.6 | -85.3 | 0 | 0 | 107.4 | T3 R30 | M1-T3 PolarHBondContact O-N 3.36Å; M1-R30 HydrophobicContact SD-CB 4.31Å | |||
| 2 | I | 96.4 | Very high | 97.5 | Very high | 72 Ų | 72 | 30.5 Ų | 30.5 | 37% | 0.369 | 15% | 0.149 | S | C | . | . | trans | -72.8 | 123.9 | 177.3 | -62.6 | 175.2 | 0 | 0 | 0 | 108.1 | H4 A29 R30 | I2-H4 VanDerWaalsContact CG2-CD2 3.44Å; I2-H4 WeakPolarHBondContact CG2-CD2 3.39Å; I2-H4 WeakPolarHBondContact CG2-NE2 3.45Å; I2-A29 HydrophobicContact CB-CB 4.26Å; I2-A29 HydrophobicContact CG2-CB 3.84Å; I2-A29 WeakPolarHBondContact O-CA 3.11Å; I2-R30 PolarHBondContact O-N 3.31Å | ||
| 3 | T | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.8 | 174 | -57.8 | 0 | 0 | 0 | 0 | 109 | M1 R30 L32 V97 T98 H99 | M1-T3 PolarHBondContact O-N 3.36Å; T3-R30 CarbonylContact C-O 3.48Å; T3-R30 VanDerWaalsContact CA-O 3.31Å; T3-R30 WeakPolarHBondContact CA-O 3.09Å; T3-R30 HydrophobicContact CG2-CB 4.41Å; T3-R30 HydrophobicContact CG2-CG 4.5Å; T3-R30 PolarHBondContact OG1-NE 3.4Å; T3-L32 HydrophobicContact CG2-CD1 3.89Å; T3-L32 HydrophobicContact CG2-CG 4.27Å; T3-V97 HydrophobicContact CG2-CG2 4.12Å; T3-T98 PolarHBondContact N-OG1 2.83Å; T3-T98 VanDerWaalsContact N-OG1 3.08Å; T3-T98 PolarHBondContact O-N 2.86Å; T3-T98 PolarHBondContact O-OG1 3.04Å; T3-H99 PolarHBondContact O-N 3.15Å |
| 4 | H | 98.9 | Very high | 97.7 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.046 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134 | 174.5 | -63.6 | -179.2 | 0 | 0 | 0 | 109.1 | I2 A23 R30 V31 L32 H99 F101 | I2-H4 VanDerWaalsContact CG2-CD2 3.44Å; I2-H4 WeakPolarHBondContact CG2-CD2 3.39Å; I2-H4 WeakPolarHBondContact CG2-NE2 3.45Å; H4-A23 HydrophobicContact CB-CB 4.26Å; H4-A23 PolarHBondContact ND1-O 2.78Å; H4-R30 PolarHBondContact N-O 3.17Å; H4-V31 HydrophobicContact CB-CG2 4.36Å; H4-V31 WeakPolarHBondContact O-CA 3.36Å; H4-L32 PolarHBondContact O-N 3.44Å; H4-H99 CarbonylContact C-O 3.57Å; H4-H99 WeakPolarHBondContact CA-O 3.37Å; H4-H99 AromaticContact CD2-CG 3.87Å; H4-H99 AromaticContact CD2-ND1 3.79Å; H4-H99 AromaticContact NE2-CG 3.94Å; H4-H99 AromaticContact NE2-ND1 3.8Å; H4-F101 HydrophobicContact CB-CD2 4.09Å; H4-F101 HydrophobicContact CB-CE2 3.82Å; H4-F101 AromaticContact CD2-CE2 3.86Å; H4-F101 AromaticContact CE1-CE2 3.93Å; H4-F101 AromaticContact CG-CE2 3.52Å; H4-F101 AromaticContact ND1-CE2 3.6Å |
| 5 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.2 | 171.3 | -173.7 | 64.7 | 0 | 0 | 0 | 108.9 | L32 L34 V91 V97 H99 L100 F101 | L5-L32 CarbonylContact C-O 3.41Å; L5-L32 WeakPolarHBondContact CA-O 3.37Å; L5-L32 HydrophobicContact CD1-CB 3.73Å; L5-L34 HydrophobicContact CD1-CB 3.93Å; L5-L34 HydrophobicContact CD2-CB 4.44Å; L5-L34 HydrophobicContact CD2-CD2 4.12Å; L5-L34 HydrophobicContact CG-CB 4.3Å; L5-V91 HydrophobicContact CD1-CG1 4.2Å; L5-V91 HydrophobicContact CD2-CG1 3.87Å; L5-V97 HydrophobicContact CB-CG1 3.66Å; L5-V97 HydrophobicContact CB-CG2 3.98Å; L5-V97 HydrophobicContact CD2-CG2 4.32Å; L5-H99 PolarHBondContact N-O 3.16Å; L5-L100 HydrophobicContact CB-CD1 4.21Å; L5-L100 HydrophobicContact CD2-CD1 4.11Å; L5-L100 HydrophobicContact CG-CD1 4.19Å; L5-L100 WeakPolarHBondContact O-CA 3.36Å; L5-F101 PolarHBondContact O-N 3.18Å |
| 6 | V | 99 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115.4 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | F8 L20 A23 V31 L32 A33 L34 F101 | V6-F8 HydrophobicContact CB-CD2 4.43Å; V6-F8 HydrophobicContact CB-CE2 4.05Å; V6-F8 HydrophobicContact CG1-CD2 3.89Å; V6-F8 HydrophobicContact CG1-CE2 3.51Å; V6-F8 HydrophobicContact CG1-CZ 4.05Å; V6-L20 HydrophobicContact CG1-CB 4.4Å; V6-L20 HydrophobicContact CG1-CD1 4.46Å; V6-L20 HydrophobicContact CG2-CD1 4.23Å; V6-A23 HydrophobicContact CG2-CB 3.35Å; V6-V31 HydrophobicContact CG2-CG1 4.13Å; V6-L32 PolarHBondContact N-O 3.03Å; V6-A33 CarbonylContact O-C 3.44Å; V6-A33 VanDerWaalsContact O-CA 3.32Å; V6-A33 WeakPolarHBondContact O-CA 3.47Å; V6-L34 PolarHBondContact O-N 3.4Å; V6-F101 WeakPolarHBondContact CA-O 3.43Å |
| 7 | W | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 103.2 | 178.9 | -175.5 | 20 | 0 | 0 | 0 | 111.3 | R9 L34 I36 V88 L100 F101 R113 V117 | W7-R9 VanDerWaalsContact O-CD 3.3Å; W7-R9 WeakPolarHBondContact O-CD 3.22Å; W7-R9 PolarHBondContact O-NH1 3.12Å; W7-L34 HydrophobicContact CG-CD2 4.46Å; W7-I36 HydrophobicContact CZ2-CD1 3.92Å; W7-V88 HydrophobicContact CD2-CG2 4.06Å; W7-V88 HydrophobicContact CE3-CG2 4.08Å; W7-V88 HydrophobicContact CH2-CG2 3.91Å; W7-V88 HydrophobicContact CZ2-CG2 3.91Å; W7-V88 HydrophobicContact CZ3-CG2 4.02Å; W7-L100 HydrophobicContact CB-CD1 3.94Å; W7-F101 PolarHBondContact N-O 2.92Å; W7-R113 HydrophobicContact CH2-CG 4.08Å; W7-R113 VanDerWaalsContact CH2-NE 3.29Å; W7-V117 HydrophobicContact CH2-CG2 3.92Å; W7-V117 HydrophobicContact CZ3-CB 4.31Å; W7-V117 HydrophobicContact CZ3-CG1 4.17Å; W7-V117 HydrophobicContact CZ3-CG2 3.79Å |
| 8 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 143.4 | 177.7 | -76.4 | -92.5 | 0 | 0 | 0 | 111.8 | V6 D11 L12 N17 L20 A33 L34 Y35 L62 L66 | V6-F8 HydrophobicContact CB-CD2 4.43Å; V6-F8 HydrophobicContact CB-CE2 4.05Å; V6-F8 HydrophobicContact CG1-CD2 3.89Å; V6-F8 HydrophobicContact CG1-CE2 3.51Å; V6-F8 HydrophobicContact CG1-CZ 4.05Å; F8-D11 VanDerWaalsContact CA-OD1 3.31Å; F8-D11 WeakPolarHBondContact CA-OD1 3.39Å; F8-D11 WeakPolarHBondContact CD1-O 3.29Å; F8-D11 WeakPolarHBondContact CD1-OD1 3.49Å; F8-D11 WeakPolarHBondContact CE1-O 3.27Å; F8-L12 HydrophobicContact CB-CD2 4.18Å; F8-L12 HydrophobicContact CD1-CD2 4.49Å; F8-N17 VanDerWaalsContact CE1-ND2 3.34Å; F8-N17 WeakPolarHBondContact CE1-ND2 3.44Å; F8-L20 HydrophobicContact CE2-CD1 4.48Å; F8-L20 HydrophobicContact CZ-CB 4.35Å; F8-L20 HydrophobicContact CZ-CD1 4.13Å; F8-L20 HydrophobicContact CZ-CD2 4.15Å; F8-L20 HydrophobicContact CZ-CG 4.43Å; F8-A33 HydrophobicContact CD2-CB 4.01Å; F8-A33 HydrophobicContact CE2-CB 3.84Å; F8-L34 PolarHBondContact N-O 3.06Å; F8-Y35 HydrophobicContact CB-CD2 4.21Å; F8-Y35 WeakPolarHBondContact O-CD2 3.2Å; F8-L62 HydrophobicContact CD1-CD2 3.72Å; F8-L62 HydrophobicContact CD2-CD2 4.42Å; F8-L62 HydrophobicContact CE1-CD1 4.16Å; F8-L62 HydrophobicContact CE1-CD2 3.85Å; F8-L62 HydrophobicContact CG-CD2 4.01Å; F8-L62 HydrophobicContact CZ-CD1 4.32Å; F8-L62 HydrophobicContact CZ-CD2 4.26Å; F8-L66 HydrophobicContact CE2-CD1 4.23Å; F8-L66 HydrophobicContact CZ-CD2 4.49Å |
| 9 | R | 98.8 | Very high | 98 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -141.5 | -106.2 | 175.6 | -67 | 86.1 | 97.4 | -118.4 | -13.6 | 109.1 | W7 D11 L12 N103 D114 | W7-R9 VanDerWaalsContact O-CD 3.3Å; W7-R9 WeakPolarHBondContact O-CD 3.22Å; W7-R9 PolarHBondContact O-NH1 3.12Å; R9-D11 VanDerWaalsContact C-N 3.28Å; R9-D11 PolarHBondContact N-OD1 3.5Å; R9-D11 PolarHBondContact O-N 3.45Å; R9-L12 WeakPolarHBondContact O-CD2 2.98Å; R9-N103 VanDerWaalsContact NH1-N 3.11Å; R9-N103 PolarHBondContact NH1-O 3.24Å; R9-N103 PolarHBondContact NH2-O 3.4Å; R9-D114 IonicContact NH2-OD1 3.66Å; R9-D114 IonicContact NH2-OD2 2.74Å; R9-D114 PolarHBondContact NH2-OD2 3.34Å |
| 10 | Q | 98.6 | Very high | 98 | Very high | 56 Ų | 56 | 24.8 Ų | 24.8 | 26% | 0.262 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -92 | 53.7 | 177.9 | -62.1 | -68.8 | 4.7 | 0 | 0 | 111 | T244 G245 | Q10-T244 CarbonylContact C-O 3.49Å; Q10-T244 VanDerWaalsContact OE1-CA 3.24Å; Q10-G245 VanDerWaalsContact O-CA 3.31Å; Q10-G245 WeakPolarHBondContact O-CA 3.47Å |
| 11 | D | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | trans | -155.8 | 35.2 | -171.1 | 55.1 | 6.1 | 0 | 0 | 0 | 111.9 | F8 R9 R13 N17 N103 T244 G245 | F8-D11 VanDerWaalsContact CA-OD1 3.31Å; F8-D11 WeakPolarHBondContact CA-OD1 3.39Å; F8-D11 WeakPolarHBondContact CD1-O 3.29Å; F8-D11 WeakPolarHBondContact CD1-OD1 3.49Å; F8-D11 WeakPolarHBondContact CE1-O 3.27Å; R9-D11 VanDerWaalsContact C-N 3.28Å; R9-D11 PolarHBondContact N-OD1 3.5Å; R9-D11 PolarHBondContact O-N 3.45Å; D11-R13 PolarHBondContact O-N 3.24Å; D11-N17 PolarHBondContact O-ND2 3.06Å; D11-N103 WeakPolarHBondContact OD2-CB 3.31Å; D11-N103 PolarHBondContact OD2-ND2 3.5Å; D11-T244 PolarHBondContact N-O 3.39Å; D11-G245 CarbonylContact C-O 3.58Å | ||
| 12 | L | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 17 Ų | 17 | 4% | 0.037 | 9% | 0.09 | C | C | . | . | trans | -72.7 | 61.2 | -171.1 | -56.5 | -177.5 | 0 | 0 | 0 | 113.9 | F8 R9 Y35 I55 Q58 L59 L62 | F8-L12 HydrophobicContact CB-CD2 4.18Å; F8-L12 HydrophobicContact CD1-CD2 4.49Å; R9-L12 WeakPolarHBondContact O-CD2 2.98Å; L12-Y35 HydrophobicContact CD2-CD2 3.89Å; L12-Y35 HydrophobicContact CD2-CE2 3.83Å; L12-I55 HydrophobicContact CD1-CG2 3.93Å; L12-Q58 HydrophobicContact CB-CB 4.04Å; L12-Q58 HydrophobicContact CD1-CB 3.92Å; L12-L59 HydrophobicContact CD1-CB 4.26Å; L12-L59 HydrophobicContact CD2-CD1 4.31Å; L12-L62 HydrophobicContact CB-CD2 4.35Å; L12-L62 HydrophobicContact CD2-CD2 3.88Å | ||
| 13 | R | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | trans | -150.1 | 156.5 | -176.4 | 73 | 178.4 | -176.3 | -73.1 | -5.4 | 111.6 | D11 H15 D16 N17 D131 E205 G245 | D11-R13 PolarHBondContact O-N 3.24Å; R13-H15 VanDerWaalsContact CD-O 3.23Å; R13-H15 WeakPolarHBondContact CD-O 3.47Å; R13-H15 PolarHBondContact NE-O 3.26Å; R13-D16 PolarHBondContact NE-O 3.4Å; R13-D16 PolarHBondContact NH2-O 3.13Å; R13-N17 HydrophobicContact CG-CB 4.44Å; R13-N17 PolarHBondContact O-ND2 3.47Å; R13-D131 IonicContact CZ-OD2 2.76Å; R13-D131 IonicContact NH1-OD2 3.31Å; R13-D131 PolarHBondContact NH1-OD2 3.35Å; R13-D131 IonicContact NH2-OD1 3.23Å; R13-D131 PolarHBondContact NH2-OD1 3.42Å; R13-D131 IonicContact NH2-OD2 3.44Å; R13-D131 PolarHBondContact NH2-OD2 2.89Å; R13-E205 HydrophobicContact CB-CG 4.31Å; R13-E205 WeakPolarHBondContact CB-OE1 3.37Å; R13-G245 VanDerWaalsContact CD-O 3.23Å; R13-G245 WeakPolarHBondContact CD-O 3.43Å; R13-G245 WeakPolarHBondContact CG-O 3.06Å; R13-G245 PolarHBondContact NH1-O 3.14Å | ||
| 14 | L | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 14 Ų | 14 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -90.9 | -36.7 | 173.4 | -65.4 | -171.8 | 0 | 0 | 0 | 112.8 | L20 L62 A65 L66 K69 A172 E205 | L14-L20 HydrophobicContact CB-CD2 4.4Å; L14-L20 HydrophobicContact CD2-CD2 3.64Å; L14-L62 HydrophobicContact CD2-CD1 3.85Å; L14-L62 HydrophobicContact CG-CD1 4.36Å; L14-A65 HydrophobicContact CD1-CB 3.59Å; L14-A65 HydrophobicContact CG-CB 4.07Å; L14-L66 HydrophobicContact CD2-CD2 3.52Å; L14-L66 HydrophobicContact CD2-CG 4Å; L14-K69 HydrophobicContact CD1-CG 4.14Å; L14-A172 HydrophobicContact CB-CB 3.98Å; L14-A172 WeakPolarHBondContact O-CA 3.45Å; L14-E205 PolarHBondContact N-OE1 2.97Å; L14-E205 VanDerWaalsContact N-OE1 3.07Å; L14-E205 PolarHBondContact N-OE2 2.81Å |
| 15 | H | 98.9 | Very high | 98.8 | Very high | 74 Ų | 74 | 24.3 Ų | 24.3 | 34% | 0.343 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 135.2 | -173.2 | -62 | 76.6 | 0 | 0 | 0 | 110.5 | R13 N17 E205 I209 | R13-H15 VanDerWaalsContact CD-O 3.23Å; R13-H15 WeakPolarHBondContact CD-O 3.47Å; R13-H15 PolarHBondContact NE-O 3.26Å; H15-N17 PolarHBondContact O-N 3.04Å; H15-E205 VanDerWaalsContact CB-OE1 3.26Å; H15-E205 WeakPolarHBondContact CB-OE1 3.49Å; H15-E205 IonicContact CE1-OE2 3.7Å; H15-E205 IonicContact CG-OE1 2.8Å; H15-E205 PolarHBondContact N-OE1 2.94Å; H15-E205 IonicContact ND1-OE1 3.67Å; H15-E205 PolarHBondContact ND1-OE1 2.83Å; H15-E205 IonicContact ND1-OE2 3.95Å; H15-E205 PolarHBondContact ND1-OE2 2.94Å; H15-I209 HydrophobicContact CB-CD1 4.49Å |
| 16 | D | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 43.8 | 177.7 | -169.5 | 28 | 0 | 0 | 0 | 114 | R13 C169 V170 S248 R250 Q251 | R13-D16 PolarHBondContact NE-O 3.4Å; R13-D16 PolarHBondContact NH2-O 3.13Å; D16-C169 HydrophobicContact CB-CB 4.19Å; D16-C169 WeakPolarHBondContact OD1-CA 3.49Å; D16-C169 PolarHBondContact OD2-SG 2.91Å; D16-V170 WeakPolarHBondContact CA-O 3.35Å; D16-V170 PolarHBondContact N-O 3.11Å; D16-V170 PolarHBondContact OD1-N 2.95Å; D16-S248 WeakPolarHBondContact OD2-CB 3.31Å; D16-S248 PolarHBondContact OD2-OG 3.38Å; D16-R250 PolarHBondContact O-NH2 2.86Å; D16-R250 IonicContact OD1-CZ 3.73Å; D16-R250 IonicContact OD1-NE 3.98Å; D16-R250 PolarHBondContact OD1-NE 3.14Å; D16-R250 IonicContact OD1-NH2 3.82Å; D16-R250 PolarHBondContact OD1-NH2 3.19Å; D16-R250 VanDerWaalsContact OD2-CB 3.26Å; D16-R250 WeakPolarHBondContact OD2-CB 3.36Å; D16-R250 IonicContact OD2-CZ 2.81Å; D16-R250 IonicContact OD2-NE 3.39Å; D16-R250 PolarHBondContact OD2-NE 2.85Å; D16-R250 IonicContact OD2-NH2 2.77Å; D16-Q251 HydrophobicContact CB-CG 3.78Å |
| 17 | N | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -104 | 110.9 | 171.8 | -178.6 | -40.4 | 0 | 0 | 0 | 108.6 | F8 D11 R13 H15 A19 L20 A21 N103 | F8-N17 VanDerWaalsContact CE1-ND2 3.34Å; F8-N17 WeakPolarHBondContact CE1-ND2 3.44Å; D11-N17 PolarHBondContact O-ND2 3.06Å; R13-N17 HydrophobicContact CG-CB 4.44Å; R13-N17 PolarHBondContact O-ND2 3.47Å; H15-N17 PolarHBondContact O-N 3.04Å; N17-A19 PolarHBondContact OD1-N 2.89Å; N17-L20 HydrophobicContact CB-CB 3.93Å; N17-L20 HydrophobicContact CB-CD2 4.5Å; N17-L20 PolarHBondContact O-N 2.86Å; N17-L20 WeakPolarHBondContact OD1-CB 3.49Å; N17-L20 PolarHBondContact OD1-N 2.92Å; N17-A21 WeakPolarHBondContact O-CB 3.47Å; N17-A21 PolarHBondContact O-N 2.82Å; N17-N103 PolarHBondContact OD1-ND2 3.46Å | ||
| 18 | L | 98.9 | Very high | 98.4 | Very high | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.209 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -50.1 | -172 | -61.8 | -175.1 | 0 | 0 | 0 | 112.6 | L20 A21 A22 F129 D131 V170 | L18-L20 PolarHBondContact O-N 2.99Å; L18-A21 PolarHBondContact O-N 3.07Å; L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.28Å; L18-F129 HydrophobicContact CB-CB 3.65Å; L18-F129 HydrophobicContact CB-CD1 4.05Å; L18-F129 HydrophobicContact CB-CG 3.93Å; L18-F129 HydrophobicContact CD1-CB 4.09Å; L18-D131 HydrophobicContact CB-CB 4.23Å; L18-D131 HydrophobicContact CD1-CB 4.14Å; L18-D131 HydrophobicContact CG-CB 4.1Å; L18-D131 WeakPolarHBondContact CG-OD1 3.38Å; L18-D131 PolarHBondContact N-OD1 3.05Å; L18-D131 VanDerWaalsContact N-OD1 3.12Å; L18-V170 HydrophobicContact CD2-CG1 4.04Å; L18-V170 HydrophobicContact CD2-CG2 4Å |
| 19 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N17 A22 A23 F101 N103 F129 | N17-A19 PolarHBondContact OD1-N 2.89Å; A19-A22 PolarHBondContact O-N 3.01Å; A19-A23 WeakPolarHBondContact O-CB 3.21Å; A19-A23 PolarHBondContact O-N 2.99Å; A19-F101 HydrophobicContact CB-CB 4.15Å; A19-N103 VanDerWaalsContact CB-OD1 3.25Å; A19-N103 WeakPolarHBondContact CB-OD1 3.37Å; A19-N103 PolarHBondContact N-OD1 2.65Å; A19-N103 VanDerWaalsContact N-OD1 3.08Å; A19-F129 HydrophobicContact CB-CD2 3.83Å; A19-F129 HydrophobicContact CB-CE2 4.31Å |
| 20 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 179 | 178.7 | 64.5 | 0 | 0 | 0 | 111.7 | V6 F8 L14 N17 L18 A23 C24 L66 I71 P173 | V6-L20 HydrophobicContact CG1-CB 4.4Å; V6-L20 HydrophobicContact CG1-CD1 4.46Å; V6-L20 HydrophobicContact CG2-CD1 4.23Å; F8-L20 HydrophobicContact CE2-CD1 4.48Å; F8-L20 HydrophobicContact CZ-CB 4.35Å; F8-L20 HydrophobicContact CZ-CD1 4.13Å; F8-L20 HydrophobicContact CZ-CD2 4.15Å; F8-L20 HydrophobicContact CZ-CG 4.43Å; L14-L20 HydrophobicContact CB-CD2 4.4Å; L14-L20 HydrophobicContact CD2-CD2 3.64Å; N17-L20 HydrophobicContact CB-CB 3.93Å; N17-L20 HydrophobicContact CB-CD2 4.5Å; N17-L20 PolarHBondContact O-N 2.86Å; N17-L20 WeakPolarHBondContact OD1-CB 3.49Å; N17-L20 PolarHBondContact OD1-N 2.92Å; L18-L20 PolarHBondContact O-N 2.99Å; L20-A23 PolarHBondContact O-N 3.35Å; L20-C24 WeakPolarHBondContact O-CB 3.35Å; L20-C24 PolarHBondContact O-N 2.67Å; L20-C24 PolarHBondContact O-SG 2.77Å; L20-L66 HydrophobicContact CD1-CD2 4.3Å; L20-I71 HydrophobicContact CD1-CD1 4.21Å; L20-P173 HydrophobicContact CD1-CG 4.37Å; L20-P173 HydrophobicContact CD2-CG 3.88Å; L20-P173 HydrophobicContact CG-CG 4.01Å |
| 21 | A | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N17 L18 C24 R25 V170 | N17-A21 WeakPolarHBondContact O-CB 3.47Å; N17-A21 PolarHBondContact O-N 2.82Å; L18-A21 PolarHBondContact O-N 3.07Å; A21-C24 PolarHBondContact O-N 3.3Å; A21-R25 PolarHBondContact O-N 3.04Å; A21-R25 VanDerWaalsContact O-N 3.13Å; A21-V170 HydrophobicContact CB-CB 4Å; A21-V170 HydrophobicContact CB-CG2 3.64Å |
| 22 | A | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L18 A19 C24 R25 F101 F129 | L18-A22 VanDerWaalsContact O-CB 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.28Å; A19-A22 PolarHBondContact O-N 3.01Å; A22-C24 PolarHBondContact O-N 3.04Å; A22-R25 VanDerWaalsContact O-CB 3.32Å; A22-R25 WeakPolarHBondContact O-CB 3.39Å; A22-R25 PolarHBondContact O-N 2.9Å; A22-R25 VanDerWaalsContact O-N 3.15Å; A22-F101 HydrophobicContact CB-CD1 3.85Å; A22-F101 HydrophobicContact CB-CE1 4.05Å; A22-F129 HydrophobicContact CB-CE1 3.88Å; A22-F129 HydrophobicContact CB-CE2 4.06Å; A22-F129 HydrophobicContact CB-CZ 3.43Å; A22-F129 VanDerWaalsContact CB-CZ 3.43Å |
| 23 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H4 V6 A19 L20 V31 F101 | H4-A23 HydrophobicContact CB-CB 4.26Å; H4-A23 PolarHBondContact ND1-O 2.78Å; V6-A23 HydrophobicContact CG2-CB 3.35Å; A19-A23 WeakPolarHBondContact O-CB 3.21Å; A19-A23 PolarHBondContact O-N 2.99Å; L20-A23 PolarHBondContact O-N 3.35Å; A23-V31 HydrophobicContact CB-CG1 4.49Å; A23-F101 HydrophobicContact CB-CB 4.09Å; A23-F101 HydrophobicContact CB-CD1 4.35Å; A23-F101 HydrophobicContact CB-CD2 3.54Å; A23-F101 HydrophobicContact CB-CE2 4.03Å; A23-F101 HydrophobicContact CB-CG 3.74Å |
| 24 | C | 98.6 | Very high | 98.4 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 10% | 0.101 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -83.1 | -10.4 | -178.7 | -68 | 0 | 0 | 0 | 0 | 114.3 | L20 A21 A22 N26 P173 R176 | L20-C24 WeakPolarHBondContact O-CB 3.35Å; L20-C24 PolarHBondContact O-N 2.67Å; L20-C24 PolarHBondContact O-SG 2.77Å; A21-C24 PolarHBondContact O-N 3.3Å; A22-C24 PolarHBondContact O-N 3.04Å; C24-N26 VanDerWaalsContact C-N 3.3Å; C24-N26 PolarHBondContact O-N 3.28Å; C24-P173 HydrophobicContact CB-CB 3.71Å; C24-R176 PolarHBondContact O-NH1 2.99Å |
| 25 | R | 97.9 | Very high | 98.4 | Very high | 225 Ų | 225 | 36.3 Ų | 36.3 | 85% | 0.849 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.5 | -38.9 | -177.4 | -170.6 | 179.5 | -178.3 | -176.2 | 1.7 | 112.6 | A21 A22 S27 | A21-R25 PolarHBondContact O-N 3.04Å; A21-R25 VanDerWaalsContact O-N 3.13Å; A22-R25 VanDerWaalsContact O-CB 3.32Å; A22-R25 WeakPolarHBondContact O-CB 3.39Å; A22-R25 PolarHBondContact O-N 2.9Å; A22-R25 VanDerWaalsContact O-N 3.15Å; R25-S27 PolarHBondContact O-N 2.74Å |
| 26 | N | 97.1 | Very high | 98.4 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -80 | 101.6 | 171.6 | -175.8 | -10 | 0 | 0 | 0 | 109.5 | C24 S28 A29 R176 | C24-N26 VanDerWaalsContact C-N 3.3Å; C24-N26 PolarHBondContact O-N 3.28Å; N26-S28 PolarHBondContact O-N 3.28Å; N26-S28 PolarHBondContact OD1-N 3.1Å; N26-S28 VanDerWaalsContact OD1-N 3.14Å; N26-S28 PolarHBondContact OD1-OG 3.08Å; N26-A29 HydrophobicContact CB-CB 4.02Å; N26-A29 PolarHBondContact O-N 3.12Å; N26-A29 PolarHBondContact OD1-N 3.22Å; N26-R176 PolarHBondContact O-NH2 3.03Å |
| 27 | S | 96.1 | Very high | 98.4 | Very high | 86 Ų | 86 | 33.2 Ų | 33.2 | 60% | 0.601 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.9 | -176.3 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | R25 R176 | R25-S27 PolarHBondContact O-N 2.74Å; S27-R176 PolarHBondContact O-NH2 3.03Å |
| 28 | S | 96.2 | Very high | 98.4 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 63% | 0.629 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -10.4 | 178.3 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | N26 | N26-S28 PolarHBondContact O-N 3.28Å; N26-S28 PolarHBondContact OD1-N 3.1Å; N26-S28 VanDerWaalsContact OD1-N 3.14Å; N26-S28 PolarHBondContact OD1-OG 3.08Å |
| 29 | A | 98 | Very high | 98.4 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -71.2 | 142.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I2 N26 V31 R176 | I2-A29 HydrophobicContact CB-CB 4.26Å; I2-A29 HydrophobicContact CG2-CB 3.84Å; I2-A29 WeakPolarHBondContact O-CA 3.11Å; N26-A29 HydrophobicContact CB-CB 4.02Å; N26-A29 PolarHBondContact O-N 3.12Å; N26-A29 PolarHBondContact OD1-N 3.22Å; A29-V31 PolarHBondContact O-N 3.31Å; A29-R176 PolarHBondContact O-NH2 3.18Å |
| 30 | R | 98.3 | Very high | 98.4 | Very high | 95 Ų | 95 | 40 Ų | 40 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121.2 | 166.7 | -175.7 | 172.9 | 79.3 | 129.7 | -1.1 | 108.3 | M1 I2 T3 H4 N95 | M1-R30 HydrophobicContact SD-CB 4.31Å; I2-R30 PolarHBondContact O-N 3.31Å; T3-R30 CarbonylContact C-O 3.48Å; T3-R30 VanDerWaalsContact CA-O 3.31Å; T3-R30 WeakPolarHBondContact CA-O 3.09Å; T3-R30 HydrophobicContact CG2-CB 4.41Å; T3-R30 HydrophobicContact CG2-CG 4.5Å; T3-R30 PolarHBondContact OG1-NE 3.4Å; H4-R30 PolarHBondContact N-O 3.17Å; R30-N95 PolarHBondContact NH2-O 3.5Å |
| 31 | V | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.6 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 109 | H4 V6 A23 A29 I71 | H4-V31 HydrophobicContact CB-CG2 4.36Å; H4-V31 WeakPolarHBondContact O-CA 3.36Å; V6-V31 HydrophobicContact CG2-CG1 4.13Å; A23-V31 HydrophobicContact CB-CG1 4.49Å; A29-V31 PolarHBondContact O-N 3.31Å; V31-I71 HydrophobicContact CB-CG1 4.47Å; V31-I71 HydrophobicContact CG1-CD1 4.24Å; V31-I71 HydrophobicContact CG1-CG1 4.39Å; V31-I71 HydrophobicContact CG1-CG2 4.08Å |
| 32 | L | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 148 | 172.7 | -58.2 | 174.8 | 0 | 0 | 0 | 108.2 | T3 H4 L5 V6 P72 N95 | T3-L32 HydrophobicContact CG2-CD1 3.89Å; T3-L32 HydrophobicContact CG2-CG 4.27Å; H4-L32 PolarHBondContact O-N 3.44Å; L5-L32 CarbonylContact C-O 3.41Å; L5-L32 WeakPolarHBondContact CA-O 3.37Å; L5-L32 HydrophobicContact CD1-CB 3.73Å; V6-L32 PolarHBondContact N-O 3.03Å; L32-P72 HydrophobicContact CD2-CG 3.47Å; L32-P72 VanDerWaalsContact CD2-CG 3.47Å; L32-N95 HydrophobicContact CD1-CB 3.6Å |
| 33 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 148.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | V6 F8 L66 I71 P72 L73 L74 | V6-A33 CarbonylContact O-C 3.44Å; V6-A33 VanDerWaalsContact O-CA 3.32Å; V6-A33 WeakPolarHBondContact O-CA 3.47Å; F8-A33 HydrophobicContact CD2-CB 4.01Å; F8-A33 HydrophobicContact CE2-CB 3.84Å; A33-L66 HydrophobicContact CB-CD1 3.8Å; A33-I71 HydrophobicContact CB-CG2 4.1Å; A33-P72 PolarHBondContact N-O 3.3Å; A33-L73 HydrophobicContact CB-CD1 3.69Å; A33-L74 WeakPolarHBondContact O-CB 3.31Å; A33-L74 WeakPolarHBondContact O-CG 3.47Å; A33-L74 PolarHBondContact O-N 3.41Å |
| 34 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.3 | 174.6 | 172.1 | 62.5 | 0 | 0 | 0 | 109 | L5 V6 W7 F8 I36 L74 R76 V88 V91 | L5-L34 HydrophobicContact CD1-CB 3.93Å; L5-L34 HydrophobicContact CD2-CB 4.44Å; L5-L34 HydrophobicContact CD2-CD2 4.12Å; L5-L34 HydrophobicContact CG-CB 4.3Å; V6-L34 PolarHBondContact O-N 3.4Å; W7-L34 HydrophobicContact CG-CD2 4.46Å; F8-L34 PolarHBondContact N-O 3.06Å; L34-I36 HydrophobicContact CD1-CG1 3.95Å; L34-I36 HydrophobicContact CD2-CD1 4.08Å; L34-I36 HydrophobicContact CD2-CG1 4.19Å; L34-I36 HydrophobicContact CG-CD1 4.41Å; L34-I36 HydrophobicContact CG-CG1 3.96Å; L34-L74 WeakPolarHBondContact CA-O 3.41Å; L34-L74 HydrophobicContact CD1-CB 4.25Å; L34-L74 WeakPolarHBondContact CD1-O 3.44Å; L34-R76 HydrophobicContact CD1-CG 4.13Å; L34-V88 HydrophobicContact CD2-CG2 4.08Å; L34-V91 HydrophobicContact CD1-CG2 4.25Å; L34-V91 HydrophobicContact CD2-CB 4.44Å; L34-V91 HydrophobicContact CD2-CG1 4.38Å; L34-V91 HydrophobicContact CD2-CG2 4.48Å |
| 35 | Y | 98.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.6 | 164.8 | -177 | -92.1 | 0 | 0 | 0 | 109.5 | F8 L12 A37 I55 L59 L74 F75 R76 L189 | F8-Y35 HydrophobicContact CB-CD2 4.21Å; F8-Y35 WeakPolarHBondContact O-CD2 3.2Å; L12-Y35 HydrophobicContact CD2-CD2 3.89Å; L12-Y35 HydrophobicContact CD2-CE2 3.83Å; Y35-A37 HydrophobicContact CE1-CB 4.26Å; Y35-I55 VanDerWaalsContact OH-CG2 3.23Å; Y35-I55 WeakPolarHBondContact OH-CG2 3.38Å; Y35-L59 HydrophobicContact CD1-CD1 3.78Å; Y35-L59 HydrophobicContact CD1-CD2 3.58Å; Y35-L59 HydrophobicContact CD1-CG 4.35Å; Y35-L59 HydrophobicContact CD2-CD1 3.89Å; Y35-L59 HydrophobicContact CE1-CD1 4.24Å; Y35-L59 HydrophobicContact CE1-CD2 3.58Å; Y35-L59 HydrophobicContact CE2-CD1 4.35Å; Y35-L59 HydrophobicContact CG-CD1 3.56Å; Y35-L59 HydrophobicContact CG-CD2 4.26Å; Y35-L74 PolarHBondContact N-O 2.96Å; Y35-F75 AromaticContact CD1-CD2 3.87Å; Y35-F75 HydrophobicContact CD1-CD2 3.87Å; Y35-F75 AromaticContact CD1-CE2 3.86Å; Y35-F75 HydrophobicContact CD1-CE2 3.86Å; Y35-F75 HydrophobicContact CE1-CE2 4.22Å; Y35-R76 PolarHBondContact O-N 3.2Å; Y35-L189 HydrophobicContact CE1-CD2 4.3Å |
| 36 | I | 98.9 | Very high | 98.4 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114 | 179.7 | -50.7 | 177.5 | 0 | 0 | 0 | 108.3 | W7 L34 T38 R76 V78 I87 V88 | W7-I36 HydrophobicContact CZ2-CD1 3.92Å; L34-I36 HydrophobicContact CD1-CG1 3.95Å; L34-I36 HydrophobicContact CD2-CD1 4.08Å; L34-I36 HydrophobicContact CD2-CG1 4.19Å; L34-I36 HydrophobicContact CG-CD1 4.41Å; L34-I36 HydrophobicContact CG-CG1 3.96Å; I36-T38 HydrophobicContact CG2-CG2 4.21Å; I36-R76 CarbonylContact C-O 3.44Å; I36-R76 WeakPolarHBondContact CA-O 3.22Å; I36-R76 HydrophobicContact CG1-CB 4.49Å; I36-V78 HydrophobicContact CG2-CG2 3.7Å; I36-I87 HydrophobicContact CD1-CB 4.07Å; I36-I87 HydrophobicContact CD1-CG2 3.69Å; I36-I87 HydrophobicContact CG1-CG2 4.09Å; I36-V88 HydrophobicContact CD1-CG2 3.73Å |
| 37 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y35 W42 F75 R76 E77 V78 L189 | Y35-A37 HydrophobicContact CE1-CB 4.26Å; A37-W42 HydrophobicContact CB-CH2 3.53Å; A37-W42 HydrophobicContact CB-CZ2 4.1Å; A37-W42 HydrophobicContact CB-CZ3 4.27Å; A37-F75 HydrophobicContact CB-CE2 3.86Å; A37-F75 HydrophobicContact CB-CZ 3.86Å; A37-R76 PolarHBondContact N-O 2.91Å; A37-E77 HydrophobicContact CB-CB 4.22Å; A37-E77 HydrophobicContact CB-CG 4.04Å; A37-E77 WeakPolarHBondContact O-CA 3.44Å; A37-V78 PolarHBondContact O-N 3.46Å; A37-V78 VanDerWaalsContact O-O 3.14Å; A37-L189 HydrophobicContact CB-CD2 3.78Å |
| 38 | T | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | trans | -130.3 | 67.1 | 179 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | I36 R40 Q41 W42 V78 D79 F81 S84 | I36-T38 HydrophobicContact CG2-CG2 4.21Å; T38-R40 VanDerWaalsContact C-N 3.27Å; T38-R40 PolarHBondContact O-N 2.94Å; T38-Q41 PolarHBondContact O-N 2.7Å; T38-Q41 VanDerWaalsContact O-N 3.14Å; T38-W42 PolarHBondContact O-N 2.75Å; T38-W42 PolarHBondContact OG1-NE1 2.66Å; T38-V78 VanDerWaalsContact CA-O 3.31Å; T38-V78 WeakPolarHBondContact CA-O 3.46Å; T38-V78 HydrophobicContact CG2-CG2 4.02Å; T38-D79 CarbonylContact C-O 3.5Å; T38-F81 HydrophobicContact CG2-CD1 4.06Å; T38-F81 HydrophobicContact CG2-CE1 4.36Å; T38-S84 VanDerWaalsContact CG2-OG 3.3Å; T38-S84 WeakPolarHBondContact CG2-OG 3.39Å | ||
| 39 | P | 98.8 | Very high | 98.8 | Very high | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -34.1 | -168.7 | -26.5 | 36.8 | 0 | 0 | 0 | 114.5 | W42 A43 E77 V78 N190 Y191 | P39-W42 HydrophobicContact CB-CE3 4.4Å; P39-W42 HydrophobicContact CG-CE3 4.46Å; P39-W42 HydrophobicContact CG-CZ3 4.35Å; P39-W42 PolarHBondContact O-N 3.4Å; P39-A43 PolarHBondContact O-N 2.7Å; P39-E77 HydrophobicContact CG-CG 4Å; P39-V78 WeakPolarHBondContact CD-O 3.45Å; P39-N190 VanDerWaalsContact CB-O 3.28Å; P39-N190 WeakPolarHBondContact CB-O 3.21Å; P39-N190 WeakPolarHBondContact CG-O 3.41Å; P39-Y191 HydrophobicContact CB-CD2 4.13Å |
| 40 | R | 98.8 | Very high | 98.8 | Very high | 161 Ų | 161 | 32.4 Ų | 32.4 | 61% | 0.608 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -72.9 | -40.5 | 179.1 | -167.5 | 178.8 | -177.5 | 166 | -0.3 | 111.6 | T38 W42 A43 T44 D79 | T38-R40 VanDerWaalsContact C-N 3.27Å; T38-R40 PolarHBondContact O-N 2.94Å; R40-W42 VanDerWaalsContact C-N 3.34Å; R40-A43 PolarHBondContact O-N 3.15Å; R40-T44 PolarHBondContact O-N 3.33Å; R40-T44 VanDerWaalsContact O-N 3.08Å; R40-T44 PolarHBondContact O-OG1 2.99Å; R40-D79 HydrophobicContact CB-CB 4.08Å; R40-D79 VanDerWaalsContact CB-O 3.26Å; R40-D79 WeakPolarHBondContact CB-O 3.16Å; R40-D79 WeakPolarHBondContact CD-OD2 3.45Å; R40-D79 PolarHBondContact N-O 3.03Å; R40-D79 VanDerWaalsContact N-O 3.17Å; R40-D79 IonicContact NH1-OD2 3.08Å; R40-D79 PolarHBondContact NH1-OD2 3.28Å; R40-D79 VanDerWaalsContact NH1-OD2 3.08Å |
| 41 | Q | 98.8 | Very high | 98.8 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 12% | 0.121 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 171.7 | -174.3 | 68.2 | 53 | 0 | 0 | 111.7 | T38 A43 T44 H45 D79 D80 F81 | T38-Q41 PolarHBondContact O-N 2.7Å; T38-Q41 VanDerWaalsContact O-N 3.14Å; Q41-A43 VanDerWaalsContact C-N 3.3Å; Q41-A43 PolarHBondContact O-N 2.9Å; Q41-T44 WeakPolarHBondContact O-CB 3.35Å; Q41-T44 PolarHBondContact O-N 2.9Å; Q41-T44 VanDerWaalsContact O-N 3.14Å; Q41-H45 PolarHBondContact NE2-CD2 2.81Å; Q41-H45 PolarHBondContact NE2-CE1 3.24Å; Q41-H45 PolarHBondContact NE2-NE2 3.14Å; Q41-H45 PolarHBondContact O-N 3.15Å; Q41-D79 PolarHBondContact N-O 3.23Å; Q41-D79 VanDerWaalsContact N-O 3.08Å; Q41-D80 HydrophobicContact CB-CB 4.23Å; Q41-F81 HydrophobicContact CB-CD1 4.45Å; Q41-F81 HydrophobicContact CB-CE1 4.44Å; Q41-F81 HydrophobicContact CG-CD1 3.87Å; Q41-F81 HydrophobicContact CG-CD2 3.91Å; Q41-F81 HydrophobicContact CG-CE1 3.74Å; Q41-F81 HydrophobicContact CG-CE2 3.78Å; Q41-F81 HydrophobicContact CG-CG 3.94Å; Q41-F81 HydrophobicContact CG-CZ 3.68Å |
| 42 | W | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 177 | -60.7 | -18.8 | 0 | 0 | 0 | 112.1 | A37 T38 P39 R40 H45 N46 M47 L189 Y191 | A37-W42 HydrophobicContact CB-CH2 3.53Å; A37-W42 HydrophobicContact CB-CZ2 4.1Å; A37-W42 HydrophobicContact CB-CZ3 4.27Å; T38-W42 PolarHBondContact O-N 2.75Å; T38-W42 PolarHBondContact OG1-NE1 2.66Å; P39-W42 HydrophobicContact CB-CE3 4.4Å; P39-W42 HydrophobicContact CG-CE3 4.46Å; P39-W42 HydrophobicContact CG-CZ3 4.35Å; P39-W42 PolarHBondContact O-N 3.4Å; R40-W42 VanDerWaalsContact C-N 3.34Å; W42-H45 CarbonylContact O-C 3.52Å; W42-H45 PolarHBondContact O-N 3.3Å; W42-N46 PolarHBondContact O-N 3.44Å; W42-N46 VanDerWaalsContact O-N 3.09Å; W42-M47 HydrophobicContact CB-CB 3.92Å; W42-M47 HydrophobicContact CB-CE 3.97Å; W42-M47 HydrophobicContact CB-SD 3.96Å; W42-M47 VanDerWaalsContact CD1-CE 3.47Å; W42-M47 HydrophobicContact CD2-CE 3.84Å; W42-M47 HydrophobicContact CD2-SD 3.9Å; W42-M47 HydrophobicContact CE3-SD 4.13Å; W42-M47 HydrophobicContact CG-CE 3.49Å; W42-M47 VanDerWaalsContact CG-CE 3.49Å; W42-M47 HydrophobicContact CG-SD 3.84Å; W42-M47 WeakPolarHBondContact O-CB 3.31Å; W42-M47 PolarHBondContact O-N 2.89Å; W42-L189 HydrophobicContact CH2-CD1 3.86Å; W42-L189 HydrophobicContact CH2-CD2 4Å; W42-L189 HydrophobicContact CH2-CG 4.44Å; W42-L189 HydrophobicContact CZ3-CB 4.42Å; W42-L189 HydrophobicContact CZ3-CD1 3.96Å; W42-L189 HydrophobicContact CZ3-CD2 4.39Å; W42-L189 HydrophobicContact CZ3-CG 4.49Å; W42-Y191 HydrophobicContact CB-CD2 4.28Å; W42-Y191 HydrophobicContact CB-CE2 3.92Å; W42-Y191 HydrophobicContact CE3-CD2 4.19Å; W42-Y191 HydrophobicContact CE3-CG 4.14Å |
| 43 | A | 98.7 | Very high | 98.8 | Very high | 51 Ų | 51 | 30.1 Ų | 30.1 | 42% | 0.421 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P39 R40 Q41 H45 N46 Y191 | P39-A43 PolarHBondContact O-N 2.7Å; R40-A43 PolarHBondContact O-N 3.15Å; Q41-A43 VanDerWaalsContact C-N 3.3Å; Q41-A43 PolarHBondContact O-N 2.9Å; A43-H45 PolarHBondContact O-N 3.18Å; A43-N46 PolarHBondContact O-N 2.76Å; A43-Y191 HydrophobicContact CB-CE2 4.06Å |
| 44 | T | 98.6 | Very high | 98.8 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 61% | 0.613 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -62.9 | -31.1 | 174.8 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | R40 Q41 N46 | R40-T44 PolarHBondContact O-N 3.33Å; R40-T44 VanDerWaalsContact O-N 3.08Å; R40-T44 PolarHBondContact O-OG1 2.99Å; Q41-T44 WeakPolarHBondContact O-CB 3.35Å; Q41-T44 PolarHBondContact O-N 2.9Å; Q41-T44 VanDerWaalsContact O-N 3.14Å; T44-N46 VanDerWaalsContact C-N 3.29Å |
| 45 | H | 98.8 | Very high | 98.8 | Very high | 54 Ų | 54 | 30.3 Ų | 30.3 | 25% | 0.25 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 6.1 | 174.8 | -68.6 | 174.3 | 0 | 0 | 0 | 114 | Q41 W42 A43 M47 F81 N109 E110 M368 | Q41-H45 PolarHBondContact NE2-CD2 2.81Å; Q41-H45 PolarHBondContact NE2-CE1 3.24Å; Q41-H45 PolarHBondContact NE2-NE2 3.14Å; Q41-H45 PolarHBondContact O-N 3.15Å; W42-H45 CarbonylContact O-C 3.52Å; W42-H45 PolarHBondContact O-N 3.3Å; A43-H45 PolarHBondContact O-N 3.18Å; H45-M47 VanDerWaalsContact C-N 3.26Å; H45-M47 PolarHBondContact O-N 3.1Å; H45-F81 AromaticContact CE1-CE2 3.84Å; H45-N109 PolarHBondContact NE2-OD1 3.24Å; H45-E110 IonicContact CE1-OE1 3.18Å; H45-E110 PolarHBondContact CE1-OE1 2.97Å; H45-E110 IonicContact CE1-OE2 3.87Å; H45-E110 IonicContact ND1-OE1 3.86Å; H45-M368 WeakPolarHBondContact O-CG 3.29Å |
| 46 | N | 98.7 | Very high | 98.8 | Very high | 59 Ų | 59 | 30.4 Ų | 30.4 | 32% | 0.316 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34.9 | -179.7 | -57.5 | 106.6 | 0 | 0 | 0 | 113.7 | W42 A43 T44 S48 M368 S369 | W42-N46 PolarHBondContact O-N 3.44Å; W42-N46 VanDerWaalsContact O-N 3.09Å; A43-N46 PolarHBondContact O-N 2.76Å; T44-N46 VanDerWaalsContact C-N 3.29Å; N46-S48 PolarHBondContact O-N 3.33Å; N46-M368 HydrophobicContact CB-CB 4.16Å; N46-M368 HydrophobicContact CB-CG 4.06Å; N46-M368 CarbonylContact O-C 3.48Å; N46-S369 VanDerWaalsContact O-CA 3.29Å; N46-S369 WeakPolarHBondContact O-CA 3.39Å; N46-S369 PolarHBondContact O-N 2.86Å |
| 47 | M | 98.9 | Very high | 98.8 | Very high | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | trans | -55.9 | 128.1 | 179.3 | -179 | -179 | -73 | 0 | 0 | 111.2 | W42 H45 Q51 A52 I55 Y191 | W42-M47 HydrophobicContact CB-CB 3.92Å; W42-M47 HydrophobicContact CB-CE 3.97Å; W42-M47 HydrophobicContact CB-SD 3.96Å; W42-M47 VanDerWaalsContact CD1-CE 3.47Å; W42-M47 HydrophobicContact CD2-CE 3.84Å; W42-M47 HydrophobicContact CD2-SD 3.9Å; W42-M47 HydrophobicContact CE3-SD 4.13Å; W42-M47 HydrophobicContact CG-CE 3.49Å; W42-M47 VanDerWaalsContact CG-CE 3.49Å; W42-M47 HydrophobicContact CG-SD 3.84Å; W42-M47 WeakPolarHBondContact O-CB 3.31Å; W42-M47 PolarHBondContact O-N 2.89Å; H45-M47 VanDerWaalsContact C-N 3.26Å; H45-M47 PolarHBondContact O-N 3.1Å; M47-Q51 HydrophobicContact CG-CB 4.46Å; M47-A52 HydrophobicContact SD-CB 4.02Å; M47-I55 HydrophobicContact CE-CD1 3.95Å; M47-I55 HydrophobicContact SD-CD1 4.09Å; M47-Y191 HydrophobicContact CB-CE1 4.4Å; M47-Y191 PolarHBondContact O-OH 2.88Å | ||
| 48 | S | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | trans | -59.8 | 136.5 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | N46 R50 Q51 A52 M368 S369 Q370 L371 | N46-S48 PolarHBondContact O-N 3.33Å; S48-R50 PolarHBondContact O-N 3.28Å; S48-R50 PolarHBondContact OG-N 3.32Å; S48-R50 VanDerWaalsContact OG-N 3.17Å; S48-Q51 PolarHBondContact O-N 3.07Å; S48-Q51 VanDerWaalsContact O-N 3.09Å; S48-A52 PolarHBondContact O-N 3.07Å; S48-M368 PolarHBondContact N-O 2.79Å; S48-S369 WeakPolarHBondContact CA-O 3.46Å; S48-Q370 VanDerWaalsContact OG-C 3.3Å; S48-Q370 PolarHBondContact OG-O 2.98Å; S48-L371 WeakPolarHBondContact CB-O 3.3Å | ||
| 49 | P | 98.9 | Very high | 98.8 | Very high | 26 Ų | 26 | 31.3 Ų | 31.3 | 17% | 0.169 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.1 | -30.1 | 171.4 | -26.8 | 35.3 | 0 | 0 | 0 | 114 | E53 P192 R193 Q194 S369 | P49-E53 PolarHBondContact O-N 3.29Å; P49-E53 VanDerWaalsContact O-N 3.12Å; P49-P192 VanDerWaalsContact CA-O 3.29Å; P49-P192 WeakPolarHBondContact CA-O 3.39Å; P49-P192 WeakPolarHBondContact CB-O 3.2Å; P49-R193 WeakPolarHBondContact O-CA 3.39Å; P49-Q194 HydrophobicContact CB-CB 4.06Å; P49-Q194 HydrophobicContact CB-CG 3.83Å; P49-Q194 PolarHBondContact O-N 3.15Å; P49-Q194 VanDerWaalsContact O-N 3.13Å; P49-S369 WeakPolarHBondContact CD-O 3.4Å |
| 50 | R | 98.9 | Very high | 98.8 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 6% | 0.064 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.9 | -37.2 | 177 | -68.4 | -177.6 | -179.2 | 94.5 | -5.6 | 112 | S48 E53 L54 Q194 S195 F196 N335 S336 T337 I372 | S48-R50 PolarHBondContact O-N 3.28Å; S48-R50 PolarHBondContact OG-N 3.32Å; S48-R50 VanDerWaalsContact OG-N 3.17Å; R50-E53 PolarHBondContact O-N 3.37Å; R50-L54 PolarHBondContact O-N 3.42Å; R50-Q194 HydrophobicContact CG-CB 3.95Å; R50-S195 PolarHBondContact NE-O 3.24Å; R50-F196 HydrophobicContact CB-CD1 4.23Å; R50-F196 WeakPolarHBondContact O-CE1 3.3Å; R50-N335 PolarHBondContact NH1-O 3.31Å; R50-N335 PolarHBondContact NH2-O 3.41Å; R50-S336 PolarHBondContact NH2-O 2.97Å; R50-T337 WeakPolarHBondContact CD-O 3.48Å; R50-I372 HydrophobicContact CB-CB 4.23Å; R50-I372 HydrophobicContact CB-CG1 4.25Å |
| 51 | Q | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 26 Ų | 26 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 172.6 | -173.2 | 176.4 | 85.8 | 0 | 0 | 110.9 | M47 S48 E53 L54 I55 T244 I372 G374 | M47-Q51 HydrophobicContact CG-CB 4.46Å; S48-Q51 PolarHBondContact O-N 3.07Å; S48-Q51 VanDerWaalsContact O-N 3.09Å; Q51-E53 VanDerWaalsContact C-N 3.28Å; Q51-E53 PolarHBondContact O-N 3.33Å; Q51-L54 WeakPolarHBondContact O-CB 3.19Å; Q51-L54 PolarHBondContact O-N 3.45Å; Q51-L54 VanDerWaalsContact O-N 3.14Å; Q51-I55 HydrophobicContact CG-CD1 4.07Å; Q51-I55 HydrophobicContact CG-CG1 4.45Å; Q51-I55 WeakPolarHBondContact O-CG1 3.29Å; Q51-I55 PolarHBondContact O-N 3.01Å; Q51-T244 HydrophobicContact CG-CG2 3.84Å; Q51-I372 WeakPolarHBondContact CG-O 3.34Å; Q51-I372 PolarHBondContact NE2-O 3.15Å; Q51-G374 PolarHBondContact NE2-O 3.05Å |
| 52 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M47 S48 N56 Y191 R193 | M47-A52 HydrophobicContact SD-CB 4.02Å; S48-A52 PolarHBondContact O-N 3.07Å; A52-N56 WeakPolarHBondContact O-CB 3.44Å; A52-N56 PolarHBondContact O-N 2.9Å; A52-Y191 HydrophobicContact CB-CD1 3.41Å; A52-Y191 VanDerWaalsContact CB-CD1 3.41Å; A52-Y191 HydrophobicContact CB-CE1 3.9Å; A52-Y191 HydrophobicContact CB-CG 4.41Å; A52-R193 HydrophobicContact CB-CG 3.92Å |
| 53 | E | 98.9 | Very high | 98.8 | Very high | 53 Ų | 53 | 24.7 Ų | 24.7 | 25% | 0.248 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 173.5 | -176.7 | 58 | -165.7 | 0 | 0 | 112.2 | P49 R50 Q51 N56 A57 R193 Q194 F196 | P49-E53 PolarHBondContact O-N 3.29Å; P49-E53 VanDerWaalsContact O-N 3.12Å; R50-E53 PolarHBondContact O-N 3.37Å; Q51-E53 VanDerWaalsContact C-N 3.28Å; Q51-E53 PolarHBondContact O-N 3.33Å; E53-N56 PolarHBondContact O-N 3.48Å; E53-A57 PolarHBondContact O-N 2.97Å; E53-R193 HydrophobicContact CB-CB 4.07Å; E53-R193 HydrophobicContact CB-CG 4.26Å; E53-R193 WeakPolarHBondContact OE2-CB 3.33Å; E53-R193 VanDerWaalsContact OE2-CD 3.28Å; E53-R193 WeakPolarHBondContact OE2-CD 3.4Å; E53-R193 IonicContact OE2-CZ 3.83Å; E53-R193 IonicContact OE2-NE 2.7Å; E53-R193 IonicContact OE2-NH1 2.78Å; E53-R193 PolarHBondContact OE2-NH1 3.23Å; E53-Q194 VanDerWaalsContact CB-O 3.29Å; E53-Q194 WeakPolarHBondContact CB-O 3.25Å; E53-F196 HydrophobicContact CB-CD1 4.47Å; E53-F196 HydrophobicContact CB-CE1 4Å; E53-F196 HydrophobicContact CG-CD1 4.47Å; E53-F196 HydrophobicContact CG-CE1 3.92Å |
| 54 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 174.7 | 175.5 | 60.7 | 0 | 0 | 0 | 111.3 | R50 Q51 A57 Q58 F196 V203 A240 T244 I372 | R50-L54 PolarHBondContact O-N 3.42Å; Q51-L54 WeakPolarHBondContact O-CB 3.19Å; Q51-L54 PolarHBondContact O-N 3.45Å; Q51-L54 VanDerWaalsContact O-N 3.14Å; L54-A57 PolarHBondContact O-N 3.25Å; L54-Q58 HydrophobicContact CD1-CG 4.08Å; L54-Q58 WeakPolarHBondContact O-CB 3.13Å; L54-Q58 WeakPolarHBondContact O-CG 3.45Å; L54-Q58 PolarHBondContact O-N 3.08Å; L54-F196 HydrophobicContact CB-CE1 3.88Å; L54-F196 HydrophobicContact CB-CZ 3.8Å; L54-F196 HydrophobicContact CD1-CE2 4.35Å; L54-F196 HydrophobicContact CD1-CZ 3.88Å; L54-F196 HydrophobicContact CG-CZ 4.43Å; L54-V203 HydrophobicContact CD1-CG1 3.94Å; L54-A240 HydrophobicContact CD2-CB 3.7Å; L54-T244 HydrophobicContact CD2-CG2 3.9Å; L54-T244 HydrophobicContact CG-CG2 4.37Å; L54-I372 HydrophobicContact CB-CD1 4.49Å; L54-I372 HydrophobicContact CB-CG1 4.46Å; L54-I372 HydrophobicContact CD2-CD1 4.26Å; L54-I372 HydrophobicContact CD2-CG1 4.08Å |
| 55 | I | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.2 | -68.8 | 170.8 | 0 | 0 | 0 | 110.2 | L12 Y35 M47 Q51 A57 Q58 L59 L189 T244 | L12-I55 HydrophobicContact CD1-CG2 3.93Å; Y35-I55 VanDerWaalsContact OH-CG2 3.23Å; Y35-I55 WeakPolarHBondContact OH-CG2 3.38Å; M47-I55 HydrophobicContact CE-CD1 3.95Å; M47-I55 HydrophobicContact SD-CD1 4.09Å; Q51-I55 HydrophobicContact CG-CD1 4.07Å; Q51-I55 HydrophobicContact CG-CG1 4.45Å; Q51-I55 WeakPolarHBondContact O-CG1 3.29Å; Q51-I55 PolarHBondContact O-N 3.01Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 3.31Å; I55-Q58 PolarHBondContact O-N 2.88Å; I55-L59 WeakPolarHBondContact O-CB 3.26Å; I55-L59 PolarHBondContact O-N 3.12Å; I55-L189 HydrophobicContact CB-CD1 4.45Å; I55-L189 HydrophobicContact CG2-CD1 3.9Å; I55-T244 HydrophobicContact CD1-CG2 4.37Å; I55-T244 HydrophobicContact CG1-CG2 3.86Å |
