| 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 | 51.6 | Low | 90.3 | Very high | 222 Ų | 222 | 70.7 Ų | 70.7 | 100% | 1.094 | 38% | 0.383 | S | S | * | . | 0 | 131 | 0 | -75.3 | 175.6 | -177.4 | 0 | 0 | 107.6 | |||||
| 2 | S | 76.6 | Confident | 91 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | trans | -81.5 | 139.6 | 177.6 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | G4 | S2-G4 VanDerWaalsContact C-N 3.26Å; S2-G4 PolarHBondContact O-N 3.45Å; S2-G4 PolarHBondContact OG-N 2.88Å | ||
| 3 | Y | 91.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 65.8 Ų | 65.8 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | trans | -82.5 | 1 | 179.6 | -68.1 | -75.3 | 0 | 0 | 0 | 114 | G58 I59 I119 I122 K123 | Y3-G58 WeakPolarHBondContact CD2-O 3.24Å; Y3-I59 HydrophobicContact CD2-CD1 3.45Å; Y3-I59 VanDerWaalsContact CD2-CD1 3.45Å; Y3-I59 HydrophobicContact CD2-CG1 4.18Å; Y3-I59 HydrophobicContact CE2-CD1 4.13Å; Y3-I59 HydrophobicContact CE2-CG1 4.49Å; Y3-I59 HydrophobicContact CG-CD1 4Å; Y3-I119 HydrophobicContact CD2-CG1 4.46Å; Y3-I119 HydrophobicContact CE1-CG2 4.03Å; Y3-I119 HydrophobicContact CE2-CD1 4Å; Y3-I119 HydrophobicContact CE2-CG1 3.88Å; Y3-I119 HydrophobicContact CE2-CG2 4.38Å; Y3-I119 WeakPolarHBondContact OH-CG2 3.24Å; Y3-I122 HydrophobicContact CD1-CB 4.42Å; Y3-I122 HydrophobicContact CD1-CG2 3.7Å; Y3-I122 HydrophobicContact CG-CD1 4.42Å; Y3-I122 HydrophobicContact CG-CG2 4.33Å; Y3-K123 HydrophobicContact CE1-CG 4.33Å; Y3-K123 WeakPolarHBondContact OH-CE 3.41Å | ||
| 4 | G | 94 | Very high | 92.1 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | trans | 129.5 | 159 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | S2 | S2-G4 VanDerWaalsContact C-N 3.26Å; S2-G4 PolarHBondContact O-N 3.45Å; S2-G4 PolarHBondContact OG-N 2.88Å | ||
| 5 | D | 96.4 | Very high | 92.5 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | trans | -95.8 | 111.7 | 175.8 | 179.6 | -9.4 | 0 | 0 | 0 | 110.6 | T7 R8 V9 E135 | D5-T7 VanDerWaalsContact CG-OG1 3.24Å; D5-T7 PolarHBondContact O-N 3.48Å; D5-T7 VanDerWaalsContact O-N 3.13Å; D5-T7 WeakPolarHBondContact OD1-CB 3.45Å; D5-T7 PolarHBondContact OD1-N 3.24Å; D5-T7 PolarHBondContact OD1-OG1 3.03Å; D5-T7 PolarHBondContact OD2-OG1 3.38Å; D5-R8 HydrophobicContact CB-CB 4.34Å; D5-R8 HydrophobicContact CB-CG 4.16Å; D5-R8 PolarHBondContact O-N 3.49Å; D5-R8 WeakPolarHBondContact OD2-CD 3.22Å; D5-V9 PolarHBondContact O-N 2.93Å; D5-E135 PolarHBondContact N-OE1 3.14Å | ||
| 6 | I | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -59.2 | -27.5 | -177.5 | -164.2 | 58.5 | 0 | 0 | 0 | 113.1 | R8 V9 D60 L63 L138 I142 V172 A175 K176 | I6-R8 VanDerWaalsContact C-N 3.26Å; I6-R8 PolarHBondContact O-N 3.36Å; I6-V9 HydrophobicContact CD1-CG2 4.27Å; I6-V9 PolarHBondContact O-N 2.99Å; I6-D60 HydrophobicContact CG2-CB 4.34Å; I6-L63 HydrophobicContact CD1-CD1 4.21Å; I6-L138 HydrophobicContact CD1-CD2 4.21Å; I6-I142 HydrophobicContact CD1-CD1 4.24Å; I6-V172 HydrophobicContact CD1-CB 4.33Å; I6-V172 HydrophobicContact CD1-CG1 4.19Å; I6-V172 HydrophobicContact CD1-CG2 3.86Å; I6-A175 HydrophobicContact CD1-CB 4.22Å; I6-A175 HydrophobicContact CG1-CB 3.6Å; I6-K176 VanDerWaalsContact O-CE 3.25Å; I6-K176 WeakPolarHBondContact O-CE 3.36Å |
| 7 | T | 96 | Very high | 93.1 | Very high | 68 Ų | 68 | 69.9 Ų | 69.9 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -70.3 | -26.8 | 180 | 71 | 0 | 0 | 0 | 0 | 112 | D5 K176 K179 | D5-T7 VanDerWaalsContact CG-OG1 3.24Å; D5-T7 PolarHBondContact O-N 3.48Å; D5-T7 VanDerWaalsContact O-N 3.13Å; D5-T7 WeakPolarHBondContact OD1-CB 3.45Å; D5-T7 PolarHBondContact OD1-N 3.24Å; D5-T7 PolarHBondContact OD1-OG1 3.03Å; D5-T7 PolarHBondContact OD2-OG1 3.38Å; T7-K176 VanDerWaalsContact O-CE 3.32Å; T7-K176 WeakPolarHBondContact O-CE 3.48Å; T7-K176 PolarHBondContact O-NZ 2.99Å; T7-K179 HydrophobicContact CG2-CG 4.15Å |
| 8 | R | 98 | Very high | 93.4 | Very high | 177 Ų | 177 | 66.1 Ų | 66.1 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -91.4 | -9.7 | -178.7 | -63.2 | 178.4 | 63.7 | -172 | -1.9 | 113.8 | D5 I6 E135 | D5-R8 HydrophobicContact CB-CB 4.34Å; D5-R8 HydrophobicContact CB-CG 4.16Å; D5-R8 PolarHBondContact O-N 3.49Å; D5-R8 WeakPolarHBondContact OD2-CD 3.22Å; I6-R8 VanDerWaalsContact C-N 3.26Å; I6-R8 PolarHBondContact O-N 3.36Å; R8-E135 HydrophobicContact CB-CG 3.74Å |
| 9 | V | 98.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -71.6 | 128.7 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | D5 I6 E135 L138 K139 V172 K176 | D5-V9 PolarHBondContact O-N 2.93Å; I6-V9 HydrophobicContact CD1-CG2 4.27Å; I6-V9 PolarHBondContact O-N 2.99Å; V9-E135 HydrophobicContact CG2-CB 3.91Å; V9-E135 HydrophobicContact CG2-CG 4.19Å; V9-L138 HydrophobicContact CG2-CD2 4.06Å; V9-K139 HydrophobicContact CG1-CB 3.75Å; V9-K139 HydrophobicContact CG1-CD 3.93Å; V9-K139 HydrophobicContact CG1-CG 4.04Å; V9-V172 HydrophobicContact CB-CG1 3.83Å; V9-V172 HydrophobicContact CB-CG2 4.36Å; V9-V172 HydrophobicContact CG1-CB 4.45Å; V9-V172 HydrophobicContact CG1-CG1 3.85Å; V9-V172 HydrophobicContact CG1-CG2 3.77Å; V9-K176 WeakPolarHBondContact O-CE 3.31Å; V9-K176 PolarHBondContact O-NZ 3.36Å |
| 10 | S | 96.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 65 Ų | 65 | 56% | 0.559 | 34% | 0.344 | S | S | * | . | trans | -76.2 | 137.5 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 111.3 | K139 | S10-K139 WeakPolarHBondContact O-CD 3.37Å; S10-K139 WeakPolarHBondContact O-CE 3.43Å; S10-K139 PolarHBondContact O-NZ 2.94Å | ||
| 11 | A | 97.4 | Very high | 93.8 | Very high | 21 Ų | 21 | 67.5 Ų | 67.5 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | trans | -148.8 | 136 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | G13 V29 N169 V172 | A11-G13 VanDerWaalsContact C-N 3.35Å; A11-V29 WeakPolarHBondContact O-CG2 3.5Å; A11-N169 WeakPolarHBondContact CA-OD1 3.34Å; A11-N169 WeakPolarHBondContact CB-O 3.49Å; A11-V172 HydrophobicContact CB-CB 3.79Å; A11-V172 HydrophobicContact CB-CG1 3.58Å | ||
| 12 | S | 98.5 | Very high | 95.9 | Very high | 75 Ų | 75 | 59 Ų | 59 | 52% | 0.524 | 31% | 0.313 | S | S | . | . | trans | -83.3 | -12.4 | 172.1 | 58.2 | 0 | 0 | 0 | 0 | 113 | G28 V29 N169 | S12-G28 CarbonylContact O-C 3.49Å; S12-G28 WeakPolarHBondContact O-CA 3.24Å; S12-V29 PolarHBondContact O-N 3.06Å; S12-N169 PolarHBondContact N-OD1 3.38Å; S12-N169 PolarHBondContact OG-OD1 2.9Å; S12-N169 VanDerWaalsContact OG-OD1 3.12Å | ||
| 13 | G | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | trans | 75.9 | -162.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | A11 S32 | A11-G13 VanDerWaalsContact C-N 3.35Å; G13-S32 WeakPolarHBondContact CA-OG 3.4Å | ||
| 14 | A | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 138.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T18 G28 A31 S32 D170 | A14-T18 HydrophobicContact CB-CG2 4.03Å; A14-G28 PolarHBondContact N-O 3.02Å; A14-G28 WeakPolarHBondContact O-CA 3.45Å; A14-G28 PolarHBondContact O-N 3.43Å; A14-A31 HydrophobicContact CB-CB 4.28Å; A14-S32 PolarHBondContact N-OG 2.98Å; A14-D170 HydrophobicContact CB-CB 4.29Å |
| 15 | S | 98.6 | Very high | 97.2 | Very high | 32 Ų | 32 | 67.4 Ų | 67.4 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | trans | -67 | 165.7 | 164.5 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | K17 T18 S19 G164 D166 | S15-K17 PolarHBondContact O-N 3.34Å; S15-K17 PolarHBondContact OG-N 2.92Å; S15-T18 PolarHBondContact O-N 3.13Å; S15-T18 VanDerWaalsContact O-N 3.16Å; S15-T18 PolarHBondContact OG-N 3.27Å; S15-T18 PolarHBondContact OG-OG1 3.21Å; S15-S19 PolarHBondContact O-N 2.94Å; S15-S19 PolarHBondContact O-OG 3.47Å; S15-G164 PolarHBondContact OG-O 2.93Å; S15-D166 VanDerWaalsContact CB-OD2 3.23Å; S15-D166 WeakPolarHBondContact CB-OD2 3.35Å; S15-D166 PolarHBondContact N-OD2 2.65Å; S15-D166 PolarHBondContact OG-OD2 2.74Å | ||
| 16 | E | 97.8 | Very high | 97.3 | Very high | 139 Ų | 139 | 68.1 Ų | 68.1 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -55.8 | -39.8 | 169.6 | -68.5 | 178.5 | -173.6 | 0 | 0 | 112 | T18 S19 Q20 | E16-T18 PolarHBondContact O-N 3.18Å; E16-S19 PolarHBondContact O-N 3.45Å; E16-S19 PolarHBondContact O-OG 2.84Å; E16-Q20 WeakPolarHBondContact O-CB 3.4Å; E16-Q20 WeakPolarHBondContact O-CG 3.35Å; E16-Q20 PolarHBondContact O-N 2.68Å |
| 17 | K | 97.7 | Very high | 97.4 | Very high | 158 Ų | 158 | 70.6 Ų | 70.6 | 69% | 0.687 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.8 | -39.1 | 179.1 | -179.1 | 173 | 177.3 | 177.5 | 0 | 111.9 | S15 | S15-K17 PolarHBondContact O-N 3.34Å; S15-K17 PolarHBondContact OG-N 2.92Å |
| 18 | T | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -78.4 | -45 | 179.1 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | A14 S15 E16 Q20 Q21 M35 D166 D170 | A14-T18 HydrophobicContact CB-CG2 4.03Å; S15-T18 PolarHBondContact O-N 3.13Å; S15-T18 VanDerWaalsContact O-N 3.16Å; S15-T18 PolarHBondContact OG-N 3.27Å; S15-T18 PolarHBondContact OG-OG1 3.21Å; E16-T18 PolarHBondContact O-N 3.18Å; T18-Q20 PolarHBondContact O-N 2.99Å; T18-Q21 VanDerWaalsContact O-CB 3.3Å; T18-Q21 WeakPolarHBondContact O-CB 3.48Å; T18-Q21 VanDerWaalsContact O-CG 3.31Å; T18-Q21 WeakPolarHBondContact O-CG 3.27Å; T18-Q21 PolarHBondContact O-N 3.17Å; T18-Q21 VanDerWaalsContact O-N 3.13Å; T18-M35 HydrophobicContact CG2-CE 3.9Å; T18-M35 HydrophobicContact CG2-SD 4.15Å; T18-M35 WeakPolarHBondContact O-CE 3.29Å; T18-D166 WeakPolarHBondContact CB-OD2 3.47Å; T18-D166 PolarHBondContact OG1-OD1 3.19Å; T18-D166 PolarHBondContact OG1-OD2 2.76Å; T18-D170 WeakPolarHBondContact CG2-OD2 3.49Å |
| 19 | S | 97.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.014 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -27.5 | -178 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | S15 E16 Q21 D22 R23 Y26 | S15-S19 PolarHBondContact O-N 2.94Å; S15-S19 PolarHBondContact O-OG 3.47Å; E16-S19 PolarHBondContact O-N 3.45Å; E16-S19 PolarHBondContact O-OG 2.84Å; S19-Q21 PolarHBondContact O-N 3.21Å; S19-D22 PolarHBondContact O-N 3.48Å; S19-D22 VanDerWaalsContact O-N 3.11Å; S19-R23 PolarHBondContact O-N 2.89Å; S19-Y26 WeakPolarHBondContact CB-O 3.42Å; S19-Y26 PolarHBondContact OG-O 3.4Å |
| 20 | Q | 96.6 | Very high | 97.6 | Very high | 108 Ų | 108 | 68.6 Ų | 68.6 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -69.2 | -13.1 | 176.3 | -69.4 | -67.1 | 19.7 | 0 | 0 | 114.3 | E16 T18 D22 R23 | E16-Q20 WeakPolarHBondContact O-CB 3.4Å; E16-Q20 WeakPolarHBondContact O-CG 3.35Å; E16-Q20 PolarHBondContact O-N 2.68Å; T18-Q20 PolarHBondContact O-N 2.99Å; Q20-D22 PolarHBondContact O-N 3.03Å; Q20-R23 PolarHBondContact O-N 3.22Å; Q20-R23 VanDerWaalsContact O-N 3.14Å |
| 21 | Q | 94.9 | Very high | 97.7 | Very high | 118 Ų | 118 | 64.8 Ų | 64.8 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -61.5 | -30.9 | 169.4 | -62.5 | 176.2 | 11.4 | 0 | 0 | 111.9 | T18 S19 M35 | T18-Q21 VanDerWaalsContact O-CB 3.3Å; T18-Q21 WeakPolarHBondContact O-CB 3.48Å; T18-Q21 VanDerWaalsContact O-CG 3.31Å; T18-Q21 WeakPolarHBondContact O-CG 3.27Å; T18-Q21 PolarHBondContact O-N 3.17Å; T18-Q21 VanDerWaalsContact O-N 3.13Å; S19-Q21 PolarHBondContact O-N 3.21Å; Q21-M35 HydrophobicContact CB-CE 4.42Å |
| 22 | D | 95.5 | Very high | 97.8 | Very high | 44 Ų | 44 | 63.8 Ų | 63.8 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -104.8 | 7.7 | 176.7 | -72.9 | 34.4 | 0 | 0 | 0 | 111.7 | S19 Q20 L24 M35 R73 | S19-D22 PolarHBondContact O-N 3.48Å; S19-D22 VanDerWaalsContact O-N 3.11Å; Q20-D22 PolarHBondContact O-N 3.03Å; D22-L24 VanDerWaalsContact C-N 3.29Å; D22-L24 HydrophobicContact CB-CD1 4.28Å; D22-L24 HydrophobicContact CB-CD2 3.9Å; D22-L24 HydrophobicContact CB-CG 3.81Å; D22-L24 PolarHBondContact O-N 3.13Å; D22-M35 HydrophobicContact CB-CG 4.23Å; D22-R73 IonicContact OD1-CZ 2.71Å; D22-R73 IonicContact OD1-NH1 3.62Å; D22-R73 PolarHBondContact OD1-NH1 2.99Å; D22-R73 IonicContact OD1-NH2 3.21Å; D22-R73 PolarHBondContact OD1-NH2 3.22Å; D22-R73 VanDerWaalsContact OD1-NH2 3.14Å; D22-R73 IonicContact OD2-CZ 3.6Å; D22-R73 IonicContact OD2-NH1 2.81Å; D22-R73 IonicContact OD2-NH2 3.5Å; D22-R73 PolarHBondContact OD2-NH2 2.85Å |
| 23 | R | 97.3 | Very high | 97.8 | Very high | 219 Ų | 219 | 62.7 Ų | 62.7 | 83% | 0.826 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 39.8 | 179.3 | -55.2 | 179 | -177 | 174.7 | -0 | 113.9 | S19 Q20 G25 | S19-R23 PolarHBondContact O-N 2.89Å; Q20-R23 PolarHBondContact O-N 3.22Å; Q20-R23 VanDerWaalsContact O-N 3.14Å; R23-G25 PolarHBondContact O-N 3.34Å |
| 24 | L | 96.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 66.4 Ų | 66.4 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | trans | -72.3 | -25.4 | -169.6 | -62.5 | -177.7 | 0 | 0 | 0 | 114.2 | D22 Y26 A31 K34 M35 | D22-L24 VanDerWaalsContact C-N 3.29Å; D22-L24 HydrophobicContact CB-CD1 4.28Å; D22-L24 HydrophobicContact CB-CD2 3.9Å; D22-L24 HydrophobicContact CB-CG 3.81Å; D22-L24 PolarHBondContact O-N 3.13Å; L24-Y26 HydrophobicContact CB-CD1 4.14Å; L24-Y26 HydrophobicContact CB-CE1 3.89Å; L24-Y26 HydrophobicContact CB-CE2 4.27Å; L24-Y26 HydrophobicContact CB-CG 4.43Å; L24-Y26 HydrophobicContact CD1-CE2 4.21Å; L24-Y26 WeakPolarHBondContact O-CD1 3.37Å; L24-Y26 WeakPolarHBondContact O-CE1 3.16Å; L24-Y26 PolarHBondContact O-N 2.92Å; L24-A31 HydrophobicContact CD1-CB 3.84Å; L24-K34 HydrophobicContact CD1-CB 4.07Å; L24-K34 HydrophobicContact CD1-CG 4.17Å; L24-K34 HydrophobicContact CD2-CG 3.77Å; L24-M35 HydrophobicContact CD1-CG 3.99Å | ||
| 25 | G | 97 | Very high | 97.8 | Very high | 69 Ų | 69 | 66.2 Ų | 66.2 | 71% | 0.711 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 73.4 | 0.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R23 | R23-G25 PolarHBondContact O-N 3.34Š|
| 26 | Y | 98.2 | Very high | 97.8 | Very high | 78 Ų | 78 | 64.7 Ų | 64.7 | 31% | 0.306 | 32% | 0.322 | S | S | . | . | trans | -138.9 | 167.9 | 172.9 | 55.2 | -90.2 | 0 | 0 | 0 | 110.4 | S19 L24 E30 A31 K34 | S19-Y26 WeakPolarHBondContact CB-O 3.42Å; S19-Y26 PolarHBondContact OG-O 3.4Å; L24-Y26 HydrophobicContact CB-CD1 4.14Å; L24-Y26 HydrophobicContact CB-CE1 3.89Å; L24-Y26 HydrophobicContact CB-CE2 4.27Å; L24-Y26 HydrophobicContact CB-CG 4.43Å; L24-Y26 HydrophobicContact CD1-CE2 4.21Å; L24-Y26 WeakPolarHBondContact O-CD1 3.37Å; L24-Y26 WeakPolarHBondContact O-CE1 3.16Å; L24-Y26 PolarHBondContact O-N 2.92Å; Y26-E30 HydrophobicContact CD2-CB 4.24Å; Y26-E30 HydrophobicContact CD2-CG 4.23Å; Y26-E30 HydrophobicContact CE2-CB 4.1Å; Y26-E30 HydrophobicContact CE2-CG 3.74Å; Y26-A31 HydrophobicContact CD2-CB 3.89Å; Y26-A31 HydrophobicContact CE2-CB 3.99Å; Y26-K34 WeakPolarHBondContact OH-CG 3.35Å | ||
| 27 | S | 98.4 | Very high | 97.8 | Very high | 53 Ų | 53 | 62.3 Ų | 62.3 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | trans | -131.7 | -176.3 | -180 | 64 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 28 | G | 98.6 | Very high | 97.9 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | 88.9 | -157.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S12 A14 E30 A31 S32 | S12-G28 CarbonylContact O-C 3.49Å; S12-G28 WeakPolarHBondContact O-CA 3.24Å; A14-G28 PolarHBondContact N-O 3.02Å; A14-G28 WeakPolarHBondContact O-CA 3.45Å; A14-G28 PolarHBondContact O-N 3.43Å; G28-E30 VanDerWaalsContact C-N 3.34Å; G28-E30 PolarHBondContact O-N 3.45Å; G28-A31 PolarHBondContact O-N 2.81Å; G28-S32 PolarHBondContact O-N 3.45Å; G28-S32 PolarHBondContact O-OG 3.35Å |
| 29 | V | 98.8 | Very high | 97.9 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -46.7 | -177.7 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | A11 S12 A31 S32 E33 A173 | A11-V29 WeakPolarHBondContact O-CG2 3.5Å; S12-V29 PolarHBondContact O-N 3.06Å; V29-A31 VanDerWaalsContact C-N 3.3Å; V29-A31 PolarHBondContact O-N 3.49Å; V29-S32 WeakPolarHBondContact O-CA 3.49Å; V29-S32 VanDerWaalsContact O-CB 3.31Å; V29-S32 WeakPolarHBondContact O-CB 3.23Å; V29-S32 PolarHBondContact O-N 3.45Å; V29-E33 HydrophobicContact CG1-CG 4.12Å; V29-E33 WeakPolarHBondContact O-CG 3.33Å; V29-E33 PolarHBondContact O-N 3.23Å; V29-A173 HydrophobicContact CG1-CB 4.28Å; V29-A173 HydrophobicContact CG2-CB 4.47Å |
