| 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 | 67.2 | Low | 79 | Confident | 132 Ų | 132 | 75.8 Ų | 75.8 | 65% | 0.65 | 38% | 0.376 | S | S | * | . | 0 | 143.5 | 0 | -101.8 | 174.1 | -80.9 | 0 | 0 | 107.8 | F6 L9 | M1-F6 HydrophobicContact CB-CB 4.37Å; M1-L9 HydrophobicContact CE-CD2 3.53Å; M1-L9 HydrophobicContact SD-CB 4.27Å; M1-L9 HydrophobicContact SD-CD2 3.69Å | |||
| 2 | D | 78.8 | Confident | 79.5 | Confident | 76 Ų | 76 | 69.9 Ų | 69.9 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | trans | -71.3 | 163.4 | 162.4 | 57.7 | 29.6 | 0 | 0 | 0 | 110 | E4 S5 F6 K42 | D2-E4 PolarHBondContact O-N 3.36Å; D2-S5 PolarHBondContact O-N 3.12Å; D2-S5 WeakPolarHBondContact OD1-CB 3.46Å; D2-S5 PolarHBondContact OD1-N 3.06Å; D2-S5 PolarHBondContact OD1-OG 3.28Å; D2-F6 PolarHBondContact O-N 2.78Å; D2-K42 IonicContact OD1-NZ 2.88Å; D2-K42 IonicContact OD2-NZ 3.38Å; D2-K42 PolarHBondContact OD2-NZ 3.3Å | ||
| 3 | L | 76.1 | Confident | 79.8 | Confident | 136 Ų | 136 | 64.5 Ų | 64.5 | 71% | 0.712 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -58.3 | -37.7 | -175.1 | -162 | 88.3 | 0 | 0 | 0 | 111.8 | F6 N7 | L3-F6 PolarHBondContact O-N 3.4Å; L3-N7 WeakPolarHBondContact O-CB 3.31Å; L3-N7 PolarHBondContact O-N 3.16Å; L3-N7 PolarHBondContact O-ND2 3.17Å; L3-N7 PolarHBondContact O-OD1 3.13Å |
| 4 | E | 77.6 | Confident | 79.9 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -50.5 | 177.4 | -171.3 | -176.6 | -161 | 0 | 0 | 111.5 | D2 F6 N7 I8 K42 | D2-E4 PolarHBondContact O-N 3.36Å; E4-F6 VanDerWaalsContact C-N 3.29Å; E4-F6 PolarHBondContact O-N 3.18Å; E4-N7 PolarHBondContact O-N 3.06Å; E4-I8 HydrophobicContact CG-CD1 4.17Å; E4-I8 VanDerWaalsContact O-CG1 3.26Å; E4-I8 WeakPolarHBondContact O-CG1 3.44Å; E4-I8 PolarHBondContact O-N 3.3Å; E4-K42 VanDerWaalsContact OE2-CD 3.29Å; E4-K42 WeakPolarHBondContact OE2-CD 3.35Å; E4-K42 IonicContact OE2-NZ 3.71Å; E4-K42 PolarHBondContact OE2-NZ 3.17Å |
| 5 | S | 77.5 | Confident | 80.1 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.119 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | D2 L9 | D2-S5 PolarHBondContact O-N 3.12Å; D2-S5 WeakPolarHBondContact OD1-CB 3.46Å; D2-S5 PolarHBondContact OD1-N 3.06Å; D2-S5 PolarHBondContact OD1-OG 3.28Å; S5-L9 WeakPolarHBondContact O-CB 3.44Å; S5-L9 PolarHBondContact O-N 2.82Å |
| 6 | F | 79.6 | Confident | 80.5 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 37% | 0.373 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 175 | -178.9 | -92.2 | 0 | 0 | 0 | 111.5 | M1 D2 L3 E4 L9 H10 Y20 | M1-F6 HydrophobicContact CB-CB 4.37Å; D2-F6 PolarHBondContact O-N 2.78Å; L3-F6 PolarHBondContact O-N 3.4Å; E4-F6 VanDerWaalsContact C-N 3.29Å; E4-F6 PolarHBondContact O-N 3.18Å; F6-L9 PolarHBondContact O-N 3.42Å; F6-H10 WeakPolarHBondContact O-CB 3.35Å; F6-H10 PolarHBondContact O-N 3.06Å; F6-Y20 HydrophobicContact CD2-CE2 4.4Å; F6-Y20 WeakPolarHBondContact CD2-OH 3.26Å; F6-Y20 AromaticContact CE2-CE1 3.92Å; F6-Y20 HydrophobicContact CE2-CE1 3.92Å; F6-Y20 AromaticContact CE2-CE2 3.97Å; F6-Y20 HydrophobicContact CE2-CE2 3.97Å; F6-Y20 AromaticContact CE2-CZ 3.46Å; F6-Y20 VanDerWaalsContact CE2-CZ 3.46Å; F6-Y20 VanDerWaalsContact CE2-OH 3.27Å; F6-Y20 WeakPolarHBondContact CE2-OH 3.48Å |
| 7 | N | 81.2 | Confident | 80.6 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 47% | 0.465 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 177.1 | -72.1 | -12.7 | 0 | 0 | 0 | 111.5 | L3 E4 L9 H10 E11 | L3-N7 WeakPolarHBondContact O-CB 3.31Å; L3-N7 PolarHBondContact O-N 3.16Å; L3-N7 PolarHBondContact O-ND2 3.17Å; L3-N7 PolarHBondContact O-OD1 3.13Å; E4-N7 PolarHBondContact O-N 3.06Å; N7-L9 VanDerWaalsContact C-N 3.28Å; N7-L9 PolarHBondContact O-N 3.24Å; N7-H10 PolarHBondContact O-N 3.46Å; N7-E11 WeakPolarHBondContact O-CB 3.27Å; N7-E11 PolarHBondContact O-N 3.34Å |
| 8 | I | 81.2 | Confident | 80.7 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.3 | -60.7 | 167.1 | 0 | 0 | 0 | 109.7 | E4 E11 I12 F40 K42 I44 | E4-I8 HydrophobicContact CG-CD1 4.17Å; E4-I8 VanDerWaalsContact O-CG1 3.26Å; E4-I8 WeakPolarHBondContact O-CG1 3.44Å; E4-I8 PolarHBondContact O-N 3.3Å; I8-E11 PolarHBondContact O-N 3.25Å; I8-I12 HydrophobicContact CG2-CD1 4.21Å; I8-I12 WeakPolarHBondContact O-CG1 3.21Å; I8-I12 PolarHBondContact O-N 2.85Å; I8-F40 HydrophobicContact CB-CD1 4.46Å; I8-F40 HydrophobicContact CB-CE1 4.3Å; I8-F40 HydrophobicContact CD1-CD1 4.39Å; I8-F40 HydrophobicContact CG1-CD1 4.05Å; I8-F40 HydrophobicContact CG1-CE1 4.12Å; I8-F40 HydrophobicContact CG2-CD1 3.63Å; I8-F40 HydrophobicContact CG2-CD2 3.99Å; I8-F40 HydrophobicContact CG2-CE1 3.63Å; I8-F40 HydrophobicContact CG2-CE2 3.97Å; I8-F40 HydrophobicContact CG2-CG 3.81Å; I8-F40 HydrophobicContact CG2-CZ 3.79Å; I8-K42 HydrophobicContact CD1-CB 4.39Å; I8-I44 HydrophobicContact CB-CD1 3.47Å; I8-I44 VanDerWaalsContact CB-CD1 3.47Å; I8-I44 HydrophobicContact CB-CG1 4.16Å; I8-I44 HydrophobicContact CG2-CD1 3.11Å; I8-I44 HydrophobicContact CG2-CG1 3.91Å |
| 9 | L | 83.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.5 | -41.5 | -178.5 | 176.8 | 63.3 | 0 | 0 | 0 | 110.3 | M1 S5 F6 N7 E11 I12 C13 Y20 L23 I44 N48 F49 | M1-L9 HydrophobicContact CE-CD2 3.53Å; M1-L9 HydrophobicContact SD-CB 4.27Å; M1-L9 HydrophobicContact SD-CD2 3.69Å; S5-L9 WeakPolarHBondContact O-CB 3.44Å; S5-L9 PolarHBondContact O-N 2.82Å; F6-L9 PolarHBondContact O-N 3.42Å; N7-L9 VanDerWaalsContact C-N 3.28Å; N7-L9 PolarHBondContact O-N 3.24Å; L9-E11 VanDerWaalsContact C-N 3.29Å; L9-E11 PolarHBondContact O-N 2.9Å; L9-I12 PolarHBondContact O-N 2.93Å; L9-C13 WeakPolarHBondContact O-CB 3.32Å; L9-C13 PolarHBondContact O-N 3.13Å; L9-C13 PolarHBondContact O-SG 3.49Å; L9-Y20 HydrophobicContact CD2-CE2 3.51Å; L9-Y20 HydrophobicContact CG-CD2 4.46Å; L9-Y20 HydrophobicContact CG-CE2 3.77Å; L9-L23 HydrophobicContact CD2-CD1 4.49Å; L9-I44 HydrophobicContact CB-CD1 3.75Å; L9-I44 HydrophobicContact CB-CG2 4.34Å; L9-I44 HydrophobicContact CD1-CG2 4.1Å; L9-N48 WeakPolarHBondContact CD2-ND2 3.43Å; L9-F49 HydrophobicContact CD1-CE2 3.83Å; L9-F49 HydrophobicContact CD1-CZ 3.77Å |
| 10 | H | 81.7 | Confident | 80 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 43% | 0.426 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 173.3 | -170.6 | 71 | 0 | 0 | 0 | 110.9 | F6 N7 C13 T14 | F6-H10 WeakPolarHBondContact O-CB 3.35Å; F6-H10 PolarHBondContact O-N 3.06Å; N7-H10 PolarHBondContact O-N 3.46Å; H10-C13 WeakPolarHBondContact O-CB 3.35Å; H10-C13 PolarHBondContact O-N 2.84Å; H10-T14 WeakPolarHBondContact O-CG2 3.36Å; H10-T14 PolarHBondContact O-N 2.87Å; H10-T14 PolarHBondContact O-OG1 2.87Å; H10-T14 VanDerWaalsContact O-OG1 3.13Å |
| 11 | E | 84 | Confident | 79.6 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.2 | -168.6 | 174 | -176.3 | 0 | 0 | 112.6 | N7 I8 L9 C13 T14 M15 F40 | N7-E11 WeakPolarHBondContact O-CB 3.27Å; N7-E11 PolarHBondContact O-N 3.34Å; I8-E11 PolarHBondContact O-N 3.25Å; L9-E11 VanDerWaalsContact C-N 3.29Å; L9-E11 PolarHBondContact O-N 2.9Å; E11-C13 PolarHBondContact O-N 3.42Å; E11-T14 WeakPolarHBondContact CA-OG1 3.43Å; E11-T14 PolarHBondContact O-N 3.33Å; E11-T14 PolarHBondContact O-OG1 3.38Å; E11-M15 HydrophobicContact CG-CG 4.49Å; E11-M15 HydrophobicContact CG-SD 4.29Å; E11-M15 WeakPolarHBondContact O-CB 3.36Å; E11-M15 WeakPolarHBondContact O-CG 3.45Å; E11-M15 PolarHBondContact O-N 3.19Å; E11-F40 HydrophobicContact CB-CZ 4.37Å; E11-F40 HydrophobicContact CG-CZ 4.13Å; E11-F40 WeakPolarHBondContact OE2-CE1 3.43Å |
| 12 | I | 85 | Confident | 79.7 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 172.9 | -70.8 | 173.1 | 0 | 0 | 0 | 110.2 | I8 L9 N16 L33 I35 F40 I44 F49 | I8-I12 HydrophobicContact CG2-CD1 4.21Å; I8-I12 WeakPolarHBondContact O-CG1 3.21Å; I8-I12 PolarHBondContact O-N 2.85Å; L9-I12 PolarHBondContact O-N 2.93Å; I12-N16 WeakPolarHBondContact O-CB 3.13Å; I12-N16 PolarHBondContact O-N 2.91Å; I12-N16 PolarHBondContact O-ND2 3.12Å; I12-L33 HydrophobicContact CG2-CD1 3.85Å; I12-L33 HydrophobicContact CG2-CD2 4.21Å; I12-L33 HydrophobicContact CG2-CG 4.38Å; I12-I35 HydrophobicContact CD1-CD1 3.87Å; I12-I35 HydrophobicContact CD1-CG1 4.43Å; I12-I35 HydrophobicContact CG1-CD1 4.36Å; I12-I35 HydrophobicContact CG1-CG1 4.39Å; I12-I35 HydrophobicContact CG2-CD1 4.4Å; I12-I35 HydrophobicContact CG2-CG1 4.31Å; I12-F40 HydrophobicContact CD1-CE2 4.35Å; I12-F40 HydrophobicContact CG1-CE2 3.86Å; I12-F40 HydrophobicContact CG1-CZ 4.4Å; I12-I44 HydrophobicContact CD1-CD1 3.57Å; I12-F49 HydrophobicContact CG2-CZ 4.22Å |
| 13 | C | 83.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 178.8 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | L9 H10 E11 M15 N16 G17 I18 | L9-C13 WeakPolarHBondContact O-CB 3.32Å; L9-C13 PolarHBondContact O-N 3.13Å; L9-C13 PolarHBondContact O-SG 3.49Å; H10-C13 WeakPolarHBondContact O-CB 3.35Å; H10-C13 PolarHBondContact O-N 2.84Å; E11-C13 PolarHBondContact O-N 3.42Å; C13-M15 PolarHBondContact O-N 3.29Å; C13-N16 CarbonylContact O-C 3.17Å; C13-N16 PolarHBondContact O-N 3.24Å; C13-N16 VanDerWaalsContact O-N 3.13Å; C13-G17 PolarHBondContact O-N 3.27Å; C13-I18 HydrophobicContact CB-CB 3.73Å; C13-I18 HydrophobicContact CB-CG2 3.88Å; C13-I18 WeakPolarHBondContact CB-O 3.06Å; C13-I18 VanDerWaalsContact O-CB 3.31Å; C13-I18 WeakPolarHBondContact O-CB 3.15Å; C13-I18 PolarHBondContact O-N 3.43Å |
| 14 | T | 82.1 | Confident | 78.2 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 179.8 | 53 | 0 | 0 | 0 | 0 | 112 | H10 E11 N16 G17 | H10-T14 WeakPolarHBondContact O-CG2 3.36Å; H10-T14 PolarHBondContact O-N 2.87Å; H10-T14 PolarHBondContact O-OG1 2.87Å; H10-T14 VanDerWaalsContact O-OG1 3.13Å; E11-T14 WeakPolarHBondContact CA-OG1 3.43Å; E11-T14 PolarHBondContact O-N 3.33Å; E11-T14 PolarHBondContact O-OG1 3.38Å; T14-N16 PolarHBondContact O-N 3.12Å; T14-G17 PolarHBondContact O-N 3.34Å; T14-G17 VanDerWaalsContact O-N 3.16Å |
| 15 | M | 82.7 | Confident | 77.3 | Confident | 94 Ų | 94 | 60.2 Ų | 60.2 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -30.2 | 175 | -74.5 | -178.6 | 76.5 | 0 | 0 | 113 | E11 C13 | E11-M15 HydrophobicContact CG-CG 4.49Å; E11-M15 HydrophobicContact CG-SD 4.29Å; E11-M15 WeakPolarHBondContact O-CB 3.36Å; E11-M15 WeakPolarHBondContact O-CG 3.45Å; E11-M15 PolarHBondContact O-N 3.19Å; C13-M15 PolarHBondContact O-N 3.29Å |
| 16 | N | 86.1 | Confident | 76.2 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 11.2 | -179.1 | -72.4 | -88.4 | 0 | 0 | 0 | 113.3 | I12 C13 T14 I18 L33 Y34 | I12-N16 WeakPolarHBondContact O-CB 3.13Å; I12-N16 PolarHBondContact O-N 2.91Å; I12-N16 PolarHBondContact O-ND2 3.12Å; C13-N16 CarbonylContact O-C 3.17Å; C13-N16 PolarHBondContact O-N 3.24Å; C13-N16 VanDerWaalsContact O-N 3.13Å; T14-N16 PolarHBondContact O-N 3.12Å; N16-I18 HydrophobicContact CB-CD1 3.7Å; N16-I18 HydrophobicContact CB-CG1 3.59Å; N16-I18 PolarHBondContact O-N 3.07Å; N16-L33 HydrophobicContact CB-CD1 4.01Å; N16-Y34 PolarHBondContact ND2-O 2.96Å; N16-Y34 WeakPolarHBondContact OD1-CB 3.4Å; N16-Y34 PolarHBondContact OD1-N 3.47Å; N16-Y34 PolarHBondContact OD1-O 3.46Å |
| 17 | G | 83 | Confident | 74.9 | Confident | 70 Ų | 70 | 69.4 Ų | 69.4 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 24.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C13 T14 | C13-G17 PolarHBondContact O-N 3.27Å; T14-G17 PolarHBondContact O-N 3.34Å; T14-G17 VanDerWaalsContact O-N 3.16Å |
| 18 | I | 81 | Confident | 73.6 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | trans | -89.1 | 118.8 | -176.6 | -52.6 | -162.7 | 0 | 0 | 0 | 108.7 | C13 N16 Y20 L23 F28 N30 L33 F49 | C13-I18 HydrophobicContact CB-CB 3.73Å; C13-I18 HydrophobicContact CB-CG2 3.88Å; C13-I18 WeakPolarHBondContact CB-O 3.06Å; C13-I18 VanDerWaalsContact O-CB 3.31Å; C13-I18 WeakPolarHBondContact O-CB 3.15Å; C13-I18 PolarHBondContact O-N 3.43Å; N16-I18 HydrophobicContact CB-CD1 3.7Å; N16-I18 HydrophobicContact CB-CG1 3.59Å; N16-I18 PolarHBondContact O-N 3.07Å; I18-Y20 PolarHBondContact O-N 3.13Å; I18-L23 HydrophobicContact CG2-CD2 3.71Å; I18-L23 HydrophobicContact CG2-CG 4.19Å; I18-F28 HydrophobicContact CB-CE1 4.46Å; I18-F28 HydrophobicContact CB-CZ 4.11Å; I18-F28 HydrophobicContact CD1-CE1 4.49Å; I18-F28 HydrophobicContact CG2-CE1 3.56Å; I18-F28 HydrophobicContact CG2-CZ 3.34Å; I18-N30 WeakPolarHBondContact CD1-ND2 3.06Å; I18-N30 VanDerWaalsContact CG1-ND2 3.26Å; I18-N30 WeakPolarHBondContact CG1-ND2 3.28Å; I18-L33 HydrophobicContact CD1-CD1 3.72Å; I18-F49 HydrophobicContact CD1-CE1 3.81Å | ||
| 19 | Q | 76 | Confident | 72.4 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | trans | -73.7 | 121.8 | 165.5 | -73 | -174.2 | -19.7 | 0 | 0 | 109.4 | D21 N22 | Q19-D21 PolarHBondContact O-N 2.9Å; Q19-N22 PolarHBondContact O-N 2.9Å; Q19-N22 PolarHBondContact OE1-ND2 2.97Å | ||
| 20 | Y | 72.3 | Confident | 71.1 | Confident | 71 Ų | 71 | 75.7 Ų | 75.7 | 28% | 0.278 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -54 | -37.5 | -174.8 | -169.2 | -89.6 | 0 | 0 | 0 | 113 | F6 L9 I18 N22 L23 | F6-Y20 HydrophobicContact CD2-CE2 4.4Å; F6-Y20 WeakPolarHBondContact CD2-OH 3.26Å; F6-Y20 AromaticContact CE2-CE1 3.92Å; F6-Y20 HydrophobicContact CE2-CE1 3.92Å; F6-Y20 AromaticContact CE2-CE2 3.97Å; F6-Y20 HydrophobicContact CE2-CE2 3.97Å; F6-Y20 AromaticContact CE2-CZ 3.46Å; F6-Y20 VanDerWaalsContact CE2-CZ 3.46Å; F6-Y20 VanDerWaalsContact CE2-OH 3.27Å; F6-Y20 WeakPolarHBondContact CE2-OH 3.48Å; L9-Y20 HydrophobicContact CD2-CE2 3.51Å; L9-Y20 HydrophobicContact CG-CD2 4.46Å; L9-Y20 HydrophobicContact CG-CE2 3.77Å; I18-Y20 PolarHBondContact O-N 3.13Å; Y20-N22 PolarHBondContact O-N 2.97Å; Y20-N22 VanDerWaalsContact O-N 3.12Å; Y20-L23 HydrophobicContact CD2-CD1 3.89Å; Y20-L23 HydrophobicContact CE2-CD1 4.08Å; Y20-L23 HydrophobicContact CG-CD1 4.2Å; Y20-L23 WeakPolarHBondContact O-CD1 3.45Å; Y20-L23 WeakPolarHBondContact O-CG 3.39Å; Y20-L23 PolarHBondContact O-N 2.86Å |
| 21 | D | 71.4 | Confident | 70.8 | Confident | 141 Ų | 141 | 75.9 Ų | 75.9 | 75% | 0.754 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -64.6 | -17.1 | -178 | -61.9 | -24.9 | 0 | 0 | 0 | 113.9 | Q19 | Q19-D21 PolarHBondContact O-N 2.9Š|
| 22 | N | 68.7 | Low | 70.9 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 32% | 0.316 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -103.1 | -3.8 | -172.1 | -65.4 | -23.2 | 0 | 0 | 0 | 113.8 | Q19 Y20 T24 T25 F28 | Q19-N22 PolarHBondContact O-N 2.9Å; Q19-N22 PolarHBondContact OE1-ND2 2.97Å; Y20-N22 PolarHBondContact O-N 2.97Å; Y20-N22 VanDerWaalsContact O-N 3.12Å; N22-T24 PolarHBondContact O-N 3.13Å; N22-T25 PolarHBondContact O-N 2.98Å; N22-T25 VanDerWaalsContact O-N 3.13Å; N22-T25 PolarHBondContact O-OG1 2.8Å; N22-F28 HydrophobicContact CB-CD2 3.2Å; N22-F28 HydrophobicContact CB-CE2 3.08Å; N22-F28 HydrophobicContact CB-CG 4.3Å; N22-F28 HydrophobicContact CB-CZ 4.1Å; N22-F28 WeakPolarHBondContact O-CB 3.46Å; N22-F28 WeakPolarHBondContact O-CD2 3.33Å; N22-F28 WeakPolarHBondContact O-CG 3.33Å |
| 23 | L | 66.2 | Low | 71.1 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 7% | 0.068 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -28.6 | -174 | -80.1 | 166.3 | 0 | 0 | 0 | 115.1 | L9 I18 Y20 F28 F49 | L9-L23 HydrophobicContact CD2-CD1 4.49Å; I18-L23 HydrophobicContact CG2-CD2 3.71Å; I18-L23 HydrophobicContact CG2-CG 4.19Å; Y20-L23 HydrophobicContact CD2-CD1 3.89Å; Y20-L23 HydrophobicContact CE2-CD1 4.08Å; Y20-L23 HydrophobicContact CG-CD1 4.2Å; Y20-L23 WeakPolarHBondContact O-CD1 3.45Å; Y20-L23 WeakPolarHBondContact O-CG 3.39Å; Y20-L23 PolarHBondContact O-N 2.86Å; L23-F28 HydrophobicContact CD2-CE1 4.47Å; L23-F49 HydrophobicContact CD2-CD1 3.71Å; L23-F49 HydrophobicContact CD2-CE1 3.18Å; L23-F49 HydrophobicContact CD2-CZ 3.79Å |
| 24 | T | 57.3 | Low | 71.3 | Confident | 115 Ų | 115 | 79.2 Ų | 79.2 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 3.9 | -174 | 53.5 | 0 | 0 | 0 | 0 | 114.7 | N22 | N22-T24 PolarHBondContact O-N 3.13Š|
| 25 | T | 58.9 | Low | 71.6 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 36% | 0.362 | 39% | 0.393 | S | S | . | . | trans | -88.4 | 138.8 | -179.3 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | N22 N27 F28 | N22-T25 PolarHBondContact O-N 2.98Å; N22-T25 VanDerWaalsContact O-N 3.13Å; N22-T25 PolarHBondContact O-OG1 2.8Å; T25-N27 PolarHBondContact O-N 2.75Å; T25-N27 VanDerWaalsContact O-N 3.13Å; T25-F28 WeakPolarHBondContact O-CB 3.21Å; T25-F28 PolarHBondContact O-N 2.99Å | ||
| 26 | E | 54.1 | Low | 71.8 | Confident | 159 Ų | 159 | 73.7 Ų | 73.7 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.7 | 174.3 | -80.8 | -174.5 | 161.1 | 0 | 0 | 113 | F28 Y51 | E26-F28 PolarHBondContact O-N 3.28Å; E26-Y51 HydrophobicContact CG-CE2 4.48Å; E26-Y51 VanDerWaalsContact CG-OH 3.32Å; E26-Y51 WeakPolarHBondContact CG-OH 3.32Å |
| 27 | N | 52 | Low | 71.6 | Confident | 135 Ų | 135 | 79.1 Ų | 79.1 | 72% | 0.722 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -0.5 | 172.9 | -73.7 | -12.4 | 0 | 0 | 0 | 113.3 | T25 H29 | T25-N27 PolarHBondContact O-N 2.75Å; T25-N27 VanDerWaalsContact O-N 3.13Å; N27-H29 PolarHBondContact O-N 2.84Å; N27-H29 VanDerWaalsContact O-N 3.07Å |
| 28 | F | 53.8 | Low | 71.3 | Confident | 34 Ų | 34 | 77.4 Ų | 77.4 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | trans | -81.3 | 87.9 | 179.9 | -146.1 | -111.7 | 0 | 0 | 0 | 111.2 | I18 N22 L23 T25 E26 N30 | I18-F28 HydrophobicContact CB-CE1 4.46Å; I18-F28 HydrophobicContact CB-CZ 4.11Å; I18-F28 HydrophobicContact CD1-CE1 4.49Å; I18-F28 HydrophobicContact CG2-CE1 3.56Å; I18-F28 HydrophobicContact CG2-CZ 3.34Å; N22-F28 HydrophobicContact CB-CD2 3.2Å; N22-F28 HydrophobicContact CB-CE2 3.08Å; N22-F28 HydrophobicContact CB-CG 4.3Å; N22-F28 HydrophobicContact CB-CZ 4.1Å; N22-F28 WeakPolarHBondContact O-CB 3.46Å; N22-F28 WeakPolarHBondContact O-CD2 3.33Å; N22-F28 WeakPolarHBondContact O-CG 3.33Å; L23-F28 HydrophobicContact CD2-CE1 4.47Å; T25-F28 WeakPolarHBondContact O-CB 3.21Å; T25-F28 PolarHBondContact O-N 2.99Å; E26-F28 PolarHBondContact O-N 3.28Å; F28-N30 HydrophobicContact CD1-CB 4.21Å; F28-N30 HydrophobicContact CE1-CB 4.05Å; F28-N30 PolarHBondContact O-N 3.38Å | ||
| 29 | H | 57.3 | Low | 70.8 | Confident | 142 Ų | 142 | 78.7 Ų | 78.7 | 66% | 0.657 | 40% | 0.4 | S | S | * | . | trans | -70.3 | 17.9 | -176.2 | -68.8 | -51.8 | 0 | 0 | 0 | 116.1 | N27 H31 | N27-H29 PolarHBondContact O-N 2.84Å; N27-H29 VanDerWaalsContact O-N 3.07Å; H29-H31 VanDerWaalsContact C-N 3.28Å; H29-H31 PolarHBondContact O-N 3Å; H29-H31 PolarHBondContact O-ND1 3.4Å | ||
| 30 | N | 56.5 | Low | 70.6 | Confident | 62 Ų | 62 | 73 Ų | 73 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | trans | -81.6 | 81.6 | 177.3 | -82.6 | 8.4 | 0 | 0 | 0 | 111.4 | I18 F28 I32 | I18-N30 WeakPolarHBondContact CD1-ND2 3.06Å; I18-N30 VanDerWaalsContact CG1-ND2 3.26Å; I18-N30 WeakPolarHBondContact CG1-ND2 3.28Å; F28-N30 HydrophobicContact CD1-CB 4.21Å; F28-N30 HydrophobicContact CE1-CB 4.05Å; F28-N30 PolarHBondContact O-N 3.38Å; N30-I32 PolarHBondContact O-N 3.18Å | ||
| 31 | H | 74.7 | Confident | 70.3 | Confident | 95 Ų | 95 | 78.1 Ų | 78.1 | 44% | 0.44 | 40% | 0.397 | S | S | . | . | trans | -67.3 | -16.2 | 171.6 | -70.7 | 82.9 | 0 | 0 | 0 | 112.3 | H29 T53 E54 | H29-H31 VanDerWaalsContact C-N 3.28Å; H29-H31 PolarHBondContact O-N 3Å; H29-H31 PolarHBondContact O-ND1 3.4Å; H31-T53 HydrophobicContact CB-CG2 4.5Å; H31-T53 WeakPolarHBondContact CB-OG1 3.28Å; H31-T53 CarbonylContact O-C 3.45Å; H31-T53 WeakPolarHBondContact O-CA 3.26Å; H31-T53 PolarHBondContact O-N 3.03Å; H31-T53 PolarHBondContact O-OG1 3.1Å; H31-E54 PolarHBondContact O-N 2.94Å | ||
| 32 | I | 86.5 | Confident | 70.1 | Confident | 57 Ų | 57 | 75 Ų | 75 | 29% | 0.292 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.9 | -170 | -48.9 | -177 | 0 | 0 | 0 | 110 | N30 Y34 E54 | N30-I32 PolarHBondContact O-N 3.18Å; I32-Y34 HydrophobicContact CB-CE2 4.34Å; I32-Y34 HydrophobicContact CG2-CD2 4.02Å; I32-Y34 HydrophobicContact CG2-CE1 4.29Å; I32-Y34 HydrophobicContact CG2-CE2 3.33Å; I32-Y34 VanDerWaalsContact CG2-CZ 3.48Å; I32-E54 CarbonylContact C-O 3.59Å; I32-E54 VanDerWaalsContact CA-O 3.25Å; I32-E54 WeakPolarHBondContact CA-O 3.11Å; I32-E54 HydrophobicContact CB-CB 4.26Å; I32-E54 HydrophobicContact CD1-CG 4.45Å; I32-E54 HydrophobicContact CG1-CB 3.96Å; I32-E54 HydrophobicContact CG1-CG 4.06Å; I32-E54 HydrophobicContact CG2-CB 3.97Å |
| 33 | L | 88.4 | Confident | 70.1 | Confident | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.7 | 174 | -173.2 | 73.8 | 0 | 0 | 0 | 110.8 | I12 N16 I18 I35 F49 L52 E54 L55 I56 | I12-L33 HydrophobicContact CG2-CD1 3.85Å; I12-L33 HydrophobicContact CG2-CD2 4.21Å; I12-L33 HydrophobicContact CG2-CG 4.38Å; N16-L33 HydrophobicContact CB-CD1 4.01Å; I18-L33 HydrophobicContact CD1-CD1 3.72Å; L33-I35 HydrophobicContact CD2-CD1 4.15Å; L33-I35 HydrophobicContact CD2-CG1 4.49Å; L33-I35 HydrophobicContact CG-CG1 4.43Å; L33-F49 HydrophobicContact CD1-CE1 4.19Å; L33-F49 HydrophobicContact CD1-CZ 4.38Å; L33-F49 HydrophobicContact CD2-CD2 4.13Å; L33-F49 HydrophobicContact CD2-CE1 4.48Å; L33-F49 HydrophobicContact CD2-CE2 4.08Å; L33-F49 HydrophobicContact CD2-CG 4.37Å; L33-F49 HydrophobicContact CD2-CZ 4.26Å; L33-L52 HydrophobicContact CB-CD1 4.35Å; L33-L52 HydrophobicContact CB-CD2 3.69Å; L33-L52 HydrophobicContact CD2-CD1 4.29Å; L33-E54 PolarHBondContact N-O 2.82Å; L33-L55 HydrophobicContact CB-CD1 3.99Å; L33-L55 HydrophobicContact CD2-CD1 3.87Å; L33-L55 HydrophobicContact CG-CD1 4.23Å; L33-I56 PolarHBondContact O-N 3.45Å |
| 34 | Y | 88.3 | Confident | 70.3 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 40% | 0.4 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.3 | 178.7 | -60.5 | -88.1 | 0 | 0 | 0 | 111.2 | N16 I32 I56 | N16-Y34 PolarHBondContact ND2-O 2.96Å; N16-Y34 WeakPolarHBondContact OD1-CB 3.4Å; N16-Y34 PolarHBondContact OD1-N 3.47Å; N16-Y34 PolarHBondContact OD1-O 3.46Å; I32-Y34 HydrophobicContact CB-CE2 4.34Å; I32-Y34 HydrophobicContact CG2-CD2 4.02Å; I32-Y34 HydrophobicContact CG2-CE1 4.29Å; I32-Y34 HydrophobicContact CG2-CE2 3.33Å; I32-Y34 VanDerWaalsContact CG2-CZ 3.48Å; Y34-I56 CarbonylContact C-O 3.32Å; Y34-I56 WeakPolarHBondContact CA-O 3.32Å; Y34-I56 HydrophobicContact CD1-CB 3.89Å; Y34-I56 HydrophobicContact CD1-CD1 3.82Å; Y34-I56 HydrophobicContact CD1-CG1 4.41Å; Y34-I56 HydrophobicContact CD1-CG2 4.14Å; Y34-I56 HydrophobicContact CE1-CB 4.34Å; Y34-I56 HydrophobicContact CE1-CD1 3.33Å; Y34-I56 HydrophobicContact CE1-CG1 4.37Å |
| 35 | I | 87.6 | Confident | 71 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 97.8 | 175.5 | -56.5 | 173 | 0 | 0 | 0 | 107.3 | I12 L33 F40 W43 I56 I57 I58 Q60 | I12-I35 HydrophobicContact CD1-CD1 3.87Å; I12-I35 HydrophobicContact CD1-CG1 4.43Å; I12-I35 HydrophobicContact CG1-CD1 4.36Å; I12-I35 HydrophobicContact CG1-CG1 4.39Å; I12-I35 HydrophobicContact CG2-CD1 4.4Å; I12-I35 HydrophobicContact CG2-CG1 4.31Å; L33-I35 HydrophobicContact CD2-CD1 4.15Å; L33-I35 HydrophobicContact CD2-CG1 4.49Å; L33-I35 HydrophobicContact CG-CG1 4.43Å; I35-F40 HydrophobicContact CG2-CD2 4.02Å; I35-F40 HydrophobicContact CG2-CE2 4.09Å; I35-W43 HydrophobicContact CD1-CH2 3.77Å; I35-W43 HydrophobicContact CD1-CZ3 3.99Å; I35-I56 PolarHBondContact N-O 3.47Å; I35-I57 HydrophobicContact CB-CG1 4.33Å; I35-I57 HydrophobicContact CB-CG2 4.4Å; I35-I57 HydrophobicContact CD1-CD1 4.35Å; I35-I57 HydrophobicContact CD1-CG1 4.39Å; I35-I57 VanDerWaalsContact O-CA 3.32Å; I35-I57 WeakPolarHBondContact O-CA 3.48Å; I35-I58 PolarHBondContact O-N 2.85Å; I35-Q60 HydrophobicContact CG2-CG 4.15Å |
| 36 | L | 86.9 | Confident | 72.1 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.288 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.7 | -166.7 | -53.3 | 176.3 | 0 | 0 | 0 | 109.8 | S38 I56 I58 | L36-S38 PolarHBondContact O-N 3.05Å; L36-I56 HydrophobicContact CD2-CG2 4.02Å; L36-I58 HydrophobicContact CD2-CB 3.77Å; L36-I58 HydrophobicContact CD2-CD1 3.8Å; L36-I58 HydrophobicContact CD2-CG1 3.71Å |
| 37 | F | 82.3 | Confident | 73.3 | Confident | 143 Ų | 143 | 64.6 Ų | 64.6 | 63% | 0.627 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 58.6 | 11.4 | 167.3 | -44.2 | -71.4 | 0 | 0 | 0 | 117.7 | I58 S59 Q60 | F37-I58 HydrophobicContact CE1-CG2 4.02Å; F37-I58 HydrophobicContact CZ-CG2 4.12Å; F37-I58 PolarHBondContact N-O 2.57Å; F37-I58 VanDerWaalsContact N-O 3.1Å; F37-S59 WeakPolarHBondContact CD1-OG 3.29Å; F37-S59 VanDerWaalsContact CE1-OG 3.28Å; F37-S59 WeakPolarHBondContact CE1-OG 3.32Å; F37-Q60 VanDerWaalsContact N-NE2 3.18Å |
| 38 | S | 77.8 | Confident | 74.5 | Confident | 33 Ų | 33 | 60.1 Ų | 60.1 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | trans | -75.9 | -13.3 | 178.8 | 35.7 | 0 | 0 | 0 | 0 | 115.5 | L36 F40 Q60 | L36-S38 PolarHBondContact O-N 3.05Å; S38-F40 VanDerWaalsContact C-N 3.31Å; S38-F40 VanDerWaalsContact CB-CZ 3.5Å; S38-F40 PolarHBondContact O-N 2.79Å; S38-F40 VanDerWaalsContact OG-CD2 3.28Å; S38-F40 WeakPolarHBondContact OG-CD2 3.36Å; S38-F40 WeakPolarHBondContact OG-CE2 3.02Å; S38-Q60 VanDerWaalsContact N-NE2 3.11Å; S38-Q60 PolarHBondContact OG-NE2 3.23Å; S38-Q60 PolarHBondContact OG-OE1 2.69Å | ||
| 39 | G | 70 | Confident | 76 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 38% | 0.381 | 29% | 0.288 | S | S | . | . | trans | 65.3 | 29.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | K41 Q60 | G39-K41 PolarHBondContact O-N 3.16Å; G39-K41 VanDerWaalsContact O-N 3.16Å; G39-Q60 VanDerWaalsContact N-OE1 3.14Å | ||
| 40 | F | 71.4 | Confident | 77.2 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -66.6 | 115.5 | -178.3 | -62.4 | -49.8 | 0 | 0 | 0 | 110.9 | I8 E11 I12 I35 S38 | I8-F40 HydrophobicContact CB-CD1 4.46Å; I8-F40 HydrophobicContact CB-CE1 4.3Å; I8-F40 HydrophobicContact CD1-CD1 4.39Å; I8-F40 HydrophobicContact CG1-CD1 4.05Å; I8-F40 HydrophobicContact CG1-CE1 4.12Å; I8-F40 HydrophobicContact CG2-CD1 3.63Å; I8-F40 HydrophobicContact CG2-CD2 3.99Å; I8-F40 HydrophobicContact CG2-CE1 3.63Å; I8-F40 HydrophobicContact CG2-CE2 3.97Å; I8-F40 HydrophobicContact CG2-CG 3.81Å; I8-F40 HydrophobicContact CG2-CZ 3.79Å; E11-F40 HydrophobicContact CB-CZ 4.37Å; E11-F40 HydrophobicContact CG-CZ 4.13Å; E11-F40 WeakPolarHBondContact OE2-CE1 3.43Å; I12-F40 HydrophobicContact CD1-CE2 4.35Å; I12-F40 HydrophobicContact CG1-CE2 3.86Å; I12-F40 HydrophobicContact CG1-CZ 4.4Å; I35-F40 HydrophobicContact CG2-CD2 4.02Å; I35-F40 HydrophobicContact CG2-CE2 4.09Å; S38-F40 VanDerWaalsContact C-N 3.31Å; S38-F40 VanDerWaalsContact CB-CZ 3.5Å; S38-F40 PolarHBondContact O-N 2.79Å; S38-F40 VanDerWaalsContact OG-CD2 3.28Å; S38-F40 WeakPolarHBondContact OG-CD2 3.36Å; S38-F40 WeakPolarHBondContact OG-CE2 3.02Å | ||
| 41 | K | 66.8 | Low | 78.5 | Confident | 178 Ų | 178 | 56.5 Ų | 56.5 | 77% | 0.774 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.7 | -23.6 | 173.2 | -69.1 | -175.9 | 178.8 | 179.2 | 0 | 113.2 | G39 D61 | G39-K41 PolarHBondContact O-N 3.16Å; G39-K41 VanDerWaalsContact O-N 3.16Å; K41-D61 HydrophobicContact CG-CB 4.31Å |
| 42 | K | 67.3 | Low | 79.2 | Confident | 76 Ų | 76 | 52 Ų | 52 | 33% | 0.33 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -119.5 | 120.1 | -174.6 | -160.1 | 177.1 | 177.6 | -173.1 | 0 | 109.2 | D2 E4 I8 | D2-K42 IonicContact OD1-NZ 2.88Å; D2-K42 IonicContact OD2-NZ 3.38Å; D2-K42 PolarHBondContact OD2-NZ 3.3Å; E4-K42 VanDerWaalsContact OE2-CD 3.29Å; E4-K42 WeakPolarHBondContact OE2-CD 3.35Å; E4-K42 IonicContact OE2-NZ 3.71Å; E4-K42 PolarHBondContact OE2-NZ 3.17Å; I8-K42 HydrophobicContact CD1-CB 4.39Å |
| 43 | W | 68.3 | Low | 79.4 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 16% | 0.163 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 142.4 | -174.7 | -177.6 | -108.1 | 0 | 0 | 0 | 112.5 | I35 L46 I57 I62 I65 A66 | I35-W43 HydrophobicContact CD1-CH2 3.77Å; I35-W43 HydrophobicContact CD1-CZ3 3.99Å; W43-L46 HydrophobicContact CZ2-CD1 4.09Å; W43-L46 HydrophobicContact CZ2-CD2 3.91Å; W43-L46 HydrophobicContact CZ2-CG 3.82Å; W43-I57 HydrophobicContact CH2-CD1 3.19Å; W43-I57 HydrophobicContact CH2-CG1 4.44Å; W43-I57 HydrophobicContact CZ2-CD1 4.1Å; W43-I57 HydrophobicContact CZ3-CD1 3.6Å; W43-I62 HydrophobicContact CE3-CD1 4.12Å; W43-I62 HydrophobicContact CE3-CG2 4.07Å; W43-I62 HydrophobicContact CZ3-CD1 4.27Å; W43-I65 HydrophobicContact CZ2-CB 4.48Å; W43-I65 HydrophobicContact CZ2-CD1 4.23Å; W43-I65 HydrophobicContact CZ2-CG1 4.08Å; W43-I65 HydrophobicContact CZ2-CG2 3.78Å; W43-A66 VanDerWaalsContact CD1-N 3.26Å; W43-A66 PolarHBondContact NE1-O 2.82Å |
| 44 | I | 69.6 | Low | 79.7 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -96.7 | 136.3 | 171.6 | -65.5 | 154 | 0 | 0 | 0 | 110.9 | I8 L9 I12 L46 | I8-I44 HydrophobicContact CB-CD1 3.47Å; I8-I44 VanDerWaalsContact CB-CD1 3.47Å; I8-I44 HydrophobicContact CB-CG1 4.16Å; I8-I44 HydrophobicContact CG2-CD1 3.11Å; I8-I44 HydrophobicContact CG2-CG1 3.91Å; L9-I44 HydrophobicContact CB-CD1 3.75Å; L9-I44 HydrophobicContact CB-CG2 4.34Å; L9-I44 HydrophobicContact CD1-CG2 4.1Å; I12-I44 HydrophobicContact CD1-CD1 3.57Å; I44-L46 PolarHBondContact O-N 3.34Å |
| 45 | S | 73.4 | Confident | 79.9 | Confident | 29 Ų | 29 | 48.2 Ų | 48.2 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 125.6 | 177.3 | -167.2 | 0 | 0 | 0 | 0 | 112.7 | Q47 K67 | S45-Q47 PolarHBondContact O-N 3.49Å; S45-Q47 VanDerWaalsContact O-N 3.07Å; S45-K67 WeakPolarHBondContact OG-CD 3.37Å; S45-K67 WeakPolarHBondContact OG-CE 3.4Å; S45-K67 WeakPolarHBondContact OG-CG 3.25Å; S45-K67 PolarHBondContact OG-NZ 3.07Å |
| 46 | L | 80.9 | Confident | 80.1 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -68.9 | -0.4 | 178.6 | -71.7 | 172.5 | 0 | 0 | 0 | 115 | W43 I44 N48 F49 L52 L55 I65 L68 | W43-L46 HydrophobicContact CZ2-CD1 4.09Å; W43-L46 HydrophobicContact CZ2-CD2 3.91Å; W43-L46 HydrophobicContact CZ2-CG 3.82Å; I44-L46 PolarHBondContact O-N 3.34Å; L46-N48 PolarHBondContact O-N 3.16Å; L46-F49 HydrophobicContact CD2-CD2 4.32Å; L46-F49 PolarHBondContact O-N 2.84Å; L46-L52 HydrophobicContact CD2-CD1 4.32Å; L46-L55 HydrophobicContact CD1-CD2 3.73Å; L46-L55 HydrophobicContact CD2-CD2 4.14Å; L46-I65 HydrophobicContact CD1-CG2 3.5Å; L46-I65 HydrophobicContact CG-CG2 4.3Å; L46-L68 HydrophobicContact CD1-CB 4.33Å; L46-L68 HydrophobicContact CD1-CD1 3.37Å; L46-L68 HydrophobicContact CD1-CG 4.44Å |
| 47 | Q | 79.2 | Confident | 80.3 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 47% | 0.467 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -55.3 | -21.9 | 175.4 | -84.1 | -179.8 | -21.5 | 0 | 0 | 113.9 | S45 F49 K67 T70 | S45-Q47 PolarHBondContact O-N 3.49Å; S45-Q47 VanDerWaalsContact O-N 3.07Å; Q47-F49 VanDerWaalsContact C-N 3.26Å; Q47-F49 PolarHBondContact O-N 2.94Å; Q47-K67 VanDerWaalsContact CD-NZ 3.29Å; Q47-K67 HydrophobicContact CG-CB 4.37Å; Q47-K67 HydrophobicContact CG-CD 3.79Å; Q47-T70 HydrophobicContact CG-CG2 3.45Å; Q47-T70 VanDerWaalsContact CG-CG2 3.45Å; Q47-T70 PolarHBondContact N-OG1 2.83Å |
| 48 | N | 78.6 | Confident | 80.6 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -79.3 | -6.5 | 178.5 | -56.9 | -26.7 | 0 | 0 | 0 | 113.3 | L9 L46 P50 | L9-N48 WeakPolarHBondContact CD2-ND2 3.43Å; L46-N48 PolarHBondContact O-N 3.16Å; N48-P50 VanDerWaalsContact C-CD 3.49Å |
| 49 | F | 84 | Confident | 81.1 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | trans | -132.3 | 53.9 | -175.4 | -54.4 | -79.7 | 0 | 0 | 0 | 112.6 | L9 I12 I18 L23 L33 L46 Q47 Y51 L52 C71 | L9-F49 HydrophobicContact CD1-CE2 3.83Å; L9-F49 HydrophobicContact CD1-CZ 3.77Å; I12-F49 HydrophobicContact CG2-CZ 4.22Å; I18-F49 HydrophobicContact CD1-CE1 3.81Å; L23-F49 HydrophobicContact CD2-CD1 3.71Å; L23-F49 HydrophobicContact CD2-CE1 3.18Å; L23-F49 HydrophobicContact CD2-CZ 3.79Å; L33-F49 HydrophobicContact CD1-CE1 4.19Å; L33-F49 HydrophobicContact CD1-CZ 4.38Å; L33-F49 HydrophobicContact CD2-CD2 4.13Å; L33-F49 HydrophobicContact CD2-CE1 4.48Å; L33-F49 HydrophobicContact CD2-CE2 4.08Å; L33-F49 HydrophobicContact CD2-CG 4.37Å; L33-F49 HydrophobicContact CD2-CZ 4.26Å; L46-F49 HydrophobicContact CD2-CD2 4.32Å; L46-F49 PolarHBondContact O-N 2.84Å; Q47-F49 VanDerWaalsContact C-N 3.26Å; Q47-F49 PolarHBondContact O-N 2.94Å; F49-Y51 VanDerWaalsContact C-N 3.25Å; F49-Y51 PolarHBondContact O-N 3.15Å; F49-Y51 VanDerWaalsContact O-N 3.15Å; F49-L52 HydrophobicContact CB-CD1 3.33Å; F49-L52 HydrophobicContact CB-CG 3.96Å; F49-L52 HydrophobicContact CG-CD1 4.13Å; F49-L52 WeakPolarHBondContact O-CB 3.47Å; F49-L52 PolarHBondContact O-N 3.16Å; F49-C71 PolarHBondContact O-SG 2.99Å | ||
| 50 | P | 82.6 | Confident | 81.8 | Confident | 45 Ų | 45 | 38.7 Ų | 38.7 | 29% | 0.292 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.4 | -168.6 | 27 | -35.4 | 0 | 0 | 0 | 114.9 | N48 | N48-P50 VanDerWaalsContact C-CD 3.49Š|
| 51 | Y | 84.7 | Confident | 82.2 | Confident | 98 Ų | 98 | 41.6 Ų | 41.6 | 38% | 0.384 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 8.1 | -177.3 | -58.1 | -76.1 | 0 | 0 | 0 | 114.2 | E26 F49 T53 | E26-Y51 HydrophobicContact CG-CE2 4.48Å; E26-Y51 VanDerWaalsContact CG-OH 3.32Å; E26-Y51 WeakPolarHBondContact CG-OH 3.32Å; F49-Y51 VanDerWaalsContact C-N 3.25Å; F49-Y51 PolarHBondContact O-N 3.15Å; F49-Y51 VanDerWaalsContact O-N 3.15Å; Y51-T53 PolarHBondContact O-N 3.27Å |
| 52 | L | 88.7 | Confident | 83 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -54 | 133.3 | 179.3 | -100.3 | 161.6 | 0 | 0 | 0 | 112.9 | L33 L46 F49 E54 L55 C71 N73 L74 | L33-L52 HydrophobicContact CB-CD1 4.35Å; L33-L52 HydrophobicContact CB-CD2 3.69Å; L33-L52 HydrophobicContact CD2-CD1 4.29Å; L46-L52 HydrophobicContact CD2-CD1 4.32Å; F49-L52 HydrophobicContact CB-CD1 3.33Å; F49-L52 HydrophobicContact CB-CG 3.96Å; F49-L52 HydrophobicContact CG-CD1 4.13Å; F49-L52 WeakPolarHBondContact O-CB 3.47Å; F49-L52 PolarHBondContact O-N 3.16Å; L52-E54 WeakPolarHBondContact CD2-O 3.43Å; L52-L55 HydrophobicContact CD2-CB 4.41Å; L52-C71 HydrophobicContact CB-CB 4.34Å; L52-N73 CarbonylContact O-C 3.53Å; L52-N73 VanDerWaalsContact O-C 3.28Å; L52-L74 HydrophobicContact CB-CD1 4.22Å; L52-L74 PolarHBondContact O-N 3.36Å | ||
| 53 | T | 91 | Very high | 83.6 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 14% | 0.135 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -114.2 | -26.6 | 171.1 | 66 | 0 | 0 | 0 | 0 | 112.9 | H31 Y51 N73 K75 K76 | H31-T53 HydrophobicContact CB-CG2 4.5Å; H31-T53 WeakPolarHBondContact CB-OG1 3.28Å; H31-T53 CarbonylContact O-C 3.45Å; H31-T53 WeakPolarHBondContact O-CA 3.26Å; H31-T53 PolarHBondContact O-N 3.03Å; H31-T53 PolarHBondContact O-OG1 3.1Å; Y51-T53 PolarHBondContact O-N 3.27Å; T53-N73 HydrophobicContact CG2-CB 4.33Å; T53-K75 PolarHBondContact O-N 2.81Å; T53-K76 PolarHBondContact O-N 2.82Å |
| 54 | E | 93.7 | Very high | 84.1 | Confident | 60 Ų | 60 | 37.1 Ų | 37.1 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125.9 | 175.6 | -49.9 | -168.9 | -174.4 | 0 | 0 | 110.4 | H31 I32 L33 L52 K76 | H31-E54 PolarHBondContact O-N 2.94Å; I32-E54 CarbonylContact C-O 3.59Å; I32-E54 VanDerWaalsContact CA-O 3.25Å; I32-E54 WeakPolarHBondContact CA-O 3.11Å; I32-E54 HydrophobicContact CB-CB 4.26Å; I32-E54 HydrophobicContact CD1-CG 4.45Å; I32-E54 HydrophobicContact CG1-CB 3.96Å; I32-E54 HydrophobicContact CG1-CG 4.06Å; I32-E54 HydrophobicContact CG2-CB 3.97Å; L33-E54 PolarHBondContact N-O 2.82Å; L52-E54 WeakPolarHBondContact CD2-O 3.43Å; E54-K76 CarbonylContact C-O 3.55Å; E54-K76 VanDerWaalsContact CA-O 3.3Å; E54-K76 WeakPolarHBondContact CA-O 3.32Å; E54-K76 HydrophobicContact CB-CB 4.1Å; E54-K76 HydrophobicContact CG-CB 3.88Å; E54-K76 HydrophobicContact CG-CD 4.47Å |
| 55 | L | 92.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 122.2 | 177.3 | 175.1 | 61 | 0 | 0 | 0 | 108.6 | L33 L46 L52 I57 L68 L74 K76 L77 W78 | L33-L55 HydrophobicContact CB-CD1 3.99Å; L33-L55 HydrophobicContact CD2-CD1 3.87Å; L33-L55 HydrophobicContact CG-CD1 4.23Å; L46-L55 HydrophobicContact CD1-CD2 3.73Å; L46-L55 HydrophobicContact CD2-CD2 4.14Å; L52-L55 HydrophobicContact CD2-CB 4.41Å; L55-I57 HydrophobicContact CD1-CD1 4.26Å; L55-I57 HydrophobicContact CD1-CG1 4.06Å; L55-I57 HydrophobicContact CD2-CD1 4.25Å; L55-I57 HydrophobicContact CG-CD1 4.22Å; L55-I57 HydrophobicContact CG-CG1 4.09Å; L55-L68 HydrophobicContact CD2-CD1 4.07Å; L55-L74 HydrophobicContact CB-CD1 3.83Å; L55-K76 PolarHBondContact N-O 2.77Å; L55-L77 HydrophobicContact CB-CD1 3.93Å; L55-L77 HydrophobicContact CD2-CD1 3.87Å; L55-L77 HydrophobicContact CG-CD1 3.96Å; L55-L77 CarbonylContact O-C 3.5Å; L55-L77 WeakPolarHBondContact O-CA 3.42Å; L55-W78 PolarHBondContact O-N 3.28Å |
| 56 | I | 92.7 | Very high | 84.5 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 8% | 0.082 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.3 | -177.4 | -63.7 | 166.7 | 0 | 0 | 0 | 109.7 | L33 Y34 I35 L36 I58 W78 | L33-I56 PolarHBondContact O-N 3.45Å; Y34-I56 CarbonylContact C-O 3.32Å; Y34-I56 WeakPolarHBondContact CA-O 3.32Å; Y34-I56 HydrophobicContact CD1-CB 3.89Å; Y34-I56 HydrophobicContact CD1-CD1 3.82Å; Y34-I56 HydrophobicContact CD1-CG1 4.41Å; Y34-I56 HydrophobicContact CD1-CG2 4.14Å; Y34-I56 HydrophobicContact CE1-CB 4.34Å; Y34-I56 HydrophobicContact CE1-CD1 3.33Å; Y34-I56 HydrophobicContact CE1-CG1 4.37Å; I35-I56 PolarHBondContact N-O 3.47Å; L36-I56 HydrophobicContact CD2-CG2 4.02Å; I56-I58 HydrophobicContact CG2-CD1 4.06Å; I56-I58 HydrophobicContact CG2-CG1 4.1Å; I56-W78 HydrophobicContact CB-CB 4.31Å; I56-W78 HydrophobicContact CG1-CB 4.18Å; I56-W78 HydrophobicContact CG1-CG 4Å; I56-W78 HydrophobicContact CG2-CB 4.08Å; I56-W78 HydrophobicContact CG2-CD2 4.49Å; I56-W78 HydrophobicContact CG2-CE3 4.49Å; I56-W78 HydrophobicContact CG2-CG 4.34Å |
| 57 | I | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124 | -179.8 | -49.5 | -173.3 | 0 | 0 | 0 | 108.9 | I35 W43 L55 Q60 I62 I65 W78 L79 C80 | I35-I57 HydrophobicContact CB-CG1 4.33Å; I35-I57 HydrophobicContact CB-CG2 4.4Å; I35-I57 HydrophobicContact CD1-CD1 4.35Å; I35-I57 HydrophobicContact CD1-CG1 4.39Å; I35-I57 VanDerWaalsContact O-CA 3.32Å; I35-I57 WeakPolarHBondContact O-CA 3.48Å; W43-I57 HydrophobicContact CH2-CD1 3.19Å; W43-I57 HydrophobicContact CH2-CG1 4.44Å; W43-I57 HydrophobicContact CZ2-CD1 4.1Å; W43-I57 HydrophobicContact CZ3-CD1 3.6Å; L55-I57 HydrophobicContact CD1-CD1 4.26Å; L55-I57 HydrophobicContact CD1-CG1 4.06Å; L55-I57 HydrophobicContact CD2-CD1 4.25Å; L55-I57 HydrophobicContact CG-CD1 4.22Å; L55-I57 HydrophobicContact CG-CG1 4.09Å; I57-Q60 HydrophobicContact CG2-CB 4.13Å; I57-Q60 HydrophobicContact CG2-CG 3.43Å; I57-Q60 VanDerWaalsContact CG2-CG 3.43Å; I57-I62 HydrophobicContact CG2-CD1 4.25Å; I57-I65 HydrophobicContact CD1-CD1 3.77Å; I57-W78 PolarHBondContact N-O 2.93Å; I57-L79 HydrophobicContact CB-CD2 3.89Å; I57-L79 HydrophobicContact CD1-CD2 3.56Å; I57-L79 HydrophobicContact CG1-CD2 3.88Å; I57-C80 PolarHBondContact O-N 3.35Å |
| 58 | I | 90.3 | Very high | 84.7 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 11% | 0.108 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.6 | -177.1 | -53.9 | -176 | 0 | 0 | 0 | 110.1 | I35 L36 F37 I56 Q60 W78 C80 E81 | I35-I58 PolarHBondContact O-N 2.85Å; L36-I58 HydrophobicContact CD2-CB 3.77Å; L36-I58 HydrophobicContact CD2-CD1 3.8Å; L36-I58 HydrophobicContact CD2-CG1 3.71Å; F37-I58 HydrophobicContact CE1-CG2 4.02Å; F37-I58 HydrophobicContact CZ-CG2 4.12Å; F37-I58 PolarHBondContact N-O 2.57Å; F37-I58 VanDerWaalsContact N-O 3.1Å; I56-I58 HydrophobicContact CG2-CD1 4.06Å; I56-I58 HydrophobicContact CG2-CG1 4.1Å; I58-Q60 PolarHBondContact O-NE2 2.96Å; I58-W78 HydrophobicContact CD1-CE3 4.17Å; I58-C80 WeakPolarHBondContact CA-O 3.3Å; I58-C80 HydrophobicContact CG1-CB 4.44Å; I58-E81 HydrophobicContact CG2-CB 4.49Å; I58-E81 HydrophobicContact CG2-CG 4.41Å |
| 59 | S | 87.8 | Confident | 84.9 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 52.5 | 55.6 | 175.4 | -38.1 | 0 | 0 | 0 | 0 | 113.7 | F37 C80 E81 | F37-S59 WeakPolarHBondContact CD1-OG 3.29Å; F37-S59 VanDerWaalsContact CE1-OG 3.28Å; F37-S59 WeakPolarHBondContact CE1-OG 3.32Å; S59-C80 PolarHBondContact N-O 3Å; S59-E81 WeakPolarHBondContact CA-O 3.11Å; S59-E81 PolarHBondContact OG-OE2 3.15Å |
| 60 | Q | 84.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -114.8 | 139.1 | 174.8 | -56.4 | -59.2 | -51 | 0 | 0 | 110.7 | I35 F37 S38 G39 I57 I58 I62 C82 | I35-Q60 HydrophobicContact CG2-CG 4.15Å; F37-Q60 VanDerWaalsContact N-NE2 3.18Å; S38-Q60 VanDerWaalsContact N-NE2 3.11Å; S38-Q60 PolarHBondContact OG-NE2 3.23Å; S38-Q60 PolarHBondContact OG-OE1 2.69Å; G39-Q60 VanDerWaalsContact N-OE1 3.14Å; I57-Q60 HydrophobicContact CG2-CB 4.13Å; I57-Q60 HydrophobicContact CG2-CG 3.43Å; I57-Q60 VanDerWaalsContact CG2-CG 3.43Å; I58-Q60 PolarHBondContact O-NE2 2.96Å; Q60-I62 HydrophobicContact CB-CD1 4.45Å; Q60-I62 HydrophobicContact CB-CG1 4.12Å; Q60-I62 HydrophobicContact CB-CG2 4.11Å; Q60-I62 PolarHBondContact O-N 3.07Å; Q60-C82 WeakPolarHBondContact O-CA 3.24Å; Q60-C82 WeakPolarHBondContact O-CB 3.3Å; Q60-C82 PolarHBondContact O-SG 3.24Å; Q60-C82 VanDerWaalsContact O-SG 3.37Å | ||
| 61 | D | 80.5 | Confident | 85.2 | Confident | 78 Ų | 78 | 36.5 Ų | 36.5 | 42% | 0.417 | 18% | 0.182 | S | C | . | . | trans | -77.3 | 48 | 178.7 | -69.1 | -21.4 | 0 | 0 | 0 | 112.4 | K41 | K41-D61 HydrophobicContact CG-CB 4.31Š| ||
| 62 | I | 82 | Confident | 85.4 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -101.1 | 142 | -177.8 | 63 | 173.2 | 0 | 0 | 0 | 111.9 | W43 I57 Q60 I65 C82 | W43-I62 HydrophobicContact CE3-CD1 4.12Å; W43-I62 HydrophobicContact CE3-CG2 4.07Å; W43-I62 HydrophobicContact CZ3-CD1 4.27Å; I57-I62 HydrophobicContact CG2-CD1 4.25Å; Q60-I62 HydrophobicContact CB-CD1 4.45Å; Q60-I62 HydrophobicContact CB-CG1 4.12Å; Q60-I62 HydrophobicContact CB-CG2 4.11Å; Q60-I62 PolarHBondContact O-N 3.07Å; I62-I65 HydrophobicContact CD1-CG1 4.15Å; I62-C82 HydrophobicContact CG1-CB 4Å | ||
| 63 | T | 80.9 | Confident | 85.4 | Confident | 80 Ų | 80 | 38 Ų | 38 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -93.8 | -30.8 | 177.1 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | L84 | T63-L84 HydrophobicContact CG2-CB 3.76Å; T63-L84 HydrophobicContact CG2-CD1 4.16Å |
| 64 | Y | 78.2 | Confident | 85.6 | Confident | 119 Ų | 119 | 37 Ų | 37 | 47% | 0.467 | 19% | 0.194 | S | C | . | . | trans | -157.6 | 166.5 | 177.3 | 72.1 | -79 | 0 | 0 | 0 | 110.7 | A66 E89 | Y64-A66 HydrophobicContact CD2-CB 4.46Å; Y64-A66 HydrophobicContact CE2-CB 3.77Å; Y64-E89 VanDerWaalsContact CB-OE1 3.29Å; Y64-E89 WeakPolarHBondContact CB-OE1 3Å | ||
| 65 | I | 75.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | trans | -104.1 | 116.8 | 171.2 | -68.3 | -178.6 | 0 | 0 | 0 | 109.7 | W43 L46 I57 I62 L68 L79 N90 | W43-I65 HydrophobicContact CZ2-CB 4.48Å; W43-I65 HydrophobicContact CZ2-CD1 4.23Å; W43-I65 HydrophobicContact CZ2-CG1 4.08Å; W43-I65 HydrophobicContact CZ2-CG2 3.78Å; L46-I65 HydrophobicContact CD1-CG2 3.5Å; L46-I65 HydrophobicContact CG-CG2 4.3Å; I57-I65 HydrophobicContact CD1-CD1 3.77Å; I62-I65 HydrophobicContact CD1-CG1 4.15Å; I65-L68 HydrophobicContact CG2-CB 3.88Å; I65-L68 HydrophobicContact CG2-CD1 4.22Å; I65-L68 HydrophobicContact CG2-CG 4.5Å; I65-L79 HydrophobicContact CD1-CD1 3.66Å; I65-L79 HydrophobicContact CD1-CD2 3.15Å; I65-L79 HydrophobicContact CD1-CG 4.04Å; I65-L79 HydrophobicContact CG1-CD2 4.33Å; I65-N90 PolarHBondContact O-ND2 3.13Å | ||
| 66 | A | 75.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 21% | 0.207 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 132.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W43 Y64 | W43-A66 VanDerWaalsContact CD1-N 3.26Å; W43-A66 PolarHBondContact NE1-O 2.82Å; Y64-A66 HydrophobicContact CD2-CB 4.46Å; Y64-A66 HydrophobicContact CE2-CB 3.77Å |