| 56 | N | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 20 Ų | 20 | 6% | 0.059 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.4 | -174.9 | 84.9 | 0 | 0 | 0 | 111.8 | A52 E53 N60 L189 R193 | A52-N56 WeakPolarHBondContact O-CB 3.44Å; A52-N56 PolarHBondContact O-N 2.9Å; E53-N56 PolarHBondContact O-N 3.48Å; N56-N60 PolarHBondContact O-N 3.32Å; N56-N60 PolarHBondContact O-ND2 3.39Å; N56-L189 HydrophobicContact CB-CD1 3.9Å; N56-L189 HydrophobicContact CB-CG 4.06Å; N56-L189 WeakPolarHBondContact OD1-CG 3.43Å; N56-L189 PolarHBondContact OD1-N 3.28Å; N56-R193 PolarHBondContact ND2-NH1 3.21Å |
| 57 | A | 98.8 | Very high | 98.8 | Very high | 27 Ų | 27 | 17.4 Ų | 17.4 | 22% | 0.223 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.5 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E53 L54 I55 L59 N60 G61 V203 | E53-A57 PolarHBondContact O-N 2.97Å; L54-A57 PolarHBondContact O-N 3.25Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 3.31Å; A57-L59 VanDerWaalsContact C-N 3.34Å; A57-L59 PolarHBondContact O-N 3.49Å; A57-N60 PolarHBondContact O-N 3.42Å; A57-G61 PolarHBondContact O-N 3.48Å; A57-V203 HydrophobicContact CB-CB 3.85Å; A57-V203 HydrophobicContact CB-CG1 3.79Å; A57-V203 HydrophobicContact CB-CG2 4.47Å |
| 58 | Q | 98.8 | Very high | 98.8 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.5 | -74.9 | 173.8 | -18.2 | 0 | 0 | 112.2 | L12 L54 I55 G61 L62 T244 | L12-Q58 HydrophobicContact CB-CB 4.04Å; L12-Q58 HydrophobicContact CD1-CB 3.92Å; L54-Q58 HydrophobicContact CD1-CG 4.08Å; L54-Q58 WeakPolarHBondContact O-CB 3.13Å; L54-Q58 WeakPolarHBondContact O-CG 3.45Å; L54-Q58 PolarHBondContact O-N 3.08Å; I55-Q58 PolarHBondContact O-N 2.88Å; Q58-G61 PolarHBondContact O-N 3.39Å; Q58-L62 VanDerWaalsContact O-CB 3.31Å; Q58-L62 WeakPolarHBondContact O-CB 3.23Å; Q58-L62 PolarHBondContact O-N 3.45Å; Q58-T244 PolarHBondContact NE2-OG1 2.97Å; Q58-T244 VanDerWaalsContact NE2-OG1 3.17Å; Q58-T244 PolarHBondContact OE1-OG1 3.1Å |
| 59 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.9 | -178.2 | 63.1 | 0 | 0 | 0 | 111.8 | L12 Y35 I55 A57 L62 Q63 L73 F75 I187 L189 | L12-L59 HydrophobicContact CD1-CB 4.26Å; L12-L59 HydrophobicContact CD2-CD1 4.31Å; Y35-L59 HydrophobicContact CD1-CD1 3.78Å; Y35-L59 HydrophobicContact CD1-CD2 3.58Å; Y35-L59 HydrophobicContact CD1-CG 4.35Å; Y35-L59 HydrophobicContact CD2-CD1 3.89Å; Y35-L59 HydrophobicContact CE1-CD1 4.24Å; Y35-L59 HydrophobicContact CE1-CD2 3.58Å; Y35-L59 HydrophobicContact CE2-CD1 4.35Å; Y35-L59 HydrophobicContact CG-CD1 3.56Å; Y35-L59 HydrophobicContact CG-CD2 4.26Å; I55-L59 WeakPolarHBondContact O-CB 3.26Å; I55-L59 PolarHBondContact O-N 3.12Å; A57-L59 VanDerWaalsContact C-N 3.34Å; A57-L59 PolarHBondContact O-N 3.49Å; L59-L62 PolarHBondContact O-N 3.43Å; L59-Q63 WeakPolarHBondContact O-CB 3.35Å; L59-Q63 PolarHBondContact O-N 3.46Å; L59-L73 HydrophobicContact CD1-CD2 3.81Å; L59-F75 HydrophobicContact CD2-CD2 4.2Å; L59-F75 HydrophobicContact CD2-CE2 4.11Å; L59-I187 HydrophobicContact CD2-CB 4.29Å; L59-I187 HydrophobicContact CD2-CD1 3.96Å; L59-I187 HydrophobicContact CD2-CG2 3.82Å; L59-I187 HydrophobicContact CG-CD1 3.96Å; L59-L189 HydrophobicContact CD2-CD2 4.09Å |
| 60 | N | 98.7 | Very high | 98.8 | Very high | 27 Ų | 27 | 23.4 Ų | 23.4 | 14% | 0.144 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 175.9 | -74.8 | -37.5 | 0 | 0 | 0 | 111.9 | N56 A57 L62 Q63 I64 I187 | N56-N60 PolarHBondContact O-N 3.32Å; N56-N60 PolarHBondContact O-ND2 3.39Å; A57-N60 PolarHBondContact O-N 3.42Å; N60-L62 VanDerWaalsContact C-N 3.35Å; N60-L62 PolarHBondContact O-N 2.79Å; N60-Q63 PolarHBondContact O-N 3.04Å; N60-I64 PolarHBondContact O-N 3.13Å; N60-I187 PolarHBondContact ND2-O 2.88Å; N60-I187 PolarHBondContact OD1-N 3.23Å; N60-I187 PolarHBondContact OD1-O 3.08Å |
| 61 | G | 98.6 | Very high | 98.8 | Very high | 40 Ų | 40 | 22.6 Ų | 22.6 | 41% | 0.412 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A57 Q58 I64 A65 | A57-G61 PolarHBondContact O-N 3.48Å; Q58-G61 PolarHBondContact O-N 3.39Å; G61-I64 PolarHBondContact O-N 3.36Å; G61-A65 WeakPolarHBondContact O-CB 3.08Å; G61-A65 PolarHBondContact O-N 3.47Å |
| 62 | L | 98.7 | Very high | 98.7 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.9 | 179.2 | 68.7 | 0 | 0 | 0 | 111.6 | F8 L12 L14 Q58 L59 N60 I64 A65 L66 | F8-L62 HydrophobicContact CD1-CD2 3.72Å; F8-L62 HydrophobicContact CD2-CD2 4.42Å; F8-L62 HydrophobicContact CE1-CD1 4.16Å; F8-L62 HydrophobicContact CE1-CD2 3.85Å; F8-L62 HydrophobicContact CG-CD2 4.01Å; F8-L62 HydrophobicContact CZ-CD1 4.32Å; F8-L62 HydrophobicContact CZ-CD2 4.26Å; L12-L62 HydrophobicContact CB-CD2 4.35Å; L12-L62 HydrophobicContact CD2-CD2 3.88Å; L14-L62 HydrophobicContact CD2-CD1 3.85Å; L14-L62 HydrophobicContact CG-CD1 4.36Å; Q58-L62 VanDerWaalsContact O-CB 3.31Å; Q58-L62 WeakPolarHBondContact O-CB 3.23Å; Q58-L62 PolarHBondContact O-N 3.45Å; L59-L62 PolarHBondContact O-N 3.43Å; N60-L62 VanDerWaalsContact C-N 3.35Å; N60-L62 PolarHBondContact O-N 2.79Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 2.82Å; L62-A65 PolarHBondContact O-N 2.84Å; L62-L66 HydrophobicContact CD1-CD1 4.06Å; L62-L66 HydrophobicContact CD1-CD2 4.49Å; L62-L66 HydrophobicContact CD1-CG 3.93Å; L62-L66 HydrophobicContact CD2-CD1 4.22Å; L62-L66 HydrophobicContact CG-CD1 3.75Å; L62-L66 HydrophobicContact CG-CG 4.08Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 3.13Å |
| 63 | Q | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 178.3 | -174.7 | -176.3 | 48 | 0 | 0 | 111.5 | L59 N60 A67 L73 A184 P185 | L59-Q63 WeakPolarHBondContact O-CB 3.35Å; L59-Q63 PolarHBondContact O-N 3.46Å; N60-Q63 PolarHBondContact O-N 3.04Å; Q63-A67 WeakPolarHBondContact O-CB 3.44Å; Q63-A67 PolarHBondContact O-N 2.77Å; Q63-A67 VanDerWaalsContact O-N 3.11Å; Q63-L73 HydrophobicContact CB-CD2 3.95Å; Q63-L73 HydrophobicContact CG-CB 4.41Å; Q63-L73 HydrophobicContact CG-CD2 4.27Å; Q63-A184 PolarHBondContact OE1-O 3.48Å; Q63-P185 PolarHBondContact NE2-O 3.43Å; Q63-P185 PolarHBondContact OE1-O 2.98Å |
| 64 | I | 98.7 | Very high | 98.7 | Very high | 87 Ų | 87 | 24.6 Ų | 24.6 | 45% | 0.446 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64 | -49.2 | 176.3 | -64.8 | 168.8 | 0 | 0 | 0 | 110.3 | N60 G61 L62 L66 A67 E68 P183 | N60-I64 PolarHBondContact O-N 3.13Å; G61-I64 PolarHBondContact O-N 3.36Å; L62-I64 VanDerWaalsContact C-N 3.32Å; L62-I64 PolarHBondContact O-N 2.82Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.04Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 3.02Å; I64-A67 VanDerWaalsContact O-N 3.13Å; I64-E68 PolarHBondContact O-N 3.03Å; I64-E68 VanDerWaalsContact O-N 3.08Å; I64-P183 HydrophobicContact CG1-CB 4.48Å |
| 65 | A | 98.6 | Very high | 98.7 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L14 G61 L62 K69 | L14-A65 HydrophobicContact CD1-CB 3.59Å; L14-A65 HydrophobicContact CG-CB 4.07Å; G61-A65 WeakPolarHBondContact O-CB 3.08Å; G61-A65 PolarHBondContact O-N 3.47Å; L62-A65 PolarHBondContact O-N 2.84Å; A65-K69 WeakPolarHBondContact O-CG 3.33Å; A65-K69 PolarHBondContact O-N 3.24Å |
| 66 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 173.5 | -75.5 | 173.5 | 0 | 0 | 0 | 111.7 | F8 L14 L20 A33 L62 I64 E68 K69 G70 I71 L73 | F8-L66 HydrophobicContact CE2-CD1 4.23Å; F8-L66 HydrophobicContact CZ-CD2 4.49Å; L14-L66 HydrophobicContact CD2-CD2 3.52Å; L14-L66 HydrophobicContact CD2-CG 4Å; L20-L66 HydrophobicContact CD1-CD2 4.3Å; A33-L66 HydrophobicContact CB-CD1 3.8Å; L62-L66 HydrophobicContact CD1-CD1 4.06Å; L62-L66 HydrophobicContact CD1-CD2 4.49Å; L62-L66 HydrophobicContact CD1-CG 3.93Å; L62-L66 HydrophobicContact CD2-CD1 4.22Å; L62-L66 HydrophobicContact CG-CD1 3.75Å; L62-L66 HydrophobicContact CG-CG 4.08Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 3.13Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.04Å; L66-E68 VanDerWaalsContact C-N 3.35Å; L66-E68 PolarHBondContact O-N 2.98Å; L66-K69 CarbonylContact O-C 3.27Å; L66-K69 WeakPolarHBondContact O-CA 3.44Å; L66-K69 WeakPolarHBondContact O-CB 3.28Å; L66-K69 PolarHBondContact O-N 3.14Å; L66-G70 PolarHBondContact O-N 2.95Å; L66-G70 VanDerWaalsContact O-N 3.09Å; L66-I71 CarbonylContact C-O 3.5Å; L66-I71 VanDerWaalsContact C-O 3.27Å; L66-I71 HydrophobicContact CB-CB 4.25Å; L66-I71 WeakPolarHBondContact CB-O 3.43Å; L66-I71 HydrophobicContact CD2-CB 4.04Å; L66-I71 HydrophobicContact CD2-CD1 4.12Å; L66-I71 HydrophobicContact CD2-CG2 4.05Å; L66-I71 PolarHBondContact O-N 3.15Å; L66-L73 HydrophobicContact CD1-CB 4.2Å; L66-L73 HydrophobicContact CD1-CD1 4.3Å |
| 67 | A | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q63 I64 K69 G70 I181 P183 | Q63-A67 WeakPolarHBondContact O-CB 3.44Å; Q63-A67 PolarHBondContact O-N 2.77Å; Q63-A67 VanDerWaalsContact O-N 3.11Å; I64-A67 WeakPolarHBondContact O-CB 3.49Å; I64-A67 PolarHBondContact O-N 3.02Å; I64-A67 VanDerWaalsContact O-N 3.13Å; A67-K69 PolarHBondContact O-N 3.31Å; A67-G70 PolarHBondContact O-N 3.35Å; A67-I181 HydrophobicContact CB-CG1 3.97Å; A67-I181 WeakPolarHBondContact CB-O 3.4Å; A67-I181 PolarHBondContact O-N 3.09Å; A67-P183 HydrophobicContact CB-CB 3.83Å |
| 68 | E | 98.5 | Very high | 98.7 | Very high | 113 Ų | 113 | 34.4 Ų | 34.4 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.4 | -31.6 | 171.4 | -67.8 | 179.4 | -179.7 | 0 | 0 | 112.4 | I64 L66 G70 S180 | I64-E68 PolarHBondContact O-N 3.03Å; I64-E68 VanDerWaalsContact O-N 3.08Å; L66-E68 VanDerWaalsContact C-N 3.35Å; L66-E68 PolarHBondContact O-N 2.98Å; E68-G70 VanDerWaalsContact C-N 3.33Å; E68-S180 WeakPolarHBondContact O-CB 3.45Å; E68-S180 PolarHBondContact O-OG 3.26Å |
| 69 | K | 98.6 | Very high | 98.7 | Very high | 51 Ų | 51 | 38 Ų | 38 | 22% | 0.222 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.5 | 174.4 | -58.7 | -50.9 | -179.7 | -177 | 0 | 113.9 | L14 A65 L66 A67 I71 P173 V175 R176 | L14-K69 HydrophobicContact CD1-CG 4.14Å; A65-K69 WeakPolarHBondContact O-CG 3.33Å; A65-K69 PolarHBondContact O-N 3.24Å; L66-K69 CarbonylContact O-C 3.27Å; L66-K69 WeakPolarHBondContact O-CA 3.44Å; L66-K69 WeakPolarHBondContact O-CB 3.28Å; L66-K69 PolarHBondContact O-N 3.14Å; A67-K69 PolarHBondContact O-N 3.31Å; K69-I71 HydrophobicContact CB-CD1 4.2Å; K69-I71 HydrophobicContact CB-CG1 4.31Å; K69-P173 VanDerWaalsContact CD-O 3.3Å; K69-P173 WeakPolarHBondContact CD-O 3.48Å; K69-P173 VanDerWaalsContact CE-O 3.25Å; K69-P173 WeakPolarHBondContact CE-O 3.49Å; K69-P173 HydrophobicContact CG-CG 4.49Å; K69-V175 HydrophobicContact CD-CG2 4.25Å; K69-V175 WeakPolarHBondContact O-CA 3.41Å; K69-R176 VanDerWaalsContact O-CG 3.3Å; K69-R176 WeakPolarHBondContact O-CG 3.36Å; K69-R176 PolarHBondContact O-N 2.97Å |
| 70 | G | 98.6 | Very high | 98.7 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 26.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L66 A67 E68 G179 | L66-G70 PolarHBondContact O-N 2.95Å; L66-G70 VanDerWaalsContact O-N 3.09Å; A67-G70 PolarHBondContact O-N 3.35Å; E68-G70 VanDerWaalsContact C-N 3.33Å; G70-G179 WeakPolarHBondContact CA-O 3.48Å |
| 71 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -115.4 | 114.8 | -179.3 | -56.5 | 172.6 | 0 | 0 | 0 | 108.2 | L20 V31 A33 L66 K69 P173 R176 | L20-I71 HydrophobicContact CD1-CD1 4.21Å; V31-I71 HydrophobicContact CB-CG1 4.47Å; V31-I71 HydrophobicContact CG1-CD1 4.24Å; V31-I71 HydrophobicContact CG1-CG1 4.39Å; V31-I71 HydrophobicContact CG1-CG2 4.08Å; A33-I71 HydrophobicContact CB-CG2 4.1Å; L66-I71 CarbonylContact C-O 3.5Å; L66-I71 VanDerWaalsContact C-O 3.27Å; L66-I71 HydrophobicContact CB-CB 4.25Å; L66-I71 WeakPolarHBondContact CB-O 3.43Å; L66-I71 HydrophobicContact CD2-CB 4.04Å; L66-I71 HydrophobicContact CD2-CD1 4.12Å; L66-I71 HydrophobicContact CD2-CG2 4.05Å; L66-I71 PolarHBondContact O-N 3.15Å; K69-I71 HydrophobicContact CB-CD1 4.2Å; K69-I71 HydrophobicContact CB-CG1 4.31Å; I71-P173 HydrophobicContact CD1-CG 4.44Å; I71-R176 HydrophobicContact CG1-CG 3.81Å | ||
| 72 | P | 98.7 | Very high | 98.7 | Very high | 46 Ų | 46 | 43.6 Ų | 43.6 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | trans | -77.2 | 139.6 | 176.2 | 31.3 | -34.6 | 0 | 0 | 0 | 111 | L32 A33 I181 | L32-P72 HydrophobicContact CD2-CG 3.47Å; L32-P72 VanDerWaalsContact CD2-CG 3.47Å; A33-P72 PolarHBondContact N-O 3.3Å; P72-I181 HydrophobicContact CB-CD1 3.77Å; P72-I181 HydrophobicContact CG-CD1 4.4Å | ||
| 73 | L | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.3 | 171.7 | -179 | 64.5 | 0 | 0 | 0 | 110.4 | A33 L59 Q63 L66 I187 | A33-L73 HydrophobicContact CB-CD1 3.69Å; L59-L73 HydrophobicContact CD1-CD2 3.81Å; Q63-L73 HydrophobicContact CB-CD2 3.95Å; Q63-L73 HydrophobicContact CG-CB 4.41Å; Q63-L73 HydrophobicContact CG-CD2 4.27Å; L66-L73 HydrophobicContact CD1-CB 4.2Å; L66-L73 HydrophobicContact CD1-CD1 4.3Å; L73-I187 HydrophobicContact CD2-CD1 4.09Å |
| 74 | L | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 112.7 | 171.3 | -53.9 | -179.4 | 0 | 0 | 0 | 108.7 | A33 L34 Y35 V91 | A33-L74 WeakPolarHBondContact O-CB 3.31Å; A33-L74 WeakPolarHBondContact O-CG 3.47Å; A33-L74 PolarHBondContact O-N 3.41Å; L34-L74 WeakPolarHBondContact CA-O 3.41Å; L34-L74 HydrophobicContact CD1-CB 4.25Å; L34-L74 WeakPolarHBondContact CD1-O 3.44Å; Y35-L74 PolarHBondContact N-O 2.96Å; L74-V91 HydrophobicContact CD1-CG1 3.69Å |
| 75 | F | 98.9 | Very high | 98.7 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 24% | 0.237 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 135.9 | 174.8 | 178.8 | -103.7 | 0 | 0 | 0 | 111 | Y35 A37 L59 E77 I187 L189 | Y35-F75 AromaticContact CD1-CD2 3.87Å; Y35-F75 HydrophobicContact CD1-CD2 3.87Å; Y35-F75 AromaticContact CD1-CE2 3.86Å; Y35-F75 HydrophobicContact CD1-CE2 3.86Å; Y35-F75 HydrophobicContact CE1-CE2 4.22Å; A37-F75 HydrophobicContact CB-CE2 3.86Å; A37-F75 HydrophobicContact CB-CZ 3.86Å; L59-F75 HydrophobicContact CD2-CD2 4.2Å; L59-F75 HydrophobicContact CD2-CE2 4.11Å; F75-E77 HydrophobicContact CE1-CB 4.22Å; F75-E77 HydrophobicContact CZ-CB 4.18Å; F75-I187 HydrophobicContact CB-CD1 3.81Å; F75-I187 HydrophobicContact CB-CG1 4.15Å; F75-I187 HydrophobicContact CD1-CG1 4.43Å; F75-I187 HydrophobicContact CD1-CG2 4.02Å; F75-I187 HydrophobicContact CD2-CD1 3.87Å; F75-I187 HydrophobicContact CD2-CG1 4.25Å; F75-I187 HydrophobicContact CD2-CG2 3.66Å; F75-I187 HydrophobicContact CE1-CG2 3.83Å; F75-I187 HydrophobicContact CE2-CG2 3.46Å; F75-I187 VanDerWaalsContact CE2-CG2 3.46Å; F75-I187 HydrophobicContact CG-CD1 3.92Å; F75-I187 HydrophobicContact CG-CG1 4.02Å; F75-I187 HydrophobicContact CG-CG2 3.94Å; F75-I187 HydrophobicContact CZ-CG2 3.56Å; F75-L189 HydrophobicContact CE2-CD2 3.9Å; F75-L189 HydrophobicContact CZ-CD2 4.04Å |
| 76 | R | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 45 Ų | 45 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.2 | 172.2 | -63.5 | -68.5 | -175.9 | -125.4 | 8.9 | 109 | L34 Y35 I36 A37 I87 E94 | L34-R76 HydrophobicContact CD1-CG 4.13Å; Y35-R76 PolarHBondContact O-N 3.2Å; I36-R76 CarbonylContact C-O 3.44Å; I36-R76 WeakPolarHBondContact CA-O 3.22Å; I36-R76 HydrophobicContact CG1-CB 4.49Å; A37-R76 PolarHBondContact N-O 2.91Å; R76-I87 HydrophobicContact CB-CG2 3.83Å; R76-I87 HydrophobicContact CG-CG2 3.66Å; R76-E94 IonicContact NH2-OE2 3.97Å |
| 77 | E | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.2 | 172.4 | -175.3 | 175.8 | 106.2 | 0 | 0 | 107.9 | A37 P39 F75 N190 | A37-E77 HydrophobicContact CB-CB 4.22Å; A37-E77 HydrophobicContact CB-CG 4.04Å; A37-E77 WeakPolarHBondContact O-CA 3.44Å; P39-E77 HydrophobicContact CG-CG 4Å; F75-E77 HydrophobicContact CE1-CB 4.22Å; F75-E77 HydrophobicContact CZ-CB 4.18Å; E77-N190 VanDerWaalsContact OE1-CB 3.22Å; E77-N190 WeakPolarHBondContact OE1-CB 3.46Å; E77-N190 PolarHBondContact OE1-ND2 3.32Å; E77-N190 VanDerWaalsContact OE2-CB 3.31Å; E77-N190 WeakPolarHBondContact OE2-CB 3.31Å; E77-N190 PolarHBondContact OE2-N 3.35Å |
| 78 | V | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | trans | -139.8 | 171.8 | 174.9 | -66 | 0 | 0 | 0 | 0 | 109.3 | I36 A37 T38 P39 A83 I87 | I36-V78 HydrophobicContact CG2-CG2 3.7Å; A37-V78 PolarHBondContact O-N 3.46Å; A37-V78 VanDerWaalsContact O-O 3.14Å; T38-V78 VanDerWaalsContact CA-O 3.31Å; T38-V78 WeakPolarHBondContact CA-O 3.46Å; T38-V78 HydrophobicContact CG2-CG2 4.02Å; P39-V78 WeakPolarHBondContact CD-O 3.45Å; V78-A83 HydrophobicContact CB-CB 3.74Å; V78-A83 HydrophobicContact CG1-CB 4.27Å; V78-A83 HydrophobicContact CG2-CB 3.82Å; V78-I87 HydrophobicContact CG1-CD1 3.87Å; V78-I87 HydrophobicContact CG1-CG1 3.45Å; V78-I87 VanDerWaalsContact CG1-CG1 3.45Å | ||
| 79 | D | 98.5 | Very high | 98.7 | Very high | 84 Ų | 84 | 44 Ų | 44 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -65.5 | -53.2 | -178.6 | -85.5 | 13.9 | 0 | 0 | 0 | 112 | T38 R40 Q41 | T38-D79 CarbonylContact C-O 3.5Å; R40-D79 HydrophobicContact CB-CB 4.08Å; R40-D79 VanDerWaalsContact CB-O 3.26Å; R40-D79 WeakPolarHBondContact CB-O 3.16Å; R40-D79 WeakPolarHBondContact CD-OD2 3.45Å; R40-D79 PolarHBondContact N-O 3.03Å; R40-D79 VanDerWaalsContact N-O 3.17Å; R40-D79 IonicContact NH1-OD2 3.08Å; R40-D79 PolarHBondContact NH1-OD2 3.28Å; R40-D79 VanDerWaalsContact NH1-OD2 3.08Å; Q41-D79 PolarHBondContact N-O 3.23Å; Q41-D79 VanDerWaalsContact N-O 3.08Å |
| 80 | D | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -145 | -176.9 | -165 | 67.5 | 26.1 | 0 | 0 | 0 | 115.2 | Q41 V82 A83 S84 | Q41-D80 HydrophobicContact CB-CB 4.23Å; D80-V82 VanDerWaalsContact C-N 3.32Å; D80-V82 PolarHBondContact O-N 3.23Å; D80-V82 WeakPolarHBondContact OD1-CA 3.4Å; D80-V82 WeakPolarHBondContact OD1-CB 3.41Å; D80-V82 PolarHBondContact OD1-N 2.87Å; D80-A83 PolarHBondContact O-N 3.44Å; D80-A83 PolarHBondContact OD1-N 3.3Å; D80-S84 PolarHBondContact O-N 3.05Å; D80-S84 VanDerWaalsContact O-N 3.08Å; D80-S84 PolarHBondContact O-OG 2.92Å |
| 81 | F | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 9% | 0.092 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.6 | -26.1 | 179.3 | -70.2 | -13.8 | 0 | 0 | 0 | 113.9 | T38 Q41 H45 S84 V85 N109 E110 R113 | T38-F81 HydrophobicContact CG2-CD1 4.06Å; T38-F81 HydrophobicContact CG2-CE1 4.36Å; Q41-F81 HydrophobicContact CB-CD1 4.45Å; Q41-F81 HydrophobicContact CB-CE1 4.44Å; Q41-F81 HydrophobicContact CG-CD1 3.87Å; Q41-F81 HydrophobicContact CG-CD2 3.91Å; Q41-F81 HydrophobicContact CG-CE1 3.74Å; Q41-F81 HydrophobicContact CG-CE2 3.78Å; Q41-F81 HydrophobicContact CG-CG 3.94Å; Q41-F81 HydrophobicContact CG-CZ 3.68Å; H45-F81 AromaticContact CE1-CE2 3.84Å; F81-S84 WeakPolarHBondContact O-CB 3.36Å; F81-S84 PolarHBondContact O-N 3.42Å; F81-V85 PolarHBondContact O-N 3.04Å; F81-N109 HydrophobicContact CD2-CB 3.94Å; F81-N109 HydrophobicContact CE2-CB 4Å; F81-E110 HydrophobicContact CE2-CB 4.5Å; F81-E110 VanDerWaalsContact CE2-CD 3.47Å; F81-E110 HydrophobicContact CE2-CG 3.71Å; F81-E110 HydrophobicContact CZ-CG 3.92Å; F81-R113 HydrophobicContact CB-CB 4.01Å; F81-R113 HydrophobicContact CB-CG 3.99Å; F81-R113 HydrophobicContact CD2-CB 4.44Å; F81-R113 HydrophobicContact CG-CB 4.34Å; F81-R113 HydrophobicContact CG-CG 4.38Å |
| 82 | V | 98.6 | Very high | 98.7 | Very high | 113 Ų | 113 | 45.9 Ų | 45.9 | 69% | 0.685 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67.7 | -46.8 | 175.4 | 178 | 0 | 0 | 0 | 0 | 109.2 | D80 S84 V85 | D80-V82 VanDerWaalsContact C-N 3.32Å; D80-V82 PolarHBondContact O-N 3.23Å; D80-V82 WeakPolarHBondContact OD1-CA 3.4Å; D80-V82 WeakPolarHBondContact OD1-CB 3.41Å; D80-V82 PolarHBondContact OD1-N 2.87Å; V82-S84 PolarHBondContact O-N 3.25Å; V82-V85 WeakPolarHBondContact O-CB 3.28Å; V82-V85 PolarHBondContact O-N 3.34Å |
| 83 | A | 98.7 | Very high | 98.7 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -31 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V78 D80 V85 E86 I87 | V78-A83 HydrophobicContact CB-CB 3.74Å; V78-A83 HydrophobicContact CG1-CB 4.27Å; V78-A83 HydrophobicContact CG2-CB 3.82Å; D80-A83 PolarHBondContact O-N 3.44Å; D80-A83 PolarHBondContact OD1-N 3.3Å; A83-V85 VanDerWaalsContact C-N 3.26Å; A83-V85 PolarHBondContact O-N 2.91Å; A83-E86 PolarHBondContact O-N 3.29Å; A83-I87 PolarHBondContact O-N 3.26Å; A83-I87 VanDerWaalsContact O-N 3.15Å |
| 84 | S | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -35.7 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | T38 D80 F81 V82 E86 I87 V88 | T38-S84 VanDerWaalsContact CG2-OG 3.3Å; T38-S84 WeakPolarHBondContact CG2-OG 3.39Å; D80-S84 PolarHBondContact O-N 3.05Å; D80-S84 VanDerWaalsContact O-N 3.08Å; D80-S84 PolarHBondContact O-OG 2.92Å; F81-S84 WeakPolarHBondContact O-CB 3.36Å; F81-S84 PolarHBondContact O-N 3.42Å; V82-S84 PolarHBondContact O-N 3.25Å; S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 PolarHBondContact O-N 3.49Å; S84-I87 PolarHBondContact O-N 3.38Å; S84-V88 WeakPolarHBondContact O-CG2 3.4Å; S84-V88 PolarHBondContact O-N 3.09Å |
| 85 | V | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 51.1 Ų | 51.1 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -45 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | F81 V82 A83 V88 K89 R113 E116 V117 A120 | F81-V85 PolarHBondContact O-N 3.04Å; V82-V85 WeakPolarHBondContact O-CB 3.28Å; V82-V85 PolarHBondContact O-N 3.34Å; A83-V85 VanDerWaalsContact C-N 3.26Å; A83-V85 PolarHBondContact O-N 2.91Å; V85-V88 PolarHBondContact O-N 3.16Å; V85-K89 HydrophobicContact CG1-CD 4.19Å; V85-K89 WeakPolarHBondContact O-CD 3.38Å; V85-K89 VanDerWaalsContact O-CG 3.32Å; V85-K89 WeakPolarHBondContact O-CG 3.43Å; V85-K89 PolarHBondContact O-N 3.17Å; V85-K89 VanDerWaalsContact O-N 3.12Å; V85-R113 HydrophobicContact CG2-CG 4.46Å; V85-E116 HydrophobicContact CG2-CB 4.08Å; V85-V117 HydrophobicContact CB-CG2 4.32Å; V85-V117 HydrophobicContact CG1-CG2 4.29Å; V85-V117 HydrophobicContact CG2-CG2 4.02Å; V85-A120 HydrophobicContact CG1-CB 4.27Å |
| 86 | E | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 179.1 | -63.2 | -54.1 | 124.8 | 0 | 0 | 112.4 | A83 S84 K89 Q90 | A83-E86 PolarHBondContact O-N 3.29Å; S84-E86 VanDerWaalsContact C-N 3.3Å; S84-E86 PolarHBondContact O-N 3.49Å; E86-K89 PolarHBondContact O-N 3.01Å; E86-K89 IonicContact OE1-NZ 3.39Å; E86-K89 PolarHBondContact OE1-NZ 3.28Å; E86-K89 IonicContact OE2-NZ 2.99Å; E86-K89 PolarHBondContact OE2-NZ 2.97Å; E86-Q90 WeakPolarHBondContact O-CB 3.44Å; E86-Q90 PolarHBondContact O-N 3.24Å |
| 87 | I | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 175 | -68.5 | -60.3 | 0 | 0 | 0 | 112 | I36 R76 V78 A83 S84 K89 Q90 V91 | I36-I87 HydrophobicContact CD1-CB 4.07Å; I36-I87 HydrophobicContact CD1-CG2 3.69Å; I36-I87 HydrophobicContact CG1-CG2 4.09Å; R76-I87 HydrophobicContact CB-CG2 3.83Å; R76-I87 HydrophobicContact CG-CG2 3.66Å; V78-I87 HydrophobicContact CG1-CD1 3.87Å; V78-I87 HydrophobicContact CG1-CG1 3.45Å; V78-I87 VanDerWaalsContact CG1-CG1 3.45Å; A83-I87 PolarHBondContact O-N 3.26Å; A83-I87 VanDerWaalsContact O-N 3.15Å; S84-I87 PolarHBondContact O-N 3.38Å; I87-K89 VanDerWaalsContact C-N 3.32Å; I87-K89 PolarHBondContact O-N 3.34Å; I87-Q90 PolarHBondContact O-N 2.96Å; I87-V91 HydrophobicContact CG2-CG2 4.23Å; I87-V91 WeakPolarHBondContact O-CB 3.38Å; I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 3.29Å |
| 88 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.5 | 180 | 0 | 0 | 0 | 0 | 110.1 | W7 L34 I36 S84 V85 Q90 V91 C92 L100 V117 L121 | W7-V88 HydrophobicContact CD2-CG2 4.06Å; W7-V88 HydrophobicContact CE3-CG2 4.08Å; W7-V88 HydrophobicContact CH2-CG2 3.91Å; W7-V88 HydrophobicContact CZ2-CG2 3.91Å; W7-V88 HydrophobicContact CZ3-CG2 4.02Å; L34-V88 HydrophobicContact CD2-CG2 4.08Å; I36-V88 HydrophobicContact CD1-CG2 3.73Å; S84-V88 WeakPolarHBondContact O-CG2 3.4Å; S84-V88 PolarHBondContact O-N 3.09Å; V85-V88 PolarHBondContact O-N 3.16Å; V88-Q90 PolarHBondContact O-N 3.23Å; V88-V91 PolarHBondContact O-N 2.89Å; V88-C92 WeakPolarHBondContact O-CB 3.41Å; V88-C92 PolarHBondContact O-N 3Å; V88-C92 PolarHBondContact O-SG 2.67Å; V88-L100 HydrophobicContact CG1-CD2 4.05Å; V88-V117 HydrophobicContact CB-CG1 4.43Å; V88-V117 HydrophobicContact CB-CG2 4.5Å; V88-V117 HydrophobicContact CG1-CG1 3.92Å; V88-V117 HydrophobicContact CG2-CG2 4.43Å; V88-L121 HydrophobicContact CG1-CD1 3.81Å |
| 89 | K | 98.5 | Very high | 98.5 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 174.7 | -68.7 | 160.9 | 69.6 | -163.3 | 0 | 111.7 | V85 E86 I87 C92 A93 A120 L121 | V85-K89 HydrophobicContact CG1-CD 4.19Å; V85-K89 WeakPolarHBondContact O-CD 3.38Å; V85-K89 VanDerWaalsContact O-CG 3.32Å; V85-K89 WeakPolarHBondContact O-CG 3.43Å; V85-K89 PolarHBondContact O-N 3.17Å; V85-K89 VanDerWaalsContact O-N 3.12Å; E86-K89 PolarHBondContact O-N 3.01Å; E86-K89 IonicContact OE1-NZ 3.39Å; E86-K89 PolarHBondContact OE1-NZ 3.28Å; E86-K89 IonicContact OE2-NZ 2.99Å; E86-K89 PolarHBondContact OE2-NZ 2.97Å; I87-K89 VanDerWaalsContact C-N 3.32Å; I87-K89 PolarHBondContact O-N 3.34Å; K89-C92 PolarHBondContact O-N 2.97Å; K89-A93 WeakPolarHBondContact O-CB 3.42Å; K89-A93 PolarHBondContact O-N 3.08Å; K89-A120 HydrophobicContact CD-CB 3.7Å; K89-A120 HydrophobicContact CG-CB 3.89Å; K89-L121 HydrophobicContact CB-CD2 4.5Å; K89-L121 HydrophobicContact CG-CD2 4.06Å |
| 90 | Q | 98.5 | Very high | 98.6 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.5 | -51.5 | -179.9 | 179.2 | 179.7 | -4.9 | 0 | 0 | 111.3 | E86 I87 V88 C92 A93 E94 | E86-Q90 WeakPolarHBondContact O-CB 3.44Å; E86-Q90 PolarHBondContact O-N 3.24Å; I87-Q90 PolarHBondContact O-N 2.96Å; V88-Q90 PolarHBondContact O-N 3.23Å; Q90-C92 VanDerWaalsContact C-N 3.28Å; Q90-C92 PolarHBondContact O-N 2.79Å; Q90-A93 PolarHBondContact O-N 3.08Å; Q90-E94 HydrophobicContact CG-CG 4.26Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.21Å; Q90-E94 PolarHBondContact NE2-OE1 3.45Å; Q90-E94 WeakPolarHBondContact O-CB 3.47Å; Q90-E94 WeakPolarHBondContact O-CG 3.29Å; Q90-E94 PolarHBondContact O-N 3.06Å |
| 91 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 179.4 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L5 L34 L74 I87 V88 N95 | L5-V91 HydrophobicContact CD1-CG1 4.2Å; L5-V91 HydrophobicContact CD2-CG1 3.87Å; L34-V91 HydrophobicContact CD1-CG2 4.25Å; L34-V91 HydrophobicContact CD2-CB 4.44Å; L34-V91 HydrophobicContact CD2-CG1 4.38Å; L34-V91 HydrophobicContact CD2-CG2 4.48Å; L74-V91 HydrophobicContact CD1-CG1 3.69Å; I87-V91 HydrophobicContact CG2-CG2 4.23Å; I87-V91 WeakPolarHBondContact O-CB 3.38Å; I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 3.29Å; V88-V91 PolarHBondContact O-N 2.89Å; V91-N95 VanDerWaalsContact O-CB 3.31Å; V91-N95 WeakPolarHBondContact O-CB 3.09Å; V91-N95 PolarHBondContact O-N 3.24Å; V91-N95 VanDerWaalsContact O-N 3.1Å; V91-N95 PolarHBondContact O-ND2 3.02Å |
| 92 | C | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.7 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | V88 K89 Q90 S96 V97 L121 L124 | V88-C92 WeakPolarHBondContact O-CB 3.41Å; V88-C92 PolarHBondContact O-N 3Å; V88-C92 PolarHBondContact O-SG 2.67Å; K89-C92 PolarHBondContact O-N 2.97Å; Q90-C92 VanDerWaalsContact C-N 3.28Å; Q90-C92 PolarHBondContact O-N 2.79Å; C92-S96 PolarHBondContact O-N 2.97Å; C92-S96 VanDerWaalsContact O-N 3.1Å; C92-V97 HydrophobicContact CB-CB 4Å; C92-V97 HydrophobicContact CB-CG2 4.36Å; C92-V97 PolarHBondContact O-N 3.25Å; C92-L121 HydrophobicContact CB-CD2 4.11Å; C92-L124 HydrophobicContact CB-CD2 3.8Å |
| 93 | A | 97.8 | Very high | 98.6 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 62% | 0.62 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -65.4 | -51.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | K89 Q90 N95 S96 | K89-A93 WeakPolarHBondContact O-CB 3.42Å; K89-A93 PolarHBondContact O-N 3.08Å; Q90-A93 PolarHBondContact O-N 3.08Å; A93-N95 PolarHBondContact O-N 2.73Å; A93-S96 PolarHBondContact O-N 3.22Å |
| 94 | E | 98.2 | Very high | 98.6 | Very high | 106 Ų | 106 | 38.7 Ų | 38.7 | 50% | 0.495 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.5 | -36.3 | -179.7 | -73.4 | 173.8 | 177.6 | 0 | 0 | 112.4 | R76 Q90 | R76-E94 IonicContact NH2-OE2 3.97Å; Q90-E94 HydrophobicContact CG-CG 4.26Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.21Å; Q90-E94 PolarHBondContact NE2-OE1 3.45Å; Q90-E94 WeakPolarHBondContact O-CB 3.47Å; Q90-E94 WeakPolarHBondContact O-CG 3.29Å; Q90-E94 PolarHBondContact O-N 3.06Å |
| 95 | N | 98.3 | Very high | 98.6 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 7.1 | -174.6 | -67.8 | -81.1 | 0 | 0 | 0 | 113.7 | R30 L32 V91 A93 V97 | R30-N95 PolarHBondContact NH2-O 3.5Å; L32-N95 HydrophobicContact CD1-CB 3.6Å; V91-N95 VanDerWaalsContact O-CB 3.31Å; V91-N95 WeakPolarHBondContact O-CB 3.09Å; V91-N95 PolarHBondContact O-N 3.24Å; V91-N95 VanDerWaalsContact O-N 3.1Å; V91-N95 PolarHBondContact O-ND2 3.02Å; A93-N95 PolarHBondContact O-N 2.73Å; N95-V97 HydrophobicContact CB-CG2 3.92Å; N95-V97 PolarHBondContact O-N 3.29Å |
| 96 | S | 97.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 39 Ų | 39 | 63% | 0.629 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 47.5 | -176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | C92 A93 | C92-S96 PolarHBondContact O-N 2.97Å; C92-S96 VanDerWaalsContact O-N 3.1Å; A93-S96 PolarHBondContact O-N 3.22Å |
| 97 | V | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 35 Ų | 35 | 9% | 0.085 | 19% | 0.189 | C | C | . | . | trans | -67.2 | 134.3 | -179.4 | 176 | 0 | 0 | 0 | 0 | 109.2 | T3 L5 C92 N95 H99 L124 | T3-V97 HydrophobicContact CG2-CG2 4.12Å; L5-V97 HydrophobicContact CB-CG1 3.66Å; L5-V97 HydrophobicContact CB-CG2 3.98Å; L5-V97 HydrophobicContact CD2-CG2 4.32Å; C92-V97 HydrophobicContact CB-CB 4Å; C92-V97 HydrophobicContact CB-CG2 4.36Å; C92-V97 PolarHBondContact O-N 3.25Å; N95-V97 HydrophobicContact CB-CG2 3.92Å; N95-V97 PolarHBondContact O-N 3.29Å; V97-H99 VanDerWaalsContact CG1-O 3.26Å; V97-H99 WeakPolarHBondContact CG1-O 3.33Å; V97-L124 HydrophobicContact CB-CD2 4.41Å; V97-L124 HydrophobicContact CG1-CD2 4.19Å | ||
| 98 | T | 98.5 | Very high | 98.6 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | trans | -107.6 | -25.8 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 112.7 | T3 L124 V125 | T3-T98 PolarHBondContact N-OG1 2.83Å; T3-T98 VanDerWaalsContact N-OG1 3.08Å; T3-T98 PolarHBondContact O-N 2.86Å; T3-T98 PolarHBondContact O-OG1 3.04Å; T98-L124 WeakPolarHBondContact O-CB 3.19Å; T98-V125 PolarHBondContact O-N 2.83Å | ||
| 99 | H | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 22% | 0.222 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 131.1 | -180 | -60.7 | 71.3 | 0 | 0 | 0 | 109.5 | T3 H4 L5 V97 F101 V125 | T3-H99 PolarHBondContact O-N 3.15Å; H4-H99 CarbonylContact C-O 3.57Å; H4-H99 WeakPolarHBondContact CA-O 3.37Å; H4-H99 AromaticContact CD2-CG 3.87Å; H4-H99 AromaticContact CD2-ND1 3.79Å; H4-H99 AromaticContact NE2-CG 3.94Å; H4-H99 AromaticContact NE2-ND1 3.8Å; L5-H99 PolarHBondContact N-O 3.16Å; V97-H99 VanDerWaalsContact CG1-O 3.26Å; V97-H99 WeakPolarHBondContact CG1-O 3.33Å; H99-F101 HydrophobicContact CB-CD2 4.15Å; H99-F101 HydrophobicContact CB-CE2 3.37Å; H99-F101 HydrophobicContact CB-CZ 3.89Å; H99-V125 CarbonylContact C-O 3.39Å; H99-V125 VanDerWaalsContact CA-O 3.23Å; H99-V125 WeakPolarHBondContact CA-O 3.43Å |
| 100 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.1 | 171.7 | 172.5 | 63.5 | 0 | 0 | 0 | 108.6 | L5 W7 V88 Y102 V117 L121 L124 V125 C126 E127 | L5-L100 HydrophobicContact CB-CD1 4.21Å; L5-L100 HydrophobicContact CD2-CD1 4.11Å; L5-L100 HydrophobicContact CG-CD1 4.19Å; L5-L100 WeakPolarHBondContact O-CA 3.36Å; W7-L100 HydrophobicContact CB-CD1 3.94Å; V88-L100 HydrophobicContact CG1-CD2 4.05Å; L100-Y102 HydrophobicContact CD2-CD1 4.47Å; L100-Y102 HydrophobicContact CG-CD1 4.27Å; L100-V117 HydrophobicContact CD2-CG1 3.78Å; L100-L121 HydrophobicContact CD2-CD1 3.49Å; L100-L121 VanDerWaalsContact CD2-CD1 3.49Å; L100-L124 HydrophobicContact CB-CD1 3.82Å; L100-V125 PolarHBondContact N-O 3.32Å; L100-C126 CarbonylContact O-C 3.56Å; L100-C126 WeakPolarHBondContact O-CA 3.22Å; L100-E127 PolarHBondContact O-N 2.89Å |
| 101 | F | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.6 | 175.4 | -61.9 | -95.1 | 0 | 0 | 0 | 109.3 | H4 L5 V6 W7 A19 A22 A23 H99 E127 F129 | H4-F101 HydrophobicContact CB-CD2 4.09Å; H4-F101 HydrophobicContact CB-CE2 3.82Å; H4-F101 AromaticContact CD2-CE2 3.86Å; H4-F101 AromaticContact CE1-CE2 3.93Å; H4-F101 AromaticContact CG-CE2 3.52Å; H4-F101 AromaticContact ND1-CE2 3.6Å; L5-F101 PolarHBondContact O-N 3.18Å; V6-F101 WeakPolarHBondContact CA-O 3.43Å; W7-F101 PolarHBondContact N-O 2.92Å; A19-F101 HydrophobicContact CB-CB 4.15Å; A22-F101 HydrophobicContact CB-CD1 3.85Å; A22-F101 HydrophobicContact CB-CE1 4.05Å; A23-F101 HydrophobicContact CB-CB 4.09Å; A23-F101 HydrophobicContact CB-CD1 4.35Å; A23-F101 HydrophobicContact CB-CD2 3.54Å; A23-F101 HydrophobicContact CB-CE2 4.03Å; A23-F101 HydrophobicContact CB-CG 3.74Å; H99-F101 HydrophobicContact CB-CD2 4.15Å; H99-F101 HydrophobicContact CB-CE2 3.37Å; H99-F101 HydrophobicContact CB-CZ 3.89Å; F101-E127 WeakPolarHBondContact CA-O 3.35Å; F101-E127 HydrophobicContact CD1-CB 3.99Å; F101-E127 HydrophobicContact CE1-CB 4.17Å; F101-E127 HydrophobicContact CE1-CG 4.37Å; F101-E127 WeakPolarHBondContact CE1-OE1 3.25Å; F101-E127 WeakPolarHBondContact CZ-OE1 3.44Å; F101-F129 HydrophobicContact CB-CE2 4.43Å; F101-F129 AromaticContact CD1-CE2 3.8Å; F101-F129 HydrophobicContact CD1-CE2 3.8Å; F101-F129 HydrophobicContact CD1-CZ 4.01Å |
| 102 | Y | 99 | Very high | 98.6 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 149.3 | -177.5 | 74.3 | -93.2 | 0 | 0 | 0 | 111.4 | L100 Y104 D114 E118 C126 E127 G128 F129 | L100-Y102 HydrophobicContact CD2-CD1 4.47Å; L100-Y102 HydrophobicContact CG-CD1 4.27Å; Y102-Y104 AromaticContact CE2-CD1 3.65Å; Y102-Y104 HydrophobicContact CE2-CD1 3.65Å; Y102-Y104 AromaticContact CE2-CE1 3.81Å; Y102-Y104 HydrophobicContact CE2-CE1 3.81Å; Y102-Y104 AromaticContact CZ-CE1 3.85Å; Y102-Y104 WeakPolarHBondContact OH-CE1 3.44Å; Y102-D114 HydrophobicContact CE2-CB 4.27Å; Y102-E118 HydrophobicContact CE1-CG 4.43Å; Y102-E118 VanDerWaalsContact OH-CD 3.29Å; Y102-E118 PolarHBondContact OH-OE1 3.31Å; Y102-C126 HydrophobicContact CE1-CB 4.4Å; Y102-E127 PolarHBondContact N-O 2.86Å; Y102-G128 CarbonylContact O-C 3.2Å; Y102-G128 WeakPolarHBondContact O-CA 3.43Å; Y102-F129 PolarHBondContact O-N 3.43Å |
| 103 | N | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 134.7 | 174.8 | -66.2 | -43.7 | 0 | 0 | 0 | 111.2 | R9 D11 N17 A19 F129 D131 | R9-N103 VanDerWaalsContact NH1-N 3.11Å; R9-N103 PolarHBondContact NH1-O 3.24Å; R9-N103 PolarHBondContact NH2-O 3.4Å; D11-N103 WeakPolarHBondContact OD2-CB 3.31Å; D11-N103 PolarHBondContact OD2-ND2 3.5Å; N17-N103 PolarHBondContact OD1-ND2 3.46Å; A19-N103 VanDerWaalsContact CB-OD1 3.25Å; A19-N103 WeakPolarHBondContact CB-OD1 3.37Å; A19-N103 PolarHBondContact N-OD1 2.65Å; A19-N103 VanDerWaalsContact N-OD1 3.08Å; N103-F129 CarbonylContact C-O 3.13Å; N103-F129 WeakPolarHBondContact CA-O 3.2Å; N103-D131 HydrophobicContact CB-CB 3.7Å; N103-D131 WeakPolarHBondContact OD1-CB 3.13Å |
| 104 | Y | 98.9 | Very high | 98.7 | Very high | 75 Ų | 75 | 37.1 Ų | 37.1 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | trans | -62.3 | 144.6 | -178.8 | -67.4 | -57.6 | 0 | 0 | 0 | 112.9 | Y102 G128 F129 | Y102-Y104 AromaticContact CE2-CD1 3.65Å; Y102-Y104 HydrophobicContact CE2-CD1 3.65Å; Y102-Y104 AromaticContact CE2-CE1 3.81Å; Y102-Y104 HydrophobicContact CE2-CE1 3.81Å; Y102-Y104 AromaticContact CZ-CE1 3.85Å; Y102-Y104 WeakPolarHBondContact OH-CE1 3.44Å; Y104-G128 WeakPolarHBondContact CE2-O 2.95Å; Y104-G128 VanDerWaalsContact CZ-C 3.48Å; Y104-G128 VanDerWaalsContact CZ-CA 3.41Å; Y104-F129 VanDerWaalsContact CD2-C 3.41Å; Y104-F129 PolarHBondContact N-O 3.32Å | ||
| 105 | Q | 98.9 | Very high | 98.7 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | trans | -115.2 | 145.1 | 164.8 | -67 | -173.5 | -84.7 | 0 | 0 | 108.5 | E110 R111 R113 | Q105-E110 HydrophobicContact CB-CB 3.58Å; Q105-E110 HydrophobicContact CB-CG 3.97Å; Q105-E110 HydrophobicContact CG-CB 4.49Å; Q105-E110 HydrophobicContact CG-CG 4.48Å; Q105-R111 WeakPolarHBondContact O-CG 2.94Å; Q105-R113 VanDerWaalsContact OE1-NH1 3.07Å | ||
| 106 | Y | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | trans | -107.6 | -9.2 | -165.7 | -56 | -64.3 | 0 | 0 | 0 | 113.9 | R111 D130 S132 V133 P137 R283 | Y106-R111 WeakPolarHBondContact O-CD 3.24Å; Y106-D130 WeakPolarHBondContact OH-CA 3.39Å; Y106-D130 WeakPolarHBondContact OH-CB 3.24Å; Y106-D130 PolarHBondContact OH-OD1 3.06Å; Y106-S132 WeakPolarHBondContact CE2-OG 3.41Å; Y106-V133 HydrophobicContact CE2-CG1 3.73Å; Y106-V133 HydrophobicContact CE2-CG2 4.44Å; Y106-V133 VanDerWaalsContact OH-CG2 3.28Å; Y106-V133 WeakPolarHBondContact OH-CG2 3.46Å; Y106-P137 HydrophobicContact CD1-CG 4.09Å; Y106-P137 HydrophobicContact CE1-CG 3.77Å; Y106-R283 HydrophobicContact CD2-CB 4.39Å | ||
| 107 | E | 98.7 | Very high | 98.8 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -68.9 | 148.6 | 175.3 | -61.8 | 80 | -175.4 | 0 | 0 | 110.7 | N109 E110 R111 R283 M286 L376 | E107-N109 PolarHBondContact O-N 3.3Å; E107-E110 HydrophobicContact CB-CB 4.43Å; E107-E110 HydrophobicContact CB-CG 4.37Å; E107-E110 WeakPolarHBondContact CB-OE2 3.33Å; E107-E110 PolarHBondContact O-N 3.19Å; E107-R111 WeakPolarHBondContact O-CB 3.2Å; E107-R111 VanDerWaalsContact O-CG 3.26Å; E107-R111 WeakPolarHBondContact O-CG 3.31Å; E107-R111 PolarHBondContact O-N 2.89Å; E107-R283 IonicContact OE1-NH1 3.96Å; E107-M286 HydrophobicContact CB-CE 4.44Å; E107-M286 HydrophobicContact CG-CE 3.7Å; E107-M286 HydrophobicContact CG-SD 4.38Å; E107-L376 HydrophobicContact CB-CD2 4.21Å; E107-L376 HydrophobicContact CG-CB 4.03Å; E107-L376 HydrophobicContact CG-CD2 3.79Å; E107-L376 HydrophobicContact CG-CG 4.5Å |
| 108 | V | 98.7 | Very high | 98.8 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | -171.9 | 162.9 | 0 | 0 | 0 | 0 | 113.5 | A112 P290 C293 | V108-A112 WeakPolarHBondContact O-CB 3.27Å; V108-A112 PolarHBondContact O-N 3.24Å; V108-P290 HydrophobicContact CG2-CB 3.6Å; V108-P290 WeakPolarHBondContact CG2-O 3.49Å; V108-C293 HydrophobicContact CB-CB 3.86Å; V108-C293 HydrophobicContact CG2-CB 3.61Å |
| 109 | N | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 41.7 Ų | 41.7 | 40% | 0.401 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.9 | -39.7 | -175.6 | -61.4 | 141.4 | 0 | 0 | 0 | 111.2 | H45 F81 E107 A112 R113 | H45-N109 PolarHBondContact NE2-OD1 3.24Å; F81-N109 HydrophobicContact CD2-CB 3.94Å; F81-N109 HydrophobicContact CE2-CB 4Å; E107-N109 PolarHBondContact O-N 3.3Å; N109-A112 PolarHBondContact O-N 3.29Å; N109-R113 PolarHBondContact O-N 2.85Å |
| 110 | E | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 178 | -70.7 | 74.7 | 178.1 | 0 | 0 | 110.9 | H45 F81 Q105 E107 A112 R113 D114 | H45-E110 IonicContact CE1-OE1 3.18Å; H45-E110 PolarHBondContact CE1-OE1 2.97Å; H45-E110 IonicContact CE1-OE2 3.87Å; H45-E110 IonicContact ND1-OE1 3.86Å; F81-E110 HydrophobicContact CE2-CB 4.5Å; F81-E110 VanDerWaalsContact CE2-CD 3.47Å; F81-E110 HydrophobicContact CE2-CG 3.71Å; F81-E110 HydrophobicContact CZ-CG 3.92Å; Q105-E110 HydrophobicContact CB-CB 3.58Å; Q105-E110 HydrophobicContact CB-CG 3.97Å; Q105-E110 HydrophobicContact CG-CB 4.49Å; Q105-E110 HydrophobicContact CG-CG 4.48Å; E107-E110 HydrophobicContact CB-CB 4.43Å; E107-E110 HydrophobicContact CB-CG 4.37Å; E107-E110 WeakPolarHBondContact CB-OE2 3.33Å; E107-E110 PolarHBondContact O-N 3.19Å; E110-A112 VanDerWaalsContact C-N 3.35Å; E110-A112 PolarHBondContact O-N 3.07Å; E110-R113 WeakPolarHBondContact O-CB 3.4Å; E110-R113 PolarHBondContact O-N 3.09Å; E110-D114 VanDerWaalsContact O-CG 3.27Å; E110-D114 PolarHBondContact O-N 3.2Å |
| 111 | R | 98.7 | Very high | 98.6 | Very high | 108 Ų | 108 | 42 Ų | 42 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 173.9 | -71.5 | 173.1 | 63.6 | 82.4 | -1.9 | 111.8 | Q105 Y106 E107 R113 D114 V115 | Q105-R111 WeakPolarHBondContact O-CG 2.94Å; Y106-R111 WeakPolarHBondContact O-CD 3.24Å; E107-R111 WeakPolarHBondContact O-CB 3.2Å; E107-R111 VanDerWaalsContact O-CG 3.26Å; E107-R111 WeakPolarHBondContact O-CG 3.31Å; E107-R111 PolarHBondContact O-N 2.89Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R111-D114 PolarHBondContact O-N 3.42Å; R111-V115 VanDerWaalsContact O-CG2 3.32Å; R111-V115 WeakPolarHBondContact O-CG2 3.46Å; R111-V115 PolarHBondContact O-N 3.4Å |
| 112 | A | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V108 N109 E110 E116 | V108-A112 WeakPolarHBondContact O-CB 3.27Å; V108-A112 PolarHBondContact O-N 3.24Å; N109-A112 PolarHBondContact O-N 3.29Å; E110-A112 VanDerWaalsContact C-N 3.35Å; E110-A112 PolarHBondContact O-N 3.07Å; A112-E116 WeakPolarHBondContact O-CG 3.3Å; A112-E116 PolarHBondContact O-N 3.29Å; A112-E116 VanDerWaalsContact O-N 3.11Å |