| 30 | E | 98.7 | Very high | 98 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56.4 | -42.8 | -179.7 | -169.4 | -179 | 177.1 | 0 | 0 | 112.3 | Y26 G28 S32 E33 K34 | Y26-E30 HydrophobicContact CD2-CB 4.24Å; Y26-E30 HydrophobicContact CD2-CG 4.23Å; Y26-E30 HydrophobicContact CE2-CB 4.1Å; Y26-E30 HydrophobicContact CE2-CG 3.74Å; G28-E30 VanDerWaalsContact C-N 3.34Å; G28-E30 PolarHBondContact O-N 3.45Å; E30-S32 PolarHBondContact O-N 3.22Å; E30-E33 PolarHBondContact O-N 3.4Å; E30-K34 WeakPolarHBondContact O-CB 3.42Å; E30-K34 PolarHBondContact O-N 3.48Å |
| 31 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A14 L24 Y26 G28 V29 E33 K34 M35 | A14-A31 HydrophobicContact CB-CB 4.28Å; L24-A31 HydrophobicContact CD1-CB 3.84Å; Y26-A31 HydrophobicContact CD2-CB 3.89Å; Y26-A31 HydrophobicContact CE2-CB 3.99Å; G28-A31 PolarHBondContact O-N 2.81Å; V29-A31 VanDerWaalsContact C-N 3.3Å; V29-A31 PolarHBondContact O-N 3.49Å; A31-E33 PolarHBondContact O-N 3.05Å; A31-K34 PolarHBondContact O-N 3.14Å; A31-M35 WeakPolarHBondContact O-CG 3.45Å; A31-M35 PolarHBondContact O-N 3.21Å |
| 32 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 177.8 | -39.3 | 0 | 0 | 0 | 0 | 110.9 | G13 A14 G28 V29 E30 K34 M35 A36 D170 A173 R174 | G13-S32 WeakPolarHBondContact CA-OG 3.4Å; A14-S32 PolarHBondContact N-OG 2.98Å; G28-S32 PolarHBondContact O-N 3.45Å; G28-S32 PolarHBondContact O-OG 3.35Å; V29-S32 WeakPolarHBondContact O-CA 3.49Å; V29-S32 VanDerWaalsContact O-CB 3.31Å; V29-S32 WeakPolarHBondContact O-CB 3.23Å; V29-S32 PolarHBondContact O-N 3.45Å; E30-S32 PolarHBondContact O-N 3.22Å; S32-K34 VanDerWaalsContact C-N 3.33Å; S32-K34 PolarHBondContact O-N 2.91Å; S32-M35 PolarHBondContact O-N 3.4Å; S32-A36 PolarHBondContact O-N 3.48Å; S32-D170 VanDerWaalsContact CB-OD1 3.24Å; S32-D170 WeakPolarHBondContact CB-OD1 3.37Å; S32-D170 PolarHBondContact OG-OD1 2.94Å; S32-A173 VanDerWaalsContact CB-CB 3.45Å; S32-R174 WeakPolarHBondContact O-CG 3.32Å |
| 33 | E | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 52 Ų | 52 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.3 | -64.6 | -160.9 | 179 | 0 | 0 | 111.7 | V29 E30 A31 A36 Q37 W177 R180 | V29-E33 HydrophobicContact CG1-CG 4.12Å; V29-E33 WeakPolarHBondContact O-CG 3.33Å; V29-E33 PolarHBondContact O-N 3.23Å; E30-E33 PolarHBondContact O-N 3.4Å; A31-E33 PolarHBondContact O-N 3.05Å; E33-A36 PolarHBondContact O-N 3.35Å; E33-Q37 WeakPolarHBondContact O-CB 3.3Å; E33-Q37 PolarHBondContact O-N 3.37Å; E33-W177 HydrophobicContact CB-CB 4.28Å; E33-W177 HydrophobicContact CB-CG 4.17Å; E33-W177 HydrophobicContact CG-CB 4.02Å; E33-W177 HydrophobicContact CG-CG 4.38Å; E33-R180 IonicContact OE1-CZ 3.33Å; E33-R180 IonicContact OE1-NH1 3.7Å; E33-R180 IonicContact OE1-NH2 2.92Å; E33-R180 PolarHBondContact OE1-NH2 3.35Å; E33-R180 IonicContact OE2-NH2 2.84Å; E33-R180 PolarHBondContact OE2-NH2 3.07Å |
| 34 | K | 98.8 | Very high | 98.4 | Very high | 80 Ų | 80 | 45.9 Ų | 45.9 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.3 | -175.8 | 62.9 | -176.3 | 177.8 | 0 | 112.2 | L24 Y26 E30 A31 S32 Q37 T38 | L24-K34 HydrophobicContact CD1-CB 4.07Å; L24-K34 HydrophobicContact CD1-CG 4.17Å; L24-K34 HydrophobicContact CD2-CG 3.77Å; Y26-K34 WeakPolarHBondContact OH-CG 3.35Å; E30-K34 WeakPolarHBondContact O-CB 3.42Å; E30-K34 PolarHBondContact O-N 3.48Å; A31-K34 PolarHBondContact O-N 3.14Å; S32-K34 VanDerWaalsContact C-N 3.33Å; S32-K34 PolarHBondContact O-N 2.91Å; K34-Q37 WeakPolarHBondContact O-CB 3.09Å; K34-Q37 PolarHBondContact O-N 3.32Å; K34-T38 PolarHBondContact O-N 2.88Å; K34-T38 PolarHBondContact O-OG1 3.32Å; K34-T38 VanDerWaalsContact O-OG1 3.08Å |
| 35 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177 | -67.4 | 172.1 | 82.2 | 0 | 0 | 111.6 | T18 Q21 D22 L24 A31 S32 T38 D39 R174 | T18-M35 HydrophobicContact CG2-CE 3.9Å; T18-M35 HydrophobicContact CG2-SD 4.15Å; T18-M35 WeakPolarHBondContact O-CE 3.29Å; Q21-M35 HydrophobicContact CB-CE 4.42Å; D22-M35 HydrophobicContact CB-CG 4.23Å; L24-M35 HydrophobicContact CD1-CG 3.99Å; A31-M35 WeakPolarHBondContact O-CG 3.45Å; A31-M35 PolarHBondContact O-N 3.21Å; S32-M35 PolarHBondContact O-N 3.4Å; M35-T38 PolarHBondContact O-N 2.95Å; M35-D39 PolarHBondContact O-N 2.88Å; M35-D39 VanDerWaalsContact O-N 3.16Å; M35-R174 VanDerWaalsContact CE-NH2 3.3Å |
| 36 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S32 E33 T38 D39 S40 R174 W177 Y178 | S32-A36 PolarHBondContact O-N 3.48Å; E33-A36 PolarHBondContact O-N 3.35Å; A36-T38 PolarHBondContact O-N 3.49Å; A36-D39 PolarHBondContact O-N 2.92Å; A36-D39 VanDerWaalsContact O-N 3.16Å; A36-S40 PolarHBondContact O-N 2.88Å; A36-R174 HydrophobicContact CB-CB 4Å; A36-R174 HydrophobicContact CB-CG 4.02Å; A36-W177 HydrophobicContact CB-CB 4.3Å; A36-W177 HydrophobicContact CB-CD2 4.05Å; A36-W177 HydrophobicContact CB-CE3 3.72Å; A36-W177 HydrophobicContact CB-CG 4.3Å; A36-W177 HydrophobicContact CB-CZ3 4.47Å; A36-Y178 HydrophobicContact CB-CD2 4.33Å; A36-Y178 HydrophobicContact CB-CE2 3.77Å; A36-Y178 PolarHBondContact O-OH 3.33Å |
| 37 | Q | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 48.6 Ų | 48.6 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 174.4 | -175.9 | -174.3 | 49 | 0 | 0 | 111.6 | E33 K34 D39 S40 W177 | E33-Q37 WeakPolarHBondContact O-CB 3.3Å; E33-Q37 PolarHBondContact O-N 3.37Å; K34-Q37 WeakPolarHBondContact O-CB 3.09Å; K34-Q37 PolarHBondContact O-N 3.32Å; Q37-D39 PolarHBondContact O-N 3.42Å; Q37-S40 WeakPolarHBondContact O-CB 3.4Å; Q37-S40 PolarHBondContact O-N 3.24Å; Q37-S40 PolarHBondContact O-OG 2.94Å; Q37-W177 HydrophobicContact CB-CH2 4.12Å; Q37-W177 HydrophobicContact CB-CZ2 3.59Å; Q37-W177 HydrophobicContact CG-CH2 4.34Å; Q37-W177 HydrophobicContact CG-CZ2 3.79Å |
| 38 | T | 98.6 | Very high | 98.6 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 39% | 0.387 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.1 | -34.6 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | K34 M35 A36 R42 | K34-T38 PolarHBondContact O-N 2.88Å; K34-T38 PolarHBondContact O-OG1 3.32Å; K34-T38 VanDerWaalsContact O-OG1 3.08Å; M35-T38 PolarHBondContact O-N 2.95Å; A36-T38 PolarHBondContact O-N 3.49Å; T38-R42 PolarHBondContact O-NH2 3.41Å |
| 39 | D | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -84.9 | -20 | -179.5 | -68.8 | -22.9 | 0 | 0 | 0 | 113.6 | M35 A36 Q37 G41 R42 M43 S69 R73 R174 Y178 | M35-D39 PolarHBondContact O-N 2.88Å; M35-D39 VanDerWaalsContact O-N 3.16Å; A36-D39 PolarHBondContact O-N 2.92Å; A36-D39 VanDerWaalsContact O-N 3.16Å; Q37-D39 PolarHBondContact O-N 3.42Å; D39-G41 VanDerWaalsContact C-N 3.35Å; D39-G41 PolarHBondContact O-N 2.95Å; D39-R42 PolarHBondContact O-N 3.11Å; D39-R42 IonicContact OD1-CZ 3.21Å; D39-R42 IonicContact OD1-NH2 2.91Å; D39-R42 PolarHBondContact OD1-NH2 2.88Å; D39-M43 PolarHBondContact O-N 2.9Å; D39-S69 PolarHBondContact OD2-OG 2.96Å; D39-R73 IonicContact OD1-NE 3.78Å; D39-R73 IonicContact OD1-NH2 2.67Å; D39-R73 IonicContact OD2-CZ 2.81Å; D39-R73 IonicContact OD2-NE 3.34Å; D39-R73 PolarHBondContact OD2-NE 3.19Å; D39-R73 IonicContact OD2-NH2 2.84Å; D39-R174 IonicContact OD2-NH1 3.77Å; D39-Y178 WeakPolarHBondContact CB-OH 3.37Å |
| 40 | S | 98.1 | Very high | 98.6 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 22% | 0.217 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.6 | -41.2 | -170 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | A36 Q37 R42 M43 N44 | A36-S40 PolarHBondContact O-N 2.88Å; Q37-S40 WeakPolarHBondContact O-CB 3.4Å; Q37-S40 PolarHBondContact O-N 3.24Å; Q37-S40 PolarHBondContact O-OG 2.94Å; S40-R42 VanDerWaalsContact C-N 3.31Å; S40-R42 PolarHBondContact O-N 3.4Å; S40-M43 WeakPolarHBondContact O-CB 3.43Å; S40-M43 PolarHBondContact O-N 2.86Å; S40-N44 PolarHBondContact O-N 3.33Å; S40-N44 VanDerWaalsContact O-N 3.1Å |
| 41 | G | 98 | Very high | 98.6 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 55% | 0.546 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D39 | D39-G41 VanDerWaalsContact C-N 3.35Å; D39-G41 PolarHBondContact O-N 2.95Å |
| 42 | R | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 25% | 0.249 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.7 | -40 | 173.7 | -72.2 | -178.3 | -69 | -80.7 | -2.5 | 111.3 | T38 D39 S40 N44 K45 R73 A74 | T38-R42 PolarHBondContact O-NH2 3.41Å; D39-R42 PolarHBondContact O-N 3.11Å; D39-R42 IonicContact OD1-CZ 3.21Å; D39-R42 IonicContact OD1-NH2 2.91Å; D39-R42 PolarHBondContact OD1-NH2 2.88Å; S40-R42 VanDerWaalsContact C-N 3.31Å; S40-R42 PolarHBondContact O-N 3.4Å; R42-N44 PolarHBondContact O-N 2.93Å; R42-K45 WeakPolarHBondContact O-CB 3.43Å; R42-K45 WeakPolarHBondContact O-CG 2.88Å; R42-K45 PolarHBondContact O-N 3.04Å; R42-K45 VanDerWaalsContact O-N 3.16Å; R42-R73 PolarHBondContact NE-O 3.45Å; R42-R73 VanDerWaalsContact NE-O 3.14Å; R42-A74 HydrophobicContact CB-CB 3.67Å |
| 43 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.2 | -34.8 | -178.9 | -164.6 | 64.3 | 71 | 0 | 0 | 112.6 | D39 S40 K45 Y46 K47 I50 A65 I68 A74 Y178 F183 | D39-M43 PolarHBondContact O-N 2.9Å; S40-M43 WeakPolarHBondContact O-CB 3.43Å; S40-M43 PolarHBondContact O-N 2.86Å; M43-K45 PolarHBondContact O-N 3.46Å; M43-K45 VanDerWaalsContact O-N 3.08Å; M43-Y46 PolarHBondContact O-N 2.86Å; M43-K47 PolarHBondContact O-N 2.92Å; M43-I50 HydrophobicContact CG-CD1 4.31Å; M43-I50 HydrophobicContact SD-CD1 3.75Å; M43-A65 HydrophobicContact CE-CB 4.4Å; M43-A65 WeakPolarHBondContact CE-O 3.37Å; M43-A65 HydrophobicContact CG-CB 4.14Å; M43-A65 HydrophobicContact SD-CB 4.13Å; M43-I68 HydrophobicContact CE-CB 3.86Å; M43-I68 HydrophobicContact CE-CG2 3.7Å; M43-I68 HydrophobicContact SD-CB 4.04Å; M43-I68 HydrophobicContact SD-CD1 4.29Å; M43-I68 HydrophobicContact SD-CG2 3.76Å; M43-A74 HydrophobicContact CB-CB 4.5Å; M43-A74 HydrophobicContact CE-CB 3.94Å; M43-A74 HydrophobicContact SD-CB 4.35Å; M43-Y178 HydrophobicContact CB-CE1 4.24Å; M43-Y178 HydrophobicContact CE-CE1 4.47Å; M43-Y178 HydrophobicContact CE-CE2 4.42Å; M43-Y178 WeakPolarHBondContact CE-OH 3.38Å; M43-Y178 HydrophobicContact CG-CE1 4.03Å; M43-F183 HydrophobicContact CB-CZ 4.38Å; M43-F183 HydrophobicContact CG-CE1 4.18Å; M43-F183 HydrophobicContact CG-CE2 4.25Å; M43-F183 HydrophobicContact CG-CZ 3.58Å |
| 44 | N | 97.9 | Very high | 98.5 | Very high | 91 Ų | 91 | 45.8 Ų | 45.8 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -55.8 | -27.5 | 179.5 | -79 | -25.8 | 0 | 0 | 0 | 114 | S40 R42 Y46 K47 | S40-N44 PolarHBondContact O-N 3.33Å; S40-N44 VanDerWaalsContact O-N 3.1Å; R42-N44 PolarHBondContact O-N 2.93Å; N44-Y46 PolarHBondContact O-N 3.37Å; N44-K47 WeakPolarHBondContact O-CB 3.24Å; N44-K47 PolarHBondContact O-N 3.06Å |
| 45 | K | 98.1 | Very high | 98.4 | Very high | 155 Ų | 155 | 46.8 Ų | 46.8 | 67% | 0.674 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -61 | -28.4 | 175.8 | -62.7 | 179.6 | -179.4 | -177.6 | 0 | 113 | R42 M43 | R42-K45 WeakPolarHBondContact O-CB 3.43Å; R42-K45 WeakPolarHBondContact O-CG 2.88Å; R42-K45 PolarHBondContact O-N 3.04Å; R42-K45 VanDerWaalsContact O-N 3.16Å; M43-K45 PolarHBondContact O-N 3.46Å; M43-K45 VanDerWaalsContact O-N 3.08Å |
| 46 | Y | 98.7 | Very high | 98.3 | Very high | 19 Ų | 19 | 51.6 Ų | 51.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -106.4 | 1.3 | -174.3 | -46.2 | -60.9 | 0 | 0 | 0 | 112.7 | M43 N44 S48 K49 I50 A74 L91 D106 | M43-Y46 PolarHBondContact O-N 2.86Å; N44-Y46 PolarHBondContact O-N 3.37Å; Y46-S48 PolarHBondContact O-N 2.73Å; Y46-K49 PolarHBondContact O-N 3.15Å; Y46-K49 VanDerWaalsContact O-N 3.16Å; Y46-I50 VanDerWaalsContact O-CG1 3.32Å; Y46-I50 WeakPolarHBondContact O-CG1 3.43Å; Y46-I50 PolarHBondContact O-N 2.71Å; Y46-A74 HydrophobicContact CE2-CB 4.46Å; Y46-L91 HydrophobicContact CD1-CD1 3.76Å; Y46-L91 HydrophobicContact CD2-CD1 3.84Å; Y46-L91 HydrophobicContact CD2-CD2 4.2Å; Y46-L91 HydrophobicContact CE1-CD1 3.95Å; Y46-L91 HydrophobicContact CE2-CD1 4.01Å; Y46-L91 HydrophobicContact CE2-CD2 3.67Å; Y46-L91 HydrophobicContact CG-CD1 3.71Å; Y46-D106 HydrophobicContact CD1-CB 4.3Å; Y46-D106 HydrophobicContact CE1-CB 3.75Å |
| 47 | K | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 27% | 0.274 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.1 | -42.3 | -170.1 | -174.7 | 170.5 | -175.9 | 170.5 | 0 | 113.6 | M43 N44 I50 N51 G182 F183 | M43-K47 PolarHBondContact O-N 2.92Å; N44-K47 WeakPolarHBondContact O-CB 3.24Å; N44-K47 PolarHBondContact O-N 3.06Å; K47-I50 PolarHBondContact O-N 2.96Å; K47-N51 WeakPolarHBondContact O-CB 3.11Å; K47-N51 PolarHBondContact O-N 3.5Å; K47-G182 WeakPolarHBondContact CE-O 2.98Å; K47-G182 PolarHBondContact NZ-O 2.91Å; K47-F183 HydrophobicContact CB-CE1 4.13Å; K47-F183 HydrophobicContact CB-CZ 4.11Å; K47-F183 HydrophobicContact CD-CE1 4.44Å; K47-F183 HydrophobicContact CD-CE2 4.44Å; K47-F183 HydrophobicContact CD-CZ 4.13Å; K47-F183 HydrophobicContact CG-CD1 4.43Å; K47-F183 HydrophobicContact CG-CE1 3.82Å; K47-F183 HydrophobicContact CG-CZ 3.93Å |
| 48 | S | 98.6 | Very high | 98 | Very high | 92 Ų | 92 | 50.4 Ų | 50.4 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | 178.6 | 69.8 | 0 | 0 | 0 | 0 | 112.1 | Y46 N51 S52 | Y46-S48 PolarHBondContact O-N 2.73Å; S48-N51 PolarHBondContact O-N 3.21Å; S48-S52 WeakPolarHBondContact O-CB 3.44Å; S48-S52 PolarHBondContact O-N 3.4Å |
| 49 | K | 98.8 | Very high | 98 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.5 | -62.5 | 176 | 177.1 | 173.8 | 0 | 111.1 | Y46 N51 S52 V53 D106 L111 | Y46-K49 PolarHBondContact O-N 3.15Å; Y46-K49 VanDerWaalsContact O-N 3.16Å; K49-N51 PolarHBondContact O-N 3.27Å; K49-S52 PolarHBondContact O-N 2.91Å; K49-V53 WeakPolarHBondContact O-CG2 3.32Å; K49-V53 PolarHBondContact O-N 3.32Å; K49-D106 WeakPolarHBondContact CD-O 3.48Å; K49-D106 PolarHBondContact NZ-O 3.39Å; K49-D106 IonicContact NZ-OD2 2.92Å; K49-L111 HydrophobicContact CB-CD1 3.88Å |
| 50 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.7 | -70.3 | 165.3 | 0 | 0 | 0 | 110.8 | M43 Y46 K47 G54 P61 I64 A65 I68 L111 F183 | M43-I50 HydrophobicContact CG-CD1 4.31Å; M43-I50 HydrophobicContact SD-CD1 3.75Å; Y46-I50 VanDerWaalsContact O-CG1 3.32Å; Y46-I50 WeakPolarHBondContact O-CG1 3.43Å; Y46-I50 PolarHBondContact O-N 2.71Å; K47-I50 PolarHBondContact O-N 2.96Å; I50-G54 PolarHBondContact O-N 3.44Å; I50-P61 HydrophobicContact CG2-CB 3.89Å; I50-P61 VanDerWaalsContact CG2-O 3.3Å; I50-P61 WeakPolarHBondContact CG2-O 3.4Å; I50-I64 HydrophobicContact CG1-CG2 4.18Å; I50-I64 HydrophobicContact CG2-CB 3.97Å; I50-I64 HydrophobicContact CG2-CG2 4.03Å; I50-A65 HydrophobicContact CD1-CB 4.41Å; I50-I68 HydrophobicContact CD1-CD1 3.59Å; I50-I68 HydrophobicContact CG1-CD1 3.78Å; I50-L111 HydrophobicContact CG1-CD1 3.91Å; I50-F183 HydrophobicContact CB-CE1 4.44Å; I50-F183 HydrophobicContact CD1-CE1 3.98Å; I50-F183 HydrophobicContact CG2-CD1 4.04Å; I50-F183 HydrophobicContact CG2-CE1 4.12Å |
| 51 | N | 98.6 | Very high | 98 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.7 | -72.1 | -7.8 | 0 | 0 | 0 | 112.2 | K47 S48 K49 S55 P61 | K47-N51 WeakPolarHBondContact O-CB 3.11Å; K47-N51 PolarHBondContact O-N 3.5Å; S48-N51 PolarHBondContact O-N 3.21Å; K49-N51 PolarHBondContact O-N 3.27Å; N51-S55 WeakPolarHBondContact O-CB 3.47Å; N51-S55 PolarHBondContact O-N 3.31Å; N51-P61 VanDerWaalsContact OD1-CB 3.29Å; N51-P61 WeakPolarHBondContact OD1-CB 3.47Å |
| 52 | S | 98.6 | Very high | 98 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.2 | -53.8 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | S48 K49 S55 Q56 E108 | S48-S52 WeakPolarHBondContact O-CB 3.44Å; S48-S52 PolarHBondContact O-N 3.4Å; K49-S52 PolarHBondContact O-N 2.91Å; S52-S55 PolarHBondContact O-N 2.88Å; S52-Q56 VanDerWaalsContact O-CG 3.24Å; S52-Q56 WeakPolarHBondContact O-CG 3.29Å; S52-Q56 PolarHBondContact O-N 3.44Å; S52-Q56 PolarHBondContact OG-NE2 2.94Å; S52-Q56 VanDerWaalsContact OG-NE2 3.14Å; S52-E108 PolarHBondContact OG-OE1 3.4Å; S52-E108 PolarHBondContact OG-OE2 3.31Å |
| 53 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | K49 S55 Q56 C57 I64 E108 L111 R112 T115 | K49-V53 WeakPolarHBondContact O-CG2 3.32Å; K49-V53 PolarHBondContact O-N 3.32Å; V53-S55 VanDerWaalsContact C-N 3.3Å; V53-S55 PolarHBondContact O-N 3.44Å; V53-Q56 PolarHBondContact O-N 2.71Å; V53-C57 VanDerWaalsContact O-CB 3.23Å; V53-C57 WeakPolarHBondContact O-CB 3.41Å; V53-C57 PolarHBondContact O-N 3.23Å; V53-C57 PolarHBondContact O-SG 3.06Å; V53-I64 HydrophobicContact CB-CD1 4.48Å; V53-I64 HydrophobicContact CG1-CD1 4.12Å; V53-E108 HydrophobicContact CG2-CG 3.46Å; V53-E108 VanDerWaalsContact CG2-CG 3.46Å; V53-L111 HydrophobicContact CB-CB 4.49Å; V53-L111 HydrophobicContact CG1-CB 4.45Å; V53-L111 HydrophobicContact CG2-CB 3.96Å; V53-R112 HydrophobicContact CG1-CB 4.45Å; V53-R112 HydrophobicContact CG2-CB 4.38Å; V53-T115 HydrophobicContact CG1-CG2 4.29Å |