| 67 | K | 80.3 | Confident | 85.9 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 34% | 0.335 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 28.7 | 170.9 | -47 | -157.6 | -159.4 | 139.6 | 0 | 116.8 | S45 Q47 E69 T70 | S45-K67 WeakPolarHBondContact OG-CD 3.37Å; S45-K67 WeakPolarHBondContact OG-CE 3.4Å; S45-K67 WeakPolarHBondContact OG-CG 3.25Å; S45-K67 PolarHBondContact OG-NZ 3.07Å; Q47-K67 VanDerWaalsContact CD-NZ 3.29Å; Q47-K67 HydrophobicContact CG-CB 4.37Å; Q47-K67 HydrophobicContact CG-CD 3.79Å; K67-E69 VanDerWaalsContact C-OE2 3.31Å; K67-E69 WeakPolarHBondContact CA-OE1 3.25Å; K67-E69 VanDerWaalsContact CA-OE2 3.22Å; K67-E69 WeakPolarHBondContact CA-OE2 3.15Å; K67-E69 PolarHBondContact O-N 2.78Å; K67-E69 VanDerWaalsContact O-N 3.13Å; K67-T70 HydrophobicContact CB-CG2 4.31Å; K67-T70 PolarHBondContact O-N 3.01Å; K67-T70 VanDerWaalsContact O-N 3.14Å; K67-T70 PolarHBondContact O-OG1 2.66Å |
| 68 | L | 84.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -57.6 | -23.8 | 172.1 | -168.7 | 64.4 | 0 | 0 | 0 | 111.8 | L46 L55 I65 T70 C71 L74 L77 N90 L91 | L46-L68 HydrophobicContact CD1-CB 4.33Å; L46-L68 HydrophobicContact CD1-CD1 3.37Å; L46-L68 HydrophobicContact CD1-CG 4.44Å; L55-L68 HydrophobicContact CD2-CD1 4.07Å; I65-L68 HydrophobicContact CG2-CB 3.88Å; I65-L68 HydrophobicContact CG2-CD1 4.22Å; I65-L68 HydrophobicContact CG2-CG 4.5Å; L68-T70 PolarHBondContact O-N 2.96Å; L68-C71 PolarHBondContact O-N 2.98Å; L68-L74 HydrophobicContact CD1-CD2 4.13Å; L68-L77 HydrophobicContact CD2-CD2 3.9Å; L68-N90 HydrophobicContact CB-CB 3.93Å; L68-L91 HydrophobicContact CD2-CD2 3.5Å |
| 69 | E | 82.2 | Confident | 86.3 | Confident | 86 Ų | 86 | 43 Ų | 43 | 40% | 0.402 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -60.4 | -16.9 | 177.8 | 64.3 | -83.4 | -174.6 | 0 | 0 | 114.5 | K67 C71 T93 | K67-E69 VanDerWaalsContact C-OE2 3.31Å; K67-E69 WeakPolarHBondContact CA-OE1 3.25Å; K67-E69 VanDerWaalsContact CA-OE2 3.22Å; K67-E69 WeakPolarHBondContact CA-OE2 3.15Å; K67-E69 PolarHBondContact O-N 2.78Å; K67-E69 VanDerWaalsContact O-N 3.13Å; E69-C71 VanDerWaalsContact C-N 3.31Å; E69-T93 VanDerWaalsContact C-OG1 3.31Å; E69-T93 WeakPolarHBondContact CA-OG1 3.34Å; E69-T93 HydrophobicContact CB-CG2 3.76Å; E69-T93 PolarHBondContact O-OG1 2.77Å |
| 70 | T | 85.1 | Confident | 86.5 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 22% | 0.221 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -82.9 | -3.1 | 178.6 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | Q47 K67 L68 P72 | Q47-T70 HydrophobicContact CG-CG2 3.45Å; Q47-T70 VanDerWaalsContact CG-CG2 3.45Å; Q47-T70 PolarHBondContact N-OG1 2.83Å; K67-T70 HydrophobicContact CB-CG2 4.31Å; K67-T70 PolarHBondContact O-N 3.01Å; K67-T70 VanDerWaalsContact O-N 3.14Å; K67-T70 PolarHBondContact O-OG1 2.66Å; L68-T70 PolarHBondContact O-N 2.96Å; T70-P72 WeakPolarHBondContact O-CD 3.45Å |
| 71 | C | 88.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -111.5 | 64.6 | 178 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | F49 L52 L68 E69 N73 L74 | F49-C71 PolarHBondContact O-SG 2.99Å; L52-C71 HydrophobicContact CB-CB 4.34Å; L68-C71 PolarHBondContact O-N 2.98Å; E69-C71 VanDerWaalsContact C-N 3.31Å; C71-N73 PolarHBondContact O-N 3.28Å; C71-N73 VanDerWaalsContact O-N 3.14Å; C71-L74 WeakPolarHBondContact O-CB 3.46Å; C71-L74 PolarHBondContact O-N 3.1Å | ||
| 72 | P | 88.6 | Confident | 87.2 | Confident | 59 Ų | 59 | 40.9 Ų | 40.9 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.7 | -172.6 | 29.2 | -37 | 0 | 0 | 0 | 114.4 | T70 L74 | T70-P72 WeakPolarHBondContact O-CD 3.45Å; P72-L74 VanDerWaalsContact C-N 3.32Å |
| 73 | N | 89.8 | Confident | 87.1 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -0.3 | -178.3 | -66.6 | -28.7 | 0 | 0 | 0 | 113.8 | L52 T53 C71 K75 | L52-N73 CarbonylContact O-C 3.53Å; L52-N73 VanDerWaalsContact O-C 3.28Å; T53-N73 HydrophobicContact CG2-CB 4.33Å; C71-N73 PolarHBondContact O-N 3.28Å; C71-N73 VanDerWaalsContact O-N 3.14Å; N73-K75 PolarHBondContact O-N 3.22Å |
| 74 | L | 93.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -62.5 | 123.8 | -175.3 | -158.6 | 72 | 0 | 0 | 0 | 111.6 | L52 L55 L68 C71 P72 L77 C94 Q96 L97 | L52-L74 HydrophobicContact CB-CD1 4.22Å; L52-L74 PolarHBondContact O-N 3.36Å; L55-L74 HydrophobicContact CB-CD1 3.83Å; L68-L74 HydrophobicContact CD1-CD2 4.13Å; C71-L74 WeakPolarHBondContact O-CB 3.46Å; C71-L74 PolarHBondContact O-N 3.1Å; P72-L74 VanDerWaalsContact C-N 3.32Å; L74-L77 HydrophobicContact CD2-CB 3.92Å; L74-L77 HydrophobicContact CD2-CD1 4.12Å; L74-L77 HydrophobicContact CD2-CD2 4.08Å; L74-L77 HydrophobicContact CD2-CG 4.27Å; L74-C94 HydrophobicContact CB-CB 4.48Å; L74-Q96 CarbonylContact O-C 3.59Å; L74-Q96 VanDerWaalsContact O-C 3.26Å; L74-L97 HydrophobicContact CB-CD1 4.16Å; L74-L97 HydrophobicContact CD2-CD1 3.85Å; L74-L97 HydrophobicContact CG-CD1 4.03Å; L74-L97 WeakPolarHBondContact O-CA 3.41Å; L74-L97 PolarHBondContact O-N 2.88Å; L74-L97 VanDerWaalsContact O-N 3.13Å | ||
| 75 | K | 95.2 | Very high | 87.7 | Confident | 112 Ų | 112 | 41.6 Ų | 41.6 | 49% | 0.487 | 20% | 0.204 | S | C | . | . | trans | -106.7 | -36.7 | 176.9 | -66.1 | -179.9 | -177.3 | 173.4 | 0 | 111.9 | T53 N73 Q96 L97 T98 E99 | T53-K75 PolarHBondContact O-N 2.81Å; N73-K75 PolarHBondContact O-N 3.22Å; K75-Q96 HydrophobicContact CG-CB 4.22Å; K75-L97 WeakPolarHBondContact O-CA 3.22Å; K75-T98 PolarHBondContact O-N 3.35Å; K75-T98 PolarHBondContact O-OG1 3.32Å; K75-E99 PolarHBondContact O-N 3.2Å | ||
| 76 | K | 96.7 | Very high | 88.5 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.6 | -177.6 | -174.7 | 170.8 | -174.6 | 143.4 | 0 | 110.7 | T53 E54 L55 E99 | T53-K76 PolarHBondContact O-N 2.82Å; E54-K76 CarbonylContact C-O 3.55Å; E54-K76 VanDerWaalsContact CA-O 3.3Å; E54-K76 WeakPolarHBondContact CA-O 3.32Å; E54-K76 HydrophobicContact CB-CB 4.1Å; E54-K76 HydrophobicContact CG-CB 3.88Å; E54-K76 HydrophobicContact CG-CD 4.47Å; L55-K76 PolarHBondContact N-O 2.77Å; K76-E99 WeakPolarHBondContact CA-O 3.37Å; K76-E99 HydrophobicContact CB-CB 4.27Å; K76-E99 VanDerWaalsContact CD-OE2 3.25Å; K76-E99 WeakPolarHBondContact CD-OE2 3.31Å; K76-E99 WeakPolarHBondContact CE-OE2 3.24Å; K76-E99 HydrophobicContact CG-CB 3.97Å; K76-E99 IonicContact NZ-OE2 2.69Å; K76-E99 PolarHBondContact NZ-OE2 3.17Å |
| 77 | L | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 123.5 | 179.4 | 177.9 | 57.6 | 0 | 0 | 0 | 110.7 | L55 L68 L74 L79 L91 L97 E99 L100 Y101 | L55-L77 HydrophobicContact CB-CD1 3.93Å; L55-L77 HydrophobicContact CD2-CD1 3.87Å; L55-L77 HydrophobicContact CG-CD1 3.96Å; L55-L77 CarbonylContact O-C 3.5Å; L55-L77 WeakPolarHBondContact O-CA 3.42Å; L68-L77 HydrophobicContact CD2-CD2 3.9Å; L74-L77 HydrophobicContact CD2-CB 3.92Å; L74-L77 HydrophobicContact CD2-CD1 4.12Å; L74-L77 HydrophobicContact CD2-CD2 4.08Å; L74-L77 HydrophobicContact CD2-CG 4.27Å; L77-L79 HydrophobicContact CD1-CD1 4.24Å; L77-L79 HydrophobicContact CD1-CD2 3.84Å; L77-L79 HydrophobicContact CD1-CG 3.81Å; L77-L79 HydrophobicContact CD2-CD1 4.1Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD1 4.24Å; L77-L79 HydrophobicContact CG-CG 3.99Å; L77-L91 HydrophobicContact CD2-CD2 3.5Å; L77-L91 VanDerWaalsContact CD2-CD2 3.5Å; L77-L97 HydrophobicContact CB-CD1 4.17Å; L77-L97 HydrophobicContact CB-CD2 4.32Å; L77-E99 PolarHBondContact N-O 3.38Å; L77-L100 HydrophobicContact CB-CD1 4Å; L77-L100 HydrophobicContact CD2-CD1 3.88Å; L77-L100 HydrophobicContact CG-CD1 4Å; L77-L100 WeakPolarHBondContact O-CA 3.3Å; L77-Y101 PolarHBondContact O-N 3.4Å |
| 78 | W | 94.8 | Very high | 89.8 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 21% | 0.208 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.9 | 172 | -63.8 | 38.1 | 0 | 0 | 0 | 108.7 | L55 I56 I57 I58 Y101 Y103 | L55-W78 PolarHBondContact O-N 3.28Å; I56-W78 HydrophobicContact CB-CB 4.31Å; I56-W78 HydrophobicContact CG1-CB 4.18Å; I56-W78 HydrophobicContact CG1-CG 4Å; I56-W78 HydrophobicContact CG2-CB 4.08Å; I56-W78 HydrophobicContact CG2-CD2 4.49Å; I56-W78 HydrophobicContact CG2-CE3 4.49Å; I56-W78 HydrophobicContact CG2-CG 4.34Å; I57-W78 PolarHBondContact N-O 2.93Å; I58-W78 HydrophobicContact CD1-CE3 4.17Å; W78-Y101 CarbonylContact C-O 3.45Å; W78-Y101 WeakPolarHBondContact CA-O 3.16Å; W78-Y101 AromaticContact CD1-CD2 3.33Å; W78-Y101 AromaticContact CD1-CE2 3.97Å; W78-Y101 AromaticContact CD1-CG 3.98Å; W78-Y101 HydrophobicContact CD2-CD2 4.04Å; W78-Y101 HydrophobicContact CD2-CG 4.04Å; W78-Y101 AromaticContact CE2-CD2 3.47Å; W78-Y101 VanDerWaalsContact CE2-CD2 3.47Å; W78-Y101 AromaticContact CE2-CE2 3.64Å; W78-Y101 AromaticContact CE2-CG 3.77Å; W78-Y101 AromaticContact CG-CD2 3.93Å; W78-Y101 HydrophobicContact CG-CD2 3.93Å; W78-Y101 HydrophobicContact CG-CG 4.13Å; W78-Y101 HydrophobicContact CZ2-CD1 4.27Å; W78-Y101 HydrophobicContact CZ2-CD2 4.08Å; W78-Y101 HydrophobicContact CZ2-CE1 4.14Å; W78-Y101 AromaticContact CZ2-CE2 3.89Å; W78-Y101 HydrophobicContact CZ2-CE2 3.89Å; W78-Y101 HydrophobicContact CZ2-CG 4.24Å; W78-Y101 AromaticContact CZ2-CZ 3.95Å; W78-Y101 AromaticContact NE1-CD2 2.94Å; W78-Y101 AromaticContact NE1-CE2 3.14Å; W78-Y101 AromaticContact NE1-CG 3.7Å; W78-Y103 HydrophobicContact CE3-CE1 4.49Å; W78-Y103 HydrophobicContact CZ3-CE1 4.48Å |
| 79 | L | 92.3 | Very high | 90.1 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 80 | 174.6 | -58.8 | 179.6 | 0 | 0 | 0 | 107.5 | I57 I65 L77 I85 Y101 L102 N105 | I57-L79 HydrophobicContact CB-CD2 3.89Å; I57-L79 HydrophobicContact CD1-CD2 3.56Å; I57-L79 HydrophobicContact CG1-CD2 3.88Å; I65-L79 HydrophobicContact CD1-CD1 3.66Å; I65-L79 HydrophobicContact CD1-CD2 3.15Å; I65-L79 HydrophobicContact CD1-CG 4.04Å; I65-L79 HydrophobicContact CG1-CD2 4.33Å; L77-L79 HydrophobicContact CD1-CD1 4.24Å; L77-L79 HydrophobicContact CD1-CD2 3.84Å; L77-L79 HydrophobicContact CD1-CG 3.81Å; L77-L79 HydrophobicContact CD2-CD1 4.1Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD1 4.24Å; L77-L79 HydrophobicContact CG-CG 3.99Å; L79-I85 HydrophobicContact CB-CD1 4.12Å; L79-Y101 PolarHBondContact N-O 2.76Å; L79-L102 HydrophobicContact CB-CD2 3.76Å; L79-L102 HydrophobicContact CD1-CD2 3.92Å; L79-L102 HydrophobicContact CG-CD2 4.21Å; L79-L102 WeakPolarHBondContact O-CA 3Å; L79-N105 PolarHBondContact O-ND2 2.7Å |
| 80 | C | 92.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.8 | -163.8 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | I57 I58 S59 C82 Y103 | I57-C80 PolarHBondContact O-N 3.35Å; I58-C80 WeakPolarHBondContact CA-O 3.3Å; I58-C80 HydrophobicContact CG1-CB 4.44Å; S59-C80 PolarHBondContact N-O 3Å; C80-C82 PolarHBondContact O-N 3.15Å; C80-C82 VanDerWaalsContact O-N 3.09Å; C80-Y103 VanDerWaalsContact CA-O 3.31Å; C80-Y103 WeakPolarHBondContact CA-O 3.36Å; C80-Y103 HydrophobicContact CB-CD1 4.11Å; C80-Y103 HydrophobicContact CB-CD2 4.03Å; C80-Y103 HydrophobicContact CB-CE1 3.71Å; C80-Y103 HydrophobicContact CB-CE2 3.62Å; C80-Y103 HydrophobicContact CB-CG 4.24Å; C80-Y103 VanDerWaalsContact CB-CZ 3.43Å; C80-Y103 VanDerWaalsContact SG-CD1 3.51Å; C80-Y103 WeakPolarHBondContact SG-CE1 3.46Å |
| 81 | E | 90.8 | Very high | 90.6 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 59.5 | 22.9 | 175.1 | -50.4 | 177.1 | -159.6 | 0 | 0 | 113.8 | I58 S59 K83 Y103 D104 | I58-E81 HydrophobicContact CG2-CB 4.49Å; I58-E81 HydrophobicContact CG2-CG 4.41Å; S59-E81 WeakPolarHBondContact CA-O 3.11Å; S59-E81 PolarHBondContact OG-OE2 3.15Å; E81-K83 VanDerWaalsContact C-N 3.31Å; E81-Y103 HydrophobicContact CG-CE2 3.99Å; E81-Y103 PolarHBondContact N-O 2.74Å; E81-D104 CarbonylContact C-O 3.43Å; E81-D104 VanDerWaalsContact CA-O 3.24Å; E81-D104 WeakPolarHBondContact CA-O 3.07Å; E81-D104 HydrophobicContact CB-CB 4.39Å; E81-D104 HydrophobicContact CG-CB 3.94Å; E81-D104 PolarHBondContact N-O 3.45Å |
| 82 | C | 88.3 | Confident | 90.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -81.1 | -15.3 | 178.3 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | Q60 I62 C80 L84 I85 N105 | Q60-C82 WeakPolarHBondContact O-CA 3.24Å; Q60-C82 WeakPolarHBondContact O-CB 3.3Å; Q60-C82 PolarHBondContact O-SG 3.24Å; Q60-C82 VanDerWaalsContact O-SG 3.37Å; I62-C82 HydrophobicContact CG1-CB 4Å; C80-C82 PolarHBondContact O-N 3.15Å; C80-C82 VanDerWaalsContact O-N 3.09Å; C82-L84 PolarHBondContact O-N 3.05Å; C82-I85 HydrophobicContact CB-CD1 3.85Å; C82-I85 HydrophobicContact CB-CG1 4.04Å; C82-N105 WeakPolarHBondContact CB-OD1 3.43Å; C82-N105 PolarHBondContact N-OD1 2.75Å | ||
| 83 | K | 81.2 | Confident | 90.6 | Very high | 131 Ų | 131 | 51.9 Ų | 51.9 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 62.2 | -29.7 | 175.1 | -59 | 178.6 | -179.4 | 174.6 | 0 | 116.3 | E81 D104 N105 S106 | E81-K83 VanDerWaalsContact C-N 3.31Å; K83-D104 PolarHBondContact N-O 2.74Å; K83-N105 PolarHBondContact N-OD1 2.95Å; K83-S106 WeakPolarHBondContact O-CB 3.44Å; K83-S106 PolarHBondContact O-OG 3.36Å |
| 84 | L | 83 | Confident | 90.7 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 41% | 0.414 | 23% | 0.228 | S | C | . | . | trans | -101.7 | -9.1 | -171.4 | -59.4 | 176.9 | 0 | 0 | 0 | 113.8 | T63 C82 Q86 | T63-L84 HydrophobicContact CG2-CB 3.76Å; T63-L84 HydrophobicContact CG2-CD1 4.16Å; C82-L84 PolarHBondContact O-N 3.05Å; L84-Q86 PolarHBondContact O-N 2.84Å | ||
| 85 | I | 88.5 | Confident | 90.7 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.046 | 25% | 0.248 | C | C | . | . | trans | -70.7 | 115.8 | 177.6 | -59.5 | 176.6 | 0 | 0 | 0 | 109.1 | L79 C82 K87 N105 S106 I107 | L79-I85 HydrophobicContact CB-CD1 4.12Å; C82-I85 HydrophobicContact CB-CD1 3.85Å; C82-I85 HydrophobicContact CB-CG1 4.04Å; I85-K87 WeakPolarHBondContact CG2-O 3.48Å; I85-N105 HydrophobicContact CB-CB 4.18Å; I85-S106 CarbonylContact O-C 3.59Å; I85-S106 VanDerWaalsContact O-CA 3.28Å; I85-S106 WeakPolarHBondContact O-CA 3.18Å; I85-S106 PolarHBondContact O-N 3.09Å; I85-I107 HydrophobicContact CG2-CG1 4.32Å; I85-I107 PolarHBondContact O-N 2.67Å | ||
| 86 | Q | 91.6 | Very high | 90.6 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 55% | 0.547 | 24% | 0.24 | S | C | . | . | trans | -102.6 | -18.2 | -176.6 | -67.1 | 180 | 9.4 | 0 | 0 | 114.2 | L84 S106 I107 K108 | L84-Q86 PolarHBondContact O-N 2.84Å; Q86-S106 WeakPolarHBondContact CA-O 3.39Å; Q86-I107 WeakPolarHBondContact O-CA 3.22Å; Q86-K108 PolarHBondContact O-N 3.45Å | ||
| 87 | K | 91.7 | Very high | 90.6 | Very high | 119 Ų | 119 | 48.9 Ų | 48.9 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -141.5 | 147.8 | -175.5 | -65.5 | -172.6 | 179.2 | -175.8 | 0 | 110.8 | I85 | I85-K87 WeakPolarHBondContact CG2-O 3.48Š|
| 88 | I | 92.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | trans | -82.9 | 118.7 | 169.1 | -53.2 | 179.3 | 0 | 0 | 0 | 106.5 | L91 L102 I107 E111 N112 L113 L124 | I88-L91 HydrophobicContact CG2-CD1 3.49Å; I88-L91 VanDerWaalsContact CG2-CD1 3.49Å; I88-L91 HydrophobicContact CG2-CG 4.46Å; I88-L102 HydrophobicContact CD1-CD1 3.88Å; I88-L102 HydrophobicContact CG1-CD1 3.92Å; I88-L102 HydrophobicContact CG2-CD1 4.27Å; I88-I107 HydrophobicContact CD1-CG2 4.37Å; I88-I107 HydrophobicContact CG1-CD1 3.99Å; I88-I107 HydrophobicContact CG1-CG2 4.03Å; I88-E111 WeakPolarHBondContact CB-O 3.34Å; I88-N112 VanDerWaalsContact O-CB 3.3Å; I88-N112 WeakPolarHBondContact O-CB 3.24Å; I88-N112 PolarHBondContact O-ND2 3.14Å; I88-L113 HydrophobicContact CD1-CD1 4.48Å; I88-L113 HydrophobicContact CG2-CD2 4.05Å; I88-L113 HydrophobicContact CG2-CG 4.48Å; I88-L124 HydrophobicContact CD1-CD2 3.97Å | ||
| 89 | E | 90.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | trans | -150.2 | 169.3 | -178.3 | 58.7 | 179.7 | -155.9 | 0 | 0 | 112.3 | Y64 L91 | Y64-E89 VanDerWaalsContact CB-OE1 3.29Å; Y64-E89 WeakPolarHBondContact CB-OE1 3Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 3.34Å | ||
| 90 | N | 87.4 | Confident | 91.2 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 63.4 | 19.3 | 178.1 | -51 | -34.2 | 0 | 0 | 0 | 115.8 | I65 L68 | I65-N90 PolarHBondContact O-ND2 3.13Å; L68-N90 HydrophobicContact CB-CB 3.93Å |
| 91 | L | 90.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | trans | -94.1 | -4.1 | 178.6 | -62.1 | 177.9 | 0 | 0 | 0 | 115.1 | L68 L77 I88 E89 T93 C94 L100 L113 N116 | L68-L91 HydrophobicContact CD2-CD2 3.5Å; L77-L91 HydrophobicContact CD2-CD2 3.5Å; L77-L91 VanDerWaalsContact CD2-CD2 3.5Å; I88-L91 HydrophobicContact CG2-CD1 3.49Å; I88-L91 VanDerWaalsContact CG2-CD1 3.49Å; I88-L91 HydrophobicContact CG2-CG 4.46Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 3.34Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.21Å; L91-C94 PolarHBondContact O-N 2.83Å; L91-L100 HydrophobicContact CD1-CD1 4.47Å; L91-L100 HydrophobicContact CD1-CD2 3.74Å; L91-L113 HydrophobicContact CD1-CD2 3.68Å; L91-N116 PolarHBondContact O-ND2 3.07Å | ||
| 92 | N | 88.2 | Confident | 91.7 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31.2 | -170.7 | -68.7 | -19.4 | 0 | 0 | 0 | 114.3 | F115 | N92-F115 HydrophobicContact CB-CD2 3.94Å; N92-F115 HydrophobicContact CB-CE2 4.39Å |
| 93 | T | 88.7 | Confident | 92 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -17.5 | 178.1 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | E69 L91 K95 | E69-T93 VanDerWaalsContact C-OG1 3.31Å; E69-T93 WeakPolarHBondContact CA-OG1 3.34Å; E69-T93 HydrophobicContact CB-CG2 3.76Å; E69-T93 PolarHBondContact O-OG1 2.77Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.21Å; T93-K95 PolarHBondContact O-N 3.09Å |
| 94 | C | 92.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -76.5 | 55.8 | 179.3 | -63.4 | 0 | 0 | 0 | 0 | 111.5 | L74 L91 Q96 L97 N116 | L74-C94 HydrophobicContact CB-CB 4.48Å; L91-C94 PolarHBondContact O-N 2.83Å; C94-Q96 PolarHBondContact O-N 2.92Å; C94-Q96 VanDerWaalsContact O-N 3.17Å; C94-L97 HydrophobicContact CB-CD1 3.71Å; C94-L97 WeakPolarHBondContact O-CB 3.46Å; C94-L97 PolarHBondContact O-N 3.37Å; C94-N116 PolarHBondContact O-ND2 3.43Å | ||
| 95 | K | 92.8 | Very high | 93.1 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 42% | 0.422 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.9 | -174 | -63.2 | 178.2 | -177.2 | 175.9 | 0 | 113.5 | T93 | T93-K95 PolarHBondContact O-N 3.09Š|
| 96 | Q | 93.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.1 | 178.9 | -56.8 | -57.1 | -30.4 | 0 | 0 | 113.5 | L74 K75 C94 T98 | L74-Q96 CarbonylContact O-C 3.59Å; L74-Q96 VanDerWaalsContact O-C 3.26Å; K75-Q96 HydrophobicContact CG-CB 4.22Å; C94-Q96 PolarHBondContact O-N 2.92Å; C94-Q96 VanDerWaalsContact O-N 3.17Å; Q96-T98 PolarHBondContact O-N 3.36Å |
| 97 | L | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -61.4 | 123.1 | -175.2 | -129.3 | 107 | 0 | 0 | 0 | 111.8 | L74 K75 L77 C94 E99 L100 K118 L119 | L74-L97 HydrophobicContact CB-CD1 4.16Å; L74-L97 HydrophobicContact CD2-CD1 3.85Å; L74-L97 HydrophobicContact CG-CD1 4.03Å; L74-L97 WeakPolarHBondContact O-CA 3.41Å; L74-L97 PolarHBondContact O-N 2.88Å; L74-L97 VanDerWaalsContact O-N 3.13Å; K75-L97 WeakPolarHBondContact O-CA 3.22Å; L77-L97 HydrophobicContact CB-CD1 4.17Å; L77-L97 HydrophobicContact CB-CD2 4.32Å; C94-L97 HydrophobicContact CB-CD1 3.71Å; C94-L97 WeakPolarHBondContact O-CB 3.46Å; C94-L97 PolarHBondContact O-N 3.37Å; L97-E99 WeakPolarHBondContact CD2-O 3.17Å; L97-L100 HydrophobicContact CD2-CB 3.61Å; L97-L100 HydrophobicContact CD2-CD1 4.01Å; L97-L100 HydrophobicContact CD2-CD2 4.3Å; L97-L100 HydrophobicContact CD2-CG 4.19Å; L97-K118 CarbonylContact O-C 3.59Å; L97-K118 WeakPolarHBondContact O-CB 3.49Å; L97-L119 HydrophobicContact CB-CD2 4.39Å; L97-L119 HydrophobicContact CD2-CD2 3.81Å; L97-L119 PolarHBondContact O-N 3.24Å; L97-L119 VanDerWaalsContact O-N 3.16Å | ||
| 98 | T | 97.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | trans | -108.5 | -27.5 | 173.5 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | K75 Q96 K118 E120 Y121 | K75-T98 PolarHBondContact O-N 3.35Å; K75-T98 PolarHBondContact O-OG1 3.32Å; Q96-T98 PolarHBondContact O-N 3.36Å; T98-K118 HydrophobicContact CG2-CB 4.47Å; T98-E120 PolarHBondContact O-N 3.21Å; T98-Y121 PolarHBondContact O-N 3.19Å | ||
| 99 | E | 98.4 | Very high | 94 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 123.1 | -176 | -70.2 | -178.6 | -147.6 | 0 | 0 | 111.5 | K75 K76 L77 L97 Y101 Y121 | K75-E99 PolarHBondContact O-N 3.2Å; K76-E99 WeakPolarHBondContact CA-O 3.37Å; K76-E99 HydrophobicContact CB-CB 4.27Å; K76-E99 VanDerWaalsContact CD-OE2 3.25Å; K76-E99 WeakPolarHBondContact CD-OE2 3.31Å; K76-E99 WeakPolarHBondContact CE-OE2 3.24Å; K76-E99 HydrophobicContact CG-CB 3.97Å; K76-E99 IonicContact NZ-OE2 2.69Å; K76-E99 PolarHBondContact NZ-OE2 3.17Å; L77-E99 PolarHBondContact N-O 3.38Å; L97-E99 WeakPolarHBondContact CD2-O 3.17Å; E99-Y101 HydrophobicContact CB-CD2 4.47Å; E99-Y101 HydrophobicContact CB-CE2 3.85Å; E99-Y101 HydrophobicContact CG-CE2 4.42Å; E99-Y121 HydrophobicContact CG-CD2 3.68Å; E99-Y121 HydrophobicContact CG-CE2 4.48Å; E99-Y121 HydrophobicContact CG-CG 4.17Å |
| 100 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 118.3 | 177.6 | -176.9 | 55 | 0 | 0 | 0 | 111.4 | L77 L91 L97 L102 L113 L119 Y121 L122 W123 | L77-L100 HydrophobicContact CB-CD1 4Å; L77-L100 HydrophobicContact CD2-CD1 3.88Å; L77-L100 HydrophobicContact CG-CD1 4Å; L77-L100 WeakPolarHBondContact O-CA 3.3Å; L91-L100 HydrophobicContact CD1-CD1 4.47Å; L91-L100 HydrophobicContact CD1-CD2 3.74Å; L97-L100 HydrophobicContact CD2-CB 3.61Å; L97-L100 HydrophobicContact CD2-CD1 4.01Å; L97-L100 HydrophobicContact CD2-CD2 4.3Å; L97-L100 HydrophobicContact CD2-CG 4.19Å; L100-L102 HydrophobicContact CD1-CD1 3.93Å; L100-L102 HydrophobicContact CD1-CD2 4.15Å; L100-L102 HydrophobicContact CD1-CG 3.82Å; L100-L102 HydrophobicContact CD2-CD1 3.75Å; L100-L102 HydrophobicContact CD2-CG 4.5Å; L100-L102 HydrophobicContact CG-CD1 3.7Å; L100-L102 HydrophobicContact CG-CG 3.91Å; L100-L113 HydrophobicContact CD2-CD2 3.65Å; L100-L119 HydrophobicContact CB-CD2 3.72Å; L100-Y121 PolarHBondContact N-O 2.72Å; L100-L122 HydrophobicContact CB-CD1 4.05Å; L100-L122 HydrophobicContact CD2-CD1 3.85Å; L100-L122 HydrophobicContact CG-CD1 3.99Å; L100-L122 WeakPolarHBondContact O-CA 3.31Å; L100-W123 PolarHBondContact O-N 3.22Å |
| 101 | Y | 97.6 | Very high | 94.6 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 8% | 0.078 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 119.7 | 178.7 | -60 | -99 | 0 | 0 | 0 | 109.5 | L77 W78 L79 E99 W123 | L77-Y101 PolarHBondContact O-N 3.4Å; W78-Y101 CarbonylContact C-O 3.45Å; W78-Y101 WeakPolarHBondContact CA-O 3.16Å; W78-Y101 AromaticContact CD1-CD2 3.33Å; W78-Y101 AromaticContact CD1-CE2 3.97Å; W78-Y101 AromaticContact CD1-CG 3.98Å; W78-Y101 HydrophobicContact CD2-CD2 4.04Å; W78-Y101 HydrophobicContact CD2-CG 4.04Å; W78-Y101 AromaticContact CE2-CD2 3.47Å; W78-Y101 VanDerWaalsContact CE2-CD2 3.47Å; W78-Y101 AromaticContact CE2-CE2 3.64Å; W78-Y101 AromaticContact CE2-CG 3.77Å; W78-Y101 AromaticContact CG-CD2 3.93Å; W78-Y101 HydrophobicContact CG-CD2 3.93Å; W78-Y101 HydrophobicContact CG-CG 4.13Å; W78-Y101 HydrophobicContact CZ2-CD1 4.27Å; W78-Y101 HydrophobicContact CZ2-CD2 4.08Å; W78-Y101 HydrophobicContact CZ2-CE1 4.14Å; W78-Y101 AromaticContact CZ2-CE2 3.89Å; W78-Y101 HydrophobicContact CZ2-CE2 3.89Å; W78-Y101 HydrophobicContact CZ2-CG 4.24Å; W78-Y101 AromaticContact CZ2-CZ 3.95Å; W78-Y101 AromaticContact NE1-CD2 2.94Å; W78-Y101 AromaticContact NE1-CE2 3.14Å; W78-Y101 AromaticContact NE1-CG 3.7Å; L79-Y101 PolarHBondContact N-O 2.76Å; E99-Y101 HydrophobicContact CB-CD2 4.47Å; E99-Y101 HydrophobicContact CB-CE2 3.85Å; E99-Y101 HydrophobicContact CG-CE2 4.42Å; Y101-W123 HydrophobicContact CD1-CB 3.68Å; Y101-W123 AromaticContact CD1-CD2 3.46Å; Y101-W123 HydrophobicContact CD1-CD2 3.46Å; Y101-W123 VanDerWaalsContact CD1-CD2 3.46Å; Y101-W123 AromaticContact CD1-CE3 3.53Å; Y101-W123 HydrophobicContact CD1-CE3 3.53Å; Y101-W123 AromaticContact CD1-CG 3.56Å; Y101-W123 HydrophobicContact CD1-CG 3.56Å; Y101-W123 HydrophobicContact CD1-CZ3 4.25Å; Y101-W123 HydrophobicContact CE1-CB 4.33Å; Y101-W123 AromaticContact CE1-CD2 3.38Å; Y101-W123 HydrophobicContact CE1-CD2 3.38Å; Y101-W123 AromaticContact CE1-CE2 3.57Å; Y101-W123 AromaticContact CE1-CE3 3.67Å; Y101-W123 HydrophobicContact CE1-CE3 3.67Å; Y101-W123 AromaticContact CE1-CG 3.71Å; Y101-W123 HydrophobicContact CE1-CG 3.71Å; Y101-W123 HydrophobicContact CE1-CH2 4.23Å; Y101-W123 HydrophobicContact CE1-CZ2 4Å; Y101-W123 HydrophobicContact CE1-CZ3 4.08Å; Y101-W123 AromaticContact CE1-NE1 3.97Å; Y101-W123 HydrophobicContact CG-CB 4.38Å |
| 102 | L | 96.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | trans | -134.4 | 23.7 | -172 | -69.9 | 169.3 | 0 | 0 | 0 | 111.7 | L79 I88 L100 N105 I107 W123 L124 N127 | L79-L102 HydrophobicContact CB-CD2 3.76Å; L79-L102 HydrophobicContact CD1-CD2 3.92Å; L79-L102 HydrophobicContact CG-CD2 4.21Å; L79-L102 WeakPolarHBondContact O-CA 3Å; I88-L102 HydrophobicContact CD1-CD1 3.88Å; I88-L102 HydrophobicContact CG1-CD1 3.92Å; I88-L102 HydrophobicContact CG2-CD1 4.27Å; L100-L102 HydrophobicContact CD1-CD1 3.93Å; L100-L102 HydrophobicContact CD1-CD2 4.15Å; L100-L102 HydrophobicContact CD1-CG 3.82Å; L100-L102 HydrophobicContact CD2-CD1 3.75Å; L100-L102 HydrophobicContact CD2-CG 4.5Å; L100-L102 HydrophobicContact CG-CD1 3.7Å; L100-L102 HydrophobicContact CG-CG 3.91Å; L102-N105 PolarHBondContact O-ND2 2.85Å; L102-I107 HydrophobicContact CB-CD1 3.85Å; L102-I107 HydrophobicContact CD1-CD1 4.22Å; L102-I107 HydrophobicContact CG-CD1 4.44Å; L102-W123 WeakPolarHBondContact CA-O 3.49Å; L102-W123 PolarHBondContact N-O 2.82Å; L102-L124 HydrophobicContact CB-CD2 3.81Å; L102-L124 HydrophobicContact CD1-CD2 3.89Å; L102-N127 PolarHBondContact O-ND2 2.95Å | ||
| 103 | Y | 95 | Very high | 95 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 14% | 0.137 | 18% | 0.181 | C | C | . | . | trans | -73.6 | 156.6 | -173.6 | 67.3 | -99.6 | 0 | 0 | 0 | 113.6 | W78 C80 E81 N105 W123 N125 | W78-Y103 HydrophobicContact CE3-CE1 4.49Å; W78-Y103 HydrophobicContact CZ3-CE1 4.48Å; C80-Y103 VanDerWaalsContact CA-O 3.31Å; C80-Y103 WeakPolarHBondContact CA-O 3.36Å; C80-Y103 HydrophobicContact CB-CD1 4.11Å; C80-Y103 HydrophobicContact CB-CD2 4.03Å; C80-Y103 HydrophobicContact CB-CE1 3.71Å; C80-Y103 HydrophobicContact CB-CE2 3.62Å; C80-Y103 HydrophobicContact CB-CG 4.24Å; C80-Y103 VanDerWaalsContact CB-CZ 3.43Å; C80-Y103 VanDerWaalsContact SG-CD1 3.51Å; C80-Y103 WeakPolarHBondContact SG-CE1 3.46Å; E81-Y103 HydrophobicContact CG-CE2 3.99Å; E81-Y103 PolarHBondContact N-O 2.74Å; Y103-N105 PolarHBondContact O-ND2 3.12Å; Y103-W123 HydrophobicContact CD1-CE3 4.21Å; Y103-N125 CarbonylContact C-O 3.57Å; Y103-N125 WeakPolarHBondContact CA-O 3.45Å; Y103-N125 VanDerWaalsContact CB-ND2 3.32Å; Y103-N125 WeakPolarHBondContact CB-ND2 3.21Å; Y103-N125 WeakPolarHBondContact CB-O 3.01Å; Y103-N125 VanDerWaalsContact CB-OD1 3.24Å; Y103-N125 WeakPolarHBondContact CB-OD1 3.28Å | ||
| 104 | D | 94.4 | Very high | 95.2 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 31% | 0.305 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 58.2 | 55.4 | -179.7 | -161.2 | 24.3 | 0 | 0 | 0 | 113.1 | E81 K83 N125 N126 | E81-D104 CarbonylContact C-O 3.43Å; E81-D104 VanDerWaalsContact CA-O 3.24Å; E81-D104 WeakPolarHBondContact CA-O 3.07Å; E81-D104 HydrophobicContact CB-CB 4.39Å; E81-D104 HydrophobicContact CG-CB 3.94Å; E81-D104 PolarHBondContact N-O 3.45Å; K83-D104 PolarHBondContact N-O 2.74Å; D104-N125 PolarHBondContact N-O 3.06Å; D104-N126 WeakPolarHBondContact CA-O 3.24Å; D104-N126 HydrophobicContact CB-CB 4.22Å; D104-N126 PolarHBondContact N-O 3.14Å |
| 105 | N | 94.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -133.2 | -170.3 | 177.7 | -75 | -60.4 | 0 | 0 | 0 | 110.2 | L79 C82 K83 I85 L102 Y103 I107 N126 N127 | L79-N105 PolarHBondContact O-ND2 2.7Å; C82-N105 WeakPolarHBondContact CB-OD1 3.43Å; C82-N105 PolarHBondContact N-OD1 2.75Å; K83-N105 PolarHBondContact N-OD1 2.95Å; I85-N105 HydrophobicContact CB-CB 4.18Å; L102-N105 PolarHBondContact O-ND2 2.85Å; Y103-N105 PolarHBondContact O-ND2 3.12Å; N105-I107 HydrophobicContact CB-CD1 4.38Å; N105-I107 HydrophobicContact CB-CG1 4.27Å; N105-N126 PolarHBondContact N-O 3.06Å; N105-N126 VanDerWaalsContact N-O 3.13Å; N105-N127 WeakPolarHBondContact CA-OD1 3.49Å; N105-N127 WeakPolarHBondContact CB-OD1 3.42Å; N105-N127 PolarHBondContact O-OD1 2.85Å |
| 106 | S | 94.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | trans | -110.6 | 29.9 | 179.7 | -70 | 0 | 0 | 0 | 0 | 112.7 | K83 I85 Q86 K108 N127 | K83-S106 WeakPolarHBondContact O-CB 3.44Å; K83-S106 PolarHBondContact O-OG 3.36Å; I85-S106 CarbonylContact O-C 3.59Å; I85-S106 VanDerWaalsContact O-CA 3.28Å; I85-S106 WeakPolarHBondContact O-CA 3.18Å; I85-S106 PolarHBondContact O-N 3.09Å; Q86-S106 WeakPolarHBondContact CA-O 3.39Å; S106-K108 PolarHBondContact O-N 2.88Å; S106-N127 PolarHBondContact N-OD1 3.41Å | ||
| 107 | I | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -69.7 | 124.6 | -175.7 | -61.3 | 165.5 | 0 | 0 | 0 | 110.2 | I85 Q86 I88 L102 N105 K109 L124 N127 Q128 I129 | I85-I107 HydrophobicContact CG2-CG1 4.32Å; I85-I107 PolarHBondContact O-N 2.67Å; Q86-I107 WeakPolarHBondContact O-CA 3.22Å; I88-I107 HydrophobicContact CD1-CG2 4.37Å; I88-I107 HydrophobicContact CG1-CD1 3.99Å; I88-I107 HydrophobicContact CG1-CG2 4.03Å; L102-I107 HydrophobicContact CB-CD1 3.85Å; L102-I107 HydrophobicContact CD1-CD1 4.22Å; L102-I107 HydrophobicContact CG-CD1 4.44Å; N105-I107 HydrophobicContact CB-CD1 4.38Å; N105-I107 HydrophobicContact CB-CG1 4.27Å; I107-K109 VanDerWaalsContact CG2-O 3.3Å; I107-K109 WeakPolarHBondContact CG2-O 3.48Å; I107-L124 HydrophobicContact CD1-CD2 4.02Å; I107-N127 HydrophobicContact CB-CB 4.27Å; I107-N127 WeakPolarHBondContact CB-OD1 3.49Å; I107-N127 WeakPolarHBondContact CG1-OD1 3.39Å; I107-N127 PolarHBondContact N-OD1 2.92Å; I107-Q128 CarbonylContact O-C 3.5Å; I107-Q128 VanDerWaalsContact O-C 3.29Å; I107-Q128 VanDerWaalsContact O-CA 3.32Å; I107-Q128 WeakPolarHBondContact O-CA 3.43Å; I107-Q128 PolarHBondContact O-N 3.13Å; I107-I129 PolarHBondContact O-N 3.22Å | ||
| 108 | K | 95.4 | Very high | 95.4 | Very high | 128 Ų | 128 | 43.9 Ų | 43.9 | 56% | 0.557 | 21% | 0.209 | S | C | * | . | trans | -94.6 | -24.6 | -178.9 | -63.9 | -176.8 | 179.5 | -176.4 | 0 | 114.2 | Q86 S106 Q128 | Q86-K108 PolarHBondContact O-N 3.45Å; S106-K108 PolarHBondContact O-N 2.88Å; K108-Q128 HydrophobicContact CG-CB 4.04Å | ||
| 109 | K | 95.9 | Very high | 95.4 | Very high | 82 Ų | 82 | 42 Ų | 42 | 36% | 0.357 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -142.3 | 140.2 | -170.8 | -163.3 | 179.8 | -174.4 | -173.1 | 0 | 111.3 | I107 E111 E133 | I107-K109 VanDerWaalsContact CG2-O 3.3Å; I107-K109 WeakPolarHBondContact CG2-O 3.48Å; K109-E111 PolarHBondContact O-N 2.67Å; K109-E133 WeakPolarHBondContact CE-OE1 3.17Å; K109-E133 WeakPolarHBondContact CE-OE2 3.14Å; K109-E133 VanDerWaalsContact CG-OE1 3.31Å; K109-E133 WeakPolarHBondContact CG-OE1 3.32Å; K109-E133 IonicContact NZ-OE2 2.77Å; K109-E133 PolarHBondContact NZ-OE2 3.18Å |
| 110 | I | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -78.9 | 109.5 | 167.8 | -52.7 | 177.9 | 0 | 0 | 0 | 107.2 | L113 L124 I129 N134 L135 L146 | I110-L113 HydrophobicContact CG2-CD1 4.1Å; I110-L124 HydrophobicContact CD1-CD1 4.15Å; I110-L124 HydrophobicContact CG1-CD1 4Å; I110-I129 HydrophobicContact CD1-CD1 4.44Å; I110-I129 HydrophobicContact CD1-CG2 4.43Å; I110-I129 HydrophobicContact CG1-CD1 3.9Å; I110-I129 HydrophobicContact CG1-CG2 4.23Å; I110-N134 WeakPolarHBondContact O-CB 3.46Å; I110-N134 PolarHBondContact O-ND2 2.9Å; I110-L135 HydrophobicContact CD1-CD2 4.43Å; I110-L135 HydrophobicContact CG2-CD2 3.96Å; I110-L146 HydrophobicContact CD1-CD2 4.1Å | ||
| 111 | E | 94.9 | Very high | 95.4 | Very high | 41 Ų | 41 | 45.6 Ų | 45.6 | 19% | 0.192 | 21% | 0.211 | C | C | . | . | trans | -150.4 | 169.3 | -176.2 | 60.6 | -176.6 | -175 | 0 | 0 | 112 | I88 K109 L113 | I88-E111 WeakPolarHBondContact CB-O 3.34Å; K109-E111 PolarHBondContact O-N 2.67Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 2.97Å | ||
| 112 | N | 93.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 59.2 | 30 | 174.7 | -57.6 | -40.5 | 0 | 0 | 0 | 116.1 | I88 | I88-N112 VanDerWaalsContact O-CB 3.3Å; I88-N112 WeakPolarHBondContact O-CB 3.24Å; I88-N112 PolarHBondContact O-ND2 3.14Å |
| 113 | L | 94.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | trans | -107 | 7.8 | 176.5 | -63.4 | 176.2 | 0 | 0 | 0 | 114.1 | I88 L91 L100 I110 E111 F115 N116 L119 L122 L138 | I88-L113 HydrophobicContact CD1-CD1 4.48Å; I88-L113 HydrophobicContact CG2-CD2 4.05Å; I88-L113 HydrophobicContact CG2-CG 4.48Å; L91-L113 HydrophobicContact CD1-CD2 3.68Å; L100-L113 HydrophobicContact CD2-CD2 3.65Å; I110-L113 HydrophobicContact CG2-CD1 4.1Å; E111-L113 VanDerWaalsContact C-N 3.3Å; E111-L113 PolarHBondContact O-N 2.97Å; L113-F115 PolarHBondContact O-N 3.2Å; L113-F115 VanDerWaalsContact O-N 3.12Å; L113-N116 WeakPolarHBondContact CA-OD1 3.32Å; L113-N116 PolarHBondContact O-N 3.1Å; L113-N116 VanDerWaalsContact O-N 3.09Å; L113-L119 HydrophobicContact CD2-CD1 4.17Å; L113-L122 HydrophobicContact CD1-CD1 4.4Å; L113-L122 HydrophobicContact CD1-CD2 3.95Å; L113-L138 HydrophobicContact CB-CD2 4.4Å; L113-L138 HydrophobicContact CD1-CD1 4.15Å | ||
| 114 | T | 93 | Very high | 95.7 | Very high | 73 Ų | 73 | 45.8 Ų | 45.8 | 45% | 0.448 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.2 | -172.4 | -42.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 115 | F | 93.2 | Very high | 95.8 | Very high | 99 Ų | 99 | 43.6 Ų | 43.6 | 43% | 0.434 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6.7 | -177.5 | -60.8 | -73.2 | 0 | 0 | 0 | 114 | N92 L113 Y117 | N92-F115 HydrophobicContact CB-CD2 3.94Å; N92-F115 HydrophobicContact CB-CE2 4.39Å; L113-F115 PolarHBondContact O-N 3.2Å; L113-F115 VanDerWaalsContact O-N 3.12Å; F115-Y117 VanDerWaalsContact C-N 3.28Å; F115-Y117 WeakPolarHBondContact O-CD1 3.21Å; F115-Y117 WeakPolarHBondContact O-CE1 3.08Å; F115-Y117 PolarHBondContact O-N 3.36Å |
| 116 | N | 94.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -94 | 47.6 | -176.5 | -49.5 | 97.3 | 0 | 0 | 0 | 111.2 | L91 C94 L113 K118 L119 L138 | L91-N116 PolarHBondContact O-ND2 3.07Å; C94-N116 PolarHBondContact O-ND2 3.43Å; L113-N116 WeakPolarHBondContact CA-OD1 3.32Å; L113-N116 PolarHBondContact O-N 3.1Å; L113-N116 VanDerWaalsContact O-N 3.09Å; N116-K118 PolarHBondContact O-N 2.87Å; N116-L119 HydrophobicContact CB-CD1 3.63Å; N116-L119 HydrophobicContact CB-CG 4Å; N116-L119 WeakPolarHBondContact O-CB 3.49Å; N116-L119 WeakPolarHBondContact O-CG 3.29Å; N116-L119 PolarHBondContact O-N 3.38Å; N116-L119 VanDerWaalsContact O-N 3.1Å; N116-L138 WeakPolarHBondContact O-CD2 3.47Å | ||
| 117 | Y | 93.5 | Very high | 96 | Very high | 118 Ų | 118 | 45.2 Ų | 45.2 | 46% | 0.463 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -9.6 | -174.1 | 55.2 | -94.7 | 0 | 0 | 0 | 114.8 | F115 | F115-Y117 VanDerWaalsContact C-N 3.28Å; F115-Y117 WeakPolarHBondContact O-CD1 3.21Å; F115-Y117 WeakPolarHBondContact O-CE1 3.08Å; F115-Y117 PolarHBondContact O-N 3.36Å |
| 118 | K | 96.5 | Very high | 95.9 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.2 | 176 | -65.4 | -166.7 | -179.2 | -174 | 0 | 114.4 | L97 T98 N116 E120 | L97-K118 CarbonylContact O-C 3.59Å; L97-K118 WeakPolarHBondContact O-CB 3.49Å; T98-K118 HydrophobicContact CG2-CB 4.47Å; N116-K118 PolarHBondContact O-N 2.87Å; K118-E120 PolarHBondContact O-N 3.15Å |
| 119 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -58.7 | 127.3 | -179.4 | -84.1 | 169.2 | 0 | 0 | 0 | 112.1 | L97 L100 L113 N116 L138 L140 L141 | L97-L119 HydrophobicContact CB-CD2 4.39Å; L97-L119 HydrophobicContact CD2-CD2 3.81Å; L97-L119 PolarHBondContact O-N 3.24Å; L97-L119 VanDerWaalsContact O-N 3.16Å; L100-L119 HydrophobicContact CB-CD2 3.72Å; L113-L119 HydrophobicContact CD2-CD1 4.17Å; N116-L119 HydrophobicContact CB-CD1 3.63Å; N116-L119 HydrophobicContact CB-CG 4Å; N116-L119 WeakPolarHBondContact O-CB 3.49Å; N116-L119 WeakPolarHBondContact O-CG 3.29Å; N116-L119 PolarHBondContact O-N 3.38Å; N116-L119 VanDerWaalsContact O-N 3.1Å; L119-L138 HydrophobicContact CB-CD2 4.26Å; L119-L138 HydrophobicContact CD1-CD1 4.21Å; L119-L138 HydrophobicContact CD1-CD2 3.94Å; L119-L140 CarbonylContact O-C 3.18Å; L119-L140 VanDerWaalsContact O-C 3.3Å; L119-L141 WeakPolarHBondContact O-CA 3.45Å; L119-L141 PolarHBondContact O-N 3.42Å | ||
| 120 | E | 98.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | trans | -110 | -32 | 172.2 | -60 | -164.6 | 163.4 | 0 | 0 | 111.6 | T98 K118 K142 Q143 | T98-E120 PolarHBondContact O-N 3.21Å; K118-E120 PolarHBondContact O-N 3.15Å; E120-K142 HydrophobicContact CB-CD 4.43Å; E120-K142 PolarHBondContact O-N 2.85Å; E120-K142 IonicContact OE1-NZ 3.7Å; E120-K142 PolarHBondContact OE1-NZ 2.8Å; E120-K142 WeakPolarHBondContact OE2-CE 3.29Å; E120-K142 IonicContact OE2-NZ 2.74Å; E120-K142 PolarHBondContact OE2-NZ 3.19Å; E120-Q143 PolarHBondContact O-N 3.27Å | ||
| 121 | Y | 98.5 | Very high | 95.8 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 26% | 0.263 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.5 | -178.9 | -58.8 | -98.9 | 0 | 0 | 0 | 110.8 | T98 E99 L100 Q143 | T98-Y121 PolarHBondContact O-N 3.19Å; E99-Y121 HydrophobicContact CG-CD2 3.68Å; E99-Y121 HydrophobicContact CG-CE2 4.48Å; E99-Y121 HydrophobicContact CG-CG 4.17Å; L100-Y121 PolarHBondContact N-O 2.72Å; Y121-Q143 HydrophobicContact CD1-CB 3.64Å; Y121-Q143 HydrophobicContact CD1-CG 4.27Å; Y121-Q143 VanDerWaalsContact CD1-OE1 3.31Å; Y121-Q143 HydrophobicContact CE1-CB 4.04Å; Y121-Q143 VanDerWaalsContact CE1-OE1 3.28Å; Y121-Q143 HydrophobicContact CG-CB 4.47Å |
| 122 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 112.9 | 175.4 | 179.1 | 59 | 0 | 0 | 0 | 110.3 | L100 L113 L124 L135 L138 L141 Q143 L144 N145 | L100-L122 HydrophobicContact CB-CD1 4.05Å; L100-L122 HydrophobicContact CD2-CD1 3.85Å; L100-L122 HydrophobicContact CG-CD1 3.99Å; L100-L122 WeakPolarHBondContact O-CA 3.31Å; L113-L122 HydrophobicContact CD1-CD1 4.4Å; L113-L122 HydrophobicContact CD1-CD2 3.95Å; L122-L124 HydrophobicContact CD1-CD1 4.05Å; L122-L124 HydrophobicContact CD1-CG 4.07Å; L122-L124 HydrophobicContact CD2-CD1 3.88Å; L122-L124 HydrophobicContact CG-CD1 3.84Å; L122-L124 HydrophobicContact CG-CG 4.17Å; L122-L135 HydrophobicContact CD2-CD2 4.23Å; L122-L138 HydrophobicContact CD2-CD1 4.14Å; L122-L141 HydrophobicContact CB-CD1 3.75Å; L122-Q143 PolarHBondContact N-O 3.29Å; L122-L144 HydrophobicContact CB-CD1 4.11Å; L122-L144 HydrophobicContact CD2-CD1 3.97Å; L122-L144 HydrophobicContact CG-CD1 4.05Å; L122-L144 WeakPolarHBondContact O-CA 3.19Å; L122-N145 PolarHBondContact O-N 2.93Å |
| 123 | W | 98.4 | Very high | 95.9 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 24% | 0.242 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121 | 178.3 | -73.7 | 25.1 | 0 | 0 | 0 | 110.7 | L100 Y101 L102 Y103 Q143 N145 | L100-W123 PolarHBondContact O-N 3.22Å; Y101-W123 HydrophobicContact CD1-CB 3.68Å; Y101-W123 AromaticContact CD1-CD2 3.46Å; Y101-W123 HydrophobicContact CD1-CD2 3.46Å; Y101-W123 VanDerWaalsContact CD1-CD2 3.46Å; Y101-W123 AromaticContact CD1-CE3 3.53Å; Y101-W123 HydrophobicContact CD1-CE3 3.53Å; Y101-W123 AromaticContact CD1-CG 3.56Å; Y101-W123 HydrophobicContact CD1-CG 3.56Å; Y101-W123 HydrophobicContact CD1-CZ3 4.25Å; Y101-W123 HydrophobicContact CE1-CB 4.33Å; Y101-W123 AromaticContact CE1-CD2 3.38Å; Y101-W123 HydrophobicContact CE1-CD2 3.38Å; Y101-W123 AromaticContact CE1-CE2 3.57Å; Y101-W123 AromaticContact CE1-CE3 3.67Å; Y101-W123 HydrophobicContact CE1-CE3 3.67Å; Y101-W123 AromaticContact CE1-CG 3.71Å; Y101-W123 HydrophobicContact CE1-CG 3.71Å; Y101-W123 HydrophobicContact CE1-CH2 4.23Å; Y101-W123 HydrophobicContact CE1-CZ2 4Å; Y101-W123 HydrophobicContact CE1-CZ3 4.08Å; Y101-W123 AromaticContact CE1-NE1 3.97Å; Y101-W123 HydrophobicContact CG-CB 4.38Å; L102-W123 WeakPolarHBondContact CA-O 3.49Å; L102-W123 PolarHBondContact N-O 2.82Å; Y103-W123 HydrophobicContact CD1-CE3 4.21Å; W123-Q143 VanDerWaalsContact NE1-NE2 3.19Å; W123-N145 HydrophobicContact CB-CB 4.14Å; W123-N145 HydrophobicContact CD2-CB 4.15Å; W123-N145 HydrophobicContact CG-CB 3.71Å |
| 124 | L | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -132 | 20.3 | -175.4 | -72.4 | 163.6 | 0 | 0 | 0 | 110.7 | I88 L102 I107 I110 L122 N127 I129 N145 L146 N149 | I88-L124 HydrophobicContact CD1-CD2 3.97Å; L102-L124 HydrophobicContact CB-CD2 3.81Å; L102-L124 HydrophobicContact CD1-CD2 3.89Å; I107-L124 HydrophobicContact CD1-CD2 4.02Å; I110-L124 HydrophobicContact CD1-CD1 4.15Å; I110-L124 HydrophobicContact CG1-CD1 4Å; L122-L124 HydrophobicContact CD1-CD1 4.05Å; L122-L124 HydrophobicContact CD1-CG 4.07Å; L122-L124 HydrophobicContact CD2-CD1 3.88Å; L122-L124 HydrophobicContact CG-CD1 3.84Å; L122-L124 HydrophobicContact CG-CG 4.17Å; L124-N127 WeakPolarHBondContact O-CB 3.43Å; L124-N127 PolarHBondContact O-ND2 2.81Å; L124-I129 HydrophobicContact CB-CD1 3.81Å; L124-I129 HydrophobicContact CD1-CD1 3.95Å; L124-I129 HydrophobicContact CD2-CD1 4.3Å; L124-I129 HydrophobicContact CG-CD1 4.25Å; L124-N145 CarbonylContact C-O 3.57Å; L124-N145 WeakPolarHBondContact CA-O 3.5Å; L124-N145 PolarHBondContact N-O 3.13Å; L124-L146 HydrophobicContact CB-CD2 4.09Å; L124-L146 HydrophobicContact CD1-CD2 4.15Å; L124-N149 PolarHBondContact O-ND2 3.17Å | ||
| 125 | N | 96.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.064 | 21% | 0.21 | C | C | . | . | trans | -63.2 | 153.6 | -179.8 | 49.6 | -68.9 | 0 | 0 | 0 | 112.7 | Y103 D104 N127 N145 S147 | Y103-N125 CarbonylContact C-O 3.57Å; Y103-N125 WeakPolarHBondContact CA-O 3.45Å; Y103-N125 VanDerWaalsContact CB-ND2 3.32Å; Y103-N125 WeakPolarHBondContact CB-ND2 3.21Å; Y103-N125 WeakPolarHBondContact CB-O 3.01Å; Y103-N125 VanDerWaalsContact CB-OD1 3.24Å; Y103-N125 WeakPolarHBondContact CB-OD1 3.28Å; D104-N125 PolarHBondContact N-O 3.06Å; N125-N127 PolarHBondContact O-ND2 3.3Å; N125-N145 WeakPolarHBondContact CB-OD1 3.26Å; N125-N145 PolarHBondContact N-O 3.25Å; N125-N145 PolarHBondContact OD1-ND2 3.13Å; N125-S147 CarbonylContact C-O 3.26Å; N125-S147 WeakPolarHBondContact CA-O 3.39Å; N125-S147 WeakPolarHBondContact CB-O 3.46Å | ||
| 126 | N | 96 | Very high | 95.9 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 34% | 0.342 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 54 | 59.7 | -176.5 | -61.1 | -31.5 | 0 | 0 | 0 | 111.9 | D104 N105 S147 G148 Y199 | D104-N126 WeakPolarHBondContact CA-O 3.24Å; D104-N126 HydrophobicContact CB-CB 4.22Å; D104-N126 PolarHBondContact N-O 3.14Å; N105-N126 PolarHBondContact N-O 3.06Å; N105-N126 VanDerWaalsContact N-O 3.13Å; N126-S147 PolarHBondContact N-O 3.31Å; N126-G148 VanDerWaalsContact CA-O 3.31Å; N126-G148 WeakPolarHBondContact CA-O 3.49Å; N126-G148 PolarHBondContact N-O 3.3Å; N126-Y199 VanDerWaalsContact OD1-CE1 3.29Å; N126-Y199 WeakPolarHBondContact OD1-CE1 3.45Å |
| 127 | N | 96.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -133 | -164.5 | 175.4 | -86 | -78.5 | 0 | 0 | 0 | 109.2 | L102 N105 S106 I107 L124 N125 I129 G148 N149 | L102-N127 PolarHBondContact O-ND2 2.95Å; N105-N127 WeakPolarHBondContact CA-OD1 3.49Å; N105-N127 WeakPolarHBondContact CB-OD1 3.42Å; N105-N127 PolarHBondContact O-OD1 2.85Å; S106-N127 PolarHBondContact N-OD1 3.41Å; I107-N127 HydrophobicContact CB-CB 4.27Å; I107-N127 WeakPolarHBondContact CB-OD1 3.49Å; I107-N127 WeakPolarHBondContact CG1-OD1 3.39Å; I107-N127 PolarHBondContact N-OD1 2.92Å; L124-N127 WeakPolarHBondContact O-CB 3.43Å; L124-N127 PolarHBondContact O-ND2 2.81Å; N125-N127 PolarHBondContact O-ND2 3.3Å; N127-I129 HydrophobicContact CB-CD1 4.5Å; N127-I129 HydrophobicContact CB-CG1 4.41Å; N127-G148 PolarHBondContact N-O 2.83Å; N127-N149 WeakPolarHBondContact CA-OD1 3.36Å; N127-N149 WeakPolarHBondContact CB-OD1 3.4Å; N127-N149 PolarHBondContact N-OD1 2.68Å; N127-N149 PolarHBondContact O-OD1 3.3Å |