| 113 | R | 98.8 | Very high | 98 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.5 | -51.1 | 172.2 | 179.4 | -158.7 | 69.6 | -156.1 | -3.6 | 111.4 | W7 F81 V85 Q105 N109 E110 R111 V115 E116 V117 | W7-R113 HydrophobicContact CH2-CG 4.08Å; W7-R113 VanDerWaalsContact CH2-NE 3.29Å; F81-R113 HydrophobicContact CB-CB 4.01Å; F81-R113 HydrophobicContact CB-CG 3.99Å; F81-R113 HydrophobicContact CD2-CB 4.44Å; F81-R113 HydrophobicContact CG-CB 4.34Å; F81-R113 HydrophobicContact CG-CG 4.38Å; V85-R113 HydrophobicContact CG2-CG 4.46Å; Q105-R113 VanDerWaalsContact OE1-NH1 3.07Å; N109-R113 PolarHBondContact O-N 2.85Å; E110-R113 WeakPolarHBondContact O-CB 3.4Å; E110-R113 PolarHBondContact O-N 3.09Å; R111-R113 VanDerWaalsContact C-N 3.34Å; R113-V115 PolarHBondContact O-N 3.47Å; R113-E116 PolarHBondContact O-N 3.43Å; R113-V117 WeakPolarHBondContact O-CG2 3.2Å; R113-V117 PolarHBondContact O-N 3.14Å |
| 114 | D | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | -175 | -69.9 | -6 | 0 | 0 | 0 | 111.5 | R9 Y102 E110 R111 E116 V117 E118 | R9-D114 IonicContact NH2-OD1 3.66Å; R9-D114 IonicContact NH2-OD2 2.74Å; R9-D114 PolarHBondContact NH2-OD2 3.34Å; Y102-D114 HydrophobicContact CE2-CB 4.27Å; E110-D114 VanDerWaalsContact O-CG 3.27Å; E110-D114 PolarHBondContact O-N 3.2Å; R111-D114 PolarHBondContact O-N 3.42Å; D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.16Å; D114-V117 PolarHBondContact O-N 3.45Å; D114-E118 PolarHBondContact O-N 3.2Å |
| 115 | V | 98.6 | Very high | 97.9 | Very high | 65 Ų | 65 | 60.7 Ų | 60.7 | 39% | 0.394 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 173.6 | 168.5 | 0 | 0 | 0 | 0 | 111.8 | R111 R113 E118 R119 | R111-V115 VanDerWaalsContact O-CG2 3.32Å; R111-V115 WeakPolarHBondContact O-CG2 3.46Å; R111-V115 PolarHBondContact O-N 3.4Å; R113-V115 PolarHBondContact O-N 3.47Å; V115-E118 PolarHBondContact O-N 3.37Å; V115-R119 WeakPolarHBondContact O-CB 3.48Å; V115-R119 VanDerWaalsContact O-CG 3.25Å; V115-R119 WeakPolarHBondContact O-CG 3.45Å; V115-R119 PolarHBondContact O-N 2.93Å |
| 116 | E | 98.7 | Very high | 97.9 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 41% | 0.407 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.3 | -34.1 | 178.1 | -70.2 | -55.3 | 126.6 | 0 | 0 | 112.4 | V85 A112 R113 D114 R119 A120 | V85-E116 HydrophobicContact CG2-CB 4.08Å; A112-E116 WeakPolarHBondContact O-CG 3.3Å; A112-E116 PolarHBondContact O-N 3.29Å; A112-E116 VanDerWaalsContact O-N 3.11Å; R113-E116 PolarHBondContact O-N 3.43Å; D114-E116 VanDerWaalsContact C-N 3.35Å; D114-E116 PolarHBondContact O-N 3.16Å; E116-R119 PolarHBondContact O-N 2.85Å; E116-R119 WeakPolarHBondContact OE1-CD 3.3Å; E116-R119 IonicContact OE1-CZ 2.77Å; E116-R119 IonicContact OE1-NE 3.62Å; E116-R119 IonicContact OE1-NH1 3.85Å; E116-R119 PolarHBondContact OE1-NH1 2.95Å; E116-A120 VanDerWaalsContact O-CB 3.29Å; E116-A120 WeakPolarHBondContact O-CB 3.4Å; E116-A120 PolarHBondContact O-N 2.97Å |
| 117 | V | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -51 | 170.7 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | W7 V85 V88 L100 R113 D114 R119 A120 L121 | W7-V117 HydrophobicContact CH2-CG2 3.92Å; W7-V117 HydrophobicContact CZ3-CB 4.31Å; W7-V117 HydrophobicContact CZ3-CG1 4.17Å; W7-V117 HydrophobicContact CZ3-CG2 3.79Å; V85-V117 HydrophobicContact CB-CG2 4.32Å; V85-V117 HydrophobicContact CG1-CG2 4.29Å; V85-V117 HydrophobicContact CG2-CG2 4.02Å; V88-V117 HydrophobicContact CB-CG1 4.43Å; V88-V117 HydrophobicContact CB-CG2 4.5Å; V88-V117 HydrophobicContact CG1-CG1 3.92Å; V88-V117 HydrophobicContact CG2-CG2 4.43Å; L100-V117 HydrophobicContact CD2-CG1 3.78Å; R113-V117 WeakPolarHBondContact O-CG2 3.2Å; R113-V117 PolarHBondContact O-N 3.14Å; D114-V117 PolarHBondContact O-N 3.45Å; V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 PolarHBondContact O-N 2.87Å; V117-A120 PolarHBondContact O-N 3.11Å; V117-A120 VanDerWaalsContact O-N 3.16Å; V117-L121 HydrophobicContact CG1-CD1 3.58Å; V117-L121 HydrophobicContact CG1-CG 4.29Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 VanDerWaalsContact O-CG 3.3Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 2.98Å |
| 118 | E | 98.4 | Very high | 97.8 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 178.8 | -70.7 | -168.7 | 166 | 0 | 0 | 112.4 | Y102 D114 V115 A120 L121 C126 | Y102-E118 HydrophobicContact CE1-CG 4.43Å; Y102-E118 VanDerWaalsContact OH-CD 3.29Å; Y102-E118 PolarHBondContact OH-OE1 3.31Å; D114-E118 PolarHBondContact O-N 3.2Å; V115-E118 PolarHBondContact O-N 3.37Å; E118-A120 VanDerWaalsContact C-N 3.32Å; E118-A120 PolarHBondContact O-N 2.95Å; E118-L121 PolarHBondContact O-N 3.01Å; E118-C126 HydrophobicContact CG-CB 3.96Å |
| 119 | R | 97.8 | Very high | 97.8 | Very high | 153 Ų | 153 | 65 Ų | 65 | 58% | 0.577 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.3 | -35.4 | 176.5 | -76.8 | 171.8 | 170.1 | -176.4 | -3.8 | 113.3 | V115 E116 V117 R122 | V115-R119 WeakPolarHBondContact O-CB 3.48Å; V115-R119 VanDerWaalsContact O-CG 3.25Å; V115-R119 WeakPolarHBondContact O-CG 3.45Å; V115-R119 PolarHBondContact O-N 2.93Å; E116-R119 PolarHBondContact O-N 2.85Å; E116-R119 WeakPolarHBondContact OE1-CD 3.3Å; E116-R119 IonicContact OE1-CZ 2.77Å; E116-R119 IonicContact OE1-NE 3.62Å; E116-R119 IonicContact OE1-NH1 3.85Å; E116-R119 PolarHBondContact OE1-NH1 2.95Å; V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 PolarHBondContact O-N 2.87Å; R119-R122 VanDerWaalsContact O-CG 3.23Å; R119-R122 WeakPolarHBondContact O-CG 3.4Å; R119-R122 PolarHBondContact O-NE 3.37Å |
| 120 | A | 97.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 64 Ų | 64 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -76.6 | -32.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V85 K89 E116 V117 E118 R122 | V85-A120 HydrophobicContact CG1-CB 4.27Å; K89-A120 HydrophobicContact CD-CB 3.7Å; K89-A120 HydrophobicContact CG-CB 3.89Å; E116-A120 VanDerWaalsContact O-CB 3.29Å; E116-A120 WeakPolarHBondContact O-CB 3.4Å; E116-A120 PolarHBondContact O-N 2.97Å; V117-A120 PolarHBondContact O-N 3.11Å; V117-A120 VanDerWaalsContact O-N 3.16Å; E118-A120 VanDerWaalsContact C-N 3.32Å; E118-A120 PolarHBondContact O-N 2.95Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 2.87Å |
| 121 | L | 97.2 | Very high | 97.8 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | trans | -91.4 | 49 | -173.6 | -65.7 | -179.2 | 0 | 0 | 0 | 113.5 | V88 K89 C92 L100 V117 E118 N123 L124 | V88-L121 HydrophobicContact CG1-CD1 3.81Å; K89-L121 HydrophobicContact CB-CD2 4.5Å; K89-L121 HydrophobicContact CG-CD2 4.06Å; C92-L121 HydrophobicContact CB-CD2 4.11Å; L100-L121 HydrophobicContact CD2-CD1 3.49Å; L100-L121 VanDerWaalsContact CD2-CD1 3.49Å; V117-L121 HydrophobicContact CG1-CD1 3.58Å; V117-L121 HydrophobicContact CG1-CG 4.29Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 VanDerWaalsContact O-CG 3.3Å; V117-L121 WeakPolarHBondContact O-CG 3.42Å; V117-L121 PolarHBondContact O-N 2.98Å; E118-L121 PolarHBondContact O-N 3.01Å; L121-N123 PolarHBondContact O-N 3.05Å; L121-L124 HydrophobicContact CB-CD1 3.89Å; L121-L124 HydrophobicContact CB-CD2 4.21Å; L121-L124 HydrophobicContact CB-CG 3.86Å; L121-L124 HydrophobicContact CD1-CD1 4.04Å; L121-L124 HydrophobicContact CD1-CD2 4.19Å; L121-L124 HydrophobicContact CD1-CG 4.46Å; L121-L124 HydrophobicContact CD2-CD2 4.03Å; L121-L124 HydrophobicContact CG-CD2 4.37Å; L121-L124 PolarHBondContact O-N 3.19Å | ||
| 122 | R | 92.6 | Very high | 97.8 | Very high | 215 Ų | 215 | 58.9 Ų | 58.9 | 81% | 0.811 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19 | -172.2 | -58.9 | -169.6 | -179.8 | -164.1 | 0.9 | 116.1 | R119 A120 | R119-R122 VanDerWaalsContact O-CG 3.23Å; R119-R122 WeakPolarHBondContact O-CG 3.4Å; R119-R122 PolarHBondContact O-NE 3.37Å; A120-R122 VanDerWaalsContact C-N 3.33Å; A120-R122 PolarHBondContact O-N 2.87Å |
| 123 | N | 94 | Very high | 97.9 | Very high | 172 Ų | 172 | 56.3 Ų | 56.3 | 92% | 0.92 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 4.6 | -174.1 | -64.5 | -26.3 | 0 | 0 | 0 | 113.7 | L121 | L121-N123 PolarHBondContact O-N 3.05Š|
| 124 | L | 95.9 | Very high | 97.9 | Very high | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -132 | 164.6 | 176.7 | 65.2 | 79 | 0 | 0 | 0 | 110.4 | C92 V97 T98 L100 L121 C126 | C92-L124 HydrophobicContact CB-CD2 3.8Å; V97-L124 HydrophobicContact CB-CD2 4.41Å; V97-L124 HydrophobicContact CG1-CD2 4.19Å; T98-L124 WeakPolarHBondContact O-CB 3.19Å; L100-L124 HydrophobicContact CB-CD1 3.82Å; L121-L124 HydrophobicContact CB-CD1 3.89Å; L121-L124 HydrophobicContact CB-CD2 4.21Å; L121-L124 HydrophobicContact CB-CG 3.86Å; L121-L124 HydrophobicContact CD1-CD1 4.04Å; L121-L124 HydrophobicContact CD1-CD2 4.19Å; L121-L124 HydrophobicContact CD1-CG 4.46Å; L121-L124 HydrophobicContact CD2-CD2 4.03Å; L121-L124 HydrophobicContact CG-CD2 4.37Å; L121-L124 PolarHBondContact O-N 3.19Å; L124-C126 VanDerWaalsContact CD1-SG 3.53Å |
| 125 | V | 98.1 | Very high | 97.9 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.5 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 109 | T98 H99 L100 E127 | T98-V125 PolarHBondContact O-N 2.83Å; H99-V125 CarbonylContact C-O 3.39Å; H99-V125 VanDerWaalsContact CA-O 3.23Å; H99-V125 WeakPolarHBondContact CA-O 3.43Å; L100-V125 PolarHBondContact N-O 3.32Å; V125-E127 HydrophobicContact CG1-CG 4.09Å |
| 126 | C | 98.5 | Very high | 97.9 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 22% | 0.223 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 129 | 171.1 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | L100 Y102 E118 L124 | L100-C126 CarbonylContact O-C 3.56Å; L100-C126 WeakPolarHBondContact O-CA 3.22Å; Y102-C126 HydrophobicContact CE1-CB 4.4Å; E118-C126 HydrophobicContact CG-CB 3.96Å; L124-C126 VanDerWaalsContact CD1-SG 3.53Å |
| 127 | E | 98.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 52.4 Ų | 52.4 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 111.5 | 175.1 | -68.6 | -176.6 | -108.5 | 0 | 0 | 109.8 | L100 F101 Y102 V125 F129 | L100-E127 PolarHBondContact O-N 2.89Å; F101-E127 WeakPolarHBondContact CA-O 3.35Å; F101-E127 HydrophobicContact CD1-CB 3.99Å; F101-E127 HydrophobicContact CE1-CB 4.17Å; F101-E127 HydrophobicContact CE1-CG 4.37Å; F101-E127 WeakPolarHBondContact CE1-OE1 3.25Å; F101-E127 WeakPolarHBondContact CZ-OE1 3.44Å; Y102-E127 PolarHBondContact N-O 2.86Å; V125-E127 HydrophobicContact CG1-CG 4.09Å; E127-F129 HydrophobicContact CB-CE2 3.76Å; E127-F129 HydrophobicContact CB-CZ 3.91Å; E127-F129 VanDerWaalsContact O-CE2 3.29Å; E127-F129 WeakPolarHBondContact O-CE2 3.35Å |
| 128 | G | 98.6 | Very high | 97.8 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 147 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y102 Y104 | Y102-G128 CarbonylContact O-C 3.2Å; Y102-G128 WeakPolarHBondContact O-CA 3.43Å; Y104-G128 WeakPolarHBondContact CE2-O 2.95Å; Y104-G128 VanDerWaalsContact CZ-C 3.48Å; Y104-G128 VanDerWaalsContact CZ-CA 3.41Å |
| 129 | F | 98.9 | Very high | 97.8 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 19% | 0.189 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136.9 | -178.6 | -58.1 | -95.2 | 0 | 0 | 0 | 112.7 | L18 A19 A22 F101 Y102 N103 Y104 E127 D131 | L18-F129 HydrophobicContact CB-CB 3.65Å; L18-F129 HydrophobicContact CB-CD1 4.05Å; L18-F129 HydrophobicContact CB-CG 3.93Å; L18-F129 HydrophobicContact CD1-CB 4.09Å; A19-F129 HydrophobicContact CB-CD2 3.83Å; A19-F129 HydrophobicContact CB-CE2 4.31Å; A22-F129 HydrophobicContact CB-CE1 3.88Å; A22-F129 HydrophobicContact CB-CE2 4.06Å; A22-F129 HydrophobicContact CB-CZ 3.43Å; A22-F129 VanDerWaalsContact CB-CZ 3.43Å; F101-F129 HydrophobicContact CB-CE2 4.43Å; F101-F129 AromaticContact CD1-CE2 3.8Å; F101-F129 HydrophobicContact CD1-CE2 3.8Å; F101-F129 HydrophobicContact CD1-CZ 4.01Å; Y102-F129 PolarHBondContact O-N 3.43Å; N103-F129 CarbonylContact C-O 3.13Å; N103-F129 WeakPolarHBondContact CA-O 3.2Å; Y104-F129 VanDerWaalsContact CD2-C 3.41Å; Y104-F129 PolarHBondContact N-O 3.32Å; E127-F129 HydrophobicContact CB-CE2 3.76Å; E127-F129 HydrophobicContact CB-CZ 3.91Å; E127-F129 VanDerWaalsContact O-CE2 3.29Å; E127-F129 WeakPolarHBondContact O-CE2 3.35Å; F129-D131 PolarHBondContact O-N 2.97Å |
| 130 | D | 98.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | trans | -76.9 | 62 | 176.6 | -64.8 | -75.4 | 0 | 0 | 0 | 112.6 | Y106 V133 P136 | Y106-D130 WeakPolarHBondContact OH-CA 3.39Å; Y106-D130 WeakPolarHBondContact OH-CB 3.24Å; Y106-D130 PolarHBondContact OH-OD1 3.06Å; D130-V133 HydrophobicContact CB-CG2 3.98Å; D130-P136 HydrophobicContact CB-CB 3.68Å; D130-P136 VanDerWaalsContact CG-CB 3.43Å; D130-P136 WeakPolarHBondContact OD2-CB 3.42Å | ||
| 131 | D | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -31.7 | -171.3 | 176.9 | 77.9 | 0 | 0 | 0 | 114.1 | R13 L18 N103 F129 V133 R250 | R13-D131 IonicContact CZ-OD2 2.76Å; R13-D131 IonicContact NH1-OD2 3.31Å; R13-D131 PolarHBondContact NH1-OD2 3.35Å; R13-D131 IonicContact NH2-OD1 3.23Å; R13-D131 PolarHBondContact NH2-OD1 3.42Å; R13-D131 IonicContact NH2-OD2 3.44Å; R13-D131 PolarHBondContact NH2-OD2 2.89Å; L18-D131 HydrophobicContact CB-CB 4.23Å; L18-D131 HydrophobicContact CD1-CB 4.14Å; L18-D131 HydrophobicContact CG-CB 4.1Å; L18-D131 WeakPolarHBondContact CG-OD1 3.38Å; L18-D131 PolarHBondContact N-OD1 3.05Å; L18-D131 VanDerWaalsContact N-OD1 3.12Å; N103-D131 HydrophobicContact CB-CB 3.7Å; N103-D131 WeakPolarHBondContact OD1-CB 3.13Å; F129-D131 PolarHBondContact O-N 2.97Å; D131-V133 PolarHBondContact O-N 3.11Å; D131-R250 PolarHBondContact O-NH1 2.71Å; D131-R250 PolarHBondContact O-NH2 3.39Å; D131-R250 IonicContact OD1-CZ 3.69Å; D131-R250 IonicContact OD1-NH2 3.86Å; D131-R250 PolarHBondContact OD1-NH2 2.78Å |
| 132 | S | 98.7 | Very high | 97.9 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 12% | 0.119 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 1.1 | -175.5 | 60 | 0 | 0 | 0 | 0 | 113.9 | Y106 R279 | Y106-S132 WeakPolarHBondContact CE2-OG 3.41Å; S132-R279 PolarHBondContact O-NH1 3.44Å; S132-R279 PolarHBondContact O-NH2 3.02Å |
| 133 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -129.1 | 162 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 111.1 | Y106 D130 D131 L135 R250 E280 R283 | Y106-V133 HydrophobicContact CE2-CG1 3.73Å; Y106-V133 HydrophobicContact CE2-CG2 4.44Å; Y106-V133 VanDerWaalsContact OH-CG2 3.28Å; Y106-V133 WeakPolarHBondContact OH-CG2 3.46Å; D130-V133 HydrophobicContact CB-CG2 3.98Å; D131-V133 PolarHBondContact O-N 3.11Å; V133-L135 VanDerWaalsContact CG2-O 3.3Å; V133-L135 WeakPolarHBondContact CG2-O 3.46Å; V133-R250 PolarHBondContact O-NH1 2.77Å; V133-E280 WeakPolarHBondContact CA-OE1 3.36Å; V133-E280 VanDerWaalsContact CB-OE1 3.31Å; V133-E280 WeakPolarHBondContact CB-OE1 3.48Å; V133-R283 HydrophobicContact CG1-CB 4.11Å |
| 134 | I | 98.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -81.6 | -51.7 | 172.3 | -65.8 | 162.7 | 0 | 0 | 0 | 109.2 | W158 L162 P167 P249 R250 L253 E280 | I134-W158 HydrophobicContact CB-CZ2 3.85Å; I134-W158 HydrophobicContact CD1-CH2 4.1Å; I134-W158 HydrophobicContact CD1-CZ2 3.89Å; I134-W158 HydrophobicContact CG1-CZ2 4.48Å; I134-W158 HydrophobicContact CG2-CH2 4.22Å; I134-W158 HydrophobicContact CG2-CZ2 3.75Å; I134-L162 HydrophobicContact CG2-CD1 3.8Å; I134-P167 HydrophobicContact CG2-CG 3.96Å; I134-P167 WeakPolarHBondContact O-CG 3.36Å; I134-P249 HydrophobicContact CD1-CB 4.2Å; I134-P249 HydrophobicContact CG1-CB 3.8Å; I134-P249 HydrophobicContact CG1-CG 4.04Å; I134-R250 HydrophobicContact CG1-CG 4.25Å; I134-L253 HydrophobicContact CD1-CB 3.99Å; I134-L253 HydrophobicContact CD1-CD2 4.28Å; I134-L253 HydrophobicContact CG2-CD2 3.84Å; I134-E280 WeakPolarHBondContact CB-OE2 3.34Å; I134-E280 VanDerWaalsContact N-CD 3.29Å; I134-E280 PolarHBondContact N-OE1 2.6Å; I134-E280 PolarHBondContact N-OE2 3.45Å |
| 135 | L | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -109.8 | 134.9 | 173.9 | -63.9 | -177.7 | 0 | 0 | 0 | 109.1 | V133 A139 V140 W158 R161 L162 E280 H284 | V133-L135 VanDerWaalsContact CG2-O 3.3Å; V133-L135 WeakPolarHBondContact CG2-O 3.46Å; L135-A139 HydrophobicContact CB-CB 4.37Å; L135-V140 HydrophobicContact CD1-CG2 3.9Å; L135-W158 HydrophobicContact CD1-CD2 4.1Å; L135-W158 HydrophobicContact CD1-CG 4.02Å; L135-W158 HydrophobicContact CG-CZ2 4.45Å; L135-R161 HydrophobicContact CD1-CB 4.01Å; L135-R161 HydrophobicContact CD1-CG 4.11Å; L135-L162 HydrophobicContact CD1-CB 4.34Å; L135-L162 HydrophobicContact CD2-CD1 4.23Å; L135-L162 HydrophobicContact CG-CD1 4.44Å; L135-E280 PolarHBondContact N-OE2 3.17Å; L135-H284 PolarHBondContact O-CE1 3.06Å; L135-H284 VanDerWaalsContact O-CE1 3.25Å; L135-H284 PolarHBondContact O-NE2 3.31Å |
| 136 | P | 98.5 | Very high | 98.2 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | trans | -69.5 | 148.9 | -176.3 | 27.9 | -34.2 | 0 | 0 | 0 | 112 | D130 G138 A139 H284 | D130-P136 HydrophobicContact CB-CB 3.68Å; D130-P136 VanDerWaalsContact CG-CB 3.43Å; D130-P136 WeakPolarHBondContact OD2-CB 3.42Å; P136-G138 PolarHBondContact O-N 2.99Å; P136-A139 HydrophobicContact CG-CB 3.97Å; P136-A139 VanDerWaalsContact O-CB 3.24Å; P136-A139 WeakPolarHBondContact O-CB 3.48Å; P136-A139 PolarHBondContact O-N 2.96Å; P136-H284 PolarHBondContact O-CE1 3.31Å; P136-H284 VanDerWaalsContact O-CE1 3.22Å | ||
| 137 | P | 98.5 | Very high | 98.2 | Very high | 26 Ų | 26 | 43 Ų | 43 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 127.1 | 169 | -26.1 | 35.7 | 0 | 0 | 0 | 111 | Y106 T287 Y288 | Y106-P137 HydrophobicContact CD1-CG 4.09Å; Y106-P137 HydrophobicContact CE1-CG 3.77Å; P137-T287 HydrophobicContact CB-CG2 3.77Å; P137-T287 HydrophobicContact CG-CG2 4.16Å; P137-Y288 HydrophobicContact CB-CE2 4.13Å |
| 138 | G | 98.1 | Very high | 98.1 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.6 | -13.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P136 V140 M141 Y288 | P136-G138 PolarHBondContact O-N 2.99Å; G138-V140 VanDerWaalsContact C-N 3.31Å; G138-M141 VanDerWaalsContact O-CG 3.3Å; G138-M141 WeakPolarHBondContact O-CG 3.27Å; G138-Y288 WeakPolarHBondContact CA-OH 3.4Å; G138-Y288 PolarHBondContact N-OH 2.67Å |
| 139 | A | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 45.3 Ų | 45.3 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -73 | -24.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | L135 P136 | L135-A139 HydrophobicContact CB-CB 4.37Å; P136-A139 HydrophobicContact CG-CB 3.97Å; P136-A139 VanDerWaalsContact O-CB 3.24Å; P136-A139 WeakPolarHBondContact O-CB 3.48Å; P136-A139 PolarHBondContact O-N 2.96Å |
| 140 | V | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -123.7 | 90.7 | -175.1 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | L135 G138 Y148 F154 A157 W158 R161 | L135-V140 HydrophobicContact CD1-CG2 3.9Å; G138-V140 VanDerWaalsContact C-N 3.31Å; V140-Y148 HydrophobicContact CG1-CD2 4.2Å; V140-Y148 HydrophobicContact CG1-CE2 4.06Å; V140-F154 HydrophobicContact CB-CD2 4.42Å; V140-F154 HydrophobicContact CB-CE2 3.96Å; V140-F154 HydrophobicContact CG1-CD2 3.85Å; V140-F154 HydrophobicContact CG1-CE2 3.85Å; V140-A157 HydrophobicContact CG1-CB 3.66Å; V140-W158 HydrophobicContact CG1-CB 4.15Å; V140-W158 HydrophobicContact CG2-CB 4.17Å; V140-W158 HydrophobicContact CG2-CG 4.31Å; V140-R161 HydrophobicContact CG2-CB 4.29Å |
| 141 | M | 98.2 | Very high | 97.9 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -118.3 | 158.2 | -174.6 | -57.4 | -62.4 | -82.5 | 0 | 0 | 111.8 | G138 H145 E146 Y148 Y288 | G138-M141 VanDerWaalsContact O-CG 3.3Å; G138-M141 WeakPolarHBondContact O-CG 3.27Å; M141-H145 WeakPolarHBondContact CE-O 3.46Å; M141-E146 VanDerWaalsContact CE-C 3.48Å; M141-Y148 WeakPolarHBondContact O-CE2 3.37Å; M141-Y148 PolarHBondContact O-OH 2.75Å; M141-Y288 HydrophobicContact CE-CD1 4.49Å; M141-Y288 HydrophobicContact CE-CE1 3.67Å; M141-Y288 HydrophobicContact CE-CE2 4.43Å; M141-Y288 HydrophobicContact SD-CE1 4.36Å; M141-Y288 HydrophobicContact SD-CE2 4.06Å |
| 142 | T | 97.7 | Very high | 97.8 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 20% | 0.202 | 28% | 0.282 | C | S | . | . | trans | -69.5 | 169.2 | 169.3 | 69 | 0 | 0 | 0 | 0 | 110.7 | N144 H145 E146 Y148 | T142-N144 PolarHBondContact O-N 3.37Å; T142-N144 VanDerWaalsContact O-N 3.13Å; T142-N144 PolarHBondContact OG1-N 3.08Å; T142-H145 PolarHBondContact O-N 3.32Å; T142-E146 WeakPolarHBondContact CG2-O 3.38Å; T142-E146 PolarHBondContact N-O 3.23Å; T142-E146 PolarHBondContact OG1-N 3.35Å; T142-E146 VanDerWaalsContact OG1-N 3.14Å; T142-E146 PolarHBondContact OG1-O 3.32Å; T142-Y148 HydrophobicContact CG2-CD1 3.71Å; T142-Y148 HydrophobicContact CG2-CD2 4.17Å; T142-Y148 HydrophobicContact CG2-CE1 3.78Å; T142-Y148 HydrophobicContact CG2-CE2 4.25Å; T142-Y148 HydrophobicContact CG2-CG 3.9Å | ||
| 143 | G | 95.6 | Very high | 97.8 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 74% | 0.742 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | H145 | G143-H145 VanDerWaalsContact C-N 3.32Š|
| 144 | N | 96.5 | Very high | 97.8 | Very high | 134 Ų | 134 | 49.9 Ų | 49.9 | 72% | 0.717 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 11.4 | 175.6 | -67.3 | -11.8 | 0 | 0 | 0 | 112.9 | T142 E146 | T142-N144 PolarHBondContact O-N 3.37Å; T142-N144 VanDerWaalsContact O-N 3.13Å; T142-N144 PolarHBondContact OG1-N 3.08Å; N144-E146 VanDerWaalsContact C-N 3.26Å; N144-E146 HydrophobicContact CB-CG 4.47Å; N144-E146 PolarHBondContact O-N 3.11Å |
| 145 | H | 96.7 | Very high | 97.8 | Very high | 156 Ų | 156 | 52.1 Ų | 52.1 | 72% | 0.722 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 58.6 | 35.6 | -176.1 | -52.6 | 83.3 | 0 | 0 | 0 | 113.3 | M141 T142 G143 | M141-H145 WeakPolarHBondContact CE-O 3.46Å; T142-H145 PolarHBondContact O-N 3.32Å; G143-H145 VanDerWaalsContact C-N 3.32Å |
| 146 | E | 97.8 | Very high | 97.8 | Very high | 96 Ų | 96 | 56.3 Ų | 56.3 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | trans | -106.8 | 158.1 | 170.2 | -60.2 | -173.5 | 117.6 | 0 | 0 | 110.9 | M141 T142 N144 | M141-E146 VanDerWaalsContact CE-C 3.48Å; T142-E146 WeakPolarHBondContact CG2-O 3.38Å; T142-E146 PolarHBondContact N-O 3.23Å; T142-E146 PolarHBondContact OG1-N 3.35Å; T142-E146 VanDerWaalsContact OG1-N 3.14Å; T142-E146 PolarHBondContact OG1-O 3.32Å; N144-E146 VanDerWaalsContact C-N 3.26Å; N144-E146 HydrophobicContact CB-CG 4.47Å; N144-E146 PolarHBondContact O-N 3.11Å | ||
| 147 | M | 98.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 139.2 | 169.2 | 177.3 | 54 | -165.6 | 0 | 0 | 110.7 | F154 F281 H284 L285 Y288 Y289 | M147-F154 HydrophobicContact CE-CD2 3.73Å; M147-F154 HydrophobicContact CE-CE2 3.67Å; M147-F154 HydrophobicContact SD-CD2 4.47Å; M147-F154 HydrophobicContact SD-CE2 4.34Å; M147-F281 HydrophobicContact CE-CD2 3.74Å; M147-F281 HydrophobicContact CE-CE2 3.87Å; M147-H284 HydrophobicContact CE-CB 3.43Å; M147-H284 VanDerWaalsContact CE-CB 3.43Å; M147-H284 HydrophobicContact SD-CB 3.8Å; M147-L285 HydrophobicContact CE-CB 4.36Å; M147-L285 HydrophobicContact CG-CD1 4.22Å; M147-Y288 HydrophobicContact CB-CD1 4.23Å; M147-Y288 HydrophobicContact CB-CD2 3.68Å; M147-Y288 HydrophobicContact CB-CE2 4.42Å; M147-Y288 HydrophobicContact CB-CG 3.57Å; M147-Y288 HydrophobicContact CG-CD2 3.95Å; M147-Y288 HydrophobicContact CG-CG 4.2Å; M147-Y288 HydrophobicContact SD-CD2 4.27Å; M147-Y289 HydrophobicContact CB-CE2 4.17Å; M147-Y289 HydrophobicContact CG-CE2 4.28Å |
| 148 | Y | 98.2 | Very high | 97.8 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | trans | -61.8 | 140.6 | 174 | -76.7 | -85.4 | 0 | 0 | 0 | 111.4 | V140 M141 T142 P153 F154 A157 F281 | V140-Y148 HydrophobicContact CG1-CD2 4.2Å; V140-Y148 HydrophobicContact CG1-CE2 4.06Å; M141-Y148 WeakPolarHBondContact O-CE2 3.37Å; M141-Y148 PolarHBondContact O-OH 2.75Å; T142-Y148 HydrophobicContact CG2-CD1 3.71Å; T142-Y148 HydrophobicContact CG2-CD2 4.17Å; T142-Y148 HydrophobicContact CG2-CE1 3.78Å; T142-Y148 HydrophobicContact CG2-CE2 4.25Å; T142-Y148 HydrophobicContact CG2-CG 3.9Å; Y148-P153 HydrophobicContact CD1-CB 3.92Å; Y148-P153 HydrophobicContact CD1-CG 4.08Å; Y148-P153 HydrophobicContact CE1-CB 3.84Å; Y148-P153 HydrophobicContact CE1-CG 4.48Å; Y148-F154 HydrophobicContact CD2-CB 4.3Å; Y148-F154 HydrophobicContact CD2-CD2 4Å; Y148-F154 HydrophobicContact CG-CB 3.98Å; Y148-F154 HydrophobicContact CG-CD2 4.35Å; Y148-A157 HydrophobicContact CE2-CB 3.66Å; Y148-F281 WeakPolarHBondContact O-CE2 3.41Å | ||
| 149 | K | 96.1 | Very high | 97.8 | Very high | 95 Ų | 95 | 53.5 Ų | 53.5 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -106.3 | -2.9 | 178.3 | -58.8 | 175.6 | -178.3 | 164.8 | 0 | 113.7 | Y289 F298 T391 | K149-Y289 WeakPolarHBondContact CE-OH 3.32Å; K149-F298 HydrophobicContact CB-CZ 4.45Å; K149-F298 HydrophobicContact CD-CE1 4.39Å; K149-F298 HydrophobicContact CD-CZ 4.02Å; K149-F298 HydrophobicContact CG-CZ 3.97Å; K149-T391 HydrophobicContact CB-CG2 4.47Å; K149-T391 WeakPolarHBondContact O-CB 3.43Å |
| 150 | V | 96.9 | Very high | 97.8 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -132 | 137.5 | -178.4 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | P153 F154 | V150-P153 HydrophobicContact CB-CG 3.78Å; V150-P153 HydrophobicContact CG1-CG 4.12Å; V150-P153 WeakPolarHBondContact O-CD 3.33Å; V150-P153 WeakPolarHBondContact O-CG 3.4Å; V150-F154 PolarHBondContact O-N 3.03Å |
| 151 | F | 98 | Very high | 97.8 | Very high | 12 Ų | 12 | 64 Ų | 64 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.2 | -45 | -170.9 | 173.8 | -103.4 | 0 | 0 | 0 | 113 | F154 K155 I277 W278 F281 D392 | F151-F154 CarbonylContact O-C 3.19Å; F151-F154 WeakPolarHBondContact O-CB 3.42Å; F151-F154 PolarHBondContact O-N 3.01Å; F151-F154 VanDerWaalsContact O-N 3.14Å; F151-K155 HydrophobicContact CE1-CB 4.17Å; F151-K155 HydrophobicContact CE1-CD 3.81Å; F151-K155 HydrophobicContact CE2-CB 4.43Å; F151-K155 HydrophobicContact CZ-CB 4.1Å; F151-K155 HydrophobicContact CZ-CD 3.96Å; F151-K155 HydrophobicContact CZ-CG 4.42Å; F151-K155 WeakPolarHBondContact O-CB 3.37Å; F151-K155 PolarHBondContact O-N 3.22Å; F151-I277 HydrophobicContact CE2-CB 4.21Å; F151-I277 HydrophobicContact CE2-CG2 3.79Å; F151-I277 HydrophobicContact CZ-CB 4.26Å; F151-I277 HydrophobicContact CZ-CG2 4.11Å; F151-W278 HydrophobicContact CB-CE3 4.34Å; F151-W278 HydrophobicContact CB-CH2 3.31Å; F151-W278 HydrophobicContact CB-CZ2 3.6Å; F151-W278 HydrophobicContact CB-CZ3 3.72Å; F151-W278 HydrophobicContact CD1-CD2 4.27Å; F151-W278 AromaticContact CD1-CE2 3.54Å; F151-W278 HydrophobicContact CD1-CH2 4.13Å; F151-W278 AromaticContact CD1-CZ2 3.47Å; F151-W278 HydrophobicContact CD1-CZ2 3.47Å; F151-W278 VanDerWaalsContact CD1-CZ2 3.47Å; F151-W278 AromaticContact CD1-NE1 3.81Å; F151-W278 AromaticContact CD2-CD2 3.47Å; F151-W278 HydrophobicContact CD2-CD2 3.47Å; F151-W278 VanDerWaalsContact CD2-CD2 3.47Å; F151-W278 AromaticContact CD2-CE2 3.64Å; F151-W278 AromaticContact CD2-CE3 3.59Å; F151-W278 HydrophobicContact CD2-CE3 3.59Å; F151-W278 HydrophobicContact CD2-CG 4.06Å; F151-W278 HydrophobicContact CD2-CH2 4.04Å; F151-W278 AromaticContact CD2-CZ2 3.93Å; F151-W278 HydrophobicContact CD2-CZ2 3.93Å; F151-W278 AromaticContact CD2-CZ3 3.88Å; F151-W278 HydrophobicContact CD2-CZ3 3.88Å; F151-W278 HydrophobicContact CE1-CD2 4.32Å; F151-W278 AromaticContact CE1-CE2 3.69Å; F151-W278 HydrophobicContact CE1-CG 4.49Å; F151-W278 HydrophobicContact CE1-CZ2 4.08Å; F151-W278 AromaticContact CE1-NE1 3.46Å; F151-W278 HydrophobicContact CE2-CB 4.22Å; F151-W278 AromaticContact CE2-CD1 3.84Å; F151-W278 AromaticContact CE2-CD2 3.54Å; F151-W278 HydrophobicContact CE2-CD2 3.54Å; F151-W278 AromaticContact CE2-CE2 3.78Å; F151-W278 HydrophobicContact CE2-CE3 4.07Å; F151-W278 AromaticContact CE2-CG 3.59Å; F151-W278 HydrophobicContact CE2-CG 3.59Å; F151-W278 HydrophobicContact CE2-CZ2 4.48Å; F151-W278 AromaticContact CE2-NE1 3.92Å; F151-W278 AromaticContact CG-CD2 3.86Å; F151-W278 HydrophobicContact CG-CD2 3.86Å; F151-W278 AromaticContact CG-CE2 3.51Å; F151-W278 HydrophobicContact CG-CE3 4.02Å; F151-W278 AromaticContact CG-CH2 3.57Å; F151-W278 HydrophobicContact CG-CH2 3.57Å; F151-W278 AromaticContact CG-CZ2 3.37Å; F151-W278 HydrophobicContact CG-CZ2 3.37Å; F151-W278 AromaticContact CG-CZ3 3.89Å; F151-W278 HydrophobicContact CG-CZ3 3.89Å; F151-W278 AromaticContact CZ-CD1 3.58Å; F151-W278 AromaticContact CZ-CD2 3.97Å; F151-W278 HydrophobicContact CZ-CD2 3.97Å; F151-W278 AromaticContact CZ-CE2 3.8Å; F151-W278 AromaticContact CZ-CG 3.83Å; F151-W278 HydrophobicContact CZ-CG 3.83Å; F151-W278 AromaticContact CZ-NE1 3.52Å; F151-F281 HydrophobicContact CD2-CB 4.04Å; F151-F281 HydrophobicContact CD2-CD1 4.27Å; F151-F281 HydrophobicContact CD2-CG 4.11Å; F151-F281 HydrophobicContact CE2-CB 4.43Å; F151-D392 VanDerWaalsContact CB-OD2 3.25Å; F151-D392 WeakPolarHBondContact CB-OD2 3.35Å; F151-D392 PolarHBondContact N-OD2 2.87Å |
| 152 | T | 97.9 | Very high | 97.8 | Very high | 86 Ų | 86 | 62 Ų | 62 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.3 | -51.9 | -177.4 | -62.4 | 0 | 0 | 0 | 0 | 113.4 | F154 K155 N156 | T152-F154 PolarHBondContact O-N 2.78Å; T152-K155 PolarHBondContact O-N 2.99Å; T152-N156 PolarHBondContact O-N 3.21Å; T152-N156 VanDerWaalsContact O-N 3.12Å; T152-N156 PolarHBondContact O-ND2 3.47Å |
| 153 | P | 98.2 | Very high | 97.8 | Very high | 51 Ų | 51 | 66.7 Ų | 66.7 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -33.6 | 176.2 | 26.9 | -33.9 | 0 | 0 | 0 | 112.7 | Y148 V150 N156 A157 | Y148-P153 HydrophobicContact CD1-CB 3.92Å; Y148-P153 HydrophobicContact CD1-CG 4.08Å; Y148-P153 HydrophobicContact CE1-CB 3.84Å; Y148-P153 HydrophobicContact CE1-CG 4.48Å; V150-P153 HydrophobicContact CB-CG 3.78Å; V150-P153 HydrophobicContact CG1-CG 4.12Å; V150-P153 WeakPolarHBondContact O-CD 3.33Å; V150-P153 WeakPolarHBondContact O-CG 3.4Å; P153-N156 PolarHBondContact O-N 3.19Å; P153-A157 WeakPolarHBondContact O-CB 3.18Å; P153-A157 PolarHBondContact O-N 3.2Å |
| 154 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -51 | 171.8 | 174.8 | -97 | 0 | 0 | 0 | 111.4 | V140 M147 Y148 V150 F151 T152 N156 A157 W158 I277 E280 F281 H284 | V140-F154 HydrophobicContact CB-CD2 4.42Å; V140-F154 HydrophobicContact CB-CE2 3.96Å; V140-F154 HydrophobicContact CG1-CD2 3.85Å; V140-F154 HydrophobicContact CG1-CE2 3.85Å; M147-F154 HydrophobicContact CE-CD2 3.73Å; M147-F154 HydrophobicContact CE-CE2 3.67Å; M147-F154 HydrophobicContact SD-CD2 4.47Å; M147-F154 HydrophobicContact SD-CE2 4.34Å; Y148-F154 HydrophobicContact CD2-CB 4.3Å; Y148-F154 HydrophobicContact CD2-CD2 4Å; Y148-F154 HydrophobicContact CG-CB 3.98Å; Y148-F154 HydrophobicContact CG-CD2 4.35Å; V150-F154 PolarHBondContact O-N 3.03Å; F151-F154 CarbonylContact O-C 3.19Å; F151-F154 WeakPolarHBondContact O-CB 3.42Å; F151-F154 PolarHBondContact O-N 3.01Å; F151-F154 VanDerWaalsContact O-N 3.14Å; T152-F154 PolarHBondContact O-N 2.78Å; F154-N156 VanDerWaalsContact C-N 3.3Å; F154-N156 PolarHBondContact O-N 3.37Å; F154-A157 PolarHBondContact O-N 3.03Å; F154-W158 HydrophobicContact CD1-CB 4.5Å; F154-W158 HydrophobicContact CE1-CB 4.26Å; F154-W158 AromaticContact CE1-CD1 3.91Å; F154-W158 HydrophobicContact CE1-CG 4.28Å; F154-W158 HydrophobicContact CZ-CB 4.49Å; F154-W158 AromaticContact CZ-CD1 3.73Å; F154-W158 HydrophobicContact CZ-CG 4.42Å; F154-W158 WeakPolarHBondContact O-CB 3.35Å; F154-W158 PolarHBondContact O-N 3.48Å; F154-I277 HydrophobicContact CD1-CG2 4.08Å; F154-I277 HydrophobicContact CE1-CG2 3.89Å; F154-E280 HydrophobicContact CE1-CB 4.33Å; F154-E280 HydrophobicContact CZ-CB 4.39Å; F154-F281 HydrophobicContact CB-CD2 3.9Å; F154-F281 HydrophobicContact CB-CE2 4.18Å; F154-F281 HydrophobicContact CD1-CB 3.77Å; F154-F281 AromaticContact CD1-CD2 3.67Å; F154-F281 HydrophobicContact CD1-CD2 3.67Å; F154-F281 HydrophobicContact CD1-CG 4.12Å; F154-F281 AromaticContact CD2-CD2 3.99Å; F154-F281 HydrophobicContact CD2-CD2 3.99Å; F154-F281 HydrophobicContact CE1-CB 3.65Å; F154-F281 HydrophobicContact CE1-CD2 4.16Å; F154-F281 HydrophobicContact CE1-CG 4.4Å; F154-F281 HydrophobicContact CE2-CD2 4.43Å; F154-F281 AromaticContact CG-CD2 3.57Å; F154-F281 HydrophobicContact CG-CD2 3.57Å; F154-F281 HydrophobicContact CG-CE2 4.27Å; F154-F281 HydrophobicContact CG-CG 4.45Å; F154-F281 HydrophobicContact CZ-CB 4.32Å; F154-H284 HydrophobicContact CE2-CB 4.33Å; F154-H284 AromaticContact CE2-ND1 3.83Å; F154-H284 HydrophobicContact CZ-CB 4.46Å |
| 155 | K | 98.7 | Very high | 97.9 | Very high | 54 Ų | 54 | 64.5 Ų | 64.5 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 178.9 | 173.6 | 178 | 177.6 | 176.6 | 0 | 111.5 | F151 T152 W158 L159 S274 I277 | F151-K155 HydrophobicContact CE1-CB 4.17Å; F151-K155 HydrophobicContact CE1-CD 3.81Å; F151-K155 HydrophobicContact CE2-CB 4.43Å; F151-K155 HydrophobicContact CZ-CB 4.1Å; F151-K155 HydrophobicContact CZ-CD 3.96Å; F151-K155 HydrophobicContact CZ-CG 4.42Å; F151-K155 WeakPolarHBondContact O-CB 3.37Å; F151-K155 PolarHBondContact O-N 3.22Å; T152-K155 PolarHBondContact O-N 2.99Å; K155-W158 PolarHBondContact O-N 3.31Å; K155-L159 HydrophobicContact CG-CD1 4.1Å; K155-L159 WeakPolarHBondContact O-CB 3.43Å; K155-L159 WeakPolarHBondContact O-CG 3.39Å; K155-L159 PolarHBondContact O-N 3.38Å; K155-S274 PolarHBondContact NZ-OG 3.3Å; K155-I277 HydrophobicContact CB-CG2 4.1Å; K155-I277 HydrophobicContact CG-CD1 3.98Å; K155-I277 HydrophobicContact CG-CG2 4.26Å |
| 156 | N | 98.3 | Very high | 98 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.7 | -68.5 | -19.1 | 0 | 0 | 0 | 111.6 | T152 P153 F154 K160 | T152-N156 PolarHBondContact O-N 3.21Å; T152-N156 VanDerWaalsContact O-N 3.12Å; T152-N156 PolarHBondContact O-ND2 3.47Å; P153-N156 PolarHBondContact O-N 3.19Å; F154-N156 VanDerWaalsContact C-N 3.3Å; F154-N156 PolarHBondContact O-N 3.37Å; N156-K160 WeakPolarHBondContact O-CB 3.35Å; N156-K160 PolarHBondContact O-N 2.98Å |
| 157 | A | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V140 Y148 P153 F154 K160 R161 | V140-A157 HydrophobicContact CG1-CB 3.66Å; Y148-A157 HydrophobicContact CE2-CB 3.66Å; P153-A157 WeakPolarHBondContact O-CB 3.18Å; P153-A157 PolarHBondContact O-N 3.2Å; F154-A157 PolarHBondContact O-N 3.03Å; A157-K160 PolarHBondContact O-N 3.13Å; A157-R161 WeakPolarHBondContact O-CB 3.39Å; A157-R161 PolarHBondContact O-N 3.48Å |
| 158 | W | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 177.5 | -174.2 | 103.3 | 0 | 0 | 0 | 111.1 | I134 L135 V140 F154 K155 K160 R161 L162 I277 E280 | I134-W158 HydrophobicContact CB-CZ2 3.85Å; I134-W158 HydrophobicContact CD1-CH2 4.1Å; I134-W158 HydrophobicContact CD1-CZ2 3.89Å; I134-W158 HydrophobicContact CG1-CZ2 4.48Å; I134-W158 HydrophobicContact CG2-CH2 4.22Å; I134-W158 HydrophobicContact CG2-CZ2 3.75Å; L135-W158 HydrophobicContact CD1-CD2 4.1Å; L135-W158 HydrophobicContact CD1-CG 4.02Å; L135-W158 HydrophobicContact CG-CZ2 4.45Å; V140-W158 HydrophobicContact CG1-CB 4.15Å; V140-W158 HydrophobicContact CG2-CB 4.17Å; V140-W158 HydrophobicContact CG2-CG 4.31Å; F154-W158 HydrophobicContact CD1-CB 4.5Å; F154-W158 HydrophobicContact CE1-CB 4.26Å; F154-W158 AromaticContact CE1-CD1 3.91Å; F154-W158 HydrophobicContact CE1-CG 4.28Å; F154-W158 HydrophobicContact CZ-CB 4.49Å; F154-W158 AromaticContact CZ-CD1 3.73Å; F154-W158 HydrophobicContact CZ-CG 4.42Å; F154-W158 WeakPolarHBondContact O-CB 3.35Å; F154-W158 PolarHBondContact O-N 3.48Å; K155-W158 PolarHBondContact O-N 3.31Å; W158-K160 VanDerWaalsContact C-N 3.33Å; W158-K160 PolarHBondContact O-N 3.14Å; W158-R161 PolarHBondContact O-N 2.97Å; W158-L162 HydrophobicContact CE3-CB 4.46Å; W158-L162 HydrophobicContact CE3-CD2 4.46Å; W158-L162 HydrophobicContact CH2-CD1 4.32Å; W158-L162 HydrophobicContact CH2-CD2 3.7Å; W158-L162 HydrophobicContact CH2-CG 4.45Å; W158-L162 HydrophobicContact CZ3-CB 4.3Å; W158-L162 HydrophobicContact CZ3-CD2 3.55Å; W158-L162 HydrophobicContact CZ3-CG 4.4Å; W158-L162 WeakPolarHBondContact O-CB 3.38Å; W158-L162 PolarHBondContact O-N 3.47Å; W158-I277 HydrophobicContact CD2-CD1 4.41Å; W158-I277 HydrophobicContact CD2-CG1 4.12Å; W158-I277 HydrophobicContact CD2-CG2 4.35Å; W158-I277 HydrophobicContact CE3-CD1 3.62Å; W158-I277 HydrophobicContact CE3-CG1 3.72Å; W158-I277 HydrophobicContact CG-CG2 4.33Å; W158-I277 HydrophobicContact CH2-CG1 4.07Å; W158-I277 HydrophobicContact CZ2-CG1 4.41Å; W158-I277 HydrophobicContact CZ3-CD1 3.68Å; W158-I277 HydrophobicContact CZ3-CG1 3.7Å; W158-E280 HydrophobicContact CZ2-CG 4.14Å; W158-E280 PolarHBondContact NE1-OE2 2.74Å |
| 159 | L | 98.7 | Very high | 97.9 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -40 | 176.3 | -77.2 | 169.9 | 0 | 0 | 0 | 111.6 | K155 R163 L264 L273 I277 | K155-L159 HydrophobicContact CG-CD1 4.1Å; K155-L159 WeakPolarHBondContact O-CB 3.43Å; K155-L159 WeakPolarHBondContact O-CG 3.39Å; K155-L159 PolarHBondContact O-N 3.38Å; L159-R163 WeakPolarHBondContact O-CG 3.36Å; L159-R163 PolarHBondContact O-N 3.15Å; L159-L264 HydrophobicContact CD2-CD2 3.64Å; L159-L273 HydrophobicContact CD2-CD2 4.19Å; L159-I277 HydrophobicContact CD2-CD1 4.15Å; L159-I277 HydrophobicContact CG-CD1 4.16Å |
| 160 | K | 98.2 | Very high | 98 | Very high | 138 Ų | 138 | 62.9 Ų | 62.9 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.3 | -51.5 | 173.7 | -179.9 | -177.3 | 174.5 | -175.4 | 0 | 110.5 | N156 A157 W158 L162 R163 E164 | N156-K160 WeakPolarHBondContact O-CB 3.35Å; N156-K160 PolarHBondContact O-N 2.98Å; A157-K160 PolarHBondContact O-N 3.13Å; W158-K160 VanDerWaalsContact C-N 3.33Å; W158-K160 PolarHBondContact O-N 3.14Å; K160-L162 VanDerWaalsContact C-N 3.32Å; K160-L162 PolarHBondContact O-N 3.16Å; K160-R163 PolarHBondContact O-N 3.32Å; K160-R163 VanDerWaalsContact O-N 3.17Å; K160-E164 VanDerWaalsContact CE-OE1 3.31Å; K160-E164 WeakPolarHBondContact CE-OE1 3.4Å; K160-E164 PolarHBondContact O-N 2.72Å |
| 161 | R | 98.3 | Very high | 98.1 | Very high | 118 Ų | 118 | 63.8 Ų | 63.8 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | -177.7 | -171.9 | 57.7 | 179 | 156.9 | 5.4 | 112.3 | L135 V140 A157 W158 R163 E164 | L135-R161 HydrophobicContact CD1-CB 4.01Å; L135-R161 HydrophobicContact CD1-CG 4.11Å; V140-R161 HydrophobicContact CG2-CB 4.29Å; A157-R161 WeakPolarHBondContact O-CB 3.39Å; A157-R161 PolarHBondContact O-N 3.48Å; W158-R161 PolarHBondContact O-N 2.97Å; R161-R163 VanDerWaalsContact C-N 3.31Å; R161-R163 PolarHBondContact O-N 3.21Å; R161-E164 WeakPolarHBondContact CD-OE2 3.29Å; R161-E164 IonicContact CZ-OE2 3.48Å; R161-E164 IonicContact NE-OE2 3.98Å; R161-E164 IonicContact NH1-OE2 2.62Å; R161-E164 PolarHBondContact NH1-OE2 3.22Å; R161-E164 PolarHBondContact O-N 2.92Å |
| 162 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 174.9 | -172 | 70.7 | 0 | 0 | 0 | 112.1 | I134 L135 W158 K160 E164 G165 M166 L253 L264 | I134-L162 HydrophobicContact CG2-CD1 3.8Å; L135-L162 HydrophobicContact CD1-CB 4.34Å; L135-L162 HydrophobicContact CD2-CD1 4.23Å; L135-L162 HydrophobicContact CG-CD1 4.44Å; W158-L162 HydrophobicContact CE3-CB 4.46Å; W158-L162 HydrophobicContact CE3-CD2 4.46Å; W158-L162 HydrophobicContact CH2-CD1 4.32Å; W158-L162 HydrophobicContact CH2-CD2 3.7Å; W158-L162 HydrophobicContact CH2-CG 4.45Å; W158-L162 HydrophobicContact CZ3-CB 4.3Å; W158-L162 HydrophobicContact CZ3-CD2 3.55Å; W158-L162 HydrophobicContact CZ3-CG 4.4Å; W158-L162 WeakPolarHBondContact O-CB 3.38Å; W158-L162 PolarHBondContact O-N 3.47Å; K160-L162 VanDerWaalsContact C-N 3.32Å; K160-L162 PolarHBondContact O-N 3.16Å; L162-E164 VanDerWaalsContact C-N 3.29Å; L162-E164 PolarHBondContact O-N 3.43Å; L162-G165 CarbonylContact O-C 3.43Å; L162-G165 PolarHBondContact O-N 2.95Å; L162-M166 HydrophobicContact CD1-CB 4.4Å; L162-M166 HydrophobicContact CD1-CG 3.95Å; L162-M166 HydrophobicContact CD2-CE 4.26Å; L162-M166 HydrophobicContact CG-CE 4.29Å; L162-M166 HydrophobicContact CG-CG 4.27Å; L162-M166 WeakPolarHBondContact O-CA 3.34Å; L162-M166 PolarHBondContact O-N 2.92Å; L162-L253 HydrophobicContact CD1-CD2 4.02Å; L162-L253 HydrophobicContact CD2-CD1 4.3Å; L162-L253 HydrophobicContact CD2-CD2 4.14Å; L162-L264 HydrophobicContact CD2-CD2 3.65Å |
| 163 | R | 98 | Very high | 98.1 | Very high | 132 Ų | 132 | 60.7 Ų | 60.7 | 50% | 0.498 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.7 | -25.3 | 179.4 | -70.6 | 176.9 | -167.3 | -107.9 | 7.6 | 113.4 | L159 K160 R161 G165 L264 D265 | L159-R163 WeakPolarHBondContact O-CG 3.36Å; L159-R163 PolarHBondContact O-N 3.15Å; K160-R163 PolarHBondContact O-N 3.32Å; K160-R163 VanDerWaalsContact O-N 3.17Å; R161-R163 VanDerWaalsContact C-N 3.31Å; R161-R163 PolarHBondContact O-N 3.21Å; R163-G165 VanDerWaalsContact C-N 3.26Å; R163-L264 VanDerWaalsContact NH2-C 3.3Å; R163-L264 PolarHBondContact NH2-O 3.1Å; R163-D265 IonicContact CZ-OD1 3.19Å; R163-D265 IonicContact NH1-OD1 2.78Å; R163-D265 PolarHBondContact NH1-OD1 2.86Å; R163-D265 IonicContact NH2-OD1 2.88Å; R163-D265 PolarHBondContact NH2-OD1 2.97Å |
| 164 | E | 97.9 | Very high | 98.1 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.7 | -22.1 | 176.2 | -66.9 | 170.3 | 179.5 | 0 | 0 | 112.3 | K160 R161 L162 | K160-E164 VanDerWaalsContact CE-OE1 3.31Å; K160-E164 WeakPolarHBondContact CE-OE1 3.4Å; K160-E164 PolarHBondContact O-N 2.72Å; R161-E164 WeakPolarHBondContact CD-OE2 3.29Å; R161-E164 IonicContact CZ-OE2 3.48Å; R161-E164 IonicContact NE-OE2 3.98Å; R161-E164 IonicContact NH1-OE2 2.62Å; R161-E164 PolarHBondContact NH1-OE2 3.22Å; R161-E164 PolarHBondContact O-N 2.92Å; L162-E164 VanDerWaalsContact C-N 3.29Å; L162-E164 PolarHBondContact O-N 3.43Å |