| 54 | G | 97.8 | Very high | 98 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I50 C57 G58 I59 | I50-G54 PolarHBondContact O-N 3.44Å; G54-C57 PolarHBondContact O-N 3.02Å; G54-G58 WeakPolarHBondContact O-CA 3.32Å; G54-G58 PolarHBondContact O-N 2.93Å; G54-I59 CarbonylContact C-O 3.5Å; G54-I59 VanDerWaalsContact C-O 3.27Å; G54-I59 WeakPolarHBondContact CA-O 3.25Å; G54-I59 PolarHBondContact O-N 2.84Å; G54-I59 VanDerWaalsContact O-O 3.06Å |
| 55 | S | 96.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 71% | 0.706 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.7 | -48.4 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | N51 S52 V53 C57 G58 | N51-S55 WeakPolarHBondContact O-CB 3.47Å; N51-S55 PolarHBondContact O-N 3.31Å; S52-S55 PolarHBondContact O-N 2.88Å; V53-S55 VanDerWaalsContact C-N 3.3Å; V53-S55 PolarHBondContact O-N 3.44Å; S55-C57 VanDerWaalsContact C-N 3.35Å; S55-C57 PolarHBondContact O-N 3.45Å; S55-G58 PolarHBondContact O-N 3.33Å |
| 56 | Q | 96.8 | Very high | 98.1 | Very high | 101 Ų | 101 | 32 Ų | 32 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.5 | -34.3 | -177.8 | -68.6 | 160.6 | -3.8 | 0 | 0 | 112.8 | S52 V53 E108 | S52-Q56 VanDerWaalsContact O-CG 3.24Å; S52-Q56 WeakPolarHBondContact O-CG 3.29Å; S52-Q56 PolarHBondContact O-N 3.44Å; S52-Q56 PolarHBondContact OG-NE2 2.94Å; S52-Q56 VanDerWaalsContact OG-NE2 3.14Å; V53-Q56 PolarHBondContact O-N 2.71Å; Q56-E108 PolarHBondContact NE2-OE1 2.86Å; Q56-E108 PolarHBondContact OE1-OE1 3.5Å |
| 57 | C | 95.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 18% | 0.176 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -91.1 | -12.6 | -177 | -69.9 | 0 | 0 | 0 | 0 | 113.6 | V53 G54 S55 I59 T115 I119 | V53-C57 VanDerWaalsContact O-CB 3.23Å; V53-C57 WeakPolarHBondContact O-CB 3.41Å; V53-C57 PolarHBondContact O-N 3.23Å; V53-C57 PolarHBondContact O-SG 3.06Å; G54-C57 PolarHBondContact O-N 3.02Å; S55-C57 VanDerWaalsContact C-N 3.35Å; S55-C57 PolarHBondContact O-N 3.45Å; C57-I59 VanDerWaalsContact C-N 3.33Å; C57-I59 HydrophobicContact CB-CG1 4.41Å; C57-T115 HydrophobicContact CB-CG2 3.69Å; C57-I119 HydrophobicContact CB-CD1 3.83Å |
| 58 | G | 95.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 40% | 0.402 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 30.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y3 G54 S55 | Y3-G58 WeakPolarHBondContact CD2-O 3.24Å; G54-G58 WeakPolarHBondContact O-CA 3.32Å; G54-G58 PolarHBondContact O-N 2.93Å; S55-G58 PolarHBondContact O-N 3.33Å |
| 59 | I | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.036 | 14% | 0.144 | C | C | . | . | trans | -112.3 | 137.3 | 177.2 | -68 | -70.6 | 0 | 0 | 0 | 108.5 | Y3 G54 C57 P61 L63 I64 T115 L118 I119 I122 | Y3-I59 HydrophobicContact CD2-CD1 3.45Å; Y3-I59 VanDerWaalsContact CD2-CD1 3.45Å; Y3-I59 HydrophobicContact CD2-CG1 4.18Å; Y3-I59 HydrophobicContact CE2-CD1 4.13Å; Y3-I59 HydrophobicContact CE2-CG1 4.49Å; Y3-I59 HydrophobicContact CG-CD1 4Å; G54-I59 CarbonylContact C-O 3.5Å; G54-I59 VanDerWaalsContact C-O 3.27Å; G54-I59 WeakPolarHBondContact CA-O 3.25Å; G54-I59 PolarHBondContact O-N 2.84Å; G54-I59 VanDerWaalsContact O-O 3.06Å; C57-I59 VanDerWaalsContact C-N 3.33Å; C57-I59 HydrophobicContact CB-CG1 4.41Å; I59-P61 WeakPolarHBondContact O-CD 3.49Å; I59-L63 HydrophobicContact CG2-CB 4.35Å; I59-L63 HydrophobicContact CG2-CD2 4.2Å; I59-L63 HydrophobicContact CG2-CG 4.5Å; I59-I64 HydrophobicContact CG2-CD1 4.19Å; I59-I64 HydrophobicContact CG2-CG1 3.83Å; I59-T115 HydrophobicContact CB-CG2 4.07Å; I59-T115 HydrophobicContact CG1-CG2 3.85Å; I59-T115 HydrophobicContact CG2-CG2 4.4Å; I59-L118 HydrophobicContact CG2-CD2 4.42Å; I59-I119 HydrophobicContact CD1-CG1 3.96Å; I59-I119 HydrophobicContact CG1-CD1 3.92Å; I59-I119 HydrophobicContact CG1-CG1 3.86Å; I59-I122 HydrophobicContact CD1-CD1 3.96Å | ||
| 60 | D | 97.9 | Very high | 98.2 | Very high | 42 Ų | 42 | 22.1 Ų | 22.1 | 23% | 0.225 | 14% | 0.136 | C | C | . | . | trans | -58.4 | 123.5 | 177.6 | -163.6 | -54.9 | 0 | 0 | 0 | 110.4 | I6 A62 L63 I64 K179 | I6-D60 HydrophobicContact CG2-CB 4.34Å; D60-A62 PolarHBondContact O-N 3.04Å; D60-A62 VanDerWaalsContact O-N 3.11Å; D60-A62 VanDerWaalsContact OD1-CB 3.24Å; D60-A62 WeakPolarHBondContact OD1-CB 3.49Å; D60-A62 PolarHBondContact OD1-N 3.17Å; D60-L63 HydrophobicContact CB-CB 4.48Å; D60-L63 WeakPolarHBondContact O-CB 3.44Å; D60-L63 PolarHBondContact O-N 3.38Å; D60-I64 PolarHBondContact O-N 3Å; D60-K179 IonicContact OD1-NZ 2.94Å; D60-K179 PolarHBondContact OD1-NZ 3.46Å; D60-K179 WeakPolarHBondContact OD2-CD 3.11Å; D60-K179 VanDerWaalsContact OD2-CE 3.27Å; D60-K179 WeakPolarHBondContact OD2-CE 3.19Å; D60-K179 IonicContact OD2-NZ 2.76Å; D60-K179 PolarHBondContact OD2-NZ 3.42Å | ||
| 61 | P | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 14% | 0.143 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.5 | -30.7 | 178.8 | -26.2 | 34.7 | 0 | 0 | 0 | 113.3 | I50 N51 I59 L63 I64 A65 | I50-P61 HydrophobicContact CG2-CB 3.89Å; I50-P61 VanDerWaalsContact CG2-O 3.3Å; I50-P61 WeakPolarHBondContact CG2-O 3.4Å; N51-P61 VanDerWaalsContact OD1-CB 3.29Å; N51-P61 WeakPolarHBondContact OD1-CB 3.47Å; I59-P61 WeakPolarHBondContact O-CD 3.49Å; P61-L63 VanDerWaalsContact C-N 3.28Å; P61-L63 PolarHBondContact O-N 3.32Å; P61-I64 PolarHBondContact O-N 3.16Å; P61-A65 PolarHBondContact O-N 3.47Å |
| 62 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.7 | -30.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D60 A66 A175 K179 F183 | D60-A62 PolarHBondContact O-N 3.04Å; D60-A62 VanDerWaalsContact O-N 3.11Å; D60-A62 VanDerWaalsContact OD1-CB 3.24Å; D60-A62 WeakPolarHBondContact OD1-CB 3.49Å; D60-A62 PolarHBondContact OD1-N 3.17Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 3.45Å; A62-A175 WeakPolarHBondContact CB-O 3.3Å; A62-K179 HydrophobicContact CB-CB 3.95Å; A62-K179 HydrophobicContact CB-CD 3.88Å; A62-F183 HydrophobicContact CB-CB 3.81Å |
| 63 | L | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.7 | -41.4 | 174.1 | 177.6 | 56.1 | 0 | 0 | 0 | 111.4 | I6 I59 D60 P61 A66 I67 L118 L138 I142 V171 A175 | I6-L63 HydrophobicContact CD1-CD1 4.21Å; I59-L63 HydrophobicContact CG2-CB 4.35Å; I59-L63 HydrophobicContact CG2-CD2 4.2Å; I59-L63 HydrophobicContact CG2-CG 4.5Å; D60-L63 HydrophobicContact CB-CB 4.48Å; D60-L63 WeakPolarHBondContact O-CB 3.44Å; D60-L63 PolarHBondContact O-N 3.38Å; P61-L63 VanDerWaalsContact C-N 3.28Å; P61-L63 PolarHBondContact O-N 3.32Å; L63-A66 WeakPolarHBondContact O-CB 3.48Å; L63-A66 PolarHBondContact O-N 2.84Å; L63-I67 HydrophobicContact CD1-CD1 4.22Å; L63-I67 HydrophobicContact CD1-CG1 4.35Å; L63-I67 HydrophobicContact CG-CD1 4.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.29Å; L63-I67 PolarHBondContact O-N 2.92Å; L63-L118 HydrophobicContact CD2-CD2 4.08Å; L63-L118 HydrophobicContact CG-CD2 4.39Å; L63-L138 HydrophobicContact CD2-CD1 3.94Å; L63-I142 HydrophobicContact CD1-CD1 3.57Å; L63-I142 HydrophobicContact CD1-CG1 4.04Å; L63-I142 HydrophobicContact CD2-CD1 4.06Å; L63-I142 HydrophobicContact CD2-CG1 4.29Å; L63-I142 HydrophobicContact CG-CD1 4.49Å; L63-V171 HydrophobicContact CD1-CG1 3.7Å; L63-A175 HydrophobicContact CD1-CB 4.47Å |
| 64 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 175.5 | -59.8 | 174.7 | 0 | 0 | 0 | 109.6 | I50 V53 I59 D60 P61 A66 I67 I68 M92 T115 | I50-I64 HydrophobicContact CG1-CG2 4.18Å; I50-I64 HydrophobicContact CG2-CB 3.97Å; I50-I64 HydrophobicContact CG2-CG2 4.03Å; V53-I64 HydrophobicContact CB-CD1 4.48Å; V53-I64 HydrophobicContact CG1-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CD1 4.19Å; I59-I64 HydrophobicContact CG2-CG1 3.83Å; D60-I64 PolarHBondContact O-N 3Å; P61-I64 PolarHBondContact O-N 3.16Å; I64-A66 VanDerWaalsContact C-N 3.29Å; I64-A66 PolarHBondContact O-N 3.47Å; I64-I67 PolarHBondContact O-N 2.89Å; I64-I68 HydrophobicContact CG2-CD1 3.97Å; I64-I68 VanDerWaalsContact O-CG1 3.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.48Å; I64-I68 PolarHBondContact O-N 3.33Å; I64-M92 HydrophobicContact CG2-CE 4.4Å; I64-M92 HydrophobicContact CG2-SD 3.89Å; I64-T115 HydrophobicContact CD1-CG2 4.17Å |
| 65 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.1 | -40.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M43 I50 P61 I68 S69 Y178 F183 | M43-A65 HydrophobicContact CE-CB 4.4Å; M43-A65 WeakPolarHBondContact CE-O 3.37Å; M43-A65 HydrophobicContact CG-CB 4.14Å; M43-A65 HydrophobicContact SD-CB 4.13Å; I50-A65 HydrophobicContact CD1-CB 4.41Å; P61-A65 PolarHBondContact O-N 3.47Å; A65-I68 PolarHBondContact O-N 3.27Å; A65-S69 WeakPolarHBondContact O-CB 3.34Å; A65-S69 PolarHBondContact O-N 2.74Å; A65-Y178 HydrophobicContact CB-CD1 4.18Å; A65-Y178 HydrophobicContact CB-CD2 3.92Å; A65-Y178 HydrophobicContact CB-CE1 4.48Å; A65-Y178 HydrophobicContact CB-CE2 4.26Å; A65-Y178 HydrophobicContact CB-CG 3.9Å; A65-F183 HydrophobicContact CB-CD1 3.8Å; A65-F183 HydrophobicContact CB-CE1 3.87Å; A65-F183 HydrophobicContact CB-CG 4.21Å; A65-F183 HydrophobicContact CB-CZ 4.35Å |
| 66 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A62 L63 I64 S69 R70 V171 R174 A175 Y178 | A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 3.45Å; L63-A66 WeakPolarHBondContact O-CB 3.48Å; L63-A66 PolarHBondContact O-N 2.84Å; I64-A66 VanDerWaalsContact C-N 3.29Å; I64-A66 PolarHBondContact O-N 3.47Å; A66-S69 WeakPolarHBondContact O-CB 3.32Å; A66-S69 PolarHBondContact O-N 2.73Å; A66-R70 PolarHBondContact O-N 3.39Å; A66-V171 HydrophobicContact CB-CG1 3.99Å; A66-V171 VanDerWaalsContact CB-O 3.29Å; A66-V171 WeakPolarHBondContact CB-O 3.43Å; A66-R174 HydrophobicContact CB-CB 3.82Å; A66-A175 HydrophobicContact CB-CB 3.6Å; A66-Y178 HydrophobicContact CB-CD2 4.22Å |
| 67 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.8 | -67.5 | 168.3 | 0 | 0 | 0 | 109.7 | L63 I64 S69 R70 E71 M92 L118 Y145 V171 | L63-I67 HydrophobicContact CD1-CD1 4.22Å; L63-I67 HydrophobicContact CD1-CG1 4.35Å; L63-I67 HydrophobicContact CG-CD1 4.28Å; L63-I67 WeakPolarHBondContact O-CG1 3.29Å; L63-I67 PolarHBondContact O-N 2.92Å; I64-I67 PolarHBondContact O-N 2.89Å; I67-S69 VanDerWaalsContact C-N 3.28Å; I67-S69 PolarHBondContact O-N 3.27Å; I67-R70 PolarHBondContact O-N 2.96Å; I67-R70 VanDerWaalsContact O-N 3.11Å; I67-E71 HydrophobicContact CG2-CG 3.84Å; I67-E71 VanDerWaalsContact O-CB 3.31Å; I67-E71 WeakPolarHBondContact O-CB 3.45Å; I67-E71 VanDerWaalsContact O-CG 3.29Å; I67-E71 WeakPolarHBondContact O-CG 3.32Å; I67-E71 PolarHBondContact O-N 3.4Å; I67-M92 HydrophobicContact CB-CE 4.03Å; I67-M92 HydrophobicContact CD1-CE 4.12Å; I67-M92 HydrophobicContact CG2-CB 4.35Å; I67-M92 HydrophobicContact CG2-CE 3.65Å; I67-M92 HydrophobicContact CG2-CG 4.27Å; I67-L118 HydrophobicContact CD1-CD1 4.23Å; I67-L118 HydrophobicContact CD1-CD2 3.63Å; I67-L118 HydrophobicContact CD1-CG 4.46Å; I67-Y145 HydrophobicContact CG2-CE1 4.04Å; I67-V171 HydrophobicContact CG1-CG1 3.78Å |
| 68 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.6 | -42.7 | 175.9 | -65.5 | 166.9 | 0 | 0 | 0 | 111.4 | M43 I50 I64 A65 S72 R73 A74 L91 M92 L111 | M43-I68 HydrophobicContact CE-CB 3.86Å; M43-I68 HydrophobicContact CE-CG2 3.7Å; M43-I68 HydrophobicContact SD-CB 4.04Å; M43-I68 HydrophobicContact SD-CD1 4.29Å; M43-I68 HydrophobicContact SD-CG2 3.76Å; I50-I68 HydrophobicContact CD1-CD1 3.59Å; I50-I68 HydrophobicContact CG1-CD1 3.78Å; I64-I68 HydrophobicContact CG2-CD1 3.97Å; I64-I68 VanDerWaalsContact O-CG1 3.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.48Å; I64-I68 PolarHBondContact O-N 3.33Å; A65-I68 PolarHBondContact O-N 3.27Å; I68-S72 PolarHBondContact O-N 2.99Å; I68-S72 PolarHBondContact O-OG 3.26Å; I68-S72 VanDerWaalsContact O-OG 3.06Å; I68-R73 PolarHBondContact O-N 3.14Å; I68-A74 HydrophobicContact CG2-CB 4.41Å; I68-A74 PolarHBondContact O-N 3.26Å; I68-L91 WeakPolarHBondContact CA-O 3.1Å; I68-L91 HydrophobicContact CD1-CB 4.43Å; I68-L91 HydrophobicContact CG1-CB 4.1Å; I68-L91 HydrophobicContact CG2-CB 4Å; I68-L91 HydrophobicContact CG2-CD2 4.05Å; I68-L91 HydrophobicContact CG2-CG 4.49Å; I68-M92 HydrophobicContact CD1-CG 4.32Å; I68-M92 HydrophobicContact CG1-CG 3.46Å; I68-M92 VanDerWaalsContact CG1-CG 3.46Å; I68-M92 HydrophobicContact CG1-SD 4.31Å; I68-L111 HydrophobicContact CD1-CD2 3.74Å; I68-L111 HydrophobicContact CG1-CD2 4.3Å |
| 69 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | D39 A65 A66 I67 R73 R174 Y178 | D39-S69 PolarHBondContact OD2-OG 2.96Å; A65-S69 WeakPolarHBondContact O-CB 3.34Å; A65-S69 PolarHBondContact O-N 2.74Å; A66-S69 WeakPolarHBondContact O-CB 3.32Å; A66-S69 PolarHBondContact O-N 2.73Å; I67-S69 VanDerWaalsContact C-N 3.28Å; I67-S69 PolarHBondContact O-N 3.27Å; S69-R73 WeakPolarHBondContact O-CA 3.44Å; S69-R73 WeakPolarHBondContact O-CD 3.44Å; S69-R73 PolarHBondContact O-N 3.43Å; S69-R73 PolarHBondContact O-NE 3.33Å; S69-R174 VanDerWaalsContact C-NH1 3.31Å; S69-R174 PolarHBondContact O-NH1 3.48Å; S69-R174 VanDerWaalsContact O-NH1 3.13Å; S69-R174 PolarHBondContact OG-NH1 3.26Å; S69-Y178 WeakPolarHBondContact CB-OH 3.12Å |
| 70 | R | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -43 | 178.2 | 176.5 | 58 | -178.5 | -111.3 | -4.3 | 112.6 | A66 I67 T163 D166 Y167 D170 V171 | A66-R70 PolarHBondContact O-N 3.39Å; I67-R70 PolarHBondContact O-N 2.96Å; I67-R70 VanDerWaalsContact O-N 3.11Å; R70-T163 PolarHBondContact NH2-O 3Å; R70-D166 IonicContact CZ-OD1 3.14Å; R70-D166 VanDerWaalsContact CZ-OD1 3.31Å; R70-D166 IonicContact NH1-OD1 2.76Å; R70-D166 PolarHBondContact NH1-OD1 3.29Å; R70-D166 IonicContact NH2-OD1 3.99Å; R70-D166 PolarHBondContact NH2-OD1 2.74Å; R70-Y167 HydrophobicContact CG-CD2 4.02Å; R70-Y167 HydrophobicContact CG-CE2 3.66Å; R70-D170 WeakPolarHBondContact CD-OD2 3.11Å; R70-D170 IonicContact CZ-OD2 3.93Å; R70-D170 IonicContact NE-OD2 2.96Å; R70-D170 IonicContact NH1-OD2 3.37Å; R70-D170 PolarHBondContact NH1-OD2 2.67Å; R70-V171 HydrophobicContact CB-CG2 3.71Å; R70-V171 HydrophobicContact CG-CG2 3.81Å |
| 71 | E | 98.5 | Very high | 98.3 | Very high | 44 Ų | 44 | 33.7 Ų | 33.7 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -78.9 | -42.5 | -171.5 | -72.1 | -61.5 | 164.8 | 0 | 0 | 113.3 | I67 Q93 Y167 | I67-E71 HydrophobicContact CG2-CG 3.84Å; I67-E71 VanDerWaalsContact O-CB 3.31Å; I67-E71 WeakPolarHBondContact O-CB 3.45Å; I67-E71 VanDerWaalsContact O-CG 3.29Å; I67-E71 WeakPolarHBondContact O-CG 3.32Å; I67-E71 PolarHBondContact O-N 3.4Å; E71-Q93 HydrophobicContact CB-CB 4.03Å; E71-Q93 HydrophobicContact CB-CG 3.8Å; E71-Q93 HydrophobicContact CG-CB 4.28Å; E71-Q93 WeakPolarHBondContact OE2-CB 3.48Å; E71-Y167 VanDerWaalsContact OE1-CE2 3.23Å; E71-Y167 WeakPolarHBondContact OE1-CE2 3.3Å; E71-Y167 VanDerWaalsContact OE1-CZ 3.26Å; E71-Y167 PolarHBondContact OE1-OH 3.25Å |
| 72 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -133.6 | 2.6 | -167.6 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | I68 A74 G75 N76 V77 L91 | I68-S72 PolarHBondContact O-N 2.99Å; I68-S72 PolarHBondContact O-OG 3.26Å; I68-S72 VanDerWaalsContact O-OG 3.06Å; S72-A74 PolarHBondContact O-N 3.38Å; S72-G75 CarbonylContact O-C 3.33Å; S72-G75 WeakPolarHBondContact O-CA 3.33Å; S72-G75 PolarHBondContact O-N 2.98Å; S72-G75 PolarHBondContact OG-N 2.85Å; S72-N76 PolarHBondContact O-N 3.45Å; S72-V77 WeakPolarHBondContact O-CG2 3.37Å; S72-V77 PolarHBondContact O-N 3.25Å; S72-L91 WeakPolarHBondContact CB-O 3.29Å; S72-L91 PolarHBondContact OG-O 2.78Å |