| 128 | Q | 95.9 | Very high | 95.9 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | trans | -115.8 | 29.9 | -177.5 | -56.4 | -173.2 | -12.8 | 0 | 0 | 112.7 | I107 K108 N149 Y150 | I107-Q128 CarbonylContact O-C 3.5Å; I107-Q128 VanDerWaalsContact O-C 3.29Å; I107-Q128 VanDerWaalsContact O-CA 3.32Å; I107-Q128 WeakPolarHBondContact O-CA 3.43Å; I107-Q128 PolarHBondContact O-N 3.13Å; K108-Q128 HydrophobicContact CG-CB 4.04Å; Q128-N149 PolarHBondContact N-OD1 3.36Å; Q128-Y150 HydrophobicContact CB-CD2 4.29Å; Q128-Y150 HydrophobicContact CB-CE2 4.13Å; Q128-Y150 HydrophobicContact CG-CE2 4.13Å | ||
| 129 | I | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -74.9 | 131.3 | -175.6 | -60.7 | 167.3 | 0 | 0 | 0 | 110.5 | I107 I110 L124 N127 L131 L146 N149 Y150 I151 | I107-I129 PolarHBondContact O-N 3.22Å; I110-I129 HydrophobicContact CD1-CD1 4.44Å; I110-I129 HydrophobicContact CD1-CG2 4.43Å; I110-I129 HydrophobicContact CG1-CD1 3.9Å; I110-I129 HydrophobicContact CG1-CG2 4.23Å; L124-I129 HydrophobicContact CB-CD1 3.81Å; L124-I129 HydrophobicContact CD1-CD1 3.95Å; L124-I129 HydrophobicContact CD2-CD1 4.3Å; L124-I129 HydrophobicContact CG-CD1 4.25Å; N127-I129 HydrophobicContact CB-CD1 4.5Å; N127-I129 HydrophobicContact CB-CG1 4.41Å; I129-L131 WeakPolarHBondContact CG2-O 3.26Å; I129-L146 HydrophobicContact CD1-CD2 4.09Å; I129-N149 HydrophobicContact CB-CB 4.21Å; I129-N149 VanDerWaalsContact CB-OD1 3.32Å; I129-N149 WeakPolarHBondContact CB-OD1 3.49Å; I129-N149 WeakPolarHBondContact CG1-OD1 3.29Å; I129-N149 PolarHBondContact N-OD1 2.8Å; I129-Y150 CarbonylContact O-C 3.2Å; I129-Y150 VanDerWaalsContact O-C 3.32Å; I129-Y150 WeakPolarHBondContact O-CA 3.47Å; I129-Y150 PolarHBondContact O-N 2.97Å; I129-I151 HydrophobicContact CG2-CD1 4.5Å; I129-I151 HydrophobicContact CG2-CG1 4.34Å; I129-I151 PolarHBondContact O-N 3Å | ||
| 130 | Q | 94.1 | Very high | 95.7 | Very high | 132 Ų | 132 | 49.4 Ų | 49.4 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | trans | -107.8 | -27.8 | 177.9 | -68.1 | 177.4 | -13.3 | 0 | 0 | 113.6 | ||||
| 131 | L | 93 | Very high | 95.6 | Very high | 101 Ų | 101 | 46.9 Ų | 46.9 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | trans | -129.7 | 138.8 | -174.8 | -68.4 | 171.6 | 0 | 0 | 0 | 111.1 | I129 E133 | I129-L131 WeakPolarHBondContact CG2-O 3.26Å; L131-E133 PolarHBondContact O-N 2.85Å | ||
| 132 | I | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -84.6 | 109.7 | 169.5 | -56.3 | 174.3 | 0 | 0 | 0 | 108 | L135 L146 I151 L154 N155 N157 L158 | I132-L135 HydrophobicContact CG2-CD1 3.52Å; I132-L135 HydrophobicContact CG2-CG 4.4Å; I132-L146 HydrophobicContact CD1-CD1 4.09Å; I132-L146 HydrophobicContact CG1-CD1 4.08Å; I132-I151 HydrophobicContact CD1-CD1 4.32Å; I132-I151 HydrophobicContact CD1-CG2 4.26Å; I132-I151 HydrophobicContact CG1-CD1 3.92Å; I132-I151 HydrophobicContact CG1-CG2 4.22Å; I132-L154 HydrophobicContact CD1-CD2 3.72Å; I132-N155 PolarHBondContact O-ND2 2.9Å; I132-N155 PolarHBondContact O-OD1 3.22Å; I132-N155 VanDerWaalsContact O-OD1 3.1Å; I132-N157 HydrophobicContact CG2-CB 4.34Å; I132-N157 PolarHBondContact O-ND2 3.38Å; I132-L158 HydrophobicContact CD1-CD1 3.96Å; I132-L158 HydrophobicContact CD1-CD2 4.41Å; I132-L158 HydrophobicContact CD1-CG 4.18Å; I132-L158 HydrophobicContact CG2-CD2 4.09Å; I132-L158 HydrophobicContact CG2-CG 4.11Å | ||
| 133 | E | 95 | Very high | 95.6 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | trans | -149.3 | 167.7 | -176.3 | 58.6 | 177.5 | 140.2 | 0 | 0 | 111.5 | K109 L131 L135 | K109-E133 WeakPolarHBondContact CE-OE1 3.17Å; K109-E133 WeakPolarHBondContact CE-OE2 3.14Å; K109-E133 VanDerWaalsContact CG-OE1 3.31Å; K109-E133 WeakPolarHBondContact CG-OE1 3.32Å; K109-E133 IonicContact NZ-OE2 2.77Å; K109-E133 PolarHBondContact NZ-OE2 3.18Å; L131-E133 PolarHBondContact O-N 2.85Å; E133-L135 PolarHBondContact O-N 2.62Å; E133-L135 VanDerWaalsContact O-N 3.17Å | ||
| 134 | N | 93.2 | Very high | 95.6 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.342 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 59.2 | 25.9 | 175.8 | -53.5 | -49.3 | 0 | 0 | 0 | 115.5 | I110 | I110-N134 WeakPolarHBondContact O-CB 3.46Å; I110-N134 PolarHBondContact O-ND2 2.9Å |
| 135 | L | 94 | Very high | 95.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -95.1 | -4.7 | 177 | -61.5 | -177.6 | 0 | 0 | 0 | 114.3 | I110 L122 I132 E133 H137 L138 L144 L158 N161 | I110-L135 HydrophobicContact CD1-CD2 4.43Å; I110-L135 HydrophobicContact CG2-CD2 3.96Å; L122-L135 HydrophobicContact CD2-CD2 4.23Å; I132-L135 HydrophobicContact CG2-CD1 3.52Å; I132-L135 HydrophobicContact CG2-CG 4.4Å; E133-L135 PolarHBondContact O-N 2.62Å; E133-L135 VanDerWaalsContact O-N 3.17Å; L135-H137 PolarHBondContact O-N 3.29Å; L135-H137 VanDerWaalsContact O-N 3.11Å; L135-L138 HydrophobicContact CD2-CD1 3.95Å; L135-L138 PolarHBondContact O-N 3.27Å; L135-L144 HydrophobicContact CD1-CD2 3.84Å; L135-L158 HydrophobicContact CD1-CD2 4.29Å; L135-N161 WeakPolarHBondContact CB-OD1 3.24Å; L135-N161 PolarHBondContact O-ND2 2.74Å; L135-N161 VanDerWaalsContact O-ND2 3.1Å | ||
| 136 | N | 93.4 | Very high | 95.7 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24 | -174.1 | 60.7 | -50.7 | 0 | 0 | 0 | 114.6 | Y160 | N136-Y160 HydrophobicContact CB-CD1 4.26Å; N136-Y160 HydrophobicContact CB-CD2 3.72Å; N136-Y160 HydrophobicContact CB-CE2 4.07Å; N136-Y160 HydrophobicContact CB-CG 3.85Å |
| 137 | H | 92.6 | Very high | 95.7 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 38% | 0.384 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -18.5 | 178.5 | -59.3 | -76.1 | 0 | 0 | 0 | 113.3 | L135 K139 | L135-H137 PolarHBondContact O-N 3.29Å; L135-H137 VanDerWaalsContact O-N 3.11Å; H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 3.35Å; H137-K139 VanDerWaalsContact O-N 3.07Å |
| 138 | L | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | trans | -89.3 | 59 | -172.3 | -52.5 | -174.1 | 0 | 0 | 0 | 112.1 | L113 N116 L119 L122 L135 L140 L141 N161 | L113-L138 HydrophobicContact CB-CD2 4.4Å; L113-L138 HydrophobicContact CD1-CD1 4.15Å; N116-L138 WeakPolarHBondContact O-CD2 3.47Å; L119-L138 HydrophobicContact CB-CD2 4.26Å; L119-L138 HydrophobicContact CD1-CD1 4.21Å; L119-L138 HydrophobicContact CD1-CD2 3.94Å; L122-L138 HydrophobicContact CD2-CD1 4.14Å; L135-L138 HydrophobicContact CD2-CD1 3.95Å; L135-L138 PolarHBondContact O-N 3.27Å; L138-L140 PolarHBondContact O-N 2.94Å; L138-L141 HydrophobicContact CB-CB 4.29Å; L138-L141 VanDerWaalsContact O-CB 3.31Å; L138-L141 WeakPolarHBondContact O-CB 3.49Å; L138-L141 PolarHBondContact O-N 3.05Å; L138-N161 PolarHBondContact O-ND2 2.79Å | ||
| 139 | K | 93.9 | Very high | 95.8 | Very high | 144 Ų | 144 | 38.7 Ų | 38.7 | 63% | 0.626 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.5 | -172.3 | -63.4 | -175.1 | 180 | -178.6 | 0 | 114.8 | H137 K163 | H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 3.35Å; H137-K139 VanDerWaalsContact O-N 3.07Å; K139-K163 WeakPolarHBondContact O-CG 3Å |
| 140 | L | 96.4 | Very high | 95.6 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 42% | 0.419 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.8 | 179.5 | -61.4 | -177.6 | 0 | 0 | 0 | 113.5 | L119 L138 K142 | L119-L140 CarbonylContact O-C 3.18Å; L119-L140 VanDerWaalsContact O-C 3.3Å; L138-L140 PolarHBondContact O-N 2.94Å; L140-K142 PolarHBondContact O-N 2.77Å |
| 141 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -61.2 | 118.8 | -176.7 | -165.1 | 71.5 | 0 | 0 | 0 | 110.9 | L119 L122 L138 L144 N161 K163 L164 | L119-L141 WeakPolarHBondContact O-CA 3.45Å; L119-L141 PolarHBondContact O-N 3.42Å; L122-L141 HydrophobicContact CB-CD1 3.75Å; L138-L141 HydrophobicContact CB-CB 4.29Å; L138-L141 VanDerWaalsContact O-CB 3.31Å; L138-L141 WeakPolarHBondContact O-CB 3.49Å; L138-L141 PolarHBondContact O-N 3.05Å; L141-L144 HydrophobicContact CD2-CB 4.04Å; L141-L144 HydrophobicContact CD2-CD1 4.35Å; L141-L144 HydrophobicContact CD2-CD2 4.29Å; L141-L144 HydrophobicContact CD2-CG 4.46Å; L141-N161 HydrophobicContact CB-CB 4.46Å; L141-K163 CarbonylContact O-C 3.25Å; L141-L164 HydrophobicContact CD2-CD1 4.26Å; L141-L164 HydrophobicContact CG-CD1 4.21Å; L141-L164 VanDerWaalsContact O-CA 3.32Å; L141-L164 WeakPolarHBondContact O-CA 3.48Å; L141-L164 PolarHBondContact O-N 2.96Å; L141-L164 VanDerWaalsContact O-N 3.12Å | ||
| 142 | K | 98 | Very high | 95.4 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 27% | 0.274 | 17% | 0.174 | S | C | . | . | trans | -101.1 | -33.7 | 178 | -65.9 | 177 | -172 | 158.3 | 0 | 112.2 | E120 L140 K163 E165 Q166 | E120-K142 HydrophobicContact CB-CD 4.43Å; E120-K142 PolarHBondContact O-N 2.85Å; E120-K142 IonicContact OE1-NZ 3.7Å; E120-K142 PolarHBondContact OE1-NZ 2.8Å; E120-K142 WeakPolarHBondContact OE2-CE 3.29Å; E120-K142 IonicContact OE2-NZ 2.74Å; E120-K142 PolarHBondContact OE2-NZ 3.19Å; L140-K142 PolarHBondContact O-N 2.77Å; K142-K163 WeakPolarHBondContact CA-O 3.41Å; K142-E165 PolarHBondContact O-N 3.25Å; K142-Q166 PolarHBondContact O-N 3.44Å | ||
| 143 | Q | 98.3 | Very high | 95.1 | Very high | 19 Ų | 19 | 40 Ų | 40 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.7 | -178.2 | -177.3 | 167.9 | -1.1 | 0 | 0 | 111.4 | E120 Y121 L122 W123 Q166 F168 | E120-Q143 PolarHBondContact O-N 3.27Å; Y121-Q143 HydrophobicContact CD1-CB 3.64Å; Y121-Q143 HydrophobicContact CD1-CG 4.27Å; Y121-Q143 VanDerWaalsContact CD1-OE1 3.31Å; Y121-Q143 HydrophobicContact CE1-CB 4.04Å; Y121-Q143 VanDerWaalsContact CE1-OE1 3.28Å; Y121-Q143 HydrophobicContact CG-CB 4.47Å; L122-Q143 PolarHBondContact N-O 3.29Å; W123-Q143 VanDerWaalsContact NE1-NE2 3.19Å; Q143-Q166 WeakPolarHBondContact CA-O 3.3Å; Q143-Q166 HydrophobicContact CB-CB 4.43Å; Q143-Q166 HydrophobicContact CG-CB 4.11Å; Q143-F168 HydrophobicContact CG-CD2 4.4Å; Q143-F168 HydrophobicContact CG-CE2 3.83Å |
| 144 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.6 | 177 | 179.1 | 57.2 | 0 | 0 | 0 | 109.6 | L122 L135 L141 L146 L158 L164 Q166 L167 F168 | L122-L144 HydrophobicContact CB-CD1 4.11Å; L122-L144 HydrophobicContact CD2-CD1 3.97Å; L122-L144 HydrophobicContact CG-CD1 4.05Å; L122-L144 WeakPolarHBondContact O-CA 3.19Å; L135-L144 HydrophobicContact CD1-CD2 3.84Å; L141-L144 HydrophobicContact CD2-CB 4.04Å; L141-L144 HydrophobicContact CD2-CD1 4.35Å; L141-L144 HydrophobicContact CD2-CD2 4.29Å; L141-L144 HydrophobicContact CD2-CG 4.46Å; L144-L146 HydrophobicContact CD1-CD1 4.31Å; L144-L146 HydrophobicContact CD1-CD2 4.34Å; L144-L146 HydrophobicContact CD1-CG 4.04Å; L144-L146 HydrophobicContact CD2-CD1 3.79Å; L144-L146 HydrophobicContact CD2-CG 4.39Å; L144-L146 HydrophobicContact CG-CD1 3.92Å; L144-L146 HydrophobicContact CG-CG 3.97Å; L144-L158 HydrophobicContact CD2-CD2 3.82Å; L144-L164 HydrophobicContact CB-CD1 3.76Å; L144-Q166 PolarHBondContact N-O 2.98Å; L144-Q166 VanDerWaalsContact N-O 3.09Å; L144-L167 HydrophobicContact CB-CD1 4.17Å; L144-L167 HydrophobicContact CD2-CD1 4.17Å; L144-L167 HydrophobicContact CG-CD1 4.21Å; L144-F168 PolarHBondContact O-N 3.23Å |
| 145 | N | 98 | Very high | 94.6 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.4 | 175.1 | -169.4 | -10.3 | 0 | 0 | 0 | 111 | L122 W123 L124 N125 S147 F168 | L122-N145 PolarHBondContact O-N 2.93Å; W123-N145 HydrophobicContact CB-CB 4.14Å; W123-N145 HydrophobicContact CD2-CB 4.15Å; W123-N145 HydrophobicContact CG-CB 3.71Å; L124-N145 CarbonylContact C-O 3.57Å; L124-N145 WeakPolarHBondContact CA-O 3.5Å; L124-N145 PolarHBondContact N-O 3.13Å; N125-N145 WeakPolarHBondContact CB-OD1 3.26Å; N125-N145 PolarHBondContact N-O 3.25Å; N125-N145 PolarHBondContact OD1-ND2 3.13Å; N145-S147 WeakPolarHBondContact OD1-CB 3.26Å; N145-S147 PolarHBondContact OD1-N 3.2Å; N145-S147 PolarHBondContact OD1-OG 2.85Å; N145-F168 HydrophobicContact CB-CB 4.08Å; N145-F168 HydrophobicContact CB-CD2 4.1Å; N145-F168 HydrophobicContact CB-CG 4.26Å; N145-F168 VanDerWaalsContact OD1-CB 3.28Å; N145-F168 WeakPolarHBondContact OD1-CB 3.43Å |
| 146 | L | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -123.3 | 15.4 | 179.6 | -67.7 | 167.8 | 0 | 0 | 0 | 111.3 | I110 L124 I129 I132 L144 N149 I151 F168 I169 N172 | I110-L146 HydrophobicContact CD1-CD2 4.1Å; L124-L146 HydrophobicContact CB-CD2 4.09Å; L124-L146 HydrophobicContact CD1-CD2 4.15Å; I129-L146 HydrophobicContact CD1-CD2 4.09Å; I132-L146 HydrophobicContact CD1-CD1 4.09Å; I132-L146 HydrophobicContact CG1-CD1 4.08Å; L144-L146 HydrophobicContact CD1-CD1 4.31Å; L144-L146 HydrophobicContact CD1-CD2 4.34Å; L144-L146 HydrophobicContact CD1-CG 4.04Å; L144-L146 HydrophobicContact CD2-CD1 3.79Å; L144-L146 HydrophobicContact CD2-CG 4.39Å; L144-L146 HydrophobicContact CG-CD1 3.92Å; L144-L146 HydrophobicContact CG-CG 3.97Å; L146-N149 PolarHBondContact O-ND2 3.15Å; L146-I151 HydrophobicContact CB-CD1 3.87Å; L146-I151 HydrophobicContact CD1-CD1 3.87Å; L146-I151 HydrophobicContact CD2-CD1 4.32Å; L146-I151 HydrophobicContact CG-CD1 4.25Å; L146-F168 CarbonylContact C-O 3.24Å; L146-F168 WeakPolarHBondContact CA-O 3.28Å; L146-F168 PolarHBondContact N-O 3.49Å; L146-I169 HydrophobicContact CB-CG2 4.44Å; L146-N172 PolarHBondContact O-ND2 3.33Å | ||
| 147 | S | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -63 | 145.2 | -177.3 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | N125 N126 N145 F168 I169 S170 E196 | N125-S147 CarbonylContact C-O 3.26Å; N125-S147 WeakPolarHBondContact CA-O 3.39Å; N125-S147 WeakPolarHBondContact CB-O 3.46Å; N126-S147 PolarHBondContact N-O 3.31Å; N145-S147 WeakPolarHBondContact OD1-CB 3.26Å; N145-S147 PolarHBondContact OD1-N 3.2Å; N145-S147 PolarHBondContact OD1-OG 2.85Å; S147-F168 PolarHBondContact N-O 3.31Å; S147-F168 WeakPolarHBondContact OG-CB 3.45Å; S147-I169 PolarHBondContact OG-N 3.03Å; S147-S170 CarbonylContact C-O 3.29Å; S147-S170 WeakPolarHBondContact CA-O 3.26Å; S147-S170 WeakPolarHBondContact CB-O 3.24Å; S147-S170 PolarHBondContact OG-N 3.25Å; S147-S170 VanDerWaalsContact OG-N 3.1Å; S147-E196 PolarHBondContact OG-OE2 3.07Å; S147-E196 VanDerWaalsContact OG-OE2 3.11Å | ||
| 148 | G | 96.1 | Very high | 93.8 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 69.1 | 39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | N126 N127 S170 | N126-G148 VanDerWaalsContact CA-O 3.31Å; N126-G148 WeakPolarHBondContact CA-O 3.49Å; N126-G148 PolarHBondContact N-O 3.3Å; N127-G148 PolarHBondContact N-O 2.83Å; G148-S170 PolarHBondContact N-O 3.44Å |
| 149 | N | 96.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -115.9 | -166.7 | 172.8 | -80.5 | -80.6 | 0 | 0 | 0 | 109.9 | L124 N127 Q128 I129 L146 I151 N172 | L124-N149 PolarHBondContact O-ND2 3.17Å; N127-N149 WeakPolarHBondContact CA-OD1 3.36Å; N127-N149 WeakPolarHBondContact CB-OD1 3.4Å; N127-N149 PolarHBondContact N-OD1 2.68Å; N127-N149 PolarHBondContact O-OD1 3.3Å; Q128-N149 PolarHBondContact N-OD1 3.36Å; I129-N149 HydrophobicContact CB-CB 4.21Å; I129-N149 VanDerWaalsContact CB-OD1 3.32Å; I129-N149 WeakPolarHBondContact CB-OD1 3.49Å; I129-N149 WeakPolarHBondContact CG1-OD1 3.29Å; I129-N149 PolarHBondContact N-OD1 2.8Å; L146-N149 PolarHBondContact O-ND2 3.15Å; N149-I151 HydrophobicContact CB-CD1 4.47Å; N149-I151 HydrophobicContact CB-CG1 4.35Å; N149-N172 WeakPolarHBondContact CA-OD1 3.36Å; N149-N172 WeakPolarHBondContact CB-OD1 3.46Å; N149-N172 WeakPolarHBondContact O-CA 3.44Å; N149-N172 PolarHBondContact O-OD1 2.92Å |
| 150 | Y | 94.7 | Very high | 93.3 | Very high | 121 Ų | 121 | 36.9 Ų | 36.9 | 48% | 0.475 | 18% | 0.181 | S | C | . | . | trans | -115.4 | 34.4 | -179.1 | -57.3 | -72.2 | 0 | 0 | 0 | 112.2 | Q128 I129 E152 N172 | Q128-Y150 HydrophobicContact CB-CD2 4.29Å; Q128-Y150 HydrophobicContact CB-CE2 4.13Å; Q128-Y150 HydrophobicContact CG-CE2 4.13Å; I129-Y150 CarbonylContact O-C 3.2Å; I129-Y150 VanDerWaalsContact O-C 3.32Å; I129-Y150 WeakPolarHBondContact O-CA 3.47Å; I129-Y150 PolarHBondContact O-N 2.97Å; Y150-E152 PolarHBondContact O-N 3.03Å; Y150-N172 PolarHBondContact N-OD1 3.47Å | ||
| 151 | I | 94.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -74 | 119.9 | -177.6 | -59.8 | 167 | 0 | 0 | 0 | 109.9 | I129 I132 L146 N149 H153 N172 Q173 L174 | I129-I151 HydrophobicContact CG2-CD1 4.5Å; I129-I151 HydrophobicContact CG2-CG1 4.34Å; I129-I151 PolarHBondContact O-N 3Å; I132-I151 HydrophobicContact CD1-CD1 4.32Å; I132-I151 HydrophobicContact CD1-CG2 4.26Å; I132-I151 HydrophobicContact CG1-CD1 3.92Å; I132-I151 HydrophobicContact CG1-CG2 4.22Å; L146-I151 HydrophobicContact CB-CD1 3.87Å; L146-I151 HydrophobicContact CD1-CD1 3.87Å; L146-I151 HydrophobicContact CD2-CD1 4.32Å; L146-I151 HydrophobicContact CG-CD1 4.25Å; N149-I151 HydrophobicContact CB-CD1 4.47Å; N149-I151 HydrophobicContact CB-CG1 4.35Å; I151-H153 WeakPolarHBondContact CG2-O 3.45Å; I151-N172 HydrophobicContact CB-CB 4.22Å; I151-N172 VanDerWaalsContact CB-OD1 3.29Å; I151-N172 WeakPolarHBondContact CB-OD1 3.48Å; I151-N172 WeakPolarHBondContact CG1-OD1 3.49Å; I151-N172 PolarHBondContact N-OD1 3.06Å; I151-Q173 CarbonylContact O-C 3.52Å; I151-Q173 WeakPolarHBondContact O-CA 3.07Å; I151-Q173 PolarHBondContact O-N 3.11Å; I151-L174 HydrophobicContact CG2-CD2 4.14Å; I151-L174 PolarHBondContact O-N 2.86Å | ||
| 152 | E | 88.2 | Confident | 92.9 | Very high | 68 Ų | 68 | 37 Ų | 37 | 32% | 0.318 | 18% | 0.18 | S | C | . | . | trans | -87.5 | -32.6 | 175.9 | -66.8 | -170.4 | -170 | 0 | 0 | 112.7 | Y150 Q173 K561 | Y150-E152 PolarHBondContact O-N 3.03Å; E152-Q173 HydrophobicContact CG-CB 3.92Å; E152-K561 IonicContact OE1-NZ 2.62Å; E152-K561 PolarHBondContact OE1-NZ 3.31Å; E152-K561 IonicContact OE2-NZ 2.58Å; E152-K561 PolarHBondContact OE2-NZ 2.97Å | ||
| 153 | H | 87 | Confident | 92.8 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 32% | 0.324 | 19% | 0.191 | S | C | . | . | trans | -135 | 134.6 | -171.3 | -67.5 | -63.9 | 0 | 0 | 0 | 113.2 | I151 W175 D179 | I151-H153 WeakPolarHBondContact CG2-O 3.45Å; H153-W175 AromaticContact CE1-CE2 3.65Å; H153-W175 AromaticContact CE1-CZ2 3.63Å; H153-W175 AromaticContact CE1-NE1 3.39Å; H153-W175 PolarHBondContact CE1-NE1 3.05Å; H153-W175 AromaticContact NE2-NE1 3.69Å; H153-D179 VanDerWaalsContact CA-OD2 3.27Å; H153-D179 WeakPolarHBondContact CA-OD2 3.26Å; H153-D179 WeakPolarHBondContact CB-OD2 3.47Å; H153-D179 IonicContact CE1-OD2 2.83Å; H153-D179 IonicContact CG-OD2 3.71Å; H153-D179 IonicContact ND1-OD1 3.93Å; H153-D179 IonicContact ND1-OD2 3.23Å; H153-D179 PolarHBondContact ND1-OD2 3.27Å | ||
| 154 | L | 90 | Very high | 92.7 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -82.3 | 125.1 | 162.3 | -52.7 | 178.7 | 0 | 0 | 0 | 108.1 | I132 L158 I169 L174 D179 L180 I182 L183 | I132-L154 HydrophobicContact CD1-CD2 3.72Å; L154-L158 HydrophobicContact CB-CD1 4.29Å; L154-L158 HydrophobicContact CD2-CD1 4.2Å; L154-I169 HydrophobicContact CD1-CD1 4.1Å; L154-I169 HydrophobicContact CD2-CD1 4.39Å; L154-I169 HydrophobicContact CD2-CG2 4.39Å; L154-L174 HydrophobicContact CD2-CD1 4.29Å; L154-L174 HydrophobicContact CD2-CD2 4.03Å; L154-L174 HydrophobicContact CG-CD1 4.44Å; L154-L174 HydrophobicContact CG-CD2 4.01Å; L154-D179 HydrophobicContact CB-CB 3.94Å; L154-D179 HydrophobicContact CG-CB 4.34Å; L154-L180 HydrophobicContact CD1-CD2 3.74Å; L154-I182 VanDerWaalsContact O-CD1 3.31Å; L154-I182 WeakPolarHBondContact O-CD1 3.45Å; L154-L183 HydrophobicContact CD1-CD1 4.05Å; L154-L183 HydrophobicContact CD1-CD2 4.2Å; L154-L183 HydrophobicContact CD1-CG 4.15Å | ||
| 155 | N | 86.8 | Confident | 92.7 | Very high | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.214 | 20% | 0.202 | C | C | . | . | trans | -118.6 | 177.8 | -174.7 | 67.9 | 27.4 | 0 | 0 | 0 | 111.8 | I132 N157 L158 | I132-N155 PolarHBondContact O-ND2 2.9Å; I132-N155 PolarHBondContact O-OD1 3.22Å; I132-N155 VanDerWaalsContact O-OD1 3.1Å; N155-N157 PolarHBondContact O-N 3.25Å; N155-N157 VanDerWaalsContact O-N 3.11Å; N155-N157 VanDerWaalsContact OD1-CB 3.28Å; N155-N157 WeakPolarHBondContact OD1-CB 3.15Å; N155-N157 PolarHBondContact OD1-N 3.08Å; N155-N157 PolarHBondContact OD1-ND2 3.44Å; N155-L158 PolarHBondContact O-N 3.42Å | ||
| 156 | S | 84.6 | Confident | 92.7 | Very high | 73 Ų | 73 | 43.4 Ų | 43.4 | 51% | 0.51 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -66.1 | -10.5 | -176.5 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | L158 L159 | S156-L158 PolarHBondContact O-N 3.39Å; S156-L159 VanDerWaalsContact O-CB 3.25Å; S156-L159 WeakPolarHBondContact O-CB 3.5Å; S156-L159 WeakPolarHBondContact O-CG 3.26Å; S156-L159 PolarHBondContact O-N 3.49Å |
| 157 | N | 89.2 | Confident | 92.7 | Very high | 39 Ų | 39 | 43.4 Ų | 43.4 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -63.5 | -29.1 | 177.4 | -75 | -71.9 | 0 | 0 | 0 | 112.7 | I132 N155 L159 Y160 | I132-N157 HydrophobicContact CG2-CB 4.34Å; I132-N157 PolarHBondContact O-ND2 3.38Å; N155-N157 PolarHBondContact O-N 3.25Å; N155-N157 VanDerWaalsContact O-N 3.11Å; N155-N157 VanDerWaalsContact OD1-CB 3.28Å; N155-N157 WeakPolarHBondContact OD1-CB 3.15Å; N155-N157 PolarHBondContact OD1-N 3.08Å; N155-N157 PolarHBondContact OD1-ND2 3.44Å; N157-L159 PolarHBondContact O-N 3.09Å; N157-Y160 WeakPolarHBondContact O-CD2 3.27Å; N157-Y160 PolarHBondContact O-N 2.77Å |
| 158 | L | 90.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -61.8 | -27.4 | 174.1 | -72.9 | 172.1 | 0 | 0 | 0 | 112.5 | I132 L135 L144 L154 N155 S156 Y160 N161 L167 L183 L186 | I132-L158 HydrophobicContact CD1-CD1 3.96Å; I132-L158 HydrophobicContact CD1-CD2 4.41Å; I132-L158 HydrophobicContact CD1-CG 4.18Å; I132-L158 HydrophobicContact CG2-CD2 4.09Å; I132-L158 HydrophobicContact CG2-CG 4.11Å; L135-L158 HydrophobicContact CD1-CD2 4.29Å; L144-L158 HydrophobicContact CD2-CD2 3.82Å; L154-L158 HydrophobicContact CB-CD1 4.29Å; L154-L158 HydrophobicContact CD2-CD1 4.2Å; N155-L158 PolarHBondContact O-N 3.42Å; S156-L158 PolarHBondContact O-N 3.39Å; L158-Y160 PolarHBondContact O-N 2.89Å; L158-N161 PolarHBondContact O-N 2.86Å; L158-L167 HydrophobicContact CD1-CD2 4.45Å; L158-L183 HydrophobicContact CD1-CD2 4.07Å; L158-L186 WeakPolarHBondContact O-CD2 3.46Å |
| 159 | L | 89.3 | Confident | 92.7 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -67.6 | -16.7 | -175.9 | -58.2 | -178.3 | 0 | 0 | 0 | 113.4 | S156 N157 N161 Q162 I182 K185 | S156-L159 VanDerWaalsContact O-CB 3.25Å; S156-L159 WeakPolarHBondContact O-CB 3.5Å; S156-L159 WeakPolarHBondContact O-CG 3.26Å; S156-L159 PolarHBondContact O-N 3.49Å; N157-L159 PolarHBondContact O-N 3.09Å; L159-N161 VanDerWaalsContact C-N 3.26Å; L159-N161 PolarHBondContact O-N 3.42Å; L159-Q162 PolarHBondContact O-NE2 3Å; L159-I182 HydrophobicContact CD1-CG2 4.23Å; L159-I182 HydrophobicContact CD2-CG2 3.61Å; L159-I182 HydrophobicContact CG-CG2 3.95Å; L159-K185 HydrophobicContact CD1-CD 4.02Å; L159-K185 HydrophobicContact CD2-CB 3.54Å; L159-K185 HydrophobicContact CD2-CD 4.1Å; L159-K185 HydrophobicContact CD2-CG 4.4Å |
| 160 | Y | 90.2 | Very high | 92.7 | Very high | 129 Ų | 129 | 43.1 Ų | 43.1 | 51% | 0.506 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -73.2 | -20.2 | 173.5 | -63.2 | -68.9 | 0 | 0 | 0 | 112.6 | N136 N157 L158 Q162 | N136-Y160 HydrophobicContact CB-CD1 4.26Å; N136-Y160 HydrophobicContact CB-CD2 3.72Å; N136-Y160 HydrophobicContact CB-CE2 4.07Å; N136-Y160 HydrophobicContact CB-CG 3.85Å; N157-Y160 WeakPolarHBondContact O-CD2 3.27Å; N157-Y160 PolarHBondContact O-N 2.77Å; L158-Y160 PolarHBondContact O-N 2.89Å; Y160-Q162 PolarHBondContact O-N 3.28Å |
| 161 | N | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -96 | 60.7 | -176.6 | -49.5 | 103.7 | 0 | 0 | 0 | 111.1 | L135 L138 L141 L158 L159 K163 L164 | L135-N161 WeakPolarHBondContact CB-OD1 3.24Å; L135-N161 PolarHBondContact O-ND2 2.74Å; L135-N161 VanDerWaalsContact O-ND2 3.1Å; L138-N161 PolarHBondContact O-ND2 2.79Å; L141-N161 HydrophobicContact CB-CB 4.46Å; L158-N161 PolarHBondContact O-N 2.86Å; L159-N161 VanDerWaalsContact C-N 3.26Å; L159-N161 PolarHBondContact O-N 3.42Å; N161-K163 PolarHBondContact O-N 2.61Å; N161-L164 HydrophobicContact CB-CB 4.4Å; N161-L164 VanDerWaalsContact O-CB 3.25Å; N161-L164 WeakPolarHBondContact O-CB 3.36Å; N161-L164 PolarHBondContact O-N 2.82Å | ||
| 162 | Q | 91.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -9.5 | -177.6 | -67.3 | -69.5 | -42.4 | 0 | 0 | 114.8 | L159 Y160 K185 | L159-Q162 PolarHBondContact O-NE2 3Å; Y160-Q162 PolarHBondContact O-N 3.28Å; Q162-K185 PolarHBondContact NE2-O 3.49Å |
| 163 | K | 95.3 | Very high | 92.7 | Very high | 117 Ų | 117 | 38 Ų | 38 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 6.1 | 175.4 | -65.8 | -61.6 | -173.5 | -178.8 | 0 | 114 | K139 L141 K142 N161 E165 I188 | K139-K163 WeakPolarHBondContact O-CG 3Å; L141-K163 CarbonylContact O-C 3.25Å; K142-K163 WeakPolarHBondContact CA-O 3.41Å; N161-K163 PolarHBondContact O-N 2.61Å; K163-E165 PolarHBondContact O-N 2.92Å; K163-I188 HydrophobicContact CB-CD1 4.42Å; K163-I188 HydrophobicContact CD-CD1 4.11Å; K163-I188 WeakPolarHBondContact O-CD1 3.43Å |
| 164 | L | 96.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | trans | -70.7 | 118.7 | -178.4 | -164.7 | 72.8 | 0 | 0 | 0 | 111 | L141 L144 N161 L167 L186 I188 L189 | L141-L164 HydrophobicContact CD2-CD1 4.26Å; L141-L164 HydrophobicContact CG-CD1 4.21Å; L141-L164 VanDerWaalsContact O-CA 3.32Å; L141-L164 WeakPolarHBondContact O-CA 3.48Å; L141-L164 PolarHBondContact O-N 2.96Å; L141-L164 VanDerWaalsContact O-N 3.12Å; L144-L164 HydrophobicContact CB-CD1 3.76Å; N161-L164 HydrophobicContact CB-CB 4.4Å; N161-L164 VanDerWaalsContact O-CB 3.25Å; N161-L164 WeakPolarHBondContact O-CB 3.36Å; N161-L164 PolarHBondContact O-N 2.82Å; L164-L167 HydrophobicContact CD2-CB 4.2Å; L164-L167 HydrophobicContact CD2-CD1 4.31Å; L164-L186 HydrophobicContact CD2-CD1 4.06Å; L164-I188 CarbonylContact O-C 3.54Å; L164-L189 HydrophobicContact CD2-CD1 4.37Å; L164-L189 HydrophobicContact CG-CD1 4.39Å; L164-L189 VanDerWaalsContact O-CA 3.29Å; L164-L189 WeakPolarHBondContact O-CA 3.03Å; L164-L189 PolarHBondContact O-N 2.83Å | ||
| 165 | E | 97.3 | Very high | 92.3 | Very high | 68 Ų | 68 | 36.8 Ų | 36.8 | 32% | 0.318 | 18% | 0.178 | S | C | . | . | trans | -99.3 | -37.9 | 177.7 | -64.1 | 177.1 | -165.6 | 0 | 0 | 111.4 | K142 K163 I188 N190 K191 | K142-E165 PolarHBondContact O-N 3.25Å; K163-E165 PolarHBondContact O-N 2.92Å; E165-I188 HydrophobicContact CG-CD1 4Å; E165-I188 HydrophobicContact CG-CG1 4.24Å; E165-N190 PolarHBondContact O-N 3.02Å; E165-N190 PolarHBondContact O-OD1 3.33Å; E165-K191 PolarHBondContact O-N 3.38Å; E165-K191 VanDerWaalsContact O-N 3.07Å | ||
| 166 | Q | 97.8 | Very high | 91.9 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 18% | 0.178 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.2 | -174.3 | -48 | -172.9 | 24.8 | 0 | 0 | 111.7 | K142 Q143 L144 F168 K191 | K142-Q166 PolarHBondContact O-N 3.44Å; Q143-Q166 WeakPolarHBondContact CA-O 3.3Å; Q143-Q166 HydrophobicContact CB-CB 4.43Å; Q143-Q166 HydrophobicContact CG-CB 4.11Å; L144-Q166 PolarHBondContact N-O 2.98Å; L144-Q166 VanDerWaalsContact N-O 3.09Å; Q166-F168 HydrophobicContact CB-CE2 3.84Å; Q166-F168 HydrophobicContact CB-CZ 4.47Å; Q166-K191 WeakPolarHBondContact CA-O 3.1Å; Q166-K191 HydrophobicContact CB-CB 4.32Å; Q166-K191 HydrophobicContact CG-CB 4.06Å; Q166-K191 HydrophobicContact CG-CD 3.97Å; Q166-K191 HydrophobicContact CG-CG 4.28Å |
| 167 | L | 97.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.6 | 177.9 | 179.4 | 61.6 | 0 | 0 | 0 | 110.5 | L144 L158 L164 I169 L183 L189 K191 L192 N193 | L144-L167 HydrophobicContact CB-CD1 4.17Å; L144-L167 HydrophobicContact CD2-CD1 4.17Å; L144-L167 HydrophobicContact CG-CD1 4.21Å; L158-L167 HydrophobicContact CD1-CD2 4.45Å; L164-L167 HydrophobicContact CD2-CB 4.2Å; L164-L167 HydrophobicContact CD2-CD1 4.31Å; L167-I169 HydrophobicContact CD1-CG2 3.79Å; L167-I169 HydrophobicContact CD2-CD1 4.39Å; L167-I169 HydrophobicContact CD2-CG2 4.21Å; L167-I169 HydrophobicContact CG-CG2 3.83Å; L167-L183 HydrophobicContact CD2-CD1 4.29Å; L167-L183 HydrophobicContact CD2-CD2 3.64Å; L167-L189 HydrophobicContact CB-CD1 3.89Å; L167-K191 PolarHBondContact N-O 3.26Å; L167-K191 VanDerWaalsContact N-O 3.08Å; L167-L192 HydrophobicContact CB-CD1 4.1Å; L167-L192 HydrophobicContact CD2-CD1 4.08Å; L167-L192 HydrophobicContact CG-CD1 4.15Å; L167-L192 WeakPolarHBondContact O-CA 2.96Å; L167-N193 PolarHBondContact O-N 3.16Å |
| 168 | F | 97.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 6% | 0.057 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 119.9 | 176.8 | -51.8 | -109.9 | 0 | 0 | 0 | 109 | Q143 L144 N145 L146 S147 Q166 N193 Y227 | Q143-F168 HydrophobicContact CG-CD2 4.4Å; Q143-F168 HydrophobicContact CG-CE2 3.83Å; L144-F168 PolarHBondContact O-N 3.23Å; N145-F168 HydrophobicContact CB-CB 4.08Å; N145-F168 HydrophobicContact CB-CD2 4.1Å; N145-F168 HydrophobicContact CB-CG 4.26Å; N145-F168 VanDerWaalsContact OD1-CB 3.28Å; N145-F168 WeakPolarHBondContact OD1-CB 3.43Å; L146-F168 CarbonylContact C-O 3.24Å; L146-F168 WeakPolarHBondContact CA-O 3.28Å; L146-F168 PolarHBondContact N-O 3.49Å; S147-F168 PolarHBondContact N-O 3.31Å; S147-F168 WeakPolarHBondContact OG-CB 3.45Å; Q166-F168 HydrophobicContact CB-CE2 3.84Å; Q166-F168 HydrophobicContact CB-CZ 4.47Å; F168-N193 WeakPolarHBondContact CA-O 3.18Å; F168-N193 HydrophobicContact CB-CB 4.22Å; F168-N193 HydrophobicContact CD1-CB 3.56Å; F168-N193 HydrophobicContact CE1-CB 4.2Å; F168-N193 HydrophobicContact CG-CB 4.11Å; F168-Y227 HydrophobicContact CE1-CE1 4.36Å |
| 169 | I | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -141.1 | 18.2 | -171.5 | 53.2 | 173.8 | 0 | 0 | 0 | 111.7 | L146 S147 L154 L167 N172 L174 L180 L192 N193 I194 N202 | L146-I169 HydrophobicContact CB-CG2 4.44Å; S147-I169 PolarHBondContact OG-N 3.03Å; L154-I169 HydrophobicContact CD1-CD1 4.1Å; L154-I169 HydrophobicContact CD2-CD1 4.39Å; L154-I169 HydrophobicContact CD2-CG2 4.39Å; L167-I169 HydrophobicContact CD1-CG2 3.79Å; L167-I169 HydrophobicContact CD2-CD1 4.39Å; L167-I169 HydrophobicContact CD2-CG2 4.21Å; L167-I169 HydrophobicContact CG-CG2 3.83Å; I169-N172 PolarHBondContact O-ND2 2.92Å; I169-L174 HydrophobicContact CB-CD1 4.16Å; I169-L174 HydrophobicContact CD1-CD1 3.68Å; I169-L174 HydrophobicContact CG1-CD1 4.19Å; I169-L180 HydrophobicContact CD1-CD2 4.37Å; I169-L192 HydrophobicContact CD1-CD1 3.83Å; I169-L192 HydrophobicContact CG1-CD1 4.12Å; I169-N193 VanDerWaalsContact CG1-O 3.27Å; I169-N193 WeakPolarHBondContact CG1-O 3.37Å; I169-N193 PolarHBondContact N-O 3.26Å; I169-I194 HydrophobicContact CD1-CB 4.44Å; I169-I194 HydrophobicContact CD1-CD1 4.07Å; I169-I194 HydrophobicContact CD1-CG1 4.15Å; I169-I194 HydrophobicContact CG1-CB 4.17Å; I169-I194 HydrophobicContact CG1-CG1 4.14Å; I169-N202 PolarHBondContact O-ND2 3.37Å | ||
| 170 | S | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 158.3 | 174.2 | -52 | 0 | 0 | 0 | 0 | 111.3 | S147 G148 N172 N193 I194 N195 E196 | S147-S170 CarbonylContact C-O 3.29Å; S147-S170 WeakPolarHBondContact CA-O 3.26Å; S147-S170 WeakPolarHBondContact CB-O 3.24Å; S147-S170 PolarHBondContact OG-N 3.25Å; S147-S170 VanDerWaalsContact OG-N 3.1Å; G148-S170 PolarHBondContact N-O 3.44Å; S170-N172 VanDerWaalsContact C-N 3.26Å; S170-N172 PolarHBondContact O-N 2.98Å; S170-N172 PolarHBondContact O-ND2 3.44Å; S170-N193 PolarHBondContact N-O 3.17Å; S170-I194 WeakPolarHBondContact CA-O 3.5Å; S170-I194 PolarHBondContact OG-N 3.11Å; S170-N195 PolarHBondContact OG-N 3.03Å; S170-E196 VanDerWaalsContact CB-OE2 3.26Å; S170-E196 WeakPolarHBondContact CB-OE2 3.32Å; S170-E196 WeakPolarHBondContact OG-CB 3.39Å; S170-E196 VanDerWaalsContact OG-CG 3.23Å; S170-E196 WeakPolarHBondContact OG-CG 3.21Å; S170-E196 PolarHBondContact OG-N 2.83Å; S170-E196 VanDerWaalsContact OG-N 3.1Å; S170-E196 PolarHBondContact OG-OE2 3Å |
| 171 | G | 93.7 | Very high | 89.5 | Confident | 10 Ų | 10 | 27.7 Ų | 27.7 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 15.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | L200 | G171-L200 WeakPolarHBondContact CA-O 3.42Å; G171-L200 PolarHBondContact N-O 3.17Å; G171-L200 VanDerWaalsContact N-O 3.08Å |
| 172 | N | 94.7 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -100 | -168.4 | 176.6 | -78.6 | -76 | 0 | 0 | 0 | 111.2 | L146 N149 Y150 I151 I169 S170 L174 N202 | L146-N172 PolarHBondContact O-ND2 3.33Å; N149-N172 WeakPolarHBondContact CA-OD1 3.36Å; N149-N172 WeakPolarHBondContact CB-OD1 3.46Å; N149-N172 WeakPolarHBondContact O-CA 3.44Å; N149-N172 PolarHBondContact O-OD1 2.92Å; Y150-N172 PolarHBondContact N-OD1 3.47Å; I151-N172 HydrophobicContact CB-CB 4.22Å; I151-N172 VanDerWaalsContact CB-OD1 3.29Å; I151-N172 WeakPolarHBondContact CB-OD1 3.48Å; I151-N172 WeakPolarHBondContact CG1-OD1 3.49Å; I151-N172 PolarHBondContact N-OD1 3.06Å; I169-N172 PolarHBondContact O-ND2 2.92Å; S170-N172 VanDerWaalsContact C-N 3.26Å; S170-N172 PolarHBondContact O-N 2.98Å; S170-N172 PolarHBondContact O-ND2 3.44Å; N172-L174 HydrophobicContact CB-CG 4.16Å; N172-N202 VanDerWaalsContact CA-OD1 3.26Å; N172-N202 WeakPolarHBondContact CA-OD1 3.44Å; N172-N202 VanDerWaalsContact CB-OD1 3.23Å; N172-N202 WeakPolarHBondContact CB-OD1 3.29Å; N172-N202 PolarHBondContact N-OD1 3.39Å; N172-N202 PolarHBondContact O-OD1 3.41Å |
| 173 | Q | 89.5 | Confident | 88.8 | Confident | 71 Ų | 71 | 25.6 Ų | 25.6 | 33% | 0.332 | 12% | 0.123 | S | C | . | . | trans | -109 | 32.1 | 178.5 | -59.2 | -55.6 | -43.3 | 0 | 0 | 111.7 | I151 E152 W175 | I151-Q173 CarbonylContact O-C 3.52Å; I151-Q173 WeakPolarHBondContact O-CA 3.07Å; I151-Q173 PolarHBondContact O-N 3.11Å; E152-Q173 HydrophobicContact CG-CB 3.92Å; Q173-W175 PolarHBondContact O-N 3.27Å | ||
| 174 | L | 88.5 | Confident | 88.1 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | trans | -69.8 | 115.8 | -177.5 | -60.5 | 175.4 | 0 | 0 | 0 | 111.1 | I151 L154 I169 N172 I194 N202 P203 L204 | I151-L174 HydrophobicContact CG2-CD2 4.14Å; I151-L174 PolarHBondContact O-N 2.86Å; L154-L174 HydrophobicContact CD2-CD1 4.29Å; L154-L174 HydrophobicContact CD2-CD2 4.03Å; L154-L174 HydrophobicContact CG-CD1 4.44Å; L154-L174 HydrophobicContact CG-CD2 4.01Å; I169-L174 HydrophobicContact CB-CD1 4.16Å; I169-L174 HydrophobicContact CD1-CD1 3.68Å; I169-L174 HydrophobicContact CG1-CD1 4.19Å; N172-L174 HydrophobicContact CB-CG 4.16Å; L174-I194 HydrophobicContact CD1-CD1 4.46Å; L174-N202 HydrophobicContact CB-CB 4.21Å; L174-N202 WeakPolarHBondContact CB-OD1 3.04Å; L174-N202 WeakPolarHBondContact CG-OD1 3.42Å; L174-N202 PolarHBondContact N-OD1 2.92Å; L174-N202 VanDerWaalsContact N-OD1 3.08Å; L174-P203 VanDerWaalsContact O-CD 3.31Å; L174-P203 WeakPolarHBondContact O-CD 3.43Å; L174-L204 HydrophobicContact CB-CD1 4.24Å; L174-L204 WeakPolarHBondContact O-CG 3.5Å; L174-L204 PolarHBondContact O-N 3.48Å | ||
| 175 | W | 79.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 30.7 Ų | 30.7 | 17% | 0.174 | 15% | 0.149 | C | C | . | . | trans | -123.7 | -22.7 | -175.6 | 70.6 | -92.6 | 0 | 0 | 0 | 114.4 | H153 Q173 P203 L204 V418 L419 N422 N464 | H153-W175 AromaticContact CE1-CE2 3.65Å; H153-W175 AromaticContact CE1-CZ2 3.63Å; H153-W175 AromaticContact CE1-NE1 3.39Å; H153-W175 PolarHBondContact CE1-NE1 3.05Å; H153-W175 AromaticContact NE2-NE1 3.69Å; Q173-W175 PolarHBondContact O-N 3.27Å; W175-P203 HydrophobicContact CB-CB 3.97Å; W175-P203 HydrophobicContact CB-CG 4.34Å; W175-L204 VanDerWaalsContact O-CD2 3.24Å; W175-L204 WeakPolarHBondContact O-CD2 3.33Å; W175-L204 WeakPolarHBondContact O-CG 3.26Å; W175-V418 WeakPolarHBondContact O-CG1 3.42Å; W175-L419 HydrophobicContact CE3-CD2 4.39Å; W175-L419 HydrophobicContact CZ3-CD2 3.96Å; W175-N422 WeakPolarHBondContact CB-ND2 3.43Å; W175-N422 VanDerWaalsContact CB-OD1 3.25Å; W175-N422 WeakPolarHBondContact CB-OD1 3.45Å; W175-N464 WeakPolarHBondContact CZ3-O 3.43Å | ||
| 176 | N | 78.8 | Confident | 87 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | trans | -96.2 | 117.1 | -178.2 | 179 | 11.3 | 0 | 0 | 0 | 111 | N178 D179 | N176-N178 PolarHBondContact O-N 3.05Å; N176-N178 PolarHBondContact OD1-N 2.91Å; N176-N178 PolarHBondContact OD1-ND2 2.92Å; N176-D179 PolarHBondContact ND2-OD1 3.03Å; N176-D179 WeakPolarHBondContact O-CB 3.41Å; N176-D179 PolarHBondContact O-N 2.58Å | ||
| 177 | F | 77.2 | Confident | 86.3 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -31.6 | 179.4 | -179.6 | -101.3 | 0 | 0 | 0 | 112.9 | D179 L180 L181 L204 L211 L214 Y218 | F177-D179 PolarHBondContact O-N 3.33Å; F177-L180 HydrophobicContact CD2-CD1 3.94Å; F177-L180 HydrophobicContact CE2-CD1 4.18Å; F177-L180 WeakPolarHBondContact O-CB 3.28Å; F177-L180 PolarHBondContact O-N 3.31Å; F177-L180 VanDerWaalsContact O-N 3.09Å; F177-L181 HydrophobicContact CE1-CD2 3.86Å; F177-L181 HydrophobicContact CE1-CG 4.29Å; F177-L181 HydrophobicContact CZ-CD2 4.22Å; F177-L204 HydrophobicContact CB-CD2 4.11Å; F177-L211 HydrophobicContact CD2-CD1 4.39Å; F177-L211 HydrophobicContact CE2-CD1 4.34Å; F177-L214 HydrophobicContact CD2-CD1 4.23Å; F177-L214 HydrophobicContact CE1-CD2 4.47Å; F177-L214 HydrophobicContact CE2-CB 3.67Å; F177-L214 HydrophobicContact CE2-CD1 3.9Å; F177-L214 HydrophobicContact CE2-CG 4.27Å; F177-L214 HydrophobicContact CZ-CB 3.8Å; F177-L214 HydrophobicContact CZ-CD1 4.24Å; F177-L214 HydrophobicContact CZ-CD2 4.07Å; F177-L214 HydrophobicContact CZ-CG 4.28Å; F177-Y218 AromaticContact CE1-CD2 3.72Å; F177-Y218 HydrophobicContact CE1-CD2 3.72Å; F177-Y218 AromaticContact CE1-CE2 3.62Å; F177-Y218 HydrophobicContact CE1-CE2 3.62Å; F177-Y218 HydrophobicContact CE1-CG 4.4Å; F177-Y218 AromaticContact CZ-CD2 3.43Å; F177-Y218 HydrophobicContact CZ-CD2 3.43Å; F177-Y218 VanDerWaalsContact CZ-CD2 3.43Å; F177-Y218 AromaticContact CZ-CE2 3.75Å; F177-Y218 HydrophobicContact CZ-CE2 3.75Å; F177-Y218 HydrophobicContact CZ-CG 4.2Å |
| 178 | N | 74.3 | Confident | 85.9 | Confident | 34 Ų | 34 | 31.2 Ų | 31.2 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.8 | -23.9 | -178.7 | -62.8 | -61.4 | 0 | 0 | 0 | 113.4 | N176 L180 L181 N464 | N176-N178 PolarHBondContact O-N 3.05Å; N176-N178 PolarHBondContact OD1-N 2.91Å; N176-N178 PolarHBondContact OD1-ND2 2.92Å; N178-L180 PolarHBondContact O-N 3.34Å; N178-L181 HydrophobicContact CB-CD1 4.43Å; N178-L181 WeakPolarHBondContact O-CB 3.49Å; N178-L181 PolarHBondContact O-N 2.78Å; N178-L181 VanDerWaalsContact O-N 3.1Å; N178-N464 PolarHBondContact ND2-ND2 3.36Å; N178-N464 PolarHBondContact ND2-OD1 3.43Å |
| 179 | D | 80 | Confident | 85.8 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -31.4 | 177 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | H153 L154 N176 F177 L181 I182 | H153-D179 VanDerWaalsContact CA-OD2 3.27Å; H153-D179 WeakPolarHBondContact CA-OD2 3.26Å; H153-D179 WeakPolarHBondContact CB-OD2 3.47Å; H153-D179 IonicContact CE1-OD2 2.83Å; H153-D179 IonicContact CG-OD2 3.71Å; H153-D179 IonicContact ND1-OD1 3.93Å; H153-D179 IonicContact ND1-OD2 3.23Å; H153-D179 PolarHBondContact ND1-OD2 3.27Å; L154-D179 HydrophobicContact CB-CB 3.94Å; L154-D179 HydrophobicContact CG-CB 4.34Å; N176-D179 PolarHBondContact ND2-OD1 3.03Å; N176-D179 WeakPolarHBondContact O-CB 3.41Å; N176-D179 PolarHBondContact O-N 2.58Å; F177-D179 PolarHBondContact O-N 3.33Å; D179-L181 VanDerWaalsContact C-N 3.31Å; D179-L181 PolarHBondContact O-N 2.89Å; D179-I182 WeakPolarHBondContact O-CB 3.39Å; D179-I182 PolarHBondContact O-N 3.08Å |
| 180 | L | 84 | Confident | 85.7 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.4 | -27.1 | 175.5 | -60.9 | 169.2 | 0 | 0 | 0 | 112.3 | L154 I169 F177 N178 I182 L183 I194 L204 L211 L215 | L154-L180 HydrophobicContact CD1-CD2 3.74Å; I169-L180 HydrophobicContact CD1-CD2 4.37Å; F177-L180 HydrophobicContact CD2-CD1 3.94Å; F177-L180 HydrophobicContact CE2-CD1 4.18Å; F177-L180 WeakPolarHBondContact O-CB 3.28Å; F177-L180 PolarHBondContact O-N 3.31Å; F177-L180 VanDerWaalsContact O-N 3.09Å; N178-L180 PolarHBondContact O-N 3.34Å; L180-I182 PolarHBondContact O-N 3.27Å; L180-L183 HydrophobicContact CD2-CD1 4.14Å; L180-L183 WeakPolarHBondContact O-CB 3.46Å; L180-L183 WeakPolarHBondContact O-CG 3.26Å; L180-L183 PolarHBondContact O-N 3.03Å; L180-I194 HydrophobicContact CD1-CD1 4.13Å; L180-I194 HydrophobicContact CD2-CD1 3.61Å; L180-L204 HydrophobicContact CD1-CD1 3.96Å; L180-L211 HydrophobicContact CD1-CD1 4.07Å; L180-L215 HydrophobicContact CB-CD2 4.45Å; L180-L215 HydrophobicContact CD1-CD2 4.02Å |
| 181 | L | 77.9 | Confident | 85.7 | Confident | 52 Ų | 52 | 35.8 Ų | 35.8 | 27% | 0.272 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66 | -23.5 | 178.6 | -59.2 | 179.4 | 0 | 0 | 0 | 112.2 | F177 N178 D179 L183 N184 Y218 | F177-L181 HydrophobicContact CE1-CD2 3.86Å; F177-L181 HydrophobicContact CE1-CG 4.29Å; F177-L181 HydrophobicContact CZ-CD2 4.22Å; N178-L181 HydrophobicContact CB-CD1 4.43Å; N178-L181 WeakPolarHBondContact O-CB 3.49Å; N178-L181 PolarHBondContact O-N 2.78Å; N178-L181 VanDerWaalsContact O-N 3.1Å; D179-L181 VanDerWaalsContact C-N 3.31Å; D179-L181 PolarHBondContact O-N 2.89Å; L181-L183 PolarHBondContact O-N 2.8Å; L181-N184 WeakPolarHBondContact O-CB 3.23Å; L181-N184 PolarHBondContact O-N 3.19Å; L181-N184 VanDerWaalsContact O-N 3.14Å; L181-Y218 HydrophobicContact CD2-CD1 3.36Å; L181-Y218 HydrophobicContact CD2-CD2 4.15Å; L181-Y218 HydrophobicContact CD2-CE1 3.96Å; L181-Y218 HydrophobicContact CD2-CG 3.45Å; L181-Y218 VanDerWaalsContact CD2-CG 3.45Å |
| 182 | I | 81.5 | Confident | 85.8 | Confident | 39 Ų | 39 | 35.3 Ų | 35.3 | 20% | 0.2 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -61.5 | -31.3 | 174.5 | -61.5 | 172.8 | 0 | 0 | 0 | 110.6 | L154 L159 D179 L180 N184 K185 | L154-I182 VanDerWaalsContact O-CD1 3.31Å; L154-I182 WeakPolarHBondContact O-CD1 3.45Å; L159-I182 HydrophobicContact CD1-CG2 4.23Å; L159-I182 HydrophobicContact CD2-CG2 3.61Å; L159-I182 HydrophobicContact CG-CG2 3.95Å; D179-I182 WeakPolarHBondContact O-CB 3.39Å; D179-I182 PolarHBondContact O-N 3.08Å; L180-I182 PolarHBondContact O-N 3.27Å; I182-N184 PolarHBondContact O-N 2.87Å; I182-K185 WeakPolarHBondContact O-CB 3.49Å; I182-K185 PolarHBondContact O-N 2.9Å |
| 183 | L | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -63.7 | -22 | 178.7 | -56.9 | 178.8 | 0 | 0 | 0 | 112.6 | L154 L158 L167 L180 L181 K185 L186 L189 L192 L219 | L154-L183 HydrophobicContact CD1-CD1 4.05Å; L154-L183 HydrophobicContact CD1-CD2 4.2Å; L154-L183 HydrophobicContact CD1-CG 4.15Å; L158-L183 HydrophobicContact CD1-CD2 4.07Å; L167-L183 HydrophobicContact CD2-CD1 4.29Å; L167-L183 HydrophobicContact CD2-CD2 3.64Å; L180-L183 HydrophobicContact CD2-CD1 4.14Å; L180-L183 WeakPolarHBondContact O-CB 3.46Å; L180-L183 WeakPolarHBondContact O-CG 3.26Å; L180-L183 PolarHBondContact O-N 3.03Å; L181-L183 PolarHBondContact O-N 2.8Å; L183-K185 PolarHBondContact O-N 3.03Å; L183-K185 VanDerWaalsContact O-N 3.16Å; L183-L186 HydrophobicContact CD2-CD1 4.05Å; L183-L186 WeakPolarHBondContact O-CB 3.39Å; L183-L186 PolarHBondContact O-N 3.2Å; L183-L189 HydrophobicContact CB-CD2 3.88Å; L183-L189 HydrophobicContact CD1-CD2 4.38Å; L183-L189 HydrophobicContact CD2-CD2 4.33Å; L183-L189 HydrophobicContact CG-CD2 4.43Å; L183-L192 HydrophobicContact CD1-CD1 4.11Å; L183-L192 HydrophobicContact CD1-CD2 4.07Å; L183-L219 HydrophobicContact CB-CD1 4.06Å; L183-L219 HydrophobicContact CB-CD2 3.83Å; L183-L219 HydrophobicContact CD1-CD1 4.21Å |
| 184 | N | 80.9 | Confident | 86 | Confident | 86 Ų | 86 | 31.9 Ų | 31.9 | 46% | 0.46 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -64.4 | -20.8 | 176.2 | -164.8 | 20.9 | 0 | 0 | 0 | 112.1 | L181 I182 L186 L219 | L181-N184 WeakPolarHBondContact O-CB 3.23Å; L181-N184 PolarHBondContact O-N 3.19Å; L181-N184 VanDerWaalsContact O-N 3.14Å; I182-N184 PolarHBondContact O-N 2.87Å; N184-L186 PolarHBondContact O-N 3.26Å; N184-L219 VanDerWaalsContact CA-CD2 3.45Å; N184-L219 HydrophobicContact CB-CD2 3.66Å |
| 185 | K | 82.3 | Confident | 86.2 | Confident | 138 Ų | 138 | 33.9 Ų | 33.9 | 60% | 0.6 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -82.6 | 2.9 | 176.1 | -59.9 | -179 | 179.1 | 179.7 | 0 | 113.4 | L159 Q162 I182 L183 | L159-K185 HydrophobicContact CD1-CD 4.02Å; L159-K185 HydrophobicContact CD2-CB 3.54Å; L159-K185 HydrophobicContact CD2-CD 4.1Å; L159-K185 HydrophobicContact CD2-CG 4.4Å; Q162-K185 PolarHBondContact NE2-O 3.49Å; I182-K185 WeakPolarHBondContact O-CB 3.49Å; I182-K185 PolarHBondContact O-N 2.9Å; L183-K185 PolarHBondContact O-N 3.03Å; L183-K185 VanDerWaalsContact O-N 3.16Å |