| 165 | G | 96 | Very high | 98.1 | Very high | 49 Ų | 49 | 70.5 Ų | 70.5 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | trans | -177.3 | 92.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | L162 R163 | L162-G165 CarbonylContact O-C 3.43Å; L162-G165 PolarHBondContact O-N 2.95Å; R163-G165 VanDerWaalsContact C-N 3.26Å | ||
| 166 | M | 97.4 | Very high | 98 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 122.7 | 178.9 | -171.6 | 178.8 | -58.2 | 0 | 0 | 109.3 | L162 E168 L253 L257 L264 | L162-M166 HydrophobicContact CD1-CB 4.4Å; L162-M166 HydrophobicContact CD1-CG 3.95Å; L162-M166 HydrophobicContact CD2-CE 4.26Å; L162-M166 HydrophobicContact CG-CE 4.29Å; L162-M166 HydrophobicContact CG-CG 4.27Å; L162-M166 WeakPolarHBondContact O-CA 3.34Å; L162-M166 PolarHBondContact O-N 2.92Å; M166-E168 PolarHBondContact O-N 3.5Å; M166-L253 HydrophobicContact CG-CD2 4.17Å; M166-L253 HydrophobicContact SD-CD2 4.23Å; M166-L257 HydrophobicContact CE-CD1 3.66Å; M166-L257 HydrophobicContact SD-CD1 3.81Å; M166-L264 HydrophobicContact CE-CD1 3.62Å |
| 167 | P | 97.2 | Very high | 97.9 | Very high | 38 Ų | 38 | 69.3 Ų | 69.3 | 25% | 0.247 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 126.9 | -179.1 | 27.8 | -30.6 | 0 | 0 | 0 | 109.9 | I134 R250 H254 | I134-P167 HydrophobicContact CG2-CG 3.96Å; I134-P167 WeakPolarHBondContact O-CG 3.36Å; P167-R250 HydrophobicContact CG-CG 4.43Å; P167-H254 PolarHBondContact O-CE1 3.01Å; P167-H254 PolarHBondContact O-NE2 2.74Å |
| 168 | E | 97.1 | Very high | 97.7 | Very high | 159 Ų | 159 | 72.6 Ų | 72.6 | 74% | 0.743 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 157.7 | -179.3 | -59.7 | -175.3 | 167.5 | 0 | 0 | 112.5 | M166 | M166-E168 PolarHBondContact O-N 3.5Š|
| 169 | C | 98.5 | Very high | 97.6 | Very high | 48 Ų | 48 | 74 Ų | 74 | 32% | 0.324 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 129.4 | 166.6 | -75.4 | 0 | 0 | 0 | 0 | 110.8 | D16 | D16-C169 HydrophobicContact CB-CB 4.19Å; D16-C169 WeakPolarHBondContact OD1-CA 3.49Å; D16-C169 PolarHBondContact OD2-SG 2.91Å |
| 170 | V | 98.5 | Very high | 97.6 | Very high | 50 Ų | 50 | 76.4 Ų | 76.4 | 30% | 0.303 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 143.6 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | D16 L18 A21 | D16-V170 WeakPolarHBondContact CA-O 3.35Å; D16-V170 PolarHBondContact N-O 3.11Å; D16-V170 PolarHBondContact OD1-N 2.95Å; L18-V170 HydrophobicContact CD2-CG1 4.04Å; L18-V170 HydrophobicContact CD2-CG2 4Å; A21-V170 HydrophobicContact CB-CB 4Å; A21-V170 HydrophobicContact CB-CG2 3.64Å |
| 171 | A | 98 | Very high | 97.6 | Very high | 82 Ų | 82 | 72.9 Ų | 72.9 | 68% | 0.678 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -73 | 151.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 172 | A | 98.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 75.3 Ų | 75.3 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 146.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L14 | L14-A172 HydrophobicContact CB-CB 3.98Å; L14-A172 WeakPolarHBondContact O-CA 3.45Å |
| 173 | P | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 78 Ų | 78 | 7% | 0.065 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 147.5 | -177.7 | 26.2 | -34.9 | 0 | 0 | 0 | 112 | L20 C24 K69 I71 | L20-P173 HydrophobicContact CD1-CG 4.37Å; L20-P173 HydrophobicContact CD2-CG 3.88Å; L20-P173 HydrophobicContact CG-CG 4.01Å; C24-P173 HydrophobicContact CB-CB 3.71Å; K69-P173 VanDerWaalsContact CD-O 3.3Å; K69-P173 WeakPolarHBondContact CD-O 3.48Å; K69-P173 VanDerWaalsContact CE-O 3.25Å; K69-P173 WeakPolarHBondContact CE-O 3.49Å; K69-P173 HydrophobicContact CG-CG 4.49Å; I71-P173 HydrophobicContact CD1-CG 4.44Å |
| 174 | K | 98 | Very high | 97.4 | Very high | 186 Ų | 186 | 74.3 Ų | 74.3 | 81% | 0.809 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 161.9 | 166.4 | -62.1 | -176.7 | -177.4 | 179.9 | 0 | 109.7 | R176 | K174-R176 PolarHBondContact O-N 2.95Š|
| 175 | V | 98.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 74.6 Ų | 74.6 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.8 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | K69 | K69-V175 HydrophobicContact CD-CG2 4.25Å; K69-V175 WeakPolarHBondContact O-CA 3.41Å |
| 176 | R | 98 | Very high | 97.6 | Very high | 19 Ų | 19 | 76.8 Ų | 76.8 | 7% | 0.072 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 158.1 | 177.5 | -61.7 | -48.3 | -63.5 | 170.3 | -7.1 | 111.1 | C24 N26 S27 A29 K69 I71 K174 S178 G179 | C24-R176 PolarHBondContact O-NH1 2.99Å; N26-R176 PolarHBondContact O-NH2 3.03Å; S27-R176 PolarHBondContact O-NH2 3.03Å; A29-R176 PolarHBondContact O-NH2 3.18Å; K69-R176 VanDerWaalsContact O-CG 3.3Å; K69-R176 WeakPolarHBondContact O-CG 3.36Å; K69-R176 PolarHBondContact O-N 2.97Å; I71-R176 HydrophobicContact CG1-CG 3.81Å; K174-R176 PolarHBondContact O-N 2.95Å; R176-S178 PolarHBondContact O-N 3.33Å; R176-S178 VanDerWaalsContact O-N 3.14Å; R176-G179 PolarHBondContact O-N 3.23Å |
| 177 | S | 95.6 | Very high | 97.6 | Very high | 109 Ų | 109 | 74.1 Ų | 74.1 | 76% | 0.762 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.2 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | G179 | S177-G179 PolarHBondContact O-N 3.46Š|
| 178 | S | 95 | Very high | 97.7 | Very high | 91 Ų | 91 | 76.8 Ų | 76.8 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6.9 | 173.2 | 51.3 | 0 | 0 | 0 | 0 | 114 | R176 | R176-S178 PolarHBondContact O-N 3.33Å; R176-S178 VanDerWaalsContact O-N 3.14Å |
| 179 | G | 96.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | trans | 79.6 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | G70 R176 S177 | G70-G179 WeakPolarHBondContact CA-O 3.48Å; R176-G179 PolarHBondContact O-N 3.23Å; S177-G179 PolarHBondContact O-N 3.46Å | ||
| 180 | S | 97.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 72.4 Ų | 72.4 | 54% | 0.538 | 45% | 0.446 | S | S | . | . | trans | -64.4 | 155.8 | 172.2 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | E68 | E68-S180 WeakPolarHBondContact O-CB 3.45Å; E68-S180 PolarHBondContact O-OG 3.26Å | ||
| 181 | I | 98.5 | Very high | 97.8 | Very high | 63 Ų | 63 | 71.7 Ų | 71.7 | 32% | 0.323 | 44% | 0.438 | S | S | . | . | trans | -124.9 | 163.4 | 178.5 | 61.7 | 174.9 | 0 | 0 | 0 | 109.9 | A67 P72 | A67-I181 HydrophobicContact CB-CG1 3.97Å; A67-I181 WeakPolarHBondContact CB-O 3.4Å; A67-I181 PolarHBondContact O-N 3.09Å; P72-I181 HydrophobicContact CB-CD1 3.77Å; P72-I181 HydrophobicContact CG-CD1 4.4Å | ||
| 182 | E | 97.8 | Very high | 97.8 | Very high | 169 Ų | 169 | 72 Ų | 72 | 79% | 0.79 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 135.5 | 169.3 | -67.5 | -58.2 | 133.5 | 0 | 0 | 110.3 | ||
| 183 | P | 96.7 | Very high | 97.8 | Very high | 58 Ų | 58 | 75.1 Ų | 75.1 | 38% | 0.377 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 145.4 | 174.3 | 28.9 | -33.3 | 0 | 0 | 0 | 110.2 | I64 A67 | I64-P183 HydrophobicContact CG1-CB 4.48Å; A67-P183 HydrophobicContact CB-CB 3.83Å |
| 184 | A | 96.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 79.1 Ų | 79.1 | 44% | 0.438 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 164.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q63 | Q63-A184 PolarHBondContact OE1-O 3.48Š|
| 185 | P | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 75.1 Ų | 75.1 | 77% | 0.766 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -55 | 148.6 | 173.6 | -23.7 | 33.7 | 0 | 0 | 0 | 112 | Q63 I187 | Q63-P185 PolarHBondContact NE2-O 3.43Å; Q63-P185 PolarHBondContact OE1-O 2.98Å; P185-I187 PolarHBondContact O-N 3.09Å |
| 186 | S | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 73.1 Ų | 73.1 | 66% | 0.664 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 136.6 | 179.8 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 187 | I | 98.5 | Very high | 97.9 | Very high | 10 Ų | 10 | 76 Ų | 76 | 5% | 0.051 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 144.5 | 177.4 | -62 | 158.5 | 0 | 0 | 0 | 109 | L59 N60 L73 F75 P185 L189 | L59-I187 HydrophobicContact CD2-CB 4.29Å; L59-I187 HydrophobicContact CD2-CD1 3.96Å; L59-I187 HydrophobicContact CD2-CG2 3.82Å; L59-I187 HydrophobicContact CG-CD1 3.96Å; N60-I187 PolarHBondContact ND2-O 2.88Å; N60-I187 PolarHBondContact OD1-N 3.23Å; N60-I187 PolarHBondContact OD1-O 3.08Å; L73-I187 HydrophobicContact CD2-CD1 4.09Å; F75-I187 HydrophobicContact CB-CD1 3.81Å; F75-I187 HydrophobicContact CB-CG1 4.15Å; F75-I187 HydrophobicContact CD1-CG1 4.43Å; F75-I187 HydrophobicContact CD1-CG2 4.02Å; F75-I187 HydrophobicContact CD2-CD1 3.87Å; F75-I187 HydrophobicContact CD2-CG1 4.25Å; F75-I187 HydrophobicContact CD2-CG2 3.66Å; F75-I187 HydrophobicContact CE1-CG2 3.83Å; F75-I187 HydrophobicContact CE2-CG2 3.46Å; F75-I187 VanDerWaalsContact CE2-CG2 3.46Å; F75-I187 HydrophobicContact CG-CD1 3.92Å; F75-I187 HydrophobicContact CG-CG1 4.02Å; F75-I187 HydrophobicContact CG-CG2 3.94Å; F75-I187 HydrophobicContact CZ-CG2 3.56Å; P185-I187 PolarHBondContact O-N 3.09Å; I187-L189 HydrophobicContact CG2-CD2 4.37Å |
| 188 | T | 98.6 | Very high | 98 | Very high | 93 Ų | 93 | 74.8 Ų | 74.8 | 57% | 0.571 | 44% | 0.444 | S | S | * | . | trans | -127 | 114.4 | 171.4 | -64.3 | 0 | 0 | 0 | 0 | 108.7 | N190 R193 | T188-N190 PolarHBondContact O-N 3.24Å; T188-R193 VanDerWaalsContact CG2-NH2 3.29Å | ||
| 189 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.005 | 44% | 0.444 | C | S | . | . | trans | -70.1 | 128.2 | 176.6 | -62.4 | -176.8 | 0 | 0 | 0 | 110.9 | Y35 A37 W42 I55 N56 L59 F75 I187 Y191 R193 | Y35-L189 HydrophobicContact CE1-CD2 4.3Å; A37-L189 HydrophobicContact CB-CD2 3.78Å; W42-L189 HydrophobicContact CH2-CD1 3.86Å; W42-L189 HydrophobicContact CH2-CD2 4Å; W42-L189 HydrophobicContact CH2-CG 4.44Å; W42-L189 HydrophobicContact CZ3-CB 4.42Å; W42-L189 HydrophobicContact CZ3-CD1 3.96Å; W42-L189 HydrophobicContact CZ3-CD2 4.39Å; W42-L189 HydrophobicContact CZ3-CG 4.49Å; I55-L189 HydrophobicContact CB-CD1 4.45Å; I55-L189 HydrophobicContact CG2-CD1 3.9Å; N56-L189 HydrophobicContact CB-CD1 3.9Å; N56-L189 HydrophobicContact CB-CG 4.06Å; N56-L189 WeakPolarHBondContact OD1-CG 3.43Å; N56-L189 PolarHBondContact OD1-N 3.28Å; L59-L189 HydrophobicContact CD2-CD2 4.09Å; F75-L189 HydrophobicContact CE2-CD2 3.9Å; F75-L189 HydrophobicContact CZ-CD2 4.04Å; I187-L189 HydrophobicContact CG2-CD2 4.37Å; L189-Y191 PolarHBondContact O-N 3.48Å; L189-R193 PolarHBondContact O-NE 3.24Å | ||
| 190 | N | 98.6 | Very high | 98.3 | Very high | 115 Ų | 115 | 75.9 Ų | 75.9 | 62% | 0.615 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -81.7 | 66.9 | 175.4 | -174.1 | 24.5 | 0 | 0 | 0 | 111.6 | P39 E77 T188 | P39-N190 VanDerWaalsContact CB-O 3.28Å; P39-N190 WeakPolarHBondContact CB-O 3.21Å; P39-N190 WeakPolarHBondContact CG-O 3.41Å; E77-N190 VanDerWaalsContact OE1-CB 3.22Å; E77-N190 WeakPolarHBondContact OE1-CB 3.46Å; E77-N190 PolarHBondContact OE1-ND2 3.32Å; E77-N190 VanDerWaalsContact OE2-CB 3.31Å; E77-N190 WeakPolarHBondContact OE2-CB 3.31Å; E77-N190 PolarHBondContact OE2-N 3.35Å; T188-N190 PolarHBondContact O-N 3.24Å |
| 191 | Y | 98.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 72.4 Ų | 72.4 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -144.7 | 151.3 | 177.3 | -171.2 | -97.1 | 0 | 0 | 0 | 109.2 | P39 W42 A43 M47 A52 L189 R193 | P39-Y191 HydrophobicContact CB-CD2 4.13Å; W42-Y191 HydrophobicContact CB-CD2 4.28Å; W42-Y191 HydrophobicContact CB-CE2 3.92Å; W42-Y191 HydrophobicContact CE3-CD2 4.19Å; W42-Y191 HydrophobicContact CE3-CG 4.14Å; A43-Y191 HydrophobicContact CB-CE2 4.06Å; M47-Y191 HydrophobicContact CB-CE1 4.4Å; M47-Y191 PolarHBondContact O-OH 2.88Å; A52-Y191 HydrophobicContact CB-CD1 3.41Å; A52-Y191 VanDerWaalsContact CB-CD1 3.41Å; A52-Y191 HydrophobicContact CB-CE1 3.9Å; A52-Y191 HydrophobicContact CB-CG 4.41Å; L189-Y191 PolarHBondContact O-N 3.48Å; Y191-R193 WeakPolarHBondContact O-CG 3.47Å; Y191-R193 PolarHBondContact O-N 2.73Å |
| 192 | P | 98.7 | Very high | 98.3 | Very high | 90 Ų | 90 | 69.8 Ų | 69.8 | 58% | 0.584 | 41% | 0.407 | S | S | * | . | trans | -56.6 | 126.1 | 174 | -25.3 | 35.2 | 0 | 0 | 0 | 111.3 | P49 | P49-P192 VanDerWaalsContact CA-O 3.29Å; P49-P192 WeakPolarHBondContact CA-O 3.39Å; P49-P192 WeakPolarHBondContact CB-O 3.2Å | ||
| 193 | R | 98.7 | Very high | 98.3 | Very high | 87 Ų | 87 | 63.8 Ų | 63.8 | 33% | 0.328 | 38% | 0.382 | S | S | . | . | trans | -127.9 | 146 | -175.9 | -75.2 | 173.9 | -59.3 | 124.3 | -3.4 | 110.9 | P49 A52 E53 N56 T188 L189 Y191 | P49-R193 WeakPolarHBondContact O-CA 3.39Å; A52-R193 HydrophobicContact CB-CG 3.92Å; E53-R193 HydrophobicContact CB-CB 4.07Å; E53-R193 HydrophobicContact CB-CG 4.26Å; E53-R193 WeakPolarHBondContact OE2-CB 3.33Å; E53-R193 VanDerWaalsContact OE2-CD 3.28Å; E53-R193 WeakPolarHBondContact OE2-CD 3.4Å; E53-R193 IonicContact OE2-CZ 3.83Å; E53-R193 IonicContact OE2-NE 2.7Å; E53-R193 IonicContact OE2-NH1 2.78Å; E53-R193 PolarHBondContact OE2-NH1 3.23Å; N56-R193 PolarHBondContact ND2-NH1 3.21Å; T188-R193 VanDerWaalsContact CG2-NH2 3.29Å; L189-R193 PolarHBondContact O-NE 3.24Å; Y191-R193 WeakPolarHBondContact O-CG 3.47Å; Y191-R193 PolarHBondContact O-N 2.73Å | ||
| 194 | Q | 98.7 | Very high | 98.4 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 44% | 0.439 | 39% | 0.394 | S | S | . | . | trans | -137.6 | 146.1 | 177.1 | -70.1 | -177 | 11.2 | 0 | 0 | 110.2 | P49 R50 E53 | P49-Q194 HydrophobicContact CB-CB 4.06Å; P49-Q194 HydrophobicContact CB-CG 3.83Å; P49-Q194 PolarHBondContact O-N 3.15Å; P49-Q194 VanDerWaalsContact O-N 3.13Å; R50-Q194 HydrophobicContact CG-CB 3.95Å; E53-Q194 VanDerWaalsContact CB-O 3.29Å; E53-Q194 WeakPolarHBondContact CB-O 3.25Å | ||
| 195 | S | 98.7 | Very high | 98.5 | Very high | 102 Ų | 102 | 66.5 Ų | 66.5 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | trans | -71.2 | 162.6 | 178 | 58 | 0 | 0 | 0 | 0 | 112.5 | R50 | R50-S195 PolarHBondContact NE-O 3.24Š| ||
| 196 | F | 98.8 | Very high | 98.5 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | trans | -148.5 | 173.4 | 176.8 | 54.5 | -93.2 | 0 | 0 | 0 | 109.2 | R50 E53 L54 T198 F201 V203 I372 | R50-F196 HydrophobicContact CB-CD1 4.23Å; R50-F196 WeakPolarHBondContact O-CE1 3.3Å; E53-F196 HydrophobicContact CB-CD1 4.47Å; E53-F196 HydrophobicContact CB-CE1 4Å; E53-F196 HydrophobicContact CG-CD1 4.47Å; E53-F196 HydrophobicContact CG-CE1 3.92Å; L54-F196 HydrophobicContact CB-CE1 3.88Å; L54-F196 HydrophobicContact CB-CZ 3.8Å; L54-F196 HydrophobicContact CD1-CE2 4.35Å; L54-F196 HydrophobicContact CD1-CZ 3.88Å; L54-F196 HydrophobicContact CG-CZ 4.43Å; F196-T198 HydrophobicContact CD2-CG2 4.48Å; F196-T198 HydrophobicContact CE2-CG2 4.07Å; F196-T198 PolarHBondContact O-N 2.83Å; F196-F201 HydrophobicContact CD2-CB 3.88Å; F196-F201 HydrophobicContact CD2-CD2 4.28Å; F196-F201 HydrophobicContact CE2-CB 3.97Å; F196-F201 WeakPolarHBondContact CE2-O 3.16Å; F196-V203 HydrophobicContact CE2-CG1 3.9Å; F196-V203 HydrophobicContact CZ-CG1 3.69Å; F196-I372 HydrophobicContact CB-CD1 4.02Å; F196-I372 HydrophobicContact CD1-CD1 3.75Å; F196-I372 HydrophobicContact CD2-CD1 3.67Å; F196-I372 HydrophobicContact CE1-CD1 4.11Å; F196-I372 HydrophobicContact CE2-CD1 4.04Å; F196-I372 HydrophobicContact CG-CD1 3.52Å; F196-I372 HydrophobicContact CZ-CD1 4.25Å | ||
| 197 | D | 98.5 | Very high | 98.5 | Very high | 78 Ų | 78 | 66 Ų | 66 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | trans | -79.5 | 107.4 | 179.2 | -174 | -11.5 | 0 | 0 | 0 | 111.1 | A199 H200 F201 | D197-A199 VanDerWaalsContact C-N 3.26Å; D197-A199 PolarHBondContact O-N 2.97Å; D197-A199 WeakPolarHBondContact OD1-CB 3.28Å; D197-A199 PolarHBondContact OD1-N 3.21Å; D197-H200 HydrophobicContact CB-CB 4.35Å; D197-H200 PolarHBondContact O-N 2.79Å; D197-H200 IonicContact OD2-CE1 2.81Å; D197-H200 PolarHBondContact OD2-CE1 3.19Å; D197-H200 VanDerWaalsContact OD2-CE1 3.31Å; D197-H200 IonicContact OD2-CG 3.62Å; D197-H200 IonicContact OD2-ND1 2.71Å; D197-H200 PolarHBondContact OD2-ND1 3.21Å; D197-F201 PolarHBondContact O-N 3.09Å | ||
| 198 | T | 98.4 | Very high | 98.5 | Very high | 85 Ų | 85 | 65.6 Ų | 65.6 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.3 | -178.8 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | F196 F201 P202 V203 | F196-T198 HydrophobicContact CD2-CG2 4.48Å; F196-T198 HydrophobicContact CE2-CG2 4.07Å; F196-T198 PolarHBondContact O-N 2.83Å; T198-F201 WeakPolarHBondContact CA-O 3.33Å; T198-F201 CarbonylContact O-C 3.51Å; T198-P202 WeakPolarHBondContact O-CA 3.13Å; T198-V203 HydrophobicContact CG2-CG1 4.19Å |
| 199 | A | 98 | Very high | 98.5 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -36.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D197 Q211 | D197-A199 VanDerWaalsContact C-N 3.26Å; D197-A199 PolarHBondContact O-N 2.97Å; D197-A199 WeakPolarHBondContact OD1-CB 3.28Å; D197-A199 PolarHBondContact OD1-N 3.21Å; A199-Q211 PolarHBondContact O-NE2 2.93Å |
| 200 | H | 98.4 | Very high | 98.5 | Very high | 65 Ų | 65 | 65.8 Ų | 65.8 | 30% | 0.301 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -38 | 175.2 | -72.5 | 132.9 | 0 | 0 | 0 | 112.6 | D197 P202 Q211 R237 | D197-H200 HydrophobicContact CB-CB 4.35Å; D197-H200 PolarHBondContact O-N 2.79Å; D197-H200 IonicContact OD2-CE1 2.81Å; D197-H200 PolarHBondContact OD2-CE1 3.19Å; D197-H200 VanDerWaalsContact OD2-CE1 3.31Å; D197-H200 IonicContact OD2-CG 3.62Å; D197-H200 IonicContact OD2-ND1 2.71Å; D197-H200 PolarHBondContact OD2-ND1 3.21Å; H200-P202 WeakPolarHBondContact O-CD 3.37Å; H200-Q211 PolarHBondContact O-NE2 3.38Å; H200-R237 VanDerWaalsContact CD2-CD 3.48Å; H200-R237 WeakPolarHBondContact CD2-CD 3.31Å |
| 201 | F | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -122.7 | 85.5 | -177.6 | -53.1 | -67.1 | 0 | 0 | 0 | 110.3 | F196 D197 T198 V203 R237 A240 W339 I372 | F196-F201 HydrophobicContact CD2-CB 3.88Å; F196-F201 HydrophobicContact CD2-CD2 4.28Å; F196-F201 HydrophobicContact CE2-CB 3.97Å; F196-F201 WeakPolarHBondContact CE2-O 3.16Å; D197-F201 PolarHBondContact O-N 3.09Å; T198-F201 WeakPolarHBondContact CA-O 3.33Å; T198-F201 CarbonylContact O-C 3.51Å; F201-V203 PolarHBondContact O-N 3.24Å; F201-R237 HydrophobicContact CE1-CB 4.26Å; F201-A240 HydrophobicContact CD1-CB 3.77Å; F201-A240 HydrophobicContact CE1-CB 4.44Å; F201-A240 HydrophobicContact CG-CB 4.42Å; F201-W339 HydrophobicContact CE1-CB 4.37Å; F201-W339 AromaticContact CE1-CD1 3.79Å; F201-W339 HydrophobicContact CE1-CG 4.11Å; F201-W339 HydrophobicContact CE2-CB 4.1Å; F201-W339 HydrophobicContact CZ-CB 3.46Å; F201-W339 VanDerWaalsContact CZ-CB 3.46Å; F201-W339 AromaticContact CZ-CD1 3.7Å; F201-W339 HydrophobicContact CZ-CD2 4.27Å; F201-W339 AromaticContact CZ-CG 3.54Å; F201-W339 HydrophobicContact CZ-CG 3.54Å; F201-I372 HydrophobicContact CB-CD1 3.95Å; F201-I372 HydrophobicContact CD1-CG2 4.34Å; F201-I372 HydrophobicContact CD2-CD1 3.95Å; F201-I372 HydrophobicContact CD2-CG2 4.47Å; F201-I372 HydrophobicContact CE1-CG2 4.15Å; F201-I372 HydrophobicContact CE2-CG2 4.28Å; F201-I372 HydrophobicContact CG-CD1 3.89Å; F201-I372 HydrophobicContact CG-CG2 4.5Å; F201-I372 HydrophobicContact CZ-CG2 4.13Å |
| 202 | P | 98.2 | Very high | 98.6 | Very high | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | trans | -64.5 | 132.2 | -175.9 | 24 | -32.9 | 0 | 0 | 0 | 111.9 | T198 H200 A207 A208 Q211 | T198-P202 WeakPolarHBondContact O-CA 3.13Å; H200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-A207 HydrophobicContact CB-CB 3.6Å; P202-A208 HydrophobicContact CG-CB 3.98Å; P202-Q211 HydrophobicContact CG-CB 4.43Å | ||
| 203 | V | 98.2 | Very high | 98.6 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | trans | -86.9 | -29.2 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | L54 A57 F196 T198 F201 | L54-V203 HydrophobicContact CD1-CG1 3.94Å; A57-V203 HydrophobicContact CB-CB 3.85Å; A57-V203 HydrophobicContact CB-CG1 3.79Å; A57-V203 HydrophobicContact CB-CG2 4.47Å; F196-V203 HydrophobicContact CE2-CG1 3.9Å; F196-V203 HydrophobicContact CZ-CG1 3.69Å; T198-V203 HydrophobicContact CG2-CG1 4.19Å; F201-V203 PolarHBondContact O-N 3.24Å | ||
| 204 | E | 98.2 | Very high | 98.6 | Very high | 132 Ų | 132 | 63.7 Ų | 63.7 | 62% | 0.617 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -82.7 | 135 | 177.8 | -63.9 | -176.4 | 177 | 0 | 0 | 111.1 | K206 A207 A208 | E204-K206 VanDerWaalsContact C-N 3.29Å; E204-K206 PolarHBondContact O-N 3.41Å; E204-A207 HydrophobicContact CB-CB 4.06Å; E204-A207 WeakPolarHBondContact O-CB 3.4Å; E204-A207 PolarHBondContact O-N 3.2Å; E204-A208 PolarHBondContact O-N 2.96Å |
| 205 | E | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 60 Ų | 60 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.2 | -42.2 | 179.2 | -172.6 | -178.2 | -168.2 | 0 | 0 | 112.2 | R13 L14 H15 A207 A208 I209 | R13-E205 HydrophobicContact CB-CG 4.31Å; R13-E205 WeakPolarHBondContact CB-OE1 3.37Å; L14-E205 PolarHBondContact N-OE1 2.97Å; L14-E205 VanDerWaalsContact N-OE1 3.07Å; L14-E205 PolarHBondContact N-OE2 2.81Å; H15-E205 VanDerWaalsContact CB-OE1 3.26Å; H15-E205 WeakPolarHBondContact CB-OE1 3.49Å; H15-E205 IonicContact CE1-OE2 3.7Å; H15-E205 IonicContact CG-OE1 2.8Å; H15-E205 PolarHBondContact N-OE1 2.94Å; H15-E205 IonicContact ND1-OE1 3.67Å; H15-E205 PolarHBondContact ND1-OE1 2.83Å; H15-E205 IonicContact ND1-OE2 3.95Å; H15-E205 PolarHBondContact ND1-OE2 2.94Å; E205-A207 VanDerWaalsContact C-N 3.32Å; E205-A207 PolarHBondContact O-N 2.95Å; E205-A208 PolarHBondContact O-N 2.79Å; E205-I209 HydrophobicContact CG-CD1 4.1Å; E205-I209 VanDerWaalsContact O-CG1 3.3Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 3.17Å |
| 206 | K | 98.3 | Very high | 98.6 | Very high | 164 Ų | 164 | 55.2 Ų | 55.2 | 71% | 0.713 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 176.8 | -70.7 | 179.1 | -176.4 | 165.8 | 0 | 112.1 | E204 I209 A210 | E204-K206 VanDerWaalsContact C-N 3.29Å; E204-K206 PolarHBondContact O-N 3.41Å; K206-I209 PolarHBondContact O-N 3.41Å; K206-A210 WeakPolarHBondContact O-CB 3.45Å; K206-A210 PolarHBondContact O-N 3.33Å |
| 207 | A | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | P202 E204 E205 A210 Q211 | P202-A207 HydrophobicContact CB-CB 3.6Å; E204-A207 HydrophobicContact CB-CB 4.06Å; E204-A207 WeakPolarHBondContact O-CB 3.4Å; E204-A207 PolarHBondContact O-N 3.2Å; E205-A207 VanDerWaalsContact C-N 3.32Å; E205-A207 PolarHBondContact O-N 2.95Å; A207-A210 PolarHBondContact O-N 3.22Å; A207-Q211 WeakPolarHBondContact O-CB 3.29Å; A207-Q211 PolarHBondContact O-N 3.49Å |
| 208 | A | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P202 E204 E205 A210 Q211 L212 L247 | P202-A208 HydrophobicContact CG-CB 3.98Å; E204-A208 PolarHBondContact O-N 2.96Å; E205-A208 PolarHBondContact O-N 2.79Å; A208-A210 VanDerWaalsContact C-N 3.34Å; A208-A210 PolarHBondContact O-N 3.22Å; A208-Q211 PolarHBondContact O-N 2.88Å; A208-L212 WeakPolarHBondContact O-CB 3.29Å; A208-L212 PolarHBondContact O-N 2.89Å; A208-L247 HydrophobicContact CB-CD1 4.09Å; A208-L247 HydrophobicContact CB-CD2 4.43Å; A208-L247 HydrophobicContact CB-CG 3.99Å |
| 209 | I | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -40 | 174.4 | -67.2 | 167.7 | 0 | 0 | 0 | 111.4 | H15 E205 K206 L212 R213 L247 | H15-I209 HydrophobicContact CB-CD1 4.49Å; E205-I209 HydrophobicContact CG-CD1 4.1Å; E205-I209 VanDerWaalsContact O-CG1 3.3Å; E205-I209 WeakPolarHBondContact O-CG1 3.48Å; E205-I209 PolarHBondContact O-N 3.17Å; K206-I209 PolarHBondContact O-N 3.41Å; I209-L212 PolarHBondContact O-N 3.36Å; I209-R213 WeakPolarHBondContact O-CB 3.33Å; I209-R213 PolarHBondContact O-N 3.43Å; I209-L247 HydrophobicContact CG1-CD2 3.85Å |
| 210 | A | 98.8 | Very high | 98.5 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K206 A207 A208 L212 R213 Q214 | K206-A210 WeakPolarHBondContact O-CB 3.45Å; K206-A210 PolarHBondContact O-N 3.33Å; A207-A210 PolarHBondContact O-N 3.22Å; A208-A210 VanDerWaalsContact C-N 3.34Å; A208-A210 PolarHBondContact O-N 3.22Å; A210-L212 PolarHBondContact O-N 2.84Å; A210-R213 PolarHBondContact O-N 3.26Å; A210-Q214 PolarHBondContact O-N 3.29Å |
| 211 | Q | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 50.7 Ų | 50.7 | 15% | 0.15 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.6 | -170 | 178.6 | 70.1 | 0 | 0 | 111.1 | A199 H200 P202 A207 A208 R213 Q214 F215 L238 | A199-Q211 PolarHBondContact O-NE2 2.93Å; H200-Q211 PolarHBondContact O-NE2 3.38Å; P202-Q211 HydrophobicContact CG-CB 4.43Å; A207-Q211 WeakPolarHBondContact O-CB 3.29Å; A207-Q211 PolarHBondContact O-N 3.49Å; A208-Q211 PolarHBondContact O-N 2.88Å; Q211-R213 PolarHBondContact O-N 2.77Å; Q211-Q214 PolarHBondContact O-N 2.94Å; Q211-F215 WeakPolarHBondContact O-CB 3.35Å; Q211-F215 PolarHBondContact O-N 3.32Å; Q211-L238 HydrophobicContact CB-CD2 4.12Å; Q211-L238 HydrophobicContact CG-CD2 4.05Å; Q211-L238 VanDerWaalsContact OE1-CD2 3.31Å |
| 212 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 172.8 | 170 | 61.7 | 0 | 0 | 0 | 112.1 | A208 I209 A210 F215 C216 L238 L247 Q251 C252 R255 W272 | A208-L212 WeakPolarHBondContact O-CB 3.29Å; A208-L212 PolarHBondContact O-N 2.89Å; I209-L212 PolarHBondContact O-N 3.36Å; A210-L212 PolarHBondContact O-N 2.84Å; L212-F215 PolarHBondContact O-N 3.22Å; L212-C216 PolarHBondContact O-N 3.23Å; L212-C216 PolarHBondContact O-SG 3.35Å; L212-C216 VanDerWaalsContact O-SG 3.41Å; L212-L238 HydrophobicContact CB-CD1 3.84Å; L212-L238 HydrophobicContact CB-CD2 4.24Å; L212-L238 HydrophobicContact CD1-CD1 3.59Å; L212-L238 HydrophobicContact CG-CD1 4.28Å; L212-L247 HydrophobicContact CB-CD1 4.2Å; L212-L247 HydrophobicContact CD2-CD1 4.41Å; L212-L247 HydrophobicContact CD2-CD2 4.31Å; L212-Q251 HydrophobicContact CD2-CB 4.17Å; L212-C252 HydrophobicContact CD1-CB 4.3Å; L212-R255 HydrophobicContact CD1-CB 4.33Å; L212-R255 HydrophobicContact CD1-CG 4.31Å; L212-R255 HydrophobicContact CD2-CB 4.02Å; L212-R255 HydrophobicContact CD2-CG 4.37Å; L212-R255 HydrophobicContact CG-CB 4.02Å; L212-R255 HydrophobicContact CG-CG 3.89Å; L212-W272 HydrophobicContact CD1-CH2 3.83Å |
| 213 | R | 98.8 | Very high | 98.5 | Very high | 116 Ų | 116 | 55.8 Ų | 55.8 | 44% | 0.438 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 178.1 | -177.4 | 178.1 | -73.1 | 177.2 | -3 | 111.5 | I209 A210 Q211 F215 C216 Q217 | I209-R213 WeakPolarHBondContact O-CB 3.33Å; I209-R213 PolarHBondContact O-N 3.43Å; A210-R213 PolarHBondContact O-N 3.26Å; Q211-R213 PolarHBondContact O-N 2.77Å; R213-F215 VanDerWaalsContact C-N 3.32Å; R213-F215 PolarHBondContact O-N 2.85Å; R213-C216 PolarHBondContact O-N 3.12Å; R213-Q217 WeakPolarHBondContact O-CG 3.34Å; R213-Q217 PolarHBondContact O-N 2.92Å |
| 214 | Q | 98.7 | Very high | 98.5 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 60% | 0.603 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 179.8 | -172.8 | -178.9 | 29 | 0 | 0 | 111.7 | A210 Q211 Q217 N218 | A210-Q214 PolarHBondContact O-N 3.29Å; Q211-Q214 PolarHBondContact O-N 2.94Å; Q214-Q217 PolarHBondContact O-N 3.34Å; Q214-N218 PolarHBondContact O-N 2.75Å; Q214-N218 VanDerWaalsContact O-N 3.16Å; Q214-N218 PolarHBondContact O-ND2 3.1Å |
| 215 | F | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 177.2 | 178 | -96 | 0 | 0 | 0 | 111.7 | Q211 L212 R213 Q217 N218 G219 A220 Y223 S236 W272 | Q211-F215 WeakPolarHBondContact O-CB 3.35Å; Q211-F215 PolarHBondContact O-N 3.32Å; L212-F215 PolarHBondContact O-N 3.22Å; R213-F215 VanDerWaalsContact C-N 3.32Å; R213-F215 PolarHBondContact O-N 2.85Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3.34Å; F215-N218 CarbonylContact O-C 3.47Å; F215-N218 PolarHBondContact O-N 2.86Å; F215-G219 CarbonylContact O-C 3.54Å; F215-G219 WeakPolarHBondContact O-CA 3.26Å; F215-G219 PolarHBondContact O-N 3.42Å; F215-A220 HydrophobicContact CD1-CB 4.38Å; F215-A220 HydrophobicContact CE1-CB 3.94Å; F215-A220 HydrophobicContact CZ-CB 4.46Å; F215-A220 PolarHBondContact O-N 3.24Å; F215-Y223 HydrophobicContact CE2-CD2 4.14Å; F215-Y223 AromaticContact CZ-CD2 3.64Å; F215-Y223 HydrophobicContact CZ-CD2 3.64Å; F215-Y223 HydrophobicContact CZ-CE2 4.12Å; F215-Y223 HydrophobicContact CZ-CG 4.34Å; F215-S236 VanDerWaalsContact CD2-CA 3.44Å; F215-W272 HydrophobicContact CD1-CD2 4.37Å; F215-W272 AromaticContact CD1-CE2 3.95Å; F215-W272 HydrophobicContact CD1-CH2 4.47Å; F215-W272 HydrophobicContact CD1-CZ2 4.01Å; F215-W272 AromaticContact CE1-CD1 3.52Å; F215-W272 AromaticContact CE1-CD2 3.53Å; F215-W272 HydrophobicContact CE1-CD2 3.53Å; F215-W272 AromaticContact CE1-CE2 3.31Å; F215-W272 HydrophobicContact CE1-CE3 4.25Å; F215-W272 AromaticContact CE1-CG 3.64Å; F215-W272 HydrophobicContact CE1-CG 3.64Å; F215-W272 AromaticContact CE1-CZ2 3.86Å; F215-W272 HydrophobicContact CE1-CZ2 3.86Å; F215-W272 AromaticContact CE1-NE1 3.32Å; F215-W272 VanDerWaalsContact CE1-NE1 3.32Å; F215-W272 AromaticContact CZ-CD1 3.58Å; F215-W272 HydrophobicContact CZ-CD2 4.35Å; F215-W272 HydrophobicContact CZ-CG 4.02Å; F215-W272 AromaticContact CZ-NE1 3.65Å |
| 216 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -32 | 179.6 | -69 | 0 | 0 | 0 | 0 | 113.5 | L212 R213 R255 E259 Q260 | L212-C216 PolarHBondContact O-N 3.23Å; L212-C216 PolarHBondContact O-SG 3.35Å; L212-C216 VanDerWaalsContact O-SG 3.41Å; R213-C216 PolarHBondContact O-N 3.12Å; C216-R255 HydrophobicContact CB-CG 3.83Å; C216-E259 HydrophobicContact CB-CB 4.11Å; C216-E259 HydrophobicContact CB-CG 3.79Å; C216-E259 WeakPolarHBondContact O-CB 3.26Å; C216-Q260 PolarHBondContact O-NE2 2.62Å |
| 217 | Q | 98.5 | Very high | 98.5 | Very high | 96 Ų | 96 | 54.5 Ų | 54.5 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.2 | -33.9 | 176.9 | -75.8 | 178.3 | -7.1 | 0 | 0 | 113.3 | R213 Q214 F215 E259 | R213-Q217 WeakPolarHBondContact O-CG 3.34Å; R213-Q217 PolarHBondContact O-N 2.92Å; Q214-Q217 PolarHBondContact O-N 3.34Å; F215-Q217 VanDerWaalsContact C-N 3.31Å; F215-Q217 PolarHBondContact O-N 3.34Å; Q217-E259 VanDerWaalsContact CG-CD 3.41Å; Q217-E259 HydrophobicContact CG-CG 3.86Å; Q217-E259 WeakPolarHBondContact CG-OE2 3.31Å; Q217-E259 PolarHBondContact NE2-OE1 3.05Å |
| 218 | N | 97.5 | Very high | 98.5 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -76 | -173 | -50.3 | -74.2 | 0 | 0 | 0 | 110.6 | Q214 F215 A220 G221 | Q214-N218 PolarHBondContact O-N 2.75Å; Q214-N218 VanDerWaalsContact O-N 3.16Å; Q214-N218 PolarHBondContact O-ND2 3.1Å; F215-N218 CarbonylContact O-C 3.47Å; F215-N218 PolarHBondContact O-N 2.86Å; N218-A220 VanDerWaalsContact C-N 3.29Å; N218-A220 PolarHBondContact O-N 3.02Å; N218-A220 VanDerWaalsContact O-N 3.13Å; N218-G221 PolarHBondContact O-N 3.05Å; N218-G221 VanDerWaalsContact O-N 3.14Å |
| 219 | G | 98 | Very high | 98.5 | Very high | 16 Ų | 16 | 58.6 Ų | 58.6 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -29 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F215 G221 E222 Y223 | F215-G219 CarbonylContact O-C 3.54Å; F215-G219 WeakPolarHBondContact O-CA 3.26Å; F215-G219 PolarHBondContact O-N 3.42Å; G219-G221 VanDerWaalsContact C-N 3.28Å; G219-G221 PolarHBondContact O-N 3.09Å; G219-E222 PolarHBondContact O-N 2.89Å; G219-Y223 WeakPolarHBondContact O-CA 3.22Å; G219-Y223 WeakPolarHBondContact O-CB 3.03Å; G219-Y223 PolarHBondContact O-N 3.05Å |
| 220 | A | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.7 | -29 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F215 N218 L256 Q260 G269 | F215-A220 HydrophobicContact CD1-CB 4.38Å; F215-A220 HydrophobicContact CE1-CB 3.94Å; F215-A220 HydrophobicContact CZ-CB 4.46Å; F215-A220 PolarHBondContact O-N 3.24Å; N218-A220 VanDerWaalsContact C-N 3.29Å; N218-A220 PolarHBondContact O-N 3.02Å; N218-A220 VanDerWaalsContact O-N 3.13Å; A220-L256 HydrophobicContact CB-CD1 3.9Å; A220-Q260 HydrophobicContact CB-CG 4.1Å; A220-G269 WeakPolarHBondContact O-CA 3.39Å; A220-G269 PolarHBondContact O-N 3.2Å |
| 221 | G | 98 | Very high | 98.4 | Very high | 32 Ų | 32 | 55 Ų | 55 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.9 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N218 G219 | N218-G221 PolarHBondContact O-N 3.05Å; N218-G221 VanDerWaalsContact O-N 3.14Å; G219-G221 VanDerWaalsContact C-N 3.28Å; G219-G221 PolarHBondContact O-N 3.09Å |
| 222 | E | 98.1 | Very high | 98.3 | Very high | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -94.3 | 0.8 | -178.2 | -61 | 172.4 | -162.1 | 0 | 0 | 113 | G219 E224 Q225 Q226 | G219-E222 PolarHBondContact O-N 2.89Å; E222-E224 PolarHBondContact O-N 2.96Å; E222-Q225 PolarHBondContact O-N 3.22Å; E222-Q225 VanDerWaalsContact O-N 3.12Å; E222-Q225 PolarHBondContact O-OE1 3.12Å; E222-Q225 VanDerWaalsContact O-OE1 3.08Å; E222-Q226 HydrophobicContact CB-CG 4.38Å; E222-Q226 PolarHBondContact O-N 3.23Å; E222-Q226 PolarHBondContact OE2-NE2 3.46Å |
| 223 | Y | 98.7 | Very high | 98.3 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | -167.3 | -173.2 | -108.6 | 0 | 0 | 0 | 112.6 | F215 G219 Q225 Q226 R227 G234 T235 V271 W272 E275 | F215-Y223 HydrophobicContact CE2-CD2 4.14Å; F215-Y223 AromaticContact CZ-CD2 3.64Å; F215-Y223 HydrophobicContact CZ-CD2 3.64Å; F215-Y223 HydrophobicContact CZ-CE2 4.12Å; F215-Y223 HydrophobicContact CZ-CG 4.34Å; G219-Y223 WeakPolarHBondContact O-CA 3.22Å; G219-Y223 WeakPolarHBondContact O-CB 3.03Å; G219-Y223 PolarHBondContact O-N 3.05Å; Y223-Q225 PolarHBondContact O-N 2.81Å; Y223-Q226 PolarHBondContact O-N 3.38Å; Y223-R227 HydrophobicContact CD1-CB 4.32Å; Y223-R227 HydrophobicContact CD2-CB 4.07Å; Y223-R227 HydrophobicContact CE1-CB 4.03Å; Y223-R227 HydrophobicContact CE1-CG 4.42Å; Y223-R227 HydrophobicContact CE2-CB 3.74Å; Y223-R227 HydrophobicContact CG-CB 4.33Å; Y223-R227 WeakPolarHBondContact O-CB 3.46Å; Y223-R227 WeakPolarHBondContact O-CG 3.28Å; Y223-R227 PolarHBondContact O-N 3.4Å; Y223-G234 WeakPolarHBondContact CD2-O 3.3Å; Y223-G234 WeakPolarHBondContact CE2-O 3.42Å; Y223-T235 HydrophobicContact CE2-CG2 4.08Å; Y223-V271 HydrophobicContact CD1-CB 4.28Å; Y223-V271 HydrophobicContact CD1-CG1 3.93Å; Y223-V271 HydrophobicContact CE1-CG1 4.21Å; Y223-W272 HydrophobicContact CD1-CB 3.69Å; Y223-W272 HydrophobicContact CD1-CG 4.35Å; Y223-W272 HydrophobicContact CE1-CB 4.04Å; Y223-W272 AromaticContact CE1-CD1 3.84Å; Y223-W272 HydrophobicContact CE1-CG 4.38Å; Y223-W272 AromaticContact CE2-CD1 3.75Å; Y223-W272 HydrophobicContact CG-CB 4.04Å; Y223-W272 HydrophobicContact CG-CG 4.5Å; Y223-W272 AromaticContact CZ-CD1 3.67Å; Y223-E275 HydrophobicContact CE1-CG 3.97Å |
| 224 | E | 98.2 | Very high | 98.2 | Very high | 120 Ų | 120 | 55.2 Ų | 55.2 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.7 | -38.8 | -179.8 | -176.9 | 172.2 | -140.9 | 0 | 0 | 111.9 | E222 V271 | E222-E224 PolarHBondContact O-N 2.96Å; E224-V271 HydrophobicContact CB-CB 4.2Å; E224-V271 HydrophobicContact CB-CG1 4.32Å; E224-V271 HydrophobicContact CB-CG2 3.89Å; E224-V271 HydrophobicContact CG-CG2 3.97Å |
| 225 | Q | 98.1 | Very high | 98.2 | Very high | 111 Ų | 111 | 50.1 Ų | 50.1 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -81 | -29.4 | -176.4 | -59.6 | 76.8 | 15.7 | 0 | 0 | 112 | E222 Y223 F229 | E222-Q225 PolarHBondContact O-N 3.22Å; E222-Q225 VanDerWaalsContact O-N 3.12Å; E222-Q225 PolarHBondContact O-OE1 3.12Å; E222-Q225 VanDerWaalsContact O-OE1 3.08Å; Y223-Q225 PolarHBondContact O-N 2.81Å; Q225-F229 WeakPolarHBondContact O-CE2 3.23Å |
| 226 | Q | 98.3 | Very high | 98.2 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 25% | 0.252 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -105.5 | -23.8 | -171.7 | -65.9 | -177.2 | 1.4 | 0 | 0 | 115 | E222 Y223 D228 F229 V232 | E222-Q226 HydrophobicContact CB-CG 4.38Å; E222-Q226 PolarHBondContact O-N 3.23Å; E222-Q226 PolarHBondContact OE2-NE2 3.46Å; Y223-Q226 PolarHBondContact O-N 3.38Å; Q226-D228 PolarHBondContact O-N 3.43Å; Q226-F229 PolarHBondContact O-N 3.29Å; Q226-V232 HydrophobicContact CB-CG1 4.31Å; Q226-V232 HydrophobicContact CG-CG1 4.44Å |
| 227 | R | 98.4 | Very high | 98.2 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -12.7 | -171.2 | 69.6 | -179.7 | -150.4 | 157.7 | 11.1 | 116.3 | Y223 T235 E275 H341 | Y223-R227 HydrophobicContact CD1-CB 4.32Å; Y223-R227 HydrophobicContact CD2-CB 4.07Å; Y223-R227 HydrophobicContact CE1-CB 4.03Å; Y223-R227 HydrophobicContact CE1-CG 4.42Å; Y223-R227 HydrophobicContact CE2-CB 3.74Å; Y223-R227 HydrophobicContact CG-CB 4.33Å; Y223-R227 WeakPolarHBondContact O-CB 3.46Å; Y223-R227 WeakPolarHBondContact O-CG 3.28Å; Y223-R227 PolarHBondContact O-N 3.4Å; R227-T235 HydrophobicContact CB-CG2 4.46Å; R227-E275 IonicContact CZ-OE1 2.67Å; R227-E275 IonicContact NH1-OE1 3.67Å; R227-E275 PolarHBondContact NH1-OE1 3.04Å; R227-E275 IonicContact NH2-OE1 3.87Å; R227-H341 PolarHBondContact O-CE1 2.91Å; R227-H341 PolarHBondContact O-NE2 3.32Å |
| 228 | D | 98.5 | Very high | 98.2 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 21% | 0.214 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -13.4 | -175.1 | -87.3 | -29.4 | 0 | 0 | 0 | 113.3 | Q226 P230 R343 F409 | Q226-D228 PolarHBondContact O-N 3.43Å; D228-P230 VanDerWaalsContact O-CD 3.31Å; D228-P230 WeakPolarHBondContact O-CD 3.47Å; D228-R343 IonicContact OD1-CZ 3.13Å; D228-R343 IonicContact OD1-NE 2.68Å; D228-R343 PolarHBondContact OD1-NE 3.47Å; D228-R343 VanDerWaalsContact OD1-NE 3.15Å; D228-R343 IonicContact OD1-NH2 3.64Å; D228-R343 PolarHBondContact OD1-NH2 3.17Å; D228-R343 IonicContact OD2-NH2 2.7Å; D228-F409 HydrophobicContact CB-CD1 3.81Å; D228-F409 HydrophobicContact CB-CE1 3.82Å |
| 229 | F | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 44 Ų | 44 | 37% | 0.373 | 23% | 0.231 | S | C | . | . | trans | -101.9 | 102 | -173 | -59 | -76.4 | 0 | 0 | 0 | 111.4 | Q225 Q226 A231 V232 F409 | Q225-F229 WeakPolarHBondContact O-CE2 3.23Å; Q226-F229 PolarHBondContact O-N 3.29Å; F229-A231 PolarHBondContact O-N 3.29Å; F229-A231 VanDerWaalsContact O-N 3.11Å; F229-V232 HydrophobicContact CB-CB 4.19Å; F229-V232 HydrophobicContact CB-CG2 3.89Å; F229-V232 WeakPolarHBondContact O-CB 3.49Å; F229-V232 PolarHBondContact O-N 2.93Å; F229-F409 WeakPolarHBondContact CD1-O 3.42Å | ||
| 230 | P | 98.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.2 | -175.4 | 27.7 | -37.9 | 0 | 0 | 0 | 115.2 | D228 V232 H341 L344 F409 F415 | D228-P230 VanDerWaalsContact O-CD 3.31Å; D228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-V232 VanDerWaalsContact C-N 3.27Å; P230-H341 HydrophobicContact CB-CB 4.07Å; P230-L344 HydrophobicContact CB-CD1 3.7Å; P230-L344 HydrophobicContact CB-CD2 4.31Å; P230-L344 HydrophobicContact CB-CG 3.94Å; P230-L344 HydrophobicContact CG-CD1 4.29Å; P230-L344 HydrophobicContact CG-CD2 4.04Å; P230-L344 HydrophobicContact CG-CG 4.21Å; P230-F409 WeakPolarHBondContact CD-O 3.39Å; P230-F415 HydrophobicContact CB-CD2 3.86Å; P230-F415 HydrophobicContact CB-CE2 4.21Å; P230-F415 HydrophobicContact CB-CG 4.03Å; P230-F415 HydrophobicContact CG-CB 4.27Å; P230-F415 HydrophobicContact CG-CD1 4.38Å; P230-F415 HydrophobicContact CG-CD2 4.44Å; P230-F415 HydrophobicContact CG-CG 4.11Å; P230-F415 WeakPolarHBondContact O-CD2 3.41Å |
| 231 | A | 97.9 | Very high | 98.4 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F229 E414 F415 | F229-A231 PolarHBondContact O-N 3.29Å; F229-A231 VanDerWaalsContact O-N 3.11Å; A231-E414 HydrophobicContact CB-CB 3.99Å; A231-F415 HydrophobicContact CB-CB 4.09Å |
| 232 | V | 98 | Very high | 98.4 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -101.4 | 137.5 | -176.1 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | Q226 F229 P230 G234 | Q226-V232 HydrophobicContact CB-CG1 4.31Å; Q226-V232 HydrophobicContact CG-CG1 4.44Å; F229-V232 HydrophobicContact CB-CB 4.19Å; F229-V232 HydrophobicContact CB-CG2 3.89Å; F229-V232 WeakPolarHBondContact O-CB 3.49Å; F229-V232 PolarHBondContact O-N 2.93Å; P230-V232 VanDerWaalsContact C-N 3.27Å; V232-G234 PolarHBondContact O-N 3.38Å |
| 233 | E | 97.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | trans | -79.9 | 58.6 | 172 | -71.8 | -60.2 | 145.8 | 0 | 0 | 111.3 | T235 R237 | E233-T235 VanDerWaalsContact C-N 3.33Å; E233-T235 PolarHBondContact O-N 3.47Å; E233-R237 IonicContact OE1-CZ 3.39Å; E233-R237 IonicContact OE1-NE 2.74Å; E233-R237 IonicContact OE1-NH2 3.31Å; E233-R237 PolarHBondContact OE1-NH2 2.76Å; E233-R237 IonicContact OE2-CZ 3.26Å; E233-R237 IonicContact OE2-NE 3.88Å; E233-R237 PolarHBondContact OE2-NE 3.34Å; E233-R237 IonicContact OE2-NH2 3.65Å; E233-R237 PolarHBondContact OE2-NH2 3.05Å | ||
| 234 | G | 97.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | trans | -88.5 | 9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y223 V232 | Y223-G234 WeakPolarHBondContact CD2-O 3.3Å; Y223-G234 WeakPolarHBondContact CE2-O 3.42Å; V232-G234 PolarHBondContact O-N 3.38Å | ||
| 235 | T | 98.6 | Very high | 98.5 | Very high | 22 Ų | 22 | 31.7 Ų | 31.7 | 14% | 0.135 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -129 | 154.6 | -177.2 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | Y223 R227 E233 R237 | Y223-T235 HydrophobicContact CE2-CG2 4.08Å; R227-T235 HydrophobicContact CB-CG2 4.46Å; E233-T235 VanDerWaalsContact C-N 3.33Å; E233-T235 PolarHBondContact O-N 3.47Å; T235-R237 VanDerWaalsContact C-N 3.32Å; T235-R237 PolarHBondContact O-N 3.33Å |
| 236 | S | 98.6 | Very high | 98.5 | Very high | 20 Ų | 20 | 26.6 Ų | 26.6 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | trans | -68.2 | -23.7 | -169.9 | 71.4 | 0 | 0 | 0 | 0 | 116 | F215 L238 | F215-S236 VanDerWaalsContact CD2-CA 3.44Å; S236-L238 PolarHBondContact O-N 3.44Å; S236-L238 VanDerWaalsContact O-N 3.08Å; S236-L238 PolarHBondContact OG-N 2.9Å | ||