| 73 | R | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 7% | 0.068 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 42.3 | -172 | -45.7 | -49.2 | -55.1 | -102.2 | -10.2 | 111.2 | D22 D39 R42 I68 S69 N76 V77 | D22-R73 IonicContact OD1-CZ 2.71Å; D22-R73 IonicContact OD1-NH1 3.62Å; D22-R73 PolarHBondContact OD1-NH1 2.99Å; D22-R73 IonicContact OD1-NH2 3.21Å; D22-R73 PolarHBondContact OD1-NH2 3.22Å; D22-R73 VanDerWaalsContact OD1-NH2 3.14Å; D22-R73 IonicContact OD2-CZ 3.6Å; D22-R73 IonicContact OD2-NH1 2.81Å; D22-R73 IonicContact OD2-NH2 3.5Å; D22-R73 PolarHBondContact OD2-NH2 2.85Å; D39-R73 IonicContact OD1-NE 3.78Å; D39-R73 IonicContact OD1-NH2 2.67Å; D39-R73 IonicContact OD2-CZ 2.81Å; D39-R73 IonicContact OD2-NE 3.34Å; D39-R73 PolarHBondContact OD2-NE 3.19Å; D39-R73 IonicContact OD2-NH2 2.84Å; R42-R73 PolarHBondContact NE-O 3.45Å; R42-R73 VanDerWaalsContact NE-O 3.14Å; I68-R73 PolarHBondContact O-N 3.14Å; S69-R73 WeakPolarHBondContact O-CA 3.44Å; S69-R73 WeakPolarHBondContact O-CD 3.44Å; S69-R73 PolarHBondContact O-N 3.43Å; S69-R73 PolarHBondContact O-NE 3.33Å; R73-N76 HydrophobicContact CB-CB 4.07Å; R73-N76 VanDerWaalsContact O-CB 3.27Å; R73-N76 WeakPolarHBondContact O-CB 3.49Å; R73-N76 PolarHBondContact O-N 3.3Å; R73-V77 HydrophobicContact CB-CG1 4.24Å; R73-V77 HydrophobicContact CG-CG1 3.72Å; R73-V77 HydrophobicContact CG-CG2 4.25Å |
| 74 | A | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 42.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | R42 M43 Y46 I68 S72 N76 | R42-A74 HydrophobicContact CB-CB 3.67Å; M43-A74 HydrophobicContact CB-CB 4.5Å; M43-A74 HydrophobicContact CE-CB 3.94Å; M43-A74 HydrophobicContact SD-CB 4.35Å; Y46-A74 HydrophobicContact CE2-CB 4.46Å; I68-A74 HydrophobicContact CG2-CB 4.41Å; I68-A74 PolarHBondContact O-N 3.26Å; S72-A74 PolarHBondContact O-N 3.38Å; A74-N76 VanDerWaalsContact C-N 3.34Å |
| 75 | G | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -5.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | S72 V77 L78 | S72-G75 CarbonylContact O-C 3.33Å; S72-G75 WeakPolarHBondContact O-CA 3.33Å; S72-G75 PolarHBondContact O-N 2.98Å; S72-G75 PolarHBondContact OG-N 2.85Å; G75-V77 VanDerWaalsContact C-N 3.26Å; G75-V77 PolarHBondContact O-N 3.37Å; G75-L78 PolarHBondContact O-N 3.46Å; G75-L78 VanDerWaalsContact O-N 3.17Å |
| 76 | N | 98.2 | Very high | 97.1 | Very high | 104 Ų | 104 | 51.8 Ų | 51.8 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.1 | -171.9 | -164.2 | 65.8 | 0 | 0 | 0 | 114.5 | S72 R73 A74 | S72-N76 PolarHBondContact O-N 3.45Å; R73-N76 HydrophobicContact CB-CB 4.07Å; R73-N76 VanDerWaalsContact O-CB 3.27Å; R73-N76 WeakPolarHBondContact O-CB 3.49Å; R73-N76 PolarHBondContact O-N 3.3Å; A74-N76 VanDerWaalsContact C-N 3.34Å |
| 77 | V | 96.8 | Very high | 97 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 0.9 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | S72 R73 G75 | S72-V77 WeakPolarHBondContact O-CG2 3.37Å; S72-V77 PolarHBondContact O-N 3.25Å; R73-V77 HydrophobicContact CB-CG1 4.24Å; R73-V77 HydrophobicContact CG-CG1 3.72Å; R73-V77 HydrophobicContact CG-CG2 4.25Å; G75-V77 VanDerWaalsContact C-N 3.26Å; G75-V77 PolarHBondContact O-N 3.37Å |
| 78 | L | 97.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | trans | -86.7 | 151.5 | -177.6 | -55.2 | -175.6 | 0 | 0 | 0 | 111.7 | G75 W82 Q93 W105 | G75-L78 PolarHBondContact O-N 3.46Å; G75-L78 VanDerWaalsContact O-N 3.17Å; L78-W82 WeakPolarHBondContact CA-O 3.3Å; L78-Q93 VanDerWaalsContact CD2-NE2 3.26Å; L78-W105 HydrophobicContact CD1-CE3 3.83Å; L78-W105 HydrophobicContact CD1-CZ3 4.05Å | ||
| 79 | R | 97.4 | Very high | 96.9 | Very high | 216 Ų | 216 | 54.7 Ų | 54.7 | 82% | 0.815 | 28% | 0.276 | S | S | * | . | B | Isolated β-bridge | trans | -115.3 | 107.8 | 167.9 | -64.9 | -164.1 | -178 | -125.9 | 3.5 | 109.5 | G81 W82 | R79-G81 PolarHBondContact O-N 3.34Å; R79-W82 PolarHBondContact N-O 2.94Å; R79-W82 WeakPolarHBondContact O-CB 3.4Å; R79-W82 PolarHBondContact O-N 3.4Å |
| 80 | N | 95.8 | Very high | 96.8 | Very high | 146 Ų | 146 | 54.7 Ų | 54.7 | 78% | 0.781 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 42.3 | -174.9 | -60 | -26.5 | 0 | 0 | 0 | 112.7 | W82 | N80-W82 VanDerWaalsContact C-N 3.28Å; N80-W82 PolarHBondContact O-N 3.32Å |
| 81 | G | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -11.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R79 G90 W105 | R79-G81 PolarHBondContact O-N 3.34Å; G81-G90 PolarHBondContact O-N 3.34Å; G81-W105 VanDerWaalsContact CA-CG 3.46Å |
| 82 | W | 98 | Very high | 96.9 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.5 | -179.3 | -63.7 | 98.5 | 0 | 0 | 0 | 112.2 | L78 R79 N80 G86 G88 W89 I96 K101 | L78-W82 WeakPolarHBondContact CA-O 3.3Å; R79-W82 PolarHBondContact N-O 2.94Å; R79-W82 WeakPolarHBondContact O-CB 3.4Å; R79-W82 PolarHBondContact O-N 3.4Å; N80-W82 VanDerWaalsContact C-N 3.28Å; N80-W82 PolarHBondContact O-N 3.32Å; W82-G86 VanDerWaalsContact CE3-O 3.25Å; W82-G86 WeakPolarHBondContact CZ3-O 3.46Å; W82-G88 WeakPolarHBondContact CA-O 3.35Å; W82-W89 AromaticContact CD1-CZ3 3.89Å; W82-W89 AromaticContact CD2-CE3 3.71Å; W82-W89 HydrophobicContact CD2-CE3 3.71Å; W82-W89 HydrophobicContact CD2-CZ3 4.09Å; W82-W89 AromaticContact CE2-CE3 3.49Å; W82-W89 VanDerWaalsContact CE2-CE3 3.49Å; W82-W89 AromaticContact CE2-CZ3 3.54Å; W82-W89 HydrophobicContact CE3-CE3 4.09Å; W82-W89 HydrophobicContact CG-CE3 4.22Å; W82-W89 HydrophobicContact CG-CZ3 4.32Å; W82-W89 HydrophobicContact CH2-CE3 4.1Å; W82-W89 AromaticContact CZ2-CE3 3.71Å; W82-W89 HydrophobicContact CZ2-CE3 3.71Å; W82-W89 AromaticContact CZ2-CZ3 3.92Å; W82-W89 HydrophobicContact CZ2-CZ3 3.92Å; W82-W89 HydrophobicContact CZ3-CB 4.35Å; W82-W89 HydrophobicContact CZ3-CE3 4.27Å; W82-W89 AromaticContact NE1-CE3 3.84Å; W82-W89 AromaticContact NE1-CZ3 3.41Å; W82-I96 HydrophobicContact CH2-CD1 3.87Å; W82-I96 HydrophobicContact CH2-CG2 4.25Å; W82-I96 HydrophobicContact CZ3-CD1 3.7Å; W82-I96 HydrophobicContact CZ3-CG1 4.05Å; W82-I96 HydrophobicContact CZ3-CG2 3.97Å; W82-K101 HydrophobicContact CH2-CD 3.88Å; W82-K101 HydrophobicContact CZ2-CD 4.08Å |
| 83 | G | 96.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | -168.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | H85 G86 N87 G88 | G83-H85 VanDerWaalsContact C-N 3.34Å; G83-H85 PolarHBondContact O-N 2.92Å; G83-G86 WeakPolarHBondContact O-CA 3.39Å; G83-G86 PolarHBondContact O-N 2.99Å; G83-N87 PolarHBondContact O-N 3.3Å; G83-G88 PolarHBondContact N-O 3.13Å; G83-G88 PolarHBondContact O-N 2.79Å |
| 84 | D | 90.6 | Very high | 96.8 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | 41.1 | 54.3 | -177.4 | -170.5 | 33 | 0 | 0 | 0 | 114.7 | G86 N87 | D84-G86 PolarHBondContact O-N 3.15Å; D84-G86 VanDerWaalsContact O-N 3.07Å; D84-N87 WeakPolarHBondContact O-CB 3.33Å; D84-N87 PolarHBondContact O-N 2.9Å; D84-N87 PolarHBondContact O-ND2 3.32Å |
| 85 | H | 91.7 | Very high | 96.7 | Very high | 187 Ų | 187 | 53.4 Ų | 53.4 | 87% | 0.866 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | 56 | 28.1 | 179.9 | -50.1 | 87.2 | 0 | 0 | 0 | 114.3 | G83 | G83-H85 VanDerWaalsContact C-N 3.34Å; G83-H85 PolarHBondContact O-N 2.92Å |
| 86 | G | 93.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | 94.4 | 3.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W82 G83 D84 | W82-G86 VanDerWaalsContact CE3-O 3.25Å; W82-G86 WeakPolarHBondContact CZ3-O 3.46Å; G83-G86 WeakPolarHBondContact O-CA 3.39Å; G83-G86 PolarHBondContact O-N 2.99Å; D84-G86 PolarHBondContact O-N 3.15Å; D84-G86 VanDerWaalsContact O-N 3.07Å |
| 87 | N | 95.7 | Very high | 96.4 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -27.3 | 177.6 | -58 | -57.8 | 0 | 0 | 0 | 113 | G83 D84 D95 I96 | G83-N87 PolarHBondContact O-N 3.3Å; D84-N87 WeakPolarHBondContact O-CB 3.33Å; D84-N87 PolarHBondContact O-N 2.9Å; D84-N87 PolarHBondContact O-ND2 3.32Å; N87-D95 WeakPolarHBondContact O-CA 3.42Å; N87-I96 WeakPolarHBondContact O-CG1 3.37Å; N87-I96 PolarHBondContact O-N 2.76Å |
| 88 | G | 97.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W82 G83 Q93 | W82-G88 WeakPolarHBondContact CA-O 3.35Å; G83-G88 PolarHBondContact N-O 3.13Å; G83-G88 PolarHBondContact O-N 2.79Å; G88-Q93 PolarHBondContact O-NE2 3.15Å |
| 89 | W | 98.4 | Very high | 96 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 6% | 0.057 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.3 | 175.8 | 178.6 | -105.9 | 0 | 0 | 0 | 112.6 | W82 Q93 V94 I96 K101 G103 W105 H110 | W82-W89 AromaticContact CD1-CZ3 3.89Å; W82-W89 AromaticContact CD2-CE3 3.71Å; W82-W89 HydrophobicContact CD2-CE3 3.71Å; W82-W89 HydrophobicContact CD2-CZ3 4.09Å; W82-W89 AromaticContact CE2-CE3 3.49Å; W82-W89 VanDerWaalsContact CE2-CE3 3.49Å; W82-W89 AromaticContact CE2-CZ3 3.54Å; W82-W89 HydrophobicContact CE3-CE3 4.09Å; W82-W89 HydrophobicContact CG-CE3 4.22Å; W82-W89 HydrophobicContact CG-CZ3 4.32Å; W82-W89 HydrophobicContact CH2-CE3 4.1Å; W82-W89 AromaticContact CZ2-CE3 3.71Å; W82-W89 HydrophobicContact CZ2-CE3 3.71Å; W82-W89 AromaticContact CZ2-CZ3 3.92Å; W82-W89 HydrophobicContact CZ2-CZ3 3.92Å; W82-W89 HydrophobicContact CZ3-CB 4.35Å; W82-W89 HydrophobicContact CZ3-CE3 4.27Å; W82-W89 AromaticContact NE1-CE3 3.84Å; W82-W89 AromaticContact NE1-CZ3 3.41Å; W89-Q93 CarbonylContact O-C 3.32Å; W89-Q93 VanDerWaalsContact O-CA 3.23Å; W89-Q93 WeakPolarHBondContact O-CA 3.29Å; W89-Q93 PolarHBondContact O-N 3.23Å; W89-V94 PolarHBondContact N-O 2.67Å; W89-V94 PolarHBondContact O-N 3.46Å; W89-I96 HydrophobicContact CB-CG2 3.87Å; W89-K101 HydrophobicContact CB-CB 4.21Å; W89-K101 HydrophobicContact CD2-CB 4.39Å; W89-K101 HydrophobicContact CD2-CD 3.74Å; W89-K101 HydrophobicContact CE3-CD 4.12Å; W89-K101 HydrophobicContact CG-CB 3.78Å; W89-K101 HydrophobicContact CG-CD 3.95Å; W89-K101 HydrophobicContact CG-CG 4.41Å; W89-K101 HydrophobicContact CZ2-CD 4.39Å; W89-K101 VanDerWaalsContact CZ2-NZ 3.33Å; W89-G103 PolarHBondContact NE1-O 3.4Å; W89-W105 HydrophobicContact CD2-CB 4.43Å; W89-W105 HydrophobicContact CH2-CB 3.91Å; W89-W105 HydrophobicContact CZ2-CB 3.8Å; W89-W105 HydrophobicContact CZ3-CB 4.26Å; W89-H110 AromaticContact CD1-ND1 3.57Å; W89-H110 PolarHBondContact O-CE1 3.3Å |
| 90 | G | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -179.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G81 M92 Q93 W105 | G81-G90 PolarHBondContact O-N 3.34Å; G90-M92 PolarHBondContact O-N 2.75Å; G90-Q93 PolarHBondContact O-N 2.98Å; G90-Q93 PolarHBondContact O-NE2 3.17Å; G90-W105 CarbonylContact C-O 3.27Å; G90-W105 WeakPolarHBondContact CA-O 3.41Å |
| 91 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -28.3 | -173.2 | -75.6 | 174 | 0 | 0 | 0 | 114.4 | Y46 I68 S72 W105 D106 H110 L111 | Y46-L91 HydrophobicContact CD1-CD1 3.76Å; Y46-L91 HydrophobicContact CD2-CD1 3.84Å; Y46-L91 HydrophobicContact CD2-CD2 4.2Å; Y46-L91 HydrophobicContact CE1-CD1 3.95Å; Y46-L91 HydrophobicContact CE2-CD1 4.01Å; Y46-L91 HydrophobicContact CE2-CD2 3.67Å; Y46-L91 HydrophobicContact CG-CD1 3.71Å; I68-L91 WeakPolarHBondContact CA-O 3.1Å; I68-L91 HydrophobicContact CD1-CB 4.43Å; I68-L91 HydrophobicContact CG1-CB 4.1Å; I68-L91 HydrophobicContact CG2-CB 4Å; I68-L91 HydrophobicContact CG2-CD2 4.05Å; I68-L91 HydrophobicContact CG2-CG 4.49Å; S72-L91 WeakPolarHBondContact CB-O 3.29Å; S72-L91 PolarHBondContact OG-O 2.78Å; L91-W105 HydrophobicContact CD2-CE3 4.25Å; L91-W105 HydrophobicContact CD2-CZ3 3.7Å; L91-W105 HydrophobicContact CG-CE3 4.24Å; L91-W105 HydrophobicContact CG-CZ3 4.15Å; L91-W105 PolarHBondContact N-O 3.23Å; L91-D106 HydrophobicContact CD1-CB 3.82Å; L91-D106 HydrophobicContact CG-CB 4.11Å; L91-H110 PolarHBondContact N-NE2 3.31Å; L91-L111 HydrophobicContact CB-CD2 4.18Å; L91-L111 HydrophobicContact CD1-CD2 4.25Å |
| 92 | M | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 10.5 | -179.1 | -64.3 | -179.5 | 70 | 0 | 0 | 112.8 | I64 I67 I68 G90 V94 H110 L111 A114 Y145 | I64-M92 HydrophobicContact CG2-CE 4.4Å; I64-M92 HydrophobicContact CG2-SD 3.89Å; I67-M92 HydrophobicContact CB-CE 4.03Å; I67-M92 HydrophobicContact CD1-CE 4.12Å; I67-M92 HydrophobicContact CG2-CB 4.35Å; I67-M92 HydrophobicContact CG2-CE 3.65Å; I67-M92 HydrophobicContact CG2-CG 4.27Å; I68-M92 HydrophobicContact CD1-CG 4.32Å; I68-M92 HydrophobicContact CG1-CG 3.46Å; I68-M92 VanDerWaalsContact CG1-CG 3.46Å; I68-M92 HydrophobicContact CG1-SD 4.31Å; G90-M92 PolarHBondContact O-N 2.75Å; M92-V94 PolarHBondContact O-N 2.92Å; M92-H110 PolarHBondContact N-NE2 3.38Å; M92-L111 HydrophobicContact CG-CD2 3.97Å; M92-L111 HydrophobicContact SD-CD2 3.8Å; M92-A114 HydrophobicContact CB-CB 3.5Å; M92-A114 VanDerWaalsContact CB-CB 3.5Å; M92-A114 HydrophobicContact CE-CB 3.87Å; M92-A114 HydrophobicContact CG-CB 4.08Å; M92-A114 HydrophobicContact SD-CB 3.54Å; M92-A114 VanDerWaalsContact SD-CB 3.54Å; M92-Y145 PolarHBondContact O-OH 3.06Å |
| 93 | Q | 98.4 | Very high | 95.8 | Very high | 23 Ų | 23 | 61 Ų | 61 | 11% | 0.107 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 59.7 | 173.1 | -65.5 | -68.6 | -84.5 | 0 | 0 | 114.1 | E71 L78 G88 W89 G90 D95 | E71-Q93 HydrophobicContact CB-CB 4.03Å; E71-Q93 HydrophobicContact CB-CG 3.8Å; E71-Q93 HydrophobicContact CG-CB 4.28Å; E71-Q93 WeakPolarHBondContact OE2-CB 3.48Å; L78-Q93 VanDerWaalsContact CD2-NE2 3.26Å; G88-Q93 PolarHBondContact O-NE2 3.15Å; W89-Q93 CarbonylContact O-C 3.32Å; W89-Q93 VanDerWaalsContact O-CA 3.23Å; W89-Q93 WeakPolarHBondContact O-CA 3.29Å; W89-Q93 PolarHBondContact O-N 3.23Å; G90-Q93 PolarHBondContact O-N 2.98Å; G90-Q93 PolarHBondContact O-NE2 3.17Å; Q93-D95 PolarHBondContact O-N 2.88Å |
| 94 | V | 97.9 | Very high | 95.9 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 123.4 | 171.2 | 173.1 | 0 | 0 | 0 | 0 | 108.7 | W89 M92 I96 H99 A114 I117 | W89-V94 PolarHBondContact N-O 2.67Å; W89-V94 PolarHBondContact O-N 3.46Å; M92-V94 PolarHBondContact O-N 2.92Å; V94-I96 PolarHBondContact O-N 3.06Å; V94-H99 HydrophobicContact CG1-CB 3.72Å; V94-A114 HydrophobicContact CG2-CB 3.73Å; V94-I117 HydrophobicContact CG1-CD1 3.93Å; V94-I117 HydrophobicContact CG2-CD1 4.12Å |
| 95 | D | 95.9 | Very high | 96.3 | Very high | 35 Ų | 35 | 65.1 Ų | 65.1 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 109.3 | 180 | -171.8 | -22.3 | 0 | 0 | 0 | 110.8 | N87 Q93 R97 Y98 H99 | N87-D95 WeakPolarHBondContact O-CA 3.42Å; Q93-D95 PolarHBondContact O-N 2.88Å; D95-R97 PolarHBondContact O-N 2.68Å; D95-R97 VanDerWaalsContact O-N 3.16Å; D95-R97 VanDerWaalsContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.49Å; D95-R97 WeakPolarHBondContact OD1-CG 3.45Å; D95-R97 IonicContact OD1-CZ 3.68Å; D95-R97 PolarHBondContact OD1-N 3.49Å; D95-R97 IonicContact OD1-NE 3.34Å; D95-R97 PolarHBondContact OD1-NE 2.65Å; D95-R97 IonicContact OD1-NH2 3.9Å; D95-R97 IonicContact OD2-CZ 3.85Å; D95-R97 IonicContact OD2-NE 2.8Å; D95-R97 PolarHBondContact OD2-NE 3.2Å; D95-R97 IonicContact OD2-NH2 3.59Å; D95-R97 PolarHBondContact OD2-NH2 2.97Å; D95-Y98 HydrophobicContact CB-CD2 4Å; D95-Y98 PolarHBondContact O-N 3.22Å; D95-Y98 VanDerWaalsContact O-N 3.14Å; D95-Y98 WeakPolarHBondContact OD2-CD2 3.47Å; D95-Y98 VanDerWaalsContact OD2-CE2 3.27Å; D95-Y98 WeakPolarHBondContact OD2-CE2 3.36Å; D95-H99 PolarHBondContact O-N 3.24Å; D95-H99 VanDerWaalsContact O-N 3.12Å |
| 96 | I | 94.9 | Very high | 96.6 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9.8 | -173.5 | 63.4 | 146.8 | 0 | 0 | 0 | 114 | W82 N87 W89 V94 H99 K101 | W82-I96 HydrophobicContact CH2-CD1 3.87Å; W82-I96 HydrophobicContact CH2-CG2 4.25Å; W82-I96 HydrophobicContact CZ3-CD1 3.7Å; W82-I96 HydrophobicContact CZ3-CG1 4.05Å; W82-I96 HydrophobicContact CZ3-CG2 3.97Å; N87-I96 WeakPolarHBondContact O-CG1 3.37Å; N87-I96 PolarHBondContact O-N 2.76Å; W89-I96 HydrophobicContact CB-CG2 3.87Å; V94-I96 PolarHBondContact O-N 3.06Å; I96-H99 CarbonylContact C-O 3.52Å; I96-H99 WeakPolarHBondContact CA-O 3.3Å; I96-K101 HydrophobicContact CG2-CB 4.12Å |
| 97 | R | 94.6 | Very high | 96.8 | Very high | 141 Ų | 141 | 57 Ų | 57 | 53% | 0.532 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -22.6 | 174.4 | -57.9 | 174 | -65.9 | -172.4 | -3.8 | 111.8 | D95 | D95-R97 PolarHBondContact O-N 2.68Å; D95-R97 VanDerWaalsContact O-N 3.16Å; D95-R97 VanDerWaalsContact OD1-CB 3.26Å; D95-R97 WeakPolarHBondContact OD1-CB 3.49Å; D95-R97 WeakPolarHBondContact OD1-CG 3.45Å; D95-R97 IonicContact OD1-CZ 3.68Å; D95-R97 PolarHBondContact OD1-N 3.49Å; D95-R97 IonicContact OD1-NE 3.34Å; D95-R97 PolarHBondContact OD1-NE 2.65Å; D95-R97 IonicContact OD1-NH2 3.9Å; D95-R97 IonicContact OD2-CZ 3.85Å; D95-R97 IonicContact OD2-NE 2.8Å; D95-R97 PolarHBondContact OD2-NE 3.2Å; D95-R97 IonicContact OD2-NH2 3.59Å; D95-R97 PolarHBondContact OD2-NH2 2.97Å |