| 186 | L | 88.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -99.5 | 104.9 | 172.5 | -62 | 175.7 | 0 | 0 | 0 | 108.9 | L158 L164 L183 N184 I188 L189 | L158-L186 WeakPolarHBondContact O-CD2 3.46Å; L164-L186 HydrophobicContact CD2-CD1 4.06Å; L183-L186 HydrophobicContact CD2-CD1 4.05Å; L183-L186 WeakPolarHBondContact O-CB 3.39Å; L183-L186 PolarHBondContact O-N 3.2Å; N184-L186 PolarHBondContact O-N 3.26Å; L186-I188 VanDerWaalsContact C-N 3.3Å; L186-I188 PolarHBondContact O-N 2.82Å; L186-L189 HydrophobicContact CB-CB 3.85Å; L186-L189 HydrophobicContact CD1-CD2 4.27Å; L186-L189 PolarHBondContact O-N 2.72Å | ||
| 187 | P | 83.2 | Confident | 87.3 | Confident | 53 Ų | 53 | 37.3 Ų | 37.3 | 34% | 0.344 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22.4 | -163.3 | 26.8 | -35.4 | 0 | 0 | 0 | 114.2 | N814 | P187-N814 PolarHBondContact O-ND2 3.28Š|
| 188 | I | 91.1 | Very high | 87.9 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 33% | 0.328 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | 5.2 | -176.9 | 69.9 | 175.9 | 0 | 0 | 0 | 114 | K163 L164 E165 L186 N190 | K163-I188 HydrophobicContact CB-CD1 4.42Å; K163-I188 HydrophobicContact CD-CD1 4.11Å; K163-I188 WeakPolarHBondContact O-CD1 3.43Å; L164-I188 CarbonylContact O-C 3.54Å; E165-I188 HydrophobicContact CG-CD1 4Å; E165-I188 HydrophobicContact CG-CG1 4.24Å; L186-I188 VanDerWaalsContact C-N 3.3Å; L186-I188 PolarHBondContact O-N 2.82Å; I188-N190 PolarHBondContact O-N 2.82Å; I188-N190 VanDerWaalsContact O-N 3.09Å |
| 189 | L | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -63.5 | 113.3 | 176.7 | -177.7 | 73.7 | 0 | 0 | 0 | 109.1 | L164 L167 L183 L186 Q221 L222 | L164-L189 HydrophobicContact CD2-CD1 4.37Å; L164-L189 HydrophobicContact CG-CD1 4.39Å; L164-L189 VanDerWaalsContact O-CA 3.29Å; L164-L189 WeakPolarHBondContact O-CA 3.03Å; L164-L189 PolarHBondContact O-N 2.83Å; L167-L189 HydrophobicContact CB-CD1 3.89Å; L183-L189 HydrophobicContact CB-CD2 3.88Å; L183-L189 HydrophobicContact CD1-CD2 4.38Å; L183-L189 HydrophobicContact CD2-CD2 4.33Å; L183-L189 HydrophobicContact CG-CD2 4.43Å; L186-L189 HydrophobicContact CB-CB 3.85Å; L186-L189 HydrophobicContact CD1-CD2 4.27Å; L186-L189 PolarHBondContact O-N 2.72Å; L189-Q221 WeakPolarHBondContact O-CG 3.36Å; L189-L222 HydrophobicContact CD2-CD2 4.44Å; L189-L222 HydrophobicContact CG-CD2 4.23Å | ||
| 190 | N | 94.3 | Very high | 89.1 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | trans | -122.2 | -17.9 | -174.1 | 64.1 | 15.7 | 0 | 0 | 0 | 113.1 | E165 I188 C223 Q224 | E165-N190 PolarHBondContact O-N 3.02Å; E165-N190 PolarHBondContact O-OD1 3.33Å; I188-N190 PolarHBondContact O-N 2.82Å; I188-N190 VanDerWaalsContact O-N 3.09Å; N190-C223 PolarHBondContact O-N 2.95Å; N190-C223 PolarHBondContact O-SG 2.85Å; N190-Q224 PolarHBondContact O-N 3.49Å | ||
| 191 | K | 96.1 | Very high | 89.3 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 129.4 | 175 | -55.1 | -177.8 | -168.9 | 165.8 | 0 | 110.8 | E165 Q166 L167 Q224 | E165-K191 PolarHBondContact O-N 3.38Å; E165-K191 VanDerWaalsContact O-N 3.07Å; Q166-K191 WeakPolarHBondContact CA-O 3.1Å; Q166-K191 HydrophobicContact CB-CB 4.32Å; Q166-K191 HydrophobicContact CG-CB 4.06Å; Q166-K191 HydrophobicContact CG-CD 3.97Å; Q166-K191 HydrophobicContact CG-CG 4.28Å; L167-K191 PolarHBondContact N-O 3.26Å; L167-K191 VanDerWaalsContact N-O 3.08Å; K191-Q224 WeakPolarHBondContact CA-O 3.4Å; K191-Q224 HydrophobicContact CB-CB 4.27Å; K191-Q224 HydrophobicContact CD-CB 4.5Å; K191-Q224 HydrophobicContact CG-CB 3.88Å |
| 192 | L | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125 | 177.3 | -179.5 | 64.2 | 0 | 0 | 0 | 110.3 | L167 I169 L183 L215 L219 L222 Q224 I225 D226 | L167-L192 HydrophobicContact CB-CD1 4.1Å; L167-L192 HydrophobicContact CD2-CD1 4.08Å; L167-L192 HydrophobicContact CG-CD1 4.15Å; L167-L192 WeakPolarHBondContact O-CA 2.96Å; I169-L192 HydrophobicContact CD1-CD1 3.83Å; I169-L192 HydrophobicContact CG1-CD1 4.12Å; L183-L192 HydrophobicContact CD1-CD1 4.11Å; L183-L192 HydrophobicContact CD1-CD2 4.07Å; L192-L215 HydrophobicContact CD2-CD1 4.14Å; L192-L215 HydrophobicContact CD2-CD2 3.88Å; L192-L219 HydrophobicContact CD2-CD1 4.27Å; L192-L222 HydrophobicContact CB-CD1 4.08Å; L192-L222 HydrophobicContact CB-CD2 3.92Å; L192-L222 HydrophobicContact CD2-CD1 4.13Å; L192-Q224 PolarHBondContact N-O 3.02Å; L192-Q224 VanDerWaalsContact N-O 3.09Å; L192-I225 CarbonylContact O-C 3.59Å; L192-I225 VanDerWaalsContact O-CA 3.24Å; L192-I225 WeakPolarHBondContact O-CA 3.42Å; L192-D226 PolarHBondContact O-N 2.95Å |
| 193 | N | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.4 | 173.6 | -74.6 | 43.2 | 0 | 0 | 0 | 108.2 | L167 F168 I169 S170 E196 D226 Y227 | L167-N193 PolarHBondContact O-N 3.16Å; F168-N193 WeakPolarHBondContact CA-O 3.18Å; F168-N193 HydrophobicContact CB-CB 4.22Å; F168-N193 HydrophobicContact CD1-CB 3.56Å; F168-N193 HydrophobicContact CE1-CB 4.2Å; F168-N193 HydrophobicContact CG-CB 4.11Å; I169-N193 VanDerWaalsContact CG1-O 3.27Å; I169-N193 WeakPolarHBondContact CG1-O 3.37Å; I169-N193 PolarHBondContact N-O 3.26Å; S170-N193 PolarHBondContact N-O 3.17Å; N193-E196 HydrophobicContact CB-CG 4Å; N193-E196 VanDerWaalsContact ND2-CD 3.33Å; N193-E196 PolarHBondContact ND2-OE1 3.04Å; N193-D226 WeakPolarHBondContact CA-OD1 3.47Å; N193-Y227 VanDerWaalsContact ND2-CE1 3.34Å; N193-Y227 WeakPolarHBondContact ND2-CE1 3.26Å; N193-Y227 WeakPolarHBondContact ND2-CE2 3.37Å; N193-Y227 PolarHBondContact ND2-OH 2.89Å |
| 194 | I | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -130.5 | -17.9 | -173.9 | -168.8 | 165.6 | 0 | 0 | 0 | 113 | I169 S170 L174 L180 N202 L211 L215 D226 | I169-I194 HydrophobicContact CD1-CB 4.44Å; I169-I194 HydrophobicContact CD1-CD1 4.07Å; I169-I194 HydrophobicContact CD1-CG1 4.15Å; I169-I194 HydrophobicContact CG1-CB 4.17Å; I169-I194 HydrophobicContact CG1-CG1 4.14Å; S170-I194 WeakPolarHBondContact CA-O 3.5Å; S170-I194 PolarHBondContact OG-N 3.11Å; L174-I194 HydrophobicContact CD1-CD1 4.46Å; L180-I194 HydrophobicContact CD1-CD1 4.13Å; L180-I194 HydrophobicContact CD2-CD1 3.61Å; I194-N202 PolarHBondContact O-ND2 2.89Å; I194-L211 HydrophobicContact CD1-CD2 4.29Å; I194-L211 HydrophobicContact CG2-CD2 4.13Å; I194-L215 HydrophobicContact CG2-CD1 4.19Å; I194-D226 PolarHBondContact N-OD1 3.4Å |
| 195 | N | 91.9 | Very high | 89.9 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -144.7 | 46.6 | -175.2 | -167.6 | 40.2 | 0 | 0 | 0 | 111.8 | S170 K201 C205 D226 | S170-N195 PolarHBondContact OG-N 3.03Å; N195-K201 VanDerWaalsContact OD1-CG 3.29Å; N195-K201 WeakPolarHBondContact OD1-CG 3.49Å; N195-C205 HydrophobicContact CB-CB 4.07Å; N195-C205 WeakPolarHBondContact OD1-CB 3.32Å; N195-D226 WeakPolarHBondContact CB-OD2 3.25Å; N195-D226 PolarHBondContact N-OD1 3.3Å | ||
| 196 | E | 92.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | trans | -62.9 | 137.7 | 174.6 | -68.9 | 166.3 | 114.6 | 0 | 0 | 111.1 | S147 S170 N193 E198 Y199 Y227 | S147-E196 PolarHBondContact OG-OE2 3.07Å; S147-E196 VanDerWaalsContact OG-OE2 3.11Å; S170-E196 VanDerWaalsContact CB-OE2 3.26Å; S170-E196 WeakPolarHBondContact CB-OE2 3.32Å; S170-E196 WeakPolarHBondContact OG-CB 3.39Å; S170-E196 VanDerWaalsContact OG-CG 3.23Å; S170-E196 WeakPolarHBondContact OG-CG 3.21Å; S170-E196 PolarHBondContact OG-N 2.83Å; S170-E196 VanDerWaalsContact OG-N 3.1Å; S170-E196 PolarHBondContact OG-OE2 3Å; N193-E196 HydrophobicContact CB-CG 4Å; N193-E196 VanDerWaalsContact ND2-CD 3.33Å; N193-E196 PolarHBondContact ND2-OE1 3.04Å; E196-E198 PolarHBondContact O-N 2.78Å; E196-E198 VanDerWaalsContact O-N 3.15Å; E196-Y199 HydrophobicContact CB-CD2 3.81Å; E196-Y199 HydrophobicContact CB-CE2 4.34Å; E196-Y199 PolarHBondContact O-N 3.05Å; E196-Y227 HydrophobicContact CG-CD2 4.48Å; E196-Y227 HydrophobicContact CG-CE2 3.83Å; E196-Y227 WeakPolarHBondContact OE1-CE2 3.41Å; E196-Y227 PolarHBondContact OE1-OH 3.38Å | ||
| 197 | P | 89 | Confident | 88.5 | Confident | 123 Ų | 123 | 50 Ų | 50 | 80% | 0.799 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.4 | -172 | 26.5 | -35 | 0 | 0 | 0 | 114.3 | Y199 | P197-Y199 VanDerWaalsContact C-N 3.29Š|
| 198 | E | 89.4 | Confident | 87.6 | Confident | 160 Ų | 160 | 48.2 Ų | 48.2 | 75% | 0.748 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.6 | 179.6 | -59.8 | 172.7 | -151.9 | 0 | 0 | 112.7 | E196 | E196-E198 PolarHBondContact O-N 2.78Å; E196-E198 VanDerWaalsContact O-N 3.15Å |
| 199 | Y | 92.4 | Very high | 86.6 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -108.8 | 160.6 | -177.2 | -62.7 | -86.7 | 0 | 0 | 0 | 111.4 | N126 E196 P197 | N126-Y199 VanDerWaalsContact OD1-CE1 3.29Å; N126-Y199 WeakPolarHBondContact OD1-CE1 3.45Å; E196-Y199 HydrophobicContact CB-CD2 3.81Å; E196-Y199 HydrophobicContact CB-CE2 4.34Å; E196-Y199 PolarHBondContact O-N 3.05Å; P197-Y199 VanDerWaalsContact C-N 3.29Å |
| 200 | L | 87.4 | Confident | 85.9 | Confident | 145 Ų | 145 | 54 Ų | 54 | 76% | 0.759 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 147.6 | 165.3 | -67 | 173.8 | 0 | 0 | 0 | 109.9 | G171 N202 | G171-L200 WeakPolarHBondContact CA-O 3.42Å; G171-L200 PolarHBondContact N-O 3.17Å; G171-L200 VanDerWaalsContact N-O 3.08Å; L200-N202 PolarHBondContact O-N 3.23Å |
| 201 | K | 88.6 | Confident | 85.4 | Confident | 113 Ų | 113 | 52.1 Ų | 52.1 | 49% | 0.491 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 134.1 | -179.7 | -60.9 | -165.9 | 175.7 | 177.5 | 0 | 110 | N195 C205 N206 | N195-K201 VanDerWaalsContact OD1-CG 3.29Å; N195-K201 WeakPolarHBondContact OD1-CG 3.49Å; K201-C205 HydrophobicContact CB-CB 4.26Å; K201-N206 WeakPolarHBondContact CB-OD1 3.46Å |
| 202 | N | 88.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 142.6 | 162.2 | -80.1 | -67.8 | 0 | 0 | 0 | 109.2 | I169 N172 L174 I194 L200 L204 C205 | I169-N202 PolarHBondContact O-ND2 3.37Å; N172-N202 VanDerWaalsContact CA-OD1 3.26Å; N172-N202 WeakPolarHBondContact CA-OD1 3.44Å; N172-N202 VanDerWaalsContact CB-OD1 3.23Å; N172-N202 WeakPolarHBondContact CB-OD1 3.29Å; N172-N202 PolarHBondContact N-OD1 3.39Å; N172-N202 PolarHBondContact O-OD1 3.41Å; L174-N202 HydrophobicContact CB-CB 4.21Å; L174-N202 WeakPolarHBondContact CB-OD1 3.04Å; L174-N202 WeakPolarHBondContact CG-OD1 3.42Å; L174-N202 PolarHBondContact N-OD1 2.92Å; L174-N202 VanDerWaalsContact N-OD1 3.08Å; I194-N202 PolarHBondContact O-ND2 2.89Å; L200-N202 PolarHBondContact O-N 3.23Å; N202-L204 PolarHBondContact O-N 3.13Å; N202-L204 VanDerWaalsContact O-N 3.12Å; N202-C205 WeakPolarHBondContact O-CA 3.23Å; N202-C205 WeakPolarHBondContact O-CB 3.17Å; N202-C205 PolarHBondContact O-N 2.85Å |
| 203 | P | 83 | Confident | 84 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -49.1 | -38.6 | 176.4 | -29.9 | 34 | 0 | 0 | 0 | 114.1 | L174 W175 C205 N206 Q421 N422 | L174-P203 VanDerWaalsContact O-CD 3.31Å; L174-P203 WeakPolarHBondContact O-CD 3.43Å; W175-P203 HydrophobicContact CB-CB 3.97Å; W175-P203 HydrophobicContact CB-CG 4.34Å; P203-C205 PolarHBondContact O-N 2.91Å; P203-C205 VanDerWaalsContact O-N 3.13Å; P203-N206 PolarHBondContact O-N 3Å; P203-Q421 PolarHBondContact O-OE1 3.4Å; P203-N422 WeakPolarHBondContact CB-OD1 3.44Å |
| 204 | L | 84.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -58.1 | -24.5 | 174.3 | -79.4 | 164.7 | 0 | 0 | 0 | 115 | L174 W175 F177 L180 N202 Y369 V418 | L174-L204 HydrophobicContact CB-CD1 4.24Å; L174-L204 WeakPolarHBondContact O-CG 3.5Å; L174-L204 PolarHBondContact O-N 3.48Å; W175-L204 VanDerWaalsContact O-CD2 3.24Å; W175-L204 WeakPolarHBondContact O-CD2 3.33Å; W175-L204 WeakPolarHBondContact O-CG 3.26Å; F177-L204 HydrophobicContact CB-CD2 4.11Å; L180-L204 HydrophobicContact CD1-CD1 3.96Å; N202-L204 PolarHBondContact O-N 3.13Å; N202-L204 VanDerWaalsContact O-N 3.12Å; L204-Y369 PolarHBondContact O-OH 2.97Å; L204-V418 HydrophobicContact CD2-CG1 4.06Å; L204-V418 HydrophobicContact CD2-CG2 4.36Å |
| 205 | C | 86.3 | Confident | 82.7 | Confident | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -93.3 | -4.2 | -175.4 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | N195 K201 N202 P203 L211 | N195-C205 HydrophobicContact CB-CB 4.07Å; N195-C205 WeakPolarHBondContact OD1-CB 3.32Å; K201-C205 HydrophobicContact CB-CB 4.26Å; N202-C205 WeakPolarHBondContact O-CA 3.23Å; N202-C205 WeakPolarHBondContact O-CB 3.17Å; N202-C205 PolarHBondContact O-N 2.85Å; P203-C205 PolarHBondContact O-N 2.91Å; P203-C205 VanDerWaalsContact O-N 3.13Å; C205-L211 WeakPolarHBondContact SG-CD2 3.28Å |
| 206 | N | 77.6 | Confident | 82.1 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -85.3 | 134.5 | -176.1 | -85 | -23.5 | 0 | 0 | 0 | 111.9 | K201 P203 N208 Q421 | K201-N206 WeakPolarHBondContact CB-OD1 3.46Å; P203-N206 PolarHBondContact O-N 3Å; N206-N208 PolarHBondContact O-N 2.83Å; N206-Q421 PolarHBondContact O-NE2 2.9Å |
| 207 | N | 62.2 | Low | 81.3 | Confident | 139 Ų | 139 | 52.8 Ų | 52.8 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 54.5 | 18.8 | 174.8 | -53.3 | -45.8 | 0 | 0 | 0 | 117.1 | Q421 | N207-Q421 PolarHBondContact ND2-NE2 3.06Å; N207-Q421 VanDerWaalsContact ND2-NE2 3.13Å |
| 208 | N | 63.9 | Low | 80.8 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | trans | -145.9 | 122.7 | 176.1 | -161 | -13.1 | 0 | 0 | 0 | 112.1 | N206 N210 Y369 | N206-N208 PolarHBondContact O-N 2.83Å; N208-N210 VanDerWaalsContact C-N 3.26Å; N208-N210 PolarHBondContact O-N 3.05Å; N208-N210 WeakPolarHBondContact OD1-CB 3.36Å; N208-N210 PolarHBondContact OD1-N 3.2Å; N208-N210 PolarHBondContact OD1-ND2 2.98Å; N208-Y369 HydrophobicContact CB-CD1 4.04Å; N208-Y369 HydrophobicContact CB-CE1 3.47Å; N208-Y369 VanDerWaalsContact CB-CE1 3.47Å; N208-Y369 HydrophobicContact CB-CE2 4.29Å; N208-Y369 WeakPolarHBondContact ND2-CD1 3.31Å; N208-Y369 WeakPolarHBondContact ND2-CD2 3.46Å; N208-Y369 VanDerWaalsContact ND2-CE1 3.3Å; N208-Y369 WeakPolarHBondContact ND2-CE1 3.22Å; N208-Y369 VanDerWaalsContact ND2-CE2 3.28Å; N208-Y369 WeakPolarHBondContact ND2-CE2 3.3Å | ||
| 209 | N | 70.1 | Confident | 80.4 | Confident | 148 Ų | 148 | 41.7 Ų | 41.7 | 79% | 0.791 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 5.3 | -179.1 | -66.4 | -12 | 0 | 0 | 0 | 113 | P212 | N209-P212 WeakPolarHBondContact O-CD 3.41Š|
| 210 | N | 80.2 | Confident | 79.8 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -5.7 | -173.7 | -63.3 | -22.1 | 0 | 0 | 0 | 114.1 | N208 L213 L214 F367 Y369 | N208-N210 VanDerWaalsContact C-N 3.26Å; N208-N210 PolarHBondContact O-N 3.05Å; N208-N210 WeakPolarHBondContact OD1-CB 3.36Å; N208-N210 PolarHBondContact OD1-N 3.2Å; N208-N210 PolarHBondContact OD1-ND2 2.98Å; N210-L213 HydrophobicContact CB-CD1 4.35Å; N210-L213 WeakPolarHBondContact O-CB 3.48Å; N210-L213 PolarHBondContact O-N 3.47Å; N210-L213 VanDerWaalsContact O-N 3.12Å; N210-L214 PolarHBondContact O-N 2.78Å; N210-L214 VanDerWaalsContact O-N 3.11Å; N210-F367 PolarHBondContact ND2-O 2.92Å; N210-Y369 HydrophobicContact CB-CE2 4.4Å |
| 211 | L | 83.1 | Confident | 79.5 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 177.9 | -175.6 | 61.9 | 0 | 0 | 0 | 113 | F177 L180 I194 C205 L213 L214 L215 Y369 | F177-L211 HydrophobicContact CD2-CD1 4.39Å; F177-L211 HydrophobicContact CE2-CD1 4.34Å; L180-L211 HydrophobicContact CD1-CD1 4.07Å; I194-L211 HydrophobicContact CD1-CD2 4.29Å; I194-L211 HydrophobicContact CG2-CD2 4.13Å; C205-L211 WeakPolarHBondContact SG-CD2 3.28Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 PolarHBondContact O-N 3.03Å; L211-L214 PolarHBondContact O-N 3.45Å; L211-L215 HydrophobicContact CD1-CD1 4.26Å; L211-L215 HydrophobicContact CD1-CG 4.04Å; L211-L215 HydrophobicContact CD2-CD1 4.36Å; L211-L215 HydrophobicContact CG-CD1 3.83Å; L211-L215 HydrophobicContact CG-CG 4.1Å; L211-L215 WeakPolarHBondContact O-CG 3.43Å; L211-L215 PolarHBondContact O-N 2.78Å; L211-Y369 WeakPolarHBondContact CB-OH 3.38Å |
| 212 | P | 82.5 | Confident | 79.5 | Confident | 56 Ų | 56 | 32.6 Ų | 32.6 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.8 | -37.1 | 176.8 | -24.8 | 36.2 | 0 | 0 | 0 | 112.9 | N209 L215 I216 | N209-P212 WeakPolarHBondContact O-CD 3.41Å; P212-L215 PolarHBondContact O-N 2.74Å; P212-I216 VanDerWaalsContact O-CB 3.31Å; P212-I216 WeakPolarHBondContact O-CB 3.33Å; P212-I216 WeakPolarHBondContact O-CD1 3.2Å; P212-I216 WeakPolarHBondContact O-CG1 3.39Å; P212-I216 PolarHBondContact O-N 2.75Å |
| 213 | L | 81 | Confident | 79.5 | Confident | 20 Ų | 20 | 33.8 Ų | 33.8 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 176.1 | -65.5 | 169 | 0 | 0 | 0 | 111.1 | N210 L211 Y217 I239 I242 F367 | N210-L213 HydrophobicContact CB-CD1 4.35Å; N210-L213 WeakPolarHBondContact O-CB 3.48Å; N210-L213 PolarHBondContact O-N 3.47Å; N210-L213 VanDerWaalsContact O-N 3.12Å; L211-L213 VanDerWaalsContact C-N 3.27Å; L211-L213 PolarHBondContact O-N 3.03Å; L213-Y217 VanDerWaalsContact O-CB 3.27Å; L213-Y217 WeakPolarHBondContact O-CB 3.21Å; L213-Y217 PolarHBondContact O-N 2.64Å; L213-Y217 VanDerWaalsContact O-N 3.08Å; L213-I239 HydrophobicContact CD2-CB 4.09Å; L213-I239 HydrophobicContact CD2-CD1 4.31Å; L213-I239 HydrophobicContact CD2-CG1 3.72Å; L213-I239 HydrophobicContact CD2-CG2 3.73Å; L213-I242 HydrophobicContact CD1-CG2 4.03Å; L213-I242 HydrophobicContact CD2-CD1 4.18Å; L213-I242 HydrophobicContact CD2-CG2 4.3Å; L213-F367 HydrophobicContact CB-CD1 4.45Å; L213-F367 HydrophobicContact CD1-CD1 4.46Å |
| 214 | L | 79.2 | Confident | 80 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 177.1 | -79.1 | 170.6 | 0 | 0 | 0 | 112 | F177 N210 L211 Y217 Y218 F367 Y369 | F177-L214 HydrophobicContact CD2-CD1 4.23Å; F177-L214 HydrophobicContact CE1-CD2 4.47Å; F177-L214 HydrophobicContact CE2-CB 3.67Å; F177-L214 HydrophobicContact CE2-CD1 3.9Å; F177-L214 HydrophobicContact CE2-CG 4.27Å; F177-L214 HydrophobicContact CZ-CB 3.8Å; F177-L214 HydrophobicContact CZ-CD1 4.24Å; F177-L214 HydrophobicContact CZ-CD2 4.07Å; F177-L214 HydrophobicContact CZ-CG 4.28Å; N210-L214 PolarHBondContact O-N 2.78Å; N210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 3.45Å; L214-Y217 WeakPolarHBondContact O-CB 3.44Å; L214-Y217 PolarHBondContact O-N 3.11Å; L214-Y218 HydrophobicContact CD2-CD2 4.08Å; L214-Y218 HydrophobicContact CD2-CE2 3.64Å; L214-Y218 VanDerWaalsContact O-CD2 3.31Å; L214-Y218 WeakPolarHBondContact O-CD2 3.24Å; L214-Y218 PolarHBondContact O-N 3.47Å; L214-F367 HydrophobicContact CD1-CB 4.16Å; L214-F367 HydrophobicContact CD2-CB 3.83Å; L214-F367 HydrophobicContact CD2-CD2 4Å; L214-F367 HydrophobicContact CD2-CG 4.1Å; L214-F367 HydrophobicContact CG-CB 3.86Å; L214-F367 HydrophobicContact CG-CG 4.35Å; L214-Y369 HydrophobicContact CD1-CD2 3.79Å; L214-Y369 HydrophobicContact CD1-CE2 3.65Å |
| 215 | L | 83.5 | Confident | 80.3 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -46.8 | 178.6 | -72.9 | 173.5 | 0 | 0 | 0 | 111.4 | L180 L192 I194 L211 P212 Y217 Y218 L219 L222 I225 | L180-L215 HydrophobicContact CB-CD2 4.45Å; L180-L215 HydrophobicContact CD1-CD2 4.02Å; L192-L215 HydrophobicContact CD2-CD1 4.14Å; L192-L215 HydrophobicContact CD2-CD2 3.88Å; I194-L215 HydrophobicContact CG2-CD1 4.19Å; L211-L215 HydrophobicContact CD1-CD1 4.26Å; L211-L215 HydrophobicContact CD1-CG 4.04Å; L211-L215 HydrophobicContact CD2-CD1 4.36Å; L211-L215 HydrophobicContact CG-CD1 3.83Å; L211-L215 HydrophobicContact CG-CG 4.1Å; L211-L215 WeakPolarHBondContact O-CG 3.43Å; L211-L215 PolarHBondContact O-N 2.78Å; P212-L215 PolarHBondContact O-N 2.74Å; L215-Y217 PolarHBondContact O-N 3Å; L215-Y218 PolarHBondContact O-N 2.84Å; L215-L219 HydrophobicContact CD2-CD1 3.83Å; L215-L219 CarbonylContact O-C 3.29Å; L215-L219 VanDerWaalsContact O-CA 3.3Å; L215-L219 WeakPolarHBondContact O-CA 3.4Å; L215-L219 WeakPolarHBondContact O-CB 3.45Å; L215-L219 PolarHBondContact O-N 2.77Å; L215-L222 HydrophobicContact CB-CD1 4.48Å; L215-I225 HydrophobicContact CB-CD1 3.62Å; L215-I225 HydrophobicContact CD1-CD1 4.04Å; L215-I225 HydrophobicContact CD1-CG2 4.16Å |
| 216 | I | 78.3 | Confident | 80.5 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.9 | -33.3 | 178.7 | -70.9 | 166 | 0 | 0 | 0 | 111.2 | P212 P220 I225 I230 I239 | P212-I216 VanDerWaalsContact O-CB 3.31Å; P212-I216 WeakPolarHBondContact O-CB 3.33Å; P212-I216 WeakPolarHBondContact O-CD1 3.2Å; P212-I216 WeakPolarHBondContact O-CG1 3.39Å; P212-I216 PolarHBondContact O-N 2.75Å; I216-P220 WeakPolarHBondContact O-CA 3.48Å; I216-I225 HydrophobicContact CD1-CD1 4.23Å; I216-I225 HydrophobicContact CG1-CD1 3.71Å; I216-I230 HydrophobicContact CD1-CB 4.4Å; I216-I230 HydrophobicContact CD1-CD1 3.81Å; I216-I230 HydrophobicContact CD1-CG1 3.88Å; I216-I230 HydrophobicContact CD1-CG2 3.56Å; I216-I230 HydrophobicContact CG1-CD1 3.86Å; I216-I230 HydrophobicContact CG1-CG1 4.41Å; I216-I230 HydrophobicContact CG1-CG2 3.95Å; I216-I230 HydrophobicContact CG2-CG2 4.41Å; I216-I239 HydrophobicContact CD1-CD1 3.24Å; I216-I239 HydrophobicContact CG1-CD1 4.43Å; I216-I239 HydrophobicContact CG2-CD1 4.32Å; I216-I239 HydrophobicContact CG2-CG2 4.01Å |
| 217 | Y | 76.9 | Confident | 81 | Confident | 26 Ų | 26 | 41 Ų | 41 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.2 | -53.2 | 177.4 | -176.5 | -93.3 | 0 | 0 | 0 | 113.1 | L213 L214 L215 I243 Q821 N822 L823 | L213-Y217 VanDerWaalsContact O-CB 3.27Å; L213-Y217 WeakPolarHBondContact O-CB 3.21Å; L213-Y217 PolarHBondContact O-N 2.64Å; L213-Y217 VanDerWaalsContact O-N 3.08Å; L214-Y217 WeakPolarHBondContact O-CB 3.44Å; L214-Y217 PolarHBondContact O-N 3.11Å; L215-Y217 PolarHBondContact O-N 3Å; Y217-I243 HydrophobicContact CD2-CD1 3.62Å; Y217-I243 HydrophobicContact CD2-CG2 4.17Å; Y217-I243 HydrophobicContact CE2-CG2 4.09Å; Y217-I243 HydrophobicContact CG-CD1 4.2Å; Y217-Q821 WeakPolarHBondContact OH-CA 3.33Å; Y217-Q821 PolarHBondContact OH-O 3.1Å; Y217-N822 WeakPolarHBondContact OH-CA 3.38Å; Y217-N822 PolarHBondContact OH-N 2.8Å; Y217-L823 HydrophobicContact CD1-CD1 3.9Å; Y217-L823 HydrophobicContact CD1-CG 3.97Å; Y217-L823 HydrophobicContact CD2-CD2 4.37Å; Y217-L823 HydrophobicContact CE1-CB 4.35Å; Y217-L823 HydrophobicContact CE1-CD1 3.82Å; Y217-L823 HydrophobicContact CE1-CD2 4.12Å; Y217-L823 HydrophobicContact CE1-CG 3.42Å; Y217-L823 VanDerWaalsContact CE1-CG 3.42Å; Y217-L823 HydrophobicContact CE2-CD2 3.79Å; Y217-L823 HydrophobicContact CE2-CG 4.04Å; Y217-L823 HydrophobicContact CG-CD1 4.48Å; Y217-L823 WeakPolarHBondContact OH-CG 3.46Å; Y217-L823 PolarHBondContact OH-N 3.33Å |
| 218 | Y | 77.8 | Confident | 82.2 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 18% | 0.184 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81.8 | -18.2 | -175.4 | -75.4 | -76.3 | 0 | 0 | 0 | 113.5 | F177 L181 L214 L215 P220 L823 | F177-Y218 AromaticContact CE1-CD2 3.72Å; F177-Y218 HydrophobicContact CE1-CD2 3.72Å; F177-Y218 AromaticContact CE1-CE2 3.62Å; F177-Y218 HydrophobicContact CE1-CE2 3.62Å; F177-Y218 HydrophobicContact CE1-CG 4.4Å; F177-Y218 AromaticContact CZ-CD2 3.43Å; F177-Y218 HydrophobicContact CZ-CD2 3.43Å; F177-Y218 VanDerWaalsContact CZ-CD2 3.43Å; F177-Y218 AromaticContact CZ-CE2 3.75Å; F177-Y218 HydrophobicContact CZ-CE2 3.75Å; F177-Y218 HydrophobicContact CZ-CG 4.2Å; L181-Y218 HydrophobicContact CD2-CD1 3.36Å; L181-Y218 HydrophobicContact CD2-CD2 4.15Å; L181-Y218 HydrophobicContact CD2-CE1 3.96Å; L181-Y218 HydrophobicContact CD2-CG 3.45Å; L181-Y218 VanDerWaalsContact CD2-CG 3.45Å; L214-Y218 HydrophobicContact CD2-CD2 4.08Å; L214-Y218 HydrophobicContact CD2-CE2 3.64Å; L214-Y218 VanDerWaalsContact O-CD2 3.31Å; L214-Y218 WeakPolarHBondContact O-CD2 3.24Å; L214-Y218 PolarHBondContact O-N 3.47Å; L215-Y218 PolarHBondContact O-N 2.84Å; Y218-P220 VanDerWaalsContact C-CD 3.46Å; Y218-L823 HydrophobicContact CE2-CD1 4.1Å |
| 219 | L | 81.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -128.2 | 64.4 | 178.7 | -51.4 | 171 | 0 | 0 | 0 | 110 | L183 N184 L192 L215 Q221 L222 | L183-L219 HydrophobicContact CB-CD1 4.06Å; L183-L219 HydrophobicContact CB-CD2 3.83Å; L183-L219 HydrophobicContact CD1-CD1 4.21Å; N184-L219 VanDerWaalsContact CA-CD2 3.45Å; N184-L219 HydrophobicContact CB-CD2 3.66Å; L192-L219 HydrophobicContact CD2-CD1 4.27Å; L215-L219 HydrophobicContact CD2-CD1 3.83Å; L215-L219 CarbonylContact O-C 3.29Å; L215-L219 VanDerWaalsContact O-CA 3.3Å; L215-L219 WeakPolarHBondContact O-CA 3.4Å; L215-L219 WeakPolarHBondContact O-CB 3.45Å; L215-L219 PolarHBondContact O-N 2.77Å; L219-Q221 VanDerWaalsContact CA-OE1 3.28Å; L219-Q221 PolarHBondContact O-N 3.1Å; L219-L222 HydrophobicContact CB-CD1 3.69Å; L219-L222 HydrophobicContact CB-CG 3.82Å; L219-L222 HydrophobicContact CD1-CD1 3.81Å; L219-L222 HydrophobicContact CG-CD1 4.4Å; L219-L222 WeakPolarHBondContact O-CB 3.19Å; L219-L222 WeakPolarHBondContact O-CG 3.27Å; L219-L222 PolarHBondContact O-N 3.22Å | ||
| 220 | P | 78.4 | Confident | 83.8 | Confident | 57 Ų | 57 | 37 Ų | 37 | 37% | 0.37 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.5 | -174.2 | 27.5 | -36.6 | 0 | 0 | 0 | 114.3 | I216 Y218 L222 | I216-P220 WeakPolarHBondContact O-CA 3.48Å; Y218-P220 VanDerWaalsContact C-CD 3.46Å; P220-L222 VanDerWaalsContact C-N 3.27Å; P220-L222 PolarHBondContact O-N 3.19Å |
| 221 | Q | 81.3 | Confident | 83.7 | Confident | 45 Ų | 45 | 39.4 Ų | 39.4 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -18.3 | 174.4 | 67.7 | -88.7 | 37.1 | 0 | 0 | 113.7 | L189 L219 C223 | L189-Q221 WeakPolarHBondContact O-CG 3.36Å; L219-Q221 VanDerWaalsContact CA-OE1 3.28Å; L219-Q221 PolarHBondContact O-N 3.1Å; Q221-C223 PolarHBondContact O-N 2.92Å |
| 222 | L | 88.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -64.6 | 128.4 | 179.8 | -67.3 | 178.9 | 0 | 0 | 0 | 111 | L189 L192 L215 L219 P220 I225 | L189-L222 HydrophobicContact CD2-CD2 4.44Å; L189-L222 HydrophobicContact CG-CD2 4.23Å; L192-L222 HydrophobicContact CB-CD1 4.08Å; L192-L222 HydrophobicContact CB-CD2 3.92Å; L192-L222 HydrophobicContact CD2-CD1 4.13Å; L215-L222 HydrophobicContact CB-CD1 4.48Å; L219-L222 HydrophobicContact CB-CD1 3.69Å; L219-L222 HydrophobicContact CB-CG 3.82Å; L219-L222 HydrophobicContact CD1-CD1 3.81Å; L219-L222 HydrophobicContact CG-CD1 4.4Å; L219-L222 WeakPolarHBondContact O-CB 3.19Å; L219-L222 WeakPolarHBondContact O-CG 3.27Å; L219-L222 PolarHBondContact O-N 3.22Å; P220-L222 VanDerWaalsContact C-N 3.27Å; P220-L222 PolarHBondContact O-N 3.19Å; L222-I225 HydrophobicContact CD1-CD1 4.03Å; L222-I225 HydrophobicContact CD1-CG1 3.91Å | ||
| 223 | C | 90.4 | Very high | 82.8 | Confident | 25 Ų | 25 | 48 Ų | 48 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -100.7 | -19.2 | 171.9 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | N190 Q221 N229 I230 N231 | N190-C223 PolarHBondContact O-N 2.95Å; N190-C223 PolarHBondContact O-SG 2.85Å; Q221-C223 PolarHBondContact O-N 2.92Å; C223-N229 PolarHBondContact O-OD1 3.08Å; C223-I230 PolarHBondContact O-N 2.98Å; C223-N231 WeakPolarHBondContact CB-ND2 3.4Å |
| 224 | Q | 92.3 | Very high | 82.7 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 135 | -179.2 | -166.2 | -175.9 | -73.6 | 0 | 0 | 110.9 | N190 K191 L192 M228 | N190-Q224 PolarHBondContact O-N 3.49Å; K191-Q224 WeakPolarHBondContact CA-O 3.4Å; K191-Q224 HydrophobicContact CB-CB 4.27Å; K191-Q224 HydrophobicContact CD-CB 4.5Å; K191-Q224 HydrophobicContact CG-CB 3.88Å; L192-Q224 PolarHBondContact N-O 3.02Å; L192-Q224 VanDerWaalsContact N-O 3.09Å; Q224-M228 VanDerWaalsContact CA-O 3.22Å; Q224-M228 WeakPolarHBondContact CA-O 3.29Å; Q224-M228 WeakPolarHBondContact CG-O 3.31Å |
| 225 | I | 91.3 | Very high | 82.6 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.1 | 168.7 | -66.7 | 166.2 | 0 | 0 | 0 | 108.3 | L192 L215 I216 L222 Y227 M228 I230 | L192-I225 CarbonylContact O-C 3.59Å; L192-I225 VanDerWaalsContact O-CA 3.24Å; L192-I225 WeakPolarHBondContact O-CA 3.42Å; L215-I225 HydrophobicContact CB-CD1 3.62Å; L215-I225 HydrophobicContact CD1-CD1 4.04Å; L215-I225 HydrophobicContact CD1-CG2 4.16Å; I216-I225 HydrophobicContact CD1-CD1 4.23Å; I216-I225 HydrophobicContact CG1-CD1 3.71Å; L222-I225 HydrophobicContact CD1-CD1 4.03Å; L222-I225 HydrophobicContact CD1-CG1 3.91Å; I225-Y227 PolarHBondContact O-N 3.5Å; I225-M228 PolarHBondContact N-O 3.37Å; I225-M228 WeakPolarHBondContact O-CA 3.49Å; I225-M228 VanDerWaalsContact O-CB 3.26Å; I225-M228 WeakPolarHBondContact O-CB 3.5Å; I225-M228 PolarHBondContact O-N 3.41Å; I225-I230 HydrophobicContact CB-CD1 3.78Å; I225-I230 HydrophobicContact CD1-CD1 3.44Å; I225-I230 VanDerWaalsContact CD1-CD1 3.44Å; I225-I230 HydrophobicContact CG1-CD1 3.39Å |
| 226 | D | 90.8 | Very high | 82 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.193 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 47 | 178.3 | -58.6 | -39.4 | 0 | 0 | 0 | 112.5 | L192 N193 I194 N195 M228 | L192-D226 PolarHBondContact O-N 2.95Å; N193-D226 WeakPolarHBondContact CA-OD1 3.47Å; I194-D226 PolarHBondContact N-OD1 3.4Å; N195-D226 WeakPolarHBondContact CB-OD2 3.25Å; N195-D226 PolarHBondContact N-OD1 3.3Å; D226-M228 PolarHBondContact O-N 2.82Å |
| 227 | Y | 88.8 | Confident | 81.9 | Confident | 127 Ų | 127 | 61.8 Ų | 61.8 | 50% | 0.498 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -5.5 | -174.1 | -52.2 | -69.6 | 0 | 0 | 0 | 117 | F168 N193 E196 I225 N229 | F168-Y227 HydrophobicContact CE1-CE1 4.36Å; N193-Y227 VanDerWaalsContact ND2-CE1 3.34Å; N193-Y227 WeakPolarHBondContact ND2-CE1 3.26Å; N193-Y227 WeakPolarHBondContact ND2-CE2 3.37Å; N193-Y227 PolarHBondContact ND2-OH 2.89Å; E196-Y227 HydrophobicContact CG-CD2 4.48Å; E196-Y227 HydrophobicContact CG-CE2 3.83Å; E196-Y227 WeakPolarHBondContact OE1-CE2 3.41Å; E196-Y227 PolarHBondContact OE1-OH 3.38Å; I225-Y227 PolarHBondContact O-N 3.5Å; Y227-N229 PolarHBondContact O-N 3.5Å |
| 228 | M | 86.7 | Confident | 82.1 | Confident | 127 Ų | 127 | 65.1 Ų | 65.1 | 63% | 0.626 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 121.2 | 174.2 | -66.9 | -74.8 | -72.8 | 0 | 0 | 110.9 | Q224 I225 D226 I230 | Q224-M228 VanDerWaalsContact CA-O 3.22Å; Q224-M228 WeakPolarHBondContact CA-O 3.29Å; Q224-M228 WeakPolarHBondContact CG-O 3.31Å; I225-M228 PolarHBondContact N-O 3.37Å; I225-M228 WeakPolarHBondContact O-CA 3.49Å; I225-M228 VanDerWaalsContact O-CB 3.26Å; I225-M228 WeakPolarHBondContact O-CB 3.5Å; I225-M228 PolarHBondContact O-N 3.41Å; D226-M228 PolarHBondContact O-N 2.82Å; M228-I230 PolarHBondContact O-N 3.5Å |
| 229 | N | 86.9 | Confident | 82 | Confident | 84 Ų | 84 | 63.5 Ų | 63.5 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 115.3 | 175.9 | -175.5 | -13.8 | 0 | 0 | 0 | 111.1 | C223 Y227 N231 | C223-N229 PolarHBondContact O-OD1 3.08Å; Y227-N229 PolarHBondContact O-N 3.5Å; N229-N231 WeakPolarHBondContact OD1-CB 3.42Å; N229-N231 PolarHBondContact OD1-N 3.04Å |
| 230 | I | 81.5 | Confident | 81.8 | Confident | 7 Ų | 7 | 65.1 Ų | 65.1 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | trans | -90.9 | -15.8 | -177.2 | -59 | 152 | 0 | 0 | 0 | 111.5 | I216 C223 I225 M228 Q232 K236 | I216-I230 HydrophobicContact CD1-CB 4.4Å; I216-I230 HydrophobicContact CD1-CD1 3.81Å; I216-I230 HydrophobicContact CD1-CG1 3.88Å; I216-I230 HydrophobicContact CD1-CG2 3.56Å; I216-I230 HydrophobicContact CG1-CD1 3.86Å; I216-I230 HydrophobicContact CG1-CG1 4.41Å; I216-I230 HydrophobicContact CG1-CG2 3.95Å; I216-I230 HydrophobicContact CG2-CG2 4.41Å; C223-I230 PolarHBondContact O-N 2.98Å; I225-I230 HydrophobicContact CB-CD1 3.78Å; I225-I230 HydrophobicContact CD1-CD1 3.44Å; I225-I230 VanDerWaalsContact CD1-CD1 3.44Å; I225-I230 HydrophobicContact CG1-CD1 3.39Å; M228-I230 PolarHBondContact O-N 3.5Å; I230-Q232 PolarHBondContact O-N 3.36Å; I230-Q232 VanDerWaalsContact O-N 3.13Å; I230-K236 HydrophobicContact CG2-CG 4.06Å; I230-K236 WeakPolarHBondContact O-CG 3.17Å | ||
| 231 | N | 76.4 | Confident | 81.9 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | trans | -70.8 | -4.3 | 179.1 | -80.5 | -12.6 | 0 | 0 | 0 | 113.8 | C223 N229 L233 K236 | C223-N231 WeakPolarHBondContact CB-ND2 3.4Å; N229-N231 WeakPolarHBondContact OD1-CB 3.42Å; N229-N231 PolarHBondContact OD1-N 3.04Å; N231-L233 PolarHBondContact O-N 3.08Å; N231-L233 VanDerWaalsContact O-N 3.11Å; N231-K236 PolarHBondContact OD1-NZ 3.37Å | ||
| 232 | Q | 77 | Confident | 82.1 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 54% | 0.537 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -60.6 | 115.6 | 167.1 | -65.9 | -173.2 | -16.8 | 0 | 0 | 109.3 | I230 N234 I235 K236 | I230-Q232 PolarHBondContact O-N 3.36Å; I230-Q232 VanDerWaalsContact O-N 3.13Å; Q232-N234 PolarHBondContact O-N 3.34Å; Q232-I235 HydrophobicContact CB-CD1 4.18Å; Q232-I235 HydrophobicContact CB-CG1 4.28Å; Q232-I235 PolarHBondContact O-N 2.81Å; Q232-K236 PolarHBondContact O-N 3.12Å |
| 233 | L | 69.7 | Low | 81.7 | Confident | 131 Ų | 131 | 68.9 Ų | 68.9 | 69% | 0.686 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -46.5 | -40.2 | -173.8 | -166.9 | 80.3 | 0 | 0 | 0 | 112.4 | N231 I235 L237 | N231-L233 PolarHBondContact O-N 3.08Å; N231-L233 VanDerWaalsContact O-N 3.11Å; L233-I235 PolarHBondContact O-N 3.01Å; L233-L237 HydrophobicContact CD2-CD1 4.38Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 VanDerWaalsContact O-CG 3.26Å; L233-L237 WeakPolarHBondContact O-CG 3.08Å; L233-L237 PolarHBondContact O-N 2.92Å; L233-L237 VanDerWaalsContact O-N 3.11Å |
| 234 | N | 79.8 | Confident | 81.4 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | -179.4 | -63.9 | -10.7 | 0 | 0 | 0 | 113.2 | Q232 L237 I238 | Q232-N234 PolarHBondContact O-N 3.34Å; N234-L237 PolarHBondContact O-N 2.91Å; N234-I238 WeakPolarHBondContact O-CD1 3.42Å; N234-I238 VanDerWaalsContact O-CG1 3.23Å; N234-I238 WeakPolarHBondContact O-CG1 3.17Å; N234-I238 PolarHBondContact O-N 3.1Å |
| 235 | I | 76.6 | Confident | 81.2 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.1 | -47.7 | -177.6 | -62.9 | 177.7 | 0 | 0 | 0 | 109.9 | Q232 L233 L237 I238 I239 | Q232-I235 HydrophobicContact CB-CD1 4.18Å; Q232-I235 HydrophobicContact CB-CG1 4.28Å; Q232-I235 PolarHBondContact O-N 2.81Å; L233-I235 PolarHBondContact O-N 3.01Å; I235-L237 VanDerWaalsContact C-N 3.29Å; I235-L237 PolarHBondContact O-N 3.2Å; I235-I238 PolarHBondContact O-N 3.29Å; I235-I239 HydrophobicContact CG2-CD1 3.7Å; I235-I239 HydrophobicContact CG2-CG1 4.33Å; I235-I239 WeakPolarHBondContact O-CB 3.18Å; I235-I239 VanDerWaalsContact O-CG1 3.26Å; I235-I239 WeakPolarHBondContact O-CG1 3.39Å; I235-I239 PolarHBondContact O-N 3.18Å |
| 236 | K | 72.1 | Confident | 81 | Confident | 65 Ų | 65 | 75.4 Ų | 75.4 | 28% | 0.283 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.3 | -42.3 | 176.4 | -84.2 | 178.2 | 175.4 | -177.6 | 0 | 111.7 | I230 N231 Q232 I239 N240 | I230-K236 HydrophobicContact CG2-CG 4.06Å; I230-K236 WeakPolarHBondContact O-CG 3.17Å; N231-K236 PolarHBondContact OD1-NZ 3.37Å; Q232-K236 PolarHBondContact O-N 3.12Å; K236-I239 PolarHBondContact O-N 3.43Å; K236-N240 WeakPolarHBondContact O-CB 3.15Å; K236-N240 PolarHBondContact O-N 3.01Å; K236-N240 PolarHBondContact O-ND2 3.02Å |
| 237 | L | 75.5 | Confident | 81 | Confident | 101 Ų | 101 | 74.3 Ų | 74.3 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 177.2 | -71.7 | 172.1 | 0 | 0 | 0 | 112.2 | L233 N234 I235 I239 N240 E241 | L233-L237 HydrophobicContact CD2-CD1 4.38Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 VanDerWaalsContact O-CG 3.26Å; L233-L237 WeakPolarHBondContact O-CG 3.08Å; L233-L237 PolarHBondContact O-N 2.92Å; L233-L237 VanDerWaalsContact O-N 3.11Å; N234-L237 PolarHBondContact O-N 2.91Å; I235-L237 VanDerWaalsContact C-N 3.29Å; I235-L237 PolarHBondContact O-N 3.2Å; L237-I239 VanDerWaalsContact C-N 3.33Å; L237-I239 PolarHBondContact O-N 2.97Å; L237-N240 PolarHBondContact O-N 3.18Å; L237-E241 PolarHBondContact O-N 3Å |
| 238 | I | 81.5 | Confident | 81.1 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 178 | -70 | 164.5 | 0 | 0 | 0 | 110.9 | N234 I235 E241 I242 | N234-I238 WeakPolarHBondContact O-CD1 3.42Å; N234-I238 VanDerWaalsContact O-CG1 3.23Å; N234-I238 WeakPolarHBondContact O-CG1 3.17Å; N234-I238 PolarHBondContact O-N 3.1Å; I235-I238 PolarHBondContact O-N 3.29Å; I238-E241 WeakPolarHBondContact O-CB 3.14Å; I238-E241 PolarHBondContact O-N 2.88Å; I238-I242 HydrophobicContact CG2-CD1 3.87Å; I238-I242 HydrophobicContact CG2-CG1 4.45Å; I238-I242 WeakPolarHBondContact O-CG1 3.37Å; I238-I242 PolarHBondContact O-N 2.96Å |
| 239 | I | 76.1 | Confident | 81.3 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | -179.9 | -68.9 | 177.7 | 0 | 0 | 0 | 110.9 | L213 I216 I235 K236 L237 E241 I242 I243 | L213-I239 HydrophobicContact CD2-CB 4.09Å; L213-I239 HydrophobicContact CD2-CD1 4.31Å; L213-I239 HydrophobicContact CD2-CG1 3.72Å; L213-I239 HydrophobicContact CD2-CG2 3.73Å; I216-I239 HydrophobicContact CD1-CD1 3.24Å; I216-I239 HydrophobicContact CG1-CD1 4.43Å; I216-I239 HydrophobicContact CG2-CD1 4.32Å; I216-I239 HydrophobicContact CG2-CG2 4.01Å; I235-I239 HydrophobicContact CG2-CD1 3.7Å; I235-I239 HydrophobicContact CG2-CG1 4.33Å; I235-I239 WeakPolarHBondContact O-CB 3.18Å; I235-I239 VanDerWaalsContact O-CG1 3.26Å; I235-I239 WeakPolarHBondContact O-CG1 3.39Å; I235-I239 PolarHBondContact O-N 3.18Å; K236-I239 PolarHBondContact O-N 3.43Å; L237-I239 VanDerWaalsContact C-N 3.33Å; L237-I239 PolarHBondContact O-N 2.97Å; I239-E241 PolarHBondContact O-N 2.87Å; I239-I242 PolarHBondContact O-N 3.2Å; I239-I243 HydrophobicContact CG2-CD1 3.78Å; I239-I243 HydrophobicContact CG2-CG1 4.4Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.47Å; I239-I243 PolarHBondContact O-N 3.05Å |
| 240 | N | 75.6 | Confident | 81.6 | Confident | 35 Ų | 35 | 63 Ų | 63 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -37.3 | 175.5 | -72.3 | -37.9 | 0 | 0 | 0 | 111.8 | K236 L237 I243 K244 F819 | K236-N240 WeakPolarHBondContact O-CB 3.15Å; K236-N240 PolarHBondContact O-N 3.01Å; K236-N240 PolarHBondContact O-ND2 3.02Å; L237-N240 PolarHBondContact O-N 3.18Å; N240-I243 PolarHBondContact O-N 3.44Å; N240-K244 WeakPolarHBondContact O-CB 3.41Å; N240-K244 VanDerWaalsContact O-CG 3.23Å; N240-K244 WeakPolarHBondContact O-CG 3.5Å; N240-K244 PolarHBondContact O-N 2.85Å; N240-F819 VanDerWaalsContact CG-CE1 3.48Å; N240-F819 WeakPolarHBondContact ND2-CE1 3.41Å; N240-F819 WeakPolarHBondContact ND2-CZ 3.46Å |
| 241 | E | 82 | Confident | 82.2 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 175.4 | -163.5 | 178.7 | 169.7 | 0 | 0 | 112 | L237 I238 I239 I243 K244 N245 | L237-E241 PolarHBondContact O-N 3Å; I238-E241 WeakPolarHBondContact O-CB 3.14Å; I238-E241 PolarHBondContact O-N 2.88Å; I239-E241 PolarHBondContact O-N 2.87Å; E241-I243 VanDerWaalsContact C-N 3.33Å; E241-I243 PolarHBondContact O-N 3.37Å; E241-K244 PolarHBondContact O-N 3.15Å; E241-N245 WeakPolarHBondContact O-CB 3.23Å; E241-N245 PolarHBondContact O-N 2.84Å; E241-N245 PolarHBondContact O-ND2 2.92Å; E241-N245 VanDerWaalsContact O-ND2 3.17Å |
| 242 | I | 84.4 | Confident | 83 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59 | -45 | 174.3 | -68.7 | 166.4 | 0 | 0 | 0 | 110.8 | L213 I238 I239 N245 K246 | L213-I242 HydrophobicContact CD1-CG2 4.03Å; L213-I242 HydrophobicContact CD2-CD1 4.18Å; L213-I242 HydrophobicContact CD2-CG2 4.3Å; I238-I242 HydrophobicContact CG2-CD1 3.87Å; I238-I242 HydrophobicContact CG2-CG1 4.45Å; I238-I242 WeakPolarHBondContact O-CG1 3.37Å; I238-I242 PolarHBondContact O-N 2.96Å; I239-I242 PolarHBondContact O-N 3.2Å; I242-N245 PolarHBondContact O-N 2.82Å; I242-K246 PolarHBondContact O-N 3.4Å |
| 243 | I | 81.5 | Confident | 83.8 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -45.8 | -178.9 | -67.5 | 173.2 | 0 | 0 | 0 | 110.8 | Y217 I239 N240 E241 N245 K246 K247 F367 L823 | Y217-I243 HydrophobicContact CD2-CD1 3.62Å; Y217-I243 HydrophobicContact CD2-CG2 4.17Å; Y217-I243 HydrophobicContact CE2-CG2 4.09Å; Y217-I243 HydrophobicContact CG-CD1 4.2Å; I239-I243 HydrophobicContact CG2-CD1 3.78Å; I239-I243 HydrophobicContact CG2-CG1 4.4Å; I239-I243 VanDerWaalsContact O-CG1 3.27Å; I239-I243 WeakPolarHBondContact O-CG1 3.47Å; I239-I243 PolarHBondContact O-N 3.05Å; N240-I243 PolarHBondContact O-N 3.44Å; E241-I243 VanDerWaalsContact C-N 3.33Å; E241-I243 PolarHBondContact O-N 3.37Å; I243-N245 PolarHBondContact O-N 3.16Å; I243-K246 PolarHBondContact O-N 3.12Å; I243-K247 PolarHBondContact O-N 3.4Å; I243-F367 HydrophobicContact CB-CZ 4.17Å; I243-F367 HydrophobicContact CG1-CE1 3.97Å; I243-F367 HydrophobicContact CG1-CZ 3.74Å; I243-F367 HydrophobicContact CG2-CZ 4.16Å; I243-L823 HydrophobicContact CG2-CD2 3.85Å |
| 244 | K | 84 | Confident | 85 | Confident | 98 Ų | 98 | 51 Ų | 51 | 43% | 0.426 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -50 | 173.8 | -75.5 | 175.1 | -179 | -172.8 | 0 | 111 | N240 E241 K246 K247 S248 | N240-K244 WeakPolarHBondContact O-CB 3.41Å; N240-K244 VanDerWaalsContact O-CG 3.23Å; N240-K244 WeakPolarHBondContact O-CG 3.5Å; N240-K244 PolarHBondContact O-N 2.85Å; E241-K244 PolarHBondContact O-N 3.15Å; K244-K246 VanDerWaalsContact C-N 3.3Å; K244-K246 PolarHBondContact O-N 2.91Å; K244-K247 PolarHBondContact O-N 3.43Å; K244-K247 VanDerWaalsContact O-N 3.13Å; K244-S248 WeakPolarHBondContact O-CB 3.44Å; K244-S248 PolarHBondContact O-N 3.03Å; K244-S248 PolarHBondContact O-OG 3.23Å |
| 245 | N | 86.4 | Confident | 85.6 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.2 | -38.4 | 178.9 | -70.5 | -26.9 | 0 | 0 | 0 | 112.6 | E241 I242 I243 Y249 | E241-N245 WeakPolarHBondContact O-CB 3.23Å; E241-N245 PolarHBondContact O-N 2.84Å; E241-N245 PolarHBondContact O-ND2 2.92Å; E241-N245 VanDerWaalsContact O-ND2 3.17Å; I242-N245 PolarHBondContact O-N 2.82Å; I243-N245 PolarHBondContact O-N 3.16Å; N245-Y249 WeakPolarHBondContact O-CB 3.32Å; N245-Y249 PolarHBondContact O-N 3.21Å |
| 246 | K | 87.9 | Confident | 86.3 | Confident | 45 Ų | 45 | 44.8 Ų | 44.8 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 173.8 | -76.5 | -144.1 | -171 | -178 | 0 | 112.4 | I242 I243 K244 S248 Y249 Y250 L364 F367 | I242-K246 PolarHBondContact O-N 3.4Å; I243-K246 PolarHBondContact O-N 3.12Å; K244-K246 VanDerWaalsContact C-N 3.3Å; K244-K246 PolarHBondContact O-N 2.91Å; K246-S248 VanDerWaalsContact C-N 3.31Å; K246-S248 PolarHBondContact O-N 2.88Å; K246-Y249 WeakPolarHBondContact O-CB 3.49Å; K246-Y249 PolarHBondContact O-N 3.24Å; K246-Y250 VanDerWaalsContact O-CD2 3.25Å; K246-Y250 WeakPolarHBondContact O-CD2 3.44Å; K246-Y250 PolarHBondContact O-N 3.05Å; K246-Y250 VanDerWaalsContact O-N 3.14Å; K246-L364 HydrophobicContact CB-CD1 4.26Å; K246-F367 HydrophobicContact CB-CE1 4.28Å; K246-F367 HydrophobicContact CB-CZ 4.03Å; K246-F367 HydrophobicContact CD-CD1 3.64Å; K246-F367 HydrophobicContact CD-CE1 3.48Å; K246-F367 VanDerWaalsContact CD-CE1 3.48Å; K246-F367 HydrophobicContact CD-CE2 4.49Å; K246-F367 HydrophobicContact CD-CG 4.23Å; K246-F367 HydrophobicContact CD-CZ 3.92Å; K246-F367 HydrophobicContact CG-CE1 4Å; K246-F367 HydrophobicContact CG-CZ 4.27Å; K246-F367 PolarHBondContact NZ-O 2.81Å |
| 247 | K | 89.7 | Confident | 87.2 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56 | -48.9 | 175.4 | -69.7 | -170.6 | -171.8 | -171.2 | 0 | 110.8 | I243 K244 Y249 Y250 R251 L364 D820 N822 L823 | I243-K247 PolarHBondContact O-N 3.4Å; K244-K247 PolarHBondContact O-N 3.43Å; K244-K247 VanDerWaalsContact O-N 3.13Å; K247-Y249 VanDerWaalsContact C-N 3.3Å; K247-Y249 PolarHBondContact O-N 3.13Å; K247-Y250 PolarHBondContact O-N 2.96Å; K247-R251 VanDerWaalsContact O-CB 3.3Å; K247-R251 WeakPolarHBondContact O-CB 3.5Å; K247-R251 PolarHBondContact O-N 2.88Å; K247-L364 HydrophobicContact CG-CD1 4.22Å; K247-L364 HydrophobicContact CG-CD2 4.37Å; K247-D820 VanDerWaalsContact NZ-CG 3.33Å; K247-D820 PolarHBondContact NZ-O 2.94Å; K247-D820 IonicContact NZ-OD1 2.69Å; K247-D820 IonicContact NZ-OD2 3.61Å; K247-D820 PolarHBondContact NZ-OD2 2.85Å; K247-N822 WeakPolarHBondContact CE-O 3.41Å; K247-N822 PolarHBondContact NZ-O 3.33Å; K247-L823 HydrophobicContact CG-CD2 4.43Å |