| 237 | R | 98.5 | Very high | 98.5 | Very high | 21 Ų | 21 | 24.1 Ų | 24.1 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | trans | 54 | 16.9 | -168.4 | -63.8 | -177.2 | 171.4 | -85.3 | -0.4 | 116 | H200 F201 E233 T235 S239 W339 | H200-R237 VanDerWaalsContact CD2-CD 3.48Å; H200-R237 WeakPolarHBondContact CD2-CD 3.31Å; F201-R237 HydrophobicContact CE1-CB 4.26Å; E233-R237 IonicContact OE1-CZ 3.39Å; E233-R237 IonicContact OE1-NE 2.74Å; E233-R237 IonicContact OE1-NH2 3.31Å; E233-R237 PolarHBondContact OE1-NH2 2.76Å; E233-R237 IonicContact OE2-CZ 3.26Å; E233-R237 IonicContact OE2-NE 3.88Å; E233-R237 PolarHBondContact OE2-NE 3.34Å; E233-R237 IonicContact OE2-NH2 3.65Å; E233-R237 PolarHBondContact OE2-NH2 3.05Å; T235-R237 VanDerWaalsContact C-N 3.32Å; T235-R237 PolarHBondContact O-N 3.33Å; R237-S239 PolarHBondContact O-N 2.98Å; R237-W339 HydrophobicContact CG-CZ2 4.35Å | ||
| 238 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.1 | 178 | -59.6 | 171.4 | 0 | 0 | 0 | 114.3 | Q211 L212 S236 A240 S241 L242 L247 W272 | Q211-L238 HydrophobicContact CB-CD2 4.12Å; Q211-L238 HydrophobicContact CG-CD2 4.05Å; Q211-L238 VanDerWaalsContact OE1-CD2 3.31Å; L212-L238 HydrophobicContact CB-CD1 3.84Å; L212-L238 HydrophobicContact CB-CD2 4.24Å; L212-L238 HydrophobicContact CD1-CD1 3.59Å; L212-L238 HydrophobicContact CG-CD1 4.28Å; S236-L238 PolarHBondContact O-N 3.44Å; S236-L238 VanDerWaalsContact O-N 3.08Å; S236-L238 PolarHBondContact OG-N 2.9Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.31Å; L238-S241 PolarHBondContact O-N 2.8Å; L238-L242 PolarHBondContact O-N 2.91Å; L238-L247 HydrophobicContact CD2-CD1 3.82Å; L238-W272 HydrophobicContact CD1-CZ2 4.18Å |
| 239 | S | 98.8 | Very high | 98.6 | Very high | 38 Ų | 38 | 19.3 Ų | 19.3 | 27% | 0.266 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -60.6 | -38.4 | -175.2 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | R237 L242 A243 W339 D373 | R237-S239 PolarHBondContact O-N 2.98Å; S239-L242 PolarHBondContact O-N 2.94Å; S239-A243 VanDerWaalsContact O-CB 3.32Å; S239-A243 WeakPolarHBondContact O-CB 3.36Å; S239-A243 PolarHBondContact O-N 3.41Å; S239-W339 PolarHBondContact OG-NE1 3.08Å; S239-D373 VanDerWaalsContact CB-OD2 3.24Å; S239-D373 WeakPolarHBondContact CB-OD2 3.44Å; S239-D373 PolarHBondContact OG-OD2 2.88Å |
| 240 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L54 F201 L238 L242 A243 T244 I372 D373 | L54-A240 HydrophobicContact CD2-CB 3.7Å; F201-A240 HydrophobicContact CD1-CB 3.77Å; F201-A240 HydrophobicContact CE1-CB 4.44Å; F201-A240 HydrophobicContact CG-CB 4.42Å; L238-A240 VanDerWaalsContact C-N 3.3Å; L238-A240 PolarHBondContact O-N 3.31Å; A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 PolarHBondContact O-N 2.88Å; A240-A243 PolarHBondContact O-N 3.34Å; A240-T244 PolarHBondContact O-N 3.42Å; A240-T244 PolarHBondContact O-OG1 3.02Å; A240-I372 HydrophobicContact CB-CD1 4.44Å; A240-I372 HydrophobicContact CB-CG1 4.21Å; A240-I372 HydrophobicContact CB-CG2 4.14Å; A240-D373 HydrophobicContact CB-CB 4.44Å |
| 241 | S | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 176.3 | -50.9 | 0 | 0 | 0 | 0 | 112.6 | L238 G245 G246 L247 | L238-S241 PolarHBondContact O-N 2.8Å; S241-G245 CarbonylContact O-C 3.21Å; S241-G245 WeakPolarHBondContact O-CA 3.31Å; S241-G245 PolarHBondContact O-N 3.44Å; S241-G246 PolarHBondContact O-N 2.93Å; S241-L247 PolarHBondContact O-N 3.37Å; S241-L247 VanDerWaalsContact O-N 3.09Å |
| 242 | L | 98.9 | Very high | 98.7 | Very high | 16 Ų | 16 | 15.4 Ų | 15.4 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -74.1 | -27.6 | 176.5 | -82 | 170.7 | 0 | 0 | 0 | 113.8 | L238 S239 A240 P249 L276 R279 | L238-L242 PolarHBondContact O-N 2.91Å; S239-L242 PolarHBondContact O-N 2.94Å; A240-L242 VanDerWaalsContact C-N 3.32Å; A240-L242 PolarHBondContact O-N 2.88Å; L242-P249 HydrophobicContact CD2-CB 4.26Å; L242-L276 HydrophobicContact CD1-CD2 4.2Å; L242-R279 PolarHBondContact O-NH2 2.89Å; L242-R279 VanDerWaalsContact O-NH2 3.12Å |
| 243 | A | 98.8 | Very high | 98.7 | Very high | 11 Ų | 11 | 12.5 Ų | 12.5 | 9% | 0.091 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -77.8 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S239 A240 D375 | S239-A243 VanDerWaalsContact O-CB 3.32Å; S239-A243 WeakPolarHBondContact O-CB 3.36Å; S239-A243 PolarHBondContact O-N 3.41Å; A240-A243 PolarHBondContact O-N 3.34Å; A243-D375 HydrophobicContact CB-CB 4.35Å |
| 244 | T | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -88.7 | -3.7 | -179.9 | 68.3 | 0 | 0 | 0 | 0 | 114.6 | Q10 D11 Q51 L54 I55 Q58 A240 G246 | Q10-T244 CarbonylContact C-O 3.49Å; Q10-T244 VanDerWaalsContact OE1-CA 3.24Å; D11-T244 PolarHBondContact N-O 3.39Å; Q51-T244 HydrophobicContact CG-CG2 3.84Å; L54-T244 HydrophobicContact CD2-CG2 3.9Å; L54-T244 HydrophobicContact CG-CG2 4.37Å; I55-T244 HydrophobicContact CD1-CG2 4.37Å; I55-T244 HydrophobicContact CG1-CG2 3.86Å; Q58-T244 PolarHBondContact NE2-OG1 2.97Å; Q58-T244 VanDerWaalsContact NE2-OG1 3.17Å; Q58-T244 PolarHBondContact OE1-OG1 3.1Å; A240-T244 PolarHBondContact O-N 3.42Å; A240-T244 PolarHBondContact O-OG1 3.02Å; T244-G246 VanDerWaalsContact C-N 3.33Å; T244-G246 PolarHBondContact O-N 3.41Å |
| 245 | G | 98.7 | Very high | 98.8 | Very high | 4 Ų | 4 | 13.7 Ų | 13.7 | 4% | 0.041 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 19.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q10 D11 R13 S241 L247 | Q10-G245 VanDerWaalsContact O-CA 3.31Å; Q10-G245 WeakPolarHBondContact O-CA 3.47Å; D11-G245 CarbonylContact C-O 3.58Å; R13-G245 VanDerWaalsContact CD-O 3.23Å; R13-G245 WeakPolarHBondContact CD-O 3.43Å; R13-G245 WeakPolarHBondContact CG-O 3.06Å; R13-G245 PolarHBondContact NH1-O 3.14Å; S241-G245 CarbonylContact O-C 3.21Å; S241-G245 WeakPolarHBondContact O-CA 3.31Å; S241-G245 PolarHBondContact O-N 3.44Å; G245-L247 PolarHBondContact O-N 3.25Å |
| 246 | G | 98.6 | Very high | 98.8 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 4% | 0.041 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -66.5 | -16.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S241 T244 | S241-G246 PolarHBondContact O-N 2.93Å; T244-G246 VanDerWaalsContact C-N 3.33Å; T244-G246 PolarHBondContact O-N 3.41Å |
| 247 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -135.9 | 145.1 | 165.3 | -80.2 | 172.7 | 0 | 0 | 0 | 110.2 | A208 I209 L212 L238 S241 G245 Q251 | A208-L247 HydrophobicContact CB-CD1 4.09Å; A208-L247 HydrophobicContact CB-CD2 4.43Å; A208-L247 HydrophobicContact CB-CG 3.99Å; I209-L247 HydrophobicContact CG1-CD2 3.85Å; L212-L247 HydrophobicContact CB-CD1 4.2Å; L212-L247 HydrophobicContact CD2-CD1 4.41Å; L212-L247 HydrophobicContact CD2-CD2 4.31Å; L238-L247 HydrophobicContact CD2-CD1 3.82Å; S241-L247 PolarHBondContact O-N 3.37Å; S241-L247 VanDerWaalsContact O-N 3.09Å; G245-L247 PolarHBondContact O-N 3.25Å; L247-Q251 HydrophobicContact CD2-CB 4.49Å |
| 248 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -83.4 | 153.1 | 167.7 | 99.5 | 0 | 0 | 0 | 0 | 111 | D16 R250 Q251 C252 | D16-S248 WeakPolarHBondContact OD2-CB 3.31Å; D16-S248 PolarHBondContact OD2-OG 3.38Å; S248-R250 PolarHBondContact O-N 3.08Å; S248-R250 PolarHBondContact OG-N 3.29Å; S248-R250 VanDerWaalsContact OG-N 3.1Å; S248-Q251 PolarHBondContact O-N 3.22Å; S248-Q251 WeakPolarHBondContact OG-CG 3.37Å; S248-Q251 PolarHBondContact OG-N 3.37Å; S248-C252 PolarHBondContact O-N 3.26Å | ||
| 249 | P | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.019 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.6 | -21.8 | 172.2 | 33.6 | -38.5 | 0 | 0 | 0 | 112.4 | I134 L242 C252 L253 | I134-P249 HydrophobicContact CD1-CB 4.2Å; I134-P249 HydrophobicContact CG1-CB 3.8Å; I134-P249 HydrophobicContact CG1-CG 4.04Å; L242-P249 HydrophobicContact CD2-CB 4.26Å; P249-C252 WeakPolarHBondContact O-CB 3.43Å; P249-C252 PolarHBondContact O-N 3.29Å; P249-L253 PolarHBondContact O-N 2.96Å |
| 250 | R | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 17.4 Ų | 17.4 | 2% | 0.015 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -70.4 | -37.5 | 173.1 | -70.2 | 174.5 | -57.9 | -73.2 | -5.8 | 111.3 | D16 D131 V133 I134 P167 S248 C252 L253 H254 | D16-R250 PolarHBondContact O-NH2 2.86Å; D16-R250 IonicContact OD1-CZ 3.73Å; D16-R250 IonicContact OD1-NE 3.98Å; D16-R250 PolarHBondContact OD1-NE 3.14Å; D16-R250 IonicContact OD1-NH2 3.82Å; D16-R250 PolarHBondContact OD1-NH2 3.19Å; D16-R250 VanDerWaalsContact OD2-CB 3.26Å; D16-R250 WeakPolarHBondContact OD2-CB 3.36Å; D16-R250 IonicContact OD2-CZ 2.81Å; D16-R250 IonicContact OD2-NE 3.39Å; D16-R250 PolarHBondContact OD2-NE 2.85Å; D16-R250 IonicContact OD2-NH2 2.77Å; D131-R250 PolarHBondContact O-NH1 2.71Å; D131-R250 PolarHBondContact O-NH2 3.39Å; D131-R250 IonicContact OD1-CZ 3.69Å; D131-R250 IonicContact OD1-NH2 3.86Å; D131-R250 PolarHBondContact OD1-NH2 2.78Å; V133-R250 PolarHBondContact O-NH1 2.77Å; I134-R250 HydrophobicContact CG1-CG 4.25Å; P167-R250 HydrophobicContact CG-CG 4.43Å; S248-R250 PolarHBondContact O-N 3.08Å; S248-R250 PolarHBondContact OG-N 3.29Å; S248-R250 VanDerWaalsContact OG-N 3.1Å; R250-C252 VanDerWaalsContact C-N 3.28Å; R250-C252 PolarHBondContact O-N 3.31Å; R250-L253 PolarHBondContact O-N 3.28Å; R250-H254 PolarHBondContact O-N 2.87Å; R250-H254 PolarHBondContact O-ND1 2.97Å |
| 251 | Q | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 21.6 Ų | 21.6 | 10% | 0.103 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 171.5 | -71.1 | 174 | -85.7 | 0 | 0 | 110.2 | D16 L212 L247 S248 R255 | D16-Q251 HydrophobicContact CB-CG 3.78Å; L212-Q251 HydrophobicContact CD2-CB 4.17Å; L247-Q251 HydrophobicContact CD2-CB 4.49Å; S248-Q251 PolarHBondContact O-N 3.22Å; S248-Q251 WeakPolarHBondContact OG-CG 3.37Å; S248-Q251 PolarHBondContact OG-N 3.37Å; Q251-R255 VanDerWaalsContact O-CB 3.24Å; Q251-R255 WeakPolarHBondContact O-CB 3.43Å; Q251-R255 PolarHBondContact O-N 3.12Å |
| 252 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -48.3 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | L212 S248 P249 R250 L256 W272 L276 | L212-C252 HydrophobicContact CD1-CB 4.3Å; S248-C252 PolarHBondContact O-N 3.26Å; P249-C252 WeakPolarHBondContact O-CB 3.43Å; P249-C252 PolarHBondContact O-N 3.29Å; R250-C252 VanDerWaalsContact C-N 3.28Å; R250-C252 PolarHBondContact O-N 3.31Å; C252-L256 VanDerWaalsContact O-CB 3.29Å; C252-L256 WeakPolarHBondContact O-CB 3.33Å; C252-L256 PolarHBondContact O-N 2.91Å; C252-W272 HydrophobicContact CB-CH2 3.82Å; C252-W272 HydrophobicContact CB-CZ3 4.3Å; C252-L276 HydrophobicContact CB-CD1 3.87Å; C252-L276 HydrophobicContact CB-CD2 4.35Å |
| 253 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.9 | -53.8 | 178 | 176.2 | 65.8 | 0 | 0 | 0 | 111.9 | I134 L162 M166 P249 R250 R255 L256 L257 L273 | I134-L253 HydrophobicContact CD1-CB 3.99Å; I134-L253 HydrophobicContact CD1-CD2 4.28Å; I134-L253 HydrophobicContact CG2-CD2 3.84Å; L162-L253 HydrophobicContact CD1-CD2 4.02Å; L162-L253 HydrophobicContact CD2-CD1 4.3Å; L162-L253 HydrophobicContact CD2-CD2 4.14Å; M166-L253 HydrophobicContact CG-CD2 4.17Å; M166-L253 HydrophobicContact SD-CD2 4.23Å; P249-L253 PolarHBondContact O-N 2.96Å; R250-L253 PolarHBondContact O-N 3.28Å; L253-R255 PolarHBondContact O-N 3.35Å; L253-L256 WeakPolarHBondContact O-CB 3.48Å; L253-L256 PolarHBondContact O-N 3.34Å; L253-L257 HydrophobicContact CD1-CD1 3.89Å; L253-L257 HydrophobicContact CD1-CG 4.14Å; L253-L257 HydrophobicContact CG-CD1 4.18Å; L253-L257 WeakPolarHBondContact O-CG 3.24Å; L253-L257 PolarHBondContact O-N 3.41Å; L253-L273 HydrophobicContact CD1-CD1 3.84Å |
| 254 | H | 98.8 | Very high | 98.6 | Very high | 54 Ų | 54 | 27 Ų | 27 | 25% | 0.25 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70 | -37.5 | -173.6 | -68.9 | 69.5 | 0 | 0 | 0 | 111.6 | P167 R250 L256 L257 A258 | P167-H254 PolarHBondContact O-CE1 3.01Å; P167-H254 PolarHBondContact O-NE2 2.74Å; R250-H254 PolarHBondContact O-N 2.87Å; R250-H254 PolarHBondContact O-ND1 2.97Å; H254-L256 VanDerWaalsContact C-N 3.33Å; H254-L257 PolarHBondContact O-N 2.74Å; H254-A258 WeakPolarHBondContact O-CB 3.4Å; H254-A258 PolarHBondContact O-N 3.36Å |
| 255 | R | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 31.3 Ų | 31.3 | 25% | 0.249 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -39.2 | 173.2 | -178.8 | 48.4 | 57.9 | -171.3 | -10.3 | 111.2 | L212 C216 Q251 L253 A258 E259 | L212-R255 HydrophobicContact CD1-CB 4.33Å; L212-R255 HydrophobicContact CD1-CG 4.31Å; L212-R255 HydrophobicContact CD2-CB 4.02Å; L212-R255 HydrophobicContact CD2-CG 4.37Å; L212-R255 HydrophobicContact CG-CB 4.02Å; L212-R255 HydrophobicContact CG-CG 3.89Å; C216-R255 HydrophobicContact CB-CG 3.83Å; Q251-R255 VanDerWaalsContact O-CB 3.24Å; Q251-R255 WeakPolarHBondContact O-CB 3.43Å; Q251-R255 PolarHBondContact O-N 3.12Å; L253-R255 PolarHBondContact O-N 3.35Å; R255-A258 PolarHBondContact O-N 2.59Å; R255-E259 IonicContact CZ-OE1 3.41Å; R255-E259 IonicContact NH1-OE1 3.82Å; R255-E259 PolarHBondContact NH1-OE1 2.95Å; R255-E259 WeakPolarHBondContact O-CG 3.41Å; R255-E259 PolarHBondContact O-N 2.88Å |
| 256 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -52.4 | 174.5 | 179.7 | 65.1 | 0 | 0 | 0 | 111.7 | A220 C252 L253 H254 A258 E259 Q260 A263 W272 L273 | A220-L256 HydrophobicContact CB-CD1 3.9Å; C252-L256 VanDerWaalsContact O-CB 3.29Å; C252-L256 WeakPolarHBondContact O-CB 3.33Å; C252-L256 PolarHBondContact O-N 2.91Å; L253-L256 WeakPolarHBondContact O-CB 3.48Å; L253-L256 PolarHBondContact O-N 3.34Å; H254-L256 VanDerWaalsContact C-N 3.33Å; L256-A258 PolarHBondContact O-N 2.99Å; L256-E259 PolarHBondContact O-N 3.4Å; L256-E259 VanDerWaalsContact O-N 3.15Å; L256-Q260 HydrophobicContact CD1-CB 4.01Å; L256-Q260 HydrophobicContact CD1-CG 3.85Å; L256-Q260 HydrophobicContact CG-CB 4.5Å; L256-Q260 WeakPolarHBondContact O-CA 3.37Å; L256-Q260 WeakPolarHBondContact O-CB 3.43Å; L256-Q260 PolarHBondContact O-N 3.42Å; L256-A263 HydrophobicContact CD2-CB 3.96Å; L256-A263 HydrophobicContact CG-CB 4.09Å; L256-W272 HydrophobicContact CB-CE3 4.22Å; L256-W272 HydrophobicContact CB-CZ3 3.93Å; L256-W272 HydrophobicContact CD1-CE3 3.73Å; L256-W272 HydrophobicContact CD1-CZ3 4.2Å; L256-W272 HydrophobicContact CD2-CE3 3.74Å; L256-W272 HydrophobicContact CD2-CZ3 4.18Å; L256-W272 HydrophobicContact CG-CE3 4.1Å; L256-W272 HydrophobicContact CG-CZ3 4.32Å; L256-L273 HydrophobicContact CD2-CB 3.7Å; L256-L273 HydrophobicContact CD2-CD1 4.3Å; L256-L273 HydrophobicContact CD2-CG 4.45Å |
| 257 | L | 98.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -26.9 | -175.8 | -61.2 | -178.4 | 0 | 0 | 0 | 112.9 | M166 L253 H254 P261 A263 L264 | M166-L257 HydrophobicContact CE-CD1 3.66Å; M166-L257 HydrophobicContact SD-CD1 3.81Å; L253-L257 HydrophobicContact CD1-CD1 3.89Å; L253-L257 HydrophobicContact CD1-CG 4.14Å; L253-L257 HydrophobicContact CG-CD1 4.18Å; L253-L257 WeakPolarHBondContact O-CG 3.24Å; L253-L257 PolarHBondContact O-N 3.41Å; H254-L257 PolarHBondContact O-N 2.74Å; L257-P261 WeakPolarHBondContact O-CA 3.1Å; L257-A263 HydrophobicContact CD2-CB 3.99Å; L257-L264 HydrophobicContact CD1-CD1 3.75Å; L257-L264 HydrophobicContact CD1-CG 4.17Å; L257-L264 HydrophobicContact CD2-CD1 4.11Å; L257-L264 HydrophobicContact CD2-CG 3.73Å |
| 258 | A | 98.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 51% | 0.512 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.7 | -38 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H254 R255 L256 | H254-A258 WeakPolarHBondContact O-CB 3.4Å; H254-A258 PolarHBondContact O-N 3.36Å; R255-A258 PolarHBondContact O-N 2.59Å; L256-A258 PolarHBondContact O-N 2.99Å |
| 259 | E | 98.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -97.7 | -24.5 | -176.8 | -49.2 | -63.2 | 171.7 | 0 | 0 | 112.5 | C216 Q217 R255 L256 | C216-E259 HydrophobicContact CB-CB 4.11Å; C216-E259 HydrophobicContact CB-CG 3.79Å; C216-E259 WeakPolarHBondContact O-CB 3.26Å; Q217-E259 VanDerWaalsContact CG-CD 3.41Å; Q217-E259 HydrophobicContact CG-CG 3.86Å; Q217-E259 WeakPolarHBondContact CG-OE2 3.31Å; Q217-E259 PolarHBondContact NE2-OE1 3.05Å; R255-E259 IonicContact CZ-OE1 3.41Å; R255-E259 IonicContact NH1-OE1 3.82Å; R255-E259 PolarHBondContact NH1-OE1 2.95Å; R255-E259 WeakPolarHBondContact O-CG 3.41Å; R255-E259 PolarHBondContact O-N 2.88Å; L256-E259 PolarHBondContact O-N 3.4Å; L256-E259 VanDerWaalsContact O-N 3.15Å |
| 260 | Q | 98.4 | Very high | 98.4 | Very high | 29 Ų | 29 | 38.4 Ų | 38.4 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | trans | -129.7 | 72 | -177.6 | -51.9 | -59.3 | -31.1 | 0 | 0 | 110.1 | C216 A220 L256 Q262 A263 | C216-Q260 PolarHBondContact O-NE2 2.62Å; A220-Q260 HydrophobicContact CB-CG 4.1Å; L256-Q260 HydrophobicContact CD1-CB 4.01Å; L256-Q260 HydrophobicContact CD1-CG 3.85Å; L256-Q260 HydrophobicContact CG-CB 4.5Å; L256-Q260 WeakPolarHBondContact O-CA 3.37Å; L256-Q260 WeakPolarHBondContact O-CB 3.43Å; L256-Q260 PolarHBondContact O-N 3.42Å; Q260-Q262 PolarHBondContact O-N 3.14Å; Q260-A263 HydrophobicContact CB-CB 4.22Å; Q260-A263 VanDerWaalsContact O-CB 3.28Å; Q260-A263 WeakPolarHBondContact O-CB 3.46Å; Q260-A263 PolarHBondContact O-N 3.12Å | ||
| 261 | P | 98.1 | Very high | 98.4 | Very high | 89 Ų | 89 | 39.5 Ų | 39.5 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.3 | -169.9 | -26.3 | 36 | 0 | 0 | 0 | 115 | L257 | L257-P261 WeakPolarHBondContact O-CA 3.1Š|
| 262 | Q | 98.1 | Very high | 98.4 | Very high | 115 Ų | 115 | 38.9 Ų | 38.9 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 4.2 | 179.5 | -65.8 | -64.5 | -67.2 | 0 | 0 | 113.6 | Q260 L264 D265 G266 G267 | Q260-Q262 PolarHBondContact O-N 3.14Å; Q262-L264 PolarHBondContact O-N 3.43Å; Q262-D265 CarbonylContact O-C 3.49Å; Q262-D265 PolarHBondContact O-N 3.3Å; Q262-G266 PolarHBondContact O-N 2.95Å; Q262-G267 PolarHBondContact O-N 3.37Å |
| 263 | A | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -61.6 | -30.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L256 L257 Q260 D265 A268 S270 | L256-A263 HydrophobicContact CD2-CB 3.96Å; L256-A263 HydrophobicContact CG-CB 4.09Å; L257-A263 HydrophobicContact CD2-CB 3.99Å; Q260-A263 HydrophobicContact CB-CB 4.22Å; Q260-A263 VanDerWaalsContact O-CB 3.28Å; Q260-A263 WeakPolarHBondContact O-CB 3.46Å; Q260-A263 PolarHBondContact O-N 3.12Å; A263-D265 VanDerWaalsContact C-N 3.31Å; A263-A268 WeakPolarHBondContact CA-O 3.32Å; A263-A268 WeakPolarHBondContact CB-O 3.24Å; A263-S270 WeakPolarHBondContact O-CA 3.36Å; A263-S270 WeakPolarHBondContact O-CB 3.4Å |
| 264 | L | 97.6 | Very high | 98.4 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -71.9 | -26.2 | 174.7 | -75.9 | 172.9 | 0 | 0 | 0 | 113.4 | L159 L162 R163 M166 L257 Q262 L273 | L159-L264 HydrophobicContact CD2-CD2 3.64Å; L162-L264 HydrophobicContact CD2-CD2 3.65Å; R163-L264 VanDerWaalsContact NH2-C 3.3Å; R163-L264 PolarHBondContact NH2-O 3.1Å; M166-L264 HydrophobicContact CE-CD1 3.62Å; L257-L264 HydrophobicContact CD1-CD1 3.75Å; L257-L264 HydrophobicContact CD1-CG 4.17Å; L257-L264 HydrophobicContact CD2-CD1 4.11Å; L257-L264 HydrophobicContact CD2-CG 3.73Å; Q262-L264 PolarHBondContact O-N 3.43Å; L264-L273 HydrophobicContact CD2-CD2 3.77Å; L264-L273 HydrophobicContact CG-CD2 4.49Å |
| 265 | D | 97.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 39.5 Ų | 39.5 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -103 | 12.5 | -172.6 | -57.1 | -62.4 | 0 | 0 | 0 | 112.5 | R163 Q262 A263 | R163-D265 IonicContact CZ-OD1 3.19Å; R163-D265 IonicContact NH1-OD1 2.78Å; R163-D265 PolarHBondContact NH1-OD1 2.86Å; R163-D265 IonicContact NH2-OD1 2.88Å; R163-D265 PolarHBondContact NH2-OD1 2.97Å; Q262-D265 CarbonylContact O-C 3.49Å; Q262-D265 PolarHBondContact O-N 3.3Å; A263-D265 VanDerWaalsContact C-N 3.31Å |
| 266 | G | 96.9 | Very high | 98.3 | Very high | 55 Ų | 55 | 36.8 Ų | 36.8 | 57% | 0.567 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.8 | 4.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q262 S270 | Q262-G266 PolarHBondContact O-N 2.95Å; G266-S270 PolarHBondContact O-OG 2.93Å |
| 267 | G | 98.1 | Very high | 98.3 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -73.9 | -163 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q262 S270 | Q262-G267 PolarHBondContact O-N 3.37Å; G267-S270 WeakPolarHBondContact O-CB 3.38Å; G267-S270 PolarHBondContact O-N 3.32Å; G267-S270 VanDerWaalsContact O-N 3.1Å; G267-S270 PolarHBondContact O-OG 2.97Å |
| 268 | A | 98 | Very high | 98.3 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 144.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A263 S270 | A263-A268 WeakPolarHBondContact CA-O 3.32Å; A263-A268 WeakPolarHBondContact CB-O 3.24Å; A268-S270 PolarHBondContact O-N 2.74Å |
| 269 | G | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -14.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A220 V271 W272 L273 | A220-G269 WeakPolarHBondContact O-CA 3.39Å; A220-G269 PolarHBondContact O-N 3.2Å; G269-V271 VanDerWaalsContact C-N 3.29Å; G269-V271 PolarHBondContact O-N 3.47Å; G269-W272 PolarHBondContact O-N 2.68Å; G269-W272 VanDerWaalsContact O-N 3.14Å; G269-L273 PolarHBondContact O-N 3.02Å |
| 270 | S | 98.6 | Very high | 98.4 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -31.8 | -178.6 | 67.6 | 0 | 0 | 0 | 0 | 113.7 | A263 G266 G267 A268 L273 S274 | A263-S270 WeakPolarHBondContact O-CA 3.36Å; A263-S270 WeakPolarHBondContact O-CB 3.4Å; G266-S270 PolarHBondContact O-OG 2.93Å; G267-S270 WeakPolarHBondContact O-CB 3.38Å; G267-S270 PolarHBondContact O-N 3.32Å; G267-S270 VanDerWaalsContact O-N 3.1Å; G267-S270 PolarHBondContact O-OG 2.97Å; A268-S270 PolarHBondContact O-N 2.74Å; S270-L273 PolarHBondContact O-N 3.39Å; S270-S274 PolarHBondContact O-N 3.33Å |
| 271 | V | 98.7 | Very high | 98.4 | Very high | 28 Ų | 28 | 32.4 Ų | 32.4 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.2 | -39 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | Y223 E224 G269 S274 E275 | Y223-V271 HydrophobicContact CD1-CB 4.28Å; Y223-V271 HydrophobicContact CD1-CG1 3.93Å; Y223-V271 HydrophobicContact CE1-CG1 4.21Å; E224-V271 HydrophobicContact CB-CB 4.2Å; E224-V271 HydrophobicContact CB-CG1 4.32Å; E224-V271 HydrophobicContact CB-CG2 3.89Å; E224-V271 HydrophobicContact CG-CG2 3.97Å; G269-V271 VanDerWaalsContact C-N 3.29Å; G269-V271 PolarHBondContact O-N 3.47Å; V271-S274 VanDerWaalsContact O-CB 3.29Å; V271-S274 WeakPolarHBondContact O-CB 3.06Å; V271-S274 PolarHBondContact O-N 3.08Å; V271-E275 PolarHBondContact O-N 2.97Å |
| 272 | W | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -40.6 | 174 | -171.1 | 70.8 | 0 | 0 | 0 | 111.8 | L212 F215 Y223 L238 C252 L256 G269 S274 E275 L276 | L212-W272 HydrophobicContact CD1-CH2 3.83Å; F215-W272 HydrophobicContact CD1-CD2 4.37Å; F215-W272 AromaticContact CD1-CE2 3.95Å; F215-W272 HydrophobicContact CD1-CH2 4.47Å; F215-W272 HydrophobicContact CD1-CZ2 4.01Å; F215-W272 AromaticContact CE1-CD1 3.52Å; F215-W272 AromaticContact CE1-CD2 3.53Å; F215-W272 HydrophobicContact CE1-CD2 3.53Å; F215-W272 AromaticContact CE1-CE2 3.31Å; F215-W272 HydrophobicContact CE1-CE3 4.25Å; F215-W272 AromaticContact CE1-CG 3.64Å; F215-W272 HydrophobicContact CE1-CG 3.64Å; F215-W272 AromaticContact CE1-CZ2 3.86Å; F215-W272 HydrophobicContact CE1-CZ2 3.86Å; F215-W272 AromaticContact CE1-NE1 3.32Å; F215-W272 VanDerWaalsContact CE1-NE1 3.32Å; F215-W272 AromaticContact CZ-CD1 3.58Å; F215-W272 HydrophobicContact CZ-CD2 4.35Å; F215-W272 HydrophobicContact CZ-CG 4.02Å; F215-W272 AromaticContact CZ-NE1 3.65Å; Y223-W272 HydrophobicContact CD1-CB 3.69Å; Y223-W272 HydrophobicContact CD1-CG 4.35Å; Y223-W272 HydrophobicContact CE1-CB 4.04Å; Y223-W272 AromaticContact CE1-CD1 3.84Å; Y223-W272 HydrophobicContact CE1-CG 4.38Å; Y223-W272 AromaticContact CE2-CD1 3.75Å; Y223-W272 HydrophobicContact CG-CB 4.04Å; Y223-W272 HydrophobicContact CG-CG 4.5Å; Y223-W272 AromaticContact CZ-CD1 3.67Å; L238-W272 HydrophobicContact CD1-CZ2 4.18Å; C252-W272 HydrophobicContact CB-CH2 3.82Å; C252-W272 HydrophobicContact CB-CZ3 4.3Å; L256-W272 HydrophobicContact CB-CE3 4.22Å; L256-W272 HydrophobicContact CB-CZ3 3.93Å; L256-W272 HydrophobicContact CD1-CE3 3.73Å; L256-W272 HydrophobicContact CD1-CZ3 4.2Å; L256-W272 HydrophobicContact CD2-CE3 3.74Å; L256-W272 HydrophobicContact CD2-CZ3 4.18Å; L256-W272 HydrophobicContact CG-CE3 4.1Å; L256-W272 HydrophobicContact CG-CZ3 4.32Å; G269-W272 PolarHBondContact O-N 2.68Å; G269-W272 VanDerWaalsContact O-N 3.14Å; W272-S274 PolarHBondContact O-N 3.4Å; W272-E275 WeakPolarHBondContact O-CB 3.14Å; W272-E275 PolarHBondContact O-N 3.39Å; W272-L276 HydrophobicContact CE3-CD1 4.1Å; W272-L276 HydrophobicContact CH2-CD1 4.1Å; W272-L276 HydrophobicContact CZ3-CD1 3.76Å; W272-L276 PolarHBondContact O-N 3.43Å |
| 273 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.2 | -39.8 | 170.8 | -179.9 | 59.4 | 0 | 0 | 0 | 111.3 | L159 L253 L256 L264 G269 S270 E275 L276 I277 | L159-L273 HydrophobicContact CD2-CD2 4.19Å; L253-L273 HydrophobicContact CD1-CD1 3.84Å; L256-L273 HydrophobicContact CD2-CB 3.7Å; L256-L273 HydrophobicContact CD2-CD1 4.3Å; L256-L273 HydrophobicContact CD2-CG 4.45Å; L264-L273 HydrophobicContact CD2-CD2 3.77Å; L264-L273 HydrophobicContact CG-CD2 4.49Å; G269-L273 PolarHBondContact O-N 3.02Å; S270-L273 PolarHBondContact O-N 3.39Å; L273-E275 PolarHBondContact O-N 3.28Å; L273-L276 HydrophobicContact CD1-CD1 4.45Å; L273-L276 WeakPolarHBondContact O-CB 3.27Å; L273-L276 PolarHBondContact O-N 2.95Å; L273-L276 VanDerWaalsContact O-N 3.09Å; L273-I277 HydrophobicContact CG-CD1 4.09Å; L273-I277 HydrophobicContact CG-CG1 4.47Å; L273-I277 WeakPolarHBondContact O-CG1 3.16Å; L273-I277 PolarHBondContact O-N 3.22Å |
| 274 | S | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 10% | 0.098 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -34.1 | 177.2 | -158.2 | 0 | 0 | 0 | 0 | 112.8 | K155 S270 V271 W272 I277 W278 | K155-S274 PolarHBondContact NZ-OG 3.3Å; S270-S274 PolarHBondContact O-N 3.33Å; V271-S274 VanDerWaalsContact O-CB 3.29Å; V271-S274 WeakPolarHBondContact O-CB 3.06Å; V271-S274 PolarHBondContact O-N 3.08Å; W272-S274 PolarHBondContact O-N 3.4Å; S274-I277 PolarHBondContact O-N 2.91Å; S274-W278 PolarHBondContact O-N 3.29Å |
| 275 | E | 98.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 23% | 0.229 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.1 | -35 | 175.6 | -57.5 | -54.1 | 134.3 | 0 | 0 | 112 | Y223 R227 V271 W272 L273 I277 W278 R279 | Y223-E275 HydrophobicContact CE1-CG 3.97Å; R227-E275 IonicContact CZ-OE1 2.67Å; R227-E275 IonicContact NH1-OE1 3.67Å; R227-E275 PolarHBondContact NH1-OE1 3.04Å; R227-E275 IonicContact NH2-OE1 3.87Å; V271-E275 PolarHBondContact O-N 2.97Å; W272-E275 WeakPolarHBondContact O-CB 3.14Å; W272-E275 PolarHBondContact O-N 3.39Å; L273-E275 PolarHBondContact O-N 3.28Å; E275-I277 VanDerWaalsContact C-N 3.3Å; E275-I277 PolarHBondContact O-N 3.05Å; E275-W278 WeakPolarHBondContact O-CB 3.45Å; E275-W278 PolarHBondContact O-N 2.69Å; E275-R279 PolarHBondContact O-N 3.19Å; E275-R279 VanDerWaalsContact O-N 3.16Å |
| 276 | L | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.052 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -38.8 | 169.8 | -64.6 | 177.8 | 0 | 0 | 0 | 111.2 | L242 C252 W272 L273 W278 R279 E280 | L242-L276 HydrophobicContact CD1-CD2 4.2Å; C252-L276 HydrophobicContact CB-CD1 3.87Å; C252-L276 HydrophobicContact CB-CD2 4.35Å; W272-L276 HydrophobicContact CE3-CD1 4.1Å; W272-L276 HydrophobicContact CH2-CD1 4.1Å; W272-L276 HydrophobicContact CZ3-CD1 3.76Å; W272-L276 PolarHBondContact O-N 3.43Å; L273-L276 HydrophobicContact CD1-CD1 4.45Å; L273-L276 WeakPolarHBondContact O-CB 3.27Å; L273-L276 PolarHBondContact O-N 2.95Å; L273-L276 VanDerWaalsContact O-N 3.09Å; L276-W278 VanDerWaalsContact C-N 3.3Å; L276-W278 PolarHBondContact O-N 3.39Å; L276-R279 WeakPolarHBondContact O-CB 3.1Å; L276-R279 PolarHBondContact O-N 3.05Å; L276-E280 WeakPolarHBondContact O-CG 3.39Å; L276-E280 PolarHBondContact O-N 2.79Å |
| 277 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68 | -30.9 | 176.2 | -58.9 | 169.5 | 0 | 0 | 0 | 111 | F151 F154 K155 W158 L159 L273 S274 E275 E280 F281 | F151-I277 HydrophobicContact CE2-CB 4.21Å; F151-I277 HydrophobicContact CE2-CG2 3.79Å; F151-I277 HydrophobicContact CZ-CB 4.26Å; F151-I277 HydrophobicContact CZ-CG2 4.11Å; F154-I277 HydrophobicContact CD1-CG2 4.08Å; F154-I277 HydrophobicContact CE1-CG2 3.89Å; K155-I277 HydrophobicContact CB-CG2 4.1Å; K155-I277 HydrophobicContact CG-CD1 3.98Å; K155-I277 HydrophobicContact CG-CG2 4.26Å; W158-I277 HydrophobicContact CD2-CD1 4.41Å; W158-I277 HydrophobicContact CD2-CG1 4.12Å; W158-I277 HydrophobicContact CD2-CG2 4.35Å; W158-I277 HydrophobicContact CE3-CD1 3.62Å; W158-I277 HydrophobicContact CE3-CG1 3.72Å; W158-I277 HydrophobicContact CG-CG2 4.33Å; W158-I277 HydrophobicContact CH2-CG1 4.07Å; W158-I277 HydrophobicContact CZ2-CG1 4.41Å; W158-I277 HydrophobicContact CZ3-CD1 3.68Å; W158-I277 HydrophobicContact CZ3-CG1 3.7Å; L159-I277 HydrophobicContact CD2-CD1 4.15Å; L159-I277 HydrophobicContact CG-CD1 4.16Å; L273-I277 HydrophobicContact CG-CD1 4.09Å; L273-I277 HydrophobicContact CG-CG1 4.47Å; L273-I277 WeakPolarHBondContact O-CG1 3.16Å; L273-I277 PolarHBondContact O-N 3.22Å; S274-I277 PolarHBondContact O-N 2.91Å; E275-I277 VanDerWaalsContact C-N 3.3Å; E275-I277 PolarHBondContact O-N 3.05Å; I277-E280 WeakPolarHBondContact O-CB 3.43Å; I277-E280 PolarHBondContact O-N 3.24Å; I277-F281 WeakPolarHBondContact O-CB 3.37Å; I277-F281 PolarHBondContact O-N 3Å |
| 278 | W | 98.6 | Very high | 98.5 | Very high | 51 Ų | 51 | 21.2 Ų | 21.2 | 19% | 0.193 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 170.4 | -87.7 | 115.1 | 0 | 0 | 0 | 112 | F151 S274 E275 L276 E280 F281 Y282 | F151-W278 HydrophobicContact CB-CE3 4.34Å; F151-W278 HydrophobicContact CB-CH2 3.31Å; F151-W278 HydrophobicContact CB-CZ2 3.6Å; F151-W278 HydrophobicContact CB-CZ3 3.72Å; F151-W278 HydrophobicContact CD1-CD2 4.27Å; F151-W278 AromaticContact CD1-CE2 3.54Å; F151-W278 HydrophobicContact CD1-CH2 4.13Å; F151-W278 AromaticContact CD1-CZ2 3.47Å; F151-W278 HydrophobicContact CD1-CZ2 3.47Å; F151-W278 VanDerWaalsContact CD1-CZ2 3.47Å; F151-W278 AromaticContact CD1-NE1 3.81Å; F151-W278 AromaticContact CD2-CD2 3.47Å; F151-W278 HydrophobicContact CD2-CD2 3.47Å; F151-W278 VanDerWaalsContact CD2-CD2 3.47Å; F151-W278 AromaticContact CD2-CE2 3.64Å; F151-W278 AromaticContact CD2-CE3 3.59Å; F151-W278 HydrophobicContact CD2-CE3 3.59Å; F151-W278 HydrophobicContact CD2-CG 4.06Å; F151-W278 HydrophobicContact CD2-CH2 4.04Å; F151-W278 AromaticContact CD2-CZ2 3.93Å; F151-W278 HydrophobicContact CD2-CZ2 3.93Å; F151-W278 AromaticContact CD2-CZ3 3.88Å; F151-W278 HydrophobicContact CD2-CZ3 3.88Å; F151-W278 HydrophobicContact CE1-CD2 4.32Å; F151-W278 AromaticContact CE1-CE2 3.69Å; F151-W278 HydrophobicContact CE1-CG 4.49Å; F151-W278 HydrophobicContact CE1-CZ2 4.08Å; F151-W278 AromaticContact CE1-NE1 3.46Å; F151-W278 HydrophobicContact CE2-CB 4.22Å; F151-W278 AromaticContact CE2-CD1 3.84Å; F151-W278 AromaticContact CE2-CD2 3.54Å; F151-W278 HydrophobicContact CE2-CD2 3.54Å; F151-W278 AromaticContact CE2-CE2 3.78Å; F151-W278 HydrophobicContact CE2-CE3 4.07Å; F151-W278 AromaticContact CE2-CG 3.59Å; F151-W278 HydrophobicContact CE2-CG 3.59Å; F151-W278 HydrophobicContact CE2-CZ2 4.48Å; F151-W278 AromaticContact CE2-NE1 3.92Å; F151-W278 AromaticContact CG-CD2 3.86Å; F151-W278 HydrophobicContact CG-CD2 3.86Å; F151-W278 AromaticContact CG-CE2 3.51Å; F151-W278 HydrophobicContact CG-CE3 4.02Å; F151-W278 AromaticContact CG-CH2 3.57Å; F151-W278 HydrophobicContact CG-CH2 3.57Å; F151-W278 AromaticContact CG-CZ2 3.37Å; F151-W278 HydrophobicContact CG-CZ2 3.37Å; F151-W278 AromaticContact CG-CZ3 3.89Å; F151-W278 HydrophobicContact CG-CZ3 3.89Å; F151-W278 AromaticContact CZ-CD1 3.58Å; F151-W278 AromaticContact CZ-CD2 3.97Å; F151-W278 HydrophobicContact CZ-CD2 3.97Å; F151-W278 AromaticContact CZ-CE2 3.8Å; F151-W278 AromaticContact CZ-CG 3.83Å; F151-W278 HydrophobicContact CZ-CG 3.83Å; F151-W278 AromaticContact CZ-NE1 3.52Å; S274-W278 PolarHBondContact O-N 3.29Å; E275-W278 WeakPolarHBondContact O-CB 3.45Å; E275-W278 PolarHBondContact O-N 2.69Å; L276-W278 VanDerWaalsContact C-N 3.3Å; L276-W278 PolarHBondContact O-N 3.39Å; W278-E280 VanDerWaalsContact C-N 3.34Å; W278-E280 PolarHBondContact O-N 2.7Å; W278-F281 AromaticContact CE3-CD1 3.82Å; W278-F281 HydrophobicContact CE3-CD1 3.82Å; W278-F281 AromaticContact CZ3-CD1 3.7Å; W278-F281 HydrophobicContact CZ3-CD1 3.7Å; W278-F281 AromaticContact CZ3-CE1 3.99Å; W278-F281 HydrophobicContact CZ3-CE1 3.99Å; W278-F281 PolarHBondContact O-N 2.89Å; W278-Y282 HydrophobicContact CE3-CE1 4.3Å; W278-Y282 AromaticContact CE3-CE2 3.85Å; W278-Y282 HydrophobicContact CE3-CE2 3.85Å; W278-Y282 AromaticContact CE3-CZ 3.68Å; W278-Y282 HydrophobicContact CZ3-CE1 4.25Å; W278-Y282 HydrophobicContact CZ3-CE2 4.49Å; W278-Y282 AromaticContact CZ3-CZ 3.86Å; W278-Y282 WeakPolarHBondContact O-CD2 3.26Å; W278-Y282 PolarHBondContact O-N 2.8Å |
| 279 | R | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 21.2 Ų | 21.2 | 13% | 0.128 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 172.7 | -179 | -178.5 | 174.2 | -76.4 | 2.7 | 111.5 | S132 L242 E275 L276 R283 | S132-R279 PolarHBondContact O-NH1 3.44Å; S132-R279 PolarHBondContact O-NH2 3.02Å; L242-R279 PolarHBondContact O-NH2 2.89Å; L242-R279 VanDerWaalsContact O-NH2 3.12Å; E275-R279 PolarHBondContact O-N 3.19Å; E275-R279 VanDerWaalsContact O-N 3.16Å; L276-R279 WeakPolarHBondContact O-CB 3.1Å; L276-R279 PolarHBondContact O-N 3.05Å; R279-R283 PolarHBondContact O-N 3.39Å |
| 280 | E | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 174.6 | -63.7 | -76.8 | 101.4 | 0 | 0 | 111 | V133 I134 L135 F154 W158 L276 I277 W278 Y282 R283 H284 | V133-E280 WeakPolarHBondContact CA-OE1 3.36Å; V133-E280 VanDerWaalsContact CB-OE1 3.31Å; V133-E280 WeakPolarHBondContact CB-OE1 3.48Å; I134-E280 WeakPolarHBondContact CB-OE2 3.34Å; I134-E280 VanDerWaalsContact N-CD 3.29Å; I134-E280 PolarHBondContact N-OE1 2.6Å; I134-E280 PolarHBondContact N-OE2 3.45Å; L135-E280 PolarHBondContact N-OE2 3.17Å; F154-E280 HydrophobicContact CE1-CB 4.33Å; F154-E280 HydrophobicContact CZ-CB 4.39Å; W158-E280 HydrophobicContact CZ2-CG 4.14Å; W158-E280 PolarHBondContact NE1-OE2 2.74Å; L276-E280 WeakPolarHBondContact O-CG 3.39Å; L276-E280 PolarHBondContact O-N 2.79Å; I277-E280 WeakPolarHBondContact O-CB 3.43Å; I277-E280 PolarHBondContact O-N 3.24Å; W278-E280 VanDerWaalsContact C-N 3.34Å; W278-E280 PolarHBondContact O-N 2.7Å; E280-Y282 PolarHBondContact O-N 3.47Å; E280-R283 PolarHBondContact O-N 3.2Å; E280-H284 WeakPolarHBondContact O-CB 3.07Å; E280-H284 PolarHBondContact O-CD2 3.49Å; E280-H284 PolarHBondContact O-N 2.93Å |
| 281 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.1 | -49.7 | -178.9 | 178 | -115.4 | 0 | 0 | 0 | 111.7 | M147 Y148 F151 F154 I277 W278 R283 H284 L285 | M147-F281 HydrophobicContact CE-CD2 3.74Å; M147-F281 HydrophobicContact CE-CE2 3.87Å; Y148-F281 WeakPolarHBondContact O-CE2 3.41Å; F151-F281 HydrophobicContact CD2-CB 4.04Å; F151-F281 HydrophobicContact CD2-CD1 4.27Å; F151-F281 HydrophobicContact CD2-CG 4.11Å; F151-F281 HydrophobicContact CE2-CB 4.43Å; F154-F281 HydrophobicContact CB-CD2 3.9Å; F154-F281 HydrophobicContact CB-CE2 4.18Å; F154-F281 HydrophobicContact CD1-CB 3.77Å; F154-F281 AromaticContact CD1-CD2 3.67Å; F154-F281 HydrophobicContact CD1-CD2 3.67Å; F154-F281 HydrophobicContact CD1-CG 4.12Å; F154-F281 AromaticContact CD2-CD2 3.99Å; F154-F281 HydrophobicContact CD2-CD2 3.99Å; F154-F281 HydrophobicContact CE1-CB 3.65Å; F154-F281 HydrophobicContact CE1-CD2 4.16Å; F154-F281 HydrophobicContact CE1-CG 4.4Å; F154-F281 HydrophobicContact CE2-CD2 4.43Å; F154-F281 AromaticContact CG-CD2 3.57Å; F154-F281 HydrophobicContact CG-CD2 3.57Å; F154-F281 HydrophobicContact CG-CE2 4.27Å; F154-F281 HydrophobicContact CG-CG 4.45Å; F154-F281 HydrophobicContact CZ-CB 4.32Å; I277-F281 WeakPolarHBondContact O-CB 3.37Å; I277-F281 PolarHBondContact O-N 3Å; W278-F281 AromaticContact CE3-CD1 3.82Å; W278-F281 HydrophobicContact CE3-CD1 3.82Å; W278-F281 AromaticContact CZ3-CD1 3.7Å; W278-F281 HydrophobicContact CZ3-CD1 3.7Å; W278-F281 AromaticContact CZ3-CE1 3.99Å; W278-F281 HydrophobicContact CZ3-CE1 3.99Å; W278-F281 PolarHBondContact O-N 2.89Å; F281-R283 PolarHBondContact O-N 3.42Å; F281-H284 PolarHBondContact O-N 2.97Å; F281-L285 HydrophobicContact CE1-CD2 4.48Å; F281-L285 HydrophobicContact CZ-CD1 4.43Å; F281-L285 WeakPolarHBondContact O-CB 3.13Å; F281-L285 PolarHBondContact O-N 2.74Å |
| 282 | Y | 98.5 | Very high | 98.4 | Very high | 32 Ų | 32 | 24.1 Ų | 24.1 | 13% | 0.125 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65 | -38.8 | -179.7 | -68.2 | -50.2 | 0 | 0 | 0 | 113 | W278 E280 L285 M286 | W278-Y282 HydrophobicContact CE3-CE1 4.3Å; W278-Y282 AromaticContact CE3-CE2 3.85Å; W278-Y282 HydrophobicContact CE3-CE2 3.85Å; W278-Y282 AromaticContact CE3-CZ 3.68Å; W278-Y282 HydrophobicContact CZ3-CE1 4.25Å; W278-Y282 HydrophobicContact CZ3-CE2 4.49Å; W278-Y282 AromaticContact CZ3-CZ 3.86Å; W278-Y282 WeakPolarHBondContact O-CD2 3.26Å; W278-Y282 PolarHBondContact O-N 2.8Å; E280-Y282 PolarHBondContact O-N 3.47Å; Y282-L285 PolarHBondContact O-N 3.2Å; Y282-M286 WeakPolarHBondContact O-CB 3.45Å; Y282-M286 PolarHBondContact O-N 3.06Å |
| 283 | R | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.7 | -74.9 | -176.8 | 169.6 | -88.6 | -0 | 112.2 | Y106 E107 V133 R279 E280 F281 T287 D375 A377 | Y106-R283 HydrophobicContact CD2-CB 4.39Å; E107-R283 IonicContact OE1-NH1 3.96Å; V133-R283 HydrophobicContact CG1-CB 4.11Å; R279-R283 PolarHBondContact O-N 3.39Å; E280-R283 PolarHBondContact O-N 3.2Å; F281-R283 PolarHBondContact O-N 3.42Å; R283-T287 PolarHBondContact O-N 3.41Å; R283-T287 VanDerWaalsContact O-N 3.17Å; R283-T287 PolarHBondContact O-OG1 2.75Å; R283-D375 IonicContact CZ-OD2 3.98Å; R283-D375 IonicContact NE-OD2 3.98Å; R283-D375 IonicContact NH2-OD2 3.49Å; R283-D375 PolarHBondContact NH2-OD2 3.26Å; R283-A377 HydrophobicContact CG-CB 3.89Å |
| 284 | H | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 174.6 | -76.8 | -133.4 | 0 | 0 | 0 | 110.6 | L135 P136 M147 F154 E280 F281 M286 T287 Y288 | L135-H284 PolarHBondContact O-CE1 3.06Å; L135-H284 VanDerWaalsContact O-CE1 3.25Å; L135-H284 PolarHBondContact O-NE2 3.31Å; P136-H284 PolarHBondContact O-CE1 3.31Å; P136-H284 VanDerWaalsContact O-CE1 3.22Å; M147-H284 HydrophobicContact CE-CB 3.43Å; M147-H284 VanDerWaalsContact CE-CB 3.43Å; M147-H284 HydrophobicContact SD-CB 3.8Å; F154-H284 HydrophobicContact CE2-CB 4.33Å; F154-H284 AromaticContact CE2-ND1 3.83Å; F154-H284 HydrophobicContact CZ-CB 4.46Å; E280-H284 WeakPolarHBondContact O-CB 3.07Å; E280-H284 PolarHBondContact O-CD2 3.49Å; E280-H284 PolarHBondContact O-N 2.93Å; F281-H284 PolarHBondContact O-N 2.97Å; H284-M286 PolarHBondContact O-N 3.26Å; H284-T287 WeakPolarHBondContact O-CB 3.48Å; H284-T287 PolarHBondContact O-N 2.51Å; H284-T287 VanDerWaalsContact O-N 3.16Å; H284-Y288 WeakPolarHBondContact O-CD2 3.5Å; H284-Y288 PolarHBondContact O-N 3.39Å |
| 285 | L | 97.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | -178.5 | -169.7 | 75.8 | 0 | 0 | 0 | 111.7 | M147 F281 Y282 T287 Y288 Y289 L292 F298 T391 | M147-L285 HydrophobicContact CE-CB 4.36Å; M147-L285 HydrophobicContact CG-CD1 4.22Å; F281-L285 HydrophobicContact CE1-CD2 4.48Å; F281-L285 HydrophobicContact CZ-CD1 4.43Å; F281-L285 WeakPolarHBondContact O-CB 3.13Å; F281-L285 PolarHBondContact O-N 2.74Å; Y282-L285 PolarHBondContact O-N 3.2Å; L285-T287 PolarHBondContact O-N 3.12Å; L285-Y288 PolarHBondContact O-N 3.47Å; L285-Y289 HydrophobicContact CD1-CD2 3.53Å; L285-Y289 HydrophobicContact CD1-CE2 3.67Å; L285-Y289 HydrophobicContact CG-CD2 3.97Å; L285-Y289 WeakPolarHBondContact O-CB 3.44Å; L285-Y289 WeakPolarHBondContact O-CD2 3.48Å; L285-Y289 PolarHBondContact O-N 3.41Å; L285-L292 HydrophobicContact CD2-CD1 3.79Å; L285-L292 HydrophobicContact CG-CD1 3.86Å; L285-F298 HydrophobicContact CD1-CE2 4.31Å; L285-T391 HydrophobicContact CD1-CG2 3.8Å; L285-T391 HydrophobicContact CD2-CG2 3.58Å; L285-T391 WeakPolarHBondContact CD2-OG1 3.47Å; L285-T391 HydrophobicContact CG-CG2 4.29Å |
| 286 | M | 96.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -33.1 | 177.6 | -174.3 | 173.4 | 69 | 0 | 0 | 112.6 | E107 Y282 H284 Y289 C293 L376 A377 | E107-M286 HydrophobicContact CB-CE 4.44Å; E107-M286 HydrophobicContact CG-CE 3.7Å; E107-M286 HydrophobicContact CG-SD 4.38Å; Y282-M286 WeakPolarHBondContact O-CB 3.45Å; Y282-M286 PolarHBondContact O-N 3.06Å; H284-M286 PolarHBondContact O-N 3.26Å; M286-Y289 CarbonylContact O-C 3.55Å; M286-C293 WeakPolarHBondContact CG-SG 3.46Å; M286-C293 PolarHBondContact SD-SG 2.96Å; M286-L376 HydrophobicContact SD-CB 4.36Å; M286-L376 HydrophobicContact SD-CD2 3.91Å; M286-L376 HydrophobicContact SD-CG 3.9Å; M286-A377 HydrophobicContact CE-CB 3.79Å; M286-A377 HydrophobicContact SD-CB 4.11Å |