| 98 | Y | 93.5 | Very high | 97 | Very high | 169 Ų | 169 | 57.3 Ų | 57.3 | 66% | 0.663 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | -18.2 | -178.4 | -55 | -72 | 0 | 0 | 0 | 113.1 | D95 | D95-Y98 HydrophobicContact CB-CD2 4Å; D95-Y98 PolarHBondContact O-N 3.22Å; D95-Y98 VanDerWaalsContact O-N 3.14Å; D95-Y98 WeakPolarHBondContact OD2-CD2 3.47Å; D95-Y98 VanDerWaalsContact OD2-CE2 3.27Å; D95-Y98 WeakPolarHBondContact OD2-CE2 3.36Å |
| 99 | H | 94.1 | Very high | 97 | Very high | 69 Ų | 69 | 62.2 Ų | 62.2 | 32% | 0.319 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -136.7 | 141.5 | -176.2 | -57.6 | -71.4 | 0 | 0 | 0 | 111.6 | V94 D95 I96 I117 | V94-H99 HydrophobicContact CG1-CB 3.72Å; D95-H99 PolarHBondContact O-N 3.24Å; D95-H99 VanDerWaalsContact O-N 3.12Å; I96-H99 CarbonylContact C-O 3.52Å; I96-H99 WeakPolarHBondContact CA-O 3.3Å; H99-I117 HydrophobicContact CB-CD1 4.44Å |
| 100 | Q | 95.1 | Very high | 97 | Very high | 167 Ų | 167 | 61.5 Ų | 61.5 | 78% | 0.78 | 29% | 0.29 | S | S | * | . | trans | -72.8 | 131.1 | 167 | -177.8 | 175.5 | 8.5 | 0 | 0 | 108.9 | Q113 | Q100-Q113 PolarHBondContact O-NE2 3.1Š| ||
| 101 | K | 94.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 37% | 0.37 | 29% | 0.29 | S | S | . | . | trans | -69.2 | 138.5 | 178.1 | 73.6 | -170.3 | -165.4 | 76.7 | 0 | 112.4 | W82 W89 I96 | W82-K101 HydrophobicContact CH2-CD 3.88Å; W82-K101 HydrophobicContact CZ2-CD 4.08Å; W89-K101 HydrophobicContact CB-CB 4.21Å; W89-K101 HydrophobicContact CD2-CB 4.39Å; W89-K101 HydrophobicContact CD2-CD 3.74Å; W89-K101 HydrophobicContact CE3-CD 4.12Å; W89-K101 HydrophobicContact CG-CB 3.78Å; W89-K101 HydrophobicContact CG-CD 3.95Å; W89-K101 HydrophobicContact CG-CG 4.41Å; W89-K101 HydrophobicContact CZ2-CD 4.39Å; W89-K101 VanDerWaalsContact CZ2-NZ 3.33Å; I96-K101 HydrophobicContact CG2-CB 4.12Å | ||
| 102 | E | 97.1 | Very high | 97.1 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | trans | -116.7 | 140 | 176 | -71.6 | 169.3 | -133.1 | 0 | 0 | 111.5 | Q113 | E102-Q113 HydrophobicContact CB-CB 4.35Å; E102-Q113 VanDerWaalsContact CD-NE2 3.28Å; E102-Q113 VanDerWaalsContact CG-NE2 3.33Å; E102-Q113 VanDerWaalsContact N-OE1 3.1Å; E102-Q113 PolarHBondContact OE1-NE2 3.05Å | ||
| 103 | G | 96.8 | Very high | 97 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 65.6 | -175.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | W89 | W89-G103 PolarHBondContact NE1-O 3.4Š|
| 104 | D | 98.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 31% | 0.307 | S | S | * | . | trans | -74.6 | 157.1 | 169.8 | -70.1 | -32.6 | 0 | 0 | 0 | 110.9 | D106 S107 H110 | D104-D106 PolarHBondContact O-N 2.71Å; D104-S107 PolarHBondContact N-OG 2.99Å; D104-S107 VanDerWaalsContact N-OG 3.14Å; D104-S107 VanDerWaalsContact O-CB 3.26Å; D104-S107 WeakPolarHBondContact O-CB 3.38Å; D104-S107 PolarHBondContact O-N 3.09Å; D104-S107 PolarHBondContact O-OG 2.77Å; D104-H110 WeakPolarHBondContact O-CB 3.42Å | ||
| 105 | W | 98.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 66 Ų | 66 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.8 | -170.1 | 71.6 | -86.9 | 0 | 0 | 0 | 114.8 | L78 G81 W89 G90 L91 H110 | L78-W105 HydrophobicContact CD1-CE3 3.83Å; L78-W105 HydrophobicContact CD1-CZ3 4.05Å; G81-W105 VanDerWaalsContact CA-CG 3.46Å; W89-W105 HydrophobicContact CD2-CB 4.43Å; W89-W105 HydrophobicContact CH2-CB 3.91Å; W89-W105 HydrophobicContact CZ2-CB 3.8Å; W89-W105 HydrophobicContact CZ3-CB 4.26Å; G90-W105 CarbonylContact C-O 3.27Å; G90-W105 WeakPolarHBondContact CA-O 3.41Å; L91-W105 HydrophobicContact CD2-CE3 4.25Å; L91-W105 HydrophobicContact CD2-CZ3 3.7Å; L91-W105 HydrophobicContact CG-CE3 4.24Å; L91-W105 HydrophobicContact CG-CZ3 4.15Å; L91-W105 PolarHBondContact N-O 3.23Å; W105-H110 PolarHBondContact O-CD2 2.9Å |
| 106 | D | 98.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 66 Ų | 66 | 22% | 0.219 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 15.2 | 177.6 | 73.6 | -25.9 | 0 | 0 | 0 | 113.2 | Y46 K49 L91 D104 | Y46-D106 HydrophobicContact CD1-CB 4.3Å; Y46-D106 HydrophobicContact CE1-CB 3.75Å; K49-D106 WeakPolarHBondContact CD-O 3.48Å; K49-D106 PolarHBondContact NZ-O 3.39Å; K49-D106 IonicContact NZ-OD2 2.92Å; L91-D106 HydrophobicContact CD1-CB 3.82Å; L91-D106 HydrophobicContact CG-CB 4.11Å; D104-D106 PolarHBondContact O-N 2.71Å |
| 107 | S | 98.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -76.5 | 164.4 | -177.1 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | D104 E109 H110 L111 | D104-S107 PolarHBondContact N-OG 2.99Å; D104-S107 VanDerWaalsContact N-OG 3.14Å; D104-S107 VanDerWaalsContact O-CB 3.26Å; D104-S107 WeakPolarHBondContact O-CB 3.38Å; D104-S107 PolarHBondContact O-N 3.09Å; D104-S107 PolarHBondContact O-OG 2.77Å; S107-E109 VanDerWaalsContact C-N 3.29Å; S107-E109 WeakPolarHBondContact CB-OE2 3.2Å; S107-H110 PolarHBondContact O-N 2.96Å; S107-H110 WeakPolarHBondContact OG-CB 3.26Å; S107-H110 PolarHBondContact OG-N 3.08Å; S107-L111 WeakPolarHBondContact O-CG 3.34Å; S107-L111 PolarHBondContact O-N 3.3Å |
| 108 | E | 98.4 | Very high | 97.6 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 23% | 0.234 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68 | -34.7 | 173.8 | -167.7 | 170 | 141.6 | 0 | 0 | 111.1 | S52 V53 Q56 L111 R112 | S52-E108 PolarHBondContact OG-OE1 3.4Å; S52-E108 PolarHBondContact OG-OE2 3.31Å; V53-E108 HydrophobicContact CG2-CG 3.46Å; V53-E108 VanDerWaalsContact CG2-CG 3.46Å; Q56-E108 PolarHBondContact NE2-OE1 2.86Å; Q56-E108 PolarHBondContact OE1-OE1 3.5Å; E108-L111 PolarHBondContact O-N 3.35Å; E108-R112 VanDerWaalsContact O-CB 3.29Å; E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 3.3Å; E108-R112 IonicContact OE1-NH2 3.06Å; E108-R112 PolarHBondContact OE1-NH2 3.37Å |
| 109 | E | 98.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 50 Ų | 50 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 174.2 | -65.7 | 77.1 | -173.2 | 0 | 0 | 111.1 | S107 L111 R112 Q113 | S107-E109 VanDerWaalsContact C-N 3.29Å; S107-E109 WeakPolarHBondContact CB-OE2 3.2Å; E109-L111 PolarHBondContact O-N 3.31Å; E109-R112 PolarHBondContact O-N 3.14Å; E109-Q113 WeakPolarHBondContact O-CB 3.43Å; E109-Q113 PolarHBondContact O-N 3.25Å |
| 110 | H | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.2 | 169.9 | 70.1 | 0 | 0 | 0 | 111.9 | W89 L91 M92 D104 W105 S107 R112 Q113 A114 | W89-H110 AromaticContact CD1-ND1 3.57Å; W89-H110 PolarHBondContact O-CE1 3.3Å; L91-H110 PolarHBondContact N-NE2 3.31Å; M92-H110 PolarHBondContact N-NE2 3.38Å; D104-H110 WeakPolarHBondContact O-CB 3.42Å; W105-H110 PolarHBondContact O-CD2 2.9Å; S107-H110 PolarHBondContact O-N 2.96Å; S107-H110 WeakPolarHBondContact OG-CB 3.26Å; S107-H110 PolarHBondContact OG-N 3.08Å; H110-R112 VanDerWaalsContact C-N 3.33Å; H110-R112 PolarHBondContact O-N 3.25Å; H110-Q113 PolarHBondContact O-N 3.3Å; H110-A114 WeakPolarHBondContact O-CB 3.41Å; H110-A114 PolarHBondContact O-N 3.16Å |
| 111 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 178.7 | -67.2 | -175.2 | 0 | 0 | 0 | 112.1 | K49 I50 V53 I68 L91 M92 S107 E108 E109 T115 | K49-L111 HydrophobicContact CB-CD1 3.88Å; I50-L111 HydrophobicContact CG1-CD1 3.91Å; V53-L111 HydrophobicContact CB-CB 4.49Å; V53-L111 HydrophobicContact CG1-CB 4.45Å; V53-L111 HydrophobicContact CG2-CB 3.96Å; I68-L111 HydrophobicContact CD1-CD2 3.74Å; I68-L111 HydrophobicContact CG1-CD2 4.3Å; L91-L111 HydrophobicContact CB-CD2 4.18Å; L91-L111 HydrophobicContact CD1-CD2 4.25Å; M92-L111 HydrophobicContact CG-CD2 3.97Å; M92-L111 HydrophobicContact SD-CD2 3.8Å; S107-L111 WeakPolarHBondContact O-CG 3.34Å; S107-L111 PolarHBondContact O-N 3.3Å; E108-L111 PolarHBondContact O-N 3.35Å; E109-L111 PolarHBondContact O-N 3.31Å; L111-T115 VanDerWaalsContact O-CB 3.24Å; L111-T115 WeakPolarHBondContact O-CB 3.5Å; L111-T115 PolarHBondContact O-N 2.98Å; L111-T115 PolarHBondContact O-OG1 3.35Å |
| 112 | R | 98.7 | Very high | 98.4 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.5 | -175.9 | -170.2 | -52.5 | -68 | -10.4 | 111.2 | V53 E108 E109 H110 T115 G116 | V53-R112 HydrophobicContact CG1-CB 4.45Å; V53-R112 HydrophobicContact CG2-CB 4.38Å; E108-R112 VanDerWaalsContact O-CB 3.29Å; E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 3.3Å; E108-R112 IonicContact OE1-NH2 3.06Å; E108-R112 PolarHBondContact OE1-NH2 3.37Å; E109-R112 PolarHBondContact O-N 3.14Å; H110-R112 VanDerWaalsContact C-N 3.33Å; H110-R112 PolarHBondContact O-N 3.25Å; R112-T115 PolarHBondContact O-N 2.82Å; R112-G116 PolarHBondContact O-N 3.11Å |
| 113 | Q | 98.7 | Very high | 98.5 | Very high | 21 Ų | 21 | 41 Ų | 41 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -55.2 | 176.9 | 177.4 | 178.8 | 58.7 | 0 | 0 | 111.2 | Q100 E102 E109 H110 T115 G116 I117 | Q100-Q113 PolarHBondContact O-NE2 3.1Å; E102-Q113 HydrophobicContact CB-CB 4.35Å; E102-Q113 VanDerWaalsContact CD-NE2 3.28Å; E102-Q113 VanDerWaalsContact CG-NE2 3.33Å; E102-Q113 VanDerWaalsContact N-OE1 3.1Å; E102-Q113 PolarHBondContact OE1-NE2 3.05Å; E109-Q113 WeakPolarHBondContact O-CB 3.43Å; E109-Q113 PolarHBondContact O-N 3.25Å; H110-Q113 PolarHBondContact O-N 3.3Å; Q113-T115 VanDerWaalsContact C-N 3.32Å; Q113-T115 PolarHBondContact O-N 3.19Å; Q113-G116 WeakPolarHBondContact O-CA 3.4Å; Q113-G116 PolarHBondContact O-N 2.89Å; Q113-I117 HydrophobicContact CG-CD1 4.33Å; Q113-I117 PolarHBondContact O-N 2.98Å |
| 114 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M92 V94 H110 G116 I117 L118 Y145 | M92-A114 HydrophobicContact CB-CB 3.5Å; M92-A114 VanDerWaalsContact CB-CB 3.5Å; M92-A114 HydrophobicContact CE-CB 3.87Å; M92-A114 HydrophobicContact CG-CB 4.08Å; M92-A114 HydrophobicContact SD-CB 3.54Å; M92-A114 VanDerWaalsContact SD-CB 3.54Å; V94-A114 HydrophobicContact CG2-CB 3.73Å; H110-A114 WeakPolarHBondContact O-CB 3.41Å; H110-A114 PolarHBondContact O-N 3.16Å; A114-G116 VanDerWaalsContact C-N 3.31Å; A114-G116 PolarHBondContact O-N 3.09Å; A114-I117 WeakPolarHBondContact O-CB 3.35Å; A114-I117 PolarHBondContact O-N 2.8Å; A114-L118 PolarHBondContact O-N 3.37Å; A114-Y145 WeakPolarHBondContact O-CE2 3.34Å |
| 115 | T | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.7 | -35.1 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | V53 C57 I59 I64 L111 R112 Q113 L118 I119 | V53-T115 HydrophobicContact CG1-CG2 4.29Å; C57-T115 HydrophobicContact CB-CG2 3.69Å; I59-T115 HydrophobicContact CB-CG2 4.07Å; I59-T115 HydrophobicContact CG1-CG2 3.85Å; I59-T115 HydrophobicContact CG2-CG2 4.4Å; I64-T115 HydrophobicContact CD1-CG2 4.17Å; L111-T115 VanDerWaalsContact O-CB 3.24Å; L111-T115 WeakPolarHBondContact O-CB 3.5Å; L111-T115 PolarHBondContact O-N 2.98Å; L111-T115 PolarHBondContact O-OG1 3.35Å; R112-T115 PolarHBondContact O-N 2.82Å; Q113-T115 VanDerWaalsContact C-N 3.32Å; Q113-T115 PolarHBondContact O-N 3.19Å; T115-L118 WeakPolarHBondContact O-CB 3.17Å; T115-L118 PolarHBondContact O-N 2.91Å; T115-I119 HydrophobicContact CG2-CD1 4.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.04Å; T115-I119 PolarHBondContact O-N 3.2Å |
| 116 | G | 98.5 | Very high | 98.6 | Very high | 36 Ų | 36 | 37.5 Ų | 37.5 | 37% | 0.371 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R112 Q113 A114 I119 H120 | R112-G116 PolarHBondContact O-N 3.11Å; Q113-G116 WeakPolarHBondContact O-CA 3.4Å; Q113-G116 PolarHBondContact O-N 2.89Å; A114-G116 VanDerWaalsContact C-N 3.31Å; A114-G116 PolarHBondContact O-N 3.09Å; G116-I119 PolarHBondContact O-N 3.2Å; G116-H120 PolarHBondContact O-N 3.21Å |
| 117 | I | 98.7 | Very high | 98.6 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 11% | 0.108 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.4 | -66 | 165.4 | 0 | 0 | 0 | 110.7 | V94 H99 Q113 A114 I119 H120 F121 Y145 | V94-I117 HydrophobicContact CG1-CD1 3.93Å; V94-I117 HydrophobicContact CG2-CD1 4.12Å; H99-I117 HydrophobicContact CB-CD1 4.44Å; Q113-I117 HydrophobicContact CG-CD1 4.33Å; Q113-I117 PolarHBondContact O-N 2.98Å; A114-I117 WeakPolarHBondContact O-CB 3.35Å; A114-I117 PolarHBondContact O-N 2.8Å; I117-I119 PolarHBondContact O-N 3.4Å; I117-H120 WeakPolarHBondContact O-CB 3.31Å; I117-H120 PolarHBondContact O-N 2.9Å; I117-F121 HydrophobicContact CG2-CD2 3.85Å; I117-F121 HydrophobicContact CG2-CE2 3.56Å; I117-F121 VanDerWaalsContact O-CD2 3.3Å; I117-F121 WeakPolarHBondContact O-CD2 3.31Å; I117-F121 PolarHBondContact O-N 2.97Å; I117-Y145 HydrophobicContact CB-CE2 4.18Å; I117-Y145 HydrophobicContact CG2-CD2 4.05Å; I117-Y145 HydrophobicContact CG2-CE2 3.92Å |
| 118 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 173.2 | 174.7 | 66.7 | 0 | 0 | 0 | 111.7 | I59 L63 I67 A114 T115 H120 F121 I122 I142 Y145 | I59-L118 HydrophobicContact CG2-CD2 4.42Å; L63-L118 HydrophobicContact CD2-CD2 4.08Å; L63-L118 HydrophobicContact CG-CD2 4.39Å; I67-L118 HydrophobicContact CD1-CD1 4.23Å; I67-L118 HydrophobicContact CD1-CD2 3.63Å; I67-L118 HydrophobicContact CD1-CG 4.46Å; A114-L118 PolarHBondContact O-N 3.37Å; T115-L118 WeakPolarHBondContact O-CB 3.17Å; T115-L118 PolarHBondContact O-N 2.91Å; L118-H120 VanDerWaalsContact C-N 3.29Å; L118-H120 PolarHBondContact O-N 3.42Å; L118-F121 PolarHBondContact O-N 2.67Å; L118-I122 HydrophobicContact CD1-CD1 4.19Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CD2-CD1 4.48Å; L118-I122 HydrophobicContact CG-CD1 3.89Å; L118-I122 HydrophobicContact CG-CG1 4.47Å; L118-I122 WeakPolarHBondContact O-CG1 3.3Å; L118-I122 PolarHBondContact O-N 3.16Å; L118-I142 HydrophobicContact CD1-CG1 4.23Å; L118-Y145 HydrophobicContact CB-CD2 3.9Å; L118-Y145 HydrophobicContact CB-CE2 4.27Å; L118-Y145 HydrophobicContact CD1-CD2 4.34Å; L118-Y145 HydrophobicContact CD1-CG 4.49Å |
| 119 | I | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 177.5 | -75 | 167.7 | 0 | 0 | 0 | 111.3 | Y3 C57 I59 T115 G116 I117 F121 I122 K123 | Y3-I119 HydrophobicContact CD2-CG1 4.46Å; Y3-I119 HydrophobicContact CE1-CG2 4.03Å; Y3-I119 HydrophobicContact CE2-CD1 4Å; Y3-I119 HydrophobicContact CE2-CG1 3.88Å; Y3-I119 HydrophobicContact CE2-CG2 4.38Å; Y3-I119 WeakPolarHBondContact OH-CG2 3.24Å; C57-I119 HydrophobicContact CB-CD1 3.83Å; I59-I119 HydrophobicContact CD1-CG1 3.96Å; I59-I119 HydrophobicContact CG1-CD1 3.92Å; I59-I119 HydrophobicContact CG1-CG1 3.86Å; T115-I119 HydrophobicContact CG2-CD1 4.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.04Å; T115-I119 PolarHBondContact O-N 3.2Å; G116-I119 PolarHBondContact O-N 3.2Å; I117-I119 PolarHBondContact O-N 3.4Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 2.91Å; I119-I122 PolarHBondContact O-N 2.98Å; I119-K123 HydrophobicContact CG2-CD 4.13Å; I119-K123 WeakPolarHBondContact O-CG 3.4Å; I119-K123 PolarHBondContact O-N 2.64Å |
| 120 | H | 98.5 | Very high | 98.6 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.3 | -51.2 | 174.8 | 175.8 | 88.5 | 0 | 0 | 0 | 110.4 | G116 I117 L118 I122 K123 R124 | G116-H120 PolarHBondContact O-N 3.21Å; I117-H120 WeakPolarHBondContact O-CB 3.31Å; I117-H120 PolarHBondContact O-N 2.9Å; L118-H120 VanDerWaalsContact C-N 3.29Å; L118-H120 PolarHBondContact O-N 3.42Å; H120-I122 PolarHBondContact O-N 2.72Å; H120-K123 PolarHBondContact O-N 3.06Å; H120-R124 VanDerWaalsContact O-CG 3.3Å; H120-R124 WeakPolarHBondContact O-CG 3.44Å; H120-R124 PolarHBondContact O-N 2.93Å |
| 121 | F | 98.8 | Very high | 98.6 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 179.1 | -75.3 | -55.6 | 0 | 0 | 0 | 113.8 | I117 L118 I119 K123 R124 I125 A144 Y145 D149 | I117-F121 HydrophobicContact CG2-CD2 3.85Å; I117-F121 HydrophobicContact CG2-CE2 3.56Å; I117-F121 VanDerWaalsContact O-CD2 3.3Å; I117-F121 WeakPolarHBondContact O-CD2 3.31Å; I117-F121 PolarHBondContact O-N 2.97Å; L118-F121 PolarHBondContact O-N 2.67Å; I119-F121 VanDerWaalsContact C-N 3.33Å; I119-F121 PolarHBondContact O-N 2.91Å; F121-K123 VanDerWaalsContact C-N 3.32Å; F121-K123 PolarHBondContact O-N 3.25Å; F121-R124 WeakPolarHBondContact O-CB 3.47Å; F121-R124 PolarHBondContact O-N 2.93Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 2.89Å; F121-A144 HydrophobicContact CB-CB 3.89Å; F121-A144 HydrophobicContact CD1-CB 3.93Å; F121-A144 HydrophobicContact CG-CB 4.01Å; F121-Y145 HydrophobicContact CD2-CD2 4.4Å; F121-D149 HydrophobicContact CD1-CB 4.25Å |