| 248 | S | 91.5 | Very high | 88 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.3 | -43.4 | 177.2 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | K244 K246 M252 E970 I995 | K244-S248 WeakPolarHBondContact O-CB 3.44Å; K244-S248 PolarHBondContact O-N 3.03Å; K244-S248 PolarHBondContact O-OG 3.23Å; K246-S248 VanDerWaalsContact C-N 3.31Å; K246-S248 PolarHBondContact O-N 2.88Å; S248-M252 WeakPolarHBondContact O-CB 3.46Å; S248-M252 PolarHBondContact O-N 3.41Å; S248-E970 WeakPolarHBondContact CA-OE1 3.31Å; S248-E970 WeakPolarHBondContact CB-OE1 3.44Å; S248-E970 PolarHBondContact OG-OE1 3.28Å; S248-I995 WeakPolarHBondContact O-CD1 3.19Å |
| 249 | Y | 92.4 | Very high | 88.5 | Confident | 68 Ų | 68 | 33.8 Ų | 33.8 | 27% | 0.267 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 177.6 | 170.3 | -104.3 | 0 | 0 | 0 | 113.3 | N245 K246 K247 M252 K253 Q1028 | N245-Y249 WeakPolarHBondContact O-CB 3.32Å; N245-Y249 PolarHBondContact O-N 3.21Å; K246-Y249 WeakPolarHBondContact O-CB 3.49Å; K246-Y249 PolarHBondContact O-N 3.24Å; K247-Y249 VanDerWaalsContact C-N 3.3Å; K247-Y249 PolarHBondContact O-N 3.13Å; Y249-M252 HydrophobicContact CD2-CE 4.06Å; Y249-M252 HydrophobicContact CE2-CE 4.47Å; Y249-M252 PolarHBondContact O-N 2.65Å; Y249-K253 HydrophobicContact CE1-CD 4.15Å; Y249-K253 HydrophobicContact CE2-CD 4.46Å; Y249-K253 PolarHBondContact O-N 3.3Å; Y249-K253 VanDerWaalsContact O-N 3.08Å; Y249-K253 WeakPolarHBondContact OH-CE 3.26Å; Y249-K253 PolarHBondContact OH-NZ 2.75Å; Y249-Q1028 VanDerWaalsContact CD2-NE2 3.34Å |
| 250 | Y | 92.8 | Very high | 89 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 8% | 0.078 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.9 | -36.3 | -179.5 | -72 | -74.2 | 0 | 0 | 0 | 112.5 | K246 K247 M252 K253 N254 Y360 E363 L364 | K246-Y250 VanDerWaalsContact O-CD2 3.25Å; K246-Y250 WeakPolarHBondContact O-CD2 3.44Å; K246-Y250 PolarHBondContact O-N 3.05Å; K246-Y250 VanDerWaalsContact O-N 3.14Å; K247-Y250 PolarHBondContact O-N 2.96Å; Y250-M252 VanDerWaalsContact C-N 3.32Å; Y250-M252 PolarHBondContact O-N 2.74Å; Y250-K253 PolarHBondContact O-N 2.93Å; Y250-N254 PolarHBondContact O-N 3.4Å; Y250-Y360 HydrophobicContact CD1-CD1 4.36Å; Y250-E363 HydrophobicContact CD1-CB 4.35Å; Y250-E363 HydrophobicContact CE1-CB 3.48Å; Y250-E363 VanDerWaalsContact CE1-CB 3.48Å; Y250-E363 HydrophobicContact CE1-CG 4.42Å; Y250-E363 WeakPolarHBondContact CE1-OE2 3.22Å; Y250-L364 HydrophobicContact CD2-CB 3.68Å; Y250-L364 HydrophobicContact CD2-CD1 3.83Å; Y250-L364 HydrophobicContact CD2-CG 4.27Å; Y250-L364 HydrophobicContact CE2-CB 4.12Å; Y250-L364 HydrophobicContact CE2-CD1 4.35Å; Y250-L364 HydrophobicContact CG-CB 4.01Å |
| 251 | R | 93.2 | Very high | 89.6 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 171.6 | -175.2 | 177.3 | -62.9 | -160.2 | -0.6 | 110.9 | K247 K253 N254 E255 E970 | K247-R251 VanDerWaalsContact O-CB 3.3Å; K247-R251 WeakPolarHBondContact O-CB 3.5Å; K247-R251 PolarHBondContact O-N 2.88Å; R251-K253 PolarHBondContact O-N 3.46Å; R251-N254 WeakPolarHBondContact O-CB 3.44Å; R251-N254 PolarHBondContact O-N 3.29Å; R251-E255 HydrophobicContact CG-CG 4.06Å; R251-E255 WeakPolarHBondContact O-CB 3.27Å; R251-E255 WeakPolarHBondContact O-CG 3.49Å; R251-E255 PolarHBondContact O-N 2.99Å; R251-E970 WeakPolarHBondContact CD-OE2 3.43Å |
| 252 | M | 94.4 | Very high | 90 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 176.2 | 176.7 | -160.6 | 75.1 | 0 | 0 | 113.1 | S248 Y249 Y250 N254 E255 N256 Y972 I995 S1023 G1026 | S248-M252 WeakPolarHBondContact O-CB 3.46Å; S248-M252 PolarHBondContact O-N 3.41Å; Y249-M252 HydrophobicContact CD2-CE 4.06Å; Y249-M252 HydrophobicContact CE2-CE 4.47Å; Y249-M252 PolarHBondContact O-N 2.65Å; Y250-M252 VanDerWaalsContact C-N 3.32Å; Y250-M252 PolarHBondContact O-N 2.74Å; M252-N254 VanDerWaalsContact C-N 3.3Å; M252-N254 PolarHBondContact O-N 3.38Å; M252-E255 PolarHBondContact O-N 3.19Å; M252-N256 WeakPolarHBondContact O-CB 3.3Å; M252-N256 PolarHBondContact O-N 2.8Å; M252-Y972 WeakPolarHBondContact CA-OH 3.24Å; M252-Y972 HydrophobicContact CB-CE1 4.25Å; M252-Y972 HydrophobicContact CG-CE1 4.41Å; M252-Y972 PolarHBondContact N-OH 3.18Å; M252-I995 HydrophobicContact CB-CD1 4.11Å; M252-I995 HydrophobicContact CB-CG2 4.02Å; M252-I995 HydrophobicContact CG-CG2 3.71Å; M252-I995 HydrophobicContact SD-CD1 4.43Å; M252-I995 HydrophobicContact SD-CG1 4.17Å; M252-I995 HydrophobicContact SD-CG2 4.03Å; M252-S1023 WeakPolarHBondContact SD-CB 3.46Å; M252-S1023 PolarHBondContact SD-OG 2.88Å; M252-G1026 VanDerWaalsContact CE-O 3.32Å; M252-G1026 WeakPolarHBondContact CE-O 3.23Å |
| 253 | K | 93.1 | Very high | 90.1 | Very high | 59 Ų | 59 | 31 Ų | 31 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 174.6 | -80.6 | -171.1 | 163.3 | -171.8 | 0 | 111.6 | Y249 Y250 R251 A257 Y360 | Y249-K253 HydrophobicContact CE1-CD 4.15Å; Y249-K253 HydrophobicContact CE2-CD 4.46Å; Y249-K253 PolarHBondContact O-N 3.3Å; Y249-K253 VanDerWaalsContact O-N 3.08Å; Y249-K253 WeakPolarHBondContact OH-CE 3.26Å; Y249-K253 PolarHBondContact OH-NZ 2.75Å; Y250-K253 PolarHBondContact O-N 2.93Å; R251-K253 PolarHBondContact O-N 3.46Å; K253-A257 WeakPolarHBondContact O-CB 3.42Å; K253-A257 PolarHBondContact O-N 2.96Å; K253-Y360 HydrophobicContact CB-CD1 4.44Å; K253-Y360 HydrophobicContact CB-CD2 4.37Å; K253-Y360 HydrophobicContact CB-CE1 4.11Å; K253-Y360 HydrophobicContact CB-CE2 4.03Å; K253-Y360 HydrophobicContact CD-CD1 4.31Å; K253-Y360 HydrophobicContact CD-CE1 3.89Å |
| 254 | N | 93.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -53.8 | 176.4 | 176 | 41.7 | 0 | 0 | 0 | 112.2 | Y250 R251 M252 N256 A257 Q258 Q357 Y360 I825 | Y250-N254 PolarHBondContact O-N 3.4Å; R251-N254 WeakPolarHBondContact O-CB 3.44Å; R251-N254 PolarHBondContact O-N 3.29Å; M252-N254 VanDerWaalsContact C-N 3.3Å; M252-N254 PolarHBondContact O-N 3.38Å; N254-N256 VanDerWaalsContact C-N 3.29Å; N254-N256 PolarHBondContact O-N 3.12Å; N254-A257 WeakPolarHBondContact O-CB 3.26Å; N254-A257 PolarHBondContact O-N 3.39Å; N254-Q258 PolarHBondContact ND2-NE2 2.69Å; N254-Q258 WeakPolarHBondContact O-CG 3.49Å; N254-Q258 PolarHBondContact O-N 3.14Å; N254-Q258 PolarHBondContact OD1-NE2 3.06Å; N254-Q357 WeakPolarHBondContact OD1-CG 3.24Å; N254-Q357 PolarHBondContact OD1-NE2 3.49Å; N254-Y360 HydrophobicContact CB-CD2 4.06Å; N254-I825 HydrophobicContact CB-CD1 3.91Å |
| 255 | E | 94.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.5 | -40.8 | -177.9 | -68.3 | -81.7 | -138 | 0 | 0 | 111.6 | R251 M252 Q258 T259 S950 R952 Y972 | R251-E255 HydrophobicContact CG-CG 4.06Å; R251-E255 WeakPolarHBondContact O-CB 3.27Å; R251-E255 WeakPolarHBondContact O-CG 3.49Å; R251-E255 PolarHBondContact O-N 2.99Å; M252-E255 PolarHBondContact O-N 3.19Å; E255-Q258 PolarHBondContact O-N 3.24Å; E255-Q258 PolarHBondContact OE2-OE1 3.01Å; E255-T259 PolarHBondContact O-N 3.04Å; E255-T259 PolarHBondContact O-OG1 3.12Å; E255-S950 VanDerWaalsContact OE1-CB 3.31Å; E255-S950 WeakPolarHBondContact OE1-CB 3.46Å; E255-S950 PolarHBondContact OE1-OG 3.1Å; E255-R952 IonicContact OE2-CZ 2.85Å; E255-R952 IonicContact OE2-NE 2.65Å; E255-R952 PolarHBondContact OE2-NE 3.23Å; E255-R952 IonicContact OE2-NH2 2.96Å; E255-R952 PolarHBondContact OE2-NH2 3.11Å; E255-Y972 HydrophobicContact CB-CD1 3.56Å; E255-Y972 HydrophobicContact CB-CE1 3.61Å; E255-Y972 HydrophobicContact CB-CG 4.12Å; E255-Y972 HydrophobicContact CG-CD1 3.92Å; E255-Y972 HydrophobicContact CG-CD2 4.16Å; E255-Y972 HydrophobicContact CG-CE1 3.81Å; E255-Y972 HydrophobicContact CG-CE2 4.04Å; E255-Y972 HydrophobicContact CG-CG 4.1Å |
| 256 | N | 91.1 | Very high | 90.5 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67 | -41.2 | 174.8 | -172.4 | 57.8 | 0 | 0 | 0 | 112.4 | M252 N254 Q258 T259 L260 T999 | M252-N256 WeakPolarHBondContact O-CB 3.3Å; M252-N256 PolarHBondContact O-N 2.8Å; N254-N256 VanDerWaalsContact C-N 3.29Å; N254-N256 PolarHBondContact O-N 3.12Å; N256-Q258 VanDerWaalsContact C-N 3.32Å; N256-Q258 PolarHBondContact O-N 3.09Å; N256-T259 PolarHBondContact O-N 3.07Å; N256-L260 WeakPolarHBondContact O-CG 3.48Å; N256-L260 PolarHBondContact O-N 3.09Å; N256-T999 PolarHBondContact OD1-OG1 3.36Å |
| 257 | A | 90.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K253 N254 L260 I261 L353 Y360 | K253-A257 WeakPolarHBondContact O-CB 3.42Å; K253-A257 PolarHBondContact O-N 2.96Å; N254-A257 WeakPolarHBondContact O-CB 3.26Å; N254-A257 PolarHBondContact O-N 3.39Å; A257-L260 PolarHBondContact O-N 3.12Å; A257-I261 WeakPolarHBondContact O-CG1 3.43Å; A257-I261 PolarHBondContact O-N 2.92Å; A257-L353 HydrophobicContact CB-CD1 4.2Å; A257-Y360 HydrophobicContact CB-CE2 4.42Å |
| 258 | Q | 92.5 | Very high | 90 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 173.6 | -67.6 | -173.5 | 2 | 0 | 0 | 111.1 | N254 E255 N256 L260 I261 E262 L353 | N254-Q258 PolarHBondContact ND2-NE2 2.69Å; N254-Q258 WeakPolarHBondContact O-CG 3.49Å; N254-Q258 PolarHBondContact O-N 3.14Å; N254-Q258 PolarHBondContact OD1-NE2 3.06Å; E255-Q258 PolarHBondContact O-N 3.24Å; E255-Q258 PolarHBondContact OE2-OE1 3.01Å; N256-Q258 VanDerWaalsContact C-N 3.32Å; N256-Q258 PolarHBondContact O-N 3.09Å; Q258-L260 VanDerWaalsContact C-N 3.34Å; Q258-L260 PolarHBondContact O-N 3.47Å; Q258-I261 PolarHBondContact O-N 3Å; Q258-E262 WeakPolarHBondContact O-CB 3.45Å; Q258-E262 WeakPolarHBondContact O-CG 3.21Å; Q258-E262 PolarHBondContact O-N 2.92Å; Q258-L353 HydrophobicContact CB-CD1 4.34Å; Q258-L353 HydrophobicContact CB-CD2 4.35Å; Q258-L353 HydrophobicContact CG-CD1 3.7Å; Q258-L353 HydrophobicContact CG-CD2 3.88Å; Q258-L353 HydrophobicContact CG-CG 4.21Å |
| 259 | T | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.8 | -41.9 | 177.3 | -71.1 | 0 | 0 | 0 | 0 | 113.1 | E255 N256 K263 R952 N975 E997 T999 | E255-T259 PolarHBondContact O-N 3.04Å; E255-T259 PolarHBondContact O-OG1 3.12Å; N256-T259 PolarHBondContact O-N 3.07Å; T259-K263 PolarHBondContact O-N 3.3Å; T259-K263 VanDerWaalsContact O-N 3.09Å; T259-R952 WeakPolarHBondContact OG1-CD 3.46Å; T259-R952 PolarHBondContact OG1-NH1 3.22Å; T259-N975 PolarHBondContact O-ND2 2.8Å; T259-E997 WeakPolarHBondContact CB-OE1 3.44Å; T259-E997 WeakPolarHBondContact CG2-OE1 3.44Å; T259-E997 PolarHBondContact OG1-OE1 3.2Å; T259-T999 HydrophobicContact CG2-CG2 4.16Å |
| 260 | L | 87.6 | Confident | 89.4 | Confident | 76 Ų | 76 | 31.5 Ų | 31.5 | 40% | 0.398 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 177.5 | -69.1 | 175.7 | 0 | 0 | 0 | 111.7 | N256 A257 Q258 K263 N264 T999 | N256-L260 WeakPolarHBondContact O-CG 3.48Å; N256-L260 PolarHBondContact O-N 3.09Å; A257-L260 PolarHBondContact O-N 3.12Å; Q258-L260 VanDerWaalsContact C-N 3.34Å; Q258-L260 PolarHBondContact O-N 3.47Å; L260-K263 WeakPolarHBondContact O-CB 3.4Å; L260-K263 PolarHBondContact O-N 3.09Å; L260-N264 PolarHBondContact O-N 3.46Å; L260-N264 VanDerWaalsContact O-N 3.15Å; L260-T999 HydrophobicContact CD2-CG2 4.43Å |
| 261 | I | 88.4 | Confident | 88.8 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 178.5 | -69.7 | -67.4 | 0 | 0 | 0 | 111.7 | A257 Q258 K263 N264 I265 L349 Y352 L353 | A257-I261 WeakPolarHBondContact O-CG1 3.43Å; A257-I261 PolarHBondContact O-N 2.92Å; Q258-I261 PolarHBondContact O-N 3Å; I261-K263 VanDerWaalsContact C-N 3.31Å; I261-K263 PolarHBondContact O-N 2.99Å; I261-N264 PolarHBondContact O-N 3.11Å; I261-N264 VanDerWaalsContact O-N 3.11Å; I261-I265 HydrophobicContact CG2-CD1 3.91Å; I261-I265 HydrophobicContact CG2-CG1 4.44Å; I261-I265 WeakPolarHBondContact O-CG1 3.3Å; I261-I265 PolarHBondContact O-N 3.18Å; I261-L349 HydrophobicContact CD1-CD2 3.85Å; I261-L349 HydrophobicContact CG2-CB 4.06Å; I261-Y352 HydrophobicContact CD1-CD1 3.76Å; I261-Y352 HydrophobicContact CD1-CE1 4.22Å; I261-L353 HydrophobicContact CB-CD2 4.31Å; I261-L353 HydrophobicContact CG1-CB 4.19Å; I261-L353 HydrophobicContact CG1-CD1 4.28Å; I261-L353 HydrophobicContact CG2-CB 4.24Å; I261-L353 HydrophobicContact CG2-CD2 4.08Å |
| 262 | E | 88.8 | Confident | 88.5 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 176.5 | -73.8 | 160.8 | -171 | 0 | 0 | 112.5 | Q258 N264 I265 F266 Y907 N929 R952 N953 N975 | Q258-E262 WeakPolarHBondContact O-CB 3.45Å; Q258-E262 WeakPolarHBondContact O-CG 3.21Å; Q258-E262 PolarHBondContact O-N 2.92Å; E262-N264 VanDerWaalsContact C-N 3.35Å; E262-I265 PolarHBondContact O-N 2.77Å; E262-F266 VanDerWaalsContact O-CB 3.32Å; E262-F266 WeakPolarHBondContact O-CB 3.5Å; E262-F266 PolarHBondContact O-N 3.09Å; E262-Y907 PolarHBondContact OE1-OH 3.28Å; E262-N929 PolarHBondContact OE1-ND2 2.99Å; E262-N929 PolarHBondContact OE1-OD1 3.32Å; E262-R952 IonicContact OE1-CZ 3.47Å; E262-R952 IonicContact OE1-NH1 2.73Å; E262-R952 PolarHBondContact OE1-NH1 3.06Å; E262-R952 IonicContact OE1-NH2 3.84Å; E262-R952 PolarHBondContact OE1-NH2 3.09Å; E262-R952 IonicContact OE2-CZ 2.64Å; E262-R952 IonicContact OE2-NH1 3.49Å; E262-R952 PolarHBondContact OE2-NH1 3.07Å; E262-N953 VanDerWaalsContact OE2-CB 3.24Å; E262-N953 WeakPolarHBondContact OE2-CB 3.12Å; E262-N975 PolarHBondContact OE2-ND2 3.08Å |
| 263 | K | 86.7 | Confident | 88.1 | Confident | 67 Ų | 67 | 31.7 Ų | 31.7 | 29% | 0.291 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 172.3 | -177.3 | -152.8 | -178.4 | -175.5 | 0 | 110.3 | T259 L260 I261 F266 L267 N1000 | T259-K263 PolarHBondContact O-N 3.3Å; T259-K263 VanDerWaalsContact O-N 3.09Å; L260-K263 WeakPolarHBondContact O-CB 3.4Å; L260-K263 PolarHBondContact O-N 3.09Å; I261-K263 VanDerWaalsContact C-N 3.31Å; I261-K263 PolarHBondContact O-N 2.99Å; K263-F266 WeakPolarHBondContact O-CB 3.42Å; K263-F266 PolarHBondContact O-N 3.27Å; K263-L267 HydrophobicContact CG-CD1 4.43Å; K263-L267 WeakPolarHBondContact O-CG 3.07Å; K263-L267 PolarHBondContact O-N 2.89Å; K263-N1000 WeakPolarHBondContact CB-ND2 3.39Å; K263-N1000 WeakPolarHBondContact CD-ND2 2.89Å |
| 264 | N | 85.8 | Confident | 87.7 | Confident | 30 Ų | 30 | 33.2 Ų | 33.2 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.9 | -44.8 | 179.6 | -70.1 | -3.6 | 0 | 0 | 0 | 111.5 | L260 I261 E262 F266 L267 L268 L349 I593 | L260-N264 PolarHBondContact O-N 3.46Å; L260-N264 VanDerWaalsContact O-N 3.15Å; I261-N264 PolarHBondContact O-N 3.11Å; I261-N264 VanDerWaalsContact O-N 3.11Å; E262-N264 VanDerWaalsContact C-N 3.35Å; N264-F266 VanDerWaalsContact C-N 3.3Å; N264-F266 PolarHBondContact O-N 3.02Å; N264-L267 PolarHBondContact O-N 3.41Å; N264-L268 WeakPolarHBondContact O-CG 3.41Å; N264-L268 PolarHBondContact O-N 3.41Å; N264-L349 HydrophobicContact CB-CD1 4.02Å; N264-I593 HydrophobicContact CB-CD1 4.12Å |
| 265 | I | 87.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 10% | 0.097 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -41.9 | 173.8 | -68.1 | 172.1 | 0 | 0 | 0 | 111 | I261 E262 L268 K269 L349 E350 C1468 | I261-I265 HydrophobicContact CG2-CD1 3.91Å; I261-I265 HydrophobicContact CG2-CG1 4.44Å; I261-I265 WeakPolarHBondContact O-CG1 3.3Å; I261-I265 PolarHBondContact O-N 3.18Å; E262-I265 PolarHBondContact O-N 2.77Å; I265-L268 PolarHBondContact O-N 3.24Å; I265-K269 WeakPolarHBondContact O-CB 3.29Å; I265-K269 PolarHBondContact O-N 2.95Å; I265-L349 HydrophobicContact CD1-CB 4.34Å; I265-L349 HydrophobicContact CG1-CB 4.17Å; I265-L349 HydrophobicContact CG1-CD1 3.69Å; I265-E350 HydrophobicContact CD1-CG 3.99Å; I265-C1468 WeakPolarHBondContact CG2-SG 3.29Å |
| 266 | F | 86.9 | Confident | 86.8 | Confident | 119 Ų | 119 | 34.2 Ų | 34.2 | 52% | 0.522 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 176.7 | 175.2 | -101.7 | 0 | 0 | 0 | 112.4 | E262 K263 N264 K269 L270 | E262-F266 VanDerWaalsContact O-CB 3.32Å; E262-F266 WeakPolarHBondContact O-CB 3.5Å; E262-F266 PolarHBondContact O-N 3.09Å; K263-F266 WeakPolarHBondContact O-CB 3.42Å; K263-F266 PolarHBondContact O-N 3.27Å; N264-F266 VanDerWaalsContact C-N 3.3Å; N264-F266 PolarHBondContact O-N 3.02Å; F266-K269 WeakPolarHBondContact O-CB 3.37Å; F266-K269 PolarHBondContact O-N 3.48Å; F266-L270 HydrophobicContact CD1-CD1 3.98Å; F266-L270 HydrophobicContact CD1-CG 4.48Å; F266-L270 HydrophobicContact CE1-CD1 3.37Å; F266-L270 HydrophobicContact CE1-CG 4.03Å; F266-L270 HydrophobicContact CE2-CG 4.36Å; F266-L270 HydrophobicContact CZ-CD1 3.68Å; F266-L270 HydrophobicContact CZ-CD2 4.18Å; F266-L270 HydrophobicContact CZ-CG 3.96Å; F266-L270 WeakPolarHBondContact O-CG 3.38Å; F266-L270 PolarHBondContact O-N 2.78Å |
| 267 | L | 84.7 | Confident | 86.6 | Confident | 33 Ų | 33 | 36.7 Ų | 36.7 | 17% | 0.173 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 176.1 | -67.1 | 173.9 | 0 | 0 | 0 | 111.8 | K263 N264 K269 L270 L271 I593 T595 | K263-L267 HydrophobicContact CG-CD1 4.43Å; K263-L267 WeakPolarHBondContact O-CG 3.07Å; K263-L267 PolarHBondContact O-N 2.89Å; N264-L267 PolarHBondContact O-N 3.41Å; L267-K269 VanDerWaalsContact C-N 3.28Å; L267-K269 PolarHBondContact O-N 3.07Å; L267-L270 HydrophobicContact CD2-CD1 4.5Å; L267-L270 PolarHBondContact O-N 3.02Å; L267-L271 PolarHBondContact O-N 2.93Å; L267-I593 HydrophobicContact CB-CB 4.16Å; L267-I593 HydrophobicContact CB-CD1 4.19Å; L267-I593 HydrophobicContact CB-CG2 3.94Å; L267-I593 HydrophobicContact CD1-CB 4.19Å; L267-T595 HydrophobicContact CD2-CG2 3.98Å |
| 268 | L | 83.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 172.3 | -72.8 | 177.3 | 0 | 0 | 0 | 111.4 | N264 I265 L271 F272 F342 L345 L349 F587 I593 | N264-L268 WeakPolarHBondContact O-CG 3.41Å; N264-L268 PolarHBondContact O-N 3.41Å; I265-L268 PolarHBondContact O-N 3.24Å; L268-L271 PolarHBondContact O-N 2.88Å; L268-F272 WeakPolarHBondContact O-CB 3.25Å; L268-F272 PolarHBondContact O-N 3.38Å; L268-F342 HydrophobicContact CB-CD2 4.26Å; L268-F342 HydrophobicContact CB-CE2 4.04Å; L268-L345 HydrophobicContact CD1-CB 3.94Å; L268-L345 HydrophobicContact CD2-CD1 4.32Å; L268-L349 HydrophobicContact CD1-CD1 3.63Å; L268-F587 HydrophobicContact CD2-CD1 4.34Å; L268-F587 HydrophobicContact CD2-CD2 4.28Å; L268-F587 HydrophobicContact CD2-CG 4.1Å; L268-I593 HydrophobicContact CD2-CD1 3.9Å; L268-I593 HydrophobicContact CG-CD1 3.77Å |
| 269 | K | 86 | Confident | 86.2 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.6 | -173.9 | 169.7 | -174.4 | 160.1 | 0 | 112 | I265 F266 L267 L271 F272 E273 F342 Q1467 | I265-K269 WeakPolarHBondContact O-CB 3.29Å; I265-K269 PolarHBondContact O-N 2.95Å; F266-K269 WeakPolarHBondContact O-CB 3.37Å; F266-K269 PolarHBondContact O-N 3.48Å; L267-K269 VanDerWaalsContact C-N 3.28Å; L267-K269 PolarHBondContact O-N 3.07Å; K269-L271 VanDerWaalsContact C-N 3.3Å; K269-L271 PolarHBondContact O-N 2.94Å; K269-F272 PolarHBondContact O-N 2.97Å; K269-E273 WeakPolarHBondContact O-CB 3.32Å; K269-E273 VanDerWaalsContact O-CG 3.26Å; K269-E273 WeakPolarHBondContact O-CG 3.47Å; K269-E273 PolarHBondContact O-N 3.32Å; K269-F342 HydrophobicContact CB-CE2 4.11Å; K269-F342 HydrophobicContact CB-CZ 4.14Å; K269-F342 HydrophobicContact CG-CZ 4.35Å; K269-Q1467 PolarHBondContact NZ-O 2.82Å; K269-Q1467 VanDerWaalsContact NZ-O 3.13Å |
| 270 | L | 84.8 | Confident | 86 | Confident | 73 Ų | 73 | 38.7 Ų | 38.7 | 38% | 0.382 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60 | -41.7 | 174.8 | -77 | 175.9 | 0 | 0 | 0 | 111.8 | F266 L267 E273 K274 | F266-L270 HydrophobicContact CD1-CD1 3.98Å; F266-L270 HydrophobicContact CD1-CG 4.48Å; F266-L270 HydrophobicContact CE1-CD1 3.37Å; F266-L270 HydrophobicContact CE1-CG 4.03Å; F266-L270 HydrophobicContact CE2-CG 4.36Å; F266-L270 HydrophobicContact CZ-CD1 3.68Å; F266-L270 HydrophobicContact CZ-CD2 4.18Å; F266-L270 HydrophobicContact CZ-CG 3.96Å; F266-L270 WeakPolarHBondContact O-CG 3.38Å; F266-L270 PolarHBondContact O-N 2.78Å; L267-L270 HydrophobicContact CD2-CD1 4.5Å; L267-L270 PolarHBondContact O-N 3.02Å; L270-E273 PolarHBondContact O-N 3.49Å; L270-K274 WeakPolarHBondContact O-CG 3.35Å; L270-K274 PolarHBondContact O-N 3.44Å; L270-K274 VanDerWaalsContact O-N 3.14Å |
| 271 | L | 81.4 | Confident | 86 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | 178.1 | -171.7 | 125.6 | 0 | 0 | 0 | 112.1 | L267 L268 K269 E273 K274 L275 F584 F587 | L267-L271 PolarHBondContact O-N 2.93Å; L268-L271 PolarHBondContact O-N 2.88Å; K269-L271 VanDerWaalsContact C-N 3.3Å; K269-L271 PolarHBondContact O-N 2.94Å; L271-E273 VanDerWaalsContact C-N 3.29Å; L271-E273 PolarHBondContact O-N 3.28Å; L271-K274 WeakPolarHBondContact O-CB 3.26Å; L271-K274 PolarHBondContact O-N 2.83Å; L271-K274 VanDerWaalsContact O-N 3.16Å; L271-L275 HydrophobicContact CD2-CD1 3.98Å; L271-L275 PolarHBondContact O-N 3.43Å; L271-L275 VanDerWaalsContact O-N 3.09Å; L271-F584 HydrophobicContact CD2-CE1 4Å; L271-F584 HydrophobicContact CD2-CZ 4.32Å; L271-F587 HydrophobicContact CD1-CE1 4.28Å; L271-F587 HydrophobicContact CD1-CE2 4.14Å; L271-F587 HydrophobicContact CD1-CZ 3.42Å; L271-F587 VanDerWaalsContact CD1-CZ 3.42Å; L271-F587 HydrophobicContact CD2-CE2 3.62Å; L271-F587 HydrophobicContact CD2-CZ 3.8Å; L271-F587 HydrophobicContact CG-CE2 4.49Å; L271-F587 HydrophobicContact CG-CZ 4.18Å |
| 272 | F | 85.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.1 | -39.8 | 175.5 | 177.9 | -108 | 0 | 0 | 0 | 111.9 | L268 K269 K274 L275 K276 Y335 K339 F342 | L268-F272 WeakPolarHBondContact O-CB 3.25Å; L268-F272 PolarHBondContact O-N 3.38Å; K269-F272 PolarHBondContact O-N 2.97Å; F272-K274 PolarHBondContact O-N 3.47Å; F272-L275 PolarHBondContact O-N 3.12Å; F272-K276 HydrophobicContact CE1-CD 4.48Å; F272-K276 VanDerWaalsContact O-CB 3.31Å; F272-K276 WeakPolarHBondContact O-CB 3.23Å; F272-K276 PolarHBondContact O-N 2.98Å; F272-Y335 HydrophobicContact CE2-CE2 4.41Å; F272-Y335 HydrophobicContact CZ-CD2 4.48Å; F272-Y335 AromaticContact CZ-CE2 3.78Å; F272-Y335 HydrophobicContact CZ-CE2 3.78Å; F272-K339 HydrophobicContact CE1-CG 4.49Å; F272-K339 VanDerWaalsContact CE2-CA 3.49Å; F272-K339 HydrophobicContact CE2-CB 3.96Å; F272-K339 HydrophobicContact CE2-CG 4.47Å; F272-K339 HydrophobicContact CZ-CB 3.7Å; F272-K339 HydrophobicContact CZ-CG 3.81Å; F272-F342 HydrophobicContact CB-CB 4.35Å; F272-F342 HydrophobicContact CB-CD2 3.7Å; F272-F342 HydrophobicContact CB-CE2 4.17Å; F272-F342 HydrophobicContact CB-CG 3.93Å; F272-F342 HydrophobicContact CD1-CD1 4.01Å; F272-F342 HydrophobicContact CD1-CE1 4.3Å; F272-F342 HydrophobicContact CD1-CG 4.15Å; F272-F342 HydrophobicContact CD2-CB 3.77Å; F272-F342 HydrophobicContact CD2-CG 4.05Å; F272-F342 HydrophobicContact CE1-CD1 4.35Å; F272-F342 HydrophobicContact CE2-CB 4.29Å; F272-F342 HydrophobicContact CG-CB 4.02Å; F272-F342 HydrophobicContact CG-CD1 4.09Å; F272-F342 HydrophobicContact CG-CD2 4.07Å; F272-F342 AromaticContact CG-CG 3.76Å; F272-F342 HydrophobicContact CG-CG 3.76Å |
| 273 | E | 86.6 | Confident | 86.2 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.4 | -75.6 | -73.1 | 171.2 | 0 | 0 | 112.7 | K269 L270 L271 N277 R1465 | K269-E273 WeakPolarHBondContact O-CB 3.32Å; K269-E273 VanDerWaalsContact O-CG 3.26Å; K269-E273 WeakPolarHBondContact O-CG 3.47Å; K269-E273 PolarHBondContact O-N 3.32Å; L270-E273 PolarHBondContact O-N 3.49Å; L271-E273 VanDerWaalsContact C-N 3.29Å; L271-E273 PolarHBondContact O-N 3.28Å; E273-N277 WeakPolarHBondContact O-CB 3.31Å; E273-N277 PolarHBondContact O-N 3.08Å; E273-N277 VanDerWaalsContact O-N 3.07Å; E273-N277 PolarHBondContact O-ND2 3.44Å; E273-N277 VanDerWaalsContact O-ND2 3.11Å; E273-R1465 IonicContact OE1-NH1 3.29Å; E273-R1465 IonicContact OE2-CZ 3.68Å; E273-R1465 IonicContact OE2-NH1 3.94Å; E273-R1465 PolarHBondContact OE2-NH1 3.11Å; E273-R1465 IonicContact OE2-NH2 2.88Å |
| 274 | K | 84.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 39.6 Ų | 39.6 | 40% | 0.4 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 172.5 | -70.9 | 179.2 | -174.2 | 179.7 | 0 | 111.3 | L270 L271 F272 K278 T595 L599 | L270-K274 WeakPolarHBondContact O-CG 3.35Å; L270-K274 PolarHBondContact O-N 3.44Å; L270-K274 VanDerWaalsContact O-N 3.14Å; L271-K274 WeakPolarHBondContact O-CB 3.26Å; L271-K274 PolarHBondContact O-N 2.83Å; L271-K274 VanDerWaalsContact O-N 3.16Å; F272-K274 PolarHBondContact O-N 3.47Å; K274-K278 PolarHBondContact O-N 3.11Å; K274-T595 PolarHBondContact NZ-O 2.88Å; K274-T595 VanDerWaalsContact NZ-O 3.09Å; K274-L599 HydrophobicContact CB-CD1 4.43Å; K274-L599 HydrophobicContact CD-CD1 4.48Å |
| 275 | L | 83.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 177.7 | -77.2 | 169.9 | 0 | 0 | 0 | 112.1 | L271 F272 N277 K278 F279 F584 L599 F602 | L271-L275 HydrophobicContact CD2-CD1 3.98Å; L271-L275 PolarHBondContact O-N 3.43Å; L271-L275 VanDerWaalsContact O-N 3.09Å; F272-L275 PolarHBondContact O-N 3.12Å; L275-N277 VanDerWaalsContact C-N 3.31Å; L275-N277 PolarHBondContact O-N 2.89Å; L275-K278 WeakPolarHBondContact O-CB 3.5Å; L275-K278 PolarHBondContact O-N 3.43Å; L275-K278 VanDerWaalsContact O-N 3.07Å; L275-F279 HydrophobicContact CB-CE2 4.04Å; L275-F279 HydrophobicContact CB-CZ 4.29Å; L275-F279 HydrophobicContact CD2-CZ 3.97Å; L275-F279 WeakPolarHBondContact O-CD2 3.42Å; L275-F279 WeakPolarHBondContact O-CG 3.35Å; L275-F279 PolarHBondContact O-N 2.82Å; L275-F584 HydrophobicContact CD1-CE2 3.97Å; L275-F584 HydrophobicContact CD1-CZ 3.81Å; L275-L599 HydrophobicContact CD2-CD2 3.45Å; L275-L599 VanDerWaalsContact CD2-CD2 3.45Å; L275-L599 HydrophobicContact CG-CD2 3.83Å; L275-F602 HydrophobicContact CD2-CD2 3.87Å; L275-F602 HydrophobicContact CD2-CE2 3.68Å |
| 276 | K | 86.4 | Confident | 86.5 | Confident | 35 Ų | 35 | 40.9 Ų | 40.9 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53 | -48.5 | 176.6 | 175.1 | 179.6 | 177.6 | -178 | 0 | 111.7 | F272 K278 F279 F280 Y335 | F272-K276 HydrophobicContact CE1-CD 4.48Å; F272-K276 VanDerWaalsContact O-CB 3.31Å; F272-K276 WeakPolarHBondContact O-CB 3.23Å; F272-K276 PolarHBondContact O-N 2.98Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 3.23Å; K276-F279 PolarHBondContact O-N 3.04Å; K276-F280 HydrophobicContact CD-CE2 4.48Å; K276-F280 VanDerWaalsContact CE-CE2 3.45Å; K276-F280 HydrophobicContact CG-CD1 4.42Å; K276-F280 HydrophobicContact CG-CD2 4.32Å; K276-F280 HydrophobicContact CG-CE1 4.28Å; K276-F280 HydrophobicContact CG-CE2 4.19Å; K276-F280 HydrophobicContact CG-CG 4.45Å; K276-F280 HydrophobicContact CG-CZ 4.17Å; K276-F280 WeakPolarHBondContact O-CB 3.45Å; K276-F280 WeakPolarHBondContact O-CG 3.48Å; K276-F280 PolarHBondContact O-N 3.28Å; K276-Y335 HydrophobicContact CB-CE2 4.14Å; K276-Y335 HydrophobicContact CD-CE2 4.1Å; K276-Y335 HydrophobicContact CG-CD2 4.42Å; K276-Y335 HydrophobicContact CG-CE2 3.74Å |
| 277 | N | 86.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 35.5 Ų | 35.5 | 43% | 0.428 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 178.8 | -71.2 | -27.6 | 0 | 0 | 0 | 112 | E273 L275 L281 | E273-N277 WeakPolarHBondContact O-CB 3.31Å; E273-N277 PolarHBondContact O-N 3.08Å; E273-N277 VanDerWaalsContact O-N 3.07Å; E273-N277 PolarHBondContact O-ND2 3.44Å; E273-N277 VanDerWaalsContact O-ND2 3.11Å; L275-N277 VanDerWaalsContact C-N 3.31Å; L275-N277 PolarHBondContact O-N 2.89Å; N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 VanDerWaalsContact O-CG 3.28Å; N277-L281 WeakPolarHBondContact O-CG 3.49Å; N277-L281 PolarHBondContact O-N 2.73Å |
| 278 | K | 86.3 | Confident | 86.6 | Confident | 42 Ų | 42 | 36.9 Ų | 36.9 | 18% | 0.183 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 177.1 | -169.8 | 173.1 | -178.3 | 169.2 | 0 | 111.6 | K274 L275 K276 H282 L599 D603 I606 | K274-K278 PolarHBondContact O-N 3.11Å; L275-K278 WeakPolarHBondContact O-CB 3.5Å; L275-K278 PolarHBondContact O-N 3.43Å; L275-K278 VanDerWaalsContact O-N 3.07Å; K276-K278 VanDerWaalsContact C-N 3.32Å; K276-K278 PolarHBondContact O-N 3.23Å; K278-H282 PolarHBondContact O-N 3.14Å; K278-L599 PolarHBondContact NZ-O 3.09Å; K278-D603 WeakPolarHBondContact CE-OD1 3.47Å; K278-D603 IonicContact NZ-OD1 2.75Å; K278-D603 PolarHBondContact NZ-OD1 3.4Å; K278-D603 IonicContact NZ-OD2 3.27Å; K278-D603 PolarHBondContact NZ-OD2 3.44Å; K278-I606 HydrophobicContact CD-CD1 4.37Å; K278-I606 HydrophobicContact CG-CD1 4Å |
| 279 | F | 88.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.9 | -44.9 | 177.7 | -55.9 | -32.1 | 0 | 0 | 0 | 112.2 | L275 K276 L281 H282 I283 W331 I334 Y335 F602 | L275-F279 HydrophobicContact CB-CE2 4.04Å; L275-F279 HydrophobicContact CB-CZ 4.29Å; L275-F279 HydrophobicContact CD2-CZ 3.97Å; L275-F279 WeakPolarHBondContact O-CD2 3.42Å; L275-F279 WeakPolarHBondContact O-CG 3.35Å; L275-F279 PolarHBondContact O-N 2.82Å; K276-F279 PolarHBondContact O-N 3.04Å; F279-L281 VanDerWaalsContact C-N 3.35Å; F279-L281 PolarHBondContact O-N 2.89Å; F279-H282 PolarHBondContact O-N 2.88Å; F279-I283 WeakPolarHBondContact O-CG1 3.41Å; F279-I283 PolarHBondContact O-N 3.21Å; F279-W331 AromaticContact CD1-CE3 3.96Å; F279-W331 HydrophobicContact CD1-CE3 3.96Å; F279-W331 AromaticContact CD1-CZ3 3.92Å; F279-W331 HydrophobicContact CD1-CZ3 3.92Å; F279-W331 HydrophobicContact CE1-CE3 4.4Å; F279-W331 HydrophobicContact CE1-CZ3 4.02Å; F279-I334 HydrophobicContact CE1-CG2 4.17Å; F279-I334 HydrophobicContact CE2-CG2 4.2Å; F279-I334 HydrophobicContact CZ-CG2 3.87Å; F279-Y335 HydrophobicContact CD2-CD2 4.28Å; F279-F602 HydrophobicContact CE1-CB 4.27Å; F279-F602 HydrophobicContact CE1-CD1 4.03Å; F279-F602 AromaticContact CE1-CD2 3.78Å; F279-F602 HydrophobicContact CE1-CD2 3.78Å; F279-F602 HydrophobicContact CE1-CE1 4.3Å; F279-F602 HydrophobicContact CE1-CE2 4.04Å; F279-F602 AromaticContact CE1-CG 3.76Å; F279-F602 HydrophobicContact CE1-CG 3.76Å; F279-F602 HydrophobicContact CE1-CZ 4.3Å; F279-F602 HydrophobicContact CZ-CD1 4.38Å; F279-F602 AromaticContact CZ-CD2 3.91Å; F279-F602 HydrophobicContact CZ-CD2 3.91Å; F279-F602 HydrophobicContact CZ-CE1 4.2Å; F279-F602 AromaticContact CZ-CE2 3.69Å; F279-F602 HydrophobicContact CZ-CE2 3.69Å; F279-F602 HydrophobicContact CZ-CG 4.25Å; F279-F602 AromaticContact CZ-CZ 3.85Å; F279-F602 HydrophobicContact CZ-CZ 3.85Å |
| 280 | F | 87.6 | Confident | 86.9 | Confident | 32 Ų | 32 | 35.2 Ų | 35.2 | 14% | 0.14 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | -178.7 | -80 | 16 | 0 | 0 | 0 | 112.3 | K276 H282 I283 Q284 Y335 Y724 N751 | K276-F280 HydrophobicContact CD-CE2 4.48Å; K276-F280 VanDerWaalsContact CE-CE2 3.45Å; K276-F280 HydrophobicContact CG-CD1 4.42Å; K276-F280 HydrophobicContact CG-CD2 4.32Å; K276-F280 HydrophobicContact CG-CE1 4.28Å; K276-F280 HydrophobicContact CG-CE2 4.19Å; K276-F280 HydrophobicContact CG-CG 4.45Å; K276-F280 HydrophobicContact CG-CZ 4.17Å; K276-F280 WeakPolarHBondContact O-CB 3.45Å; K276-F280 WeakPolarHBondContact O-CG 3.48Å; K276-F280 PolarHBondContact O-N 3.28Å; F280-H282 VanDerWaalsContact C-N 3.34Å; F280-I283 HydrophobicContact CD1-CD1 4.49Å; F280-Q284 VanDerWaalsContact O-CB 3.24Å; F280-Q284 WeakPolarHBondContact O-CB 3.42Å; F280-Q284 PolarHBondContact O-N 2.95Å; F280-Y335 HydrophobicContact CE1-CD1 4.11Å; F280-Y335 HydrophobicContact CE1-CD2 4.05Å; F280-Y335 HydrophobicContact CE1-CE1 4.01Å; F280-Y335 AromaticContact CE1-CE2 3.96Å; F280-Y335 HydrophobicContact CE1-CE2 3.96Å; F280-Y335 HydrophobicContact CE1-CG 4.11Å; F280-Y335 AromaticContact CE1-CZ 3.92Å; F280-Y335 HydrophobicContact CZ-CE1 4.16Å; F280-Y335 HydrophobicContact CZ-CE2 4.23Å; F280-Y335 AromaticContact CZ-CZ 3.89Å; F280-Y724 HydrophobicContact CD1-CE1 4.14Å; F280-Y724 HydrophobicContact CD2-CD1 4.31Å; F280-Y724 HydrophobicContact CD2-CE1 4.46Å; F280-Y724 HydrophobicContact CE1-CE1 4.12Å; F280-Y724 HydrophobicContact CE2-CD1 4.38Å; F280-Y724 HydrophobicContact CE2-CE1 4.43Å; F280-Y724 HydrophobicContact CG-CD1 4.48Å; F280-Y724 HydrophobicContact CG-CE1 4.31Å; F280-Y724 HydrophobicContact CZ-CE1 4.27Å; F280-N751 HydrophobicContact CE2-CB 3.93Å; F280-N751 HydrophobicContact CZ-CB 3.76Å |
| 281 | L | 86.9 | Confident | 86.8 | Confident | 115 Ų | 115 | 34.6 Ų | 34.6 | 60% | 0.602 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -63.3 | -39.6 | 174.6 | -75.6 | 170.3 | 0 | 0 | 0 | 112.2 | N277 F279 Y285 | N277-L281 WeakPolarHBondContact O-CB 3.29Å; N277-L281 VanDerWaalsContact O-CG 3.28Å; N277-L281 WeakPolarHBondContact O-CG 3.49Å; N277-L281 PolarHBondContact O-N 2.73Å; F279-L281 VanDerWaalsContact C-N 3.35Å; F279-L281 PolarHBondContact O-N 2.89Å; L281-Y285 PolarHBondContact O-N 3.06Å |
| 282 | H | 91.5 | Very high | 86.7 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73 | -41.7 | 178.2 | -169.9 | 62.1 | 0 | 0 | 0 | 112.5 | K278 F279 F280 Q284 Y285 I286 W331 I606 D609 | K278-H282 PolarHBondContact O-N 3.14Å; F279-H282 PolarHBondContact O-N 2.88Å; F280-H282 VanDerWaalsContact C-N 3.34Å; H282-Q284 VanDerWaalsContact C-N 3.3Å; H282-Q284 PolarHBondContact O-N 3.27Å; H282-Y285 WeakPolarHBondContact O-CB 3.49Å; H282-Y285 PolarHBondContact O-N 2.82Å; H282-Y285 VanDerWaalsContact O-N 3.13Å; H282-I286 WeakPolarHBondContact NE2-CD1 3.42Å; H282-I286 WeakPolarHBondContact O-CG1 3.35Å; H282-I286 PolarHBondContact O-N 2.64Å; H282-W331 AromaticContact CD2-CD1 3.59Å; H282-W331 AromaticContact CD2-CD2 3.82Å; H282-W331 AromaticContact CD2-CE2 3.29Å; H282-W331 AromaticContact CD2-CG 4Å; H282-W331 AromaticContact CD2-CZ2 3.72Å; H282-W331 AromaticContact CD2-NE1 3.17Å; H282-W331 PolarHBondContact CD2-NE1 3.33Å; H282-W331 AromaticContact NE2-CD1 3.97Å; H282-W331 AromaticContact NE2-CE2 3.58Å; H282-W331 AromaticContact NE2-CZ2 3.81Å; H282-W331 AromaticContact NE2-NE1 3.23Å; H282-W331 PolarHBondContact NE2-NE1 3.29Å; H282-I606 HydrophobicContact CB-CG1 4.35Å; H282-D609 IonicContact CE1-OD2 3.22Å; H282-D609 IonicContact NE2-OD2 3.32Å; H282-D609 PolarHBondContact NE2-OD2 2.87Å |
| 283 | I | 90.3 | Very high | 86.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 171.7 | -70.1 | 165.2 | 0 | 0 | 0 | 110.2 | F279 F280 Y285 I286 D287 I328 W331 E332 Y724 | F279-I283 WeakPolarHBondContact O-CG1 3.41Å; F279-I283 PolarHBondContact O-N 3.21Å; F280-I283 HydrophobicContact CD1-CD1 4.49Å; I283-Y285 VanDerWaalsContact C-N 3.29Å; I283-Y285 PolarHBondContact O-N 3.05Å; I283-I286 PolarHBondContact O-N 3.23Å; I283-D287 WeakPolarHBondContact O-CB 3.4Å; I283-D287 PolarHBondContact O-N 3.33Å; I283-I328 HydrophobicContact CG2-CG2 4.16Å; I283-W331 HydrophobicContact CD1-CB 4Å; I283-W331 HydrophobicContact CG1-CB 3.66Å; I283-E332 HydrophobicContact CD1-CG 3.91Å; I283-Y724 HydrophobicContact CG2-CE1 4.33Å |
| 284 | Q | 87.2 | Confident | 86.3 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 29% | 0.285 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 176.6 | -173.1 | -177.6 | 9.1 | 0 | 0 | 111.7 | F280 H282 K288 H681 H702 | F280-Q284 VanDerWaalsContact O-CB 3.24Å; F280-Q284 WeakPolarHBondContact O-CB 3.42Å; F280-Q284 PolarHBondContact O-N 2.95Å; H282-Q284 VanDerWaalsContact C-N 3.3Å; H282-Q284 PolarHBondContact O-N 3.27Å; Q284-K288 VanDerWaalsContact O-CB 3.24Å; Q284-K288 WeakPolarHBondContact O-CB 3.39Å; Q284-K288 PolarHBondContact O-N 3.29Å; Q284-H681 WeakPolarHBondContact CG-ND1 3.09Å; Q284-H681 PolarHBondContact O-CE1 3.32Å; Q284-H681 VanDerWaalsContact O-CE1 3.27Å; Q284-H702 HydrophobicContact CG-CB 4.48Å |
| 285 | Y | 88.5 | Confident | 85.8 | Confident | 76 Ų | 76 | 32 Ų | 32 | 30% | 0.298 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.2 | 172.1 | -108 | 0 | 0 | 0 | 112.2 | L281 H282 I283 I289 Q610 I613 | L281-Y285 PolarHBondContact O-N 3.06Å; H282-Y285 WeakPolarHBondContact O-CB 3.49Å; H282-Y285 PolarHBondContact O-N 2.82Å; H282-Y285 VanDerWaalsContact O-N 3.13Å; I283-Y285 VanDerWaalsContact C-N 3.29Å; I283-Y285 PolarHBondContact O-N 3.05Å; Y285-I289 WeakPolarHBondContact O-CG1 3.34Å; Y285-I289 PolarHBondContact O-N 3.47Å; Y285-Q610 HydrophobicContact CD1-CG 4.34Å; Y285-Q610 HydrophobicContact CE1-CG 3.77Å; Y285-I613 HydrophobicContact CD1-CD1 4.12Å; Y285-I613 HydrophobicContact CE1-CD1 3.57Å; Y285-I613 HydrophobicContact CE1-CG2 4.34Å; Y285-I613 WeakPolarHBondContact OH-CG2 3.32Å |
| 286 | I | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 179.2 | -57.7 | 168.8 | 0 | 0 | 0 | 111 | H282 I283 K288 I289 L290 L324 K327 I328 I613 | H282-I286 WeakPolarHBondContact NE2-CD1 3.42Å; H282-I286 WeakPolarHBondContact O-CG1 3.35Å; H282-I286 PolarHBondContact O-N 2.64Å; I283-I286 PolarHBondContact O-N 3.23Å; I286-K288 VanDerWaalsContact C-N 3.3Å; I286-K288 PolarHBondContact O-N 2.92Å; I286-I289 WeakPolarHBondContact O-CB 3.4Å; I286-I289 PolarHBondContact O-N 3.05Å; I286-I289 VanDerWaalsContact O-N 3.11Å; I286-L290 PolarHBondContact O-N 2.92Å; I286-L324 HydrophobicContact CG2-CB 4.18Å; I286-L324 HydrophobicContact CG2-CD2 3.99Å; I286-K327 HydrophobicContact CD1-CB 4.23Å; I286-I328 HydrophobicContact CB-CD1 4.4Å; I286-I328 HydrophobicContact CB-CG1 3.9Å; I286-I328 HydrophobicContact CG2-CD1 3.97Å; I286-I328 HydrophobicContact CG2-CG1 3.56Å; I286-I613 HydrophobicContact CG1-CD1 3.99Å |
| 287 | D | 89.3 | Confident | 84.9 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.032 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 179.2 | -176 | 79.7 | 0 | 0 | 0 | 111 | I283 I289 L290 R291 I328 H681 H702 | I283-D287 WeakPolarHBondContact O-CB 3.4Å; I283-D287 PolarHBondContact O-N 3.33Å; D287-I289 VanDerWaalsContact C-N 3.3Å; D287-I289 PolarHBondContact O-N 3.06Å; D287-L290 WeakPolarHBondContact O-CB 3.41Å; D287-L290 PolarHBondContact O-N 3.19Å; D287-L290 VanDerWaalsContact O-N 3.14Å; D287-R291 WeakPolarHBondContact O-CG 3.49Å; D287-R291 PolarHBondContact O-N 3.4Å; D287-R291 IonicContact OD1-CZ 2.72Å; D287-R291 VanDerWaalsContact OD1-CZ 3.27Å; D287-R291 IonicContact OD1-NE 3.72Å; D287-R291 PolarHBondContact OD1-NE 3.4Å; D287-R291 VanDerWaalsContact OD1-NE 3.13Å; D287-R291 IonicContact OD1-NH2 2.92Å; D287-R291 PolarHBondContact OD1-NH2 2.79Å; D287-R291 IonicContact OD2-NE 2.75Å; D287-I328 HydrophobicContact CB-CD1 3.95Å; D287-H681 IonicContact OD2-CD2 2.93Å; D287-H681 IonicContact OD2-CE1 3.71Å; D287-H681 IonicContact OD2-NE2 3.86Å; D287-H681 PolarHBondContact OD2-NE2 3.06Å; D287-H702 IonicContact OD2-CD2 2.63Å; D287-H702 PolarHBondContact OD2-CD2 2.9Å; D287-H702 IonicContact OD2-NE2 2.65Å |
| 288 | K | 84.1 | Confident | 84.1 | Confident | 62 Ų | 62 | 32.1 Ų | 32.1 | 27% | 0.27 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -55.4 | -45.5 | 174.7 | 175.2 | 174.2 | 166.7 | 165.9 | 0 | 112 | Q284 I286 F292 N657 D658 H681 | Q284-K288 VanDerWaalsContact O-CB 3.24Å; Q284-K288 WeakPolarHBondContact O-CB 3.39Å; Q284-K288 PolarHBondContact O-N 3.29Å; I286-K288 VanDerWaalsContact C-N 3.3Å; I286-K288 PolarHBondContact O-N 2.92Å; K288-F292 HydrophobicContact CG-CD2 4.4Å; K288-F292 HydrophobicContact CG-CE2 4.37Å; K288-F292 VanDerWaalsContact O-CD2 3.28Å; K288-F292 WeakPolarHBondContact O-CD2 3.23Å; K288-F292 PolarHBondContact O-N 3.24Å; K288-N657 PolarHBondContact O-ND2 3.48Å; K288-D658 HydrophobicContact CD-CB 4.44Å; K288-D658 WeakPolarHBondContact CE-OD1 3.04Å; K288-D658 WeakPolarHBondContact CE-OD2 3.39Å; K288-D658 IonicContact NZ-OD1 2.94Å; K288-D658 PolarHBondContact NZ-OD1 3.03Å; K288-D658 IonicContact NZ-OD2 3.55Å; K288-D658 PolarHBondContact NZ-OD2 2.87Å; K288-H681 PolarHBondContact N-NE2 3.34Å |
| 289 | I | 86.8 | Confident | 83.2 | Confident | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.062 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 177 | -62.6 | -65.6 | 0 | 0 | 0 | 111 | Y285 I286 D287 R291 F292 L293 L324 I613 A617 L618 I621 | Y285-I289 WeakPolarHBondContact O-CG1 3.34Å; Y285-I289 PolarHBondContact O-N 3.47Å; I286-I289 WeakPolarHBondContact O-CB 3.4Å; I286-I289 PolarHBondContact O-N 3.05Å; I286-I289 VanDerWaalsContact O-N 3.11Å; D287-I289 VanDerWaalsContact C-N 3.3Å; D287-I289 PolarHBondContact O-N 3.06Å; I289-R291 PolarHBondContact O-N 3.13Å; I289-F292 WeakPolarHBondContact O-CB 3.41Å; I289-F292 PolarHBondContact O-N 2.96Å; I289-L293 HydrophobicContact CG2-CD1 4.21Å; I289-L293 WeakPolarHBondContact O-CG 3.48Å; I289-L293 PolarHBondContact O-N 3.38Å; I289-L293 VanDerWaalsContact O-N 3.13Å; I289-L324 HydrophobicContact CG2-CD1 3.93Å; I289-I613 HydrophobicContact CD1-CG2 4.23Å; I289-I613 HydrophobicContact CG1-CG2 3.98Å; I289-I613 HydrophobicContact CG2-CG2 4.18Å; I289-A617 HydrophobicContact CG2-CB 3.73Å; I289-L618 HydrophobicContact CD1-CD2 4.2Å; I289-I621 HydrophobicContact CD1-CD1 4.09Å; I289-I621 HydrophobicContact CG2-CD1 4.06Å |
| 290 | L | 88 | Confident | 82.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.9 | -51.5 | 176.8 | 179.5 | 79.8 | 0 | 0 | 0 | 111.7 | I286 D287 F292 L293 E294 I321 L324 N325 I328 | I286-L290 PolarHBondContact O-N 2.92Å; D287-L290 WeakPolarHBondContact O-CB 3.41Å; D287-L290 PolarHBondContact O-N 3.19Å; D287-L290 VanDerWaalsContact O-N 3.14Å; L290-F292 VanDerWaalsContact C-N 3.27Å; L290-F292 PolarHBondContact O-N 3.35Å; L290-L293 PolarHBondContact O-N 2.9Å; L290-E294 PolarHBondContact O-N 3.26Å; L290-I321 HydrophobicContact CD1-CB 4.34Å; L290-I321 HydrophobicContact CD1-CG2 3.83Å; L290-I321 WeakPolarHBondContact CD1-O 3.4Å; L290-L324 HydrophobicContact CD1-CB 3.83Å; L290-N325 WeakPolarHBondContact CD2-OD1 3.42Å; L290-I328 HydrophobicContact CD2-CD1 3.9Å |
| 291 | R | 83 | Confident | 80.9 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 22% | 0.223 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -33.6 | 179.6 | -60.3 | -53.2 | 164 | -149.2 | -7.3 | 112.5 | D287 I289 E294 N295 N657 | D287-R291 WeakPolarHBondContact O-CG 3.49Å; D287-R291 PolarHBondContact O-N 3.4Å; D287-R291 IonicContact OD1-CZ 2.72Å; D287-R291 VanDerWaalsContact OD1-CZ 3.27Å; D287-R291 IonicContact OD1-NE 3.72Å; D287-R291 PolarHBondContact OD1-NE 3.4Å; D287-R291 VanDerWaalsContact OD1-NE 3.13Å; D287-R291 IonicContact OD1-NH2 2.92Å; D287-R291 PolarHBondContact OD1-NH2 2.79Å; D287-R291 IonicContact OD2-NE 2.75Å; I289-R291 PolarHBondContact O-N 3.13Å; R291-E294 VanDerWaalsContact CD-OE2 3.29Å; R291-E294 WeakPolarHBondContact CD-OE2 3.31Å; R291-E294 IonicContact CZ-OE2 3.34Å; R291-E294 IonicContact NE-OE2 2.65Å; R291-E294 VanDerWaalsContact NH1-CD 3.31Å; R291-E294 IonicContact NH1-OE1 3.3Å; R291-E294 PolarHBondContact NH1-OE1 3.16Å; R291-E294 VanDerWaalsContact NH1-OE1 3.15Å; R291-E294 IonicContact NH1-OE2 2.71Å; R291-E294 PolarHBondContact NH1-OE2 3.44Å; R291-N295 PolarHBondContact O-N 2.77Å; R291-N657 HydrophobicContact CB-CB 4.49Å; R291-N657 WeakPolarHBondContact CB-ND2 3.25Å |
| 292 | F | 80 | Confident | 79.5 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 172.1 | -93.9 | -68.6 | 0 | 0 | 0 | 112.1 | K288 I289 L290 N295 I296 I621 N657 D658 | K288-F292 HydrophobicContact CG-CD2 4.4Å; K288-F292 HydrophobicContact CG-CE2 4.37Å; K288-F292 VanDerWaalsContact O-CD2 3.28Å; K288-F292 WeakPolarHBondContact O-CD2 3.23Å; K288-F292 PolarHBondContact O-N 3.24Å; I289-F292 WeakPolarHBondContact O-CB 3.41Å; I289-F292 PolarHBondContact O-N 2.96Å; L290-F292 VanDerWaalsContact C-N 3.27Å; L290-F292 PolarHBondContact O-N 3.35Å; F292-N295 PolarHBondContact O-N 3.03Å; F292-I296 WeakPolarHBondContact O-CG1 3.13Å; F292-I296 PolarHBondContact O-N 2.92Å; F292-I621 HydrophobicContact CB-CD1 4.22Å; F292-N657 WeakPolarHBondContact CD2-ND2 3.23Å; F292-N657 WeakPolarHBondContact CE2-ND2 3.2Å; F292-N657 PolarHBondContact N-ND2 2.96Å; F292-D658 HydrophobicContact CE2-CB 3.82Å; F292-D658 HydrophobicContact CZ-CB 4.04Å |
| 293 | L | 82.8 | Confident | 78 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.7 | -35.8 | 179.4 | -65.4 | 169.5 | 0 | 0 | 0 | 112.5 | I289 L290 N295 I296 K297 L317 L320 I321 L324 A617 I621 | I289-L293 HydrophobicContact CG2-CD1 4.21Å; I289-L293 WeakPolarHBondContact O-CG 3.48Å; I289-L293 PolarHBondContact O-N 3.38Å; I289-L293 VanDerWaalsContact O-N 3.13Å; L290-L293 PolarHBondContact O-N 2.9Å; L293-N295 VanDerWaalsContact C-N 3.34Å; L293-N295 PolarHBondContact O-N 3.43Å; L293-I296 HydrophobicContact CD2-CD1 4.37Å; L293-I296 WeakPolarHBondContact O-CB 3.48Å; L293-I296 PolarHBondContact O-N 2.93Å; L293-K297 PolarHBondContact O-N 3.06Å; L293-L317 HydrophobicContact CB-CD1 4.08Å; L293-L317 HydrophobicContact CD2-CD1 3.82Å; L293-L317 HydrophobicContact CG-CD1 4.46Å; L293-L320 HydrophobicContact CD1-CD2 3.6Å; L293-L320 HydrophobicContact CD1-CG 3.88Å; L293-L320 HydrophobicContact CD2-CD2 4.14Å; L293-I321 HydrophobicContact CB-CD1 4.22Å; L293-I321 HydrophobicContact CB-CG1 3.83Å; L293-L324 HydrophobicContact CD1-CD1 3.32Å; L293-A617 HydrophobicContact CD1-CB 4.17Å; L293-I621 HydrophobicContact CD2-CD1 4.41Å; L293-I621 HydrophobicContact CD2-CG1 4.02Å |