| 287 | T | 98.3 | Very high | 98 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | P137 R283 H284 L285 | P137-T287 HydrophobicContact CB-CG2 3.77Å; P137-T287 HydrophobicContact CG-CG2 4.16Å; R283-T287 PolarHBondContact O-N 3.41Å; R283-T287 VanDerWaalsContact O-N 3.17Å; R283-T287 PolarHBondContact O-OG1 2.75Å; H284-T287 WeakPolarHBondContact O-CB 3.48Å; H284-T287 PolarHBondContact O-N 2.51Å; H284-T287 VanDerWaalsContact O-N 3.16Å; L285-T287 PolarHBondContact O-N 3.12Å |
| 288 | Y | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 37.8 Ų | 37.8 | 35% | 0.353 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -87.2 | -20.3 | -179.3 | -78.7 | -82.8 | 0 | 0 | 0 | 114.2 | P137 G138 M141 M147 H284 L285 P290 | P137-Y288 HydrophobicContact CB-CE2 4.13Å; G138-Y288 WeakPolarHBondContact CA-OH 3.4Å; G138-Y288 PolarHBondContact N-OH 2.67Å; M141-Y288 HydrophobicContact CE-CD1 4.49Å; M141-Y288 HydrophobicContact CE-CE1 3.67Å; M141-Y288 HydrophobicContact CE-CE2 4.43Å; M141-Y288 HydrophobicContact SD-CE1 4.36Å; M141-Y288 HydrophobicContact SD-CE2 4.06Å; M147-Y288 HydrophobicContact CB-CD1 4.23Å; M147-Y288 HydrophobicContact CB-CD2 3.68Å; M147-Y288 HydrophobicContact CB-CE2 4.42Å; M147-Y288 HydrophobicContact CB-CG 3.57Å; M147-Y288 HydrophobicContact CG-CD2 3.95Å; M147-Y288 HydrophobicContact CG-CG 4.2Å; M147-Y288 HydrophobicContact SD-CD2 4.27Å; H284-Y288 WeakPolarHBondContact O-CD2 3.5Å; H284-Y288 PolarHBondContact O-N 3.39Å; L285-Y288 PolarHBondContact O-N 3.47Å; Y288-P290 VanDerWaalsContact C-CD 3.48Å; Y288-P290 WeakPolarHBondContact O-CD 3.41Å |
| 289 | Y | 98 | Very high | 97.9 | Very high | 51 Ų | 51 | 37.9 Ų | 37.9 | 20% | 0.2 | 19% | 0.188 | C | C | . | . | trans | -122.8 | 73.9 | 176.8 | -60.6 | -77.2 | 0 | 0 | 0 | 110.6 | M147 K149 L285 M286 S291 L292 F298 | M147-Y289 HydrophobicContact CB-CE2 4.17Å; M147-Y289 HydrophobicContact CG-CE2 4.28Å; K149-Y289 WeakPolarHBondContact CE-OH 3.32Å; L285-Y289 HydrophobicContact CD1-CD2 3.53Å; L285-Y289 HydrophobicContact CD1-CE2 3.67Å; L285-Y289 HydrophobicContact CG-CD2 3.97Å; L285-Y289 WeakPolarHBondContact O-CB 3.44Å; L285-Y289 WeakPolarHBondContact O-CD2 3.48Å; L285-Y289 PolarHBondContact O-N 3.41Å; M286-Y289 CarbonylContact O-C 3.55Å; Y289-S291 PolarHBondContact O-N 2.86Å; Y289-L292 WeakPolarHBondContact O-CB 3.49Å; Y289-L292 WeakPolarHBondContact O-CG 3.5Å; Y289-L292 PolarHBondContact O-N 3.09Å; Y289-F298 AromaticContact CD1-CE2 3.94Å; Y289-F298 HydrophobicContact CD1-CE2 3.94Å; Y289-F298 AromaticContact CD2-CE2 3.76Å; Y289-F298 HydrophobicContact CD2-CE2 3.76Å; Y289-F298 HydrophobicContact CE1-CE2 4.1Å; Y289-F298 HydrophobicContact CE1-CZ 4.4Å; Y289-F298 AromaticContact CE2-CE2 3.89Å; Y289-F298 HydrophobicContact CE2-CE2 3.89Å; Y289-F298 HydrophobicContact CE2-CZ 4.29Å; Y289-F298 HydrophobicContact CG-CD2 4.47Å; Y289-F298 AromaticContact CG-CE2 3.79Å; Y289-F298 HydrophobicContact CG-CE2 3.79Å | ||
| 290 | P | 98.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 40 Ų | 40 | 38% | 0.377 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -63.5 | -14.1 | -174.8 | -21.9 | 33.7 | 0 | 0 | 0 | 114.4 | V108 Y288 L292 C293 | V108-P290 HydrophobicContact CG2-CB 3.6Å; V108-P290 WeakPolarHBondContact CG2-O 3.49Å; Y288-P290 VanDerWaalsContact C-CD 3.48Å; Y288-P290 WeakPolarHBondContact O-CD 3.41Å; P290-L292 PolarHBondContact O-N 3.02Å; P290-C293 PolarHBondContact O-N 3.4Å |
| 291 | S | 97.8 | Very high | 97.8 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -62.7 | -24.1 | 171.5 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | Y289 C293 K294 C296 | Y289-S291 PolarHBondContact O-N 2.86Å; S291-C293 PolarHBondContact O-N 3.4Å; S291-K294 WeakPolarHBondContact O-CA 3.29Å; S291-K294 PolarHBondContact O-N 3.36Å; S291-C296 WeakPolarHBondContact O-CB 3.41Å; S291-C296 PolarHBondContact O-N 2.83Å |
| 292 | L | 97.9 | Very high | 97.7 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -62.9 | -29.8 | 174.9 | -64.8 | 176.4 | 0 | 0 | 0 | 112.1 | L285 Y289 P290 K294 F298 Q384 | L285-L292 HydrophobicContact CD2-CD1 3.79Å; L285-L292 HydrophobicContact CG-CD1 3.86Å; Y289-L292 WeakPolarHBondContact O-CB 3.49Å; Y289-L292 WeakPolarHBondContact O-CG 3.5Å; Y289-L292 PolarHBondContact O-N 3.09Å; P290-L292 PolarHBondContact O-N 3.02Å; L292-K294 PolarHBondContact O-N 2.75Å; L292-F298 HydrophobicContact CD1-CD2 4.47Å; L292-F298 HydrophobicContact CD2-CB 4.18Å; L292-F298 HydrophobicContact CD2-CD2 4.27Å; L292-Q384 VanDerWaalsContact CD2-NE2 3.3Å |
| 293 | C | 98.1 | Very high | 97.7 | Very high | 22 Ų | 22 | 49 Ų | 49 | 15% | 0.149 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -75.8 | -5.9 | 171.9 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | V108 M286 P290 S291 L376 | V108-C293 HydrophobicContact CB-CB 3.86Å; V108-C293 HydrophobicContact CG2-CB 3.61Å; M286-C293 WeakPolarHBondContact CG-SG 3.46Å; M286-C293 PolarHBondContact SD-SG 2.96Å; P290-C293 PolarHBondContact O-N 3.4Å; S291-C293 PolarHBondContact O-N 3.4Å; C293-L376 HydrophobicContact CB-CD2 3.98Å |
| 294 | K | 97.7 | Very high | 97.6 | Very high | 129 Ų | 129 | 57.7 Ų | 57.7 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -116.4 | 28.7 | -170.8 | -57.5 | -179.1 | -177.6 | -179.4 | 0 | 112 | S291 L292 C296 | S291-K294 WeakPolarHBondContact O-CA 3.29Å; S291-K294 PolarHBondContact O-N 3.36Å; L292-K294 PolarHBondContact O-N 2.75Å; K294-C296 PolarHBondContact O-N 2.98Å; K294-C296 VanDerWaalsContact O-N 3.11Å |
| 295 | H | 95.4 | Very high | 97.6 | Very high | 105 Ų | 105 | 59.6 Ų | 59.6 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 21.1 | -178.6 | -47.8 | -64 | 0 | 0 | 0 | 114.4 | R361 E364 | H295-R361 VanDerWaalsContact O-CZ 3.28Å; H295-R361 PolarHBondContact O-NE 3.35Å; H295-R361 PolarHBondContact O-NH2 3.08Å; H295-E364 IonicContact ND1-OE2 2.74Å |
| 296 | C | 97.5 | Very high | 97.7 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 33% | 0.331 | 33% | 0.331 | S | S | . | . | trans | -86.1 | 138.7 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | S291 K294 Q384 | S291-C296 WeakPolarHBondContact O-CB 3.41Å; S291-C296 PolarHBondContact O-N 2.83Å; K294-C296 PolarHBondContact O-N 2.98Å; K294-C296 VanDerWaalsContact O-N 3.11Å; C296-Q384 PolarHBondContact O-NE2 2.79Å | ||
| 297 | P | 97.9 | Very high | 97.7 | Very high | 11 Ų | 11 | 69.2 Ų | 69.2 | 7% | 0.071 | 34% | 0.34 | C | S | . | . | trans | -71.3 | 155.5 | 170.1 | 34.7 | -33 | 0 | 0 | 0 | 109.5 | T302 D303 W360 | P297-T302 WeakPolarHBondContact CB-OG1 3.31Å; P297-D303 WeakPolarHBondContact CD-OD1 3.41Å; P297-D303 WeakPolarHBondContact CD-OD2 3.4Å; P297-D303 HydrophobicContact CG-CB 4.33Å; P297-D303 VanDerWaalsContact CG-CG 3.44Å; P297-D303 WeakPolarHBondContact CG-OD1 3.21Å; P297-D303 WeakPolarHBondContact CG-OD2 3.45Å; P297-W360 HydrophobicContact CB-CZ2 4.37Å | ||
| 298 | F | 97.7 | Very high | 97.8 | Very high | 55 Ų | 55 | 72.3 Ų | 72.3 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -70.9 | -40 | 171 | -166.4 | -90.2 | 0 | 0 | 0 | 111.6 | K149 L285 Y289 L292 A300 T389 T391 | K149-F298 HydrophobicContact CB-CZ 4.45Å; K149-F298 HydrophobicContact CD-CE1 4.39Å; K149-F298 HydrophobicContact CD-CZ 4.02Å; K149-F298 HydrophobicContact CG-CZ 3.97Å; L285-F298 HydrophobicContact CD1-CE2 4.31Å; Y289-F298 AromaticContact CD1-CE2 3.94Å; Y289-F298 HydrophobicContact CD1-CE2 3.94Å; Y289-F298 AromaticContact CD2-CE2 3.76Å; Y289-F298 HydrophobicContact CD2-CE2 3.76Å; Y289-F298 HydrophobicContact CE1-CE2 4.1Å; Y289-F298 HydrophobicContact CE1-CZ 4.4Å; Y289-F298 AromaticContact CE2-CE2 3.89Å; Y289-F298 HydrophobicContact CE2-CE2 3.89Å; Y289-F298 HydrophobicContact CE2-CZ 4.29Å; Y289-F298 HydrophobicContact CG-CD2 4.47Å; Y289-F298 AromaticContact CG-CE2 3.79Å; Y289-F298 HydrophobicContact CG-CE2 3.79Å; L292-F298 HydrophobicContact CD1-CD2 4.47Å; L292-F298 HydrophobicContact CD2-CB 4.18Å; L292-F298 HydrophobicContact CD2-CD2 4.27Å; F298-A300 PolarHBondContact O-N 3.23Å; F298-T389 WeakPolarHBondContact CB-O 3.18Å; F298-T389 PolarHBondContact N-O 3Å; F298-T391 HydrophobicContact CD1-CG2 3.57Å; F298-T391 HydrophobicContact CD2-CG2 3.57Å; F298-T391 HydrophobicContact CE1-CG2 3.49Å; F298-T391 VanDerWaalsContact CE1-CG2 3.49Å; F298-T391 HydrophobicContact CE2-CG2 3.47Å; F298-T391 VanDerWaalsContact CE2-CG2 3.47Å; F298-T391 HydrophobicContact CG-CG2 3.62Å; F298-T391 HydrophobicContact CZ-CG2 3.43Å; F298-T391 VanDerWaalsContact CZ-CG2 3.43Å |
| 299 | I | 97.4 | Very high | 97.7 | Very high | 53 Ų | 53 | 73.8 Ų | 73.8 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -92.1 | 97.7 | -179.1 | -59.7 | 176 | 0 | 0 | 0 | 109.4 | W301 T302 T389 G390 | I299-W301 VanDerWaalsContact C-N 3.28Å; I299-W301 HydrophobicContact CG2-CG 4.16Å; I299-W301 PolarHBondContact O-N 3.12Å; I299-T302 HydrophobicContact CB-CG2 4.15Å; I299-T302 HydrophobicContact CG2-CG2 3.98Å; I299-T302 PolarHBondContact O-N 3.49Å; I299-T302 PolarHBondContact O-OG1 2.88Å; I299-T389 WeakPolarHBondContact CG1-O 3.35Å; I299-T389 PolarHBondContact N-O 3.21Å; I299-G390 WeakPolarHBondContact CD1-O 3.47Å |
| 300 | A | 96.7 | Very high | 97.8 | Very high | 79 Ų | 79 | 73.5 Ų | 73.5 | 65% | 0.653 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -55.1 | -31.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F298 T302 D303 | F298-A300 PolarHBondContact O-N 3.23Å; A300-T302 PolarHBondContact O-N 3.25Å; A300-D303 PolarHBondContact O-N 2.85Å |
| 301 | W | 97.5 | Very high | 97.8 | Very high | 132 Ų | 132 | 75.4 Ų | 75.4 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -68.5 | -22.2 | -178.8 | 72.5 | -101.2 | 0 | 0 | 0 | 112.8 | I299 D303 R304 V305 | I299-W301 VanDerWaalsContact C-N 3.28Å; I299-W301 HydrophobicContact CG2-CG 4.16Å; I299-W301 PolarHBondContact O-N 3.12Å; W301-D303 PolarHBondContact O-N 2.67Å; W301-R304 VanDerWaalsContact O-CB 3.27Å; W301-R304 WeakPolarHBondContact O-CB 3.25Å; W301-R304 WeakPolarHBondContact O-CG 3.37Å; W301-R304 PolarHBondContact O-N 2.99Å; W301-V305 HydrophobicContact CZ3-CG2 4.1Å |
| 302 | T | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -71 | -17.1 | -176.8 | 63.2 | 0 | 0 | 0 | 0 | 113 | P297 I299 A300 R304 V305 T389 | P297-T302 WeakPolarHBondContact CB-OG1 3.31Å; I299-T302 HydrophobicContact CB-CG2 4.15Å; I299-T302 HydrophobicContact CG2-CG2 3.98Å; I299-T302 PolarHBondContact O-N 3.49Å; I299-T302 PolarHBondContact O-OG1 2.88Å; A300-T302 PolarHBondContact O-N 3.25Å; T302-R304 PolarHBondContact O-N 2.64Å; T302-R304 VanDerWaalsContact O-N 3.15Å; T302-V305 WeakPolarHBondContact O-CB 2.97Å; T302-V305 WeakPolarHBondContact O-CG2 3.39Å; T302-V305 PolarHBondContact O-N 2.67Å; T302-V305 VanDerWaalsContact O-N 3.13Å; T302-T389 HydrophobicContact CG2-CG2 3.98Å; T302-T389 VanDerWaalsContact OG1-CG2 3.28Å; T302-T389 WeakPolarHBondContact OG1-CG2 3.38Å |
| 303 | D | 96.9 | Very high | 97.9 | Very high | 87 Ų | 87 | 79.4 Ų | 79.4 | 47% | 0.465 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -65.1 | -10.7 | 168.9 | -91.6 | -14.9 | 0 | 0 | 0 | 113 | P297 A300 W301 R361 | P297-D303 WeakPolarHBondContact CD-OD1 3.41Å; P297-D303 WeakPolarHBondContact CD-OD2 3.4Å; P297-D303 HydrophobicContact CG-CB 4.33Å; P297-D303 VanDerWaalsContact CG-CG 3.44Å; P297-D303 WeakPolarHBondContact CG-OD1 3.21Å; P297-D303 WeakPolarHBondContact CG-OD2 3.45Å; A300-D303 PolarHBondContact O-N 2.85Å; W301-D303 PolarHBondContact O-N 2.67Å; D303-R361 IonicContact OD1-CZ 3.85Å; D303-R361 IonicContact OD1-NH1 3.02Å; D303-R361 IonicContact OD1-NH2 2.7Å; D303-R361 PolarHBondContact OD1-NH2 3.14Å |
| 304 | R | 98 | Very high | 97.9 | Very high | 195 Ų | 195 | 79.5 Ų | 79.5 | 74% | 0.736 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -90.9 | -7.8 | 175.9 | -55.3 | 174.6 | -177 | 169.3 | -0.3 | 112.9 | W301 T302 Q306 | W301-R304 VanDerWaalsContact O-CB 3.27Å; W301-R304 WeakPolarHBondContact O-CB 3.25Å; W301-R304 WeakPolarHBondContact O-CG 3.37Å; W301-R304 PolarHBondContact O-N 2.99Å; T302-R304 PolarHBondContact O-N 2.64Å; T302-R304 VanDerWaalsContact O-N 3.15Å; R304-Q306 PolarHBondContact O-N 3.05Å; R304-Q306 PolarHBondContact O-NE2 3.15Å |
| 305 | V | 98.2 | Very high | 98 | Very high | 40 Ų | 40 | 78.4 Ų | 78.4 | 24% | 0.242 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -60.9 | 129.8 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | W301 T302 W307 L357 | W301-V305 HydrophobicContact CZ3-CG2 4.1Å; T302-V305 WeakPolarHBondContact O-CB 2.97Å; T302-V305 WeakPolarHBondContact O-CG2 3.39Å; T302-V305 PolarHBondContact O-N 2.67Å; T302-V305 VanDerWaalsContact O-N 3.13Å; V305-W307 HydrophobicContact CB-CD2 4.22Å; V305-W307 HydrophobicContact CB-CH2 4.02Å; V305-W307 HydrophobicContact CB-CZ2 3.66Å; V305-W307 HydrophobicContact CB-CZ3 4.43Å; V305-W307 HydrophobicContact CG1-CD2 3.78Å; V305-W307 HydrophobicContact CG1-CE3 3.67Å; V305-W307 HydrophobicContact CG1-CH2 3.7Å; V305-W307 HydrophobicContact CG1-CZ2 3.79Å; V305-W307 HydrophobicContact CG1-CZ3 3.63Å; V305-W307 HydrophobicContact CG2-CH2 4.37Å; V305-W307 HydrophobicContact CG2-CZ2 4.22Å; V305-W307 PolarHBondContact O-N 3.34Å; V305-W307 VanDerWaalsContact O-N 3.09Å; V305-L357 HydrophobicContact CG1-CD1 4.22Å |
| 306 | Q | 98.6 | Very high | 98.1 | Very high | 159 Ų | 159 | 74.9 Ų | 74.9 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | trans | -83.3 | 85.5 | 178.9 | -59.8 | -58.2 | -63.8 | 0 | 0 | 109 | R304 | R304-Q306 PolarHBondContact O-N 3.05Å; R304-Q306 PolarHBondContact O-NE2 3.15Å | ||
| 307 | W | 98.5 | Very high | 98.2 | Very high | 55 Ų | 55 | 72.5 Ų | 72.5 | 21% | 0.208 | 38% | 0.383 | C | S | . | . | trans | -64.1 | 144.5 | 177.6 | -52.6 | 114 | 0 | 0 | 0 | 111.5 | V305 S309 V353 L357 D359 | V305-W307 HydrophobicContact CB-CD2 4.22Å; V305-W307 HydrophobicContact CB-CH2 4.02Å; V305-W307 HydrophobicContact CB-CZ2 3.66Å; V305-W307 HydrophobicContact CB-CZ3 4.43Å; V305-W307 HydrophobicContact CG1-CD2 3.78Å; V305-W307 HydrophobicContact CG1-CE3 3.67Å; V305-W307 HydrophobicContact CG1-CH2 3.7Å; V305-W307 HydrophobicContact CG1-CZ2 3.79Å; V305-W307 HydrophobicContact CG1-CZ3 3.63Å; V305-W307 HydrophobicContact CG2-CH2 4.37Å; V305-W307 HydrophobicContact CG2-CZ2 4.22Å; V305-W307 PolarHBondContact O-N 3.34Å; V305-W307 VanDerWaalsContact O-N 3.09Å; W307-S309 PolarHBondContact O-N 3.37Å; W307-V353 HydrophobicContact CH2-CG1 3.88Å; W307-V353 HydrophobicContact CZ3-CG1 3.62Å; W307-L357 CarbonylContact C-O 3.27Å; W307-L357 WeakPolarHBondContact CA-O 3.3Å; W307-L357 HydrophobicContact CE3-CD1 4.02Å; W307-L357 HydrophobicContact CE3-CG 4.43Å; W307-L357 HydrophobicContact CZ3-CD1 4.05Å; W307-D359 HydrophobicContact CB-CB 4.04Å; W307-D359 HydrophobicContact CD2-CB 4.25Å; W307-D359 HydrophobicContact CG-CB 3.78Å | ||
| 308 | Q | 98.4 | Very high | 98.2 | Very high | 86 Ų | 86 | 74.3 Ų | 74.3 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | trans | -75.1 | 122.4 | 174.4 | -74.2 | -173.3 | 35.7 | 0 | 0 | 110.8 | N310 L357 | Q308-N310 PolarHBondContact O-N 2.79Å; Q308-L357 HydrophobicContact CG-CB 4.07Å; Q308-L357 HydrophobicContact CG-CD2 4.29Å; Q308-L357 HydrophobicContact CG-CG 4.44Å; Q308-L357 PolarHBondContact N-O 3.16Å | ||
| 309 | S | 98.1 | Very high | 98.3 | Very high | 121 Ų | 121 | 75.2 Ų | 75.2 | 85% | 0.846 | 40% | 0.395 | S | S | * | . | trans | -84.5 | 82.2 | 165.2 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | W307 | W307-S309 PolarHBondContact O-N 3.37Š| ||
| 310 | N | 98.6 | Very high | 98.4 | Very high | 45 Ų | 45 | 72.7 Ų | 72.7 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | trans | -126.4 | 91.8 | -179.2 | -169.4 | -31.6 | 0 | 0 | 0 | 111.5 | Q308 A312 H313 L314 | Q308-N310 PolarHBondContact O-N 2.79Å; N310-A312 VanDerWaalsContact C-N 3.29Å; N310-A312 PolarHBondContact O-N 2.85Å; N310-A312 PolarHBondContact OD1-N 2.8Å; N310-H313 HydrophobicContact CB-CB 4.07Å; N310-H313 PolarHBondContact ND2-CD2 2.88Å; N310-H313 PolarHBondContact ND2-CE1 2.5Å; N310-H313 VanDerWaalsContact ND2-CG 3.3Å; N310-H313 PolarHBondContact ND2-ND1 3.27Å; N310-H313 VanDerWaalsContact ND2-ND1 3.19Å; N310-H313 PolarHBondContact ND2-NE2 2.97Å; N310-H313 PolarHBondContact O-N 3.17Å; N310-H313 PolarHBondContact OD1-N 3.17Å; N310-L314 PolarHBondContact O-N 3.26Å; N310-L314 VanDerWaalsContact O-N 3.12Å | ||
| 311 | P | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 75.2 Ų | 75.2 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.4 | -35.1 | -178.2 | -25.5 | 35 | 0 | 0 | 0 | 113.8 | L314 Q315 | P311-L314 PolarHBondContact O-N 3.44Å; P311-Q315 WeakPolarHBondContact O-CB 3.34Å; P311-Q315 PolarHBondContact O-N 2.84Å |
| 312 | A | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 70.4 Ų | 70.4 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N310 Q315 A316 | N310-A312 VanDerWaalsContact C-N 3.29Å; N310-A312 PolarHBondContact O-N 2.85Å; N310-A312 PolarHBondContact OD1-N 2.8Å; A312-Q315 PolarHBondContact O-N 3.31Å; A312-A316 WeakPolarHBondContact O-CB 3.04Å; A312-A316 PolarHBondContact O-N 3.49Å |
| 313 | H | 98.8 | Very high | 98.5 | Very high | 79 Ų | 79 | 71.7 Ų | 71.7 | 37% | 0.366 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 175.8 | -73.2 | -170 | 0 | 0 | 0 | 111.9 | N310 A316 W317 L356 I358 | N310-H313 HydrophobicContact CB-CB 4.07Å; N310-H313 PolarHBondContact ND2-CD2 2.88Å; N310-H313 PolarHBondContact ND2-CE1 2.5Å; N310-H313 VanDerWaalsContact ND2-CG 3.3Å; N310-H313 PolarHBondContact ND2-ND1 3.27Å; N310-H313 VanDerWaalsContact ND2-ND1 3.19Å; N310-H313 PolarHBondContact ND2-NE2 2.97Å; N310-H313 PolarHBondContact O-N 3.17Å; N310-H313 PolarHBondContact OD1-N 3.17Å; H313-A316 PolarHBondContact O-N 2.93Å; H313-W317 PolarHBondContact O-N 3.3Å; H313-L356 HydrophobicContact CB-CD1 4.4Å; H313-I358 HydrophobicContact CB-CD1 3.88Å |
| 314 | L | 98.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 72 Ų | 72 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 175.6 | 179.1 | 57.8 | 0 | 0 | 0 | 110.9 | N310 P311 A316 W317 Q318 L352 I358 E362 | N310-L314 PolarHBondContact O-N 3.26Å; N310-L314 VanDerWaalsContact O-N 3.12Å; P311-L314 PolarHBondContact O-N 3.44Å; L314-A316 PolarHBondContact O-N 2.92Å; L314-W317 HydrophobicContact CD1-CE3 4.13Å; L314-W317 PolarHBondContact O-N 3.32Å; L314-Q318 HydrophobicContact CD1-CG 4.2Å; L314-Q318 HydrophobicContact CG-CG 4.41Å; L314-Q318 VanDerWaalsContact O-CG 3.31Å; L314-Q318 WeakPolarHBondContact O-CG 3.44Å; L314-Q318 PolarHBondContact O-N 3.48Å; L314-L352 HydrophobicContact CD1-CD1 4.04Å; L314-I358 HydrophobicContact CB-CD1 3.96Å; L314-I358 HydrophobicContact CD1-CG2 4.38Å; L314-E362 HydrophobicContact CD1-CB 4.23Å; L314-E362 HydrophobicContact CD2-CB 4.13Å; L314-E362 HydrophobicContact CD2-CG 4.35Å |
| 315 | Q | 98.9 | Very high | 98.6 | Very high | 105 Ų | 105 | 63 Ų | 63 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 178.3 | -175.9 | 177.4 | 0.8 | 0 | 0 | 112 | P311 A312 W317 Q318 E319 | P311-Q315 WeakPolarHBondContact O-CB 3.34Å; P311-Q315 PolarHBondContact O-N 2.84Å; A312-Q315 PolarHBondContact O-N 3.31Å; Q315-W317 VanDerWaalsContact C-N 3.29Å; Q315-W317 PolarHBondContact O-N 3.33Å; Q315-Q318 PolarHBondContact O-N 3.23Å; Q315-E319 HydrophobicContact CG-CG 4.33Å; Q315-E319 VanDerWaalsContact CG-OE1 3.29Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.34Å; Q315-E319 PolarHBondContact NE2-OE1 3.19Å; Q315-E319 WeakPolarHBondContact O-CB 3.3Å; Q315-E319 WeakPolarHBondContact O-CG 3.27Å; Q315-E319 PolarHBondContact O-N 3.27Å |
| 316 | A | 98.9 | Very high | 98.6 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 26% | 0.256 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A312 H313 L314 G320 K321 | A312-A316 WeakPolarHBondContact O-CB 3.04Å; A312-A316 PolarHBondContact O-N 3.49Å; H313-A316 PolarHBondContact O-N 2.93Å; L314-A316 PolarHBondContact O-N 2.92Å; A316-G320 PolarHBondContact O-N 3.11Å; A316-K321 PolarHBondContact O-N 3.01Å |
| 317 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -49.6 | 172.8 | 175.4 | 86.1 | 0 | 0 | 0 | 111.5 | H313 L314 Q315 E319 G320 T322 M331 T348 L352 L356 Y366 F367 W383 | H313-W317 PolarHBondContact O-N 3.3Å; L314-W317 HydrophobicContact CD1-CE3 4.13Å; L314-W317 PolarHBondContact O-N 3.32Å; Q315-W317 VanDerWaalsContact C-N 3.29Å; Q315-W317 PolarHBondContact O-N 3.33Å; W317-E319 VanDerWaalsContact C-N 3.28Å; W317-E319 PolarHBondContact O-N 3.07Å; W317-G320 PolarHBondContact O-N 3.46Å; W317-G320 VanDerWaalsContact O-N 3.12Å; W317-T322 HydrophobicContact CB-CG2 4.25Å; W317-M331 HydrophobicContact CD2-CE 3.88Å; W317-M331 HydrophobicContact CD2-SD 4.36Å; W317-M331 HydrophobicContact CE3-CE 3.89Å; W317-M331 HydrophobicContact CH2-CE 3.74Å; W317-M331 HydrophobicContact CH2-SD 4.34Å; W317-M331 HydrophobicContact CZ2-CE 3.74Å; W317-M331 HydrophobicContact CZ2-SD 3.77Å; W317-M331 HydrophobicContact CZ3-CE 3.82Å; W317-M331 WeakPolarHBondContact O-CE 3.25Å; W317-M331 VanDerWaalsContact O-CG 3.28Å; W317-M331 WeakPolarHBondContact O-CG 3.43Å; W317-T348 PolarHBondContact NE1-O 3.02Å; W317-L352 HydrophobicContact CB-CD1 4.2Å; W317-L352 HydrophobicContact CD2-CB 4.34Å; W317-L352 HydrophobicContact CD2-CD1 3.87Å; W317-L352 HydrophobicContact CD2-CD2 4.26Å; W317-L352 HydrophobicContact CD2-CG 4.39Å; W317-L352 HydrophobicContact CE3-CD1 4.11Å; W317-L352 HydrophobicContact CE3-CD2 4.18Å; W317-L352 HydrophobicContact CG-CB 4.48Å; W317-L352 HydrophobicContact CG-CD1 3.89Å; W317-L352 HydrophobicContact CH2-CD2 4.09Å; W317-L352 HydrophobicContact CZ2-CB 4.43Å; W317-L352 HydrophobicContact CZ2-CD2 4.15Å; W317-L352 HydrophobicContact CZ3-CD2 4.1Å; W317-L356 HydrophobicContact CB-CD1 4.08Å; W317-Y366 HydrophobicContact CE3-CD1 4.45Å; W317-Y366 AromaticContact CH2-CD1 3.91Å; W317-Y366 HydrophobicContact CH2-CD1 3.91Å; W317-Y366 AromaticContact CZ3-CD1 3.51Å; W317-Y366 HydrophobicContact CZ3-CD1 3.51Å; W317-Y366 HydrophobicContact CZ3-CE1 4.3Å; W317-Y366 AromaticContact CZ3-CG 3.93Å; W317-Y366 HydrophobicContact CZ3-CG 3.93Å; W317-F367 AromaticContact CH2-CD1 3.93Å; W317-F367 HydrophobicContact CH2-CD1 3.93Å; W317-F367 AromaticContact CH2-CE1 3.77Å; W317-F367 HydrophobicContact CH2-CE1 3.77Å; W317-F367 HydrophobicContact CZ2-CD1 4.43Å; W317-F367 AromaticContact CZ2-CE1 3.82Å; W317-F367 HydrophobicContact CZ2-CE1 3.82Å; W317-W383 AromaticContact CH2-CH2 3.84Å; W317-W383 HydrophobicContact CH2-CH2 3.84Å; W317-W383 AromaticContact CH2-CZ2 3.98Å; W317-W383 HydrophobicContact CH2-CZ2 3.98Å; W317-W383 AromaticContact CZ2-CH2 3.75Å; W317-W383 HydrophobicContact CZ2-CH2 3.75Å; W317-W383 HydrophobicContact CZ2-CZ2 4.15Å |
| 318 | Q | 98.9 | Very high | 98.7 | Very high | 49 Ų | 49 | 51.7 Ų | 51.7 | 23% | 0.229 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.1 | -42 | 178.8 | -72 | 177.5 | -12.7 | 0 | 0 | 112 | L314 Q315 N335 Y366 | L314-Q318 HydrophobicContact CD1-CG 4.2Å; L314-Q318 HydrophobicContact CG-CG 4.41Å; L314-Q318 VanDerWaalsContact O-CG 3.31Å; L314-Q318 WeakPolarHBondContact O-CG 3.44Å; L314-Q318 PolarHBondContact O-N 3.48Å; Q315-Q318 PolarHBondContact O-N 3.23Å; Q318-N335 PolarHBondContact O-ND2 2.95Å; Q318-Y366 HydrophobicContact CB-CD2 4.31Å; Q318-Y366 HydrophobicContact CB-CE1 4.09Å; Q318-Y366 HydrophobicContact CB-CE2 3.76Å; Q318-Y366 HydrophobicContact CG-CD1 4.05Å; Q318-Y366 HydrophobicContact CG-CD2 3.6Å; Q318-Y366 HydrophobicContact CG-CE1 4.04Å; Q318-Y366 HydrophobicContact CG-CE2 3.58Å; Q318-Y366 HydrophobicContact CG-CG 3.83Å; Q318-Y366 PolarHBondContact O-OH 2.76Å; Q318-Y366 VanDerWaalsContact O-OH 3.05Å |
| 319 | E | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -82.3 | -7.5 | -178.2 | -66.6 | -178 | -165.6 | 0 | 0 | 114.4 | Q315 W317 K321 | Q315-E319 HydrophobicContact CG-CG 4.33Å; Q315-E319 VanDerWaalsContact CG-OE1 3.29Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.34Å; Q315-E319 PolarHBondContact NE2-OE1 3.19Å; Q315-E319 WeakPolarHBondContact O-CB 3.3Å; Q315-E319 WeakPolarHBondContact O-CG 3.27Å; Q315-E319 PolarHBondContact O-N 3.27Å; W317-E319 VanDerWaalsContact C-N 3.28Å; W317-E319 PolarHBondContact O-N 3.07Å; E319-K321 HydrophobicContact CB-CD 4.14Å; E319-K321 HydrophobicContact CB-CG 4.17Å; E319-K321 WeakPolarHBondContact OE2-CD 3.38Å; E319-K321 WeakPolarHBondContact OE2-CE 3.29Å; E319-K321 IonicContact OE2-NZ 3.83Å; E319-K321 PolarHBondContact OE2-NZ 3.47Å |
| 320 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 51.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A316 W317 D328 | A316-G320 PolarHBondContact O-N 3.11Å; W317-G320 PolarHBondContact O-N 3.46Å; W317-G320 VanDerWaalsContact O-N 3.12Å; G320-D328 WeakPolarHBondContact O-CB 3.44Å; G320-D328 VanDerWaalsContact O-CG 3.25Å |
| 321 | K | 98.7 | Very high | 98.7 | Very high | 133 Ų | 133 | 39.7 Ų | 39.7 | 58% | 0.578 | 22% | 0.217 | S | C | * | . | trans | -130.5 | 34.6 | 179.5 | -64.1 | -179.7 | -178.5 | 163.7 | 0 | 112.1 | A316 E319 G323 D328 | A316-K321 PolarHBondContact O-N 3.01Å; E319-K321 HydrophobicContact CB-CD 4.14Å; E319-K321 HydrophobicContact CB-CG 4.17Å; E319-K321 WeakPolarHBondContact OE2-CD 3.38Å; E319-K321 WeakPolarHBondContact OE2-CE 3.29Å; E319-K321 IonicContact OE2-NZ 3.83Å; E319-K321 PolarHBondContact OE2-NZ 3.47Å; K321-G323 VanDerWaalsContact C-N 3.31Å; K321-D328 PolarHBondContact N-OD1 3.21Å | ||
| 322 | T | 98.6 | Very high | 98.8 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 18% | 0.184 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -77.3 | -19.9 | -179.3 | 67.4 | 0 | 0 | 0 | 0 | 112.7 | W317 Y324 V327 D328 F351 | W317-T322 HydrophobicContact CB-CG2 4.25Å; T322-Y324 VanDerWaalsContact C-N 3.28Å; T322-Y324 PolarHBondContact OG1-N 2.97Å; T322-V327 HydrophobicContact CG2-CG1 3.99Å; T322-D328 WeakPolarHBondContact CB-OD1 3.4Å; T322-D328 PolarHBondContact N-OD1 3.45Å; T322-D328 PolarHBondContact N-OD2 3.06Å; T322-D328 PolarHBondContact OG1-OD1 3.32Å; T322-F351 HydrophobicContact CG2-CD1 4.35Å; T322-F351 HydrophobicContact CG2-CE1 3.65Å; T322-F351 HydrophobicContact CG2-CZ 4.33Å |
| 323 | G | 98 | Very high | 98.8 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 32% | 0.32 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 84.7 | 0.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K321 P325 D328 | K321-G323 VanDerWaalsContact C-N 3.31Å; G323-P325 WeakPolarHBondContact O-CD 3.25Å; G323-D328 PolarHBondContact N-OD2 3.09Å |
| 324 | Y | 98.6 | Very high | 98.8 | Very high | 93 Ų | 93 | 31.7 Ų | 31.7 | 37% | 0.365 | 16% | 0.157 | S | C | . | . | trans | -101.6 | 105 | 172.8 | -70.6 | -90.3 | 0 | 0 | 0 | 109.7 | T322 I326 V327 D328 F351 P402 | T322-Y324 VanDerWaalsContact C-N 3.28Å; T322-Y324 PolarHBondContact OG1-N 2.97Å; Y324-I326 VanDerWaalsContact C-N 3.32Å; Y324-I326 PolarHBondContact O-N 3.38Å; Y324-I326 VanDerWaalsContact O-N 3.11Å; Y324-V327 WeakPolarHBondContact O-CB 3.32Å; Y324-V327 PolarHBondContact O-N 2.85Å; Y324-D328 PolarHBondContact O-N 2.97Å; Y324-F351 HydrophobicContact CD1-CE2 4.36Å; Y324-F351 AromaticContact CD2-CE2 3.35Å; Y324-F351 HydrophobicContact CD2-CE2 3.35Å; Y324-F351 AromaticContact CD2-CZ 3.35Å; Y324-F351 HydrophobicContact CD2-CZ 3.35Å; Y324-F351 AromaticContact CE2-CE2 3.56Å; Y324-F351 HydrophobicContact CE2-CE2 3.56Å; Y324-F351 AromaticContact CE2-CZ 3.63Å; Y324-F351 HydrophobicContact CE2-CZ 3.63Å; Y324-F351 AromaticContact CG-CE2 3.77Å; Y324-F351 HydrophobicContact CG-CE2 3.77Å; Y324-F351 HydrophobicContact CG-CZ 4.14Å; Y324-P402 HydrophobicContact CD1-CB 4.08Å; Y324-P402 HydrophobicContact CD1-CG 3.35Å; Y324-P402 HydrophobicContact CE1-CG 3.64Å; Y324-P402 HydrophobicContact CG-CG 4.03Å | ||
| 325 | P | 98.5 | Very high | 98.8 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.2 | -39.3 | -166.7 | -30.5 | 36.5 | 0 | 0 | 0 | 115.3 | G323 A329 I416 L420 L423 V431 H432 P434 | G323-P325 WeakPolarHBondContact O-CD 3.25Å; P325-A329 WeakPolarHBondContact O-CB 3.45Å; P325-A329 PolarHBondContact O-N 3.37Å; P325-I416 HydrophobicContact CB-CD1 3.98Å; P325-I416 HydrophobicContact CB-CG1 4.22Å; P325-I416 HydrophobicContact CB-CG2 3.88Å; P325-L420 HydrophobicContact CB-CD1 4.01Å; P325-L420 WeakPolarHBondContact O-CD1 3.44Å; P325-L423 HydrophobicContact CB-CD1 3.91Å; P325-L423 HydrophobicContact CG-CD1 3.91Å; P325-V431 VanDerWaalsContact CG-O 3.25Å; P325-V431 WeakPolarHBondContact CG-O 3.47Å; P325-H432 WeakPolarHBondContact CD-O 3.12Å; P325-P434 HydrophobicContact CG-CG 3.86Å |
| 326 | I | 98.6 | Very high | 98.8 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.8 | -33.7 | -179.9 | -164.8 | 63.6 | 0 | 0 | 0 | 112.4 | Y324 A330 L344 I347 P402 D410 F415 I416 | Y324-I326 VanDerWaalsContact C-N 3.32Å; Y324-I326 PolarHBondContact O-N 3.38Å; Y324-I326 VanDerWaalsContact O-N 3.11Å; I326-A330 VanDerWaalsContact O-CB 3.29Å; I326-A330 WeakPolarHBondContact O-CB 3.38Å; I326-A330 PolarHBondContact O-N 2.77Å; I326-L344 HydrophobicContact CD1-CD2 3.76Å; I326-L344 HydrophobicContact CG1-CD2 3.86Å; I326-I347 HydrophobicContact CG1-CD1 4.43Å; I326-I347 HydrophobicContact CG2-CG2 4.15Å; I326-P402 HydrophobicContact CG2-CB 4.17Å; I326-P402 WeakPolarHBondContact CG2-O 3.28Å; I326-D410 HydrophobicContact CD1-CB 4.13Å; I326-F415 HydrophobicContact CD1-CD1 4.06Å; I326-F415 HydrophobicContact CD1-CE1 4.47Å; I326-I416 HydrophobicContact CB-CD1 4.33Å; I326-I416 HydrophobicContact CD1-CD1 4.21Å; I326-I416 HydrophobicContact CD1-CG1 4.1Å |
| 327 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.6 | -48.8 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | T322 Y324 A329 A330 M331 I347 T348 F351 P402 | T322-V327 HydrophobicContact CG2-CG1 3.99Å; Y324-V327 WeakPolarHBondContact O-CB 3.32Å; Y324-V327 PolarHBondContact O-N 2.85Å; V327-A329 PolarHBondContact O-N 3.22Å; V327-A330 WeakPolarHBondContact O-CB 3.32Å; V327-A330 PolarHBondContact O-N 2.91Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 WeakPolarHBondContact O-CG 3.44Å; V327-M331 PolarHBondContact O-N 3.29Å; V327-I347 HydrophobicContact CG2-CG2 4.13Å; V327-T348 HydrophobicContact CG1-CG2 4.23Å; V327-F351 HydrophobicContact CG1-CD1 3.99Å; V327-F351 HydrophobicContact CG1-CE1 4.43Å; V327-F351 HydrophobicContact CG1-CG 4.24Å; V327-F351 HydrophobicContact CG2-CB 4.07Å; V327-F351 HydrophobicContact CG2-CD1 4.42Å; V327-F351 HydrophobicContact CG2-CD2 3.97Å; V327-F351 HydrophobicContact CG2-CG 3.89Å; V327-P402 HydrophobicContact CG2-CB 4.04Å |
| 328 | D | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | -178.9 | -68.7 | -10.5 | 0 | 0 | 0 | 111.1 | G320 K321 T322 G323 Y324 A330 M331 R332 L420 | G320-D328 WeakPolarHBondContact O-CB 3.44Å; G320-D328 VanDerWaalsContact O-CG 3.25Å; K321-D328 PolarHBondContact N-OD1 3.21Å; T322-D328 WeakPolarHBondContact CB-OD1 3.4Å; T322-D328 PolarHBondContact N-OD1 3.45Å; T322-D328 PolarHBondContact N-OD2 3.06Å; T322-D328 PolarHBondContact OG1-OD1 3.32Å; G323-D328 PolarHBondContact N-OD2 3.09Å; Y324-D328 PolarHBondContact O-N 2.97Å; D328-A330 VanDerWaalsContact C-N 3.3Å; D328-A330 PolarHBondContact O-N 3.23Å; D328-M331 PolarHBondContact O-N 3.13Å; D328-R332 VanDerWaalsContact O-CG 3.29Å; D328-R332 WeakPolarHBondContact O-CG 3.29Å; D328-R332 PolarHBondContact O-N 2.97Å; D328-L420 HydrophobicContact CB-CD1 4.02Å; D328-L420 HydrophobicContact CB-CD2 4.06Å |
| 329 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P325 V327 R332 Q333 F415 I416 W419 L420 | P325-A329 WeakPolarHBondContact O-CB 3.45Å; P325-A329 PolarHBondContact O-N 3.37Å; V327-A329 PolarHBondContact O-N 3.22Å; A329-R332 PolarHBondContact O-N 2.92Å; A329-Q333 PolarHBondContact O-N 2.79Å; A329-F415 HydrophobicContact CB-CD1 3.95Å; A329-F415 HydrophobicContact CB-CE1 3.49Å; A329-F415 VanDerWaalsContact CB-CE1 3.49Å; A329-F415 HydrophobicContact CB-CZ 4.37Å; A329-I416 HydrophobicContact CB-CG1 4.32Å; A329-W419 HydrophobicContact CB-CB 3.8Å; A329-L420 HydrophobicContact CB-CD1 4.23Å; A329-L420 HydrophobicContact CB-CG 4.05Å |
| 330 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I326 V327 D328 R332 Q333 L334 M340 L344 T348 | I326-A330 VanDerWaalsContact O-CB 3.29Å; I326-A330 WeakPolarHBondContact O-CB 3.38Å; I326-A330 PolarHBondContact O-N 2.77Å; V327-A330 WeakPolarHBondContact O-CB 3.32Å; V327-A330 PolarHBondContact O-N 2.91Å; D328-A330 VanDerWaalsContact C-N 3.3Å; D328-A330 PolarHBondContact O-N 3.23Å; A330-R332 VanDerWaalsContact C-N 3.32Å; A330-R332 PolarHBondContact O-N 3.48Å; A330-Q333 WeakPolarHBondContact O-CB 3.26Å; A330-Q333 PolarHBondContact O-N 3.48Å; A330-L334 PolarHBondContact O-N 3.27Å; A330-M340 HydrophobicContact CB-CE 4.28Å; A330-M340 HydrophobicContact CB-CG 4.4Å; A330-M340 HydrophobicContact CB-SD 4Å; A330-M340 WeakPolarHBondContact O-CE 3.31Å; A330-L344 HydrophobicContact CB-CB 3.77Å; A330-L344 HydrophobicContact CB-CD1 3.92Å; A330-L344 HydrophobicContact CB-CD2 4.26Å; A330-L344 HydrophobicContact CB-CG 4.21Å; A330-T348 HydrophobicContact CB-CG2 3.47Å; A330-T348 VanDerWaalsContact CB-CG2 3.47Å |
| 331 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | 178.3 | -64.1 | -55.3 | -65.4 | 0 | 0 | 111.4 | W317 V327 D328 L334 N335 M340 T348 Y366 F367 | W317-M331 HydrophobicContact CD2-CE 3.88Å; W317-M331 HydrophobicContact CD2-SD 4.36Å; W317-M331 HydrophobicContact CE3-CE 3.89Å; W317-M331 HydrophobicContact CH2-CE 3.74Å; W317-M331 HydrophobicContact CH2-SD 4.34Å; W317-M331 HydrophobicContact CZ2-CE 3.74Å; W317-M331 HydrophobicContact CZ2-SD 3.77Å; W317-M331 HydrophobicContact CZ3-CE 3.82Å; W317-M331 WeakPolarHBondContact O-CE 3.25Å; W317-M331 VanDerWaalsContact O-CG 3.28Å; W317-M331 WeakPolarHBondContact O-CG 3.43Å; V327-M331 HydrophobicContact CG1-CG 4.49Å; V327-M331 WeakPolarHBondContact O-CG 3.44Å; V327-M331 PolarHBondContact O-N 3.29Å; D328-M331 PolarHBondContact O-N 3.13Å; M331-L334 HydrophobicContact CE-CD2 4.23Å; M331-L334 PolarHBondContact O-N 2.96Å; M331-N335 WeakPolarHBondContact O-CB 3.33Å; M331-N335 PolarHBondContact O-N 2.81Å; M331-N335 PolarHBondContact O-ND2 2.78Å; M331-N335 PolarHBondContact O-OD1 3.07Å; M331-M340 HydrophobicContact SD-CE 3.71Å; M331-T348 HydrophobicContact CG-CG2 4.26Å; M331-T348 HydrophobicContact SD-CG2 3.98Å; M331-Y366 HydrophobicContact CE-CD1 3.94Å; M331-Y366 HydrophobicContact CE-CE1 3.53Å; M331-F367 HydrophobicContact SD-CE1 4.46Å |
| 332 | R | 98.9 | Very high | 98.7 | Very high | 66 Ų | 66 | 23.4 Ų | 23.4 | 25% | 0.249 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.2 | -37.1 | 172.6 | -59.8 | -151 | -167.5 | 150 | 6 | 112.7 | D328 A329 A330 S336 W419 L420 E422 | D328-R332 VanDerWaalsContact O-CG 3.29Å; D328-R332 WeakPolarHBondContact O-CG 3.29Å; D328-R332 PolarHBondContact O-N 2.97Å; A329-R332 PolarHBondContact O-N 2.92Å; A330-R332 VanDerWaalsContact C-N 3.32Å; A330-R332 PolarHBondContact O-N 3.48Å; R332-S336 WeakPolarHBondContact O-CB 3.39Å; R332-S336 PolarHBondContact O-N 3.01Å; R332-S336 PolarHBondContact O-OG 3.39Å; R332-W419 HydrophobicContact CB-CE3 4.27Å; R332-L420 HydrophobicContact CG-CD2 4.36Å; R332-E422 IonicContact CZ-OE1 2.75Å; R332-E422 VanDerWaalsContact NH1-CD 3.28Å; R332-E422 IonicContact NH1-OE1 3.03Å; R332-E422 PolarHBondContact NH1-OE1 3.23Å; R332-E422 IonicContact NH1-OE2 2.99Å; R332-E422 PolarHBondContact NH1-OE2 3.04Å; R332-E422 IonicContact NH2-OE1 3.79Å; R332-E422 PolarHBondContact NH2-OE1 3.22Å |
| 333 | Q | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59 | -49.9 | 171.3 | -175.5 | -172.3 | 39.3 | 0 | 0 | 110.8 | A329 A330 S336 T337 W339 F415 W419 | A329-Q333 PolarHBondContact O-N 2.79Å; A330-Q333 WeakPolarHBondContact O-CB 3.26Å; A330-Q333 PolarHBondContact O-N 3.48Å; Q333-S336 PolarHBondContact O-OG 3.27Å; Q333-T337 WeakPolarHBondContact O-CB 3.48Å; Q333-T337 PolarHBondContact O-N 2.97Å; Q333-T337 PolarHBondContact O-OG1 3.47Å; Q333-W339 WeakPolarHBondContact CG-O 3.33Å; Q333-F415 HydrophobicContact CB-CZ 4.14Å; Q333-W419 HydrophobicContact CB-CD2 3.94Å; Q333-W419 HydrophobicContact CB-CE3 4.36Å; Q333-W419 HydrophobicContact CB-CG 4.47Å; Q333-W419 HydrophobicContact CB-CH2 4.31Å; Q333-W419 HydrophobicContact CB-CZ2 3.86Å; Q333-W419 HydrophobicContact CG-CH2 4.2Å; Q333-W419 HydrophobicContact CG-CZ2 3.58Å |
| 334 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.1 | -52.7 | 179.2 | 175.1 | 62.5 | 0 | 0 | 0 | 111.8 | A330 M331 S336 T337 G338 M340 Y366 F367 Q370 L371 | A330-L334 PolarHBondContact O-N 3.27Å; M331-L334 HydrophobicContact CE-CD2 4.23Å; M331-L334 PolarHBondContact O-N 2.96Å; L334-S336 VanDerWaalsContact C-N 3.29Å; L334-S336 PolarHBondContact O-N 3.24Å; L334-T337 PolarHBondContact O-N 3.47Å; L334-G338 VanDerWaalsContact O-CA 3.27Å; L334-G338 WeakPolarHBondContact O-CA 3.48Å; L334-G338 PolarHBondContact O-N 2.93Å; L334-M340 HydrophobicContact CB-CB 4.41Å; L334-M340 HydrophobicContact CB-CE 3.61Å; L334-M340 HydrophobicContact CD2-CE 3.81Å; L334-M340 HydrophobicContact CG-CE 4.24Å; L334-Y366 HydrophobicContact CD2-CD1 4.39Å; L334-Y366 HydrophobicContact CD2-CE1 4.19Å; L334-F367 HydrophobicContact CD2-CD1 3.72Å; L334-F367 HydrophobicContact CD2-CE1 3.72Å; L334-Q370 HydrophobicContact CD1-CB 3.72Å; L334-Q370 HydrophobicContact CD2-CB 4.13Å; L334-Q370 HydrophobicContact CD2-CG 4.37Å; L334-Q370 HydrophobicContact CG-CB 3.78Å; L334-Q370 HydrophobicContact CG-CG 4.31Å; L334-L371 HydrophobicContact CD1-CD2 3.46Å; L334-L371 VanDerWaalsContact CD1-CD2 3.46Å; L334-L371 HydrophobicContact CD1-CG 3.97Å |
| 335 | N | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 19.8 Ų | 19.8 | 23% | 0.23 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66 | -33.5 | -172.1 | -64.5 | -11.1 | 0 | 0 | 0 | 112.5 | R50 Q318 M331 Y366 | R50-N335 PolarHBondContact NH1-O 3.31Å; R50-N335 PolarHBondContact NH2-O 3.41Å; Q318-N335 PolarHBondContact O-ND2 2.95Å; M331-N335 WeakPolarHBondContact O-CB 3.33Å; M331-N335 PolarHBondContact O-N 2.81Å; M331-N335 PolarHBondContact O-ND2 2.78Å; M331-N335 PolarHBondContact O-OD1 3.07Å; N335-Y366 PolarHBondContact ND2-OH 3.28Å; N335-Y366 PolarHBondContact OD1-OH 3.06Å |
| 336 | S | 98.5 | Very high | 98.7 | Very high | 62 Ų | 62 | 21.1 Ų | 21.1 | 43% | 0.434 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -88.2 | -30 | -177.5 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | R50 R332 Q333 L334 W419 | R50-S336 PolarHBondContact NH2-O 2.97Å; R332-S336 WeakPolarHBondContact O-CB 3.39Å; R332-S336 PolarHBondContact O-N 3.01Å; R332-S336 PolarHBondContact O-OG 3.39Å; Q333-S336 PolarHBondContact O-OG 3.27Å; L334-S336 VanDerWaalsContact C-N 3.29Å; L334-S336 PolarHBondContact O-N 3.24Å; S336-W419 WeakPolarHBondContact OG-CH2 3.23Å; S336-W419 WeakPolarHBondContact OG-CZ3 3.3Å |
| 337 | T | 98.7 | Very high | 98.7 | Very high | 38 Ų | 38 | 21.1 Ų | 21.1 | 23% | 0.233 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -112.3 | -18.6 | -174.3 | 70.1 | 0 | 0 | 0 | 0 | 114.3 | R50 Q333 L334 W339 W419 | R50-T337 WeakPolarHBondContact CD-O 3.48Å; Q333-T337 WeakPolarHBondContact O-CB 3.48Å; Q333-T337 PolarHBondContact O-N 2.97Å; Q333-T337 PolarHBondContact O-OG1 3.47Å; L334-T337 PolarHBondContact O-N 3.47Å; T337-W339 PolarHBondContact OG1-N 3.39Å; T337-W339 VanDerWaalsContact OG1-N 3.12Å; T337-W339 PolarHBondContact OG1-O 2.97Å; T337-W339 VanDerWaalsContact OG1-O 3.05Å; T337-W419 HydrophobicContact CG2-CH2 3.52Å; T337-W419 HydrophobicContact CG2-CZ2 4.16Å; T337-W419 HydrophobicContact CG2-CZ3 4.47Å |
| 338 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 73.7 | 10.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L334 Q370 L371 I372 | L334-G338 VanDerWaalsContact O-CA 3.27Å; L334-G338 WeakPolarHBondContact O-CA 3.48Å; L334-G338 PolarHBondContact O-N 2.93Å; G338-Q370 VanDerWaalsContact CA-O 3.3Å; G338-Q370 WeakPolarHBondContact CA-O 3.47Å; G338-L371 CarbonylContact O-C 3.6Å; G338-L371 VanDerWaalsContact O-CA 3.25Å; G338-L371 WeakPolarHBondContact O-CA 3.43Å; G338-I372 WeakPolarHBondContact O-CG2 3.21Å; G338-I372 PolarHBondContact O-N 3.35Å |
| 339 | W | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | trans | -138.6 | 146.9 | 179.7 | -174.4 | 90.4 | 0 | 0 | 0 | 111.1 | F201 R237 S239 Q333 T337 H341 I372 D373 | F201-W339 HydrophobicContact CE1-CB 4.37Å; F201-W339 AromaticContact CE1-CD1 3.79Å; F201-W339 HydrophobicContact CE1-CG 4.11Å; F201-W339 HydrophobicContact CE2-CB 4.1Å; F201-W339 HydrophobicContact CZ-CB 3.46Å; F201-W339 VanDerWaalsContact CZ-CB 3.46Å; F201-W339 AromaticContact CZ-CD1 3.7Å; F201-W339 HydrophobicContact CZ-CD2 4.27Å; F201-W339 AromaticContact CZ-CG 3.54Å; F201-W339 HydrophobicContact CZ-CG 3.54Å; R237-W339 HydrophobicContact CG-CZ2 4.35Å; S239-W339 PolarHBondContact OG-NE1 3.08Å; Q333-W339 WeakPolarHBondContact CG-O 3.33Å; T337-W339 PolarHBondContact OG1-N 3.39Å; T337-W339 VanDerWaalsContact OG1-N 3.12Å; T337-W339 PolarHBondContact OG1-O 2.97Å; T337-W339 VanDerWaalsContact OG1-O 3.05Å; W339-H341 HydrophobicContact CH2-CB 3.94Å; W339-H341 HydrophobicContact CZ3-CB 3.89Å; W339-I372 HydrophobicContact CB-CG2 4.36Å; W339-D373 PolarHBondContact NE1-OD2 2.97Å | ||