| 122 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 172.6 | -67.4 | 164 | 0 | 0 | 0 | 109.6 | Y3 I59 L118 I119 H120 R124 I125 Q126 L138 | Y3-I122 HydrophobicContact CD1-CB 4.42Å; Y3-I122 HydrophobicContact CD1-CG2 3.7Å; Y3-I122 HydrophobicContact CG-CD1 4.42Å; Y3-I122 HydrophobicContact CG-CG2 4.33Å; I59-I122 HydrophobicContact CD1-CD1 3.96Å; L118-I122 HydrophobicContact CD1-CD1 4.19Å; L118-I122 HydrophobicContact CD1-CG1 4.36Å; L118-I122 HydrophobicContact CD2-CD1 4.48Å; L118-I122 HydrophobicContact CG-CD1 3.89Å; L118-I122 HydrophobicContact CG-CG1 4.47Å; L118-I122 WeakPolarHBondContact O-CG1 3.3Å; L118-I122 PolarHBondContact O-N 3.16Å; I119-I122 PolarHBondContact O-N 2.98Å; H120-I122 PolarHBondContact O-N 2.72Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.27Å; I122-I125 PolarHBondContact O-N 3.46Å; I122-Q126 HydrophobicContact CG2-CG 4.27Å; I122-Q126 VanDerWaalsContact O-CG 3.24Å; I122-Q126 WeakPolarHBondContact O-CG 3.49Å; I122-Q126 PolarHBondContact O-N 2.86Å; I122-L138 HydrophobicContact CD1-CD1 3.63Å; I122-L138 HydrophobicContact CG1-CD1 4.21Å |
| 123 | K | 98.5 | Very high | 98.5 | Very high | 103 Ų | 103 | 51.1 Ų | 51.1 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 178.6 | -70.5 | 174.9 | 179.3 | 177.2 | 0 | 112.6 | Y3 I119 H120 F121 I125 Q126 N127 | Y3-K123 HydrophobicContact CE1-CG 4.33Å; Y3-K123 WeakPolarHBondContact OH-CE 3.41Å; I119-K123 HydrophobicContact CG2-CD 4.13Å; I119-K123 WeakPolarHBondContact O-CG 3.4Å; I119-K123 PolarHBondContact O-N 2.64Å; H120-K123 PolarHBondContact O-N 3.06Å; F121-K123 VanDerWaalsContact C-N 3.32Å; F121-K123 PolarHBondContact O-N 3.25Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 3.37Å; K123-Q126 PolarHBondContact O-N 3.49Å; K123-N127 PolarHBondContact O-N 3.38Å |
| 124 | R | 98.7 | Very high | 98.5 | Very high | 120 Ų | 120 | 56 Ų | 56 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 174.4 | -68.9 | -70.2 | -61.8 | 179.1 | -1.6 | 111.5 | H120 F121 I122 N127 K128 D149 | H120-R124 VanDerWaalsContact O-CG 3.3Å; H120-R124 WeakPolarHBondContact O-CG 3.44Å; H120-R124 PolarHBondContact O-N 2.93Å; F121-R124 WeakPolarHBondContact O-CB 3.47Å; F121-R124 PolarHBondContact O-N 2.93Å; I122-R124 VanDerWaalsContact C-N 3.34Å; I122-R124 PolarHBondContact O-N 3.27Å; R124-N127 PolarHBondContact O-N 3.45Å; R124-K128 WeakPolarHBondContact O-CB 3.41Å; R124-K128 PolarHBondContact O-N 2.82Å; R124-D149 HydrophobicContact CB-CB 4.01Å; R124-D149 IonicContact CZ-OD2 2.72Å; R124-D149 IonicContact NE-OD2 3.31Å; R124-D149 PolarHBondContact NE-OD2 2.91Å; R124-D149 IonicContact NH2-OD2 3.84Å; R124-D149 PolarHBondContact NH2-OD2 2.97Å |
| 125 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.1 | -67.5 | -63.4 | 0 | 0 | 0 | 111.9 | F121 I122 K123 N127 K128 F129 W132 Q137 A144 D149 V152 | F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 2.89Å; I122-I125 PolarHBondContact O-N 3.46Å; K123-I125 VanDerWaalsContact C-N 3.34Å; K123-I125 PolarHBondContact O-N 3.37Å; I125-N127 VanDerWaalsContact C-N 3.29Å; I125-N127 PolarHBondContact O-N 3.12Å; I125-K128 PolarHBondContact O-N 2.89Å; I125-F129 HydrophobicContact CD1-CD2 4.44Å; I125-F129 HydrophobicContact CD1-CE2 4.31Å; I125-F129 HydrophobicContact CG2-CD2 4.24Å; I125-F129 PolarHBondContact O-N 3.35Å; I125-W132 HydrophobicContact CG2-CE3 4.29Å; I125-W132 HydrophobicContact CG2-CZ3 4.17Å; I125-Q137 HydrophobicContact CG2-CB 4.34Å; I125-Q137 WeakPolarHBondContact CG2-O 3.2Å; I125-A144 HydrophobicContact CD1-CB 4.25Å; I125-A144 HydrophobicContact CG1-CB 4.09Å; I125-D149 HydrophobicContact CD1-CB 4.12Å; I125-V152 HydrophobicContact CD1-CB 3.78Å; I125-V152 HydrophobicContact CD1-CG1 3.88Å; I125-V152 HydrophobicContact CD1-CG2 4.1Å |
| 126 | Q | 98.5 | Very high | 98.4 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.6 | -43 | 173.7 | -68.9 | -179.9 | -2.8 | 0 | 0 | 111.7 | I122 K123 F129 P130 Q137 | I122-Q126 HydrophobicContact CG2-CG 4.27Å; I122-Q126 VanDerWaalsContact O-CG 3.24Å; I122-Q126 WeakPolarHBondContact O-CG 3.49Å; I122-Q126 PolarHBondContact O-N 2.86Å; K123-Q126 PolarHBondContact O-N 3.49Å; Q126-F129 CarbonylContact O-C 3.35Å; Q126-P130 WeakPolarHBondContact O-CA 3.47Å; Q126-Q137 HydrophobicContact CG-CB 3.86Å; Q126-Q137 HydrophobicContact CG-CG 4.12Å |
| 127 | N | 98.4 | Very high | 98.4 | Very high | 130 Ų | 130 | 58.5 Ų | 58.5 | 70% | 0.695 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.1 | -38.8 | 177.1 | -68.3 | -15.7 | 0 | 0 | 0 | 112.5 | K123 R124 I125 | K123-N127 PolarHBondContact O-N 3.38Å; R124-N127 PolarHBondContact O-N 3.45Å; I125-N127 VanDerWaalsContact C-N 3.29Å; I125-N127 PolarHBondContact O-N 3.12Å |
| 128 | K | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 35% | 0.352 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.2 | -35.7 | -179 | -170.3 | 176.9 | -176 | -173.7 | 0 | 112.4 | R124 I125 D149 V152 | R124-K128 WeakPolarHBondContact O-CB 3.41Å; R124-K128 PolarHBondContact O-N 2.82Å; I125-K128 PolarHBondContact O-N 2.89Å; K128-D149 PolarHBondContact NZ-O 2.76Å; K128-V152 WeakPolarHBondContact CE-O 3.42Å; K128-V152 PolarHBondContact NZ-O 2.63Å |
| 129 | F | 98.3 | Very high | 98.5 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | trans | -129.5 | 71.1 | -177.2 | -57.5 | -72.1 | 0 | 0 | 0 | 111.1 | I125 Q126 N131 W132 Q137 V152 H153 | I125-F129 HydrophobicContact CD1-CD2 4.44Å; I125-F129 HydrophobicContact CD1-CE2 4.31Å; I125-F129 HydrophobicContact CG2-CD2 4.24Å; I125-F129 PolarHBondContact O-N 3.35Å; Q126-F129 CarbonylContact O-C 3.35Å; F129-N131 PolarHBondContact O-N 3.43Å; F129-W132 HydrophobicContact CB-CB 4.25Å; F129-W132 HydrophobicContact CB-CD2 3.58Å; F129-W132 HydrophobicContact CB-CE3 4.07Å; F129-W132 HydrophobicContact CB-CG 3.68Å; F129-W132 HydrophobicContact CB-CZ2 4.28Å; F129-W132 AromaticContact CD1-CE2 3.91Å; F129-W132 AromaticContact CD1-CZ2 3.87Å; F129-W132 HydrophobicContact CD1-CZ2 3.87Å; F129-W132 HydrophobicContact CD2-CD2 4.37Å; F129-W132 HydrophobicContact CD2-CE3 4.27Å; F129-W132 AromaticContact CD2-CH2 3.81Å; F129-W132 HydrophobicContact CD2-CH2 3.81Å; F129-W132 AromaticContact CD2-CZ2 3.87Å; F129-W132 HydrophobicContact CD2-CZ2 3.87Å; F129-W132 HydrophobicContact CD2-CZ3 4.02Å; F129-W132 HydrophobicContact CE1-CZ2 4.1Å; F129-W132 AromaticContact CE2-CH2 3.94Å; F129-W132 HydrophobicContact CE2-CH2 3.94Å; F129-W132 HydrophobicContact CE2-CZ2 4.09Å; F129-W132 HydrophobicContact CE2-CZ3 4.49Å; F129-W132 AromaticContact CG-CD2 3.97Å; F129-W132 HydrophobicContact CG-CD2 3.97Å; F129-W132 AromaticContact CG-CE2 3.68Å; F129-W132 HydrophobicContact CG-CE3 4.32Å; F129-W132 HydrophobicContact CG-CG 4.5Å; F129-W132 HydrophobicContact CG-CH2 4.15Å; F129-W132 AromaticContact CG-CZ2 3.74Å; F129-W132 HydrophobicContact CG-CZ2 3.74Å; F129-W132 HydrophobicContact CG-CZ3 4.43Å; F129-W132 HydrophobicContact CZ-CH2 4.41Å; F129-W132 HydrophobicContact CZ-CZ2 4.21Å; F129-W132 WeakPolarHBondContact O-CB 3.36Å; F129-W132 PolarHBondContact O-N 3.28Å; F129-Q137 PolarHBondContact O-NE2 3.3Å; F129-V152 HydrophobicContact CE2-CG1 4.03Å; F129-V152 WeakPolarHBondContact CE2-O 3.27Å; F129-V152 VanDerWaalsContact CZ-O 3.32Å; F129-V152 WeakPolarHBondContact CZ-O 3.39Å; F129-H153 WeakPolarHBondContact CE1-O 3.46Å; F129-H153 WeakPolarHBondContact CZ-O 3.48Å | ||
| 130 | P | 98 | Very high | 98.5 | Very high | 92 Ų | 92 | 57.3 Ų | 57.3 | 60% | 0.597 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.9 | -175.7 | 26.6 | -35.1 | 0 | 0 | 0 | 113.3 | Q126 W132 | Q126-P130 WeakPolarHBondContact O-CA 3.47Å; P130-W132 VanDerWaalsContact C-N 3.34Å |
| 131 | N | 98.1 | Very high | 98.5 | Very high | 160 Ų | 160 | 52.4 Ų | 52.4 | 86% | 0.856 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -8 | 179.5 | -64.2 | -22.3 | 0 | 0 | 0 | 113.8 | F129 | F129-N131 PolarHBondContact O-N 3.43Š|
| 132 | W | 98.3 | Very high | 98.5 | Very high | 40 Ų | 40 | 51 Ų | 51 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -73.8 | 146.1 | 173.5 | -74.9 | 11.5 | 0 | 0 | 0 | 110.4 | I125 F129 P130 Q136 Q137 V152 S154 Y155 | I125-W132 HydrophobicContact CG2-CE3 4.29Å; I125-W132 HydrophobicContact CG2-CZ3 4.17Å; F129-W132 HydrophobicContact CB-CB 4.25Å; F129-W132 HydrophobicContact CB-CD2 3.58Å; F129-W132 HydrophobicContact CB-CE3 4.07Å; F129-W132 HydrophobicContact CB-CG 3.68Å; F129-W132 HydrophobicContact CB-CZ2 4.28Å; F129-W132 AromaticContact CD1-CE2 3.91Å; F129-W132 AromaticContact CD1-CZ2 3.87Å; F129-W132 HydrophobicContact CD1-CZ2 3.87Å; F129-W132 HydrophobicContact CD2-CD2 4.37Å; F129-W132 HydrophobicContact CD2-CE3 4.27Å; F129-W132 AromaticContact CD2-CH2 3.81Å; F129-W132 HydrophobicContact CD2-CH2 3.81Å; F129-W132 AromaticContact CD2-CZ2 3.87Å; F129-W132 HydrophobicContact CD2-CZ2 3.87Å; F129-W132 HydrophobicContact CD2-CZ3 4.02Å; F129-W132 HydrophobicContact CE1-CZ2 4.1Å; F129-W132 AromaticContact CE2-CH2 3.94Å; F129-W132 HydrophobicContact CE2-CH2 3.94Å; F129-W132 HydrophobicContact CE2-CZ2 4.09Å; F129-W132 HydrophobicContact CE2-CZ3 4.49Å; F129-W132 AromaticContact CG-CD2 3.97Å; F129-W132 HydrophobicContact CG-CD2 3.97Å; F129-W132 AromaticContact CG-CE2 3.68Å; F129-W132 HydrophobicContact CG-CE3 4.32Å; F129-W132 HydrophobicContact CG-CG 4.5Å; F129-W132 HydrophobicContact CG-CH2 4.15Å; F129-W132 AromaticContact CG-CZ2 3.74Å; F129-W132 HydrophobicContact CG-CZ2 3.74Å; F129-W132 HydrophobicContact CG-CZ3 4.43Å; F129-W132 HydrophobicContact CZ-CH2 4.41Å; F129-W132 HydrophobicContact CZ-CZ2 4.21Å; F129-W132 WeakPolarHBondContact O-CB 3.36Å; F129-W132 PolarHBondContact O-N 3.28Å; P130-W132 VanDerWaalsContact C-N 3.34Å; W132-Q136 HydrophobicContact CB-CB 3.83Å; W132-Q136 HydrophobicContact CD2-CB 4.15Å; W132-Q136 HydrophobicContact CE3-CB 3.97Å; W132-Q136 HydrophobicContact CG-CB 4.12Å; W132-Q137 HydrophobicContact CB-CG 3.72Å; W132-Q137 PolarHBondContact O-NE2 2.87Å; W132-V152 HydrophobicContact CH2-CG1 4.05Å; W132-V152 HydrophobicContact CZ3-CG1 4.47Å; W132-S154 VanDerWaalsContact CZ2-C 3.41Å; W132-Y155 HydrophobicContact CE3-CD2 4.45Å; W132-Y155 HydrophobicContact CZ3-CD2 4.33Å |
| 133 | S | 98.1 | Very high | 98.5 | Very high | 51 Ų | 51 | 51 Ų | 51 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | trans | -60.1 | 160.8 | 167.1 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | E135 Q136 Q137 | S133-E135 PolarHBondContact O-N 3.19Å; S133-Q136 PolarHBondContact O-N 3.14Å; S133-Q136 VanDerWaalsContact O-N 3.13Å; S133-Q136 WeakPolarHBondContact OG-CB 3.32Å; S133-Q136 WeakPolarHBondContact OG-CG 3.32Å; S133-Q136 PolarHBondContact OG-N 2.91Å; S133-Q136 PolarHBondContact OG-OE1 3.01Å; S133-Q137 WeakPolarHBondContact O-CG 3.2Å; S133-Q137 PolarHBondContact O-N 3.47Å | ||
| 134 | R | 97.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 46 Ų | 46 | 46% | 0.464 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.9 | -37.7 | 177.5 | -69 | -53.8 | -165 | 179.3 | 4.9 | 112 | Q137 L138 | R134-Q137 VanDerWaalsContact CD-OE1 3.25Å; R134-Q137 VanDerWaalsContact NH1-OE1 3.1Å; R134-Q137 PolarHBondContact O-N 3.28Å; R134-L138 WeakPolarHBondContact O-CB 3.27Å; R134-L138 PolarHBondContact O-N 3.12Å |
| 135 | E | 98.4 | Very high | 98.5 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 15% | 0.15 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -40.6 | 177.4 | -71.4 | 64 | -139.5 | 0 | 0 | 112.2 | D5 R8 V9 S133 L138 K139 | D5-E135 PolarHBondContact N-OE1 3.14Å; R8-E135 HydrophobicContact CB-CG 3.74Å; V9-E135 HydrophobicContact CG2-CB 3.91Å; V9-E135 HydrophobicContact CG2-CG 4.19Å; S133-E135 PolarHBondContact O-N 3.19Å; E135-L138 PolarHBondContact O-N 3.28Å; E135-K139 PolarHBondContact O-N 3.04Å |
| 136 | Q | 98.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 174.5 | -70.9 | 172.6 | -53 | 0 | 0 | 111.3 | W132 S133 K139 G140 Y155 | W132-Q136 HydrophobicContact CB-CB 3.83Å; W132-Q136 HydrophobicContact CD2-CB 4.15Å; W132-Q136 HydrophobicContact CE3-CB 3.97Å; W132-Q136 HydrophobicContact CG-CB 4.12Å; S133-Q136 PolarHBondContact O-N 3.14Å; S133-Q136 VanDerWaalsContact O-N 3.13Å; S133-Q136 WeakPolarHBondContact OG-CB 3.32Å; S133-Q136 WeakPolarHBondContact OG-CG 3.32Å; S133-Q136 PolarHBondContact OG-N 2.91Å; S133-Q136 PolarHBondContact OG-OE1 3.01Å; Q136-K139 PolarHBondContact O-N 2.76Å; Q136-G140 PolarHBondContact O-N 3.16Å; Q136-Y155 HydrophobicContact CB-CD2 3.73Å; Q136-Y155 HydrophobicContact CB-CE2 3.77Å; Q136-Y155 HydrophobicContact CB-CG 4.41Å; Q136-Y155 HydrophobicContact CG-CD1 4.21Å; Q136-Y155 HydrophobicContact CG-CD2 3.64Å; Q136-Y155 HydrophobicContact CG-CE1 4.02Å; Q136-Y155 HydrophobicContact CG-CE2 3.45Å; Q136-Y155 VanDerWaalsContact CG-CE2 3.45Å; Q136-Y155 HydrophobicContact CG-CG 4.03Å |
| 137 | Q | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 176 | -68.7 | 168 | -15.3 | 0 | 0 | 111.7 | I125 Q126 F129 W132 S133 R134 G140 G141 | I125-Q137 HydrophobicContact CG2-CB 4.34Å; I125-Q137 WeakPolarHBondContact CG2-O 3.2Å; Q126-Q137 HydrophobicContact CG-CB 3.86Å; Q126-Q137 HydrophobicContact CG-CG 4.12Å; F129-Q137 PolarHBondContact O-NE2 3.3Å; W132-Q137 HydrophobicContact CB-CG 3.72Å; W132-Q137 PolarHBondContact O-NE2 2.87Å; S133-Q137 WeakPolarHBondContact O-CG 3.2Å; S133-Q137 PolarHBondContact O-N 3.47Å; R134-Q137 VanDerWaalsContact CD-OE1 3.25Å; R134-Q137 VanDerWaalsContact NH1-OE1 3.1Å; R134-Q137 PolarHBondContact O-N 3.28Å; Q137-G140 PolarHBondContact O-N 2.88Å; Q137-G141 PolarHBondContact O-N 2.83Å |
| 138 | L | 98.7 | Very high | 98.4 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 173.7 | 179.8 | 57.7 | 0 | 0 | 0 | 110.7 | I6 V9 L63 I122 R134 E135 G140 G141 I142 | I6-L138 HydrophobicContact CD1-CD2 4.21Å; V9-L138 HydrophobicContact CG2-CD2 4.06Å; L63-L138 HydrophobicContact CD2-CD1 3.94Å; I122-L138 HydrophobicContact CD1-CD1 3.63Å; I122-L138 HydrophobicContact CG1-CD1 4.21Å; R134-L138 WeakPolarHBondContact O-CB 3.27Å; R134-L138 PolarHBondContact O-N 3.12Å; E135-L138 PolarHBondContact O-N 3.28Å; L138-G140 PolarHBondContact O-N 2.87Å; L138-G141 PolarHBondContact O-N 3.44Å; L138-G141 VanDerWaalsContact O-N 3.14Å; L138-I142 HydrophobicContact CD1-CD1 4.39Å; L138-I142 HydrophobicContact CG-CD1 4.19Å; L138-I142 WeakPolarHBondContact O-CG1 3.18Å; L138-I142 PolarHBondContact O-N 3.06Å |
| 139 | K | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -44.7 | 177.2 | -165.8 | 177.9 | -175.7 | 180 | 0 | 112.3 | V9 S10 E135 Q136 G141 I142 A143 Y155 V158 S168 N169 V172 | V9-K139 HydrophobicContact CG1-CB 3.75Å; V9-K139 HydrophobicContact CG1-CD 3.93Å; V9-K139 HydrophobicContact CG1-CG 4.04Å; S10-K139 WeakPolarHBondContact O-CD 3.37Å; S10-K139 WeakPolarHBondContact O-CE 3.43Å; S10-K139 PolarHBondContact O-NZ 2.94Å; E135-K139 PolarHBondContact O-N 3.04Å; Q136-K139 PolarHBondContact O-N 2.76Å; K139-G141 VanDerWaalsContact C-N 3.32Å; K139-G141 PolarHBondContact O-N 2.74Å; K139-I142 PolarHBondContact O-N 3.34Å; K139-A143 PolarHBondContact O-N 2.78Å; K139-Y155 HydrophobicContact CB-CE2 4.38Å; K139-Y155 HydrophobicContact CD-CE2 3.84Å; K139-V158 HydrophobicContact CD-CG1 4.23Å; K139-V158 HydrophobicContact CG-CG1 4.46Å; K139-S168 WeakPolarHBondContact CE-OG 3.24Å; K139-S168 WeakPolarHBondContact CG-OG 3.23Å; K139-S168 WeakPolarHBondContact O-CB 3.47Å; K139-N169 WeakPolarHBondContact CE-OD1 3.31Å; K139-N169 PolarHBondContact NZ-OD1 2.53Å; K139-V172 HydrophobicContact CG-CG2 4.46Å |
| 140 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.2 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q136 Q137 L138 I142 A143 A144 | Q136-G140 PolarHBondContact O-N 3.16Å; Q137-G140 PolarHBondContact O-N 2.88Å; L138-G140 PolarHBondContact O-N 2.87Å; G140-I142 VanDerWaalsContact C-N 3.35Å; G140-A143 PolarHBondContact O-N 3.18Å; G140-A144 VanDerWaalsContact O-CB 3.29Å; G140-A144 WeakPolarHBondContact O-CB 3.38Å; G140-A144 PolarHBondContact O-N 3.14Å |
| 141 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q137 L138 K139 A144 Y145 | Q137-G141 PolarHBondContact O-N 2.83Å; L138-G141 PolarHBondContact O-N 3.44Å; L138-G141 VanDerWaalsContact O-N 3.14Å; K139-G141 VanDerWaalsContact C-N 3.32Å; K139-G141 PolarHBondContact O-N 2.74Å; G141-A144 PolarHBondContact O-N 3.22Å; G141-Y145 PolarHBondContact O-N 2.9Å |