| 294 | E | 81.2 | Confident | 75.8 | Confident | 46 Ų | 46 | 47 Ų | 47 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 173.2 | -73.1 | 177.9 | 159.7 | 0 | 0 | 111.7 | L290 R291 I296 K297 D298 I321 | L290-E294 PolarHBondContact O-N 3.26Å; R291-E294 VanDerWaalsContact CD-OE2 3.29Å; R291-E294 WeakPolarHBondContact CD-OE2 3.31Å; R291-E294 IonicContact CZ-OE2 3.34Å; R291-E294 IonicContact NE-OE2 2.65Å; R291-E294 VanDerWaalsContact NH1-CD 3.31Å; R291-E294 IonicContact NH1-OE1 3.3Å; R291-E294 PolarHBondContact NH1-OE1 3.16Å; R291-E294 VanDerWaalsContact NH1-OE1 3.15Å; R291-E294 IonicContact NH1-OE2 2.71Å; R291-E294 PolarHBondContact NH1-OE2 3.44Å; E294-I296 VanDerWaalsContact C-N 3.27Å; E294-I296 PolarHBondContact O-N 3.31Å; E294-K297 WeakPolarHBondContact O-CB 3.28Å; E294-K297 PolarHBondContact O-N 3.45Å; E294-K297 VanDerWaalsContact O-N 3.17Å; E294-D298 PolarHBondContact O-N 3.02Å; E294-I321 HydrophobicContact CG-CD1 4.26Å; E294-I321 HydrophobicContact CG-CG2 4.37Å |
| 295 | N | 73.1 | Confident | 74.2 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 174.5 | -73 | -14.5 | 0 | 0 | 0 | 112.5 | R291 F292 L293 K299 F655 | R291-N295 PolarHBondContact O-N 2.77Å; F292-N295 PolarHBondContact O-N 3.03Å; L293-N295 VanDerWaalsContact C-N 3.34Å; L293-N295 PolarHBondContact O-N 3.43Å; N295-K299 PolarHBondContact O-N 3.19Å; N295-F655 VanDerWaalsContact OD1-CB 3.27Å; N295-F655 WeakPolarHBondContact OD1-CB 3.45Å |
| 296 | I | 75.7 | Confident | 72.2 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -45 | 175 | -69.4 | 169 | 0 | 0 | 0 | 110.3 | F292 L293 E294 K299 Q300 L317 I621 Y624 | F292-I296 WeakPolarHBondContact O-CG1 3.13Å; F292-I296 PolarHBondContact O-N 2.92Å; L293-I296 HydrophobicContact CD2-CD1 4.37Å; L293-I296 WeakPolarHBondContact O-CB 3.48Å; L293-I296 PolarHBondContact O-N 2.93Å; E294-I296 VanDerWaalsContact C-N 3.27Å; E294-I296 PolarHBondContact O-N 3.31Å; I296-K299 PolarHBondContact O-N 2.72Å; I296-Q300 PolarHBondContact O-N 3.2Å; I296-L317 HydrophobicContact CB-CD2 4.45Å; I296-L317 HydrophobicContact CG2-CD2 3.87Å; I296-I621 HydrophobicContact CD1-CG1 4.43Å; I296-Y624 HydrophobicContact CB-CD2 4.43Å; I296-Y624 HydrophobicContact CB-CE2 4.38Å; I296-Y624 HydrophobicContact CD1-CD1 4.36Å; I296-Y624 HydrophobicContact CD1-CD2 4.26Å; I296-Y624 HydrophobicContact CD1-CG 3.91Å; I296-Y624 HydrophobicContact CG1-CD1 3.86Å; I296-Y624 HydrophobicContact CG1-CD2 4.05Å; I296-Y624 HydrophobicContact CG1-CE1 4.14Å; I296-Y624 HydrophobicContact CG1-CE2 4.34Å; I296-Y624 HydrophobicContact CG1-CG 3.79Å; I296-Y624 HydrophobicContact CG2-CD2 3.62Å; I296-Y624 HydrophobicContact CG2-CE2 3.51Å; I296-Y624 HydrophobicContact CG2-CG 4.26Å |
| 297 | K | 76.6 | Confident | 70.6 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 179.9 | -170.5 | -161.9 | 75.3 | -177 | 0 | 111.5 | L293 E294 K299 Q300 L301 L317 I318 I321 | L293-K297 PolarHBondContact O-N 3.06Å; E294-K297 WeakPolarHBondContact O-CB 3.28Å; E294-K297 PolarHBondContact O-N 3.45Å; E294-K297 VanDerWaalsContact O-N 3.17Å; K297-K299 VanDerWaalsContact C-N 3.26Å; K297-K299 PolarHBondContact O-N 2.91Å; K297-Q300 PolarHBondContact O-N 3.06Å; K297-L301 HydrophobicContact CG-CD1 4.16Å; K297-L301 PolarHBondContact O-N 2.7Å; K297-L317 VanDerWaalsContact CA-CD2 3.5Å; K297-L317 HydrophobicContact CB-CD2 3.62Å; K297-L317 HydrophobicContact CB-CG 4.38Å; K297-L317 HydrophobicContact CG-CD2 4.14Å; K297-I318 HydrophobicContact CD-CG1 4.16Å; K297-I321 HydrophobicContact CB-CD1 4.05Å; K297-I321 HydrophobicContact CD-CD1 4.01Å; K297-I321 HydrophobicContact CG-CD1 4.42Å |
| 298 | D | 68.3 | Low | 69 | Low | 45 Ų | 45 | 63.1 Ų | 63.1 | 24% | 0.241 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69 | -25.6 | -177.6 | -73.3 | -4 | 0 | 0 | 0 | 112.1 | E294 N302 N648 | E294-D298 PolarHBondContact O-N 3.02Å; D298-N302 PolarHBondContact O-ND2 3.23Å; D298-N302 VanDerWaalsContact O-ND2 3.1Å; D298-N648 WeakPolarHBondContact CB-ND2 3.29Å; D298-N648 PolarHBondContact O-ND2 2.95Å |
| 299 | K | 67 | Low | 67.8 | Low | 46 Ų | 46 | 66.1 Ų | 66.1 | 20% | 0.2 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72.2 | -45.2 | 171.4 | -79.7 | -175.1 | 174.8 | -173.8 | 0 | 111.7 | N295 I296 K297 L301 N302 D303 Y624 N648 | N295-K299 PolarHBondContact O-N 3.19Å; I296-K299 PolarHBondContact O-N 2.72Å; K297-K299 VanDerWaalsContact C-N 3.26Å; K297-K299 PolarHBondContact O-N 2.91Å; K299-L301 VanDerWaalsContact C-N 3.28Å; K299-L301 PolarHBondContact O-N 3.3Å; K299-N302 PolarHBondContact O-N 2.97Å; K299-N302 VanDerWaalsContact O-N 3.15Å; K299-D303 PolarHBondContact O-N 3.37Å; K299-Y624 VanDerWaalsContact CB-OH 3.29Å; K299-Y624 WeakPolarHBondContact CB-OH 3.16Å; K299-Y624 HydrophobicContact CD-CE1 4.16Å; K299-N648 HydrophobicContact CG-CB 4.33Å; K299-N648 PolarHBondContact N-ND2 3.46Å |
| 300 | Q | 67.9 | Low | 66.5 | Low | 57 Ų | 57 | 68.3 Ų | 68.3 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64 | -30.7 | 179 | -73.5 | -177.4 | -29.5 | 0 | 0 | 113.4 | I296 K297 N302 N314 Y624 | I296-Q300 PolarHBondContact O-N 3.2Å; K297-Q300 PolarHBondContact O-N 3.06Å; Q300-N302 VanDerWaalsContact C-N 3.3Å; Q300-N302 PolarHBondContact O-N 3.12Å; Q300-N314 PolarHBondContact OE1-OD1 3.31Å; Q300-N314 VanDerWaalsContact OE1-OD1 3.08Å; Q300-Y624 HydrophobicContact CG-CE2 4.4Å |
| 301 | L | 60.1 | Low | 65.4 | Low | 100 Ų | 100 | 72.4 Ų | 72.4 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -23.3 | 175.6 | -79.7 | 162.1 | 0 | 0 | 0 | 113.7 | K297 K299 | K297-L301 HydrophobicContact CG-CD1 4.16Å; K297-L301 PolarHBondContact O-N 2.7Å; K299-L301 VanDerWaalsContact C-N 3.28Å; K299-L301 PolarHBondContact O-N 3.3Å |
| 302 | N | 58.6 | Low | 64.4 | Low | 64 Ų | 64 | 77.7 Ų | 77.7 | 34% | 0.342 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -25 | 178.4 | -64.5 | -29.2 | 0 | 0 | 0 | 112.8 | D298 K299 Q300 T304 N648 N650 | D298-N302 PolarHBondContact O-ND2 3.23Å; D298-N302 VanDerWaalsContact O-ND2 3.1Å; K299-N302 PolarHBondContact O-N 2.97Å; K299-N302 VanDerWaalsContact O-N 3.15Å; Q300-N302 VanDerWaalsContact C-N 3.3Å; Q300-N302 PolarHBondContact O-N 3.12Å; N302-T304 PolarHBondContact O-N 2.83Å; N302-N648 PolarHBondContact ND2-OD1 3.2Å; N302-N650 VanDerWaalsContact CG-ND2 3.35Å; N302-N650 PolarHBondContact ND2-ND2 3.01Å; N302-N650 PolarHBondContact ND2-OD1 3.08Å; N302-N650 PolarHBondContact OD1-ND2 2.83Å; N302-N650 PolarHBondContact OD1-OD1 3.45Å |
| 303 | D | 58.9 | Low | 64 | Low | 119 Ų | 119 | 82.7 Ų | 82.7 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -79.7 | 70.5 | 176.8 | -69.6 | -25.8 | 0 | 0 | 0 | 109.5 | K299 T305 | K299-D303 PolarHBondContact O-N 3.37Å; D303-T305 VanDerWaalsContact C-N 3.34Å; D303-T305 PolarHBondContact O-N 3.46Å |
| 304 | T | 44.6 | Very low | 63.6 | Low | 124 Ų | 124 | 84.2 Ų | 84.2 | 76% | 0.761 | 45% | 0.453 | S | S | * | . | trans | -73.4 | 81.4 | -178.9 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | N302 | N302-T304 PolarHBondContact O-N 2.83Š| ||
| 305 | T | 53.9 | Low | 63.5 | Low | 112 Ų | 112 | 87.1 Ų | 87.1 | 69% | 0.687 | 47% | 0.466 | S | S | * | . | trans | -127.5 | 97.8 | 153.1 | 52.1 | 0 | 0 | 0 | 0 | 107.6 | D303 D307 | D303-T305 VanDerWaalsContact C-N 3.34Å; D303-T305 PolarHBondContact O-N 3.46Å; T305-D307 PolarHBondContact O-N 3.13Å | ||
| 306 | A | 46.7 | Very low | 63.9 | Low | 104 Ų | 104 | 89.3 Ų | 89.3 | 86% | 0.86 | 48% | 0.48 | S | S | * | . | trans | -71.7 | 93.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 307 | D | 55.1 | Low | 64.3 | Low | 117 Ų | 117 | 88.9 Ų | 88.9 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | trans | -106.7 | 145.1 | 164.6 | -100.4 | -21.2 | 0 | 0 | 0 | 110.3 | T305 D309 T310 T311 | T305-D307 PolarHBondContact O-N 3.13Å; D307-D309 PolarHBondContact O-N 2.88Å; D307-T310 PolarHBondContact N-OG1 2.98Å; D307-T310 PolarHBondContact O-N 3.38Å; D307-T310 PolarHBondContact O-OG1 2.9Å; D307-T311 PolarHBondContact O-N 3.1Å; D307-T311 PolarHBondContact O-OG1 3.11Å | ||
| 308 | N | 56 | Low | 64.8 | Low | 147 Ų | 147 | 89 Ų | 89 | 79% | 0.786 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -55.2 | -27.9 | -178.6 | -74.1 | -24.6 | 0 | 0 | 0 | 113.9 | T311 Y312 | N308-T311 PolarHBondContact O-OG1 2.57Å; N308-Y312 PolarHBondContact O-N 3.1Å |
| 309 | D | 59.3 | Low | 65.8 | Low | 125 Ų | 125 | 90.7 Ų | 90.7 | 67% | 0.668 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.1 | -31 | 175.3 | -97.3 | -0.6 | 0 | 0 | 0 | 113.3 | D307 K313 | D307-D309 PolarHBondContact O-N 2.88Å; D309-K313 PolarHBondContact O-N 3.1Å |
| 310 | T | 60.9 | Low | 66.9 | Low | 59 Ų | 59 | 89.1 Ų | 89.1 | 36% | 0.362 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.6 | -35.7 | 176 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | D307 Y312 K313 N314 | D307-T310 PolarHBondContact N-OG1 2.98Å; D307-T310 PolarHBondContact O-N 3.38Å; D307-T310 PolarHBondContact O-OG1 2.9Å; T310-Y312 PolarHBondContact O-N 3.39Å; T310-K313 PolarHBondContact O-N 3.37Å; T310-N314 WeakPolarHBondContact O-CB 3.08Å; T310-N314 PolarHBondContact O-N 3.33Å |
| 311 | T | 62.8 | Low | 68 | Low | 86 Ų | 86 | 86.8 Ų | 86.8 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.8 | -10.5 | 0 | 0 | 0 | 0 | 111.6 | D307 N308 N314 Q315 | D307-T311 PolarHBondContact O-N 3.1Å; D307-T311 PolarHBondContact O-OG1 3.11Å; N308-T311 PolarHBondContact O-OG1 2.57Å; T311-N314 PolarHBondContact O-N 3.32Å; T311-Q315 WeakPolarHBondContact O-CB 3.48Å; T311-Q315 PolarHBondContact O-N 2.97Å |
| 312 | Y | 63.3 | Low | 69.5 | Low | 169 Ų | 169 | 85.6 Ų | 85.6 | 66% | 0.663 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 177.6 | -173.1 | -94.6 | 0 | 0 | 0 | 112.8 | N308 T310 Q315 T316 | N308-Y312 PolarHBondContact O-N 3.1Å; T310-Y312 PolarHBondContact O-N 3.39Å; Y312-Q315 PolarHBondContact O-N 3.2Å; Y312-T316 HydrophobicContact CD1-CG2 4.39Å; Y312-T316 HydrophobicContact CE1-CG2 3.96Å; Y312-T316 PolarHBondContact O-N 3.07Å; Y312-T316 PolarHBondContact O-OG1 3.35Å |
| 313 | K | 70.4 | Confident | 71.2 | Confident | 131 Ų | 131 | 86.1 Ų | 86.1 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 174.5 | -76.8 | 178.7 | -179.9 | 168.9 | 0 | 112.5 | D309 T310 Q315 T316 L317 | D309-K313 PolarHBondContact O-N 3.1Å; T310-K313 PolarHBondContact O-N 3.37Å; K313-Q315 VanDerWaalsContact C-N 3.34Å; K313-T316 WeakPolarHBondContact CA-OG1 3.4Å; K313-T316 PolarHBondContact O-N 3.39Å; K313-T316 PolarHBondContact O-OG1 3.25Å; K313-L317 PolarHBondContact O-N 3.47Å; K313-L317 VanDerWaalsContact O-N 3.08Å |
| 314 | N | 74.3 | Confident | 72.8 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 17% | 0.171 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.2 | -78.7 | -16 | 0 | 0 | 0 | 111.2 | Q300 T310 T311 L317 I318 | Q300-N314 PolarHBondContact OE1-OD1 3.31Å; Q300-N314 VanDerWaalsContact OE1-OD1 3.08Å; T310-N314 WeakPolarHBondContact O-CB 3.08Å; T310-N314 PolarHBondContact O-N 3.33Å; T311-N314 PolarHBondContact O-N 3.32Å; N314-L317 PolarHBondContact O-N 2.97Å; N314-I318 WeakPolarHBondContact O-CB 3.45Å; N314-I318 WeakPolarHBondContact O-CD1 3.4Å; N314-I318 VanDerWaalsContact O-CG1 3.23Å; N314-I318 WeakPolarHBondContact O-CG1 3.43Å; N314-I318 PolarHBondContact O-N 3.28Å |
| 315 | Q | 79.6 | Confident | 75 | Confident | 106 Ų | 106 | 76.9 Ų | 76.9 | 50% | 0.495 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 178.4 | -163.4 | 67 | 19.7 | 0 | 0 | 112.3 | T311 Y312 K313 I318 N319 | T311-Q315 WeakPolarHBondContact O-CB 3.48Å; T311-Q315 PolarHBondContact O-N 2.97Å; Y312-Q315 PolarHBondContact O-N 3.2Å; K313-Q315 VanDerWaalsContact C-N 3.34Å; Q315-I318 PolarHBondContact O-N 2.8Å; Q315-N319 WeakPolarHBondContact O-CB 3.15Å; Q315-N319 PolarHBondContact O-N 3.02Å; Q315-N319 PolarHBondContact O-ND2 3.11Å; Q315-N319 PolarHBondContact O-OD1 2.89Å |
| 316 | T | 82.2 | Confident | 76.9 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 36% | 0.362 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 176.7 | 42.8 | 0 | 0 | 0 | 0 | 112.3 | Y312 K313 N319 L320 | Y312-T316 HydrophobicContact CD1-CG2 4.39Å; Y312-T316 HydrophobicContact CE1-CG2 3.96Å; Y312-T316 PolarHBondContact O-N 3.07Å; Y312-T316 PolarHBondContact O-OG1 3.35Å; K313-T316 WeakPolarHBondContact CA-OG1 3.4Å; K313-T316 PolarHBondContact O-N 3.39Å; K313-T316 PolarHBondContact O-OG1 3.25Å; T316-N319 PolarHBondContact O-N 3.03Å; T316-L320 PolarHBondContact O-N 3.49Å |
| 317 | L | 84.9 | Confident | 79.1 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 173.7 | -178.4 | 65.1 | 0 | 0 | 0 | 112.3 | L293 I296 K297 K313 N314 N319 L320 I321 | L293-L317 HydrophobicContact CB-CD1 4.08Å; L293-L317 HydrophobicContact CD2-CD1 3.82Å; L293-L317 HydrophobicContact CG-CD1 4.46Å; I296-L317 HydrophobicContact CB-CD2 4.45Å; I296-L317 HydrophobicContact CG2-CD2 3.87Å; K297-L317 VanDerWaalsContact CA-CD2 3.5Å; K297-L317 HydrophobicContact CB-CD2 3.62Å; K297-L317 HydrophobicContact CB-CG 4.38Å; K297-L317 HydrophobicContact CG-CD2 4.14Å; K313-L317 PolarHBondContact O-N 3.47Å; K313-L317 VanDerWaalsContact O-N 3.08Å; N314-L317 PolarHBondContact O-N 2.97Å; L317-N319 VanDerWaalsContact C-N 3.31Å; L317-N319 PolarHBondContact O-N 3.26Å; L317-L320 PolarHBondContact O-N 2.99Å; L317-I321 HydrophobicContact CD1-CD1 4.4Å; L317-I321 HydrophobicContact CG-CD1 4.09Å; L317-I321 WeakPolarHBondContact O-CG1 3.43Å; L317-I321 PolarHBondContact O-N 2.97Å |
| 318 | I | 87 | Confident | 80.8 | Confident | 60 Ų | 60 | 68.4 Ų | 68.4 | 31% | 0.308 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 176 | -70.8 | 164.6 | 0 | 0 | 0 | 110.3 | K297 N314 Q315 L320 I321 N322 | K297-I318 HydrophobicContact CD-CG1 4.16Å; N314-I318 WeakPolarHBondContact O-CB 3.45Å; N314-I318 WeakPolarHBondContact O-CD1 3.4Å; N314-I318 VanDerWaalsContact O-CG1 3.23Å; N314-I318 WeakPolarHBondContact O-CG1 3.43Å; N314-I318 PolarHBondContact O-N 3.28Å; Q315-I318 PolarHBondContact O-N 2.8Å; I318-L320 VanDerWaalsContact C-N 3.34Å; I318-L320 PolarHBondContact O-N 3.1Å; I318-I321 PolarHBondContact O-N 3.46Å; I318-N322 WeakPolarHBondContact O-CB 3.34Å; I318-N322 PolarHBondContact O-N 3.04Å; I318-N322 PolarHBondContact O-ND2 3.5Å |
| 319 | N | 88.1 | Confident | 82.4 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 43% | 0.428 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.8 | -71.2 | -12.4 | 0 | 0 | 0 | 111.6 | Q315 T316 L317 N322 E323 | Q315-N319 WeakPolarHBondContact O-CB 3.15Å; Q315-N319 PolarHBondContact O-N 3.02Å; Q315-N319 PolarHBondContact O-ND2 3.11Å; Q315-N319 PolarHBondContact O-OD1 2.89Å; T316-N319 PolarHBondContact O-N 3.03Å; L317-N319 VanDerWaalsContact C-N 3.31Å; L317-N319 PolarHBondContact O-N 3.26Å; N319-N322 PolarHBondContact O-N 3.03Å; N319-E323 WeakPolarHBondContact O-CG 3.07Å; N319-E323 PolarHBondContact O-N 3.17Å |
| 320 | L | 90.9 | Very high | 83.8 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 177.2 | -179.3 | 63.7 | 0 | 0 | 0 | 112.5 | L293 T316 L317 I318 N322 E323 L324 F612 T616 A617 L620 | L293-L320 HydrophobicContact CD1-CD2 3.6Å; L293-L320 HydrophobicContact CD1-CG 3.88Å; L293-L320 HydrophobicContact CD2-CD2 4.14Å; T316-L320 PolarHBondContact O-N 3.49Å; L317-L320 PolarHBondContact O-N 2.99Å; I318-L320 VanDerWaalsContact C-N 3.34Å; I318-L320 PolarHBondContact O-N 3.1Å; L320-N322 VanDerWaalsContact C-N 3.29Å; L320-N322 PolarHBondContact O-N 3.36Å; L320-E323 PolarHBondContact O-N 3.46Å; L320-L324 HydrophobicContact CD1-CG 4.47Å; L320-L324 HydrophobicContact CG-CD1 4.32Å; L320-L324 WeakPolarHBondContact O-CG 3.26Å; L320-L324 PolarHBondContact O-N 3.33Å; L320-F612 HydrophobicContact CD1-CE1 3.76Å; L320-F612 HydrophobicContact CD1-CZ 3.69Å; L320-T616 WeakPolarHBondContact CD1-OG1 3.36Å; L320-A617 HydrophobicContact CD2-CB 3.96Å; L320-L620 HydrophobicContact CD2-CD1 3.65Å |
| 321 | I | 90.4 | Very high | 85.2 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 174.7 | -72.5 | 168.7 | 0 | 0 | 0 | 110 | L290 L293 E294 K297 L317 I318 E323 L324 N325 | L290-I321 HydrophobicContact CD1-CB 4.34Å; L290-I321 HydrophobicContact CD1-CG2 3.83Å; L290-I321 WeakPolarHBondContact CD1-O 3.4Å; L293-I321 HydrophobicContact CB-CD1 4.22Å; L293-I321 HydrophobicContact CB-CG1 3.83Å; E294-I321 HydrophobicContact CG-CD1 4.26Å; E294-I321 HydrophobicContact CG-CG2 4.37Å; K297-I321 HydrophobicContact CB-CD1 4.05Å; K297-I321 HydrophobicContact CD-CD1 4.01Å; K297-I321 HydrophobicContact CG-CD1 4.42Å; L317-I321 HydrophobicContact CD1-CD1 4.4Å; L317-I321 HydrophobicContact CG-CD1 4.09Å; L317-I321 WeakPolarHBondContact O-CG1 3.43Å; L317-I321 PolarHBondContact O-N 2.97Å; I318-I321 PolarHBondContact O-N 3.46Å; I321-E323 PolarHBondContact O-N 3.09Å; I321-L324 PolarHBondContact O-N 2.91Å; I321-N325 WeakPolarHBondContact O-CB 3.43Å; I321-N325 PolarHBondContact O-N 3.19Å; I321-N325 PolarHBondContact O-ND2 2.94Å |
| 322 | N | 92.2 | Very high | 86.3 | Confident | 75 Ų | 75 | 60 Ų | 60 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177 | -69 | -20.9 | 0 | 0 | 0 | 112 | I318 N319 L320 N325 K326 | I318-N322 WeakPolarHBondContact O-CB 3.34Å; I318-N322 PolarHBondContact O-N 3.04Å; I318-N322 PolarHBondContact O-ND2 3.5Å; N319-N322 PolarHBondContact O-N 3.03Å; L320-N322 VanDerWaalsContact C-N 3.29Å; L320-N322 PolarHBondContact O-N 3.36Å; N322-N325 PolarHBondContact O-N 2.89Å; N322-K326 WeakPolarHBondContact O-CG 3.45Å; N322-K326 PolarHBondContact O-N 2.93Å |
| 323 | E | 93 | Very high | 87.2 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 176.5 | -73.8 | -55.3 | 125.2 | 0 | 0 | 113 | N319 L320 I321 K326 K327 F612 | N319-E323 WeakPolarHBondContact O-CG 3.07Å; N319-E323 PolarHBondContact O-N 3.17Å; L320-E323 PolarHBondContact O-N 3.46Å; I321-E323 PolarHBondContact O-N 3.09Å; E323-K326 WeakPolarHBondContact O-CB 3.11Å; E323-K326 PolarHBondContact O-N 3.45Å; E323-K326 IonicContact OE1-NZ 2.73Å; E323-K326 PolarHBondContact OE1-NZ 3.3Å; E323-K327 WeakPolarHBondContact O-CG 3.43Å; E323-K327 PolarHBondContact O-N 3.46Å; E323-F612 HydrophobicContact CB-CZ 4.21Å |
| 324 | L | 92.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.5 | -40 | 175.4 | -67.5 | 171.9 | 0 | 0 | 0 | 111.9 | I286 I289 L290 L293 L320 I321 K326 K327 I328 F612 I613 | I286-L324 HydrophobicContact CG2-CB 4.18Å; I286-L324 HydrophobicContact CG2-CD2 3.99Å; I289-L324 HydrophobicContact CG2-CD1 3.93Å; L290-L324 HydrophobicContact CD1-CB 3.83Å; L293-L324 HydrophobicContact CD1-CD1 3.32Å; L320-L324 HydrophobicContact CD1-CG 4.47Å; L320-L324 HydrophobicContact CG-CD1 4.32Å; L320-L324 WeakPolarHBondContact O-CG 3.26Å; L320-L324 PolarHBondContact O-N 3.33Å; I321-L324 PolarHBondContact O-N 2.91Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 3.19Å; L324-K327 WeakPolarHBondContact O-CB 3.42Å; L324-K327 PolarHBondContact O-N 3.42Å; L324-K327 VanDerWaalsContact O-N 3.15Å; L324-I328 PolarHBondContact O-N 3.48Å; L324-F612 HydrophobicContact CD2-CD1 4.42Å; L324-F612 HydrophobicContact CD2-CE1 4.08Å; L324-I613 HydrophobicContact CD2-CD1 4.09Å; L324-I613 HydrophobicContact CD2-CG1 3.75Å |
| 325 | N | 91.7 | Very high | 88.4 | Confident | 49 Ų | 49 | 51 Ų | 51 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 171.6 | -83.7 | -41 | 0 | 0 | 0 | 111.5 | L290 I321 N322 K327 I328 N329 | L290-N325 WeakPolarHBondContact CD2-OD1 3.42Å; I321-N325 WeakPolarHBondContact O-CB 3.43Å; I321-N325 PolarHBondContact O-N 3.19Å; I321-N325 PolarHBondContact O-ND2 2.94Å; N322-N325 PolarHBondContact O-N 2.89Å; N325-K327 VanDerWaalsContact C-N 3.3Å; N325-K327 PolarHBondContact O-N 2.85Å; N325-I328 PolarHBondContact O-N 3.17Å; N325-N329 WeakPolarHBondContact O-CB 3.29Å; N325-N329 PolarHBondContact O-N 3.12Å; N325-N329 PolarHBondContact O-ND2 3.34Å |
| 326 | K | 92.4 | Very high | 88.5 | Confident | 110 Ų | 110 | 49.7 Ų | 49.7 | 48% | 0.478 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 173.8 | -73.8 | 174.5 | -171.9 | 171.9 | 0 | 111.7 | N322 E323 L324 N329 N330 | N322-K326 WeakPolarHBondContact O-CG 3.45Å; N322-K326 PolarHBondContact O-N 2.93Å; E323-K326 WeakPolarHBondContact O-CB 3.11Å; E323-K326 PolarHBondContact O-N 3.45Å; E323-K326 IonicContact OE1-NZ 2.73Å; E323-K326 PolarHBondContact OE1-NZ 3.3Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 3.19Å; K326-N329 PolarHBondContact O-N 3.26Å; K326-N330 WeakPolarHBondContact O-CB 3.25Å; K326-N330 PolarHBondContact O-N 2.98Å; K326-N330 PolarHBondContact O-ND2 3.29Å; K326-N330 PolarHBondContact O-OD1 3.21Å |
| 327 | K | 94.1 | Very high | 88.2 | Confident | 35 Ų | 35 | 52.5 Ų | 52.5 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 177.2 | -71.4 | 174.5 | 179.7 | -63.5 | 0 | 112.4 | I286 E323 L324 N325 N329 N330 W331 D609 F612 | I286-K327 HydrophobicContact CD1-CB 4.23Å; E323-K327 WeakPolarHBondContact O-CG 3.43Å; E323-K327 PolarHBondContact O-N 3.46Å; L324-K327 WeakPolarHBondContact O-CB 3.42Å; L324-K327 PolarHBondContact O-N 3.42Å; L324-K327 VanDerWaalsContact O-N 3.15Å; N325-K327 VanDerWaalsContact C-N 3.3Å; N325-K327 PolarHBondContact O-N 2.85Å; K327-N329 PolarHBondContact O-N 2.88Å; K327-N330 WeakPolarHBondContact O-CB 3.02Å; K327-N330 PolarHBondContact O-N 3.48Å; K327-W331 PolarHBondContact O-N 2.78Å; K327-D609 WeakPolarHBondContact CD-OD1 3.27Å; K327-D609 WeakPolarHBondContact CE-OD1 3.47Å; K327-D609 IonicContact NZ-OD1 2.7Å; K327-D609 PolarHBondContact NZ-OD1 2.63Å; K327-F612 HydrophobicContact CD-CD1 4.2Å; K327-F612 HydrophobicContact CD-CE1 4.43Å; K327-F612 VanDerWaalsContact CE-CD1 3.46Å |
| 328 | I | 90.3 | Very high | 87.9 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -50.8 | 174.3 | -68.7 | 170 | 0 | 0 | 0 | 110.2 | I283 I286 D287 L290 L324 N325 N330 W331 E332 | I283-I328 HydrophobicContact CG2-CG2 4.16Å; I286-I328 HydrophobicContact CB-CD1 4.4Å; I286-I328 HydrophobicContact CB-CG1 3.9Å; I286-I328 HydrophobicContact CG2-CD1 3.97Å; I286-I328 HydrophobicContact CG2-CG1 3.56Å; D287-I328 HydrophobicContact CB-CD1 3.95Å; L290-I328 HydrophobicContact CD2-CD1 3.9Å; L324-I328 PolarHBondContact O-N 3.48Å; N325-I328 PolarHBondContact O-N 3.17Å; I328-N330 PolarHBondContact O-N 3.11Å; I328-W331 PolarHBondContact O-N 3.31Å; I328-E332 HydrophobicContact CG2-CG 4.27Å; I328-E332 WeakPolarHBondContact O-CG 3.37Å; I328-E332 PolarHBondContact O-N 2.8Å |
| 329 | N | 89.2 | Confident | 87.7 | Confident | 80 Ų | 80 | 51.7 Ų | 51.7 | 43% | 0.428 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.9 | -38.8 | 178.8 | -67.3 | -15 | 0 | 0 | 0 | 111.6 | N325 K326 K327 E332 N333 | N325-N329 WeakPolarHBondContact O-CB 3.29Å; N325-N329 PolarHBondContact O-N 3.12Å; N325-N329 PolarHBondContact O-ND2 3.34Å; K326-N329 PolarHBondContact O-N 3.26Å; K327-N329 PolarHBondContact O-N 2.88Å; N329-E332 PolarHBondContact O-N 3.13Å; N329-N333 WeakPolarHBondContact O-CB 3.47Å; N329-N333 PolarHBondContact O-N 3.04Å; N329-N333 PolarHBondContact O-ND2 3.14Å |
| 330 | N | 88.9 | Confident | 87.2 | Confident | 93 Ų | 93 | 52.6 Ų | 52.6 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.4 | -70.6 | -11.1 | 0 | 0 | 0 | 112 | K326 K327 I328 N333 I334 | K326-N330 WeakPolarHBondContact O-CB 3.25Å; K326-N330 PolarHBondContact O-N 2.98Å; K326-N330 PolarHBondContact O-ND2 3.29Å; K326-N330 PolarHBondContact O-OD1 3.21Å; K327-N330 WeakPolarHBondContact O-CB 3.02Å; K327-N330 PolarHBondContact O-N 3.48Å; I328-N330 PolarHBondContact O-N 3.11Å; N330-N333 WeakPolarHBondContact O-CB 3.06Å; N330-N333 PolarHBondContact O-N 3.2Å; N330-I334 VanDerWaalsContact O-CG1 3.3Å; N330-I334 WeakPolarHBondContact O-CG1 3.45Å; N330-I334 PolarHBondContact O-N 3.45Å |
| 331 | W | 89.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.3 | -36.9 | 177.5 | -74.7 | 108.4 | 0 | 0 | 0 | 113.3 | F279 H282 I283 K327 I328 N333 I334 Y335 F602 I606 D609 | F279-W331 AromaticContact CD1-CE3 3.96Å; F279-W331 HydrophobicContact CD1-CE3 3.96Å; F279-W331 AromaticContact CD1-CZ3 3.92Å; F279-W331 HydrophobicContact CD1-CZ3 3.92Å; F279-W331 HydrophobicContact CE1-CE3 4.4Å; F279-W331 HydrophobicContact CE1-CZ3 4.02Å; H282-W331 AromaticContact CD2-CD1 3.59Å; H282-W331 AromaticContact CD2-CD2 3.82Å; H282-W331 AromaticContact CD2-CE2 3.29Å; H282-W331 AromaticContact CD2-CG 4Å; H282-W331 AromaticContact CD2-CZ2 3.72Å; H282-W331 AromaticContact CD2-NE1 3.17Å; H282-W331 PolarHBondContact CD2-NE1 3.33Å; H282-W331 AromaticContact NE2-CD1 3.97Å; H282-W331 AromaticContact NE2-CE2 3.58Å; H282-W331 AromaticContact NE2-CZ2 3.81Å; H282-W331 AromaticContact NE2-NE1 3.23Å; H282-W331 PolarHBondContact NE2-NE1 3.29Å; I283-W331 HydrophobicContact CD1-CB 4Å; I283-W331 HydrophobicContact CG1-CB 3.66Å; K327-W331 PolarHBondContact O-N 2.78Å; I328-W331 PolarHBondContact O-N 3.31Å; W331-N333 VanDerWaalsContact C-N 3.3Å; W331-I334 HydrophobicContact CD2-CD1 4.22Å; W331-I334 HydrophobicContact CE3-CB 4.45Å; W331-I334 HydrophobicContact CE3-CD1 3.76Å; W331-I334 HydrophobicContact CE3-CG2 4.44Å; W331-I334 HydrophobicContact CZ3-CD1 3.96Å; W331-I334 PolarHBondContact O-N 2.75Å; W331-Y335 PolarHBondContact O-N 3.36Å; W331-F602 HydrophobicContact CH2-CB 4.36Å; W331-F602 HydrophobicContact CZ3-CB 4.37Å; W331-F602 HydrophobicContact CZ3-CD1 4.17Å; W331-I606 HydrophobicContact CH2-CD1 4.46Å; W331-I606 HydrophobicContact CH2-CG1 3.7Å; W331-I606 HydrophobicContact CZ2-CG1 3.84Å; W331-I606 HydrophobicContact CZ3-CG1 4.5Å; W331-D609 PolarHBondContact NE1-OD2 3.19Å |
| 332 | E | 86.8 | Confident | 86 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 171.6 | -71.1 | -173.7 | 157.6 | 0 | 0 | 111.1 | I283 I328 N329 Y335 N336 Y724 | I283-E332 HydrophobicContact CD1-CG 3.91Å; I328-E332 HydrophobicContact CG2-CG 4.27Å; I328-E332 WeakPolarHBondContact O-CG 3.37Å; I328-E332 PolarHBondContact O-N 2.8Å; N329-E332 PolarHBondContact O-N 3.13Å; E332-Y335 PolarHBondContact O-N 2.73Å; E332-N336 WeakPolarHBondContact O-CB 3.44Å; E332-N336 PolarHBondContact O-N 2.91Å; E332-N336 PolarHBondContact O-ND2 3.4Å; E332-N336 VanDerWaalsContact O-ND2 3.17Å; E332-Y724 PolarHBondContact OE1-OH 2.82Å |
| 333 | N | 82.7 | Confident | 85.5 | Confident | 87 Ų | 87 | 50.6 Ų | 50.6 | 47% | 0.465 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 173.4 | -72.2 | -23.2 | 0 | 0 | 0 | 111.9 | N329 N330 W331 Y335 N336 Q337 | N329-N333 WeakPolarHBondContact O-CB 3.47Å; N329-N333 PolarHBondContact O-N 3.04Å; N329-N333 PolarHBondContact O-ND2 3.14Å; N330-N333 WeakPolarHBondContact O-CB 3.06Å; N330-N333 PolarHBondContact O-N 3.2Å; W331-N333 VanDerWaalsContact C-N 3.3Å; N333-Y335 VanDerWaalsContact C-N 3.33Å; N333-Y335 PolarHBondContact O-N 2.85Å; N333-N336 PolarHBondContact O-N 2.76Å; N333-Q337 WeakPolarHBondContact O-CB 3.44Å; N333-Q337 VanDerWaalsContact O-CG 3.31Å; N333-Q337 WeakPolarHBondContact O-CG 3.27Å; N333-Q337 PolarHBondContact O-N 3.2Å |
| 334 | I | 84.4 | Confident | 84.7 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.2 | -69.2 | 164.5 | 0 | 0 | 0 | 111 | F279 N330 W331 S338 F602 | F279-I334 HydrophobicContact CE1-CG2 4.17Å; F279-I334 HydrophobicContact CE2-CG2 4.2Å; F279-I334 HydrophobicContact CZ-CG2 3.87Å; N330-I334 VanDerWaalsContact O-CG1 3.3Å; N330-I334 WeakPolarHBondContact O-CG1 3.45Å; N330-I334 PolarHBondContact O-N 3.45Å; W331-I334 HydrophobicContact CD2-CD1 4.22Å; W331-I334 HydrophobicContact CE3-CB 4.45Å; W331-I334 HydrophobicContact CE3-CD1 3.76Å; W331-I334 HydrophobicContact CE3-CG2 4.44Å; W331-I334 HydrophobicContact CZ3-CD1 3.96Å; W331-I334 PolarHBondContact O-N 2.75Å; I334-S338 WeakPolarHBondContact O-CB 3.33Å; I334-S338 PolarHBondContact O-N 2.95Å; I334-S338 PolarHBondContact O-OG 3.26Å; I334-F602 HydrophobicContact CG2-CD1 4.43Å; I334-F602 HydrophobicContact CG2-CE1 3.82Å; I334-F602 HydrophobicContact CG2-CZ 4.35Å |
| 335 | Y | 85.4 | Confident | 84.1 | Confident | 8 Ų | 8 | 48 Ų | 48 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | 175.6 | 165.9 | -107.7 | 0 | 0 | 0 | 111.7 | F272 K276 F279 F280 W331 E332 N333 Q337 S338 K339 | F272-Y335 HydrophobicContact CE2-CE2 4.41Å; F272-Y335 HydrophobicContact CZ-CD2 4.48Å; F272-Y335 AromaticContact CZ-CE2 3.78Å; F272-Y335 HydrophobicContact CZ-CE2 3.78Å; K276-Y335 HydrophobicContact CB-CE2 4.14Å; K276-Y335 HydrophobicContact CD-CE2 4.1Å; K276-Y335 HydrophobicContact CG-CD2 4.42Å; K276-Y335 HydrophobicContact CG-CE2 3.74Å; F279-Y335 HydrophobicContact CD2-CD2 4.28Å; F280-Y335 HydrophobicContact CE1-CD1 4.11Å; F280-Y335 HydrophobicContact CE1-CD2 4.05Å; F280-Y335 HydrophobicContact CE1-CE1 4.01Å; F280-Y335 AromaticContact CE1-CE2 3.96Å; F280-Y335 HydrophobicContact CE1-CE2 3.96Å; F280-Y335 HydrophobicContact CE1-CG 4.11Å; F280-Y335 AromaticContact CE1-CZ 3.92Å; F280-Y335 HydrophobicContact CZ-CE1 4.16Å; F280-Y335 HydrophobicContact CZ-CE2 4.23Å; F280-Y335 AromaticContact CZ-CZ 3.89Å; W331-Y335 PolarHBondContact O-N 3.36Å; E332-Y335 PolarHBondContact O-N 2.73Å; N333-Y335 VanDerWaalsContact C-N 3.33Å; N333-Y335 PolarHBondContact O-N 2.85Å; Y335-Q337 PolarHBondContact O-N 3.02Å; Y335-S338 WeakPolarHBondContact O-CB 3.2Å; Y335-S338 PolarHBondContact O-N 2.85Å; Y335-K339 WeakPolarHBondContact O-CB 3.34Å; Y335-K339 PolarHBondContact O-N 2.89Å |
| 336 | N | 81.2 | Confident | 83.7 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 179.2 | -71.9 | -29.7 | 0 | 0 | 0 | 111.5 | E332 N333 S338 K339 L340 | E332-N336 WeakPolarHBondContact O-CB 3.44Å; E332-N336 PolarHBondContact O-N 2.91Å; E332-N336 PolarHBondContact O-ND2 3.4Å; E332-N336 VanDerWaalsContact O-ND2 3.17Å; N333-N336 PolarHBondContact O-N 2.76Å; N336-S338 PolarHBondContact O-N 3.29Å; N336-K339 PolarHBondContact O-N 3.31Å; N336-L340 WeakPolarHBondContact O-CG 3.42Å; N336-L340 PolarHBondContact O-N 2.89Å |
| 337 | Q | 76.2 | Confident | 83.1 | Confident | 118 Ų | 118 | 41.5 Ų | 41.5 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.1 | -43.2 | 173.7 | -73.8 | 177.6 | -10.7 | 0 | 0 | 111.8 | N333 Y335 K339 L340 K341 | N333-Q337 WeakPolarHBondContact O-CB 3.44Å; N333-Q337 VanDerWaalsContact O-CG 3.31Å; N333-Q337 WeakPolarHBondContact O-CG 3.27Å; N333-Q337 PolarHBondContact O-N 3.2Å; Y335-Q337 PolarHBondContact O-N 3.02Å; Q337-K339 VanDerWaalsContact C-N 3.35Å; Q337-K339 PolarHBondContact O-N 3.46Å; Q337-L340 PolarHBondContact O-N 3.05Å; Q337-K341 WeakPolarHBondContact O-CB 3.45Å; Q337-K341 PolarHBondContact O-N 2.82Å |
| 338 | S | 78.8 | Confident | 82.3 | Confident | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | I334 Y335 N336 K341 F342 | I334-S338 WeakPolarHBondContact O-CB 3.33Å; I334-S338 PolarHBondContact O-N 2.95Å; I334-S338 PolarHBondContact O-OG 3.26Å; Y335-S338 WeakPolarHBondContact O-CB 3.2Å; Y335-S338 PolarHBondContact O-N 2.85Å; N336-S338 PolarHBondContact O-N 3.29Å; S338-K341 PolarHBondContact O-N 3.05Å; S338-F342 WeakPolarHBondContact O-CB 3.16Å; S338-F342 PolarHBondContact O-N 2.91Å |
| 339 | K | 82.7 | Confident | 82 | Confident | 40 Ų | 40 | 40.6 Ų | 40.6 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | 176.8 | -172 | 178.8 | -175.3 | -179.8 | 0 | 111.2 | F272 Y335 N336 Q337 F342 N343 E757 | F272-K339 HydrophobicContact CE1-CG 4.49Å; F272-K339 VanDerWaalsContact CE2-CA 3.49Å; F272-K339 HydrophobicContact CE2-CB 3.96Å; F272-K339 HydrophobicContact CE2-CG 4.47Å; F272-K339 HydrophobicContact CZ-CB 3.7Å; F272-K339 HydrophobicContact CZ-CG 3.81Å; Y335-K339 WeakPolarHBondContact O-CB 3.34Å; Y335-K339 PolarHBondContact O-N 2.89Å; N336-K339 PolarHBondContact O-N 3.31Å; Q337-K339 VanDerWaalsContact C-N 3.35Å; Q337-K339 PolarHBondContact O-N 3.46Å; K339-F342 PolarHBondContact O-N 2.82Å; K339-N343 VanDerWaalsContact O-CG 3.31Å; K339-N343 PolarHBondContact O-N 3.03Å; K339-N343 PolarHBondContact O-ND2 2.85Å; K339-E757 IonicContact NZ-OE1 3.55Å; K339-E757 PolarHBondContact NZ-OE1 2.99Å; K339-E757 IonicContact NZ-OE2 3.58Å; K339-E757 PolarHBondContact NZ-OE2 2.98Å |
| 340 | L | 76.3 | Confident | 81.8 | Confident | 99 Ų | 99 | 39.7 Ų | 39.7 | 52% | 0.518 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.6 | -49.2 | 174.4 | -72.9 | 170.2 | 0 | 0 | 0 | 110.7 | N336 Q337 F342 N343 L344 | N336-L340 WeakPolarHBondContact O-CG 3.42Å; N336-L340 PolarHBondContact O-N 2.89Å; Q337-L340 PolarHBondContact O-N 3.05Å; L340-F342 PolarHBondContact O-N 2.9Å; L340-N343 PolarHBondContact O-N 3.1Å; L340-L344 VanDerWaalsContact O-CG 3.28Å; L340-L344 WeakPolarHBondContact O-CG 3.38Å; L340-L344 PolarHBondContact O-N 3.01Å |
| 341 | K | 75.7 | Confident | 81.3 | Confident | 29 Ų | 29 | 39.5 Ų | 39.5 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 178.8 | -163.5 | 166.4 | -170.6 | -178.1 | 0 | 112.8 | Q337 S338 N343 L344 L345 Y501 F584 N585 | Q337-K341 WeakPolarHBondContact O-CB 3.45Å; Q337-K341 PolarHBondContact O-N 2.82Å; S338-K341 PolarHBondContact O-N 3.05Å; K341-N343 PolarHBondContact O-N 3Å; K341-L344 PolarHBondContact O-N 3.16Å; K341-L345 WeakPolarHBondContact O-CG 2.93Å; K341-L345 PolarHBondContact O-N 3.45Å; K341-Y501 HydrophobicContact CD-CE2 4.44Å; K341-Y501 VanDerWaalsContact CE-CE2 3.48Å; K341-Y501 VanDerWaalsContact CE-OH 3.32Å; K341-Y501 WeakPolarHBondContact CE-OH 3.24Å; K341-Y501 HydrophobicContact CG-CE2 4.2Å; K341-F584 HydrophobicContact CB-CD2 4.49Å; K341-F584 HydrophobicContact CD-CB 3.48Å; K341-F584 VanDerWaalsContact CD-CB 3.48Å; K341-F584 HydrophobicContact CD-CD2 3.8Å; K341-F584 HydrophobicContact CD-CG 3.85Å; K341-F584 HydrophobicContact CG-CB 4.03Å; K341-F584 HydrophobicContact CG-CD2 4.24Å; K341-F584 HydrophobicContact CG-CG 4.11Å; K341-N585 PolarHBondContact NZ-OD1 3.22Å |
| 342 | F | 82.2 | Confident | 80.9 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 173 | 162.7 | -102.3 | 0 | 0 | 0 | 112.3 | L268 K269 F272 S338 K339 L340 L344 L345 C346 | L268-F342 HydrophobicContact CB-CD2 4.26Å; L268-F342 HydrophobicContact CB-CE2 4.04Å; K269-F342 HydrophobicContact CB-CE2 4.11Å; K269-F342 HydrophobicContact CB-CZ 4.14Å; K269-F342 HydrophobicContact CG-CZ 4.35Å; F272-F342 HydrophobicContact CB-CB 4.35Å; F272-F342 HydrophobicContact CB-CD2 3.7Å; F272-F342 HydrophobicContact CB-CE2 4.17Å; F272-F342 HydrophobicContact CB-CG 3.93Å; F272-F342 HydrophobicContact CD1-CD1 4.01Å; F272-F342 HydrophobicContact CD1-CE1 4.3Å; F272-F342 HydrophobicContact CD1-CG 4.15Å; F272-F342 HydrophobicContact CD2-CB 3.77Å; F272-F342 HydrophobicContact CD2-CG 4.05Å; F272-F342 HydrophobicContact CE1-CD1 4.35Å; F272-F342 HydrophobicContact CE2-CB 4.29Å; F272-F342 HydrophobicContact CG-CB 4.02Å; F272-F342 HydrophobicContact CG-CD1 4.09Å; F272-F342 HydrophobicContact CG-CD2 4.07Å; F272-F342 AromaticContact CG-CG 3.76Å; F272-F342 HydrophobicContact CG-CG 3.76Å; S338-F342 WeakPolarHBondContact O-CB 3.16Å; S338-F342 PolarHBondContact O-N 2.91Å; K339-F342 PolarHBondContact O-N 2.82Å; L340-F342 PolarHBondContact O-N 2.9Å; F342-L344 VanDerWaalsContact C-N 3.33Å; F342-L344 PolarHBondContact O-N 2.85Å; F342-L345 PolarHBondContact O-N 3.24Å; F342-C346 WeakPolarHBondContact CE2-SG 3.31Å; F342-C346 VanDerWaalsContact CZ-SG 3.55Å; F342-C346 PolarHBondContact O-N 3.44Å; F342-C346 VanDerWaalsContact O-N 3.08Å; F342-C346 PolarHBondContact O-SG 3.06Å |
| 343 | N | 81.2 | Confident | 80.9 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 8% | 0.08 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 178.7 | -73.2 | -23.5 | 0 | 0 | 0 | 111.6 | K339 L340 K341 C346 N347 S1469 | K339-N343 VanDerWaalsContact O-CG 3.31Å; K339-N343 PolarHBondContact O-N 3.03Å; K339-N343 PolarHBondContact O-ND2 2.85Å; L340-N343 PolarHBondContact O-N 3.1Å; K341-N343 PolarHBondContact O-N 3Å; N343-C346 PolarHBondContact O-N 3.08Å; N343-N347 PolarHBondContact O-N 3.34Å; N343-N347 PolarHBondContact O-ND2 3.09Å; N343-N347 PolarHBondContact O-OD1 2.9Å; N343-S1469 PolarHBondContact ND2-OG 3.23Å; N343-S1469 PolarHBondContact OD1-O 3Å; N343-S1469 PolarHBondContact OD1-OG 3.35Å |
| 344 | L | 76.1 | Confident | 80.9 | Confident | 17 Ų | 17 | 37 Ų | 37 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.2 | -70.7 | 169.7 | 0 | 0 | 0 | 112.6 | L340 K341 F342 C346 N347 R348 N499 D502 | L340-L344 VanDerWaalsContact O-CG 3.28Å; L340-L344 WeakPolarHBondContact O-CG 3.38Å; L340-L344 PolarHBondContact O-N 3.01Å; K341-L344 PolarHBondContact O-N 3.16Å; F342-L344 VanDerWaalsContact C-N 3.33Å; F342-L344 PolarHBondContact O-N 2.85Å; L344-C346 VanDerWaalsContact C-N 3.31Å; L344-C346 PolarHBondContact O-N 2.75Å; L344-N347 PolarHBondContact O-N 3.27Å; L344-R348 WeakPolarHBondContact O-CB 3.37Å; L344-R348 PolarHBondContact O-N 3.02Å; L344-N499 HydrophobicContact CD1-CB 4.1Å; L344-N499 WeakPolarHBondContact CD1-ND2 3.38Å; L344-D502 WeakPolarHBondContact CD2-OD1 2.97Å |
| 345 | L | 79.3 | Confident | 80.7 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -39.8 | 174.3 | -71.5 | 172.4 | 0 | 0 | 0 | 112 | L268 K341 F342 R348 L349 Y501 F584 | L268-L345 HydrophobicContact CD1-CB 3.94Å; L268-L345 HydrophobicContact CD2-CD1 4.32Å; K341-L345 WeakPolarHBondContact O-CG 2.93Å; K341-L345 PolarHBondContact O-N 3.45Å; F342-L345 PolarHBondContact O-N 3.24Å; L345-R348 PolarHBondContact O-N 3.41Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.42Å; L345-L349 VanDerWaalsContact O-N 3.12Å; L345-Y501 HydrophobicContact CD2-CD1 3.96Å; L345-Y501 HydrophobicContact CD2-CE1 3.62Å; L345-F584 HydrophobicContact CD1-CB 4.36Å; L345-F584 HydrophobicContact CD1-CD1 3.62Å; L345-F584 HydrophobicContact CD1-CE1 4.35Å; L345-F584 HydrophobicContact CD1-CG 4.36Å |
| 346 | C | 83.6 | Confident | 80.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -47 | 174.8 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | F342 N343 L344 R348 L349 E350 | F342-C346 WeakPolarHBondContact CE2-SG 3.31Å; F342-C346 VanDerWaalsContact CZ-SG 3.55Å; F342-C346 PolarHBondContact O-N 3.44Å; F342-C346 VanDerWaalsContact O-N 3.08Å; F342-C346 PolarHBondContact O-SG 3.06Å; N343-C346 PolarHBondContact O-N 3.08Å; L344-C346 VanDerWaalsContact C-N 3.31Å; L344-C346 PolarHBondContact O-N 2.75Å; C346-R348 VanDerWaalsContact C-N 3.28Å; C346-R348 PolarHBondContact O-N 2.75Å; C346-L349 PolarHBondContact O-N 3.2Å; C346-E350 WeakPolarHBondContact O-CG 3.41Å; C346-E350 PolarHBondContact O-N 3.21Å |
| 347 | N | 79.5 | Confident | 81.2 | Confident | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 177.8 | -65.2 | -20.3 | 0 | 0 | 0 | 111 | N343 L344 L349 E350 E351 | N343-N347 PolarHBondContact O-N 3.34Å; N343-N347 PolarHBondContact O-ND2 3.09Å; N343-N347 PolarHBondContact O-OD1 2.9Å; L344-N347 PolarHBondContact O-N 3.27Å; N347-L349 PolarHBondContact O-N 3.03Å; N347-E350 PolarHBondContact O-N 2.89Å; N347-E351 WeakPolarHBondContact O-CB 3.43Å; N347-E351 WeakPolarHBondContact O-CG 3.37Å; N347-E351 PolarHBondContact O-N 2.92Å |
| 348 | R | 78.1 | Confident | 81.6 | Confident | 23 Ų | 23 | 28.5 Ų | 28.5 | 9% | 0.087 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 178 | -174 | 171.4 | 149.5 | 159.6 | -18.7 | 112.7 | L344 L345 C346 E351 Y352 L409 E572 I589 | L344-R348 WeakPolarHBondContact O-CB 3.37Å; L344-R348 PolarHBondContact O-N 3.02Å; L345-R348 PolarHBondContact O-N 3.41Å; C346-R348 VanDerWaalsContact C-N 3.28Å; C346-R348 PolarHBondContact O-N 2.75Å; R348-E351 PolarHBondContact O-N 3.48Å; R348-Y352 WeakPolarHBondContact O-CB 3.31Å; R348-Y352 PolarHBondContact O-N 3.03Å; R348-L409 VanDerWaalsContact CZ-CD1 3.44Å; R348-L409 VanDerWaalsContact NH2-CD1 3.25Å; R348-E572 IonicContact CZ-OE2 2.84Å; R348-E572 IonicContact NH1-OE2 2.77Å; R348-E572 PolarHBondContact NH1-OE2 3.41Å; R348-E572 IonicContact NH2-OE2 3.98Å; R348-E572 PolarHBondContact NH2-OE2 3.32Å; R348-I589 HydrophobicContact CB-CD1 4.19Å; R348-I589 HydrophobicContact CG-CD1 3.57Å |
| 349 | L | 84.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 173.3 | -74.7 | 173.6 | 0 | 0 | 0 | 112.1 | I261 N264 I265 L268 L345 C346 N347 L353 I589 | I261-L349 HydrophobicContact CD1-CD2 3.85Å; I261-L349 HydrophobicContact CG2-CB 4.06Å; N264-L349 HydrophobicContact CB-CD1 4.02Å; I265-L349 HydrophobicContact CD1-CB 4.34Å; I265-L349 HydrophobicContact CG1-CB 4.17Å; I265-L349 HydrophobicContact CG1-CD1 3.69Å; L268-L349 HydrophobicContact CD1-CD1 3.63Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.42Å; L345-L349 VanDerWaalsContact O-N 3.12Å; C346-L349 PolarHBondContact O-N 3.2Å; N347-L349 PolarHBondContact O-N 3.03Å; L349-L353 WeakPolarHBondContact O-CB 3.38Å; L349-L353 PolarHBondContact O-N 2.83Å; L349-I589 HydrophobicContact CD2-CB 4.34Å; L349-I589 HydrophobicContact CD2-CD1 4.18Å; L349-I589 HydrophobicContact CD2-CG1 4.14Å; L349-I589 HydrophobicContact CD2-CG2 3.52Å; L349-I589 HydrophobicContact CG-CD1 4.45Å |
| 350 | E | 83.3 | Confident | 82.6 | Confident | 61 Ų | 61 | 27.4 Ų | 27.4 | 29% | 0.285 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.2 | -71.4 | 178 | -177 | 0 | 0 | 111.9 | I265 C346 N347 L353 N354 | I265-E350 HydrophobicContact CD1-CG 3.99Å; C346-E350 WeakPolarHBondContact O-CG 3.41Å; C346-E350 PolarHBondContact O-N 3.21Å; N347-E350 PolarHBondContact O-N 2.89Å; E350-L353 WeakPolarHBondContact O-CB 3.3Å; E350-L353 PolarHBondContact O-N 3.29Å; E350-N354 WeakPolarHBondContact O-CB 3.38Å; E350-N354 PolarHBondContact O-N 3.36Å; E350-N354 PolarHBondContact O-ND2 2.86Å |
| 351 | E | 78.8 | Confident | 83.1 | Confident | 88 Ų | 88 | 23.1 Ų | 23.1 | 41% | 0.411 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.2 | -79.3 | -172.4 | -159.9 | 0 | 0 | 112.1 | N347 R348 L353 N354 Y355 R506 | N347-E351 WeakPolarHBondContact O-CB 3.43Å; N347-E351 WeakPolarHBondContact O-CG 3.37Å; N347-E351 PolarHBondContact O-N 2.92Å; R348-E351 PolarHBondContact O-N 3.48Å; E351-L353 VanDerWaalsContact C-N 3.29Å; E351-L353 PolarHBondContact O-N 3.18Å; E351-N354 PolarHBondContact O-N 3.06Å; E351-Y355 VanDerWaalsContact O-CB 3.32Å; E351-Y355 WeakPolarHBondContact O-CB 3.31Å; E351-Y355 PolarHBondContact O-N 3.37Å; E351-R506 IonicContact OE2-CZ 2.68Å; E351-R506 IonicContact OE2-NH1 3.73Å; E351-R506 IonicContact OE2-NH2 3.74Å; E351-R506 PolarHBondContact OE2-NH2 3.2Å |
| 352 | Y | 82.4 | Confident | 83.7 | Confident | 35 Ų | 35 | 22.1 Ų | 22.1 | 14% | 0.137 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 175.1 | 173.6 | -105.3 | 0 | 0 | 0 | 111.7 | I261 R348 Y355 R356 E374 H410 Y412 | I261-Y352 HydrophobicContact CD1-CD1 3.76Å; I261-Y352 HydrophobicContact CD1-CE1 4.22Å; R348-Y352 WeakPolarHBondContact O-CB 3.31Å; R348-Y352 PolarHBondContact O-N 3.03Å; Y352-Y355 WeakPolarHBondContact O-CB 3.4Å; Y352-Y355 PolarHBondContact O-N 3.07Å; Y352-R356 HydrophobicContact CD1-CG 4.49Å; Y352-R356 HydrophobicContact CE1-CG 4.07Å; Y352-R356 HydrophobicContact CE2-CG 4.1Å; Y352-R356 WeakPolarHBondContact O-CG 3.37Å; Y352-R356 PolarHBondContact O-N 3.42Å; Y352-R356 PolarHBondContact OH-NE 3.3Å; Y352-R356 PolarHBondContact OH-NH2 3.24Å; Y352-E374 PolarHBondContact OH-OE1 3.38Å; Y352-H410 AromaticContact CD2-CD2 3.59Å; Y352-H410 AromaticContact CD2-NE2 3.39Å; Y352-H410 WeakPolarHBondContact CD2-NE2 3.32Å; Y352-H410 AromaticContact CE2-CD2 3.38Å; Y352-H410 WeakPolarHBondContact CE2-CD2 3.16Å; Y352-H410 AromaticContact CE2-CE1 3.33Å; Y352-H410 WeakPolarHBondContact CE2-CE1 3.44Å; Y352-H410 AromaticContact CE2-CG 3.67Å; Y352-H410 AromaticContact CE2-ND1 3.59Å; Y352-H410 AromaticContact CE2-NE2 3.15Å; Y352-H410 WeakPolarHBondContact CE2-NE2 3.32Å; Y352-H410 AromaticContact CZ-CE1 3.67Å; Y352-H410 AromaticContact CZ-NE2 3.87Å; Y352-Y412 WeakPolarHBondContact CE2-OH 3.47Å |
| 353 | L | 86 | Confident | 84.1 | Confident | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 177.1 | 177 | 61.5 | 0 | 0 | 0 | 112.4 | A257 Q258 I261 L349 E350 E351 Y355 R356 Q357 | A257-L353 HydrophobicContact CB-CD1 4.2Å; Q258-L353 HydrophobicContact CB-CD1 4.34Å; Q258-L353 HydrophobicContact CB-CD2 4.35Å; Q258-L353 HydrophobicContact CG-CD1 3.7Å; Q258-L353 HydrophobicContact CG-CD2 3.88Å; Q258-L353 HydrophobicContact CG-CG 4.21Å; I261-L353 HydrophobicContact CB-CD2 4.31Å; I261-L353 HydrophobicContact CG1-CB 4.19Å; I261-L353 HydrophobicContact CG1-CD1 4.28Å; I261-L353 HydrophobicContact CG2-CB 4.24Å; I261-L353 HydrophobicContact CG2-CD2 4.08Å; L349-L353 WeakPolarHBondContact O-CB 3.38Å; L349-L353 PolarHBondContact O-N 2.83Å; E350-L353 WeakPolarHBondContact O-CB 3.3Å; E350-L353 PolarHBondContact O-N 3.29Å; E351-L353 VanDerWaalsContact C-N 3.29Å; E351-L353 PolarHBondContact O-N 3.18Å; L353-Y355 PolarHBondContact O-N 3.01Å; L353-R356 PolarHBondContact O-N 3.39Å; L353-Q357 WeakPolarHBondContact O-CG 3.24Å; L353-Q357 PolarHBondContact O-N 3.38Å |