| 340 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -133.2 | 136.5 | 174.8 | -171 | -171.9 | -60.5 | 0 | 0 | 109.8 | A330 M331 L334 L344 R345 T348 F367 | A330-M340 HydrophobicContact CB-CE 4.28Å; A330-M340 HydrophobicContact CB-CG 4.4Å; A330-M340 HydrophobicContact CB-SD 4Å; A330-M340 WeakPolarHBondContact O-CE 3.31Å; M331-M340 HydrophobicContact SD-CE 3.71Å; L334-M340 HydrophobicContact CB-CB 4.41Å; L334-M340 HydrophobicContact CB-CE 3.61Å; L334-M340 HydrophobicContact CD2-CE 3.81Å; L334-M340 HydrophobicContact CG-CE 4.24Å; M340-L344 HydrophobicContact CG-CB 3.73Å; M340-L344 VanDerWaalsContact SD-C 3.51Å; M340-L344 HydrophobicContact SD-CB 3.89Å; M340-R345 HydrophobicContact CB-CG 3.86Å; M340-R345 HydrophobicContact CG-CG 3.98Å; M340-R345 PolarHBondContact O-NE 3.27Å; M340-R345 PolarHBondContact O-NH2 3.39Å; M340-R345 HydrophobicContact SD-CB 4.35Å; M340-R345 HydrophobicContact SD-CG 3.89Å; M340-R345 PolarHBondContact SD-N 2.97Å; M340-R345 VanDerWaalsContact SD-N 3.41Å; M340-T348 HydrophobicContact CE-CG2 4.18Å; M340-T348 HydrophobicContact SD-CG2 3.98Å; M340-T348 PolarHBondContact SD-OG1 3.46Å; M340-T348 VanDerWaalsContact SD-OG1 3.41Å; M340-F367 HydrophobicContact CE-CE1 3.89Å; M340-F367 HydrophobicContact CE-CZ 3.75Å; M340-F367 HydrophobicContact SD-CZ 3.97Å | ||
| 341 | H | 98.6 | Very high | 98.7 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | trans | -58.6 | 140 | 175.7 | -174.1 | -89 | 0 | 0 | 0 | 110.9 | R227 P230 W339 R343 L344 R345 | R227-H341 PolarHBondContact O-CE1 2.91Å; R227-H341 PolarHBondContact O-NE2 3.32Å; P230-H341 HydrophobicContact CB-CB 4.07Å; W339-H341 HydrophobicContact CH2-CB 3.94Å; W339-H341 HydrophobicContact CZ3-CB 3.89Å; H341-R343 VanDerWaalsContact C-N 3.33Å; H341-R343 WeakPolarHBondContact ND1-CB 3.49Å; H341-R343 PolarHBondContact ND1-N 3.44Å; H341-R343 PolarHBondContact O-N 2.76Å; H341-L344 HydrophobicContact CB-CB 4.46Å; H341-L344 HydrophobicContact CB-CD1 3.97Å; H341-L344 HydrophobicContact CB-CG 4.13Å; H341-L344 WeakPolarHBondContact O-CA 3.41Å; H341-L344 WeakPolarHBondContact O-CB 3.37Å; H341-L344 PolarHBondContact O-N 3.41Å; H341-R345 PolarHBondContact O-N 3.06Å | ||
| 342 | N | 97.9 | Very high | 98.7 | Very high | 83 Ų | 83 | 21.1 Ų | 21.1 | 44% | 0.444 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -56.3 | -44.5 | -171.9 | -178.1 | 49.8 | 0 | 0 | 0 | 113 | L344 R345 M346 | N342-L344 PolarHBondContact O-N 2.92Å; N342-R345 WeakPolarHBondContact O-CB 3.34Å; N342-R345 PolarHBondContact O-N 3.07Å; N342-M346 WeakPolarHBondContact O-CG 3.36Å; N342-M346 PolarHBondContact O-N 3.43Å; N342-M346 VanDerWaalsContact O-N 3.09Å |
| 343 | R | 98 | Very high | 98.6 | Very high | 31 Ų | 31 | 18.2 Ų | 18.2 | 12% | 0.117 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.4 | -38.5 | 175.2 | -180 | 53.9 | 61.5 | -171.3 | -1 | 112.3 | D228 H341 I347 F409 | D228-R343 IonicContact OD1-CZ 3.13Å; D228-R343 IonicContact OD1-NE 2.68Å; D228-R343 PolarHBondContact OD1-NE 3.47Å; D228-R343 VanDerWaalsContact OD1-NE 3.15Å; D228-R343 IonicContact OD1-NH2 3.64Å; D228-R343 PolarHBondContact OD1-NH2 3.17Å; D228-R343 IonicContact OD2-NH2 2.7Å; H341-R343 VanDerWaalsContact C-N 3.33Å; H341-R343 WeakPolarHBondContact ND1-CB 3.49Å; H341-R343 PolarHBondContact ND1-N 3.44Å; H341-R343 PolarHBondContact O-N 2.76Å; R343-I347 HydrophobicContact CG-CD1 4.09Å; R343-I347 WeakPolarHBondContact O-CD1 3.37Å; R343-I347 VanDerWaalsContact O-CG1 3.3Å; R343-I347 WeakPolarHBondContact O-CG1 3.23Å; R343-I347 PolarHBondContact O-N 3.49Å; R343-F409 HydrophobicContact CG-CB 4.24Å; R343-F409 HydrophobicContact CG-CD1 4.4Å; R343-F409 HydrophobicContact CG-CD2 3.85Å; R343-F409 HydrophobicContact CG-CE2 4.31Å; R343-F409 HydrophobicContact CG-CG 3.91Å |
| 344 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -75.6 | -35.8 | 179.3 | -60.9 | 178.2 | 0 | 0 | 0 | 111.8 | P230 I326 A330 M340 H341 N342 M346 I347 T348 F415 | P230-L344 HydrophobicContact CB-CD1 3.7Å; P230-L344 HydrophobicContact CB-CD2 4.31Å; P230-L344 HydrophobicContact CB-CG 3.94Å; P230-L344 HydrophobicContact CG-CD1 4.29Å; P230-L344 HydrophobicContact CG-CD2 4.04Å; P230-L344 HydrophobicContact CG-CG 4.21Å; I326-L344 HydrophobicContact CD1-CD2 3.76Å; I326-L344 HydrophobicContact CG1-CD2 3.86Å; A330-L344 HydrophobicContact CB-CB 3.77Å; A330-L344 HydrophobicContact CB-CD1 3.92Å; A330-L344 HydrophobicContact CB-CD2 4.26Å; A330-L344 HydrophobicContact CB-CG 4.21Å; M340-L344 HydrophobicContact CG-CB 3.73Å; M340-L344 VanDerWaalsContact SD-C 3.51Å; M340-L344 HydrophobicContact SD-CB 3.89Å; H341-L344 HydrophobicContact CB-CB 4.46Å; H341-L344 HydrophobicContact CB-CD1 3.97Å; H341-L344 HydrophobicContact CB-CG 4.13Å; H341-L344 WeakPolarHBondContact O-CA 3.41Å; H341-L344 WeakPolarHBondContact O-CB 3.37Å; H341-L344 PolarHBondContact O-N 3.41Å; N342-L344 PolarHBondContact O-N 2.92Å; L344-M346 VanDerWaalsContact C-N 3.26Å; L344-M346 PolarHBondContact O-N 3.4Å; L344-I347 HydrophobicContact CD2-CD1 4.25Å; L344-I347 PolarHBondContact O-N 3.31Å; L344-I347 VanDerWaalsContact O-N 3.14Å; L344-T348 WeakPolarHBondContact O-CG2 3.5Å; L344-T348 PolarHBondContact O-N 2.8Å; L344-T348 PolarHBondContact O-OG1 3.32Å; L344-F415 HydrophobicContact CD1-CD1 4.19Å; L344-F415 HydrophobicContact CD1-CD2 4.46Å; L344-F415 HydrophobicContact CD1-CE1 3.39Å; L344-F415 HydrophobicContact CD1-CE2 3.7Å; L344-F415 HydrophobicContact CD1-CZ 3.12Å; L344-F415 HydrophobicContact CD2-CE1 4.29Å; L344-F415 HydrophobicContact CG-CE1 4.49Å |
| 345 | R | 98.7 | Very high | 98.6 | Very high | 47 Ų | 47 | 22.4 Ų | 22.4 | 18% | 0.177 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.1 | -43.7 | 171.8 | -64 | -169.5 | -162.8 | -156.8 | 3.1 | 111 | M340 H341 N342 T348 A349 F367 D373 | M340-R345 HydrophobicContact CB-CG 3.86Å; M340-R345 HydrophobicContact CG-CG 3.98Å; M340-R345 PolarHBondContact O-NE 3.27Å; M340-R345 PolarHBondContact O-NH2 3.39Å; M340-R345 HydrophobicContact SD-CB 4.35Å; M340-R345 HydrophobicContact SD-CG 3.89Å; M340-R345 PolarHBondContact SD-N 2.97Å; M340-R345 VanDerWaalsContact SD-N 3.41Å; H341-R345 PolarHBondContact O-N 3.06Å; N342-R345 WeakPolarHBondContact O-CB 3.34Å; N342-R345 PolarHBondContact O-N 3.07Å; R345-T348 PolarHBondContact O-OG1 2.72Å; R345-A349 WeakPolarHBondContact O-CB 3.5Å; R345-A349 PolarHBondContact O-N 2.74Å; R345-F367 HydrophobicContact CB-CE2 3.97Å; R345-F367 HydrophobicContact CB-CZ 4.46Å; R345-F367 HydrophobicContact CG-CE2 3.87Å; R345-F367 HydrophobicContact CG-CZ 4.39Å; R345-D373 IonicContact CZ-OD1 3.41Å; R345-D373 IonicContact CZ-OD2 2.96Å; R345-D373 IonicContact NH1-OD1 3.71Å; R345-D373 PolarHBondContact NH1-OD1 3.31Å; R345-D373 IonicContact NH1-OD2 2.67Å; R345-D373 VanDerWaalsContact NH2-CG 3.28Å; R345-D373 IonicContact NH2-OD1 2.75Å; R345-D373 PolarHBondContact NH2-OD1 2.94Å; R345-D373 IonicContact NH2-OD2 3.48Å; R345-D373 PolarHBondContact NH2-OD2 3.14Å |
| 346 | M | 98.3 | Very high | 98.6 | Very high | 33 Ų | 33 | 21.6 Ų | 21.6 | 16% | 0.163 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 176.2 | -60.1 | 165 | 76.2 | 0 | 0 | 112.1 | N342 L344 S350 W385 | N342-M346 WeakPolarHBondContact O-CG 3.36Å; N342-M346 PolarHBondContact O-N 3.43Å; N342-M346 VanDerWaalsContact O-N 3.09Å; L344-M346 VanDerWaalsContact C-N 3.26Å; L344-M346 PolarHBondContact O-N 3.4Å; M346-S350 VanDerWaalsContact O-CB 3.24Å; M346-S350 WeakPolarHBondContact O-CB 3.2Å; M346-S350 PolarHBondContact O-N 2.66Å; M346-W385 HydrophobicContact CB-CZ3 4Å; M346-W385 HydrophobicContact CE-CE3 4.49Å; M346-W385 HydrophobicContact CE-CH2 3.13Å; M346-W385 HydrophobicContact CE-CZ2 3.76Å; M346-W385 HydrophobicContact CE-CZ3 3.55Å; M346-W385 HydrophobicContact CG-CH2 4.47Å; M346-W385 HydrophobicContact CG-CZ3 3.91Å |
| 347 | I | 98.6 | Very high | 98.6 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.5 | -49.9 | -178.6 | -67.4 | 162.2 | 0 | 0 | 0 | 110.8 | I326 V327 R343 L344 S350 F351 F400 Q405 | I326-I347 HydrophobicContact CG1-CD1 4.43Å; I326-I347 HydrophobicContact CG2-CG2 4.15Å; V327-I347 HydrophobicContact CG2-CG2 4.13Å; R343-I347 HydrophobicContact CG-CD1 4.09Å; R343-I347 WeakPolarHBondContact O-CD1 3.37Å; R343-I347 VanDerWaalsContact O-CG1 3.3Å; R343-I347 WeakPolarHBondContact O-CG1 3.23Å; R343-I347 PolarHBondContact O-N 3.49Å; L344-I347 HydrophobicContact CD2-CD1 4.25Å; L344-I347 PolarHBondContact O-N 3.31Å; L344-I347 VanDerWaalsContact O-N 3.14Å; I347-S350 PolarHBondContact O-N 2.88Å; I347-F351 WeakPolarHBondContact O-CB 3.44Å; I347-F351 PolarHBondContact O-N 2.85Å; I347-F400 HydrophobicContact CG1-CD2 4.46Å; I347-Q405 HydrophobicContact CD1-CB 3.66Å; I347-Q405 HydrophobicContact CD1-CG 4.33Å; I347-Q405 HydrophobicContact CG1-CB 3.9Å; I347-Q405 HydrophobicContact CG1-CG 4.04Å |
| 348 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | -177.3 | 54.9 | 0 | 0 | 0 | 0 | 112 | W317 V327 A330 M331 M340 L344 R345 F351 L352 | W317-T348 PolarHBondContact NE1-O 3.02Å; V327-T348 HydrophobicContact CG1-CG2 4.23Å; A330-T348 HydrophobicContact CB-CG2 3.47Å; A330-T348 VanDerWaalsContact CB-CG2 3.47Å; M331-T348 HydrophobicContact CG-CG2 4.26Å; M331-T348 HydrophobicContact SD-CG2 3.98Å; M340-T348 HydrophobicContact CE-CG2 4.18Å; M340-T348 HydrophobicContact SD-CG2 3.98Å; M340-T348 PolarHBondContact SD-OG1 3.46Å; M340-T348 VanDerWaalsContact SD-OG1 3.41Å; L344-T348 WeakPolarHBondContact O-CG2 3.5Å; L344-T348 PolarHBondContact O-N 2.8Å; L344-T348 PolarHBondContact O-OG1 3.32Å; R345-T348 PolarHBondContact O-OG1 2.72Å; T348-F351 PolarHBondContact O-N 3.35Å; T348-L352 PolarHBondContact O-N 3.18Å |
| 349 | A | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R345 F351 L352 V353 W383 A386 | R345-A349 WeakPolarHBondContact O-CB 3.5Å; R345-A349 PolarHBondContact O-N 2.74Å; A349-F351 VanDerWaalsContact C-N 3.3Å; A349-F351 PolarHBondContact O-N 3.18Å; A349-L352 PolarHBondContact O-N 2.91Å; A349-V353 WeakPolarHBondContact O-CG2 3.37Å; A349-V353 PolarHBondContact O-N 3.37Å; A349-V353 VanDerWaalsContact O-N 3.11Å; A349-W383 HydrophobicContact CB-CD2 4.26Å; A349-W383 HydrophobicContact CB-CE3 3.86Å; A349-W383 HydrophobicContact CB-CH2 3.77Å; A349-W383 HydrophobicContact CB-CZ2 4.18Å; A349-W383 HydrophobicContact CB-CZ3 3.6Å; A349-A386 HydrophobicContact CB-CB 3.68Å |
| 350 | S | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 174 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | M346 I347 V353 K354 | M346-S350 VanDerWaalsContact O-CB 3.24Å; M346-S350 WeakPolarHBondContact O-CB 3.2Å; M346-S350 PolarHBondContact O-N 2.66Å; I347-S350 PolarHBondContact O-N 2.88Å; S350-V353 PolarHBondContact O-N 2.92Å; S350-K354 WeakPolarHBondContact O-CA 3.31Å; S350-K354 VanDerWaalsContact O-CB 3.25Å; S350-K354 WeakPolarHBondContact O-CB 3.45Å; S350-K354 PolarHBondContact O-N 3.09Å |
| 351 | F | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -61.5 | -48.4 | 179.1 | -173 | -93.3 | 0 | 0 | 0 | 111.6 | T322 Y324 V327 I347 T348 A349 V353 D355 L356 P402 | T322-F351 HydrophobicContact CG2-CD1 4.35Å; T322-F351 HydrophobicContact CG2-CE1 3.65Å; T322-F351 HydrophobicContact CG2-CZ 4.33Å; Y324-F351 HydrophobicContact CD1-CE2 4.36Å; Y324-F351 AromaticContact CD2-CE2 3.35Å; Y324-F351 HydrophobicContact CD2-CE2 3.35Å; Y324-F351 AromaticContact CD2-CZ 3.35Å; Y324-F351 HydrophobicContact CD2-CZ 3.35Å; Y324-F351 AromaticContact CE2-CE2 3.56Å; Y324-F351 HydrophobicContact CE2-CE2 3.56Å; Y324-F351 AromaticContact CE2-CZ 3.63Å; Y324-F351 HydrophobicContact CE2-CZ 3.63Å; Y324-F351 AromaticContact CG-CE2 3.77Å; Y324-F351 HydrophobicContact CG-CE2 3.77Å; Y324-F351 HydrophobicContact CG-CZ 4.14Å; V327-F351 HydrophobicContact CG1-CD1 3.99Å; V327-F351 HydrophobicContact CG1-CE1 4.43Å; V327-F351 HydrophobicContact CG1-CG 4.24Å; V327-F351 HydrophobicContact CG2-CB 4.07Å; V327-F351 HydrophobicContact CG2-CD1 4.42Å; V327-F351 HydrophobicContact CG2-CD2 3.97Å; V327-F351 HydrophobicContact CG2-CG 3.89Å; I347-F351 WeakPolarHBondContact O-CB 3.44Å; I347-F351 PolarHBondContact O-N 2.85Å; T348-F351 PolarHBondContact O-N 3.35Å; A349-F351 VanDerWaalsContact C-N 3.3Å; A349-F351 PolarHBondContact O-N 3.18Å; F351-V353 VanDerWaalsContact C-N 3.34Å; F351-V353 PolarHBondContact O-N 3.46Å; F351-D355 HydrophobicContact CD2-CB 3.79Å; F351-D355 HydrophobicContact CE2-CB 3.92Å; F351-D355 HydrophobicContact CG-CB 4.23Å; F351-D355 HydrophobicContact CZ-CB 4.46Å; F351-D355 WeakPolarHBondContact O-CA 3.44Å; F351-D355 VanDerWaalsContact O-CB 3.31Å; F351-D355 WeakPolarHBondContact O-CB 3.44Å; F351-D355 PolarHBondContact O-N 2.72Å; F351-L356 HydrophobicContact CD1-CD1 4.05Å; F351-L356 HydrophobicContact CD1-CG 4.08Å; F351-L356 HydrophobicContact CE1-CD1 3.79Å; F351-L356 HydrophobicContact CE1-CD2 3.89Å; F351-L356 HydrophobicContact CE1-CG 3.8Å; F351-L356 HydrophobicContact CZ-CD2 4.23Å; F351-L356 PolarHBondContact O-N 3.44Å; F351-P402 HydrophobicContact CD2-CB 4.33Å; F351-P402 HydrophobicContact CD2-CG 3.99Å; F351-P402 HydrophobicContact CE2-CG 4.15Å |
| 352 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -58 | -46.5 | 178.5 | -176 | 67.3 | 0 | 0 | 0 | 112 | L314 W317 T348 A349 L356 L357 I358 G363 W383 | L314-L352 HydrophobicContact CD1-CD1 4.04Å; W317-L352 HydrophobicContact CB-CD1 4.2Å; W317-L352 HydrophobicContact CD2-CB 4.34Å; W317-L352 HydrophobicContact CD2-CD1 3.87Å; W317-L352 HydrophobicContact CD2-CD2 4.26Å; W317-L352 HydrophobicContact CD2-CG 4.39Å; W317-L352 HydrophobicContact CE3-CD1 4.11Å; W317-L352 HydrophobicContact CE3-CD2 4.18Å; W317-L352 HydrophobicContact CG-CB 4.48Å; W317-L352 HydrophobicContact CG-CD1 3.89Å; W317-L352 HydrophobicContact CH2-CD2 4.09Å; W317-L352 HydrophobicContact CZ2-CB 4.43Å; W317-L352 HydrophobicContact CZ2-CD2 4.15Å; W317-L352 HydrophobicContact CZ3-CD2 4.1Å; T348-L352 PolarHBondContact O-N 3.18Å; A349-L352 PolarHBondContact O-N 2.91Å; L352-L356 HydrophobicContact CD1-CD1 4.15Å; L352-L356 WeakPolarHBondContact O-CB 3.23Å; L352-L357 PolarHBondContact O-N 3.12Å; L352-I358 HydrophobicContact CD1-CB 3.77Å; L352-I358 HydrophobicContact CD1-CD1 3.7Å; L352-I358 HydrophobicContact CD1-CG1 4.31Å; L352-I358 HydrophobicContact CD1-CG2 3.91Å; L352-I358 HydrophobicContact CG-CB 4.06Å; L352-I358 HydrophobicContact CG-CG2 4.19Å; L352-I358 PolarHBondContact O-N 3.13Å; L352-I358 VanDerWaalsContact O-N 3.08Å; L352-G363 VanDerWaalsContact CD2-CA 3.41Å; L352-W383 HydrophobicContact CB-CH2 4.42Å; L352-W383 HydrophobicContact CB-CZ3 4.37Å; L352-W383 HydrophobicContact CD2-CH2 3.62Å; L352-W383 HydrophobicContact CD2-CZ3 3.72Å |
| 353 | V | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -86.6 | -31.7 | -170.7 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | W307 A349 S350 F351 L357 W360 W383 A387 | W307-V353 HydrophobicContact CH2-CG1 3.88Å; W307-V353 HydrophobicContact CZ3-CG1 3.62Å; A349-V353 WeakPolarHBondContact O-CG2 3.37Å; A349-V353 PolarHBondContact O-N 3.37Å; A349-V353 VanDerWaalsContact O-N 3.11Å; S350-V353 PolarHBondContact O-N 2.92Å; F351-V353 VanDerWaalsContact C-N 3.34Å; F351-V353 PolarHBondContact O-N 3.46Å; V353-L357 WeakPolarHBondContact O-CA 3.37Å; V353-W360 HydrophobicContact CG2-CB 3.65Å; V353-W383 HydrophobicContact CG2-CE3 4.29Å; V353-W383 HydrophobicContact CG2-CZ3 4.01Å; V353-A387 HydrophobicContact CG1-CB 3.82Å; V353-A387 HydrophobicContact CG2-CB 4.29Å |
| 354 | K | 98.4 | Very high | 98.7 | Very high | 34 Ų | 34 | 20.5 Ų | 20.5 | 15% | 0.148 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -112.1 | -23.8 | -170.6 | -62.8 | 178.2 | 164.6 | 168.3 | 0 | 114.4 | S350 A386 S388 R398 I399 | S350-K354 WeakPolarHBondContact O-CA 3.31Å; S350-K354 VanDerWaalsContact O-CB 3.25Å; S350-K354 WeakPolarHBondContact O-CB 3.45Å; S350-K354 PolarHBondContact O-N 3.09Å; K354-A386 WeakPolarHBondContact CE-O 3.47Å; K354-A386 PolarHBondContact NZ-O 3.05Å; K354-A386 VanDerWaalsContact NZ-O 3.07Å; K354-S388 VanDerWaalsContact CE-OG 3.31Å; K354-S388 WeakPolarHBondContact CE-OG 3.3Å; K354-S388 PolarHBondContact NZ-OG 3.26Å; K354-R398 WeakPolarHBondContact CD-O 3.19Å; K354-R398 PolarHBondContact NZ-O 2.91Å; K354-I399 HydrophobicContact CB-CG1 4.25Å; K354-I399 HydrophobicContact CB-CG2 4Å; K354-I399 HydrophobicContact CD-CG1 4.29Å |
| 355 | D | 98.5 | Very high | 98.7 | Very high | 63 Ų | 63 | 25.2 Ų | 25.2 | 34% | 0.337 | 12% | 0.117 | S | C | . | . | I | π-helix | trans | -95.3 | -42 | 171.6 | -67.6 | -101.3 | 0 | 0 | 0 | 111.3 | F351 | F351-D355 HydrophobicContact CD2-CB 3.79Å; F351-D355 HydrophobicContact CE2-CB 3.92Å; F351-D355 HydrophobicContact CG-CB 4.23Å; F351-D355 HydrophobicContact CZ-CB 4.46Å; F351-D355 WeakPolarHBondContact O-CA 3.44Å; F351-D355 VanDerWaalsContact O-CB 3.31Å; F351-D355 WeakPolarHBondContact O-CB 3.44Å; F351-D355 PolarHBondContact O-N 2.72Å |
| 356 | L | 98.7 | Very high | 98.7 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 13% | 0.131 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -93.2 | -13.3 | 179.8 | -51.3 | -179 | 0 | 0 | 0 | 113.8 | H313 W317 F351 L352 I358 | H313-L356 HydrophobicContact CB-CD1 4.4Å; W317-L356 HydrophobicContact CB-CD1 4.08Å; F351-L356 HydrophobicContact CD1-CD1 4.05Å; F351-L356 HydrophobicContact CD1-CG 4.08Å; F351-L356 HydrophobicContact CE1-CD1 3.79Å; F351-L356 HydrophobicContact CE1-CD2 3.89Å; F351-L356 HydrophobicContact CE1-CG 3.8Å; F351-L356 HydrophobicContact CZ-CD2 4.23Å; F351-L356 PolarHBondContact O-N 3.44Å; L352-L356 HydrophobicContact CD1-CD1 4.15Å; L352-L356 WeakPolarHBondContact O-CB 3.23Å; L356-I358 HydrophobicContact CB-CD1 3.9Å; L356-I358 HydrophobicContact CB-CG1 4.15Å; L356-I358 HydrophobicContact CD1-CD1 4.16Å; L356-I358 PolarHBondContact O-N 2.98Å |
| 357 | L | 98.6 | Very high | 98.7 | Very high | 63 Ų | 63 | 23.3 Ų | 23.3 | 33% | 0.33 | 11% | 0.108 | S | C | . | . | trans | 54.8 | 30.8 | -176.4 | -163.9 | 62.1 | 0 | 0 | 0 | 113.3 | V305 W307 Q308 L352 V353 | V305-L357 HydrophobicContact CG1-CD1 4.22Å; W307-L357 CarbonylContact C-O 3.27Å; W307-L357 WeakPolarHBondContact CA-O 3.3Å; W307-L357 HydrophobicContact CE3-CD1 4.02Å; W307-L357 HydrophobicContact CE3-CG 4.43Å; W307-L357 HydrophobicContact CZ3-CD1 4.05Å; Q308-L357 HydrophobicContact CG-CB 4.07Å; Q308-L357 HydrophobicContact CG-CD2 4.29Å; Q308-L357 HydrophobicContact CG-CG 4.44Å; Q308-L357 PolarHBondContact N-O 3.16Å; L352-L357 PolarHBondContact O-N 3.12Å; V353-L357 WeakPolarHBondContact O-CA 3.37Å | ||
| 358 | I | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | trans | -84.5 | 145.2 | 175.6 | -69.9 | 164.8 | 0 | 0 | 0 | 109.4 | H313 L314 L352 L356 W360 E362 | H313-I358 HydrophobicContact CB-CD1 3.88Å; L314-I358 HydrophobicContact CB-CD1 3.96Å; L314-I358 HydrophobicContact CD1-CG2 4.38Å; L352-I358 HydrophobicContact CD1-CB 3.77Å; L352-I358 HydrophobicContact CD1-CD1 3.7Å; L352-I358 HydrophobicContact CD1-CG1 4.31Å; L352-I358 HydrophobicContact CD1-CG2 3.91Å; L352-I358 HydrophobicContact CG-CB 4.06Å; L352-I358 HydrophobicContact CG-CG2 4.19Å; L352-I358 PolarHBondContact O-N 3.13Å; L352-I358 VanDerWaalsContact O-N 3.08Å; L356-I358 HydrophobicContact CB-CD1 3.9Å; L356-I358 HydrophobicContact CB-CG1 4.15Å; L356-I358 HydrophobicContact CD1-CD1 4.16Å; L356-I358 PolarHBondContact O-N 2.98Å; I358-W360 PolarHBondContact O-N 3.37Å; I358-E362 HydrophobicContact CG2-CB 4.03Å; I358-E362 HydrophobicContact CG2-CG 4.23Å | ||
| 359 | D | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 25.5 Ų | 25.5 | 19% | 0.187 | 12% | 0.122 | C | C | . | . | trans | -56.4 | 128.6 | 178.1 | -168.1 | -27.8 | 0 | 0 | 0 | 110.5 | W307 R361 E362 | W307-D359 HydrophobicContact CB-CB 4.04Å; W307-D359 HydrophobicContact CD2-CB 4.25Å; W307-D359 HydrophobicContact CG-CB 3.78Å; D359-R361 PolarHBondContact O-N 3.02Å; D359-R361 VanDerWaalsContact O-N 3.1Å; D359-R361 WeakPolarHBondContact OD1-CG 3.36Å; D359-R361 IonicContact OD1-CZ 3.62Å; D359-R361 PolarHBondContact OD1-N 2.92Å; D359-R361 IonicContact OD1-NH1 3.15Å; D359-R361 PolarHBondContact OD1-NH1 3.14Å; D359-R361 IonicContact OD2-CZ 2.66Å; D359-R361 IonicContact OD2-NH1 3.34Å; D359-R361 PolarHBondContact OD2-NH1 3.4Å; D359-E362 WeakPolarHBondContact O-CB 3.33Å; D359-E362 PolarHBondContact O-N 3.31Å | ||
| 360 | W | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.7 | -25.5 | -179.1 | 60.4 | -89.5 | 0 | 0 | 0 | 113 | P297 V353 I358 E362 G363 E364 W383 Q384 A387 | P297-W360 HydrophobicContact CB-CZ2 4.37Å; V353-W360 HydrophobicContact CG2-CB 3.65Å; I358-W360 PolarHBondContact O-N 3.37Å; W360-E362 VanDerWaalsContact C-N 3.28Å; W360-E362 PolarHBondContact O-N 3.45Å; W360-G363 PolarHBondContact O-N 3.45Å; W360-E364 HydrophobicContact CE3-CB 4.49Å; W360-E364 WeakPolarHBondContact CZ3-OE2 3.49Å; W360-E364 WeakPolarHBondContact O-CB 3.23Å; W360-E364 PolarHBondContact O-N 3.25Å; W360-W383 HydrophobicContact CB-CE3 4.08Å; W360-W383 HydrophobicContact CE3-CB 4.11Å; W360-Q384 HydrophobicContact CE3-CG 4.28Å; W360-Q384 HydrophobicContact CH2-CG 3.88Å; W360-Q384 HydrophobicContact CZ2-CG 4.27Å; W360-Q384 HydrophobicContact CZ3-CG 3.89Å; W360-A387 HydrophobicContact CB-CB 3.64Å; W360-A387 HydrophobicContact CG-CB 3.79Å |
| 361 | R | 98.6 | Very high | 98.8 | Very high | 32 Ų | 32 | 27.2 Ų | 27.2 | 12% | 0.121 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -30.7 | 176.4 | -63.3 | 168.3 | -176.6 | 95 | -6.2 | 113 | H295 D303 D359 R365 | H295-R361 VanDerWaalsContact O-CZ 3.28Å; H295-R361 PolarHBondContact O-NE 3.35Å; H295-R361 PolarHBondContact O-NH2 3.08Å; D303-R361 IonicContact OD1-CZ 3.85Å; D303-R361 IonicContact OD1-NH1 3.02Å; D303-R361 IonicContact OD1-NH2 2.7Å; D303-R361 PolarHBondContact OD1-NH2 3.14Å; D359-R361 PolarHBondContact O-N 3.02Å; D359-R361 VanDerWaalsContact O-N 3.1Å; D359-R361 WeakPolarHBondContact OD1-CG 3.36Å; D359-R361 IonicContact OD1-CZ 3.62Å; D359-R361 PolarHBondContact OD1-N 2.92Å; D359-R361 IonicContact OD1-NH1 3.15Å; D359-R361 PolarHBondContact OD1-NH1 3.14Å; D359-R361 IonicContact OD2-CZ 2.66Å; D359-R361 IonicContact OD2-NH1 3.34Å; D359-R361 PolarHBondContact OD2-NH1 3.4Å; R361-R365 WeakPolarHBondContact O-CB 3.29Å; R361-R365 PolarHBondContact O-N 3.45Å |
| 362 | E | 98.8 | Very high | 98.8 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 29% | 0.294 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -66.8 | -42.4 | 175.3 | -66.2 | -57.8 | 128.2 | 0 | 0 | 110.7 | L314 I358 D359 W360 R365 Y366 | L314-E362 HydrophobicContact CD1-CB 4.23Å; L314-E362 HydrophobicContact CD2-CB 4.13Å; L314-E362 HydrophobicContact CD2-CG 4.35Å; I358-E362 HydrophobicContact CG2-CB 4.03Å; I358-E362 HydrophobicContact CG2-CG 4.23Å; D359-E362 WeakPolarHBondContact O-CB 3.33Å; D359-E362 PolarHBondContact O-N 3.31Å; W360-E362 VanDerWaalsContact C-N 3.28Å; W360-E362 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-CZ 2.7Å; E362-R365 IonicContact OE1-NH1 2.8Å; E362-R365 PolarHBondContact OE1-NH1 3.04Å; E362-R365 IonicContact OE1-NH2 3.99Å; E362-R365 PolarHBondContact OE1-NH2 3.33Å; E362-R365 IonicContact OE2-CZ 3.49Å; E362-R365 IonicContact OE2-NH1 3.22Å; E362-R365 PolarHBondContact OE2-NH1 3.34Å; E362-Y366 PolarHBondContact O-N 3.08Å; E362-Y366 VanDerWaalsContact O-N 3.09Å |
| 363 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L352 W360 R365 Y366 F367 W383 | L352-G363 VanDerWaalsContact CD2-CA 3.41Å; W360-G363 PolarHBondContact O-N 3.45Å; G363-R365 VanDerWaalsContact C-N 3.33Å; G363-R365 PolarHBondContact O-N 3.47Å; G363-Y366 PolarHBondContact O-N 2.95Å; G363-F367 WeakPolarHBondContact O-CB 3.4Å; G363-F367 PolarHBondContact O-N 2.95Å; G363-W383 VanDerWaalsContact CA-CZ2 3.41Å; G363-W383 VanDerWaalsContact O-CZ2 3.23Å; G363-W383 WeakPolarHBondContact O-CZ2 3.38Å |
| 364 | E | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.5 | -49.6 | 175.7 | -176.5 | -171.4 | -150.4 | 0 | 0 | 111.4 | H295 W360 F367 M368 N379 N380 W383 | H295-E364 IonicContact ND1-OE2 2.74Å; W360-E364 HydrophobicContact CE3-CB 4.49Å; W360-E364 WeakPolarHBondContact CZ3-OE2 3.49Å; W360-E364 WeakPolarHBondContact O-CB 3.23Å; W360-E364 PolarHBondContact O-N 3.25Å; E364-F367 PolarHBondContact O-N 3.28Å; E364-M368 PolarHBondContact O-N 3.01Å; E364-N379 WeakPolarHBondContact CG-ND2 3.19Å; E364-N379 PolarHBondContact O-ND2 3.26Å; E364-N380 VanDerWaalsContact OE1-CA 3.3Å; E364-N380 WeakPolarHBondContact OE1-CA 3.42Å; E364-N380 WeakPolarHBondContact OE1-CB 3.38Å; E364-N380 PolarHBondContact OE1-ND2 3.41Å; E364-W383 VanDerWaalsContact CA-CD1 3.49Å; E364-W383 HydrophobicContact CB-CB 4.37Å; E364-W383 HydrophobicContact CB-CD2 4.34Å; E364-W383 HydrophobicContact CB-CG 3.89Å; E364-W383 HydrophobicContact CG-CG 4.44Å; E364-W383 VanDerWaalsContact N-CE2 3.35Å |
| 365 | R | 98.8 | Very high | 98.8 | Very high | 100 Ų | 100 | 26.8 Ų | 26.8 | 38% | 0.377 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.5 | -43.7 | 178.4 | -166.1 | -174.7 | -53.6 | 117.9 | 4.7 | 111.8 | R361 E362 G363 M368 S369 | R361-R365 WeakPolarHBondContact O-CB 3.29Å; R361-R365 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-CZ 2.7Å; E362-R365 IonicContact OE1-NH1 2.8Å; E362-R365 PolarHBondContact OE1-NH1 3.04Å; E362-R365 IonicContact OE1-NH2 3.99Å; E362-R365 PolarHBondContact OE1-NH2 3.33Å; E362-R365 IonicContact OE2-CZ 3.49Å; E362-R365 IonicContact OE2-NH1 3.22Å; E362-R365 PolarHBondContact OE2-NH1 3.34Å; G363-R365 VanDerWaalsContact C-N 3.33Å; G363-R365 PolarHBondContact O-N 3.47Å; R365-M368 PolarHBondContact O-N 3.37Å; R365-S369 PolarHBondContact O-N 2.79Å; R365-S369 VanDerWaalsContact O-N 3.07Å |
| 366 | Y | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 25.9 Ų | 25.9 | 14% | 0.141 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 178.1 | -171.9 | -103.9 | 0 | 0 | 0 | 111.6 | W317 Q318 M331 L334 N335 E362 G363 M368 S369 Q370 | W317-Y366 HydrophobicContact CE3-CD1 4.45Å; W317-Y366 AromaticContact CH2-CD1 3.91Å; W317-Y366 HydrophobicContact CH2-CD1 3.91Å; W317-Y366 AromaticContact CZ3-CD1 3.51Å; W317-Y366 HydrophobicContact CZ3-CD1 3.51Å; W317-Y366 HydrophobicContact CZ3-CE1 4.3Å; W317-Y366 AromaticContact CZ3-CG 3.93Å; W317-Y366 HydrophobicContact CZ3-CG 3.93Å; Q318-Y366 HydrophobicContact CB-CD2 4.31Å; Q318-Y366 HydrophobicContact CB-CE1 4.09Å; Q318-Y366 HydrophobicContact CB-CE2 3.76Å; Q318-Y366 HydrophobicContact CG-CD1 4.05Å; Q318-Y366 HydrophobicContact CG-CD2 3.6Å; Q318-Y366 HydrophobicContact CG-CE1 4.04Å; Q318-Y366 HydrophobicContact CG-CE2 3.58Å; Q318-Y366 HydrophobicContact CG-CG 3.83Å; Q318-Y366 PolarHBondContact O-OH 2.76Å; Q318-Y366 VanDerWaalsContact O-OH 3.05Å; M331-Y366 HydrophobicContact CE-CD1 3.94Å; M331-Y366 HydrophobicContact CE-CE1 3.53Å; L334-Y366 HydrophobicContact CD2-CD1 4.39Å; L334-Y366 HydrophobicContact CD2-CE1 4.19Å; N335-Y366 PolarHBondContact ND2-OH 3.28Å; N335-Y366 PolarHBondContact OD1-OH 3.06Å; E362-Y366 PolarHBondContact O-N 3.08Å; E362-Y366 VanDerWaalsContact O-N 3.09Å; G363-Y366 PolarHBondContact O-N 2.95Å; Y366-M368 PolarHBondContact O-N 3.46Å; Y366-S369 PolarHBondContact O-N 3.15Å; Y366-S369 PolarHBondContact O-OG 2.88Å; Y366-Q370 HydrophobicContact CD1-CG 4.41Å; Y366-Q370 HydrophobicContact CE1-CG 4.02Å; Y366-Q370 HydrophobicContact CE2-CG 4.4Å; Y366-Q370 WeakPolarHBondContact O-CG 3.44Å; Y366-Q370 PolarHBondContact O-N 3.33Å |
| 367 | F | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.5 | -49 | 174.8 | -95.6 | 32.8 | 0 | 0 | 0 | 111 | W317 M331 L334 M340 R345 G363 E364 S369 Q370 L371 N379 W383 | W317-F367 AromaticContact CH2-CD1 3.93Å; W317-F367 HydrophobicContact CH2-CD1 3.93Å; W317-F367 AromaticContact CH2-CE1 3.77Å; W317-F367 HydrophobicContact CH2-CE1 3.77Å; W317-F367 HydrophobicContact CZ2-CD1 4.43Å; W317-F367 AromaticContact CZ2-CE1 3.82Å; W317-F367 HydrophobicContact CZ2-CE1 3.82Å; M331-F367 HydrophobicContact SD-CE1 4.46Å; L334-F367 HydrophobicContact CD2-CD1 3.72Å; L334-F367 HydrophobicContact CD2-CE1 3.72Å; M340-F367 HydrophobicContact CE-CE1 3.89Å; M340-F367 HydrophobicContact CE-CZ 3.75Å; M340-F367 HydrophobicContact SD-CZ 3.97Å; R345-F367 HydrophobicContact CB-CE2 3.97Å; R345-F367 HydrophobicContact CB-CZ 4.46Å; R345-F367 HydrophobicContact CG-CE2 3.87Å; R345-F367 HydrophobicContact CG-CZ 4.39Å; G363-F367 WeakPolarHBondContact O-CB 3.4Å; G363-F367 PolarHBondContact O-N 2.95Å; E364-F367 PolarHBondContact O-N 3.28Å; F367-S369 VanDerWaalsContact C-N 3.27Å; F367-S369 PolarHBondContact O-N 2.81Å; F367-Q370 PolarHBondContact O-N 3.32Å; F367-Q370 VanDerWaalsContact O-N 3.08Å; F367-L371 HydrophobicContact CB-CD1 3.78Å; F367-L371 HydrophobicContact CB-CG 4.38Å; F367-L371 HydrophobicContact CD2-CD1 3.87Å; F367-L371 HydrophobicContact CG-CD1 4.07Å; F367-L371 VanDerWaalsContact O-CB 3.27Å; F367-L371 WeakPolarHBondContact O-CB 3.25Å; F367-L371 WeakPolarHBondContact O-CG 3.31Å; F367-L371 PolarHBondContact O-N 2.82Å; F367-N379 WeakPolarHBondContact CB-OD1 3.46Å; F367-W383 HydrophobicContact CB-CZ2 4.46Å; F367-W383 AromaticContact CD1-CZ2 3.73Å; F367-W383 HydrophobicContact CD1-CZ2 3.73Å; F367-W383 AromaticContact CD2-CE2 3.92Å; F367-W383 AromaticContact CD2-CZ2 3.97Å; F367-W383 HydrophobicContact CD2-CZ2 3.97Å; F367-W383 AromaticContact CD2-NE1 3.33Å; F367-W383 VanDerWaalsContact CD2-NE1 3.33Å; F367-W383 AromaticContact CE1-CZ2 3.86Å; F367-W383 HydrophobicContact CE1-CZ2 3.86Å; F367-W383 HydrophobicContact CE2-CZ2 4.09Å; F367-W383 AromaticContact CG-CE2 3.98Å; F367-W383 AromaticContact CG-CZ2 3.79Å; F367-W383 HydrophobicContact CG-CZ2 3.79Å; F367-W383 AromaticContact CG-NE1 3.52Å; F367-W383 HydrophobicContact CZ-CZ2 4.04Å |
| 368 | M | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 24 Ų | 24 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -41.1 | 178.7 | -165.6 | 60.1 | 74.1 | 0 | 0 | 112.2 | H45 N46 S48 E364 R365 Y366 Q370 G374 N379 | H45-M368 WeakPolarHBondContact O-CG 3.29Å; N46-M368 HydrophobicContact CB-CB 4.16Å; N46-M368 HydrophobicContact CB-CG 4.06Å; N46-M368 CarbonylContact O-C 3.48Å; S48-M368 PolarHBondContact N-O 2.79Å; E364-M368 PolarHBondContact O-N 3.01Å; R365-M368 PolarHBondContact O-N 3.37Å; Y366-M368 PolarHBondContact O-N 3.46Å; M368-Q370 PolarHBondContact O-N 2.81Å; M368-G374 VanDerWaalsContact SD-CA 3.56Å; M368-N379 HydrophobicContact CE-CB 3.9Å |
| 369 | S | 98.8 | Very high | 98.7 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -19.3 | 179.4 | 77.7 | 0 | 0 | 0 | 0 | 115.2 | N46 S48 P49 R365 Y366 F367 | N46-S369 VanDerWaalsContact O-CA 3.29Å; N46-S369 WeakPolarHBondContact O-CA 3.39Å; N46-S369 PolarHBondContact O-N 2.86Å; S48-S369 WeakPolarHBondContact CA-O 3.46Å; P49-S369 WeakPolarHBondContact CD-O 3.4Å; R365-S369 PolarHBondContact O-N 2.79Å; R365-S369 VanDerWaalsContact O-N 3.07Å; Y366-S369 PolarHBondContact O-N 3.15Å; Y366-S369 PolarHBondContact O-OG 2.88Å; F367-S369 VanDerWaalsContact C-N 3.27Å; F367-S369 PolarHBondContact O-N 2.81Å |
| 370 | Q | 98.9 | Very high | 98.7 | Very high | 41 Ų | 41 | 23 Ų | 23 | 19% | 0.192 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -108.4 | -37.5 | -177.1 | -60.6 | -53.5 | -47.2 | 0 | 0 | 112.2 | S48 L334 G338 Y366 F367 M368 I372 | S48-Q370 VanDerWaalsContact OG-C 3.3Å; S48-Q370 PolarHBondContact OG-O 2.98Å; L334-Q370 HydrophobicContact CD1-CB 3.72Å; L334-Q370 HydrophobicContact CD2-CB 4.13Å; L334-Q370 HydrophobicContact CD2-CG 4.37Å; L334-Q370 HydrophobicContact CG-CB 3.78Å; L334-Q370 HydrophobicContact CG-CG 4.31Å; G338-Q370 VanDerWaalsContact CA-O 3.3Å; G338-Q370 WeakPolarHBondContact CA-O 3.47Å; Y366-Q370 HydrophobicContact CD1-CG 4.41Å; Y366-Q370 HydrophobicContact CE1-CG 4.02Å; Y366-Q370 HydrophobicContact CE2-CG 4.4Å; Y366-Q370 WeakPolarHBondContact O-CG 3.44Å; Y366-Q370 PolarHBondContact O-N 3.33Å; F367-Q370 PolarHBondContact O-N 3.32Å; F367-Q370 VanDerWaalsContact O-N 3.08Å; M368-Q370 PolarHBondContact O-N 2.81Å; Q370-I372 PolarHBondContact O-N 2.89Å |
| 371 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | trans | -68.7 | 122.4 | -167.7 | -73.5 | 172 | 0 | 0 | 0 | 113.1 | S48 L334 G338 F367 D373 G374 | S48-L371 WeakPolarHBondContact CB-O 3.3Å; L334-L371 HydrophobicContact CD1-CD2 3.46Å; L334-L371 VanDerWaalsContact CD1-CD2 3.46Å; L334-L371 HydrophobicContact CD1-CG 3.97Å; G338-L371 CarbonylContact O-C 3.6Å; G338-L371 VanDerWaalsContact O-CA 3.25Å; G338-L371 WeakPolarHBondContact O-CA 3.43Å; F367-L371 HydrophobicContact CB-CD1 3.78Å; F367-L371 HydrophobicContact CB-CG 4.38Å; F367-L371 HydrophobicContact CD2-CD1 3.87Å; F367-L371 HydrophobicContact CG-CD1 4.07Å; F367-L371 VanDerWaalsContact O-CB 3.27Å; F367-L371 WeakPolarHBondContact O-CB 3.25Å; F367-L371 WeakPolarHBondContact O-CG 3.31Å; F367-L371 PolarHBondContact O-N 2.82Å; L371-D373 PolarHBondContact O-N 3.41Å; L371-G374 PolarHBondContact O-N 3.28Å; L371-G374 VanDerWaalsContact O-N 3.15Å | ||
| 372 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -28.6 | 168.8 | -166 | 174.5 | 0 | 0 | 0 | 111.4 | R50 Q51 L54 F196 F201 A240 G338 W339 Q370 | R50-I372 HydrophobicContact CB-CB 4.23Å; R50-I372 HydrophobicContact CB-CG1 4.25Å; Q51-I372 WeakPolarHBondContact CG-O 3.34Å; Q51-I372 PolarHBondContact NE2-O 3.15Å; L54-I372 HydrophobicContact CB-CD1 4.49Å; L54-I372 HydrophobicContact CB-CG1 4.46Å; L54-I372 HydrophobicContact CD2-CD1 4.26Å; L54-I372 HydrophobicContact CD2-CG1 4.08Å; F196-I372 HydrophobicContact CB-CD1 4.02Å; F196-I372 HydrophobicContact CD1-CD1 3.75Å; F196-I372 HydrophobicContact CD2-CD1 3.67Å; F196-I372 HydrophobicContact CE1-CD1 4.11Å; F196-I372 HydrophobicContact CE2-CD1 4.04Å; F196-I372 HydrophobicContact CG-CD1 3.52Å; F196-I372 HydrophobicContact CZ-CD1 4.25Å; F201-I372 HydrophobicContact CB-CD1 3.95Å; F201-I372 HydrophobicContact CD1-CG2 4.34Å; F201-I372 HydrophobicContact CD2-CD1 3.95Å; F201-I372 HydrophobicContact CD2-CG2 4.47Å; F201-I372 HydrophobicContact CE1-CG2 4.15Å; F201-I372 HydrophobicContact CE2-CG2 4.28Å; F201-I372 HydrophobicContact CG-CD1 3.89Å; F201-I372 HydrophobicContact CG-CG2 4.5Å; F201-I372 HydrophobicContact CZ-CG2 4.13Å; A240-I372 HydrophobicContact CB-CD1 4.44Å; A240-I372 HydrophobicContact CB-CG1 4.21Å; A240-I372 HydrophobicContact CB-CG2 4.14Å; G338-I372 WeakPolarHBondContact O-CG2 3.21Å; G338-I372 PolarHBondContact O-N 3.35Å; W339-I372 HydrophobicContact CB-CG2 4.36Å; Q370-I372 PolarHBondContact O-N 2.89Å |
| 373 | D | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 27.2 | 175.3 | 65.3 | 16 | 0 | 0 | 0 | 113.3 | S239 A240 W339 R345 L371 D375 | S239-D373 VanDerWaalsContact CB-OD2 3.24Å; S239-D373 WeakPolarHBondContact CB-OD2 3.44Å; S239-D373 PolarHBondContact OG-OD2 2.88Å; A240-D373 HydrophobicContact CB-CB 4.44Å; W339-D373 PolarHBondContact NE1-OD2 2.97Å; R345-D373 IonicContact CZ-OD1 3.41Å; R345-D373 IonicContact CZ-OD2 2.96Å; R345-D373 IonicContact NH1-OD1 3.71Å; R345-D373 PolarHBondContact NH1-OD1 3.31Å; R345-D373 IonicContact NH1-OD2 2.67Å; R345-D373 VanDerWaalsContact NH2-CG 3.28Å; R345-D373 IonicContact NH2-OD1 2.75Å; R345-D373 PolarHBondContact NH2-OD1 2.94Å; R345-D373 IonicContact NH2-OD2 3.48Å; R345-D373 PolarHBondContact NH2-OD2 3.14Å; L371-D373 PolarHBondContact O-N 3.41Å; D373-D375 PolarHBondContact O-N 2.87Å; D373-D375 VanDerWaalsContact O-N 3.1Å |
| 374 | G | 98.7 | Very high | 98.6 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 9% | 0.093 | 12% | 0.12 | C | C | . | . | trans | -54.2 | 114.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q51 M368 L371 | Q51-G374 PolarHBondContact NE2-O 3.05Å; M368-G374 VanDerWaalsContact SD-CA 3.56Å; L371-G374 PolarHBondContact O-N 3.28Å; L371-G374 VanDerWaalsContact O-N 3.15Å | ||
| 375 | D | 98.7 | Very high | 98.5 | Very high | 16 Ų | 16 | 23 Ų | 23 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | trans | -139.5 | 127.2 | -179.7 | 172 | -86.1 | 0 | 0 | 0 | 107.8 | A243 R283 D373 A377 A378 N379 | A243-D375 HydrophobicContact CB-CB 4.35Å; R283-D375 IonicContact CZ-OD2 3.98Å; R283-D375 IonicContact NE-OD2 3.98Å; R283-D375 IonicContact NH2-OD2 3.49Å; R283-D375 PolarHBondContact NH2-OD2 3.26Å; D373-D375 PolarHBondContact O-N 2.87Å; D373-D375 VanDerWaalsContact O-N 3.1Å; D375-A377 PolarHBondContact O-N 2.96Å; D375-A377 WeakPolarHBondContact OD1-CB 3.38Å; D375-A377 PolarHBondContact OD1-N 2.8Å; D375-A377 VanDerWaalsContact OD1-N 3.14Å; D375-A378 HydrophobicContact CB-CB 4.23Å; D375-A378 WeakPolarHBondContact OD1-CB 3.32Å; D375-A378 PolarHBondContact OD1-N 2.98Å; D375-N379 WeakPolarHBondContact O-CB 3.49Å; D375-N379 PolarHBondContact O-N 2.84Å | ||
| 376 | L | 98.6 | Very high | 98.5 | Very high | 45 Ų | 45 | 18.3 Ų | 18.3 | 24% | 0.236 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | -171.7 | -179.2 | 60.1 | 0 | 0 | 0 | 111.8 | E107 M286 C293 N380 | E107-L376 HydrophobicContact CB-CD2 4.21Å; E107-L376 HydrophobicContact CG-CB 4.03Å; E107-L376 HydrophobicContact CG-CD2 3.79Å; E107-L376 HydrophobicContact CG-CG 4.5Å; M286-L376 HydrophobicContact SD-CB 4.36Å; M286-L376 HydrophobicContact SD-CD2 3.91Å; M286-L376 HydrophobicContact SD-CG 3.9Å; C293-L376 HydrophobicContact CB-CD2 3.98Å; L376-N380 HydrophobicContact CD1-CB 4.47Å; L376-N380 WeakPolarHBondContact O-CB 3.26Å; L376-N380 PolarHBondContact O-N 3.19Å |
| 377 | A | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 17 Ų | 17 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.2 | -49.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R283 M286 D375 G381 | R283-A377 HydrophobicContact CG-CB 3.89Å; M286-A377 HydrophobicContact CE-CB 3.79Å; M286-A377 HydrophobicContact SD-CB 4.11Å; D375-A377 PolarHBondContact O-N 2.96Å; D375-A377 WeakPolarHBondContact OD1-CB 3.38Å; D375-A377 PolarHBondContact OD1-N 2.8Å; D375-A377 VanDerWaalsContact OD1-N 3.14Å; A377-G381 PolarHBondContact O-N 3.03Å |
| 378 | A | 98 | Very high | 98.4 | Very high | 45 Ų | 45 | 17.2 Ų | 17.2 | 37% | 0.372 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -70.9 | -41.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D375 G382 | D375-A378 HydrophobicContact CB-CB 4.23Å; D375-A378 WeakPolarHBondContact OD1-CB 3.32Å; D375-A378 PolarHBondContact OD1-N 2.98Å; A378-G382 PolarHBondContact O-N 3.21Å |
| 379 | N | 98.5 | Very high | 98.4 | Very high | 11 Ų | 11 | 16.2 Ų | 16.2 | 6% | 0.059 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.4 | -51.5 | 178.9 | -167.7 | 49.5 | 0 | 0 | 0 | 110.5 | E364 F367 M368 D375 G381 G382 W383 | E364-N379 WeakPolarHBondContact CG-ND2 3.19Å; E364-N379 PolarHBondContact O-ND2 3.26Å; F367-N379 WeakPolarHBondContact CB-OD1 3.46Å; M368-N379 HydrophobicContact CE-CB 3.9Å; D375-N379 WeakPolarHBondContact O-CB 3.49Å; D375-N379 PolarHBondContact O-N 2.84Å; N379-G381 PolarHBondContact O-N 3.33Å; N379-G382 PolarHBondContact O-N 3.26Å; N379-W383 PolarHBondContact O-N 3.08Å; N379-W383 PolarHBondContact OD1-NE1 3.15Å |
| 380 | N | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 177.3 | -172.8 | -97.8 | 0 | 0 | 0 | 111.2 | E364 L376 G382 W383 Q384 | E364-N380 VanDerWaalsContact OE1-CA 3.3Å; E364-N380 WeakPolarHBondContact OE1-CA 3.42Å; E364-N380 WeakPolarHBondContact OE1-CB 3.38Å; E364-N380 PolarHBondContact OE1-ND2 3.41Å; L376-N380 HydrophobicContact CD1-CB 4.47Å; L376-N380 WeakPolarHBondContact O-CB 3.26Å; L376-N380 PolarHBondContact O-N 3.19Å; N380-G382 PolarHBondContact O-N 3.34Å; N380-W383 PolarHBondContact O-N 3.12Å; N380-Q384 WeakPolarHBondContact O-CB 3.43Å; N380-Q384 WeakPolarHBondContact O-CG 3.5Å; N380-Q384 PolarHBondContact O-N 2.93Å; N380-Q384 PolarHBondContact OD1-NE2 3.19Å |
| 381 | G | 97.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 13.6 Ų | 13.6 | 9% | 0.093 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A377 N379 W385 | A377-G381 PolarHBondContact O-N 3.03Å; N379-G381 PolarHBondContact O-N 3.33Å; G381-W385 VanDerWaalsContact O-CB 3.26Å; G381-W385 WeakPolarHBondContact O-CB 3.29Å; G381-W385 PolarHBondContact O-N 3.17Å |
| 382 | G | 97.7 | Very high | 97.4 | Very high | 33 Ų | 33 | 16.7 Ų | 16.7 | 34% | 0.34 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A378 N379 N380 W385 A386 | A378-G382 PolarHBondContact O-N 3.21Å; N379-G382 PolarHBondContact O-N 3.26Å; N380-G382 PolarHBondContact O-N 3.34Å; G382-W385 PolarHBondContact O-N 3.18Å; G382-A386 PolarHBondContact O-N 2.7Å; G382-A386 VanDerWaalsContact O-N 3.08Å |
| 383 | W | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.5 | -46.3 | 176.7 | -84.4 | 98.7 | 0 | 0 | 0 | 112.2 | W317 A349 L352 V353 W360 G363 E364 F367 N379 N380 W385 A386 A387 | W317-W383 AromaticContact CH2-CH2 3.84Å; W317-W383 HydrophobicContact CH2-CH2 3.84Å; W317-W383 AromaticContact CH2-CZ2 3.98Å; W317-W383 HydrophobicContact CH2-CZ2 3.98Å; W317-W383 AromaticContact CZ2-CH2 3.75Å; W317-W383 HydrophobicContact CZ2-CH2 3.75Å; W317-W383 HydrophobicContact CZ2-CZ2 4.15Å; A349-W383 HydrophobicContact CB-CD2 4.26Å; A349-W383 HydrophobicContact CB-CE3 3.86Å; A349-W383 HydrophobicContact CB-CH2 3.77Å; A349-W383 HydrophobicContact CB-CZ2 4.18Å; A349-W383 HydrophobicContact CB-CZ3 3.6Å; L352-W383 HydrophobicContact CB-CH2 4.42Å; L352-W383 HydrophobicContact CB-CZ3 4.37Å; L352-W383 HydrophobicContact CD2-CH2 3.62Å; L352-W383 HydrophobicContact CD2-CZ3 3.72Å; V353-W383 HydrophobicContact CG2-CE3 4.29Å; V353-W383 HydrophobicContact CG2-CZ3 4.01Å; W360-W383 HydrophobicContact CB-CE3 4.08Å; W360-W383 HydrophobicContact CE3-CB 4.11Å; G363-W383 VanDerWaalsContact CA-CZ2 3.41Å; G363-W383 VanDerWaalsContact O-CZ2 3.23Å; G363-W383 WeakPolarHBondContact O-CZ2 3.38Å; E364-W383 VanDerWaalsContact CA-CD1 3.49Å; E364-W383 HydrophobicContact CB-CB 4.37Å; E364-W383 HydrophobicContact CB-CD2 4.34Å; E364-W383 HydrophobicContact CB-CG 3.89Å; E364-W383 HydrophobicContact CG-CG 4.44Å; E364-W383 VanDerWaalsContact N-CE2 3.35Å; F367-W383 HydrophobicContact CB-CZ2 4.46Å; F367-W383 AromaticContact CD1-CZ2 3.73Å; F367-W383 HydrophobicContact CD1-CZ2 3.73Å; F367-W383 AromaticContact CD2-CE2 3.92Å; F367-W383 AromaticContact CD2-CZ2 3.97Å; F367-W383 HydrophobicContact CD2-CZ2 3.97Å; F367-W383 AromaticContact CD2-NE1 3.33Å; F367-W383 VanDerWaalsContact CD2-NE1 3.33Å; F367-W383 AromaticContact CE1-CZ2 3.86Å; F367-W383 HydrophobicContact CE1-CZ2 3.86Å; F367-W383 HydrophobicContact CE2-CZ2 4.09Å; F367-W383 AromaticContact CG-CE2 3.98Å; F367-W383 AromaticContact CG-CZ2 3.79Å; F367-W383 HydrophobicContact CG-CZ2 3.79Å; F367-W383 AromaticContact CG-NE1 3.52Å; F367-W383 HydrophobicContact CZ-CZ2 4.04Å; N379-W383 PolarHBondContact O-N 3.08Å; N379-W383 PolarHBondContact OD1-NE1 3.15Å; N380-W383 PolarHBondContact O-N 3.12Å; W383-W385 VanDerWaalsContact C-N 3.28Å; W383-W385 PolarHBondContact O-N 2.78Å; W383-A386 PolarHBondContact O-N 2.9Å; W383-A387 WeakPolarHBondContact O-CB 3.23Å; W383-A387 PolarHBondContact O-N 3.08Å |