| 142 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 173.9 | -62.2 | 162.2 | 0 | 0 | 0 | 110.6 | I6 L63 L118 L138 K139 G140 A144 Y145 Y167 V171 V172 | I6-I142 HydrophobicContact CD1-CD1 4.24Å; L63-I142 HydrophobicContact CD1-CD1 3.57Å; L63-I142 HydrophobicContact CD1-CG1 4.04Å; L63-I142 HydrophobicContact CD2-CD1 4.06Å; L63-I142 HydrophobicContact CD2-CG1 4.29Å; L63-I142 HydrophobicContact CG-CD1 4.49Å; L118-I142 HydrophobicContact CD1-CG1 4.23Å; L138-I142 HydrophobicContact CD1-CD1 4.39Å; L138-I142 HydrophobicContact CG-CD1 4.19Å; L138-I142 WeakPolarHBondContact O-CG1 3.18Å; L138-I142 PolarHBondContact O-N 3.06Å; K139-I142 PolarHBondContact O-N 3.34Å; G140-I142 VanDerWaalsContact C-N 3.35Å; I142-A144 VanDerWaalsContact C-N 3.35Å; I142-A144 PolarHBondContact O-N 3.47Å; I142-Y145 WeakPolarHBondContact O-CB 3.14Å; I142-Y145 PolarHBondContact O-N 3.37Å; I142-Y167 HydrophobicContact CG2-CD1 4.13Å; I142-Y167 HydrophobicContact CG2-CE1 3.97Å; I142-Y167 WeakPolarHBondContact O-CD1 3.32Å; I142-Y167 VanDerWaalsContact O-CE1 3.3Å; I142-Y167 WeakPolarHBondContact O-CE1 3.41Å; I142-V171 HydrophobicContact CG2-CB 3.88Å; I142-V171 HydrophobicContact CG2-CG1 3.67Å; I142-V171 HydrophobicContact CG2-CG2 4.39Å; I142-V172 HydrophobicContact CD1-CG2 3.91Å |
| 143 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K139 G140 Y145 N146 T147 V152 V158 T162 | K139-A143 PolarHBondContact O-N 2.78Å; G140-A143 PolarHBondContact O-N 3.18Å; A143-Y145 VanDerWaalsContact C-N 3.27Å; A143-Y145 PolarHBondContact O-N 3.23Å; A143-N146 PolarHBondContact O-N 2.99Å; A143-N146 VanDerWaalsContact O-N 3.09Å; A143-T147 PolarHBondContact O-N 2.87Å; A143-V152 HydrophobicContact CB-CG2 4.19Å; A143-V158 HydrophobicContact CB-CG2 3.78Å; A143-T162 HydrophobicContact CB-CG2 4.01Å |
| 144 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -28.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | F121 I125 G140 G141 I142 N146 T147 G148 D149 V152 | F121-A144 HydrophobicContact CB-CB 3.89Å; F121-A144 HydrophobicContact CD1-CB 3.93Å; F121-A144 HydrophobicContact CG-CB 4.01Å; I125-A144 HydrophobicContact CD1-CB 4.25Å; I125-A144 HydrophobicContact CG1-CB 4.09Å; G140-A144 VanDerWaalsContact O-CB 3.29Å; G140-A144 WeakPolarHBondContact O-CB 3.38Å; G140-A144 PolarHBondContact O-N 3.14Å; G141-A144 PolarHBondContact O-N 3.22Å; I142-A144 VanDerWaalsContact C-N 3.35Å; I142-A144 PolarHBondContact O-N 3.47Å; A144-N146 PolarHBondContact O-N 2.91Å; A144-T147 PolarHBondContact O-N 3.27Å; A144-G148 WeakPolarHBondContact O-CA 3.42Å; A144-G148 PolarHBondContact O-N 3.35Å; A144-D149 HydrophobicContact CB-CB 4.24Å; A144-V152 HydrophobicContact CB-CG2 4.08Å |
| 145 | Y | 98.7 | Very high | 98.4 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 9% | 0.094 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.7 | -37.6 | 171.4 | -174.3 | -91.4 | 0 | 0 | 0 | 112.2 | I67 M92 A114 I117 L118 F121 G141 I142 A143 Y167 | I67-Y145 HydrophobicContact CG2-CE1 4.04Å; M92-Y145 PolarHBondContact O-OH 3.06Å; A114-Y145 WeakPolarHBondContact O-CE2 3.34Å; I117-Y145 HydrophobicContact CB-CE2 4.18Å; I117-Y145 HydrophobicContact CG2-CD2 4.05Å; I117-Y145 HydrophobicContact CG2-CE2 3.92Å; L118-Y145 HydrophobicContact CB-CD2 3.9Å; L118-Y145 HydrophobicContact CB-CE2 4.27Å; L118-Y145 HydrophobicContact CD1-CD2 4.34Å; L118-Y145 HydrophobicContact CD1-CG 4.49Å; F121-Y145 HydrophobicContact CD2-CD2 4.4Å; G141-Y145 PolarHBondContact O-N 2.9Å; I142-Y145 WeakPolarHBondContact O-CB 3.14Å; I142-Y145 PolarHBondContact O-N 3.37Å; A143-Y145 VanDerWaalsContact C-N 3.27Å; A143-Y145 PolarHBondContact O-N 3.23Å; Y145-Y167 WeakPolarHBondContact CD1-OH 3.21Å |
| 146 | N | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -82.3 | -38.3 | 178.7 | 174.1 | -106.8 | 0 | 0 | 0 | 113.9 | A143 A144 T162 T163 Y167 | A143-N146 PolarHBondContact O-N 2.99Å; A143-N146 VanDerWaalsContact O-N 3.09Å; A144-N146 PolarHBondContact O-N 2.91Å; N146-T162 WeakPolarHBondContact OD1-CA 3.42Å; N146-T162 VanDerWaalsContact OD1-CB 3.31Å; N146-T162 WeakPolarHBondContact OD1-CB 3.42Å; N146-T163 PolarHBondContact ND2-OG1 3.33Å; N146-T163 PolarHBondContact OD1-N 3.36Å; N146-Y167 HydrophobicContact CB-CD1 3.63Å; N146-Y167 HydrophobicContact CB-CD2 3.56Å; N146-Y167 HydrophobicContact CB-CE1 3.81Å; N146-Y167 HydrophobicContact CB-CE2 3.71Å; N146-Y167 HydrophobicContact CB-CG 3.52Å |
| 147 | T | 97.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -120.6 | -8.6 | -165.4 | -155.8 | 0 | 0 | 0 | 0 | 114.7 | A143 A144 K151 H161 T162 | A143-T147 PolarHBondContact O-N 2.87Å; A144-T147 PolarHBondContact O-N 3.27Å; T147-K151 HydrophobicContact CG2-CB 3.91Å; T147-K151 HydrophobicContact CG2-CD 4.42Å; T147-K151 WeakPolarHBondContact O-CD 3.03Å; T147-K151 WeakPolarHBondContact OG1-CD 3.23Å; T147-H161 PolarHBondContact OG1-O 3.21Å; T147-T162 HydrophobicContact CG2-CG2 3.97Å |
| 148 | G | 98.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | trans | 84.3 | 150.3 | -169 | 0 | 0 | 0 | 0 | 0 | 112.9 | A144 G150 K151 | A144-G148 WeakPolarHBondContact O-CA 3.42Å; A144-G148 PolarHBondContact O-N 3.35Å; G148-G150 PolarHBondContact O-N 3.03Å; G148-K151 PolarHBondContact O-N 3.22Å | ||
| 149 | D | 97.9 | Very high | 98.2 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.6 | -24.8 | -179.3 | 60.4 | -54.3 | 0 | 0 | 0 | 113.4 | F121 R124 I125 K128 A144 K151 V152 | F121-D149 HydrophobicContact CD1-CB 4.25Å; R124-D149 HydrophobicContact CB-CB 4.01Å; R124-D149 IonicContact CZ-OD2 2.72Å; R124-D149 IonicContact NE-OD2 3.31Å; R124-D149 PolarHBondContact NE-OD2 2.91Å; R124-D149 IonicContact NH2-OD2 3.84Å; R124-D149 PolarHBondContact NH2-OD2 2.97Å; I125-D149 HydrophobicContact CD1-CB 4.12Å; K128-D149 PolarHBondContact NZ-O 2.76Å; A144-D149 HydrophobicContact CB-CB 4.24Å; D149-K151 PolarHBondContact O-N 3.31Å; D149-V152 PolarHBondContact O-N 2.95Å |
| 150 | G | 97.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -58.3 | -32.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G148 H153 | G148-G150 PolarHBondContact O-N 3.03Å; G150-H153 PolarHBondContact O-CE1 2.9Å |
| 151 | K | 97.9 | Very high | 98.1 | Very high | 106 Ų | 106 | 43.5 Ų | 43.5 | 46% | 0.461 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -97.1 | 0.7 | -175.5 | -61.8 | 173.8 | -172.8 | 160.7 | 0 | 114.3 | T147 G148 D149 H153 H161 | T147-K151 HydrophobicContact CG2-CB 3.91Å; T147-K151 HydrophobicContact CG2-CD 4.42Å; T147-K151 WeakPolarHBondContact O-CD 3.03Å; T147-K151 WeakPolarHBondContact OG1-CD 3.23Å; G148-K151 PolarHBondContact O-N 3.22Å; D149-K151 PolarHBondContact O-N 3.31Å; K151-H153 PolarHBondContact O-CD2 3.19Å; K151-H153 VanDerWaalsContact O-CD2 3.3Å; K151-H161 HydrophobicContact CB-CB 3.86Å; K151-H161 HydrophobicContact CD-CB 4.11Å; K151-H161 HydrophobicContact CG-CB 4.48Å; K151-H161 PolarHBondContact O-CD2 2.98Å |
| 152 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -88.8 | 106.9 | 171 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | I125 K128 F129 W132 A143 A144 D149 V158 | I125-V152 HydrophobicContact CD1-CB 3.78Å; I125-V152 HydrophobicContact CD1-CG1 3.88Å; I125-V152 HydrophobicContact CD1-CG2 4.1Å; K128-V152 WeakPolarHBondContact CE-O 3.42Å; K128-V152 PolarHBondContact NZ-O 2.63Å; F129-V152 HydrophobicContact CE2-CG1 4.03Å; F129-V152 WeakPolarHBondContact CE2-O 3.27Å; F129-V152 VanDerWaalsContact CZ-O 3.32Å; F129-V152 WeakPolarHBondContact CZ-O 3.39Å; W132-V152 HydrophobicContact CH2-CG1 4.05Å; W132-V152 HydrophobicContact CZ3-CG1 4.47Å; A143-V152 HydrophobicContact CB-CG2 4.19Å; A144-V152 HydrophobicContact CB-CG2 4.08Å; D149-V152 PolarHBondContact O-N 2.95Å; V152-V158 HydrophobicContact CG1-CG2 3.99Å | ||
| 153 | H | 97.7 | Very high | 97.9 | Very high | 111 Ų | 111 | 48 Ų | 48 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | trans | -107 | -34.8 | -172.2 | -61.6 | -65.2 | 0 | 0 | 0 | 114.2 | F129 G150 K151 H161 | F129-H153 WeakPolarHBondContact CE1-O 3.46Å; F129-H153 WeakPolarHBondContact CZ-O 3.48Å; G150-H153 PolarHBondContact O-CE1 2.9Å; K151-H153 PolarHBondContact O-CD2 3.19Å; K151-H153 VanDerWaalsContact O-CD2 3.3Å; H153-H161 AromaticContact CD2-CD2 3.93Å; H153-H161 AromaticContact CD2-NE2 3.88Å | ||
| 154 | S | 98 | Very high | 97.8 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | trans | -147.8 | 169.6 | 176.4 | 88.8 | 0 | 0 | 0 | 0 | 110.6 | W132 E156 N157 V158 | W132-S154 VanDerWaalsContact CZ2-C 3.41Å; S154-E156 VanDerWaalsContact CB-OE2 3.3Å; S154-E156 WeakPolarHBondContact CB-OE2 3.29Å; S154-E156 PolarHBondContact OG-OE2 2.71Å; S154-N157 PolarHBondContact OG-N 3.13Å; S154-V158 VanDerWaalsContact O-CA 3.3Å; S154-V158 WeakPolarHBondContact O-CA 3.23Å; S154-V158 PolarHBondContact O-N 3.41Å | ||
| 155 | Y | 97.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -78.3 | -37.9 | -178.8 | 176.7 | -109.5 | 0 | 0 | 0 | 111.3 | W132 Q136 K139 N157 V158 | W132-Y155 HydrophobicContact CE3-CD2 4.45Å; W132-Y155 HydrophobicContact CZ3-CD2 4.33Å; Q136-Y155 HydrophobicContact CB-CD2 3.73Å; Q136-Y155 HydrophobicContact CB-CE2 3.77Å; Q136-Y155 HydrophobicContact CB-CG 4.41Å; Q136-Y155 HydrophobicContact CG-CD1 4.21Å; Q136-Y155 HydrophobicContact CG-CD2 3.64Å; Q136-Y155 HydrophobicContact CG-CE1 4.02Å; Q136-Y155 HydrophobicContact CG-CE2 3.45Å; Q136-Y155 VanDerWaalsContact CG-CE2 3.45Å; Q136-Y155 HydrophobicContact CG-CG 4.03Å; K139-Y155 HydrophobicContact CB-CE2 4.38Å; K139-Y155 HydrophobicContact CD-CE2 3.84Å; Y155-N157 VanDerWaalsContact C-N 3.28Å; Y155-N157 PolarHBondContact O-N 2.97Å; Y155-V158 WeakPolarHBondContact O-CB 3.4Å; Y155-V158 WeakPolarHBondContact O-CG1 3.44Å; Y155-V158 PolarHBondContact O-N 2.8Å |
| 156 | E | 96.8 | Very high | 97.8 | Very high | 147 Ų | 147 | 55.2 Ų | 55.2 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -36.8 | -179 | -55.2 | 70.5 | -151 | 0 | 0 | 111 | S154 | S154-E156 VanDerWaalsContact CB-OE2 3.3Å; S154-E156 WeakPolarHBondContact CB-OE2 3.29Å; S154-E156 PolarHBondContact OG-OE2 2.71Å |
| 157 | N | 96.7 | Very high | 97.8 | Very high | 93 Ų | 93 | 53.1 Ų | 53.1 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 27.2 | -179.1 | -65 | -49.3 | 0 | 0 | 0 | 112.3 | S154 Y155 D159 Q160 | S154-N157 PolarHBondContact OG-N 3.13Å; Y155-N157 VanDerWaalsContact C-N 3.28Å; Y155-N157 PolarHBondContact O-N 2.97Å; N157-D159 PolarHBondContact O-N 2.81Å; N157-Q160 HydrophobicContact CB-CB 4.15Å; N157-Q160 VanDerWaalsContact O-CB 3.23Å; N157-Q160 WeakPolarHBondContact O-CB 3.16Å; N157-Q160 PolarHBondContact O-N 3.21Å |
| 158 | V | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.3 | -172.6 | 67.6 | 0 | 0 | 0 | 0 | 113.5 | K139 A143 V152 S154 Y155 | K139-V158 HydrophobicContact CD-CG1 4.23Å; K139-V158 HydrophobicContact CG-CG1 4.46Å; A143-V158 HydrophobicContact CB-CG2 3.78Å; V152-V158 HydrophobicContact CG1-CG2 3.99Å; S154-V158 VanDerWaalsContact O-CA 3.3Å; S154-V158 WeakPolarHBondContact O-CA 3.23Å; S154-V158 PolarHBondContact O-N 3.41Å; Y155-V158 WeakPolarHBondContact O-CB 3.4Å; Y155-V158 WeakPolarHBondContact O-CG1 3.44Å; Y155-V158 PolarHBondContact O-N 2.8Å |
| 159 | D | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.3 | -178.4 | -79 | -23.7 | 0 | 0 | 0 | 114.2 | N157 H161 T162 K165 Y167 S168 N169 | N157-D159 PolarHBondContact O-N 2.81Å; D159-H161 PolarHBondContact O-N 2.84Å; D159-T162 HydrophobicContact CB-CG2 4.34Å; D159-T162 WeakPolarHBondContact CB-OG1 3.31Å; D159-T162 PolarHBondContact O-N 3.28Å; D159-T162 PolarHBondContact O-OG1 3.19Å; D159-K165 WeakPolarHBondContact O-CA 3.22Å; D159-Y167 PolarHBondContact OD2-N 2.72Å; D159-S168 VanDerWaalsContact OD1-CB 3.27Å; D159-S168 WeakPolarHBondContact OD1-CB 3.22Å; D159-S168 PolarHBondContact OD1-N 3.18Å; D159-S168 PolarHBondContact OD1-OG 3.3Å; D159-S168 PolarHBondContact OD2-N 2.92Å; D159-S168 PolarHBondContact OD2-OG 3.01Å; D159-N169 WeakPolarHBondContact OD2-CB 3.27Å; D159-N169 PolarHBondContact OD2-N 3.24Å; D159-N169 PolarHBondContact OD2-ND2 2.81Å |
| 160 | Q | 97.9 | Very high | 98 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -32.2 | -171.7 | -179.9 | 177.6 | 4.6 | 0 | 0 | 113.9 | N157 | N157-Q160 HydrophobicContact CB-CB 4.15Å; N157-Q160 VanDerWaalsContact O-CB 3.23Å; N157-Q160 WeakPolarHBondContact O-CB 3.16Å; N157-Q160 PolarHBondContact O-N 3.21Å |
| 161 | H | 98 | Very high | 98 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 39% | 0.394 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 9.6 | -178.7 | -62.3 | -73.7 | 0 | 0 | 0 | 114.1 | T147 K151 H153 D159 | T147-H161 PolarHBondContact OG1-O 3.21Å; K151-H161 HydrophobicContact CB-CB 3.86Å; K151-H161 HydrophobicContact CD-CB 4.11Å; K151-H161 HydrophobicContact CG-CB 4.48Å; K151-H161 PolarHBondContact O-CD2 2.98Å; H153-H161 AromaticContact CD2-CD2 3.93Å; H153-H161 AromaticContact CD2-NE2 3.88Å; D159-H161 PolarHBondContact O-N 2.84Å |
| 162 | T | 98.5 | Very high | 98.1 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.049 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -87.2 | 159.6 | 178.1 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | A143 N146 T147 D159 G164 K165 D166 Y167 | A143-T162 HydrophobicContact CB-CG2 4.01Å; N146-T162 WeakPolarHBondContact OD1-CA 3.42Å; N146-T162 VanDerWaalsContact OD1-CB 3.31Å; N146-T162 WeakPolarHBondContact OD1-CB 3.42Å; T147-T162 HydrophobicContact CG2-CG2 3.97Å; D159-T162 HydrophobicContact CB-CG2 4.34Å; D159-T162 WeakPolarHBondContact CB-OG1 3.31Å; D159-T162 PolarHBondContact O-N 3.28Å; D159-T162 PolarHBondContact O-OG1 3.19Å; T162-G164 PolarHBondContact O-N 2.82Å; T162-K165 PolarHBondContact O-N 3.35Å; T162-D166 PolarHBondContact OG1-N 3.29Å; T162-Y167 VanDerWaalsContact CB-CB 3.47Å; T162-Y167 PolarHBondContact OG1-N 3.16Å |
| 163 | T | 95.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 53% | 0.534 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -55.5 | 128.9 | 171.2 | -61.3 | 0 | 0 | 0 | 0 | 109.7 | R70 N146 K165 | R70-T163 PolarHBondContact NH2-O 3Å; N146-T163 PolarHBondContact ND2-OG1 3.33Å; N146-T163 PolarHBondContact OD1-N 3.36Å; T163-K165 PolarHBondContact O-N 3.08Å |
| 164 | G | 96.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | 75.4 | -6.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S15 T162 D166 | S15-G164 PolarHBondContact OG-O 2.93Å; T162-G164 PolarHBondContact O-N 2.82Å; G164-D166 PolarHBondContact O-N 2.94Å |
| 165 | K | 98.3 | Very high | 98.2 | Very high | 158 Ų | 158 | 36.8 Ų | 36.8 | 69% | 0.687 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | 56.7 | 29.4 | -171.9 | -54.7 | -176.8 | 177.3 | -178.4 | 0 | 113.5 | D159 T162 T163 | D159-K165 WeakPolarHBondContact O-CA 3.22Å; T162-K165 PolarHBondContact O-N 3.35Å; T163-K165 PolarHBondContact O-N 3.08Å |
| 166 | D | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | trans | -149.6 | 10.6 | -171.3 | 66.5 | 4.6 | 0 | 0 | 0 | 113.9 | S15 T18 R70 T162 G164 S168 N169 D170 | S15-D166 VanDerWaalsContact CB-OD2 3.23Å; S15-D166 WeakPolarHBondContact CB-OD2 3.35Å; S15-D166 PolarHBondContact N-OD2 2.65Å; S15-D166 PolarHBondContact OG-OD2 2.74Å; T18-D166 WeakPolarHBondContact CB-OD2 3.47Å; T18-D166 PolarHBondContact OG1-OD1 3.19Å; T18-D166 PolarHBondContact OG1-OD2 2.76Å; R70-D166 IonicContact CZ-OD1 3.14Å; R70-D166 VanDerWaalsContact CZ-OD1 3.31Å; R70-D166 IonicContact NH1-OD1 2.76Å; R70-D166 PolarHBondContact NH1-OD1 3.29Å; R70-D166 IonicContact NH2-OD1 3.99Å; R70-D166 PolarHBondContact NH2-OD1 2.74Å; T162-D166 PolarHBondContact OG1-N 3.29Å; G164-D166 PolarHBondContact O-N 2.94Å; D166-S168 PolarHBondContact O-N 3.47Å; D166-N169 PolarHBondContact O-N 3.02Å; D166-D170 WeakPolarHBondContact O-CB 3.21Å; D166-D170 PolarHBondContact O-N 3.37Å | ||
| 167 | Y | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -53.7 | -164.2 | -175.3 | -83.7 | 0 | 0 | 0 | 112.7 | R70 E71 I142 Y145 N146 D159 T162 V171 | R70-Y167 HydrophobicContact CG-CD2 4.02Å; R70-Y167 HydrophobicContact CG-CE2 3.66Å; E71-Y167 VanDerWaalsContact OE1-CE2 3.23Å; E71-Y167 WeakPolarHBondContact OE1-CE2 3.3Å; E71-Y167 VanDerWaalsContact OE1-CZ 3.26Å; E71-Y167 PolarHBondContact OE1-OH 3.25Å; I142-Y167 HydrophobicContact CG2-CD1 4.13Å; I142-Y167 HydrophobicContact CG2-CE1 3.97Å; I142-Y167 WeakPolarHBondContact O-CD1 3.32Å; I142-Y167 VanDerWaalsContact O-CE1 3.3Å; I142-Y167 WeakPolarHBondContact O-CE1 3.41Å; Y145-Y167 WeakPolarHBondContact CD1-OH 3.21Å; N146-Y167 HydrophobicContact CB-CD1 3.63Å; N146-Y167 HydrophobicContact CB-CD2 3.56Å; N146-Y167 HydrophobicContact CB-CE1 3.81Å; N146-Y167 HydrophobicContact CB-CE2 3.71Å; N146-Y167 HydrophobicContact CB-CG 3.52Å; D159-Y167 PolarHBondContact OD2-N 2.72Å; T162-Y167 VanDerWaalsContact CB-CB 3.47Å; T162-Y167 PolarHBondContact OG1-N 3.16Å; Y167-V171 HydrophobicContact CD1-CG2 4.22Å; Y167-V171 HydrophobicContact CE1-CG2 3.93Å; Y167-V171 VanDerWaalsContact O-CB 3.32Å; Y167-V171 WeakPolarHBondContact O-CB 3.23Å; Y167-V171 WeakPolarHBondContact O-CG2 3.47Å; Y167-V171 PolarHBondContact O-N 3.21Å |