| 354 | N | 83 | Confident | 84.5 | Confident | 61 Ų | 61 | 21.3 Ų | 21.3 | 33% | 0.326 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 176.4 | -70.7 | -23.2 | 0 | 0 | 0 | 110.5 | E350 E351 Q357 F358 | E350-N354 WeakPolarHBondContact O-CB 3.38Å; E350-N354 PolarHBondContact O-N 3.36Å; E350-N354 PolarHBondContact O-ND2 2.86Å; E351-N354 PolarHBondContact O-N 3.06Å; N354-Q357 WeakPolarHBondContact O-CB 3.17Å; N354-Q357 PolarHBondContact O-N 3.09Å; N354-F358 WeakPolarHBondContact O-CD2 3.45Å; N354-F358 PolarHBondContact O-N 2.99Å; N354-F358 VanDerWaalsContact O-N 3.16Å |
| 355 | Y | 81.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 178.1 | -171 | -108 | 0 | 0 | 0 | 112.4 | E351 Y352 L353 Q357 F358 I359 Y412 L455 Y458 M459 L568 | E351-Y355 VanDerWaalsContact O-CB 3.32Å; E351-Y355 WeakPolarHBondContact O-CB 3.31Å; E351-Y355 PolarHBondContact O-N 3.37Å; Y352-Y355 WeakPolarHBondContact O-CB 3.4Å; Y352-Y355 PolarHBondContact O-N 3.07Å; L353-Y355 PolarHBondContact O-N 3.01Å; Y355-Q357 VanDerWaalsContact C-N 3.33Å; Y355-Q357 PolarHBondContact O-N 3.22Å; Y355-F358 PolarHBondContact O-N 2.84Å; Y355-I359 HydrophobicContact CD1-CD1 4.06Å; Y355-I359 HydrophobicContact CE1-CD1 3.56Å; Y355-I359 HydrophobicContact CE1-CG1 4.39Å; Y355-I359 PolarHBondContact O-N 3.48Å; Y355-I359 VanDerWaalsContact O-N 3.16Å; Y355-Y412 HydrophobicContact CE1-CE2 4.21Å; Y355-L455 HydrophobicContact CD2-CD2 4.11Å; Y355-L455 HydrophobicContact CE2-CD2 4.13Å; Y355-Y458 HydrophobicContact CE2-CE1 4.4Å; Y355-Y458 WeakPolarHBondContact OH-CE1 3.28Å; Y355-M459 HydrophobicContact CD2-CE 4.4Å; Y355-M459 HydrophobicContact CE2-CE 3.93Å; Y355-L568 HydrophobicContact CE1-CD1 4.21Å; Y355-L568 HydrophobicContact CE1-CD2 3.73Å; Y355-L568 HydrophobicContact CE1-CG 4.44Å; Y355-L568 WeakPolarHBondContact OH-CD1 3.41Å; Y355-L568 WeakPolarHBondContact OH-CD2 3.39Å; Y355-L568 WeakPolarHBondContact OH-CG 3.43Å |
| 356 | R | 87 | Confident | 85 | Confident | 34 Ų | 34 | 21.8 Ų | 21.8 | 13% | 0.128 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 173.6 | -75 | -69.1 | -141.3 | 159.6 | 10.4 | 113.3 | Y352 L353 F358 I359 Y360 E374 Y412 | Y352-R356 HydrophobicContact CD1-CG 4.49Å; Y352-R356 HydrophobicContact CE1-CG 4.07Å; Y352-R356 HydrophobicContact CE2-CG 4.1Å; Y352-R356 WeakPolarHBondContact O-CG 3.37Å; Y352-R356 PolarHBondContact O-N 3.42Å; Y352-R356 PolarHBondContact OH-NE 3.3Å; Y352-R356 PolarHBondContact OH-NH2 3.24Å; L353-R356 PolarHBondContact O-N 3.39Å; R356-F358 PolarHBondContact O-N 2.89Å; R356-I359 WeakPolarHBondContact O-CB 3.11Å; R356-I359 PolarHBondContact O-N 3.29Å; R356-Y360 HydrophobicContact CB-CE2 4.42Å; R356-Y360 VanDerWaalsContact O-CD2 3.31Å; R356-Y360 WeakPolarHBondContact O-CD2 3.34Å; R356-Y360 PolarHBondContact O-N 3.3Å; R356-E374 IonicContact CZ-OE1 2.73Å; R356-E374 IonicContact CZ-OE2 3.61Å; R356-E374 IonicContact NH1-OE2 3.99Å; R356-E374 VanDerWaalsContact NH2-CD 3.28Å; R356-E374 IonicContact NH2-OE1 2.85Å; R356-E374 PolarHBondContact NH2-OE1 3.21Å; R356-E374 IonicContact NH2-OE2 3.87Å; R356-E374 PolarHBondContact NH2-OE2 3.42Å; R356-Y412 PolarHBondContact NE-OH 3.01Å |
| 357 | Q | 90 | Very high | 84.9 | Confident | 16 Ų | 16 | 21.8 Ų | 21.8 | 8% | 0.075 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 175.5 | -81.7 | 166.6 | 21.8 | 0 | 0 | 112 | N254 L353 N354 Y355 I359 Y360 E361 I825 F826 | N254-Q357 WeakPolarHBondContact OD1-CG 3.24Å; N254-Q357 PolarHBondContact OD1-NE2 3.49Å; L353-Q357 WeakPolarHBondContact O-CG 3.24Å; L353-Q357 PolarHBondContact O-N 3.38Å; N354-Q357 WeakPolarHBondContact O-CB 3.17Å; N354-Q357 PolarHBondContact O-N 3.09Å; Y355-Q357 VanDerWaalsContact C-N 3.33Å; Y355-Q357 PolarHBondContact O-N 3.22Å; Q357-I359 VanDerWaalsContact C-N 3.31Å; Q357-I359 PolarHBondContact O-N 3.02Å; Q357-Y360 PolarHBondContact O-N 3.28Å; Q357-E361 WeakPolarHBondContact O-CB 3.25Å; Q357-E361 PolarHBondContact O-N 3.27Å; Q357-I825 HydrophobicContact CB-CD1 4.38Å; Q357-I825 WeakPolarHBondContact O-CD1 3.15Å; Q357-F826 HydrophobicContact CB-CE1 4.17Å; Q357-F826 HydrophobicContact CB-CZ 3.97Å |
| 358 | F | 84.9 | Confident | 84.9 | Confident | 19 Ų | 19 | 21.6 Ų | 21.6 | 8% | 0.083 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.9 | -35 | 177.6 | -72.3 | -67.3 | 0 | 0 | 0 | 112.7 | N354 Y355 R356 E361 L362 L455 M459 F826 | N354-F358 WeakPolarHBondContact O-CD2 3.45Å; N354-F358 PolarHBondContact O-N 2.99Å; N354-F358 VanDerWaalsContact O-N 3.16Å; Y355-F358 PolarHBondContact O-N 2.84Å; R356-F358 PolarHBondContact O-N 2.89Å; F358-E361 PolarHBondContact O-N 2.62Å; F358-L362 WeakPolarHBondContact O-CB 3.3Å; F358-L362 WeakPolarHBondContact O-CG 3.49Å; F358-L362 PolarHBondContact O-N 2.79Å; F358-L455 HydrophobicContact CD2-CD1 4.11Å; F358-L455 HydrophobicContact CE2-CD1 3.91Å; F358-M459 HydrophobicContact CB-CE 3.22Å; F358-M459 HydrophobicContact CB-CG 4.45Å; F358-M459 HydrophobicContact CB-SD 4.42Å; F358-M459 HydrophobicContact CG-CE 4.16Å; F358-F826 HydrophobicContact CE1-CZ 4.5Å |
| 359 | I | 89 | Confident | 85.1 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -50.7 | 172 | -73.8 | 171.2 | 0 | 0 | 0 | 110.6 | Y355 R356 Q357 E361 L362 E363 I372 Y412 L568 | Y355-I359 HydrophobicContact CD1-CD1 4.06Å; Y355-I359 HydrophobicContact CE1-CD1 3.56Å; Y355-I359 HydrophobicContact CE1-CG1 4.39Å; Y355-I359 PolarHBondContact O-N 3.48Å; Y355-I359 VanDerWaalsContact O-N 3.16Å; R356-I359 WeakPolarHBondContact O-CB 3.11Å; R356-I359 PolarHBondContact O-N 3.29Å; Q357-I359 VanDerWaalsContact C-N 3.31Å; Q357-I359 PolarHBondContact O-N 3.02Å; I359-E361 VanDerWaalsContact C-N 3.32Å; I359-E361 PolarHBondContact O-N 2.67Å; I359-L362 WeakPolarHBondContact O-CB 3.48Å; I359-L362 PolarHBondContact O-N 2.78Å; I359-E363 HydrophobicContact CG2-CG 4.5Å; I359-E363 WeakPolarHBondContact O-CG 3.37Å; I359-E363 PolarHBondContact O-N 3.15Å; I359-I372 HydrophobicContact CD1-CG2 4.25Å; I359-I372 HydrophobicContact CG1-CD1 4.24Å; I359-I372 HydrophobicContact CG2-CB 3.87Å; I359-I372 HydrophobicContact CG2-CD1 4.07Å; I359-I372 HydrophobicContact CG2-CG1 4.46Å; I359-I372 HydrophobicContact CG2-CG2 4.1Å; I359-Y412 HydrophobicContact CD1-CD1 4.43Å; I359-Y412 HydrophobicContact CD1-CE1 4.22Å; I359-L568 HydrophobicContact CD1-CD2 4.07Å |
| 360 | Y | 91.8 | Very high | 85.2 | Confident | 24 Ų | 24 | 20.7 Ų | 20.7 | 9% | 0.094 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 179.4 | -64.2 | -36.4 | 0 | 0 | 0 | 112.8 | Y250 K253 N254 A257 R356 Q357 E363 L364 | Y250-Y360 HydrophobicContact CD1-CD1 4.36Å; K253-Y360 HydrophobicContact CB-CD1 4.44Å; K253-Y360 HydrophobicContact CB-CD2 4.37Å; K253-Y360 HydrophobicContact CB-CE1 4.11Å; K253-Y360 HydrophobicContact CB-CE2 4.03Å; K253-Y360 HydrophobicContact CD-CD1 4.31Å; K253-Y360 HydrophobicContact CD-CE1 3.89Å; N254-Y360 HydrophobicContact CB-CD2 4.06Å; A257-Y360 HydrophobicContact CB-CE2 4.42Å; R356-Y360 HydrophobicContact CB-CE2 4.42Å; R356-Y360 VanDerWaalsContact O-CD2 3.31Å; R356-Y360 WeakPolarHBondContact O-CD2 3.34Å; R356-Y360 PolarHBondContact O-N 3.3Å; Q357-Y360 PolarHBondContact O-N 3.28Å; Y360-E363 PolarHBondContact O-N 3.03Å; Y360-L364 WeakPolarHBondContact O-CB 3.12Å; Y360-L364 PolarHBondContact O-N 2.81Å |
| 361 | E | 88.7 | Confident | 85.5 | Confident | 10 Ų | 10 | 21.6 Ų | 21.6 | 5% | 0.047 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -45 | 174.3 | -177.8 | 68.7 | -177 | 0 | 0 | 111.4 | Q357 F358 I359 L364 Q365 T824 I825 F826 Y831 | Q357-E361 WeakPolarHBondContact O-CB 3.25Å; Q357-E361 PolarHBondContact O-N 3.27Å; F358-E361 PolarHBondContact O-N 2.62Å; I359-E361 VanDerWaalsContact C-N 3.32Å; I359-E361 PolarHBondContact O-N 2.67Å; E361-L364 PolarHBondContact O-N 3.16Å; E361-Q365 WeakPolarHBondContact O-CB 3.42Å; E361-Q365 VanDerWaalsContact O-CG 3.28Å; E361-Q365 WeakPolarHBondContact O-CG 3.25Å; E361-Q365 PolarHBondContact O-N 2.91Å; E361-Q365 PolarHBondContact OE1-NE2 3.44Å; E361-T824 VanDerWaalsContact CD-OG1 3.31Å; E361-T824 VanDerWaalsContact OE1-CA 3.27Å; E361-T824 WeakPolarHBondContact OE1-CA 3.13Å; E361-T824 WeakPolarHBondContact OE1-CB 3.43Å; E361-T824 PolarHBondContact OE1-OG1 3.2Å; E361-T824 WeakPolarHBondContact OE2-CA 3.37Å; E361-T824 PolarHBondContact OE2-OG1 3.21Å; E361-I825 WeakPolarHBondContact OE2-CG1 3.26Å; E361-I825 PolarHBondContact OE2-N 3.01Å; E361-F826 HydrophobicContact CB-CE2 4.17Å; E361-F826 HydrophobicContact CG-CD2 4.45Å; E361-F826 HydrophobicContact CG-CE2 4.08Å; E361-Y831 WeakPolarHBondContact OE1-CE2 3.33Å |
| 362 | L | 86.8 | Confident | 86.2 | Confident | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63 | -46.4 | 177 | -85.8 | -175.7 | 0 | 0 | 0 | 112.7 | F358 I359 L364 Q365 M366 L370 M459 I462 R463 | F358-L362 WeakPolarHBondContact O-CB 3.3Å; F358-L362 WeakPolarHBondContact O-CG 3.49Å; F358-L362 PolarHBondContact O-N 2.79Å; I359-L362 WeakPolarHBondContact O-CB 3.48Å; I359-L362 PolarHBondContact O-N 2.78Å; L362-L364 VanDerWaalsContact C-N 3.29Å; L362-L364 PolarHBondContact O-N 3.35Å; L362-Q365 PolarHBondContact O-N 3.42Å; L362-M366 WeakPolarHBondContact O-CB 3.37Å; L362-M366 WeakPolarHBondContact O-CG 3.46Å; L362-M366 PolarHBondContact O-N 3.01Å; L362-L370 HydrophobicContact CB-CD2 4.03Å; L362-L370 HydrophobicContact CD1-CD2 4.48Å; L362-M459 HydrophobicContact CD1-CB 3.83Å; L362-M459 HydrophobicContact CD1-CG 3.89Å; L362-M459 HydrophobicContact CD1-SD 3.24Å; L362-M459 WeakPolarHBondContact CD1-SD 3.17Å; L362-M459 HydrophobicContact CD2-CB 4.14Å; L362-M459 HydrophobicContact CG-CB 4.21Å; L362-M459 HydrophobicContact CG-CG 4.34Å; L362-M459 HydrophobicContact CG-SD 4.17Å; L362-I462 HydrophobicContact CD1-CB 4.42Å; L362-I462 HydrophobicContact CD1-CG2 4.22Å; L362-R463 HydrophobicContact CD2-CB 4.41Å |
| 363 | E | 91.2 | Very high | 86.5 | Confident | 9 Ų | 9 | 20.1 Ų | 20.1 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.4 | -69.3 | -172.4 | 127.1 | 0 | 0 | 111.5 | Y250 I359 Y360 M366 F367 E371 I372 | Y250-E363 HydrophobicContact CD1-CB 4.35Å; Y250-E363 HydrophobicContact CE1-CB 3.48Å; Y250-E363 VanDerWaalsContact CE1-CB 3.48Å; Y250-E363 HydrophobicContact CE1-CG 4.42Å; Y250-E363 WeakPolarHBondContact CE1-OE2 3.22Å; I359-E363 HydrophobicContact CG2-CG 4.5Å; I359-E363 WeakPolarHBondContact O-CG 3.37Å; I359-E363 PolarHBondContact O-N 3.15Å; Y360-E363 PolarHBondContact O-N 3.03Å; E363-M366 PolarHBondContact O-N 3.47Å; E363-F367 PolarHBondContact O-N 2.64Å; E363-F367 VanDerWaalsContact O-N 3.14Å; E363-E371 WeakPolarHBondContact OE1-CA 3.16Å; E363-I372 PolarHBondContact OE1-N 3.4Å |
| 364 | L | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -51.4 | 174.1 | 173.1 | 60.7 | 0 | 0 | 0 | 111.1 | K246 K247 Y250 Y360 E361 L362 M366 F367 L823 I825 | K246-L364 HydrophobicContact CB-CD1 4.26Å; K247-L364 HydrophobicContact CG-CD1 4.22Å; K247-L364 HydrophobicContact CG-CD2 4.37Å; Y250-L364 HydrophobicContact CD2-CB 3.68Å; Y250-L364 HydrophobicContact CD2-CD1 3.83Å; Y250-L364 HydrophobicContact CD2-CG 4.27Å; Y250-L364 HydrophobicContact CE2-CB 4.12Å; Y250-L364 HydrophobicContact CE2-CD1 4.35Å; Y250-L364 HydrophobicContact CG-CB 4.01Å; Y360-L364 WeakPolarHBondContact O-CB 3.12Å; Y360-L364 PolarHBondContact O-N 2.81Å; E361-L364 PolarHBondContact O-N 3.16Å; L362-L364 VanDerWaalsContact C-N 3.29Å; L362-L364 PolarHBondContact O-N 3.35Å; L364-M366 VanDerWaalsContact C-N 3.26Å; L364-M366 PolarHBondContact O-N 2.88Å; L364-F367 HydrophobicContact CD1-CE2 4.18Å; L364-F367 WeakPolarHBondContact O-CD2 3.4Å; L364-F367 WeakPolarHBondContact O-CE2 3.44Å; L364-F367 PolarHBondContact O-N 3.25Å; L364-F367 VanDerWaalsContact O-N 3.15Å; L364-L823 HydrophobicContact CD1-CD2 4.35Å; L364-L823 HydrophobicContact CG-CB 4.29Å; L364-I825 HydrophobicContact CD2-CG2 3.99Å |
| 365 | Q | 83.3 | Confident | 87.2 | Confident | 22 Ų | 22 | 21.2 Ų | 21.2 | 10% | 0.103 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.4 | -33.4 | -179.5 | -72.1 | 177.7 | 9.1 | 0 | 0 | 112.4 | E361 L362 L823 | E361-Q365 WeakPolarHBondContact O-CB 3.42Å; E361-Q365 VanDerWaalsContact O-CG 3.28Å; E361-Q365 WeakPolarHBondContact O-CG 3.25Å; E361-Q365 PolarHBondContact O-N 2.91Å; E361-Q365 PolarHBondContact OE1-NE2 3.44Å; L362-Q365 PolarHBondContact O-N 3.42Å; Q365-L823 HydrophobicContact CG-CB 4.28Å |
| 366 | M | 83.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -0.8 | 178.3 | -71.8 | -54.1 | -41.1 | 0 | 0 | 114.4 | L362 E363 L364 G368 Y369 L370 R463 | L362-M366 WeakPolarHBondContact O-CB 3.37Å; L362-M366 WeakPolarHBondContact O-CG 3.46Å; L362-M366 PolarHBondContact O-N 3.01Å; E363-M366 PolarHBondContact O-N 3.47Å; L364-M366 VanDerWaalsContact C-N 3.26Å; L364-M366 PolarHBondContact O-N 2.88Å; M366-G368 PolarHBondContact O-N 3.17Å; M366-Y369 HydrophobicContact CE-CD2 4.46Å; M366-Y369 HydrophobicContact CE-CG 4.23Å; M366-Y369 WeakPolarHBondContact O-CB 3.48Å; M366-Y369 WeakPolarHBondContact O-CD2 3.41Å; M366-Y369 PolarHBondContact O-N 3.43Å; M366-L370 HydrophobicContact CB-CB 3.57Å; M366-L370 HydrophobicContact CG-CB 3.8Å; M366-L370 HydrophobicContact CG-CD2 4.08Å; M366-R463 HydrophobicContact CG-CG 4.07Å; M366-R463 HydrophobicContact SD-CG 3.47Å; M366-R463 WeakPolarHBondContact SD-CG 3.24Å |
| 367 | F | 81.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 40.1 | 174.4 | -102.1 | -104.9 | 0 | 0 | 0 | 115 | N210 L213 L214 I243 K246 E363 L364 L823 | N210-F367 PolarHBondContact ND2-O 2.92Å; L213-F367 HydrophobicContact CB-CD1 4.45Å; L213-F367 HydrophobicContact CD1-CD1 4.46Å; L214-F367 HydrophobicContact CD1-CB 4.16Å; L214-F367 HydrophobicContact CD2-CB 3.83Å; L214-F367 HydrophobicContact CD2-CD2 4Å; L214-F367 HydrophobicContact CD2-CG 4.1Å; L214-F367 HydrophobicContact CG-CB 3.86Å; L214-F367 HydrophobicContact CG-CG 4.35Å; I243-F367 HydrophobicContact CB-CZ 4.17Å; I243-F367 HydrophobicContact CG1-CE1 3.97Å; I243-F367 HydrophobicContact CG1-CZ 3.74Å; I243-F367 HydrophobicContact CG2-CZ 4.16Å; K246-F367 HydrophobicContact CB-CE1 4.28Å; K246-F367 HydrophobicContact CB-CZ 4.03Å; K246-F367 HydrophobicContact CD-CD1 3.64Å; K246-F367 HydrophobicContact CD-CE1 3.48Å; K246-F367 VanDerWaalsContact CD-CE1 3.48Å; K246-F367 HydrophobicContact CD-CE2 4.49Å; K246-F367 HydrophobicContact CD-CG 4.23Å; K246-F367 HydrophobicContact CD-CZ 3.92Å; K246-F367 HydrophobicContact CG-CE1 4Å; K246-F367 HydrophobicContact CG-CZ 4.27Å; K246-F367 PolarHBondContact NZ-O 2.81Å; E363-F367 PolarHBondContact O-N 2.64Å; E363-F367 VanDerWaalsContact O-N 3.14Å; L364-F367 HydrophobicContact CD1-CE2 4.18Å; L364-F367 WeakPolarHBondContact O-CD2 3.4Å; L364-F367 WeakPolarHBondContact O-CE2 3.44Å; L364-F367 PolarHBondContact O-N 3.25Å; L364-F367 VanDerWaalsContact O-N 3.15Å; F367-L823 HydrophobicContact CD2-CD1 3.7Å; F367-L823 HydrophobicContact CE2-CD1 3.46Å; F367-L823 VanDerWaalsContact CE2-CD1 3.46Å; F367-L823 HydrophobicContact CE2-CD2 3.57Å; F367-L823 HydrophobicContact CE2-CG 4.12Å; F367-L823 HydrophobicContact CZ-CD2 4.19Å |
| 368 | G | 79 | Confident | 87.2 | Confident | 18 Ų | 18 | 36.1 Ų | 36.1 | 19% | 0.186 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 8.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | M366 L370 K417 | M366-G368 PolarHBondContact O-N 3.17Å; G368-L370 VanDerWaalsContact C-N 3.3Å; G368-K417 PolarHBondContact O-NZ 3.03Å; G368-K417 VanDerWaalsContact O-NZ 3.17Å |
| 369 | Y | 82.2 | Confident | 87.4 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -73 | -26.8 | 158.5 | -78.9 | -82.5 | 0 | 0 | 0 | 112.4 | L204 N208 N210 L211 L214 M366 K417 V418 | L204-Y369 PolarHBondContact O-OH 2.97Å; N208-Y369 HydrophobicContact CB-CD1 4.04Å; N208-Y369 HydrophobicContact CB-CE1 3.47Å; N208-Y369 VanDerWaalsContact CB-CE1 3.47Å; N208-Y369 HydrophobicContact CB-CE2 4.29Å; N208-Y369 WeakPolarHBondContact ND2-CD1 3.31Å; N208-Y369 WeakPolarHBondContact ND2-CD2 3.46Å; N208-Y369 VanDerWaalsContact ND2-CE1 3.3Å; N208-Y369 WeakPolarHBondContact ND2-CE1 3.22Å; N208-Y369 VanDerWaalsContact ND2-CE2 3.28Å; N208-Y369 WeakPolarHBondContact ND2-CE2 3.3Å; N210-Y369 HydrophobicContact CB-CE2 4.4Å; L211-Y369 WeakPolarHBondContact CB-OH 3.38Å; L214-Y369 HydrophobicContact CD1-CD2 3.79Å; L214-Y369 HydrophobicContact CD1-CE2 3.65Å; M366-Y369 HydrophobicContact CE-CD2 4.46Å; M366-Y369 HydrophobicContact CE-CG 4.23Å; M366-Y369 WeakPolarHBondContact O-CB 3.48Å; M366-Y369 WeakPolarHBondContact O-CD2 3.41Å; M366-Y369 PolarHBondContact O-N 3.43Å; Y369-K417 PolarHBondContact O-N 3.37Å; Y369-V418 HydrophobicContact CD1-CG2 3.22Å; Y369-V418 HydrophobicContact CE1-CG2 3.84Å; Y369-V418 HydrophobicContact CG-CG2 3.89Å |
| 370 | L | 87.2 | Confident | 87.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.5 | 175.6 | -178.9 | 66 | 0 | 0 | 0 | 108.6 | L362 M366 G368 I372 I414 N416 I462 | L362-L370 HydrophobicContact CB-CD2 4.03Å; L362-L370 HydrophobicContact CD1-CD2 4.48Å; M366-L370 HydrophobicContact CB-CB 3.57Å; M366-L370 HydrophobicContact CG-CB 3.8Å; M366-L370 HydrophobicContact CG-CD2 4.08Å; G368-L370 VanDerWaalsContact C-N 3.3Å; L370-I372 HydrophobicContact CD1-CD1 4.5Å; L370-I372 HydrophobicContact CD1-CG1 4.14Å; L370-I372 HydrophobicContact CD2-CD1 4.18Å; L370-I372 HydrophobicContact CD2-CG1 4.47Å; L370-I372 HydrophobicContact CG-CD1 4.38Å; L370-I372 HydrophobicContact CG-CG1 4.12Å; L370-I414 HydrophobicContact CD1-CG2 3.77Å; L370-N416 HydrophobicContact CD1-CB 3.9Å; L370-I462 HydrophobicContact CD1-CG2 3.99Å; L370-I462 HydrophobicContact CD2-CG2 3.88Å |
| 371 | E | 90 | Very high | 87.3 | Confident | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.4 | 169.8 | -171.8 | 179.5 | 179 | 0 | 0 | 107.5 | E363 Q373 N415 | E363-E371 WeakPolarHBondContact OE1-CA 3.16Å; E371-Q373 VanDerWaalsContact CD-NE2 3.3Å; E371-Q373 HydrophobicContact CG-CG 4Å; E371-Q373 PolarHBondContact OE1-NE2 3.19Å; E371-N415 HydrophobicContact CB-CB 4.29Å; E371-N415 PolarHBondContact N-O 2.78Å; E371-N415 VanDerWaalsContact N-O 3.17Å; E371-N415 WeakPolarHBondContact O-CB 3.46Å; E371-N415 PolarHBondContact O-N 2.88Å |
| 372 | I | 92.1 | Very high | 87.5 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 103.3 | -178.5 | -57.7 | 179.8 | 0 | 0 | 0 | 107.1 | I359 E363 L370 Y412 K413 I462 | I359-I372 HydrophobicContact CD1-CG2 4.25Å; I359-I372 HydrophobicContact CG1-CD1 4.24Å; I359-I372 HydrophobicContact CG2-CB 3.87Å; I359-I372 HydrophobicContact CG2-CD1 4.07Å; I359-I372 HydrophobicContact CG2-CG1 4.46Å; I359-I372 HydrophobicContact CG2-CG2 4.1Å; E363-I372 PolarHBondContact OE1-N 3.4Å; L370-I372 HydrophobicContact CD1-CD1 4.5Å; L370-I372 HydrophobicContact CD1-CG1 4.14Å; L370-I372 HydrophobicContact CD2-CD1 4.18Å; L370-I372 HydrophobicContact CD2-CG1 4.47Å; L370-I372 HydrophobicContact CG-CD1 4.38Å; L370-I372 HydrophobicContact CG-CG1 4.12Å; I372-Y412 HydrophobicContact CG2-CD1 4Å; I372-Y412 HydrophobicContact CG2-CG 4.21Å; I372-K413 WeakPolarHBondContact CA-O 3.37Å; I372-I462 HydrophobicContact CD1-CG2 4Å |
| 373 | Q | 90.4 | Very high | 87.6 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 38% | 0.379 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 126.8 | -176.7 | -65.5 | 178.3 | -19.5 | 0 | 0 | 109.4 | E371 Y412 K413 | E371-Q373 VanDerWaalsContact CD-NE2 3.3Å; E371-Q373 HydrophobicContact CG-CG 4Å; E371-Q373 PolarHBondContact OE1-NE2 3.19Å; Q373-Y412 CarbonylContact O-C 3.59Å; Q373-Y412 VanDerWaalsContact O-CA 3.28Å; Q373-Y412 WeakPolarHBondContact O-CA 3.4Å; Q373-K413 PolarHBondContact N-O 3.16Å; Q373-K413 PolarHBondContact O-N 3.05Å |
| 374 | E | 90.6 | Very high | 87.6 | Confident | 74 Ų | 74 | 54.3 Ų | 54.3 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 136.8 | 168.6 | -167.2 | 178.2 | -142.7 | 0 | 0 | 109.4 | Y352 R356 H410 L411 Y412 | Y352-E374 PolarHBondContact OH-OE1 3.38Å; R356-E374 IonicContact CZ-OE1 2.73Å; R356-E374 IonicContact CZ-OE2 3.61Å; R356-E374 IonicContact NH1-OE2 3.99Å; R356-E374 VanDerWaalsContact NH2-CD 3.28Å; R356-E374 IonicContact NH2-OE1 2.85Å; R356-E374 PolarHBondContact NH2-OE1 3.21Å; R356-E374 IonicContact NH2-OE2 3.87Å; R356-E374 PolarHBondContact NH2-OE2 3.42Å; E374-H410 IonicContact OE1-CE1 2.79Å; E374-H410 IonicContact OE1-CG 2.87Å; E374-H410 IonicContact OE1-ND1 3.85Å; E374-H410 PolarHBondContact OE1-ND1 3.14Å; E374-L411 WeakPolarHBondContact CA-O 3.31Å; E374-Y412 HydrophobicContact CB-CD1 3.74Å; E374-Y412 HydrophobicContact CB-CE1 3.65Å; E374-Y412 HydrophobicContact CG-CD1 4.1Å; E374-Y412 HydrophobicContact CG-CE1 3.78Å |
| 375 | I | 91.5 | Very high | 87.6 | Confident | 20 Ų | 20 | 55 Ų | 55 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 130.1 | 179.8 | -57.9 | -59.6 | 0 | 0 | 0 | 108.5 | D379 L381 L411 K413 | I375-D379 HydrophobicContact CG2-CB 3.61Å; I375-L381 HydrophobicContact CG2-CB 4.21Å; I375-L411 HydrophobicContact CB-CB 4.32Å; I375-L411 HydrophobicContact CB-CD2 4.04Å; I375-L411 HydrophobicContact CB-CG 4.05Å; I375-L411 HydrophobicContact CG1-CD2 4.24Å; I375-L411 HydrophobicContact CG1-CG 4.05Å; I375-L411 HydrophobicContact CG2-CD2 4.14Å; I375-L411 PolarHBondContact N-O 3.25Å; I375-K413 HydrophobicContact CD1-CB 4.03Å; I375-K413 HydrophobicContact CG1-CB 4.35Å |
| 376 | D | 86.7 | Confident | 88 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 54% | 0.54 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 143.1 | 176.2 | -168 | -48.7 | 0 | 0 | 0 | 109.8 | K378 D379 | D376-K378 PolarHBondContact O-N 3.03Å; D376-K378 VanDerWaalsContact O-N 3.09Å; D376-K378 WeakPolarHBondContact OD1-CB 3.48Å; D376-K378 PolarHBondContact OD1-N 3.42Å; D376-D379 WeakPolarHBondContact O-CB 3.43Å; D376-D379 PolarHBondContact O-N 3.3Å |
| 377 | I | 85.5 | Confident | 88.3 | Confident | 81 Ų | 81 | 63.4 Ų | 63.4 | 42% | 0.415 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.5 | 177.2 | -58.5 | 165.8 | 0 | 0 | 0 | 111.6 | D379 Y382 E590 | I377-D379 VanDerWaalsContact C-N 3.33Å; I377-Y382 HydrophobicContact CG1-CE2 4.12Å; I377-Y382 HydrophobicContact CG2-CD1 4.26Å; I377-Y382 HydrophobicContact CG2-CE1 4Å; I377-E590 VanDerWaalsContact CD1-OE2 3.3Å; I377-E590 WeakPolarHBondContact CD1-OE2 3.36Å |
| 378 | K | 87.1 | Confident | 88.7 | Confident | 183 Ų | 183 | 65.3 Ų | 65.3 | 80% | 0.796 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10.7 | 176.8 | -63.9 | 176.3 | -176.3 | 170 | 0 | 114.1 | D376 | D376-K378 PolarHBondContact O-N 3.03Å; D376-K378 VanDerWaalsContact O-N 3.09Å; D376-K378 WeakPolarHBondContact OD1-CB 3.48Å; D376-K378 PolarHBondContact OD1-N 3.42Å |
| 379 | D | 89.9 | Confident | 89.2 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 36% | 0.358 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74.3 | 138.9 | 178.6 | -161.2 | -55.5 | 0 | 0 | 0 | 110.1 | I375 D376 I377 L381 Y382 | I375-D379 HydrophobicContact CG2-CB 3.61Å; D376-D379 WeakPolarHBondContact O-CB 3.43Å; D376-D379 PolarHBondContact O-N 3.3Å; I377-D379 VanDerWaalsContact C-N 3.33Å; D379-L381 PolarHBondContact O-N 2.97Å; D379-L381 WeakPolarHBondContact OD1-CB 3.37Å; D379-L381 PolarHBondContact OD1-N 3.39Å; D379-Y382 VanDerWaalsContact O-CB 3.32Å; D379-Y382 WeakPolarHBondContact O-CB 3.36Å; D379-Y382 PolarHBondContact O-N 2.86Å |
| 380 | D | 90.2 | Very high | 89.5 | Confident | 123 Ų | 123 | 67.5 Ų | 67.5 | 66% | 0.658 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.7 | -33.4 | 178.8 | -66.3 | -34.2 | 0 | 0 | 0 | 111.4 | Y382 N383 D384 | D380-Y382 PolarHBondContact O-N 3.21Å; D380-N383 PolarHBondContact O-N 3.06Å; D380-N383 VanDerWaalsContact O-N 3.14Å; D380-D384 PolarHBondContact O-N 3.11Å |
| 381 | L | 88.5 | Confident | 89.3 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58 | -31.8 | 175.6 | -84.3 | 156.4 | 0 | 0 | 0 | 113.2 | I375 D379 C385 | I375-L381 HydrophobicContact CG2-CB 4.21Å; D379-L381 PolarHBondContact O-N 2.97Å; D379-L381 WeakPolarHBondContact OD1-CB 3.37Å; D379-L381 PolarHBondContact OD1-N 3.39Å; L381-C385 WeakPolarHBondContact O-CB 3.31Å; L381-C385 PolarHBondContact O-N 3.49Å |
| 382 | Y | 91.5 | Very high | 89.1 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67 | -46.7 | 177.4 | -176.8 | -84.7 | 0 | 0 | 0 | 111 | I377 D379 D380 C385 Y386 I408 L411 | I377-Y382 HydrophobicContact CG1-CE2 4.12Å; I377-Y382 HydrophobicContact CG2-CD1 4.26Å; I377-Y382 HydrophobicContact CG2-CE1 4Å; D379-Y382 VanDerWaalsContact O-CB 3.32Å; D379-Y382 WeakPolarHBondContact O-CB 3.36Å; D379-Y382 PolarHBondContact O-N 2.86Å; D380-Y382 PolarHBondContact O-N 3.21Å; Y382-C385 PolarHBondContact O-N 3.08Å; Y382-Y386 PolarHBondContact O-N 3.06Å; Y382-I408 HydrophobicContact CD2-CG2 4.36Å; Y382-I408 HydrophobicContact CE2-CB 3.97Å; Y382-I408 HydrophobicContact CE2-CG2 3.52Å; Y382-I408 WeakPolarHBondContact OH-CB 3.45Å; Y382-I408 PolarHBondContact OH-O 3Å; Y382-L411 HydrophobicContact CD2-CB 4.09Å; Y382-L411 HydrophobicContact CD2-CD2 4.19Å; Y382-L411 HydrophobicContact CE2-CB 4.46Å |
| 383 | N | 90 | Very high | 88.9 | Confident | 79 Ų | 79 | 69 Ų | 69 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 178 | -69.8 | -40.7 | 0 | 0 | 0 | 111.8 | D380 Y386 Q387 | D380-N383 PolarHBondContact O-N 3.06Å; D380-N383 VanDerWaalsContact O-N 3.14Å; N383-Y386 WeakPolarHBondContact O-CB 3.39Å; N383-Y386 PolarHBondContact O-N 3.3Å; N383-Q387 WeakPolarHBondContact O-CG 3.24Å; N383-Q387 PolarHBondContact O-N 3.26Å |
| 384 | D | 89.7 | Confident | 88.8 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 175.1 | -70.7 | -17.4 | 0 | 0 | 0 | 111.3 | D380 Q387 F388 | D380-D384 PolarHBondContact O-N 3.11Å; D384-Q387 PolarHBondContact O-N 3.4Å; D384-F388 WeakPolarHBondContact O-CB 3.48Å; D384-F388 PolarHBondContact O-N 3.1Å |
| 385 | C | 90.4 | Very high | 88.5 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 10% | 0.101 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 177.1 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | L381 Y382 F388 L389 I408 L411 | L381-C385 WeakPolarHBondContact O-CB 3.31Å; L381-C385 PolarHBondContact O-N 3.49Å; Y382-C385 PolarHBondContact O-N 3.08Å; C385-F388 PolarHBondContact O-N 3.3Å; C385-L389 WeakPolarHBondContact O-CG 3.3Å; C385-L389 PolarHBondContact O-N 3.17Å; C385-I408 HydrophobicContact CB-CD1 4.24Å; C385-L411 HydrophobicContact CB-CD1 4.32Å; C385-L411 HydrophobicContact CB-CD2 3.77Å |
| 386 | Y | 91.4 | Very high | 88 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.8 | -52.5 | 175.2 | 175.4 | -85.4 | 0 | 0 | 0 | 111.4 | Y382 N383 F388 L389 E390 I406 | Y382-Y386 PolarHBondContact O-N 3.06Å; N383-Y386 WeakPolarHBondContact O-CB 3.39Å; N383-Y386 PolarHBondContact O-N 3.3Å; Y386-F388 VanDerWaalsContact C-N 3.27Å; Y386-F388 PolarHBondContact O-N 3.1Å; Y386-L389 PolarHBondContact O-N 2.9Å; Y386-E390 HydrophobicContact CD1-CG 4.48Å; Y386-E390 HydrophobicContact CE1-CG 3.89Å; Y386-E390 WeakPolarHBondContact CE1-OE2 3.32Å; Y386-E390 VanDerWaalsContact CZ-OE1 3.32Å; Y386-E390 PolarHBondContact O-N 3.37Å; Y386-E390 PolarHBondContact OH-OE1 3.44Å; Y386-I406 WeakPolarHBondContact CE2-O 3.44Å |
| 387 | Q | 89.2 | Confident | 87.4 | Confident | 129 Ų | 129 | 68.3 Ų | 68.3 | 60% | 0.603 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 179 | -70 | -178.1 | 2.9 | 0 | 0 | 111.6 | N383 D384 S391 | N383-Q387 WeakPolarHBondContact O-CG 3.24Å; N383-Q387 PolarHBondContact O-N 3.26Å; D384-Q387 PolarHBondContact O-N 3.4Å; Q387-S391 WeakPolarHBondContact O-CB 3.32Å; Q387-S391 PolarHBondContact O-N 3.47Å |
| 388 | F | 89.3 | Confident | 86.8 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 18% | 0.18 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -50.7 | 174.9 | 179.2 | -99.8 | 0 | 0 | 0 | 111.8 | D384 C385 Y386 E390 S391 R392 Y443 F445 L509 | D384-F388 WeakPolarHBondContact O-CB 3.48Å; D384-F388 PolarHBondContact O-N 3.1Å; C385-F388 PolarHBondContact O-N 3.3Å; Y386-F388 VanDerWaalsContact C-N 3.27Å; Y386-F388 PolarHBondContact O-N 3.1Å; F388-E390 PolarHBondContact O-N 2.81Å; F388-S391 PolarHBondContact O-N 3.01Å; F388-S391 PolarHBondContact O-OG 3.38Å; F388-R392 HydrophobicContact CE1-CG 4.26Å; F388-R392 HydrophobicContact CE2-CG 4.29Å; F388-R392 HydrophobicContact CZ-CG 4.04Å; F388-R392 WeakPolarHBondContact O-CG 3.49Å; F388-R392 PolarHBondContact O-N 3.16Å; F388-Y443 HydrophobicContact CE1-CD2 4.4Å; F388-Y443 HydrophobicContact CE2-CD2 4.36Å; F388-Y443 HydrophobicContact CZ-CD2 4.03Å; F388-Y443 HydrophobicContact CZ-CG 4.35Å; F388-F445 HydrophobicContact CD1-CZ 4.36Å; F388-F445 AromaticContact CE1-CE1 3.88Å; F388-F445 HydrophobicContact CE1-CE1 3.88Å; F388-F445 AromaticContact CE1-CZ 3.61Å; F388-F445 HydrophobicContact CE1-CZ 3.61Å; F388-F445 HydrophobicContact CZ-CZ 4.34Å; F388-L509 HydrophobicContact CD1-CD2 4.32Å; F388-L509 HydrophobicContact CE1-CD2 4.21Å |
| 389 | L | 90.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 179.2 | -69.4 | 173.8 | 0 | 0 | 0 | 112.2 | C385 Y386 S391 R392 F393 I408 F445 L507 V569 I571 | C385-L389 WeakPolarHBondContact O-CG 3.3Å; C385-L389 PolarHBondContact O-N 3.17Å; Y386-L389 PolarHBondContact O-N 2.9Å; L389-S391 VanDerWaalsContact C-N 3.31Å; L389-S391 PolarHBondContact O-N 3.48Å; L389-R392 PolarHBondContact O-N 2.95Å; L389-R392 VanDerWaalsContact O-N 3.15Å; L389-F393 PolarHBondContact O-N 3.3Å; L389-I408 HydrophobicContact CD1-CD1 3.84Å; L389-I408 HydrophobicContact CD1-CG1 3.89Å; L389-F445 HydrophobicContact CD2-CD1 4.47Å; L389-F445 HydrophobicContact CD2-CE1 3.52Å; L389-F445 HydrophobicContact CD2-CZ 3.89Å; L389-L507 HydrophobicContact CD2-CD1 4.2Å; L389-V569 HydrophobicContact CD1-CG1 3.88Å; L389-I571 HydrophobicContact CD1-CG2 3.82Å |
| 390 | E | 87.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 174.5 | -83.3 | -160.2 | 154.4 | 0 | 0 | 111.9 | Y386 F388 R392 F393 | Y386-E390 HydrophobicContact CD1-CG 4.48Å; Y386-E390 HydrophobicContact CE1-CG 3.89Å; Y386-E390 WeakPolarHBondContact CE1-OE2 3.32Å; Y386-E390 VanDerWaalsContact CZ-OE1 3.32Å; Y386-E390 PolarHBondContact O-N 3.37Å; Y386-E390 PolarHBondContact OH-OE1 3.44Å; F388-E390 PolarHBondContact O-N 2.81Å; E390-R392 PolarHBondContact O-N 3.24Å; E390-F393 PolarHBondContact O-N 3.09Å |
| 391 | S | 84.4 | Confident | 85.3 | Confident | 70 Ų | 70 | 58 Ų | 58 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -22.3 | 179.3 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | Q387 F388 L389 | Q387-S391 WeakPolarHBondContact O-CB 3.32Å; Q387-S391 PolarHBondContact O-N 3.47Å; F388-S391 PolarHBondContact O-N 3.01Å; F388-S391 PolarHBondContact O-OG 3.38Å; L389-S391 VanDerWaalsContact C-N 3.31Å; L389-S391 PolarHBondContact O-N 3.48Å |
| 392 | R | 85.6 | Confident | 84.8 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 1.7 | -177.8 | -58.6 | -53.6 | 175.1 | 120.4 | 6.1 | 113.8 | F388 L389 E390 D442 F445 N476 L478 | F388-R392 HydrophobicContact CE1-CG 4.26Å; F388-R392 HydrophobicContact CE2-CG 4.29Å; F388-R392 HydrophobicContact CZ-CG 4.04Å; F388-R392 WeakPolarHBondContact O-CG 3.49Å; F388-R392 PolarHBondContact O-N 3.16Å; L389-R392 PolarHBondContact O-N 2.95Å; L389-R392 VanDerWaalsContact O-N 3.15Å; E390-R392 PolarHBondContact O-N 3.24Å; R392-D442 IonicContact CZ-OD1 2.69Å; R392-D442 IonicContact CZ-OD2 2.59Å; R392-D442 IonicContact NH1-OD1 3.59Å; R392-D442 PolarHBondContact NH1-OD1 3.33Å; R392-D442 IonicContact NH1-OD2 3.49Å; R392-D442 PolarHBondContact NH1-OD2 3Å; R392-D442 IonicContact NH2-OD1 3.54Å; R392-D442 PolarHBondContact NH2-OD1 3.09Å; R392-D442 IonicContact NH2-OD2 2.75Å; R392-F445 HydrophobicContact CB-CE2 3.77Å; R392-F445 HydrophobicContact CB-CZ 3.95Å; R392-F445 HydrophobicContact CG-CE2 4.14Å; R392-F445 HydrophobicContact CG-CZ 4.08Å; R392-N476 WeakPolarHBondContact CD-O 3.46Å; R392-N476 PolarHBondContact NH1-ND2 3.35Å; R392-L478 PolarHBondContact O-N 3.04Å |
| 393 | F | 87.8 | Confident | 84.5 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | trans | -104 | 130.3 | 175.3 | -168.3 | -95.5 | 0 | 0 | 0 | 111.6 | L389 E390 Y395 I403 I406 L478 N479 L486 Y573 | L389-F393 PolarHBondContact O-N 3.3Å; E390-F393 PolarHBondContact O-N 3.09Å; F393-Y395 AromaticContact CD1-CD1 3.72Å; F393-Y395 HydrophobicContact CD1-CD1 3.72Å; F393-Y395 HydrophobicContact CD1-CD2 4.08Å; F393-Y395 AromaticContact CD1-CE1 3.6Å; F393-Y395 HydrophobicContact CD1-CE1 3.6Å; F393-Y395 AromaticContact CD1-CE2 3.97Å; F393-Y395 HydrophobicContact CD1-CE2 3.97Å; F393-Y395 AromaticContact CD1-CG 3.97Å; F393-Y395 HydrophobicContact CD1-CG 3.97Å; F393-Y395 AromaticContact CD1-CZ 3.74Å; F393-Y395 AromaticContact CE1-CD1 3.68Å; F393-Y395 HydrophobicContact CE1-CD1 3.68Å; F393-Y395 AromaticContact CE1-CE1 3.79Å; F393-Y395 HydrophobicContact CE1-CE1 3.79Å; F393-Y395 HydrophobicContact CE1-CG 4.21Å; F393-I403 HydrophobicContact CE1-CB 4.21Å; F393-I403 HydrophobicContact CE1-CD1 4.3Å; F393-I403 HydrophobicContact CE1-CG2 4.13Å; F393-I403 HydrophobicContact CE2-CD1 4.38Å; F393-I403 HydrophobicContact CZ-CB 4.34Å; F393-I403 HydrophobicContact CZ-CD1 3.57Å; F393-I403 HydrophobicContact CZ-CG2 4.36Å; F393-I406 HydrophobicContact CB-CD1 3.64Å; F393-I406 HydrophobicContact CD1-CD1 4.48Å; F393-I406 HydrophobicContact CD2-CD1 4.18Å; F393-I406 HydrophobicContact CG-CD1 3.85Å; F393-L478 HydrophobicContact CB-CB 4.47Å; F393-L478 HydrophobicContact CB-CD2 4.33Å; F393-L478 HydrophobicContact CD2-CB 4.13Å; F393-L478 HydrophobicContact CD2-CD2 3.93Å; F393-L478 HydrophobicContact CD2-CG 4.03Å; F393-N479 WeakPolarHBondContact CA-OD1 3.17Å; F393-N479 WeakPolarHBondContact CD2-OD1 3.49Å; F393-L486 HydrophobicContact CE2-CD1 4.23Å; F393-L486 HydrophobicContact CE2-CD2 4.44Å; F393-Y573 HydrophobicContact CD2-CE1 4.01Å; F393-Y573 HydrophobicContact CE2-CD1 4.22Å; F393-Y573 AromaticContact CE2-CE1 3.59Å; F393-Y573 HydrophobicContact CE2-CE1 3.59Å; F393-Y573 HydrophobicContact CZ-CD1 4.44Å; F393-Y573 HydrophobicContact CZ-CE1 4.25Å | ||
| 394 | C | 86.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | trans | -96.4 | 102.7 | 178.2 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | H396 D397 N479 C548 | C394-H396 PolarHBondContact O-N 3.35Å; C394-D397 HydrophobicContact CB-CB 4.42Å; C394-N479 PolarHBondContact N-OD1 3.31Å; C394-N479 PolarHBondContact O-ND2 3.42Å; C394-C548 HydrophobicContact CB-CB 4.14Å | ||
| 395 | Y | 85.4 | Confident | 84 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.4 | 174.7 | -63.3 | -81 | 0 | 0 | 0 | 114.2 | F393 G400 S401 I403 | F393-Y395 AromaticContact CD1-CD1 3.72Å; F393-Y395 HydrophobicContact CD1-CD1 3.72Å; F393-Y395 HydrophobicContact CD1-CD2 4.08Å; F393-Y395 AromaticContact CD1-CE1 3.6Å; F393-Y395 HydrophobicContact CD1-CE1 3.6Å; F393-Y395 AromaticContact CD1-CE2 3.97Å; F393-Y395 HydrophobicContact CD1-CE2 3.97Å; F393-Y395 AromaticContact CD1-CG 3.97Å; F393-Y395 HydrophobicContact CD1-CG 3.97Å; F393-Y395 AromaticContact CD1-CZ 3.74Å; F393-Y395 AromaticContact CE1-CD1 3.68Å; F393-Y395 HydrophobicContact CE1-CD1 3.68Å; F393-Y395 AromaticContact CE1-CE1 3.79Å; F393-Y395 HydrophobicContact CE1-CE1 3.79Å; F393-Y395 HydrophobicContact CE1-CG 4.21Å; Y395-G400 CarbonylContact O-C 3.6Å; Y395-S401 WeakPolarHBondContact O-CA 3.22Å; Y395-S401 PolarHBondContact O-N 2.83Å; Y395-I403 WeakPolarHBondContact CD1-O 3.45Å; Y395-I403 HydrophobicContact CE1-CG2 4.09Å |
| 396 | H | 80.5 | Confident | 83.9 | Confident | 142 Ų | 142 | 53.8 Ų | 53.8 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -10.1 | 178.7 | -55.3 | 112.1 | 0 | 0 | 0 | 113.5 | C394 C546 C548 | C394-H396 PolarHBondContact O-N 3.35Å; H396-C546 VanDerWaalsContact CB-SG 3.54Å; H396-C548 PolarHBondContact ND1-SG 3.08Å |
| 397 | D | 74 | Confident | 83.7 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -63.8 | 151 | 172.3 | -170.1 | 16.1 | 0 | 0 | 0 | 110.1 | C394 I399 G400 S401 N479 | C394-D397 HydrophobicContact CB-CB 4.42Å; D397-I399 VanDerWaalsContact C-N 3.3Å; D397-I399 PolarHBondContact O-N 3.22Å; D397-G400 CarbonylContact O-C 3.52Å; D397-G400 WeakPolarHBondContact O-CA 3.3Å; D397-G400 PolarHBondContact O-N 3.26Å; D397-S401 WeakPolarHBondContact O-CB 3.37Å; D397-S401 PolarHBondContact O-N 3.23Å; D397-N479 PolarHBondContact OD2-ND2 2.85Å |
| 398 | E | 73.6 | Confident | 83.7 | Confident | 154 Ų | 154 | 46.6 Ų | 46.6 | 72% | 0.72 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -46.1 | -172.6 | -167.9 | 176.6 | -175.1 | 0 | 0 | 110.8 | S401 | E398-S401 PolarHBondContact O-OG 2.84Š|
| 399 | I | 75.6 | Confident | 83.5 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -40.7 | 174.7 | -55.4 | 169.4 | 0 | 0 | 0 | 111.3 | D397 S401 M402 L486 Q487 H490 | D397-I399 VanDerWaalsContact C-N 3.3Å; D397-I399 PolarHBondContact O-N 3.22Å; I399-S401 PolarHBondContact O-N 2.99Å; I399-M402 PolarHBondContact O-N 3.46Å; I399-L486 HydrophobicContact CG2-CB 3.89Å; I399-L486 HydrophobicContact CG2-CD2 4.3Å; I399-Q487 HydrophobicContact CD1-CG 3.87Å; I399-H490 HydrophobicContact CG1-CB 4.27Å; I399-H490 HydrophobicContact CG2-CB 4.1Å |
| 400 | G | 78.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -63 | -27 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y395 D397 M402 I403 | Y395-G400 CarbonylContact O-C 3.6Å; D397-G400 CarbonylContact O-C 3.52Å; D397-G400 WeakPolarHBondContact O-CA 3.3Å; D397-G400 PolarHBondContact O-N 3.26Å; G400-M402 PolarHBondContact O-N 2.73Å; G400-I403 PolarHBondContact O-N 2.9Å |
| 401 | S | 80.2 | Confident | 83.6 | Confident | 54 Ų | 54 | 42.6 Ų | 42.6 | 38% | 0.378 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -64.1 | -21.2 | -178.6 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | Y395 D397 E398 I399 K576 | Y395-S401 WeakPolarHBondContact O-CA 3.22Å; Y395-S401 PolarHBondContact O-N 2.83Å; D397-S401 WeakPolarHBondContact O-CB 3.37Å; D397-S401 PolarHBondContact O-N 3.23Å; E398-S401 PolarHBondContact O-OG 2.84Å; I399-S401 PolarHBondContact O-N 2.99Å; S401-K576 WeakPolarHBondContact O-CD 3.35Å; S401-K576 WeakPolarHBondContact O-CE 3.37Å; S401-K576 PolarHBondContact O-NZ 3.05Å |
| 402 | M | 79.4 | Confident | 84 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -82.4 | -18.7 | 176.1 | -58.3 | -171 | -177.9 | 0 | 0 | 113 | I399 G400 H490 I493 K576 | I399-M402 PolarHBondContact O-N 3.46Å; G400-M402 PolarHBondContact O-N 2.73Å; M402-H490 VanDerWaalsContact CE-CD2 3.42Å; M402-H490 WeakPolarHBondContact CE-CD2 3.4Å; M402-H490 VanDerWaalsContact CE-NE2 3.33Å; M402-H490 WeakPolarHBondContact CE-NE2 3.42Å; M402-I493 HydrophobicContact SD-CD1 4.12Å; M402-I493 HydrophobicContact SD-CG2 4.29Å; M402-K576 PolarHBondContact O-N 3.02Å |
| 403 | I | 84.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.1 | -176.9 | -64.6 | 164.9 | 0 | 0 | 0 | 108.9 | F393 Y395 G400 G405 L486 Y573 L574 L575 K576 | F393-I403 HydrophobicContact CE1-CB 4.21Å; F393-I403 HydrophobicContact CE1-CD1 4.3Å; F393-I403 HydrophobicContact CE1-CG2 4.13Å; F393-I403 HydrophobicContact CE2-CD1 4.38Å; F393-I403 HydrophobicContact CZ-CB 4.34Å; F393-I403 HydrophobicContact CZ-CD1 3.57Å; F393-I403 HydrophobicContact CZ-CG2 4.36Å; Y395-I403 WeakPolarHBondContact CD1-O 3.45Å; Y395-I403 HydrophobicContact CE1-CG2 4.09Å; G400-I403 PolarHBondContact O-N 2.9Å; I403-G405 WeakPolarHBondContact CG2-O 3.44Å; I403-L486 HydrophobicContact CD1-CD2 3.54Å; I403-Y573 HydrophobicContact CD1-CD1 3.83Å; I403-Y573 HydrophobicContact CD1-CG 4.07Å; I403-Y573 HydrophobicContact CG2-CD1 4.21Å; I403-L574 CarbonylContact C-O 3.48Å; I403-L574 WeakPolarHBondContact CA-O 3.48Å; I403-L575 HydrophobicContact CG1-CD2 4.09Å; I403-K576 WeakPolarHBondContact O-CE 3.34Å |
| 404 | N | 83.5 | Confident | 84.6 | Confident | 111 Ų | 111 | 39.7 Ų | 39.7 | 59% | 0.594 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -25.9 | 178.6 | -167.1 | 48.7 | 0 | 0 | 0 | 112.8 | L574 K576 | N404-L574 PolarHBondContact N-O 3.04Å; N404-K576 HydrophobicContact CB-CG 3.76Å |
| 405 | G | 85.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177 | 173.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I403 L574 | I403-G405 WeakPolarHBondContact CG2-O 3.44Å; G405-L574 PolarHBondContact O-N 3.34Å |
| 406 | I | 88.6 | Confident | 84.8 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.5 | 176.1 | -62 | 164.4 | 0 | 0 | 0 | 107.6 | Y386 F393 L478 I571 Y573 | Y386-I406 WeakPolarHBondContact CE2-O 3.44Å; F393-I406 HydrophobicContact CB-CD1 3.64Å; F393-I406 HydrophobicContact CD1-CD1 4.48Å; F393-I406 HydrophobicContact CD2-CD1 4.18Å; F393-I406 HydrophobicContact CG-CD1 3.85Å; I406-L478 HydrophobicContact CD1-CD2 3.59Å; I406-I571 HydrophobicContact CG2-CB 3.91Å; I406-I571 HydrophobicContact CG2-CD1 4.07Å; I406-I571 HydrophobicContact CG2-CG2 4.03Å; I406-Y573 HydrophobicContact CG1-CD1 4.14Å; I406-Y573 HydrophobicContact CG1-CE1 4.22Å |
| 407 | K | 86.6 | Confident | 84.9 | Confident | 54 Ų | 54 | 35 Ų | 35 | 24% | 0.235 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.8 | 171.5 | -175.6 | 179.5 | -174.3 | 171.7 | 0 | 109.2 | L409 I571 E572 L574 D588 | K407-L409 HydrophobicContact CD-CD2 4.01Å; K407-L409 HydrophobicContact CG-CD2 4.18Å; K407-I571 CarbonylContact O-C 3.54Å; K407-I571 VanDerWaalsContact O-CA 3.28Å; K407-I571 WeakPolarHBondContact O-CA 3.35Å; K407-E572 HydrophobicContact CB-CB 4.41Å; K407-E572 PolarHBondContact N-O 3.49Å; K407-E572 PolarHBondContact O-N 2.8Å; K407-L574 HydrophobicContact CB-CD1 4.3Å; K407-L574 HydrophobicContact CB-CD2 4.24Å; K407-L574 HydrophobicContact CB-CG 4.25Å; K407-D588 IonicContact NZ-OD1 2.71Å; K407-D588 PolarHBondContact NZ-OD1 2.83Å; K407-D588 IonicContact NZ-OD2 3.34Å; K407-D588 PolarHBondContact NZ-OD2 2.98Å |
| 408 | I | 90 | Very high | 85.1 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.7 | 166 | -61.9 | 177.6 | 0 | 0 | 0 | 107.2 | Y382 C385 L389 L411 V569 I571 | Y382-I408 HydrophobicContact CD2-CG2 4.36Å; Y382-I408 HydrophobicContact CE2-CB 3.97Å; Y382-I408 HydrophobicContact CE2-CG2 3.52Å; Y382-I408 WeakPolarHBondContact OH-CB 3.45Å; Y382-I408 PolarHBondContact OH-O 3Å; C385-I408 HydrophobicContact CB-CD1 4.24Å; L389-I408 HydrophobicContact CD1-CD1 3.84Å; L389-I408 HydrophobicContact CD1-CG1 3.89Å; I408-L411 HydrophobicContact CG2-CB 4.14Å; I408-V569 HydrophobicContact CD1-CG1 4.43Å; I408-V569 HydrophobicContact CG1-CG1 4.19Å; I408-V569 HydrophobicContact CG2-CG1 3.97Å; I408-I571 HydrophobicContact CG1-CG2 4.28Å |
| 409 | L | 85.7 | Confident | 85.3 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -52.2 | 174.5 | -59 | 179.7 | 0 | 0 | 0 | 109.6 | R348 K407 V504 E570 E572 | R348-L409 VanDerWaalsContact CZ-CD1 3.44Å; R348-L409 VanDerWaalsContact NH2-CD1 3.25Å; K407-L409 HydrophobicContact CD-CD2 4.01Å; K407-L409 HydrophobicContact CG-CD2 4.18Å; L409-V504 HydrophobicContact CD1-CG1 4.04Å; L409-V504 HydrophobicContact CD1-CG2 3.96Å; L409-E570 HydrophobicContact CB-CB 4.24Å; L409-E570 PolarHBondContact N-O 2.95Å; L409-E572 HydrophobicContact CD1-CB 4.12Å; L409-E572 HydrophobicContact CD2-CB 4.17Å; L409-E572 HydrophobicContact CG-CB 4.19Å |
| 410 | H | 87.8 | Confident | 85.3 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 6% | 0.06 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.7 | 178.4 | -59.6 | -71.5 | 0 | 0 | 0 | 109.7 | Y352 E374 Y412 V569 E570 E590 | Y352-H410 AromaticContact CD2-CD2 3.59Å; Y352-H410 AromaticContact CD2-NE2 3.39Å; Y352-H410 WeakPolarHBondContact CD2-NE2 3.32Å; Y352-H410 AromaticContact CE2-CD2 3.38Å; Y352-H410 WeakPolarHBondContact CE2-CD2 3.16Å; Y352-H410 AromaticContact CE2-CE1 3.33Å; Y352-H410 WeakPolarHBondContact CE2-CE1 3.44Å; Y352-H410 AromaticContact CE2-CG 3.67Å; Y352-H410 AromaticContact CE2-ND1 3.59Å; Y352-H410 AromaticContact CE2-NE2 3.15Å; Y352-H410 WeakPolarHBondContact CE2-NE2 3.32Å; Y352-H410 AromaticContact CZ-CE1 3.67Å; Y352-H410 AromaticContact CZ-NE2 3.87Å; E374-H410 IonicContact OE1-CE1 2.79Å; E374-H410 IonicContact OE1-CG 2.87Å; E374-H410 IonicContact OE1-ND1 3.85Å; E374-H410 PolarHBondContact OE1-ND1 3.14Å; H410-Y412 HydrophobicContact CB-CD2 4.13Å; H410-Y412 HydrophobicContact CB-CE2 3.35Å; H410-V569 WeakPolarHBondContact O-CA 3.43Å; H410-E570 HydrophobicContact CB-CB 4.36Å; H410-E570 HydrophobicContact CB-CG 4.47Å; H410-E570 IonicContact CD2-OE2 3.89Å; H410-E570 PolarHBondContact CD2-OE2 2.93Å; H410-E570 VanDerWaalsContact CD2-OE2 3.23Å; H410-E570 IonicContact CG-OE2 3.19Å; H410-E570 PolarHBondContact N-O 2.99Å; H410-E570 PolarHBondContact O-N 3.29Å; H410-E590 IonicContact CE1-OE1 3.04Å; H410-E590 PolarHBondContact CE1-OE1 2.85Å; H410-E590 IonicContact ND1-OE1 3.98Å |