| 384 | Q | 98.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.7 | -30.9 | 177.7 | -69 | -150.2 | 42.8 | 0 | 0 | 112.6 | L292 C296 W360 N380 S388 T389 G390 | L292-Q384 VanDerWaalsContact CD2-NE2 3.3Å; C296-Q384 PolarHBondContact O-NE2 2.79Å; W360-Q384 HydrophobicContact CE3-CG 4.28Å; W360-Q384 HydrophobicContact CH2-CG 3.88Å; W360-Q384 HydrophobicContact CZ2-CG 4.27Å; W360-Q384 HydrophobicContact CZ3-CG 3.89Å; N380-Q384 WeakPolarHBondContact O-CB 3.43Å; N380-Q384 WeakPolarHBondContact O-CG 3.5Å; N380-Q384 PolarHBondContact O-N 2.93Å; N380-Q384 PolarHBondContact OD1-NE2 3.19Å; Q384-S388 PolarHBondContact O-N 3.47Å; Q384-S388 VanDerWaalsContact O-N 3.12Å; Q384-T389 VanDerWaalsContact CA-OG1 3.32Å; Q384-T389 WeakPolarHBondContact CA-OG1 3.28Å; Q384-T389 WeakPolarHBondContact CB-OG1 3.46Å; Q384-T389 WeakPolarHBondContact CG-OG1 3.34Å; Q384-T389 PolarHBondContact O-N 3.49Å; Q384-T389 PolarHBondContact OE1-O 2.77Å; Q384-T389 VanDerWaalsContact OE1-O 3.13Å; Q384-T389 PolarHBondContact OE1-OG1 2.74Å; Q384-G390 PolarHBondContact O-N 3.44Å; Q384-G390 VanDerWaalsContact O-N 3.08Å |
| 385 | W | 98 | Very high | 96.7 | Very high | 55 Ų | 55 | 20.4 Ų | 20.4 | 21% | 0.208 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -49.1 | 171.1 | 176.9 | 91.2 | 0 | 0 | 0 | 111.6 | M346 G381 G382 W383 S388 A394 F400 | M346-W385 HydrophobicContact CB-CZ3 4Å; M346-W385 HydrophobicContact CE-CE3 4.49Å; M346-W385 HydrophobicContact CE-CH2 3.13Å; M346-W385 HydrophobicContact CE-CZ2 3.76Å; M346-W385 HydrophobicContact CE-CZ3 3.55Å; M346-W385 HydrophobicContact CG-CH2 4.47Å; M346-W385 HydrophobicContact CG-CZ3 3.91Å; G381-W385 VanDerWaalsContact O-CB 3.26Å; G381-W385 WeakPolarHBondContact O-CB 3.29Å; G381-W385 PolarHBondContact O-N 3.17Å; G382-W385 PolarHBondContact O-N 3.18Å; W383-W385 VanDerWaalsContact C-N 3.28Å; W383-W385 PolarHBondContact O-N 2.78Å; W385-S388 PolarHBondContact O-N 2.92Å; W385-A394 HydrophobicContact CH2-CB 4.29Å; W385-A394 HydrophobicContact CZ2-CB 4.02Å; W385-A394 WeakPolarHBondContact O-CB 3.32Å; W385-A394 PolarHBondContact O-N 3.22Å; W385-F400 HydrophobicContact CH2-CE1 4.44Å; W385-F400 AromaticContact CH2-CZ 3.88Å; W385-F400 HydrophobicContact CH2-CZ 3.88Å |
| 386 | A | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.5 | -41.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A349 K354 G382 W383 S388 | A349-A386 HydrophobicContact CB-CB 3.68Å; K354-A386 WeakPolarHBondContact CE-O 3.47Å; K354-A386 PolarHBondContact NZ-O 3.05Å; K354-A386 VanDerWaalsContact NZ-O 3.07Å; G382-A386 PolarHBondContact O-N 2.7Å; G382-A386 VanDerWaalsContact O-N 3.08Å; W383-A386 PolarHBondContact O-N 2.9Å; A386-S388 PolarHBondContact O-N 3.14Å |
| 387 | A | 98.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.9 | -7.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V353 W360 W383 T389 | V353-A387 HydrophobicContact CG1-CB 3.82Å; V353-A387 HydrophobicContact CG2-CB 4.29Å; W360-A387 HydrophobicContact CB-CB 3.64Å; W360-A387 HydrophobicContact CG-CB 3.79Å; W383-A387 WeakPolarHBondContact O-CB 3.23Å; W383-A387 PolarHBondContact O-N 3.08Å; A387-T389 HydrophobicContact CB-CG2 3.86Å; A387-T389 PolarHBondContact O-N 3.29Å |
| 388 | S | 98.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 26.7 | -177.2 | -39.4 | 0 | 0 | 0 | 0 | 113 | K354 Q384 W385 A386 A394 Y396 | K354-S388 VanDerWaalsContact CE-OG 3.31Å; K354-S388 WeakPolarHBondContact CE-OG 3.3Å; K354-S388 PolarHBondContact NZ-OG 3.26Å; Q384-S388 PolarHBondContact O-N 3.47Å; Q384-S388 VanDerWaalsContact O-N 3.12Å; W385-S388 PolarHBondContact O-N 2.92Å; A386-S388 PolarHBondContact O-N 3.14Å; S388-A394 WeakPolarHBondContact CA-O 3.45Å; S388-A394 WeakPolarHBondContact CB-O 3.3Å; S388-A394 PolarHBondContact OG-O 2.98Å; S388-Y396 WeakPolarHBondContact OG-CA 3.44Å |
| 389 | T | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -108 | -12.3 | -177.6 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | F298 I299 T302 Q384 A387 | F298-T389 WeakPolarHBondContact CB-O 3.18Å; F298-T389 PolarHBondContact N-O 3Å; I299-T389 WeakPolarHBondContact CG1-O 3.35Å; I299-T389 PolarHBondContact N-O 3.21Å; T302-T389 HydrophobicContact CG2-CG2 3.98Å; T302-T389 VanDerWaalsContact OG1-CG2 3.28Å; T302-T389 WeakPolarHBondContact OG1-CG2 3.38Å; Q384-T389 VanDerWaalsContact CA-OG1 3.32Å; Q384-T389 WeakPolarHBondContact CA-OG1 3.28Å; Q384-T389 WeakPolarHBondContact CB-OG1 3.46Å; Q384-T389 WeakPolarHBondContact CG-OG1 3.34Å; Q384-T389 PolarHBondContact O-N 3.49Å; Q384-T389 PolarHBondContact OE1-O 2.77Å; Q384-T389 VanDerWaalsContact OE1-O 3.13Å; Q384-T389 PolarHBondContact OE1-OG1 2.74Å; A387-T389 HydrophobicContact CB-CG2 3.86Å; A387-T389 PolarHBondContact O-N 3.29Å | ||
| 390 | G | 95.7 | Very high | 96 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -97.2 | -172.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I299 Q384 | I299-G390 WeakPolarHBondContact CD1-O 3.47Å; Q384-G390 PolarHBondContact O-N 3.44Å; Q384-G390 VanDerWaalsContact O-N 3.08Å |
| 391 | T | 89.6 | Confident | 96 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 136.5 | 167.2 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | K149 L285 F298 A393 | K149-T391 HydrophobicContact CB-CG2 4.47Å; K149-T391 WeakPolarHBondContact O-CB 3.43Å; L285-T391 HydrophobicContact CD1-CG2 3.8Å; L285-T391 HydrophobicContact CD2-CG2 3.58Å; L285-T391 WeakPolarHBondContact CD2-OG1 3.47Å; L285-T391 HydrophobicContact CG-CG2 4.29Å; F298-T391 HydrophobicContact CD1-CG2 3.57Å; F298-T391 HydrophobicContact CD2-CG2 3.57Å; F298-T391 HydrophobicContact CE1-CG2 3.49Å; F298-T391 VanDerWaalsContact CE1-CG2 3.49Å; F298-T391 HydrophobicContact CE2-CG2 3.47Å; F298-T391 VanDerWaalsContact CE2-CG2 3.47Å; F298-T391 HydrophobicContact CG-CG2 3.62Å; F298-T391 HydrophobicContact CZ-CG2 3.43Å; F298-T391 VanDerWaalsContact CZ-CG2 3.43Å; T391-A393 PolarHBondContact O-N 2.84Å; T391-A393 VanDerWaalsContact O-N 3.07Å |
| 392 | D | 90.5 | Very high | 96 | Very high | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33.2 | 178.8 | -146 | 13.9 | 0 | 0 | 0 | 113.1 | F151 | F151-D392 VanDerWaalsContact CB-OD2 3.25Å; F151-D392 WeakPolarHBondContact CB-OD2 3.35Å; F151-D392 PolarHBondContact N-OD2 2.87Å |
| 393 | A | 93.2 | Very high | 96 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 162.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T391 | T391-A393 PolarHBondContact O-N 2.84Å; T391-A393 VanDerWaalsContact O-N 3.07Å |
| 394 | A | 93 | Very high | 95.9 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -55.7 | 140.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | W385 S388 | W385-A394 HydrophobicContact CH2-CB 4.29Å; W385-A394 HydrophobicContact CZ2-CB 4.02Å; W385-A394 WeakPolarHBondContact O-CB 3.32Å; W385-A394 PolarHBondContact O-N 3.22Å; S388-A394 WeakPolarHBondContact CA-O 3.45Å; S388-A394 WeakPolarHBondContact CB-O 3.3Å; S388-A394 PolarHBondContact OG-O 2.98Å |
| 395 | P | 95.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 48.3 Ų | 48.3 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 145.2 | 174.9 | -24 | 33.1 | 0 | 0 | 0 | 111.3 | F397 R398 | P395-F397 HydrophobicContact CB-CD1 4.03Å; P395-F397 HydrophobicContact CB-CD2 4.31Å; P395-F397 HydrophobicContact CB-CE1 3.56Å; P395-F397 HydrophobicContact CB-CE2 3.87Å; P395-F397 HydrophobicContact CB-CG 4.38Å; P395-F397 HydrophobicContact CB-CZ 3.47Å; P395-F397 VanDerWaalsContact CB-CZ 3.47Å; P395-F397 HydrophobicContact CG-CE2 4.43Å; P395-F397 HydrophobicContact CG-CZ 4.06Å; P395-F397 PolarHBondContact O-N 3.36Å; P395-F397 VanDerWaalsContact O-N 3.16Å; P395-R398 HydrophobicContact CB-CB 4.46Å; P395-R398 VanDerWaalsContact O-CB 3.22Å; P395-R398 WeakPolarHBondContact O-CB 3.26Å; P395-R398 PolarHBondContact O-N 3.03Å |
| 396 | Y | 95.3 | Very high | 95.9 | Very high | 158 Ų | 158 | 45.7 Ų | 45.7 | 62% | 0.62 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34.3 | -175.3 | 76 | -87.6 | 0 | 0 | 0 | 113.2 | S388 R398 | S388-Y396 WeakPolarHBondContact OG-CA 3.44Å; Y396-R398 PolarHBondContact O-N 3.47Å |
| 397 | F | 95.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 49.5 Ų | 49.5 | 63% | 0.632 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -6.7 | 177 | 58.3 | -101.8 | 0 | 0 | 0 | 113.8 | P395 I399 | P395-F397 HydrophobicContact CB-CD1 4.03Å; P395-F397 HydrophobicContact CB-CD2 4.31Å; P395-F397 HydrophobicContact CB-CE1 3.56Å; P395-F397 HydrophobicContact CB-CE2 3.87Å; P395-F397 HydrophobicContact CB-CG 4.38Å; P395-F397 HydrophobicContact CB-CZ 3.47Å; P395-F397 VanDerWaalsContact CB-CZ 3.47Å; P395-F397 HydrophobicContact CG-CE2 4.43Å; P395-F397 HydrophobicContact CG-CZ 4.06Å; P395-F397 PolarHBondContact O-N 3.36Å; P395-F397 VanDerWaalsContact O-N 3.16Å; F397-I399 PolarHBondContact O-N 3.24Å; F397-I399 VanDerWaalsContact O-N 3.15Å |
| 398 | R | 96 | Very high | 95.8 | Very high | 141 Ų | 141 | 55.6 Ų | 55.6 | 53% | 0.532 | 27% | 0.271 | S | S | . | . | trans | -83.9 | 89 | 177.8 | -172.8 | 65.7 | 177.9 | -170.4 | 0.1 | 109.7 | K354 P395 Y396 F400 | K354-R398 WeakPolarHBondContact CD-O 3.19Å; K354-R398 PolarHBondContact NZ-O 2.91Å; P395-R398 HydrophobicContact CB-CB 4.46Å; P395-R398 VanDerWaalsContact O-CB 3.22Å; P395-R398 WeakPolarHBondContact O-CB 3.26Å; P395-R398 PolarHBondContact O-N 3.03Å; Y396-R398 PolarHBondContact O-N 3.47Å; R398-F400 HydrophobicContact CG-CD1 4.23Å; R398-F400 HydrophobicContact CG-CE1 3.88Å | ||
| 399 | I | 96.3 | Very high | 95.8 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | trans | -96.1 | 123.2 | 174.4 | -53.7 | 178.2 | 0 | 0 | 0 | 108.6 | K354 F397 N401 | K354-I399 HydrophobicContact CB-CG1 4.25Å; K354-I399 HydrophobicContact CB-CG2 4Å; K354-I399 HydrophobicContact CD-CG1 4.29Å; F397-I399 PolarHBondContact O-N 3.24Å; F397-I399 VanDerWaalsContact O-N 3.15Å; I399-N401 PolarHBondContact O-N 3.49Å | ||
| 400 | F | 95.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 56 Ų | 56 | 10% | 0.096 | 27% | 0.273 | C | S | . | . | trans | -79.3 | 120.3 | 180 | -79.6 | 35.7 | 0 | 0 | 0 | 108.7 | I347 W385 R398 P402 Q405 | I347-F400 HydrophobicContact CG1-CD2 4.46Å; W385-F400 HydrophobicContact CH2-CE1 4.44Å; W385-F400 AromaticContact CH2-CZ 3.88Å; W385-F400 HydrophobicContact CH2-CZ 3.88Å; R398-F400 HydrophobicContact CG-CD1 4.23Å; R398-F400 HydrophobicContact CG-CE1 3.88Å; F400-P402 VanDerWaalsContact O-CD 3.23Å; F400-P402 WeakPolarHBondContact O-CD 3.48Å; F400-Q405 HydrophobicContact CB-CG 4.16Å; F400-Q405 HydrophobicContact CD2-CG 3.9Å; F400-Q405 VanDerWaalsContact CD2-OE1 3.29Å; F400-Q405 HydrophobicContact CG-CG 4.4Å | ||
| 401 | N | 97.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 62.7 Ų | 62.7 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | trans | -73.1 | 113.1 | 168.4 | -178.6 | -52.8 | 0 | 0 | 0 | 108.9 | I399 T403 T404 Q405 | I399-N401 PolarHBondContact O-N 3.49Å; N401-T403 VanDerWaalsContact C-N 3.3Å; N401-T403 PolarHBondContact O-N 2.9Å; N401-T403 WeakPolarHBondContact OD1-CA 3.31Å; N401-T403 VanDerWaalsContact OD1-CB 3.29Å; N401-T403 WeakPolarHBondContact OD1-CB 3.46Å; N401-T403 PolarHBondContact OD1-N 3.29Å; N401-T404 PolarHBondContact O-N 2.81Å; N401-T404 PolarHBondContact OD1-N 3.41Å; N401-T404 PolarHBondContact OD1-OG1 3.45Å; N401-Q405 VanDerWaalsContact O-CG 3.29Å; N401-Q405 WeakPolarHBondContact O-CG 3.3Å; N401-Q405 PolarHBondContact O-N 3.23Å | ||
| 402 | P | 97.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -37.9 | -175.1 | 24.5 | -35.2 | 0 | 0 | 0 | 112.4 | Y324 I326 V327 F351 F400 Q405 G406 | Y324-P402 HydrophobicContact CD1-CB 4.08Å; Y324-P402 HydrophobicContact CD1-CG 3.35Å; Y324-P402 HydrophobicContact CE1-CG 3.64Å; Y324-P402 HydrophobicContact CG-CG 4.03Å; I326-P402 HydrophobicContact CG2-CB 4.17Å; I326-P402 WeakPolarHBondContact CG2-O 3.28Å; V327-P402 HydrophobicContact CG2-CB 4.04Å; F351-P402 HydrophobicContact CD2-CB 4.33Å; F351-P402 HydrophobicContact CD2-CG 3.99Å; F351-P402 HydrophobicContact CE2-CG 4.15Å; F400-P402 VanDerWaalsContact O-CD 3.23Å; F400-P402 WeakPolarHBondContact O-CD 3.48Å; P402-Q405 PolarHBondContact O-N 3.33Å; P402-G406 PolarHBondContact O-N 3.49Å |
| 403 | T | 97.3 | Very high | 96.3 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -51.5 | 176.9 | -50.1 | 0 | 0 | 0 | 0 | 111 | N401 Q405 G406 E407 H432 E433 | N401-T403 VanDerWaalsContact C-N 3.3Å; N401-T403 PolarHBondContact O-N 2.9Å; N401-T403 WeakPolarHBondContact OD1-CA 3.31Å; N401-T403 VanDerWaalsContact OD1-CB 3.29Å; N401-T403 WeakPolarHBondContact OD1-CB 3.46Å; N401-T403 PolarHBondContact OD1-N 3.29Å; T403-Q405 VanDerWaalsContact C-N 3.28Å; T403-Q405 PolarHBondContact O-N 2.9Å; T403-G406 PolarHBondContact O-N 3.39Å; T403-G406 VanDerWaalsContact O-N 3.1Å; T403-E407 WeakPolarHBondContact O-CG 3.47Å; T403-E407 PolarHBondContact O-N 3.44Å; T403-H432 HydrophobicContact CG2-CB 4.05Å; T403-E433 HydrophobicContact CG2-CG 3.43Å; T403-E433 VanDerWaalsContact CG2-CG 3.43Å |
| 404 | T | 97.3 | Very high | 96.5 | Very high | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 178.7 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | N401 K408 | N401-T404 PolarHBondContact O-N 2.81Å; N401-T404 PolarHBondContact OD1-N 3.41Å; N401-T404 PolarHBondContact OD1-OG1 3.45Å; T404-K408 WeakPolarHBondContact O-CB 3.38Å; T404-K408 PolarHBondContact O-N 2.76Å |
| 405 | Q | 98 | Very high | 96.8 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 173.8 | -65.7 | -66.1 | -76.7 | 0 | 0 | 111.1 | I347 F400 N401 P402 T403 K408 F409 | I347-Q405 HydrophobicContact CD1-CB 3.66Å; I347-Q405 HydrophobicContact CD1-CG 4.33Å; I347-Q405 HydrophobicContact CG1-CB 3.9Å; I347-Q405 HydrophobicContact CG1-CG 4.04Å; F400-Q405 HydrophobicContact CB-CG 4.16Å; F400-Q405 HydrophobicContact CD2-CG 3.9Å; F400-Q405 VanDerWaalsContact CD2-OE1 3.29Å; F400-Q405 HydrophobicContact CG-CG 4.4Å; N401-Q405 VanDerWaalsContact O-CG 3.29Å; N401-Q405 WeakPolarHBondContact O-CG 3.3Å; N401-Q405 PolarHBondContact O-N 3.23Å; P402-Q405 PolarHBondContact O-N 3.33Å; T403-Q405 VanDerWaalsContact C-N 3.28Å; T403-Q405 PolarHBondContact O-N 2.9Å; Q405-K408 PolarHBondContact O-N 2.84Å; Q405-F409 HydrophobicContact CB-CD2 4.41Å; Q405-F409 WeakPolarHBondContact O-CD2 3.42Å; Q405-F409 PolarHBondContact O-N 2.85Å; Q405-F409 VanDerWaalsContact OE1-CE2 3.32Å |
| 406 | G | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.8 | -52.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P402 T403 K408 F409 D410 H432 | P402-G406 PolarHBondContact O-N 3.49Å; T403-G406 PolarHBondContact O-N 3.39Å; T403-G406 VanDerWaalsContact O-N 3.1Å; G406-K408 PolarHBondContact O-N 3.21Å; G406-K408 VanDerWaalsContact O-N 3.15Å; G406-F409 PolarHBondContact O-N 2.9Å; G406-D410 CarbonylContact O-C 3.56Å; G406-D410 VanDerWaalsContact O-C 3.27Å; G406-D410 WeakPolarHBondContact O-CA 3.46Å; G406-D410 PolarHBondContact O-N 3.08Å; G406-H432 PolarHBondContact O-CE1 2.78Å; G406-H432 VanDerWaalsContact O-CE1 3.24Å |
| 407 | E | 97.1 | Very high | 97 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.6 | -27.3 | -179.9 | -70.1 | 178.5 | 139.9 | 0 | 0 | 113.4 | T403 R411 H432 | T403-E407 WeakPolarHBondContact O-CG 3.47Å; T403-E407 PolarHBondContact O-N 3.44Å; E407-R411 VanDerWaalsContact O-CA 3.31Å; E407-R411 WeakPolarHBondContact O-CA 3.47Å; E407-R411 WeakPolarHBondContact O-CB 3.33Å; E407-H432 HydrophobicContact CG-CB 4.18Å |
| 408 | K | 97.3 | Very high | 97.1 | Very high | 136 Ų | 136 | 58.1 Ų | 58.1 | 59% | 0.591 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -82.4 | -46.5 | 179 | -175.7 | 174.8 | 178.1 | -179.6 | 0 | 112.5 | T404 Q405 G406 | T404-K408 WeakPolarHBondContact O-CB 3.38Å; T404-K408 PolarHBondContact O-N 2.76Å; Q405-K408 PolarHBondContact O-N 2.84Å; G406-K408 PolarHBondContact O-N 3.21Å; G406-K408 VanDerWaalsContact O-N 3.15Å |
| 409 | F | 98 | Very high | 97.2 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -102.5 | -16.9 | -168.4 | -61.4 | -62.3 | 0 | 0 | 0 | 113.9 | D228 F229 P230 R343 Q405 G406 | D228-F409 HydrophobicContact CB-CD1 3.81Å; D228-F409 HydrophobicContact CB-CE1 3.82Å; F229-F409 WeakPolarHBondContact CD1-O 3.42Å; P230-F409 WeakPolarHBondContact CD-O 3.39Å; R343-F409 HydrophobicContact CG-CB 4.24Å; R343-F409 HydrophobicContact CG-CD1 4.4Å; R343-F409 HydrophobicContact CG-CD2 3.85Å; R343-F409 HydrophobicContact CG-CE2 4.31Å; R343-F409 HydrophobicContact CG-CG 3.91Å; Q405-F409 HydrophobicContact CB-CD2 4.41Å; Q405-F409 WeakPolarHBondContact O-CD2 3.42Å; Q405-F409 PolarHBondContact O-N 2.85Å; Q405-F409 VanDerWaalsContact OE1-CE2 3.32Å; G406-F409 PolarHBondContact O-N 2.9Å |
| 410 | D | 97.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -134.1 | 53.4 | 172.5 | -175.7 | 34.6 | 0 | 0 | 0 | 108.9 | I326 G406 E412 G413 E414 F415 I416 H432 | I326-D410 HydrophobicContact CD1-CB 4.13Å; G406-D410 CarbonylContact O-C 3.56Å; G406-D410 VanDerWaalsContact O-C 3.27Å; G406-D410 WeakPolarHBondContact O-CA 3.46Å; G406-D410 PolarHBondContact O-N 3.08Å; D410-E412 PolarHBondContact O-N 2.92Å; D410-E412 VanDerWaalsContact O-N 3.08Å; D410-G413 WeakPolarHBondContact O-CA 3.34Å; D410-G413 PolarHBondContact O-N 3.22Å; D410-G413 VanDerWaalsContact OD2-CA 3.27Å; D410-G413 WeakPolarHBondContact OD2-CA 3.48Å; D410-E414 PolarHBondContact OD1-N 3.23Å; D410-F415 HydrophobicContact CB-CB 4.42Å; D410-F415 PolarHBondContact OD1-N 3.31Å; D410-F415 WeakPolarHBondContact OD2-CB 3.44Å; D410-F415 PolarHBondContact OD2-N 2.78Å; D410-I416 WeakPolarHBondContact OD2-CG1 3.3Å; D410-I416 PolarHBondContact OD2-N 3.17Å; D410-H432 PolarHBondContact O-CE1 2.78Å; D410-H432 PolarHBondContact O-NE2 3.09Å; D410-H432 VanDerWaalsContact O-NE2 3.14Å |
| 411 | R | 95.6 | Very high | 97.4 | Very high | 145 Ų | 145 | 51.7 Ų | 51.7 | 55% | 0.547 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -39.4 | -167.5 | 178.7 | -178.4 | 162.8 | 155 | 1.8 | 114.7 | E407 | E407-R411 VanDerWaalsContact O-CA 3.31Å; E407-R411 WeakPolarHBondContact O-CA 3.47Å; E407-R411 WeakPolarHBondContact O-CB 3.33Å |
| 412 | E | 95.1 | Very high | 97.4 | Very high | 93 Ų | 93 | 53 Ų | 53 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -2.8 | -179.3 | -58.3 | -53.8 | 136.6 | 0 | 0 | 112.2 | D410 E414 R417 | D410-E412 PolarHBondContact O-N 2.92Å; D410-E412 VanDerWaalsContact O-N 3.08Å; E412-E414 HydrophobicContact CB-CG 4.38Å; E412-R417 PolarHBondContact O-NH1 3.46Å |
| 413 | G | 96.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | 70.6 | 28.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | D410 R417 | D410-G413 WeakPolarHBondContact O-CA 3.34Å; D410-G413 PolarHBondContact O-N 3.22Å; D410-G413 VanDerWaalsContact OD2-CA 3.27Å; D410-G413 WeakPolarHBondContact OD2-CA 3.48Å; G413-R417 WeakPolarHBondContact O-CB 3.4Å; G413-R417 WeakPolarHBondContact O-CG 3.31Å; G413-R417 PolarHBondContact O-N 2.96Å; G413-R417 PolarHBondContact O-NH1 2.92Å | ||
| 414 | E | 97 | Very high | 97.3 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -44.9 | -178.7 | -70.9 | -177.1 | -151.1 | 0 | 0 | 110.9 | A231 D410 E412 R418 | A231-E414 HydrophobicContact CB-CB 3.99Å; D410-E414 PolarHBondContact OD1-N 3.23Å; E412-E414 HydrophobicContact CB-CG 4.38Å; E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 PolarHBondContact O-N 2.92Å; E414-R418 VanDerWaalsContact O-N 3.09Å |
| 415 | F | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -46 | 175.6 | 173.6 | -92.7 | 0 | 0 | 0 | 110.5 | P230 A231 I326 A329 Q333 L344 D410 R417 R418 W419 | P230-F415 HydrophobicContact CB-CD2 3.86Å; P230-F415 HydrophobicContact CB-CE2 4.21Å; P230-F415 HydrophobicContact CB-CG 4.03Å; P230-F415 HydrophobicContact CG-CB 4.27Å; P230-F415 HydrophobicContact CG-CD1 4.38Å; P230-F415 HydrophobicContact CG-CD2 4.44Å; P230-F415 HydrophobicContact CG-CG 4.11Å; P230-F415 WeakPolarHBondContact O-CD2 3.41Å; A231-F415 HydrophobicContact CB-CB 4.09Å; I326-F415 HydrophobicContact CD1-CD1 4.06Å; I326-F415 HydrophobicContact CD1-CE1 4.47Å; A329-F415 HydrophobicContact CB-CD1 3.95Å; A329-F415 HydrophobicContact CB-CE1 3.49Å; A329-F415 VanDerWaalsContact CB-CE1 3.49Å; A329-F415 HydrophobicContact CB-CZ 4.37Å; Q333-F415 HydrophobicContact CB-CZ 4.14Å; L344-F415 HydrophobicContact CD1-CD1 4.19Å; L344-F415 HydrophobicContact CD1-CD2 4.46Å; L344-F415 HydrophobicContact CD1-CE1 3.39Å; L344-F415 HydrophobicContact CD1-CE2 3.7Å; L344-F415 HydrophobicContact CD1-CZ 3.12Å; L344-F415 HydrophobicContact CD2-CE1 4.29Å; L344-F415 HydrophobicContact CG-CE1 4.49Å; D410-F415 HydrophobicContact CB-CB 4.42Å; D410-F415 PolarHBondContact OD1-N 3.31Å; D410-F415 WeakPolarHBondContact OD2-CB 3.44Å; D410-F415 PolarHBondContact OD2-N 2.78Å; F415-R417 PolarHBondContact O-N 2.96Å; F415-R418 WeakPolarHBondContact O-CB 3.5Å; F415-R418 PolarHBondContact O-N 3.01Å; F415-W419 AromaticContact CD2-CD1 3.62Å; F415-W419 AromaticContact CD2-NE1 3.7Å; F415-W419 AromaticContact CE1-CD1 3.93Å; F415-W419 AromaticContact CE2-CD1 3.24Å; F415-W419 HydrophobicContact CE2-CG 4.41Å; F415-W419 AromaticContact CE2-NE1 3.15Å; F415-W419 AromaticContact CZ-CD1 3.37Å; F415-W419 HydrophobicContact CZ-CG 4.25Å; F415-W419 AromaticContact CZ-NE1 3.66Å; F415-W419 PolarHBondContact O-N 2.92Å |
| 416 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.5 | -50.8 | 176.9 | -75.6 | 163.4 | 0 | 0 | 0 | 111.4 | P325 I326 A329 D410 R418 W419 L420 L423 V431 H432 | P325-I416 HydrophobicContact CB-CD1 3.98Å; P325-I416 HydrophobicContact CB-CG1 4.22Å; P325-I416 HydrophobicContact CB-CG2 3.88Å; I326-I416 HydrophobicContact CB-CD1 4.33Å; I326-I416 HydrophobicContact CD1-CD1 4.21Å; I326-I416 HydrophobicContact CD1-CG1 4.1Å; A329-I416 HydrophobicContact CB-CG1 4.32Å; D410-I416 WeakPolarHBondContact OD2-CG1 3.3Å; D410-I416 PolarHBondContact OD2-N 3.17Å; I416-R418 VanDerWaalsContact C-N 3.28Å; I416-R418 PolarHBondContact O-N 3.35Å; I416-W419 PolarHBondContact O-N 3.25Å; I416-L420 HydrophobicContact CG2-CD1 4.18Å; I416-L420 WeakPolarHBondContact O-CB 3.39Å; I416-L420 PolarHBondContact O-N 3.17Å; I416-L423 HydrophobicContact CG2-CD1 4.26Å; I416-V431 HydrophobicContact CG2-CG2 3.72Å; I416-H432 VanDerWaalsContact CD1-CE1 3.43Å; I416-H432 WeakPolarHBondContact CD1-CE1 3.42Å; I416-H432 WeakPolarHBondContact CD1-ND1 3.47Å |
| 417 | R | 97.7 | Very high | 96.4 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 18% | 0.177 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -24.2 | -178.2 | -72.1 | -174.7 | -170.2 | 81 | -4.7 | 114 | E412 G413 F415 R424 V426 G428 V431 | E412-R417 PolarHBondContact O-NH1 3.46Å; G413-R417 WeakPolarHBondContact O-CB 3.4Å; G413-R417 WeakPolarHBondContact O-CG 3.31Å; G413-R417 PolarHBondContact O-N 2.96Å; G413-R417 PolarHBondContact O-NH1 2.92Å; F415-R417 PolarHBondContact O-N 2.96Å; R417-R424 HydrophobicContact CB-CG 4.21Å; R417-R424 WeakPolarHBondContact CD-O 3.33Å; R417-R424 PolarHBondContact NE-O 3.4Å; R417-R424 PolarHBondContact O-NE 3.13Å; R417-V426 PolarHBondContact NE-O 3.33Å; R417-V426 PolarHBondContact NH2-O 3.49Å; R417-G428 PolarHBondContact NH2-O 2.91Å; R417-V431 HydrophobicContact CG-CG2 4.29Å |
| 418 | R | 97.6 | Very high | 95.8 | Very high | 122 Ų | 122 | 64.5 Ų | 64.5 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 172.6 | -171.9 | -179.6 | -61.2 | 169.9 | 6.1 | 110.8 | E414 F415 I416 | E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 PolarHBondContact O-N 2.92Å; E414-R418 VanDerWaalsContact O-N 3.09Å; F415-R418 WeakPolarHBondContact O-CB 3.5Å; F415-R418 PolarHBondContact O-N 3.01Å; I416-R418 VanDerWaalsContact C-N 3.28Å; I416-R418 PolarHBondContact O-N 3.35Å |
| 419 | W | 98.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 21% | 0.212 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -98.2 | -18.7 | -172.8 | -69 | 105.6 | 0 | 0 | 0 | 115.1 | A329 R332 Q333 S336 T337 F415 I416 P421 | A329-W419 HydrophobicContact CB-CB 3.8Å; R332-W419 HydrophobicContact CB-CE3 4.27Å; Q333-W419 HydrophobicContact CB-CD2 3.94Å; Q333-W419 HydrophobicContact CB-CE3 4.36Å; Q333-W419 HydrophobicContact CB-CG 4.47Å; Q333-W419 HydrophobicContact CB-CH2 4.31Å; Q333-W419 HydrophobicContact CB-CZ2 3.86Å; Q333-W419 HydrophobicContact CG-CH2 4.2Å; Q333-W419 HydrophobicContact CG-CZ2 3.58Å; S336-W419 WeakPolarHBondContact OG-CH2 3.23Å; S336-W419 WeakPolarHBondContact OG-CZ3 3.3Å; T337-W419 HydrophobicContact CG2-CH2 3.52Å; T337-W419 HydrophobicContact CG2-CZ2 4.16Å; T337-W419 HydrophobicContact CG2-CZ3 4.47Å; F415-W419 AromaticContact CD2-CD1 3.62Å; F415-W419 AromaticContact CD2-NE1 3.7Å; F415-W419 AromaticContact CE1-CD1 3.93Å; F415-W419 AromaticContact CE2-CD1 3.24Å; F415-W419 HydrophobicContact CE2-CG 4.41Å; F415-W419 AromaticContact CE2-NE1 3.15Å; F415-W419 AromaticContact CZ-CD1 3.37Å; F415-W419 HydrophobicContact CZ-CG 4.25Å; F415-W419 AromaticContact CZ-NE1 3.66Å; F415-W419 PolarHBondContact O-N 2.92Å; I416-W419 PolarHBondContact O-N 3.25Å; W419-P421 VanDerWaalsContact C-CD 3.5Å; W419-P421 WeakPolarHBondContact O-CD 3.4Å |
| 420 | L | 98.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | trans | -120 | 76.8 | 175.8 | -54.6 | -177.1 | 0 | 0 | 0 | 109.8 | P325 D328 A329 R332 I416 E422 L423 | P325-L420 HydrophobicContact CB-CD1 4.01Å; P325-L420 WeakPolarHBondContact O-CD1 3.44Å; D328-L420 HydrophobicContact CB-CD1 4.02Å; D328-L420 HydrophobicContact CB-CD2 4.06Å; A329-L420 HydrophobicContact CB-CD1 4.23Å; A329-L420 HydrophobicContact CB-CG 4.05Å; R332-L420 HydrophobicContact CG-CD2 4.36Å; I416-L420 HydrophobicContact CG2-CD1 4.18Å; I416-L420 WeakPolarHBondContact O-CB 3.39Å; I416-L420 PolarHBondContact O-N 3.17Å; L420-E422 VanDerWaalsContact C-OE2 3.23Å; L420-E422 WeakPolarHBondContact CA-OE2 3.47Å; L420-E422 PolarHBondContact O-N 3.36Å; L420-E422 VanDerWaalsContact O-N 3.12Å; L420-L423 HydrophobicContact CB-CB 4.36Å; L420-L423 HydrophobicContact CB-CD1 4.19Å; L420-L423 HydrophobicContact CB-CG 4.16Å; L420-L423 HydrophobicContact CD1-CD1 3.71Å; L420-L423 PolarHBondContact O-N 3.46Å | ||
| 421 | P | 97.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 65 Ų | 65 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -54.8 | -29.8 | 179.6 | -25.7 | 35.2 | 0 | 0 | 0 | 113.8 | W419 L423 R424 | W419-P421 VanDerWaalsContact C-CD 3.5Å; W419-P421 WeakPolarHBondContact O-CD 3.4Å; P421-L423 PolarHBondContact O-N 2.87Å; P421-R424 WeakPolarHBondContact O-CB 3.48Å; P421-R424 VanDerWaalsContact O-CG 3.31Å; P421-R424 WeakPolarHBondContact O-CG 3.48Å; P421-R424 PolarHBondContact O-N 2.97Å |
| 422 | E | 97.2 | Very high | 94.8 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 53% | 0.528 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -65.4 | -15.4 | 176.6 | 66.8 | -91 | -144.2 | 0 | 0 | 114.1 | R332 L420 | R332-E422 IonicContact CZ-OE1 2.75Å; R332-E422 VanDerWaalsContact NH1-CD 3.28Å; R332-E422 IonicContact NH1-OE1 3.03Å; R332-E422 PolarHBondContact NH1-OE1 3.23Å; R332-E422 IonicContact NH1-OE2 2.99Å; R332-E422 PolarHBondContact NH1-OE2 3.04Å; R332-E422 IonicContact NH2-OE1 3.79Å; R332-E422 PolarHBondContact NH2-OE1 3.22Å; L420-E422 VanDerWaalsContact C-OE2 3.23Å; L420-E422 WeakPolarHBondContact CA-OE2 3.47Å; L420-E422 PolarHBondContact O-N 3.36Å; L420-E422 VanDerWaalsContact O-N 3.12Å |
| 423 | L | 97.2 | Very high | 94.9 | Very high | 26 Ų | 26 | 57 Ų | 57 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -104.2 | 6.8 | 176.5 | -58.5 | -173.9 | 0 | 0 | 0 | 113.2 | P325 I416 L420 P421 D425 V426 V431 P434 | P325-L423 HydrophobicContact CB-CD1 3.91Å; P325-L423 HydrophobicContact CG-CD1 3.91Å; I416-L423 HydrophobicContact CG2-CD1 4.26Å; L420-L423 HydrophobicContact CB-CB 4.36Å; L420-L423 HydrophobicContact CB-CD1 4.19Å; L420-L423 HydrophobicContact CB-CG 4.16Å; L420-L423 HydrophobicContact CD1-CD1 3.71Å; L420-L423 PolarHBondContact O-N 3.46Å; P421-L423 PolarHBondContact O-N 2.87Å; L423-D425 VanDerWaalsContact C-N 3.26Å; L423-D425 PolarHBondContact O-N 3.45Å; L423-V426 HydrophobicContact CB-CG2 4.26Å; L423-V426 HydrophobicContact CD2-CG2 4.14Å; L423-V426 WeakPolarHBondContact O-CB 3.35Å; L423-V426 PolarHBondContact O-N 3.48Å; L423-V426 VanDerWaalsContact O-N 3.09Å; L423-V431 HydrophobicContact CB-CG2 4.28Å; L423-P434 HydrophobicContact CD1-CB 4.5Å; L423-P434 HydrophobicContact CD1-CG 4.09Å; L423-P434 HydrophobicContact CD2-CB 3.84Å; L423-P434 HydrophobicContact CD2-CG 4.04Å |
| 424 | R | 95.1 | Very high | 94.9 | Very high | 146 Ų | 146 | 57.5 Ų | 57.5 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -38.7 | -176 | -80.7 | 174.7 | -179.7 | -175.9 | 3.3 | 113.4 | R417 P421 V426 | R417-R424 HydrophobicContact CB-CG 4.21Å; R417-R424 WeakPolarHBondContact CD-O 3.33Å; R417-R424 PolarHBondContact NE-O 3.4Å; R417-R424 PolarHBondContact O-NE 3.13Å; P421-R424 WeakPolarHBondContact O-CB 3.48Å; P421-R424 VanDerWaalsContact O-CG 3.31Å; P421-R424 WeakPolarHBondContact O-CG 3.48Å; P421-R424 PolarHBondContact O-N 2.97Å; R424-V426 VanDerWaalsContact C-N 3.31Å; R424-V426 PolarHBondContact O-N 3.28Å |
| 425 | D | 93 | Very high | 94.8 | Very high | 150 Ų | 150 | 61 Ų | 61 | 80% | 0.802 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.5 | -177.3 | -60.4 | -37.2 | 0 | 0 | 0 | 113.7 | L423 P427 | L423-D425 VanDerWaalsContact C-N 3.26Å; L423-D425 PolarHBondContact O-N 3.45Å; D425-P427 VanDerWaalsContact O-CD 3.31Å; D425-P427 WeakPolarHBondContact O-CD 3.22Å |
| 426 | V | 93.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -72.8 | 120.8 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | R417 L423 R424 V430 V431 P434 W437 | R417-V426 PolarHBondContact NE-O 3.33Å; R417-V426 PolarHBondContact NH2-O 3.49Å; L423-V426 HydrophobicContact CB-CG2 4.26Å; L423-V426 HydrophobicContact CD2-CG2 4.14Å; L423-V426 WeakPolarHBondContact O-CB 3.35Å; L423-V426 PolarHBondContact O-N 3.48Å; L423-V426 VanDerWaalsContact O-N 3.09Å; R424-V426 VanDerWaalsContact C-N 3.31Å; R424-V426 PolarHBondContact O-N 3.28Å; V426-V430 HydrophobicContact CG1-CG2 3.89Å; V426-V431 HydrophobicContact CB-CB 4.43Å; V426-V431 HydrophobicContact CB-CG2 4.35Å; V426-V431 HydrophobicContact CG1-CB 4.23Å; V426-P434 HydrophobicContact CG1-CB 4.37Å; V426-P434 HydrophobicContact CG2-CB 4.21Å; V426-W437 HydrophobicContact CG1-CD2 4.28Å; V426-W437 HydrophobicContact CG1-CE3 4.05Å; V426-W437 HydrophobicContact CG2-CE3 4.1Å; V426-W437 HydrophobicContact CG2-CZ3 3.93Å |
| 427 | P | 88 | Confident | 94.2 | Very high | 69 Ų | 69 | 71 Ų | 71 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | trans | -70.8 | 143.2 | -170.6 | -22.1 | 34 | 0 | 0 | 0 | 114.7 | D425 K429 V430 W437 | D425-P427 VanDerWaalsContact O-CD 3.31Å; D425-P427 WeakPolarHBondContact O-CD 3.22Å; P427-K429 PolarHBondContact O-N 3.39Å; P427-V430 WeakPolarHBondContact O-CG2 3.31Å; P427-V430 PolarHBondContact O-N 3Å; P427-W437 HydrophobicContact CG-CZ2 4.34Å | ||
| 428 | G | 84 | Confident | 93.9 | Very high | 38 Ų | 38 | 70.4 Ų | 70.4 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | 45.3 | -133.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R417 V430 V431 | R417-G428 PolarHBondContact NH2-O 2.91Å; G428-V430 VanDerWaalsContact C-N 3.34Å; G428-V430 PolarHBondContact O-N 3.36Å; G428-V431 WeakPolarHBondContact O-CG1 3.39Å |
| 429 | K | 81.6 | Confident | 93.6 | Very high | 100 Ų | 100 | 71.5 Ų | 71.5 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -73.3 | -17.3 | -177.2 | -63.5 | -171.2 | 176.2 | -169.9 | 0 | 114.8 | P427 V431 H432 | P427-K429 PolarHBondContact O-N 3.39Å; K429-V431 PolarHBondContact O-N 2.71Å; K429-V431 VanDerWaalsContact O-N 3.15Å; K429-H432 PolarHBondContact O-CD2 2.89Å; K429-H432 VanDerWaalsContact O-CD2 3.29Å; K429-H432 PolarHBondContact O-N 3.42Å |
| 430 | V | 92.7 | Very high | 93.1 | Very high | 63 Ų | 63 | 76.6 Ų | 76.6 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -71.7 | -7.4 | 179.4 | -62.7 | 0 | 0 | 0 | 0 | 112.6 | V426 P427 G428 H432 E433 W437 | V426-V430 HydrophobicContact CG1-CG2 3.89Å; P427-V430 WeakPolarHBondContact O-CG2 3.31Å; P427-V430 PolarHBondContact O-N 3Å; G428-V430 VanDerWaalsContact C-N 3.34Å; G428-V430 PolarHBondContact O-N 3.36Å; V430-H432 PolarHBondContact O-N 3.14Å; V430-E433 CarbonylContact O-C 3.57Å; V430-E433 PolarHBondContact O-N 2.94Å; V430-W437 HydrophobicContact CB-CB 3.99Å; V430-W437 HydrophobicContact CB-CG 4.48Å; V430-W437 HydrophobicContact CG2-CB 3.85Å; V430-W437 HydrophobicContact CG2-CG 3.81Å |
| 431 | V | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -58.3 | -23.6 | 170.2 | 74.5 | 0 | 0 | 0 | 0 | 113.3 | P325 I416 R417 L423 V426 G428 K429 E433 | P325-V431 VanDerWaalsContact CG-O 3.25Å; P325-V431 WeakPolarHBondContact CG-O 3.47Å; I416-V431 HydrophobicContact CG2-CG2 3.72Å; R417-V431 HydrophobicContact CG-CG2 4.29Å; L423-V431 HydrophobicContact CB-CG2 4.28Å; V426-V431 HydrophobicContact CB-CB 4.43Å; V426-V431 HydrophobicContact CB-CG2 4.35Å; V426-V431 HydrophobicContact CG1-CB 4.23Å; G428-V431 WeakPolarHBondContact O-CG1 3.39Å; K429-V431 PolarHBondContact O-N 2.71Å; K429-V431 VanDerWaalsContact O-N 3.15Å; V431-E433 VanDerWaalsContact C-N 3.33Å |
| 432 | H | 97.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.019 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -78.2 | -17.6 | 174.7 | -59.9 | -70.3 | 0 | 0 | 0 | 113.1 | P325 T403 G406 E407 D410 I416 K429 V430 | P325-H432 WeakPolarHBondContact CD-O 3.12Å; T403-H432 HydrophobicContact CG2-CB 4.05Å; G406-H432 PolarHBondContact O-CE1 2.78Å; G406-H432 VanDerWaalsContact O-CE1 3.24Å; E407-H432 HydrophobicContact CG-CB 4.18Å; D410-H432 PolarHBondContact O-CE1 2.78Å; D410-H432 PolarHBondContact O-NE2 3.09Å; D410-H432 VanDerWaalsContact O-NE2 3.14Å; I416-H432 VanDerWaalsContact CD1-CE1 3.43Å; I416-H432 WeakPolarHBondContact CD1-CE1 3.42Å; I416-H432 WeakPolarHBondContact CD1-ND1 3.47Å; K429-H432 PolarHBondContact O-CD2 2.89Å; K429-H432 VanDerWaalsContact O-CD2 3.29Å; K429-H432 PolarHBondContact O-N 3.42Å; V430-H432 PolarHBondContact O-N 3.14Å |
| 433 | E | 96.9 | Very high | 88.8 | Confident | 66 Ų | 66 | 85.9 Ų | 85.9 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -137 | 60.4 | 177.6 | -58.5 | -166.9 | 111.5 | 0 | 0 | 111 | T403 V430 V431 W435 K436 | T403-E433 HydrophobicContact CG2-CG 3.43Å; T403-E433 VanDerWaalsContact CG2-CG 3.43Å; V430-E433 CarbonylContact O-C 3.57Å; V430-E433 PolarHBondContact O-N 2.94Å; V431-E433 VanDerWaalsContact C-N 3.33Å; E433-W435 PolarHBondContact O-N 2.97Å; E433-W435 VanDerWaalsContact O-N 3.15Å; E433-K436 HydrophobicContact CB-CB 4.41Å; E433-K436 HydrophobicContact CB-CD 4.16Å; E433-K436 HydrophobicContact CB-CG 4.38Å; E433-K436 PolarHBondContact O-N 3.08Å; E433-K436 VanDerWaalsContact OE1-CE 3.27Å; E433-K436 WeakPolarHBondContact OE1-CE 3.31Å; E433-K436 IonicContact OE1-NZ 2.65Å; E433-K436 PolarHBondContact OE1-NZ 3.11Å; E433-K436 WeakPolarHBondContact OE2-CD 3.44Å; E433-K436 IonicContact OE2-NZ 2.89Å; E433-K436 PolarHBondContact OE2-NZ 3.3Å |
| 434 | P | 96.3 | Very high | 86.5 | Confident | 12 Ų | 12 | 90.6 Ų | 90.6 | 8% | 0.078 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.5 | -33.3 | -166.6 | 25 | -35.4 | 0 | 0 | 0 | 112.6 | P325 L423 V426 K436 W437 A438 | P325-P434 HydrophobicContact CG-CG 3.86Å; L423-P434 HydrophobicContact CD1-CB 4.5Å; L423-P434 HydrophobicContact CD1-CG 4.09Å; L423-P434 HydrophobicContact CD2-CB 3.84Å; L423-P434 HydrophobicContact CD2-CG 4.04Å; V426-P434 HydrophobicContact CG1-CB 4.37Å; V426-P434 HydrophobicContact CG2-CB 4.21Å; P434-K436 PolarHBondContact O-N 3.36Å; P434-W437 PolarHBondContact O-N 3.45Å; P434-A438 WeakPolarHBondContact O-CB 3.33Å; P434-A438 PolarHBondContact O-N 3.31Å |
| 435 | W | 94.3 | Very high | 84.2 | Confident | 191 Ų | 191 | 98.8 Ų | 98.8 | 72% | 0.723 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -38.7 | 177.9 | -61.9 | 100.7 | 0 | 0 | 0 | 113.3 | E433 W437 A438 Q439 | E433-W435 PolarHBondContact O-N 2.97Å; E433-W435 VanDerWaalsContact O-N 3.15Å; W435-W437 VanDerWaalsContact C-N 3.32Å; W435-W437 PolarHBondContact O-N 3.42Å; W435-A438 PolarHBondContact O-N 3.47Å; W435-Q439 PolarHBondContact O-N 3.13Å |
| 436 | K | 92.6 | Very high | 83.8 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 177.8 | -72.1 | -174.8 | -175.9 | 167.6 | 0 | 111.5 | E433 P434 K440 | E433-K436 HydrophobicContact CB-CB 4.41Å; E433-K436 HydrophobicContact CB-CD 4.16Å; E433-K436 HydrophobicContact CB-CG 4.38Å; E433-K436 PolarHBondContact O-N 3.08Å; E433-K436 VanDerWaalsContact OE1-CE 3.27Å; E433-K436 WeakPolarHBondContact OE1-CE 3.31Å; E433-K436 IonicContact OE1-NZ 2.65Å; E433-K436 PolarHBondContact OE1-NZ 3.11Å; E433-K436 WeakPolarHBondContact OE2-CD 3.44Å; E433-K436 IonicContact OE2-NZ 2.89Å; E433-K436 PolarHBondContact OE2-NZ 3.3Å; P434-K436 PolarHBondContact O-N 3.36Å; K436-K440 WeakPolarHBondContact O-CG 3.45Å |
| 437 | W | 91.9 | Very high | 83.3 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71 | -48.3 | 174.8 | 168 | 80 | 0 | 0 | 0 | 111.4 | V426 P427 V430 P434 W435 Q439 K440 A441 | V426-W437 HydrophobicContact CG1-CD2 4.28Å; V426-W437 HydrophobicContact CG1-CE3 4.05Å; V426-W437 HydrophobicContact CG2-CE3 4.1Å; V426-W437 HydrophobicContact CG2-CZ3 3.93Å; P427-W437 HydrophobicContact CG-CZ2 4.34Å; V430-W437 HydrophobicContact CB-CB 3.99Å; V430-W437 HydrophobicContact CB-CG 4.48Å; V430-W437 HydrophobicContact CG2-CB 3.85Å; V430-W437 HydrophobicContact CG2-CG 3.81Å; P434-W437 PolarHBondContact O-N 3.45Å; W435-W437 VanDerWaalsContact C-N 3.32Å; W435-W437 PolarHBondContact O-N 3.42Å; W437-Q439 VanDerWaalsContact C-N 3.3Å; W437-Q439 PolarHBondContact O-N 3.23Å; W437-K440 PolarHBondContact O-N 3.1Å; W437-A441 HydrophobicContact CZ2-CB 4.35Å; W437-A441 PolarHBondContact O-N 3.23Å |
| 438 | A | 91.6 | Very high | 83 | Confident | 35 Ų | 35 | 102.6 Ų | 102.6 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57 | -43.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | P434 W435 K440 A441 V442 | P434-A438 WeakPolarHBondContact O-CB 3.33Å; P434-A438 PolarHBondContact O-N 3.31Å; W435-A438 PolarHBondContact O-N 3.47Å; A438-K440 PolarHBondContact O-N 2.69Å; A438-A441 PolarHBondContact O-N 3.1Å; A438-V442 VanDerWaalsContact O-CG2 3.27Å; A438-V442 WeakPolarHBondContact O-CG2 3.5Å; A438-V442 PolarHBondContact O-N 3.37Å |
| 439 | Q | 91.5 | Very high | 82.9 | Confident | 145 Ų | 145 | 106.4 Ų | 106.4 | 68% | 0.678 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.1 | -33.3 | 175.4 | -104.3 | -176.4 | 8.2 | 0 | 0 | 113.8 | W435 W437 | W435-Q439 PolarHBondContact O-N 3.13Å; W437-Q439 VanDerWaalsContact C-N 3.3Å; W437-Q439 PolarHBondContact O-N 3.23Å |
| 440 | K | 88.4 | Confident | 83 | Confident | 163 Ų | 163 | 106.8 Ų | 106.8 | 71% | 0.709 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -80.9 | -36.9 | 177.5 | -68.3 | 176.6 | -177.7 | 178.9 | 0 | 111.6 | K436 W437 A438 V442 R443 | K436-K440 WeakPolarHBondContact O-CG 3.45Å; W437-K440 PolarHBondContact O-N 3.1Å; A438-K440 PolarHBondContact O-N 2.69Å; K440-V442 VanDerWaalsContact C-N 3.31Å; K440-V442 PolarHBondContact O-N 2.92Å; K440-R443 PolarHBondContact O-N 2.89Å |
| 441 | A | 79.8 | Confident | 82.4 | Confident | 63 Ų | 63 | 109.7 Ų | 109.7 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -30.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | W437 A438 | W437-A441 HydrophobicContact CZ2-CB 4.35Å; W437-A441 PolarHBondContact O-N 3.23Å; A438-A441 PolarHBondContact O-N 3.1Å |
| 442 | V | 68.8 | Low | 81.4 | Confident | 121 Ų | 121 | 117.6 Ų | 117.6 | 73% | 0.733 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.1 | -179.4 | 179.2 | 0 | 0 | 0 | 0 | 113 | A438 K440 P444 | A438-V442 VanDerWaalsContact O-CG2 3.27Å; A438-V442 WeakPolarHBondContact O-CG2 3.5Å; A438-V442 PolarHBondContact O-N 3.37Å; K440-V442 VanDerWaalsContact C-N 3.31Å; K440-V442 PolarHBondContact O-N 2.92Å; V442-P444 WeakPolarHBondContact O-CD 3.2Å |
| 443 | R | 52.9 | Low | 80.2 | Confident | 193 Ų | 193 | 126.3 Ų | 126.3 | 73% | 0.728 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -72.8 | 122.2 | 175.4 | -75.4 | -175.8 | -178.4 | -163.3 | -0.8 | 110 | K440 R445 | K440-R443 PolarHBondContact O-N 2.89Å; R443-R445 PolarHBondContact O-N 2.75Å |
| 444 | P | 50.6 | Low | 78.8 | Confident | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 61% | 0.611 | S | S | * | * | trans | -62.7 | 138.7 | 174.6 | 27.9 | -32.4 | 0 | 0 | 0 | 108.9 | V442 | V442-P444 WeakPolarHBondContact O-CD 3.2Š| ||
| 445 | R | 46.5 | Very low | 77.2 | Confident | 319 Ų | 319 | 142.2 Ų | 142.2 | 100% | 1.204 | 66% | 0.659 | S | S | * | * | trans | -66.5 | 0 | 173.8 | -79.6 | -171.7 | -178.8 | -173.3 | 1.4 | 111.7 | R443 | R443-R445 PolarHBondContact O-N 2.75Š|
Retrieved 445 of 445 residues in 518.9 ms
(Link to these results)