| 168 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.2 | -34.7 | 178.8 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | K139 D159 D166 V172 | K139-S168 WeakPolarHBondContact CE-OG 3.24Å; K139-S168 WeakPolarHBondContact CG-OG 3.23Å; K139-S168 WeakPolarHBondContact O-CB 3.47Å; D159-S168 VanDerWaalsContact OD1-CB 3.27Å; D159-S168 WeakPolarHBondContact OD1-CB 3.22Å; D159-S168 PolarHBondContact OD1-N 3.18Å; D159-S168 PolarHBondContact OD1-OG 3.3Å; D159-S168 PolarHBondContact OD2-N 2.92Å; D159-S168 PolarHBondContact OD2-OG 3.01Å; D166-S168 PolarHBondContact O-N 3.47Å; S168-V172 VanDerWaalsContact O-CB 3.29Å; S168-V172 WeakPolarHBondContact O-CB 3.45Å; S168-V172 WeakPolarHBondContact O-CG2 3.2Å; S168-V172 PolarHBondContact O-N 3.23Å |
| 169 | N | 98.9 | Very high | 98.5 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 11% | 0.107 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 175.6 | -81.7 | -68.1 | 0 | 0 | 0 | 112.5 | A11 S12 K139 D159 D166 A173 | A11-N169 WeakPolarHBondContact CA-OD1 3.34Å; A11-N169 WeakPolarHBondContact CB-O 3.49Å; S12-N169 PolarHBondContact N-OD1 3.38Å; S12-N169 PolarHBondContact OG-OD1 2.9Å; S12-N169 VanDerWaalsContact OG-OD1 3.12Å; K139-N169 WeakPolarHBondContact CE-OD1 3.31Å; K139-N169 PolarHBondContact NZ-OD1 2.53Å; D159-N169 WeakPolarHBondContact OD2-CB 3.27Å; D159-N169 PolarHBondContact OD2-N 3.24Å; D159-N169 PolarHBondContact OD2-ND2 2.81Å; D166-N169 PolarHBondContact O-N 3.02Å; N169-A173 PolarHBondContact O-N 2.99Å; N169-A173 VanDerWaalsContact O-N 3.17Å |
| 170 | D | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.8 | -50.1 | 177 | 178.8 | 24.2 | 0 | 0 | 0 | 111.1 | A14 T18 S32 R70 D166 V172 A173 R174 | A14-D170 HydrophobicContact CB-CB 4.29Å; T18-D170 WeakPolarHBondContact CG2-OD2 3.49Å; S32-D170 VanDerWaalsContact CB-OD1 3.24Å; S32-D170 WeakPolarHBondContact CB-OD1 3.37Å; S32-D170 PolarHBondContact OG-OD1 2.94Å; R70-D170 WeakPolarHBondContact CD-OD2 3.11Å; R70-D170 IonicContact CZ-OD2 3.93Å; R70-D170 IonicContact NE-OD2 2.96Å; R70-D170 IonicContact NH1-OD2 3.37Å; R70-D170 PolarHBondContact NH1-OD2 2.67Å; D166-D170 WeakPolarHBondContact O-CB 3.21Å; D166-D170 PolarHBondContact O-N 3.37Å; D170-V172 VanDerWaalsContact C-N 3.33Å; D170-V172 PolarHBondContact O-N 3.4Å; D170-A173 PolarHBondContact O-N 2.97Å; D170-A173 VanDerWaalsContact O-N 3.09Å; D170-R174 VanDerWaalsContact CG-NE 3.33Å; D170-R174 WeakPolarHBondContact O-CG 3.34Å; D170-R174 PolarHBondContact O-N 3.19Å; D170-R174 IonicContact OD1-CZ 3.88Å; D170-R174 IonicContact OD1-NE 2.97Å; D170-R174 PolarHBondContact OD1-NE 2.96Å; D170-R174 IonicContact OD1-NH2 3.67Å; D170-R174 IonicContact OD2-CZ 2.67Å; D170-R174 IonicContact OD2-NE 3.53Å; D170-R174 PolarHBondContact OD2-NE 3.14Å; D170-R174 IonicContact OD2-NH2 3.94Å; D170-R174 PolarHBondContact OD2-NH2 2.76Å |
| 171 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 179.6 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | L63 A66 I67 R70 I142 Y167 A173 R174 A175 | L63-V171 HydrophobicContact CD1-CG1 3.7Å; A66-V171 HydrophobicContact CB-CG1 3.99Å; A66-V171 VanDerWaalsContact CB-O 3.29Å; A66-V171 WeakPolarHBondContact CB-O 3.43Å; I67-V171 HydrophobicContact CG1-CG1 3.78Å; R70-V171 HydrophobicContact CB-CG2 3.71Å; R70-V171 HydrophobicContact CG-CG2 3.81Å; I142-V171 HydrophobicContact CG2-CB 3.88Å; I142-V171 HydrophobicContact CG2-CG1 3.67Å; I142-V171 HydrophobicContact CG2-CG2 4.39Å; Y167-V171 HydrophobicContact CD1-CG2 4.22Å; Y167-V171 HydrophobicContact CE1-CG2 3.93Å; Y167-V171 VanDerWaalsContact O-CB 3.32Å; Y167-V171 WeakPolarHBondContact O-CB 3.23Å; Y167-V171 WeakPolarHBondContact O-CG2 3.47Å; Y167-V171 PolarHBondContact O-N 3.21Å; V171-A173 PolarHBondContact O-N 2.91Å; V171-R174 PolarHBondContact O-N 3.17Å; V171-A175 WeakPolarHBondContact O-CB 3.26Å; V171-A175 PolarHBondContact O-N 2.62Å |
| 172 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | I6 V9 A11 K139 I142 S168 D170 A175 K176 | I6-V172 HydrophobicContact CD1-CB 4.33Å; I6-V172 HydrophobicContact CD1-CG1 4.19Å; I6-V172 HydrophobicContact CD1-CG2 3.86Å; V9-V172 HydrophobicContact CB-CG1 3.83Å; V9-V172 HydrophobicContact CB-CG2 4.36Å; V9-V172 HydrophobicContact CG1-CB 4.45Å; V9-V172 HydrophobicContact CG1-CG1 3.85Å; V9-V172 HydrophobicContact CG1-CG2 3.77Å; A11-V172 HydrophobicContact CB-CB 3.79Å; A11-V172 HydrophobicContact CB-CG1 3.58Å; K139-V172 HydrophobicContact CG-CG2 4.46Å; I142-V172 HydrophobicContact CD1-CG2 3.91Å; S168-V172 VanDerWaalsContact O-CB 3.29Å; S168-V172 WeakPolarHBondContact O-CB 3.45Å; S168-V172 WeakPolarHBondContact O-CG2 3.2Å; S168-V172 PolarHBondContact O-N 3.23Å; D170-V172 VanDerWaalsContact C-N 3.33Å; D170-V172 PolarHBondContact O-N 3.4Å; V172-A175 PolarHBondContact O-N 3.5Å; V172-K176 WeakPolarHBondContact O-CG 3.47Å; V172-K176 PolarHBondContact O-N 3.36Å |
| 173 | A | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V29 S32 N169 D170 V171 A175 K176 W177 | V29-A173 HydrophobicContact CG1-CB 4.28Å; V29-A173 HydrophobicContact CG2-CB 4.47Å; S32-A173 VanDerWaalsContact CB-CB 3.45Å; N169-A173 PolarHBondContact O-N 2.99Å; N169-A173 VanDerWaalsContact O-N 3.17Å; D170-A173 PolarHBondContact O-N 2.97Å; D170-A173 VanDerWaalsContact O-N 3.09Å; V171-A173 PolarHBondContact O-N 2.91Å; A173-A175 VanDerWaalsContact C-N 3.34Å; A173-A175 PolarHBondContact O-N 3.15Å; A173-K176 PolarHBondContact O-N 3.13Å; A173-W177 PolarHBondContact O-N 2.94Å; A173-W177 VanDerWaalsContact O-N 3.15Å |
| 174 | R | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 172.3 | -64.7 | -171.5 | -164.2 | -155.4 | 11 | 112 | S32 M35 A36 D39 A66 S69 D170 V171 K176 W177 Y178 | S32-R174 WeakPolarHBondContact O-CG 3.32Å; M35-R174 VanDerWaalsContact CE-NH2 3.3Å; A36-R174 HydrophobicContact CB-CB 4Å; A36-R174 HydrophobicContact CB-CG 4.02Å; D39-R174 IonicContact OD2-NH1 3.77Å; A66-R174 HydrophobicContact CB-CB 3.82Å; S69-R174 VanDerWaalsContact C-NH1 3.31Å; S69-R174 PolarHBondContact O-NH1 3.48Å; S69-R174 VanDerWaalsContact O-NH1 3.13Å; S69-R174 PolarHBondContact OG-NH1 3.26Å; D170-R174 VanDerWaalsContact CG-NE 3.33Å; D170-R174 WeakPolarHBondContact O-CG 3.34Å; D170-R174 PolarHBondContact O-N 3.19Å; D170-R174 IonicContact OD1-CZ 3.88Å; D170-R174 IonicContact OD1-NE 2.97Å; D170-R174 PolarHBondContact OD1-NE 2.96Å; D170-R174 IonicContact OD1-NH2 3.67Å; D170-R174 IonicContact OD2-CZ 2.67Å; D170-R174 IonicContact OD2-NE 3.53Å; D170-R174 PolarHBondContact OD2-NE 3.14Å; D170-R174 IonicContact OD2-NH2 3.94Å; D170-R174 PolarHBondContact OD2-NH2 2.76Å; V171-R174 PolarHBondContact O-N 3.17Å; R174-K176 VanDerWaalsContact C-N 3.34Å; R174-K176 PolarHBondContact O-N 3.29Å; R174-W177 WeakPolarHBondContact O-CB 3.3Å; R174-W177 PolarHBondContact O-N 3.27Å; R174-W177 VanDerWaalsContact O-N 3.13Å; R174-Y178 HydrophobicContact CB-CE2 4.42Å; R174-Y178 WeakPolarHBondContact O-CD2 3.45Å; R174-Y178 PolarHBondContact O-N 3.29Å |
| 175 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I6 A62 L63 A66 V171 V172 A173 W177 Y178 K179 | I6-A175 HydrophobicContact CD1-CB 4.22Å; I6-A175 HydrophobicContact CG1-CB 3.6Å; A62-A175 WeakPolarHBondContact CB-O 3.3Å; L63-A175 HydrophobicContact CD1-CB 4.47Å; A66-A175 HydrophobicContact CB-CB 3.6Å; V171-A175 WeakPolarHBondContact O-CB 3.26Å; V171-A175 PolarHBondContact O-N 2.62Å; V172-A175 PolarHBondContact O-N 3.5Å; A173-A175 VanDerWaalsContact C-N 3.34Å; A173-A175 PolarHBondContact O-N 3.15Å; A175-W177 VanDerWaalsContact C-N 3.28Å; A175-W177 PolarHBondContact O-N 3.11Å; A175-Y178 PolarHBondContact O-N 3.33Å; A175-K179 WeakPolarHBondContact O-CB 3.41Å; A175-K179 PolarHBondContact O-N 3.24Å |
| 176 | K | 98.8 | Very high | 98.3 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 21% | 0.213 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 174.2 | -69.4 | -175.6 | -174.5 | -159.7 | 0 | 112.1 | I6 T7 V9 V172 A173 R174 R180 | I6-K176 VanDerWaalsContact O-CE 3.25Å; I6-K176 WeakPolarHBondContact O-CE 3.36Å; T7-K176 VanDerWaalsContact O-CE 3.32Å; T7-K176 WeakPolarHBondContact O-CE 3.48Å; T7-K176 PolarHBondContact O-NZ 2.99Å; V9-K176 WeakPolarHBondContact O-CE 3.31Å; V9-K176 PolarHBondContact O-NZ 3.36Å; V172-K176 WeakPolarHBondContact O-CG 3.47Å; V172-K176 PolarHBondContact O-N 3.36Å; A173-K176 PolarHBondContact O-N 3.13Å; R174-K176 VanDerWaalsContact C-N 3.34Å; R174-K176 PolarHBondContact O-N 3.29Å; K176-R180 WeakPolarHBondContact O-CG 3.45Å; K176-R180 PolarHBondContact O-N 2.71Å; K176-R180 PolarHBondContact O-NH1 3.28Å |
| 177 | W | 98.8 | Very high | 98.3 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 11% | 0.106 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -49.8 | 173.6 | -172.6 | 91.8 | 0 | 0 | 0 | 111.8 | E33 A36 Q37 A173 R174 A175 K179 R180 N181 | E33-W177 HydrophobicContact CB-CB 4.28Å; E33-W177 HydrophobicContact CB-CG 4.17Å; E33-W177 HydrophobicContact CG-CB 4.02Å; E33-W177 HydrophobicContact CG-CG 4.38Å; A36-W177 HydrophobicContact CB-CB 4.3Å; A36-W177 HydrophobicContact CB-CD2 4.05Å; A36-W177 HydrophobicContact CB-CE3 3.72Å; A36-W177 HydrophobicContact CB-CG 4.3Å; A36-W177 HydrophobicContact CB-CZ3 4.47Å; Q37-W177 HydrophobicContact CB-CH2 4.12Å; Q37-W177 HydrophobicContact CB-CZ2 3.59Å; Q37-W177 HydrophobicContact CG-CH2 4.34Å; Q37-W177 HydrophobicContact CG-CZ2 3.79Å; A173-W177 PolarHBondContact O-N 2.94Å; A173-W177 VanDerWaalsContact O-N 3.15Å; R174-W177 WeakPolarHBondContact O-CB 3.3Å; R174-W177 PolarHBondContact O-N 3.27Å; R174-W177 VanDerWaalsContact O-N 3.13Å; A175-W177 VanDerWaalsContact C-N 3.28Å; A175-W177 PolarHBondContact O-N 3.11Å; W177-K179 VanDerWaalsContact C-N 3.26Å; W177-K179 PolarHBondContact O-N 3.42Å; W177-R180 PolarHBondContact O-N 3.26Å; W177-R180 VanDerWaalsContact O-N 3.15Å; W177-N181 VanDerWaalsContact CE2-ND2 3.33Å; W177-N181 HydrophobicContact CE3-CB 4.29Å; W177-N181 HydrophobicContact CH2-CB 3.95Å; W177-N181 HydrophobicContact CZ2-CB 4.25Å; W177-N181 HydrophobicContact CZ3-CB 3.98Å; W177-N181 PolarHBondContact O-N 2.9Å; W177-N181 VanDerWaalsContact O-N 3.15Å; W177-N181 PolarHBondContact O-ND2 3.16Å |
| 178 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.5 | -38.7 | 177.3 | -77.5 | -62.5 | 0 | 0 | 0 | 112.1 | A36 D39 M43 A65 A66 S69 R174 A175 R180 N181 G182 F183 | A36-Y178 HydrophobicContact CB-CD2 4.33Å; A36-Y178 HydrophobicContact CB-CE2 3.77Å; A36-Y178 PolarHBondContact O-OH 3.33Å; D39-Y178 WeakPolarHBondContact CB-OH 3.37Å; M43-Y178 HydrophobicContact CB-CE1 4.24Å; M43-Y178 HydrophobicContact CE-CE1 4.47Å; M43-Y178 HydrophobicContact CE-CE2 4.42Å; M43-Y178 WeakPolarHBondContact CE-OH 3.38Å; M43-Y178 HydrophobicContact CG-CE1 4.03Å; A65-Y178 HydrophobicContact CB-CD1 4.18Å; A65-Y178 HydrophobicContact CB-CD2 3.92Å; A65-Y178 HydrophobicContact CB-CE1 4.48Å; A65-Y178 HydrophobicContact CB-CE2 4.26Å; A65-Y178 HydrophobicContact CB-CG 3.9Å; A66-Y178 HydrophobicContact CB-CD2 4.22Å; S69-Y178 WeakPolarHBondContact CB-OH 3.12Å; R174-Y178 HydrophobicContact CB-CE2 4.42Å; R174-Y178 WeakPolarHBondContact O-CD2 3.45Å; R174-Y178 PolarHBondContact O-N 3.29Å; A175-Y178 PolarHBondContact O-N 3.33Å; Y178-R180 VanDerWaalsContact C-N 3.33Å; Y178-R180 PolarHBondContact O-N 3.02Å; Y178-N181 CarbonylContact O-C 3.43Å; Y178-N181 VanDerWaalsContact O-C 3.32Å; Y178-N181 PolarHBondContact O-N 3.04Å; Y178-G182 PolarHBondContact O-N 3.2Å; Y178-F183 AromaticContact CD1-CD2 3.74Å; Y178-F183 HydrophobicContact CD1-CD2 3.74Å; Y178-F183 AromaticContact CD1-CE2 3.81Å; Y178-F183 HydrophobicContact CD1-CE2 3.81Å; Y178-F183 HydrophobicContact CE1-CE2 4.34Å; Y178-F183 HydrophobicContact CG-CD2 4.3Å; Y178-F183 PolarHBondContact O-N 3.14Å |
| 179 | K | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 31.4 Ų | 31.4 | 33% | 0.33 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 176.6 | -163.9 | 77.5 | -160.8 | 163.4 | 0 | 112.5 | T7 D60 A62 A175 W177 N181 F183 | T7-K179 HydrophobicContact CG2-CG 4.15Å; D60-K179 IonicContact OD1-NZ 2.94Å; D60-K179 PolarHBondContact OD1-NZ 3.46Å; D60-K179 WeakPolarHBondContact OD2-CD 3.11Å; D60-K179 VanDerWaalsContact OD2-CE 3.27Å; D60-K179 WeakPolarHBondContact OD2-CE 3.19Å; D60-K179 IonicContact OD2-NZ 2.76Å; D60-K179 PolarHBondContact OD2-NZ 3.42Å; A62-K179 HydrophobicContact CB-CB 3.95Å; A62-K179 HydrophobicContact CB-CD 3.88Å; A175-K179 WeakPolarHBondContact O-CB 3.41Å; A175-K179 PolarHBondContact O-N 3.24Å; W177-K179 VanDerWaalsContact C-N 3.26Å; W177-K179 PolarHBondContact O-N 3.42Å; K179-N181 PolarHBondContact O-N 3.29Å; K179-F183 WeakPolarHBondContact CA-O 3.44Å; K179-F183 WeakPolarHBondContact CD-O 3.5Å; K179-F183 PolarHBondContact NZ-O 3.3Å |
| 180 | R | 98.4 | Very high | 98.2 | Very high | 143 Ų | 143 | 32.2 Ų | 32.2 | 54% | 0.54 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -73.6 | -15.6 | 177.3 | -65.2 | -174 | -57.8 | -93.7 | 4.4 | 113.3 | E33 K176 W177 Y178 | E33-R180 IonicContact OE1-CZ 3.33Å; E33-R180 IonicContact OE1-NH1 3.7Å; E33-R180 IonicContact OE1-NH2 2.92Å; E33-R180 PolarHBondContact OE1-NH2 3.35Å; E33-R180 IonicContact OE2-NH2 2.84Å; E33-R180 PolarHBondContact OE2-NH2 3.07Å; K176-R180 WeakPolarHBondContact O-CG 3.45Å; K176-R180 PolarHBondContact O-N 2.71Å; K176-R180 PolarHBondContact O-NH1 3.28Å; W177-R180 PolarHBondContact O-N 3.26Å; W177-R180 VanDerWaalsContact O-N 3.15Å; Y178-R180 VanDerWaalsContact C-N 3.33Å; Y178-R180 PolarHBondContact O-N 3.02Å |
| 181 | N | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 44% | 0.439 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 28.7 | -173.8 | -68.3 | -86 | 0 | 0 | 0 | 112.6 | W177 Y178 K179 | W177-N181 VanDerWaalsContact CE2-ND2 3.33Å; W177-N181 HydrophobicContact CE3-CB 4.29Å; W177-N181 HydrophobicContact CH2-CB 3.95Å; W177-N181 HydrophobicContact CZ2-CB 4.25Å; W177-N181 HydrophobicContact CZ3-CB 3.98Å; W177-N181 PolarHBondContact O-N 2.9Å; W177-N181 VanDerWaalsContact O-N 3.15Å; W177-N181 PolarHBondContact O-ND2 3.16Å; Y178-N181 CarbonylContact O-C 3.43Å; Y178-N181 VanDerWaalsContact O-C 3.32Å; Y178-N181 PolarHBondContact O-N 3.04Å; K179-N181 PolarHBondContact O-N 3.29Å |
| 182 | G | 93.9 | Very high | 98 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 19.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | K47 Y178 | K47-G182 WeakPolarHBondContact CE-O 2.98Å; K47-G182 PolarHBondContact NZ-O 2.91Å; Y178-G182 PolarHBondContact O-N 3.2Å |
| 183 | F | 95.6 | Very high | 98 | Very high | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | trans | -105.8 | 0 | 165.6 | -72.1 | -99.3 | 0 | 0 | 0 | 111.8 | M43 K47 I50 A62 A65 Y178 K179 | M43-F183 HydrophobicContact CB-CZ 4.38Å; M43-F183 HydrophobicContact CG-CE1 4.18Å; M43-F183 HydrophobicContact CG-CE2 4.25Å; M43-F183 HydrophobicContact CG-CZ 3.58Å; K47-F183 HydrophobicContact CB-CE1 4.13Å; K47-F183 HydrophobicContact CB-CZ 4.11Å; K47-F183 HydrophobicContact CD-CE1 4.44Å; K47-F183 HydrophobicContact CD-CE2 4.44Å; K47-F183 HydrophobicContact CD-CZ 4.13Å; K47-F183 HydrophobicContact CG-CD1 4.43Å; K47-F183 HydrophobicContact CG-CE1 3.82Å; K47-F183 HydrophobicContact CG-CZ 3.93Å; I50-F183 HydrophobicContact CB-CE1 4.44Å; I50-F183 HydrophobicContact CD1-CE1 3.98Å; I50-F183 HydrophobicContact CG2-CD1 4.04Å; I50-F183 HydrophobicContact CG2-CE1 4.12Å; A62-F183 HydrophobicContact CB-CB 3.81Å; A65-F183 HydrophobicContact CB-CD1 3.8Å; A65-F183 HydrophobicContact CB-CE1 3.87Å; A65-F183 HydrophobicContact CB-CG 4.21Å; A65-F183 HydrophobicContact CB-CZ 4.35Å; Y178-F183 AromaticContact CD1-CD2 3.74Å; Y178-F183 HydrophobicContact CD1-CD2 3.74Å; Y178-F183 AromaticContact CD1-CE2 3.81Å; Y178-F183 HydrophobicContact CD1-CE2 3.81Å; Y178-F183 HydrophobicContact CE1-CE2 4.34Å; Y178-F183 HydrophobicContact CG-CD2 4.3Å; Y178-F183 PolarHBondContact O-N 3.14Å; K179-F183 WeakPolarHBondContact CA-O 3.44Å; K179-F183 WeakPolarHBondContact CD-O 3.5Å; K179-F183 PolarHBondContact NZ-O 3.3Å |
Retrieved 183 of 183 residues in 126.6 ms
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