| 411 | L | 92.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.8 | 174.3 | 174.9 | 61.3 | 0 | 0 | 0 | 108.8 | E374 I375 Y382 C385 I408 F567 V569 | E374-L411 WeakPolarHBondContact CA-O 3.31Å; I375-L411 HydrophobicContact CB-CB 4.32Å; I375-L411 HydrophobicContact CB-CD2 4.04Å; I375-L411 HydrophobicContact CB-CG 4.05Å; I375-L411 HydrophobicContact CG1-CD2 4.24Å; I375-L411 HydrophobicContact CG1-CG 4.05Å; I375-L411 HydrophobicContact CG2-CD2 4.14Å; I375-L411 PolarHBondContact N-O 3.25Å; Y382-L411 HydrophobicContact CD2-CB 4.09Å; Y382-L411 HydrophobicContact CD2-CD2 4.19Å; Y382-L411 HydrophobicContact CE2-CB 4.46Å; C385-L411 HydrophobicContact CB-CD1 4.32Å; C385-L411 HydrophobicContact CB-CD2 3.77Å; I408-L411 HydrophobicContact CG2-CB 4.14Å; L411-F567 HydrophobicContact CD1-CB 4.38Å; L411-F567 HydrophobicContact CD1-CD1 4.19Å; L411-V569 HydrophobicContact CD1-CG2 3.69Å |
| 412 | Y | 92.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.2 | 179.2 | -59.9 | -89.5 | 0 | 0 | 0 | 110.6 | Y352 Y355 R356 I359 I372 Q373 E374 H410 F567 L568 | Y352-Y412 WeakPolarHBondContact CE2-OH 3.47Å; Y355-Y412 HydrophobicContact CE1-CE2 4.21Å; R356-Y412 PolarHBondContact NE-OH 3.01Å; I359-Y412 HydrophobicContact CD1-CD1 4.43Å; I359-Y412 HydrophobicContact CD1-CE1 4.22Å; I372-Y412 HydrophobicContact CG2-CD1 4Å; I372-Y412 HydrophobicContact CG2-CG 4.21Å; Q373-Y412 CarbonylContact O-C 3.59Å; Q373-Y412 VanDerWaalsContact O-CA 3.28Å; Q373-Y412 WeakPolarHBondContact O-CA 3.4Å; E374-Y412 HydrophobicContact CB-CD1 3.74Å; E374-Y412 HydrophobicContact CB-CE1 3.65Å; E374-Y412 HydrophobicContact CG-CD1 4.1Å; E374-Y412 HydrophobicContact CG-CE1 3.78Å; H410-Y412 HydrophobicContact CB-CD2 4.13Å; H410-Y412 HydrophobicContact CB-CE2 3.35Å; Y412-F567 CarbonylContact O-C 3.31Å; Y412-F567 VanDerWaalsContact O-CA 3.27Å; Y412-F567 WeakPolarHBondContact O-CA 3.42Å; Y412-L568 HydrophobicContact CD2-CD2 3.45Å; Y412-L568 VanDerWaalsContact CD2-CD2 3.45Å; Y412-L568 HydrophobicContact CD2-CG 3.66Å; Y412-L568 HydrophobicContact CE2-CD2 4.14Å; Y412-L568 HydrophobicContact CE2-CG 4.49Å; Y412-L568 HydrophobicContact CG-CD2 3.71Å; Y412-L568 HydrophobicContact CG-CG 4.19Å; Y412-L568 PolarHBondContact N-O 3.24Å; Y412-L568 PolarHBondContact O-N 2.95Å |
| 413 | K | 93.6 | Very high | 83.8 | Confident | 61 Ų | 61 | 24.1 Ų | 24.1 | 27% | 0.265 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.3 | 169.6 | -174.6 | 172.1 | -176.4 | 170.1 | 0 | 110.3 | I372 Q373 I375 F567 | I372-K413 WeakPolarHBondContact CA-O 3.37Å; Q373-K413 PolarHBondContact N-O 3.16Å; Q373-K413 PolarHBondContact O-N 3.05Å; I375-K413 HydrophobicContact CD1-CB 4.03Å; I375-K413 HydrophobicContact CG1-CB 4.35Å; K413-F567 HydrophobicContact CB-CD1 4.17Å; K413-F567 HydrophobicContact CB-CE1 4.05Å; K413-F567 HydrophobicContact CD-CE1 4.25Å; K413-F567 HydrophobicContact CG-CD1 4.36Å; K413-F567 HydrophobicContact CG-CE1 3.93Å |
| 414 | I | 92 | Very high | 82.9 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 109.1 | -178.7 | -55.9 | 171.3 | 0 | 0 | 0 | 108.8 | L370 N416 I462 P565 E566 L568 | L370-I414 HydrophobicContact CD1-CG2 3.77Å; I414-N416 HydrophobicContact CG2-CB 4.39Å; I414-N416 PolarHBondContact O-N 2.99Å; I414-I462 HydrophobicContact CD1-CD1 4.27Å; I414-I462 HydrophobicContact CD1-CG1 4.17Å; I414-I462 HydrophobicContact CG2-CG2 4.18Å; I414-P565 HydrophobicContact CD1-CB 4.09Å; I414-E566 WeakPolarHBondContact CB-O 3.45Å; I414-E566 PolarHBondContact N-O 3.39Å; I414-L568 HydrophobicContact CD1-CB 4.05Å; I414-L568 HydrophobicContact CG1-CB 4.42Å |
| 415 | N | 88.7 | Confident | 82 | Confident | 31 Ų | 31 | 26.7 Ų | 26.7 | 17% | 0.166 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 78.3 | 175.1 | -64.9 | -41.5 | 0 | 0 | 0 | 109.8 | E371 | E371-N415 HydrophobicContact CB-CB 4.29Å; E371-N415 PolarHBondContact N-O 2.78Å; E371-N415 VanDerWaalsContact N-O 3.17Å; E371-N415 WeakPolarHBondContact O-CB 3.46Å; E371-N415 PolarHBondContact O-N 2.88Å |
| 416 | N | 87.3 | Confident | 80.8 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 98.9 | 172.9 | -170.1 | -34.1 | 0 | 0 | 0 | 110.5 | L370 I414 V418 L419 Q420 I462 R463 | L370-N416 HydrophobicContact CD1-CB 3.9Å; I414-N416 HydrophobicContact CG2-CB 4.39Å; I414-N416 PolarHBondContact O-N 2.99Å; N416-V418 PolarHBondContact O-N 2.81Å; N416-V418 WeakPolarHBondContact OD1-CB 3.33Å; N416-V418 PolarHBondContact OD1-N 3.21Å; N416-V418 VanDerWaalsContact OD1-N 3.17Å; N416-L419 HydrophobicContact CB-CB 4.22Å; N416-L419 HydrophobicContact CB-CD1 4.18Å; N416-L419 HydrophobicContact CB-CG 4.32Å; N416-L419 VanDerWaalsContact ND2-CD1 3.34Å; N416-L419 WeakPolarHBondContact ND2-CD1 3.42Å; N416-L419 PolarHBondContact O-N 3.17Å; N416-L419 PolarHBondContact OD1-N 3.25Å; N416-Q420 WeakPolarHBondContact O-CB 3.43Å; N416-Q420 VanDerWaalsContact O-CG 3.27Å; N416-Q420 WeakPolarHBondContact O-CG 3.08Å; N416-Q420 PolarHBondContact O-N 3.31Å; N416-I462 PolarHBondContact ND2-O 3.27Å; N416-R463 PolarHBondContact ND2-O 3.2Å; N416-R463 VanDerWaalsContact ND2-O 3.11Å |
| 417 | K | 82 | Confident | 79.4 | Confident | 75 Ų | 75 | 31.3 Ų | 31.3 | 33% | 0.326 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.7 | -29.8 | -175.4 | -67.1 | 175.4 | -175.3 | 159.4 | 0 | 113.3 | G368 Y369 Q421 | G368-K417 PolarHBondContact O-NZ 3.03Å; G368-K417 VanDerWaalsContact O-NZ 3.17Å; Y369-K417 PolarHBondContact O-N 3.37Å; K417-Q421 VanDerWaalsContact O-CG 3.24Å; K417-Q421 WeakPolarHBondContact O-CG 3.28Å; K417-Q421 PolarHBondContact O-N 2.86Å |
| 418 | V | 78.2 | Confident | 78 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.2 | -52.2 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | W175 L204 Y369 N416 Q420 Q421 N422 | W175-V418 WeakPolarHBondContact O-CG1 3.42Å; L204-V418 HydrophobicContact CD2-CG1 4.06Å; L204-V418 HydrophobicContact CD2-CG2 4.36Å; Y369-V418 HydrophobicContact CD1-CG2 3.22Å; Y369-V418 HydrophobicContact CE1-CG2 3.84Å; Y369-V418 HydrophobicContact CG-CG2 3.89Å; N416-V418 PolarHBondContact O-N 2.81Å; N416-V418 WeakPolarHBondContact OD1-CB 3.33Å; N416-V418 PolarHBondContact OD1-N 3.21Å; N416-V418 VanDerWaalsContact OD1-N 3.17Å; V418-Q420 PolarHBondContact O-N 2.79Å; V418-Q421 PolarHBondContact O-N 3.17Å; V418-N422 PolarHBondContact O-N 2.88Å |
| 419 | L | 78 | Confident | 76.2 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.8 | -39.6 | -178.7 | -63.3 | 179.5 | 0 | 0 | 0 | 112.1 | W175 N416 Q421 N422 H423 P565 | W175-L419 HydrophobicContact CE3-CD2 4.39Å; W175-L419 HydrophobicContact CZ3-CD2 3.96Å; N416-L419 HydrophobicContact CB-CB 4.22Å; N416-L419 HydrophobicContact CB-CD1 4.18Å; N416-L419 HydrophobicContact CB-CG 4.32Å; N416-L419 VanDerWaalsContact ND2-CD1 3.34Å; N416-L419 WeakPolarHBondContact ND2-CD1 3.42Å; N416-L419 PolarHBondContact O-N 3.17Å; N416-L419 PolarHBondContact OD1-N 3.25Å; L419-Q421 VanDerWaalsContact C-N 3.27Å; L419-Q421 PolarHBondContact O-N 3.32Å; L419-N422 PolarHBondContact O-N 3.02Å; L419-H423 WeakPolarHBondContact O-CB 3.41Å; L419-H423 PolarHBondContact O-N 3Å; L419-P565 HydrophobicContact CD1-CG 4.03Å |
| 420 | Q | 75.5 | Confident | 74.5 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 28% | 0.276 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.1 | -39.7 | 176.5 | -76.2 | 174.6 | 0.1 | 0 | 0 | 112.2 | N416 V418 N424 Y564 | N416-Q420 WeakPolarHBondContact O-CB 3.43Å; N416-Q420 VanDerWaalsContact O-CG 3.27Å; N416-Q420 WeakPolarHBondContact O-CG 3.08Å; N416-Q420 PolarHBondContact O-N 3.31Å; V418-Q420 PolarHBondContact O-N 2.79Å; Q420-N424 WeakPolarHBondContact O-CB 3.37Å; Q420-N424 PolarHBondContact O-N 3.21Å; Q420-N424 PolarHBondContact O-ND2 3.33Å; Q420-N424 VanDerWaalsContact O-ND2 3.09Å; Q420-Y564 HydrophobicContact CG-CE2 4.48Å |
| 421 | Q | 70.9 | Confident | 72.6 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.8 | -44.1 | 179.2 | -72 | 173.1 | 17.7 | 0 | 0 | 112.4 | P203 N206 N207 K417 V418 L419 H423 N424 H425 | P203-Q421 PolarHBondContact O-OE1 3.4Å; N206-Q421 PolarHBondContact O-NE2 2.9Å; N207-Q421 PolarHBondContact ND2-NE2 3.06Å; N207-Q421 VanDerWaalsContact ND2-NE2 3.13Å; K417-Q421 VanDerWaalsContact O-CG 3.24Å; K417-Q421 WeakPolarHBondContact O-CG 3.28Å; K417-Q421 PolarHBondContact O-N 2.86Å; V418-Q421 PolarHBondContact O-N 3.17Å; L419-Q421 VanDerWaalsContact C-N 3.27Å; L419-Q421 PolarHBondContact O-N 3.32Å; Q421-H423 VanDerWaalsContact C-N 3.29Å; Q421-H423 PolarHBondContact O-N 3.5Å; Q421-N424 PolarHBondContact O-N 3.17Å; Q421-H425 PolarHBondContact O-CD2 3.15Å; Q421-H425 PolarHBondContact O-N 2.84Å |
| 422 | N | 68.3 | Low | 70.3 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.4 | -48.4 | 172.8 | -75.4 | -4.2 | 0 | 0 | 0 | 111.1 | W175 P203 V418 L419 N424 H425 N426 | W175-N422 WeakPolarHBondContact CB-ND2 3.43Å; W175-N422 VanDerWaalsContact CB-OD1 3.25Å; W175-N422 WeakPolarHBondContact CB-OD1 3.45Å; P203-N422 WeakPolarHBondContact CB-OD1 3.44Å; V418-N422 PolarHBondContact O-N 2.88Å; L419-N422 PolarHBondContact O-N 3.02Å; N422-N424 VanDerWaalsContact C-N 3.31Å; N422-N424 PolarHBondContact O-N 2.82Å; N422-H425 PolarHBondContact O-N 3.01Å; N422-N426 PolarHBondContact O-N 3.09Å; N422-N426 PolarHBondContact O-ND2 3.02Å |
| 423 | H | 67.6 | Low | 68.1 | Low | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.8 | -168.4 | -50.7 | 0 | 0 | 0 | 112 | L419 Q421 N426 K427 S513 L562 Y564 | L419-H423 WeakPolarHBondContact O-CB 3.41Å; L419-H423 PolarHBondContact O-N 3Å; Q421-H423 VanDerWaalsContact C-N 3.29Å; Q421-H423 PolarHBondContact O-N 3.5Å; H423-N426 PolarHBondContact O-N 3.06Å; H423-K427 WeakPolarHBondContact CE1-CE 3.43Å; H423-K427 PolarHBondContact CE1-NZ 2.78Å; H423-K427 PolarHBondContact O-N 3.13Å; H423-S513 PolarHBondContact CE1-OG 3.14Å; H423-L562 PolarHBondContact NE2-O 3.11Å; H423-Y564 HydrophobicContact CB-CD1 4.38Å; H423-Y564 AromaticContact CD2-CD1 3.03Å; H423-Y564 WeakPolarHBondContact CD2-CD1 3.49Å; H423-Y564 AromaticContact CD2-CE1 3.55Å; H423-Y564 AromaticContact CD2-CG 3.95Å; H423-Y564 AromaticContact CG-CD1 3.79Å; H423-Y564 AromaticContact NE2-CD1 3.61Å; H423-Y564 AromaticContact NE2-CE1 3.86Å |
| 424 | N | 66.4 | Low | 65.6 | Low | 91 Ų | 91 | 58.8 Ų | 58.8 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 178.2 | -74.8 | -29.5 | 0 | 0 | 0 | 112.7 | Q420 Q421 N422 K428 | Q420-N424 WeakPolarHBondContact O-CB 3.37Å; Q420-N424 PolarHBondContact O-N 3.21Å; Q420-N424 PolarHBondContact O-ND2 3.33Å; Q420-N424 VanDerWaalsContact O-ND2 3.09Å; Q421-N424 PolarHBondContact O-N 3.17Å; N422-N424 VanDerWaalsContact C-N 3.31Å; N422-N424 PolarHBondContact O-N 2.82Å; N424-K428 PolarHBondContact O-N 3.4Å |
| 425 | H | 64 | Low | 63.1 | Low | 79 Ų | 79 | 63.3 Ų | 63.3 | 37% | 0.366 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -50.4 | 172.3 | -92.2 | -77.5 | 0 | 0 | 0 | 111.1 | Q421 N422 K427 K428 D429 | Q421-H425 PolarHBondContact O-CD2 3.15Å; Q421-H425 PolarHBondContact O-N 2.84Å; N422-H425 PolarHBondContact O-N 3.01Å; H425-K427 VanDerWaalsContact C-N 3.3Å; H425-K427 PolarHBondContact O-N 3.46Å; H425-K428 WeakPolarHBondContact O-CB 3.37Å; H425-K428 PolarHBondContact O-N 2.96Å; H425-D429 PolarHBondContact O-N 3.33Å |
| 426 | N | 61.1 | Low | 60.8 | Low | 36 Ų | 36 | 70.8 Ų | 70.8 | 19% | 0.193 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 179.9 | -61.9 | -35.2 | 0 | 0 | 0 | 112.5 | N422 H423 K428 D429 V430 K561 L562 | N422-N426 PolarHBondContact O-N 3.09Å; N422-N426 PolarHBondContact O-ND2 3.02Å; H423-N426 PolarHBondContact O-N 3.06Å; N426-K428 VanDerWaalsContact C-N 3.3Å; N426-K428 PolarHBondContact O-N 3.27Å; N426-D429 PolarHBondContact O-N 2.86Å; N426-V430 WeakPolarHBondContact O-CG2 3.3Å; N426-V430 PolarHBondContact O-N 3.45Å; N426-K561 WeakPolarHBondContact ND2-CB 3.33Å; N426-K561 PolarHBondContact ND2-O 2.96Å; N426-K561 VanDerWaalsContact ND2-O 3.11Å; N426-L562 HydrophobicContact CB-CD2 4.12Å |
| 427 | K | 59.7 | Low | 58.5 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 30% | 0.296 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59 | -38 | 173.1 | -88.9 | 176.6 | 163 | 150.9 | 0 | 112.9 | H423 H425 S431 S513 L562 | H423-K427 WeakPolarHBondContact CE1-CE 3.43Å; H423-K427 PolarHBondContact CE1-NZ 2.78Å; H423-K427 PolarHBondContact O-N 3.13Å; H425-K427 VanDerWaalsContact C-N 3.3Å; H425-K427 PolarHBondContact O-N 3.46Å; K427-S431 PolarHBondContact O-N 3.23Å; K427-S513 WeakPolarHBondContact CE-OG 3.33Å; K427-L562 HydrophobicContact CG-CD2 4.4Å |
| 428 | K | 56.1 | Low | 56.8 | Low | 135 Ų | 135 | 72.7 Ų | 72.7 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.7 | -40.8 | 179.6 | -72.7 | 178.5 | 180 | 178.7 | 0 | 111.9 | N424 H425 N426 V430 S431 N432 | N424-K428 PolarHBondContact O-N 3.4Å; H425-K428 WeakPolarHBondContact O-CB 3.37Å; H425-K428 PolarHBondContact O-N 2.96Å; N426-K428 VanDerWaalsContact C-N 3.3Å; N426-K428 PolarHBondContact O-N 3.27Å; K428-V430 VanDerWaalsContact C-N 3.3Å; K428-V430 PolarHBondContact O-N 2.87Å; K428-S431 WeakPolarHBondContact CA-OG 3.22Å; K428-S431 PolarHBondContact O-N 3.46Å; K428-S431 PolarHBondContact O-OG 3.13Å; K428-N432 PolarHBondContact O-N 3.41Å |
| 429 | D | 52.1 | Low | 55.3 | Low | 102 Ų | 102 | 76.5 Ų | 76.5 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 179.5 | -67.6 | -26 | 0 | 0 | 0 | 111.6 | H425 N426 N432 | H425-D429 PolarHBondContact O-N 3.33Å; N426-D429 PolarHBondContact O-N 2.86Å; D429-N432 PolarHBondContact O-N 2.87Å |
| 430 | V | 49.3 | Very low | 54.3 | Low | 63 Ų | 63 | 81.8 Ų | 81.8 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | N426 K428 N432 V433 | N426-V430 WeakPolarHBondContact O-CG2 3.3Å; N426-V430 PolarHBondContact O-N 3.45Å; K428-V430 VanDerWaalsContact C-N 3.3Å; K428-V430 PolarHBondContact O-N 2.87Å; V430-N432 PolarHBondContact O-N 3.22Å; V430-V433 WeakPolarHBondContact O-CB 3.45Å; V430-V433 PolarHBondContact O-N 3.33Å; V430-V433 VanDerWaalsContact O-N 3.13Å |
| 431 | S | 48 | Very low | 53.8 | Low | 78 Ų | 78 | 82.2 Ų | 82.2 | 55% | 0.545 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.4 | -17.4 | 179.8 | 68.2 | 0 | 0 | 0 | 0 | 114.7 | K427 K428 V433 | K427-S431 PolarHBondContact O-N 3.23Å; K428-S431 WeakPolarHBondContact CA-OG 3.22Å; K428-S431 PolarHBondContact O-N 3.46Å; K428-S431 PolarHBondContact O-OG 3.13Å; S431-V433 VanDerWaalsContact C-N 3.34Å |
| 432 | N | 46 | Very low | 54.2 | Low | 134 Ų | 134 | 81.9 Ų | 81.9 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -14.3 | 175.3 | -76.3 | -20.1 | 0 | 0 | 0 | 113 | K428 D429 V430 S434 | K428-N432 PolarHBondContact O-N 3.41Å; D429-N432 PolarHBondContact O-N 2.87Å; V430-N432 PolarHBondContact O-N 3.22Å; N432-S434 PolarHBondContact O-N 2.97Å |
| 433 | V | 46.2 | Very low | 55 | Low | 93 Ų | 93 | 83 Ų | 83 | 56% | 0.564 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -70.7 | 126.6 | 163.7 | -173.6 | 0 | 0 | 0 | 0 | 106.4 | V430 S431 I435 | V430-V433 WeakPolarHBondContact O-CB 3.45Å; V430-V433 PolarHBondContact O-N 3.33Å; V430-V433 VanDerWaalsContact O-N 3.13Å; S431-V433 VanDerWaalsContact C-N 3.34Å; V433-I435 PolarHBondContact O-N 3.23Å |
| 434 | S | 41 | Very low | 55.8 | Low | 115 Ų | 115 | 82.9 Ų | 82.9 | 80% | 0.804 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -64.3 | 49.5 | -162.3 | 56 | 0 | 0 | 0 | 0 | 116.8 | N432 | N432-S434 PolarHBondContact O-N 2.97Š|
| 435 | I | 39.5 | Very low | 56.8 | Low | 95 Ų | 95 | 78.6 Ų | 78.6 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | trans | -128.3 | 105.7 | 177 | -49.9 | 179.1 | 0 | 0 | 0 | 106.6 | V433 S437 | V433-I435 PolarHBondContact O-N 3.23Å; I435-S437 WeakPolarHBondContact CG2-OG 3.25Å; I435-S437 PolarHBondContact O-N 3.38Å | ||
| 436 | K | 38.8 | Very low | 57.7 | Low | 189 Ų | 189 | 75.2 Ų | 75.2 | 82% | 0.822 | 41% | 0.412 | S | S | * | . | trans | -69.2 | 47.8 | 168.6 | -70.4 | -179.7 | 175.8 | 174 | 0 | 111 | I1525 | K436-I1525 VanDerWaalsContact NZ-CD1 3.35Š| ||
| 437 | S | 40 | Very low | 58.8 | Low | 34 Ų | 34 | 74.9 Ų | 74.9 | 24% | 0.238 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 124.6 | 175.4 | 49.9 | 0 | 0 | 0 | 0 | 109 | I435 T439 I516 | I435-S437 WeakPolarHBondContact CG2-OG 3.25Å; I435-S437 PolarHBondContact O-N 3.38Å; S437-T439 PolarHBondContact O-N 2.97Å; S437-I516 WeakPolarHBondContact CB-O 3.14Å |
| 438 | S | 46 | Very low | 59.4 | Low | 83 Ų | 83 | 72 Ų | 72 | 58% | 0.58 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 133.5 | 164.3 | 39.9 | 0 | 0 | 0 | 0 | 109.2 | I516 | S438-I516 VanDerWaalsContact O-CB 3.26Å; S438-I516 WeakPolarHBondContact O-CB 3.33Å; S438-I516 WeakPolarHBondContact O-CD1 3.37Å; S438-I516 WeakPolarHBondContact O-CG1 3.28Å; S438-I516 PolarHBondContact O-N 3.42Å; S438-I516 WeakPolarHBondContact OG-CD1 3.45Å |
| 439 | T | 47.9 | Very low | 59.8 | Low | 91 Ų | 91 | 67.9 Ų | 67.9 | 56% | 0.558 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.7 | 173.8 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | S437 M514 | S437-T439 PolarHBondContact O-N 2.97Å; T439-M514 CarbonylContact C-O 3.55Å; T439-M514 VanDerWaalsContact CA-O 3.23Å; T439-M514 WeakPolarHBondContact CA-O 3.41Å |
| 440 | F | 56.2 | Low | 60.2 | Low | 126 Ų | 126 | 67.8 Ų | 67.8 | 55% | 0.553 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 141.9 | 168 | -173.8 | -95.7 | 0 | 0 | 0 | 109.2 | D442 M514 I516 | F440-D442 HydrophobicContact CD1-CB 4.39Å; F440-D442 HydrophobicContact CE1-CB 4.08Å; F440-M514 PolarHBondContact N-O 2.89Å; F440-M514 PolarHBondContact O-N 3.48Å; F440-I516 HydrophobicContact CB-CG1 4.46Å |
| 441 | S | 65.7 | Low | 60.7 | Low | 67 Ų | 67 | 71.6 Ų | 71.6 | 47% | 0.469 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.4 | 172.9 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | V512 | S441-V512 CarbonylContact C-O 3.53Å; S441-V512 VanDerWaalsContact CA-O 3.29Å; S441-V512 WeakPolarHBondContact CA-O 3.46Å |
| 442 | D | 77.9 | Confident | 61 | Low | 15 Ų | 15 | 72.2 Ų | 72.2 | 8% | 0.08 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 171.7 | 171.4 | -158.8 | 9.2 | 0 | 0 | 0 | 109.9 | R392 F440 N476 V512 | R392-D442 IonicContact CZ-OD1 2.69Å; R392-D442 IonicContact CZ-OD2 2.59Å; R392-D442 IonicContact NH1-OD1 3.59Å; R392-D442 PolarHBondContact NH1-OD1 3.33Å; R392-D442 IonicContact NH1-OD2 3.49Å; R392-D442 PolarHBondContact NH1-OD2 3Å; R392-D442 IonicContact NH2-OD1 3.54Å; R392-D442 PolarHBondContact NH2-OD1 3.09Å; R392-D442 IonicContact NH2-OD2 2.75Å; F440-D442 HydrophobicContact CD1-CB 4.39Å; F440-D442 HydrophobicContact CE1-CB 4.08Å; D442-N476 PolarHBondContact OD2-ND2 3.11Å; D442-V512 PolarHBondContact N-O 3.4Å; D442-V512 PolarHBondContact O-N 3.12Å |
| 443 | Y | 85.7 | Confident | 61.4 | Low | 45 Ų | 45 | 70.9 Ų | 70.9 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.3 | 174.4 | -66 | -89.5 | 0 | 0 | 0 | 112.2 | F388 N476 L509 M510 N511 E566 F567 | F388-Y443 HydrophobicContact CE1-CD2 4.4Å; F388-Y443 HydrophobicContact CE2-CD2 4.36Å; F388-Y443 HydrophobicContact CZ-CD2 4.03Å; F388-Y443 HydrophobicContact CZ-CG 4.35Å; Y443-N476 WeakPolarHBondContact O-CB 3.43Å; Y443-L509 HydrophobicContact CD1-CB 3.89Å; Y443-L509 HydrophobicContact CG-CB 4.41Å; Y443-M510 WeakPolarHBondContact CA-O 3.1Å; Y443-N511 HydrophobicContact CD1-CB 4.04Å; Y443-N511 HydrophobicContact CE1-CB 3.65Å; Y443-E566 HydrophobicContact CE1-CB 4.22Å; Y443-E566 PolarHBondContact OH-OE2 2.96Å; Y443-F567 HydrophobicContact CE1-CD2 4.05Å; Y443-F567 HydrophobicContact CE1-CE2 4.16Å |
| 444 | L | 84.7 | Confident | 62.1 | Low | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.1 | 167.4 | -55.8 | -175.8 | 0 | 0 | 0 | 110.1 | L474 N476 M510 V512 P555 L557 L563 | L444-L474 HydrophobicContact CB-CB 4.47Å; L444-L474 HydrophobicContact CB-CD2 4.33Å; L444-L474 HydrophobicContact CD1-CB 4.19Å; L444-N476 HydrophobicContact CD2-CB 3.9Å; L444-M510 HydrophobicContact CB-CB 4.47Å; L444-M510 PolarHBondContact N-O 2.88Å; L444-M510 PolarHBondContact O-N 3.31Å; L444-V512 HydrophobicContact CD1-CG2 3.81Å; L444-V512 HydrophobicContact CG-CG2 3.73Å; L444-P555 HydrophobicContact CD1-CG 4.14Å; L444-P555 HydrophobicContact CD2-CG 3.77Å; L444-L557 HydrophobicContact CD1-CD1 4.08Å; L444-L563 HydrophobicContact CD1-CD2 4.01Å |
| 445 | F | 86.6 | Confident | 63.2 | Low | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.3 | 176.6 | -55.2 | -63.9 | 0 | 0 | 0 | 110.8 | F388 L389 R392 T475 N476 L478 A481 L507 V508 L509 | F388-F445 HydrophobicContact CD1-CZ 4.36Å; F388-F445 AromaticContact CE1-CE1 3.88Å; F388-F445 HydrophobicContact CE1-CE1 3.88Å; F388-F445 AromaticContact CE1-CZ 3.61Å; F388-F445 HydrophobicContact CE1-CZ 3.61Å; F388-F445 HydrophobicContact CZ-CZ 4.34Å; L389-F445 HydrophobicContact CD2-CD1 4.47Å; L389-F445 HydrophobicContact CD2-CE1 3.52Å; L389-F445 HydrophobicContact CD2-CZ 3.89Å; R392-F445 HydrophobicContact CB-CE2 3.77Å; R392-F445 HydrophobicContact CB-CZ 3.95Å; R392-F445 HydrophobicContact CG-CE2 4.14Å; R392-F445 HydrophobicContact CG-CZ 4.08Å; F445-T475 WeakPolarHBondContact CD2-O 3.27Å; F445-T475 PolarHBondContact N-O 2.71Å; F445-N476 WeakPolarHBondContact CE2-O 3.23Å; F445-L478 HydrophobicContact CD2-CB 4.44Å; F445-L478 HydrophobicContact CE2-CB 4.21Å; F445-A481 HydrophobicContact CB-CB 3.64Å; F445-A481 HydrophobicContact CD2-CB 4.49Å; F445-A481 HydrophobicContact CG-CB 4.46Å; F445-L507 HydrophobicContact CD1-CD1 4.43Å; F445-V508 WeakPolarHBondContact CA-O 3.22Å; F445-L509 HydrophobicContact CD1-CD1 3.79Å; F445-L509 HydrophobicContact CD1-CG 3.9Å; F445-L509 HydrophobicContact CE1-CD1 3.93Å; F445-L509 HydrophobicContact CE1-CD2 4.22Å; F445-L509 HydrophobicContact CE1-CG 3.8Å |
| 446 | L | 84.2 | Confident | 64.5 | Low | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.7 | 162.9 | -179 | 71 | 0 | 0 | 0 | 108.6 | I461 L466 Y472 L474 L507 V508 | L446-I461 HydrophobicContact CD2-CD1 3.47Å; L446-I461 VanDerWaalsContact CD2-CD1 3.47Å; L446-I461 HydrophobicContact CD2-CG2 4.38Å; L446-L466 HydrophobicContact CD2-CD1 4.45Å; L446-Y472 HydrophobicContact CD1-CD1 4.07Å; L446-Y472 HydrophobicContact CD1-CG 4.15Å; L446-L474 HydrophobicContact CB-CD2 3.88Å; L446-L474 HydrophobicContact CD1-CD2 4.2Å; L446-L507 CarbonylContact O-C 3.54Å; L446-L507 WeakPolarHBondContact O-CA 3.31Å; L446-V508 HydrophobicContact CB-CB 4.06Å; L446-V508 HydrophobicContact CB-CG2 4.19Å; L446-V508 HydrophobicContact CD2-CG2 4.02Å; L446-V508 HydrophobicContact CG-CG2 4.48Å; L446-V508 PolarHBondContact N-O 2.89Å; L446-V508 PolarHBondContact O-N 3.03Å |
| 447 | V | 82.8 | Confident | 66 | Low | 29 Ų | 29 | 56.3 Ų | 56.3 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.6 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | A481 D482 L507 | V447-A481 HydrophobicContact CG2-CB 3.78Å; V447-A481 WeakPolarHBondContact CG2-O 3.27Å; V447-D482 WeakPolarHBondContact CG1-OD1 3.45Å; V447-D482 HydrophobicContact CG2-CB 4.01Å; V447-L507 HydrophobicContact CB-CD2 4.41Å; V447-L507 HydrophobicContact CG2-CD2 3.67Å |
| 448 | C | 73.9 | Confident | 67.6 | Low | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -75 | 128.5 | 173.5 | -160.1 | 0 | 0 | 0 | 0 | 109.5 | Y458 R506 | C448-Y458 HydrophobicContact CB-CD2 3.53Å; C448-Y458 HydrophobicContact CB-CE2 3.78Å; C448-Y458 HydrophobicContact CB-CG 4.28Å; C448-Y458 WeakPolarHBondContact SG-CB 3.27Å; C448-Y458 WeakPolarHBondContact SG-CD2 3.14Å; C448-R506 HydrophobicContact CB-CB 3.9Å; C448-R506 WeakPolarHBondContact CB-O 3.01Å; C448-R506 PolarHBondContact N-O 2.88Å |
| 449 | P | 64 | Low | 69.1 | Low | 49 Ų | 49 | 51.4 Ų | 51.4 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 145.9 | 175.5 | 22.5 | -31.8 | 0 | 0 | 0 | 112.6 | K451 E454 | P449-K451 VanDerWaalsContact C-N 3.26Å; P449-K451 PolarHBondContact O-N 3.05Å; P449-E454 HydrophobicContact CB-CB 4.02Å; P449-E454 WeakPolarHBondContact CB-OE2 3.41Å; P449-E454 HydrophobicContact CG-CB 3.39Å; P449-E454 HydrophobicContact CG-CG 4.27Å; P449-E454 WeakPolarHBondContact CG-OE2 3.38Å |
| 450 | E | 60 | Low | 70.4 | Confident | 100 Ų | 100 | 50.3 Ų | 50.3 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -62.9 | -27.2 | -175.2 | -67.1 | 179.1 | 163.1 | 0 | 0 | 114 | I452 N485 | E450-I452 PolarHBondContact O-N 3.24Å; E450-N485 PolarHBondContact OE1-OD1 2.71Å |
| 451 | K | 60.2 | Low | 71.5 | Confident | 143 Ų | 143 | 44.6 Ų | 44.6 | 62% | 0.622 | 23% | 0.23 | S | C | * | . | trans | -76.7 | 128.9 | -174.7 | -70 | -174.8 | -179.7 | 179.5 | 0 | 111.5 | P449 D453 E454 L455 | P449-K451 VanDerWaalsContact C-N 3.26Å; P449-K451 PolarHBondContact O-N 3.05Å; K451-D453 PolarHBondContact O-N 3.14Å; K451-E454 HydrophobicContact CB-CG 4.23Å; K451-E454 WeakPolarHBondContact O-CA 3.28Å; K451-E454 WeakPolarHBondContact O-CB 3.42Å; K451-E454 PolarHBondContact O-N 3.02Å; K451-L455 PolarHBondContact O-N 3.25Å | ||
| 452 | I | 53.8 | Low | 72.4 | Confident | 91 Ų | 91 | 41.4 Ų | 41.4 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -53.6 | -38.4 | 176.9 | -68 | 167.3 | 0 | 0 | 0 | 112.3 | E450 E454 L455 | E450-I452 PolarHBondContact O-N 3.24Å; I452-E454 PolarHBondContact O-N 3.07Å; I452-E454 VanDerWaalsContact O-N 3.09Å; I452-L455 HydrophobicContact CB-CD1 4.33Å; I452-L455 HydrophobicContact CG1-CD1 4.29Å; I452-L455 HydrophobicContact CG2-CD1 4.21Å; I452-L455 VanDerWaalsContact O-CB 3.29Å; I452-L455 WeakPolarHBondContact O-CB 3.47Å; I452-L455 PolarHBondContact O-N 3.26Å |
| 453 | D | 54.1 | Low | 72.5 | Confident | 106 Ų | 106 | 43.2 Ų | 43.2 | 57% | 0.567 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -60.4 | -23.3 | 178.3 | -60.8 | -20.3 | 0 | 0 | 0 | 112.5 | K451 | K451-D453 PolarHBondContact O-N 3.14Š|
| 454 | E | 60.4 | Low | 72 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -93 | -10.1 | 179.4 | -57.9 | -177.9 | -155.5 | 0 | 0 | 112.9 | P449 K451 I452 N456 I457 | P449-E454 HydrophobicContact CB-CB 4.02Å; P449-E454 WeakPolarHBondContact CB-OE2 3.41Å; P449-E454 HydrophobicContact CG-CB 3.39Å; P449-E454 HydrophobicContact CG-CG 4.27Å; P449-E454 WeakPolarHBondContact CG-OE2 3.38Å; K451-E454 HydrophobicContact CB-CG 4.23Å; K451-E454 WeakPolarHBondContact O-CA 3.28Å; K451-E454 WeakPolarHBondContact O-CB 3.42Å; K451-E454 PolarHBondContact O-N 3.02Å; I452-E454 PolarHBondContact O-N 3.07Å; I452-E454 VanDerWaalsContact O-N 3.09Å; E454-N456 PolarHBondContact O-N 3.26Å; E454-N456 VanDerWaalsContact O-N 3.13Å; E454-I457 HydrophobicContact CB-CD1 4.43Å; E454-I457 WeakPolarHBondContact O-CB 3.37Å; E454-I457 PolarHBondContact O-N 3.38Å |
| 455 | L | 65.5 | Low | 71.6 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.1 | -29.1 | 170.4 | -81.2 | 162.9 | 0 | 0 | 0 | 111.5 | Y355 F358 K451 I452 I457 Y458 M459 | Y355-L455 HydrophobicContact CD2-CD2 4.11Å; Y355-L455 HydrophobicContact CE2-CD2 4.13Å; F358-L455 HydrophobicContact CD2-CD1 4.11Å; F358-L455 HydrophobicContact CE2-CD1 3.91Å; K451-L455 PolarHBondContact O-N 3.25Å; I452-L455 HydrophobicContact CB-CD1 4.33Å; I452-L455 HydrophobicContact CG1-CD1 4.29Å; I452-L455 HydrophobicContact CG2-CD1 4.21Å; I452-L455 VanDerWaalsContact O-CB 3.29Å; I452-L455 WeakPolarHBondContact O-CB 3.47Å; I452-L455 PolarHBondContact O-N 3.26Å; L455-I457 PolarHBondContact O-N 3.2Å; L455-Y458 WeakPolarHBondContact O-CB 3.01Å; L455-Y458 PolarHBondContact O-N 3.32Å; L455-Y458 VanDerWaalsContact O-N 3.12Å; L455-M459 WeakPolarHBondContact O-CB 3.5Å; L455-M459 VanDerWaalsContact O-CG 3.31Å; L455-M459 WeakPolarHBondContact O-CG 3.4Å; L455-M459 PolarHBondContact O-N 3.47Å |
| 456 | N | 66 | Low | 71 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.9 | -37.9 | 174 | -90 | -40.6 | 0 | 0 | 0 | 113 | E454 N460 Y834 N838 | E454-N456 PolarHBondContact O-N 3.26Å; E454-N456 VanDerWaalsContact O-N 3.13Å; N456-N460 VanDerWaalsContact O-CB 3.28Å; N456-N460 WeakPolarHBondContact O-CB 3.28Å; N456-N460 PolarHBondContact O-N 3.35Å; N456-N460 PolarHBondContact O-ND2 2.83Å; N456-N460 VanDerWaalsContact O-ND2 3.15Å; N456-Y834 VanDerWaalsContact ND2-CZ 3.34Å; N456-Y834 PolarHBondContact ND2-OH 3.35Å; N456-Y834 WeakPolarHBondContact OD1-CE1 3.39Å; N456-Y834 PolarHBondContact OD1-OH 3.42Å; N456-N838 PolarHBondContact ND2-OD1 3.03Å |
| 457 | I | 69.6 | Low | 70 | Confident | 70 Ų | 70 | 47.1 Ų | 47.1 | 36% | 0.359 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.8 | -45.3 | 178.9 | -58 | 174.4 | 0 | 0 | 0 | 109 | E454 L455 N460 I461 Y472 | E454-I457 HydrophobicContact CB-CD1 4.43Å; E454-I457 WeakPolarHBondContact O-CB 3.37Å; E454-I457 PolarHBondContact O-N 3.38Å; L455-I457 PolarHBondContact O-N 3.2Å; I457-N460 WeakPolarHBondContact O-CB 3.34Å; I457-N460 PolarHBondContact O-N 3.04Å; I457-I461 HydrophobicContact CG2-CD1 4.18Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.17Å; I457-I461 PolarHBondContact O-N 2.9Å; I457-Y472 HydrophobicContact CG2-CE1 3.77Å; I457-Y472 WeakPolarHBondContact CG2-OH 3.43Å |
| 458 | Y | 74.4 | Confident | 68.8 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 177.1 | -173.3 | -95.1 | 0 | 0 | 0 | 112.4 | Y355 C448 L455 N460 I461 I462 V508 L568 | Y355-Y458 HydrophobicContact CE2-CE1 4.4Å; Y355-Y458 WeakPolarHBondContact OH-CE1 3.28Å; C448-Y458 HydrophobicContact CB-CD2 3.53Å; C448-Y458 HydrophobicContact CB-CE2 3.78Å; C448-Y458 HydrophobicContact CB-CG 4.28Å; C448-Y458 WeakPolarHBondContact SG-CB 3.27Å; C448-Y458 WeakPolarHBondContact SG-CD2 3.14Å; L455-Y458 WeakPolarHBondContact O-CB 3.01Å; L455-Y458 PolarHBondContact O-N 3.32Å; L455-Y458 VanDerWaalsContact O-N 3.12Å; Y458-N460 VanDerWaalsContact C-N 3.28Å; Y458-N460 PolarHBondContact O-N 3.37Å; Y458-I461 WeakPolarHBondContact O-CB 3.5Å; Y458-I461 PolarHBondContact O-N 2.95Å; Y458-I462 HydrophobicContact CD1-CD1 3.78Å; Y458-I462 HydrophobicContact CD1-CG1 4.41Å; Y458-I462 HydrophobicContact CE1-CD1 3.18Å; Y458-I462 HydrophobicContact CE1-CG1 4.04Å; Y458-I462 PolarHBondContact O-N 3Å; Y458-V508 HydrophobicContact CD2-CG2 3.72Å; Y458-V508 HydrophobicContact CE2-CB 4.31Å; Y458-V508 HydrophobicContact CE2-CG2 3.02Å; Y458-V508 WeakPolarHBondContact OH-CG2 3.46Å; Y458-L568 HydrophobicContact CE1-CD1 4.21Å; Y458-L568 WeakPolarHBondContact OH-CB 3.31Å; Y458-L568 WeakPolarHBondContact OH-CD1 3.3Å |
| 459 | M | 77.4 | Confident | 67.9 | Low | 11 Ų | 11 | 55.7 Ų | 55.7 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 177.2 | -66.9 | -39 | -177.6 | 0 | 0 | 111.7 | Y355 F358 L362 L455 I462 R463 | Y355-M459 HydrophobicContact CD2-CE 4.4Å; Y355-M459 HydrophobicContact CE2-CE 3.93Å; F358-M459 HydrophobicContact CB-CE 3.22Å; F358-M459 HydrophobicContact CB-CG 4.45Å; F358-M459 HydrophobicContact CB-SD 4.42Å; F358-M459 HydrophobicContact CG-CE 4.16Å; L362-M459 HydrophobicContact CD1-CB 3.83Å; L362-M459 HydrophobicContact CD1-CG 3.89Å; L362-M459 HydrophobicContact CD1-SD 3.24Å; L362-M459 WeakPolarHBondContact CD1-SD 3.17Å; L362-M459 HydrophobicContact CD2-CB 4.14Å; L362-M459 HydrophobicContact CG-CB 4.21Å; L362-M459 HydrophobicContact CG-CG 4.34Å; L362-M459 HydrophobicContact CG-SD 4.17Å; L455-M459 WeakPolarHBondContact O-CB 3.5Å; L455-M459 VanDerWaalsContact O-CG 3.31Å; L455-M459 WeakPolarHBondContact O-CG 3.4Å; L455-M459 PolarHBondContact O-N 3.47Å; M459-I462 HydrophobicContact SD-CD1 4.36Å; M459-R463 VanDerWaalsContact O-CB 3.22Å; M459-R463 WeakPolarHBondContact O-CB 3.36Å; M459-R463 PolarHBondContact O-N 3.11Å |
| 460 | N | 75.2 | Confident | 67.3 | Low | 68 Ų | 68 | 57.3 Ų | 57.3 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 171.2 | -79.4 | -30.4 | 0 | 0 | 0 | 112.7 | N456 I457 Y458 R463 N464 | N456-N460 VanDerWaalsContact O-CB 3.28Å; N456-N460 WeakPolarHBondContact O-CB 3.28Å; N456-N460 PolarHBondContact O-N 3.35Å; N456-N460 PolarHBondContact O-ND2 2.83Å; N456-N460 VanDerWaalsContact O-ND2 3.15Å; I457-N460 WeakPolarHBondContact O-CB 3.34Å; I457-N460 PolarHBondContact O-N 3.04Å; Y458-N460 VanDerWaalsContact C-N 3.28Å; Y458-N460 PolarHBondContact O-N 3.37Å; N460-R463 PolarHBondContact O-N 3.44Å; N460-R463 PolarHBondContact OD1-NH2 3.07Å; N460-N464 VanDerWaalsContact O-CB 3.27Å; N460-N464 WeakPolarHBondContact O-CB 2.99Å; N460-N464 PolarHBondContact O-N 3.06Å |
| 461 | I | 79.3 | Confident | 67.4 | Low | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.7 | -43.7 | 178.1 | -67.4 | 166.4 | 0 | 0 | 0 | 111.1 | L446 I457 Y458 R463 G465 L466 Y472 M510 | L446-I461 HydrophobicContact CD2-CD1 3.47Å; L446-I461 VanDerWaalsContact CD2-CD1 3.47Å; L446-I461 HydrophobicContact CD2-CG2 4.38Å; I457-I461 HydrophobicContact CG2-CD1 4.18Å; I457-I461 VanDerWaalsContact O-CG1 3.31Å; I457-I461 WeakPolarHBondContact O-CG1 3.17Å; I457-I461 PolarHBondContact O-N 2.9Å; Y458-I461 WeakPolarHBondContact O-CB 3.5Å; Y458-I461 PolarHBondContact O-N 2.95Å; I461-R463 VanDerWaalsContact C-N 3.26Å; I461-R463 PolarHBondContact O-N 3.09Å; I461-G465 WeakPolarHBondContact O-CA 3.44Å; I461-G465 PolarHBondContact O-N 2.98Å; I461-L466 HydrophobicContact CD1-CD1 4.09Å; I461-L466 HydrophobicContact CG1-CD1 4.42Å; I461-L466 HydrophobicContact CG2-CD1 4.5Å; I461-Y472 HydrophobicContact CD1-CE1 4Å; I461-Y472 HydrophobicContact CD1-CE2 4.24Å; I461-M510 HydrophobicContact CG2-SD 4.5Å |
| 462 | I | 84.4 | Confident | 67.7 | Low | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.4 | -70.1 | -178.9 | 0 | 0 | 0 | 110.8 | L362 L370 I372 I414 N416 Y458 M459 | L362-I462 HydrophobicContact CD1-CB 4.42Å; L362-I462 HydrophobicContact CD1-CG2 4.22Å; L370-I462 HydrophobicContact CD1-CG2 3.99Å; L370-I462 HydrophobicContact CD2-CG2 3.88Å; I372-I462 HydrophobicContact CD1-CG2 4Å; I414-I462 HydrophobicContact CD1-CD1 4.27Å; I414-I462 HydrophobicContact CD1-CG1 4.17Å; I414-I462 HydrophobicContact CG2-CG2 4.18Å; N416-I462 PolarHBondContact ND2-O 3.27Å; Y458-I462 HydrophobicContact CD1-CD1 3.78Å; Y458-I462 HydrophobicContact CD1-CG1 4.41Å; Y458-I462 HydrophobicContact CE1-CD1 3.18Å; Y458-I462 HydrophobicContact CE1-CG1 4.04Å; Y458-I462 PolarHBondContact O-N 3Å; M459-I462 HydrophobicContact SD-CD1 4.36Å |
| 463 | R | 80.7 | Confident | 68.5 | Low | 54 Ų | 54 | 54.8 Ų | 54.8 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -47.8 | -177.7 | -167.9 | 174.7 | 59 | 180 | -0.7 | 112.5 | L362 M366 N416 M459 N460 I461 | L362-R463 HydrophobicContact CD2-CB 4.41Å; M366-R463 HydrophobicContact CG-CG 4.07Å; M366-R463 HydrophobicContact SD-CG 3.47Å; M366-R463 WeakPolarHBondContact SD-CG 3.24Å; N416-R463 PolarHBondContact ND2-O 3.2Å; N416-R463 VanDerWaalsContact ND2-O 3.11Å; M459-R463 VanDerWaalsContact O-CB 3.22Å; M459-R463 WeakPolarHBondContact O-CB 3.36Å; M459-R463 PolarHBondContact O-N 3.11Å; N460-R463 PolarHBondContact O-N 3.44Å; N460-R463 PolarHBondContact OD1-NH2 3.07Å; I461-R463 VanDerWaalsContact C-N 3.26Å; I461-R463 PolarHBondContact O-N 3.09Å |
| 464 | N | 74.2 | Confident | 69.5 | Low | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -116.9 | -4.8 | -164.2 | -57.8 | -24.5 | 0 | 0 | 0 | 114.5 | W175 N178 N460 | W175-N464 WeakPolarHBondContact CZ3-O 3.43Å; N178-N464 PolarHBondContact ND2-ND2 3.36Å; N178-N464 PolarHBondContact ND2-OD1 3.43Å; N460-N464 VanDerWaalsContact O-CB 3.27Å; N460-N464 WeakPolarHBondContact O-CB 2.99Å; N460-N464 PolarHBondContact O-N 3.06Å |
| 465 | G | 76.2 | Confident | 70.3 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 8% | 0.082 | 23% | 0.231 | C | C | . | . | trans | 76.2 | -178.3 | -167 | 0 | 0 | 0 | 0 | 0 | 112.6 | I461 Q467 | I461-G465 WeakPolarHBondContact O-CA 3.44Å; I461-G465 PolarHBondContact O-N 2.98Å; G465-Q467 PolarHBondContact O-N 3.12Å | ||
| 466 | L | 73.9 | Confident | 71 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 14% | 0.141 | 23% | 0.228 | C | C | . | . | trans | -78.5 | 118.3 | -179.3 | -163.9 | 83.8 | 0 | 0 | 0 | 110.6 | L446 I461 Y472 L474 M510 | L446-L466 HydrophobicContact CD2-CD1 4.45Å; I461-L466 HydrophobicContact CD1-CD1 4.09Å; I461-L466 HydrophobicContact CG1-CD1 4.42Å; I461-L466 HydrophobicContact CG2-CD1 4.5Å; L466-Y472 HydrophobicContact CD1-CD2 3.37Å; L466-Y472 HydrophobicContact CD1-CE2 3.61Å; L466-Y472 HydrophobicContact CD1-CG 4.04Å; L466-Y472 HydrophobicContact CD2-CD2 4.5Å; L466-Y472 HydrophobicContact CG-CD2 4.01Å; L466-Y472 HydrophobicContact CG-CE2 4.22Å; L466-L474 HydrophobicContact CD2-CD1 3.5Å; L466-L474 VanDerWaalsContact CD2-CD1 3.5Å; L466-M510 HydrophobicContact CB-CE 4.06Å | ||
| 467 | Q | 65.1 | Low | 71.9 | Confident | 86 Ų | 86 | 45.6 Ų | 45.6 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | trans | -95.4 | 127.2 | 174.3 | -63.3 | -169.1 | -18.2 | 0 | 0 | 110.4 | G465 D469 N470 | G465-Q467 PolarHBondContact O-N 3.12Å; Q467-D469 PolarHBondContact O-N 3.34Å; Q467-D469 VanDerWaalsContact O-N 3.16Å; Q467-N470 PolarHBondContact O-N 3.14Å | ||
| 468 | M | 55.6 | Low | 72.7 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 31% | 0.31 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.6 | -166.1 | -71.6 | -66 | -75.2 | 0 | 0 | 115.8 | N470 V534 S560 | M468-N470 PolarHBondContact O-N 3.04Å; M468-N470 VanDerWaalsContact O-N 3.16Å; M468-V534 HydrophobicContact CE-CG1 3.88Å; M468-V534 HydrophobicContact CE-CG2 4.37Å; M468-S560 WeakPolarHBondContact SD-CB 3.35Å |
| 469 | D | 55 | Low | 73.2 | Confident | 153 Ų | 153 | 42.3 Ų | 42.3 | 82% | 0.818 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -12.9 | -179.5 | -68.1 | -14.8 | 0 | 0 | 0 | 112.6 | Q467 | Q467-D469 PolarHBondContact O-N 3.34Å; Q467-D469 VanDerWaalsContact O-N 3.16Å |
| 470 | N | 52 | Low | 73.3 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -107.1 | 128.4 | -176 | -66.9 | -23.4 | 0 | 0 | 0 | 111.3 | Q467 M468 Y472 | Q467-N470 PolarHBondContact O-N 3.14Å; M468-N470 PolarHBondContact O-N 3.04Å; M468-N470 VanDerWaalsContact O-N 3.16Å; N470-Y472 HydrophobicContact CB-CD2 3.87Å; N470-Y472 HydrophobicContact CB-CE1 4.18Å; N470-Y472 HydrophobicContact CB-CE2 3.16Å; N470-Y472 WeakPolarHBondContact CB-OH 2.96Å; N470-Y472 PolarHBondContact ND2-OH 3.26Å; N470-Y472 WeakPolarHBondContact O-CD2 3.46Å; N470-Y472 PolarHBondContact O-N 2.93Å; N470-Y472 VanDerWaalsContact O-N 3.16Å |
| 471 | K | 61.5 | Low | 73.6 | Confident | 170 Ų | 170 | 42.1 Ų | 42.1 | 74% | 0.739 | 21% | 0.207 | S | C | * | . | trans | -74 | 101.4 | 176.5 | -67.7 | -174.8 | 176.9 | -171.1 | 0 | 110.4 | ||||
| 472 | Y | 67.9 | Low | 73.9 | Confident | 38 Ų | 38 | 42 Ų | 42 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | trans | -111.3 | 143.5 | 175.6 | -59.4 | -70.3 | 0 | 0 | 0 | 111.7 | L446 I457 I461 L466 N470 | L446-Y472 HydrophobicContact CD1-CD1 4.07Å; L446-Y472 HydrophobicContact CD1-CG 4.15Å; I457-Y472 HydrophobicContact CG2-CE1 3.77Å; I457-Y472 WeakPolarHBondContact CG2-OH 3.43Å; I461-Y472 HydrophobicContact CD1-CE1 4Å; I461-Y472 HydrophobicContact CD1-CE2 4.24Å; L466-Y472 HydrophobicContact CD1-CD2 3.37Å; L466-Y472 HydrophobicContact CD1-CE2 3.61Å; L466-Y472 HydrophobicContact CD1-CG 4.04Å; L466-Y472 HydrophobicContact CD2-CD2 4.5Å; L466-Y472 HydrophobicContact CG-CD2 4.01Å; L466-Y472 HydrophobicContact CG-CE2 4.22Å; N470-Y472 HydrophobicContact CB-CD2 3.87Å; N470-Y472 HydrophobicContact CB-CE1 4.18Å; N470-Y472 HydrophobicContact CB-CE2 3.16Å; N470-Y472 WeakPolarHBondContact CB-OH 2.96Å; N470-Y472 PolarHBondContact ND2-OH 3.26Å; N470-Y472 WeakPolarHBondContact O-CD2 3.46Å; N470-Y472 PolarHBondContact O-N 2.93Å; N470-Y472 VanDerWaalsContact O-N 3.16Å | ||
| 473 | K | 69.2 | Low | 73.8 | Confident | 74 Ų | 74 | 44.3 Ų | 44.3 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | trans | -85.6 | 109.3 | 172.4 | -164.3 | -178.5 | -169.5 | -173.7 | 0 | 107.9 | L480 D483 | K473-L480 WeakPolarHBondContact CD-O 3.27Å; K473-L480 WeakPolarHBondContact CE-O 3.43Å; K473-L480 PolarHBondContact NZ-O 3.48Å; K473-D483 IonicContact NZ-OD2 3.62Å | ||
| 474 | L | 76.6 | Confident | 73.8 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -119.3 | 127.6 | 178.4 | -74.1 | 164.1 | 0 | 0 | 0 | 109.4 | L444 L446 L466 M510 | L444-L474 HydrophobicContact CB-CB 4.47Å; L444-L474 HydrophobicContact CB-CD2 4.33Å; L444-L474 HydrophobicContact CD1-CB 4.19Å; L446-L474 HydrophobicContact CB-CD2 3.88Å; L446-L474 HydrophobicContact CD1-CD2 4.2Å; L466-L474 HydrophobicContact CD2-CD1 3.5Å; L466-L474 VanDerWaalsContact CD2-CD1 3.5Å; L474-M510 HydrophobicContact CD2-CG 4.18Å | ||
| 475 | T | 77.5 | Confident | 74.1 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -159.7 | 153.2 | -176.9 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | F445 S477 L480 A481 | F445-T475 WeakPolarHBondContact CD2-O 3.27Å; F445-T475 PolarHBondContact N-O 2.71Å; T475-S477 VanDerWaalsContact C-N 3.3Å; T475-S477 WeakPolarHBondContact CG2-O 3.21Å; T475-S477 PolarHBondContact OG1-N 3.43Å; T475-L480 HydrophobicContact CG2-CB 3.83Å; T475-A481 HydrophobicContact CG2-CB 3.71Å |
| 476 | N | 80 | Confident | 74.5 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -90.2 | 8.7 | 173.6 | 66.5 | -7 | 0 | 0 | 0 | 113 | R392 D442 Y443 L444 F445 V552 | R392-N476 WeakPolarHBondContact CD-O 3.46Å; R392-N476 PolarHBondContact NH1-ND2 3.35Å; D442-N476 PolarHBondContact OD2-ND2 3.11Å; Y443-N476 WeakPolarHBondContact O-CB 3.43Å; L444-N476 HydrophobicContact CD2-CB 3.9Å; F445-N476 WeakPolarHBondContact CE2-O 3.23Å; N476-V552 WeakPolarHBondContact OD1-CG1 3.49Å |
| 477 | S | 83.6 | Confident | 74.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | trans | -103.6 | 123 | 170.8 | 172.2 | 0 | 0 | 0 | 0 | 109.8 | T475 N479 L480 A481 | T475-S477 VanDerWaalsContact C-N 3.3Å; T475-S477 WeakPolarHBondContact CG2-O 3.21Å; T475-S477 PolarHBondContact OG1-N 3.43Å; S477-N479 PolarHBondContact O-N 2.9Å; S477-L480 PolarHBondContact O-N 3.06Å; S477-L480 PolarHBondContact OG-N 3.34Å; S477-A481 WeakPolarHBondContact O-CB 3.45Å; S477-A481 PolarHBondContact O-N 2.77Å | ||
| 478 | L | 86.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | -179.6 | -177.4 | 58.4 | 0 | 0 | 0 | 111.7 | R392 F393 I406 F445 L480 A481 D482 L507 I571 Y573 | R392-L478 PolarHBondContact O-N 3.04Å; F393-L478 HydrophobicContact CB-CB 4.47Å; F393-L478 HydrophobicContact CB-CD2 4.33Å; F393-L478 HydrophobicContact CD2-CB 4.13Å; F393-L478 HydrophobicContact CD2-CD2 3.93Å; F393-L478 HydrophobicContact CD2-CG 4.03Å; I406-L478 HydrophobicContact CD1-CD2 3.59Å; F445-L478 HydrophobicContact CD2-CB 4.44Å; F445-L478 HydrophobicContact CE2-CB 4.21Å; L478-L480 VanDerWaalsContact C-N 3.31Å; L478-L480 PolarHBondContact O-N 3.36Å; L478-A481 PolarHBondContact O-N 2.93Å; L478-D482 PolarHBondContact O-N 2.78Å; L478-L507 HydrophobicContact CD1-CD1 3.61Å; L478-L507 HydrophobicContact CD1-CD2 4.02Å; L478-L507 HydrophobicContact CD1-CG 4.48Å; L478-I571 HydrophobicContact CD1-CD1 4.17Å; L478-I571 HydrophobicContact CD2-CD1 3.84Å; L478-Y573 HydrophobicContact CD2-CE1 4.31Å |
| 479 | N | 85.2 | Confident | 76.7 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.5 | -46 | 174.5 | -62.6 | 57.6 | 0 | 0 | 0 | 111.7 | F393 C394 D397 S477 D483 | F393-N479 WeakPolarHBondContact CA-OD1 3.17Å; F393-N479 WeakPolarHBondContact CD2-OD1 3.49Å; C394-N479 PolarHBondContact N-OD1 3.31Å; C394-N479 PolarHBondContact O-ND2 3.42Å; D397-N479 PolarHBondContact OD2-ND2 2.85Å; S477-N479 PolarHBondContact O-N 2.9Å; N479-D483 WeakPolarHBondContact O-CA 3.43Å; N479-D483 WeakPolarHBondContact O-CB 3.35Å; N479-D483 PolarHBondContact O-N 3.29Å |
| 480 | L | 80.3 | Confident | 77.9 | Confident | 63 Ų | 63 | 45 Ų | 45 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.7 | -37.6 | -179.2 | -65.3 | 179.9 | 0 | 0 | 0 | 111.4 | K473 T475 S477 L478 L549 | K473-L480 WeakPolarHBondContact CD-O 3.27Å; K473-L480 WeakPolarHBondContact CE-O 3.43Å; K473-L480 PolarHBondContact NZ-O 3.48Å; T475-L480 HydrophobicContact CG2-CB 3.83Å; S477-L480 PolarHBondContact O-N 3.06Å; S477-L480 PolarHBondContact OG-N 3.34Å; L478-L480 VanDerWaalsContact C-N 3.31Å; L478-L480 PolarHBondContact O-N 3.36Å; L480-L549 HydrophobicContact CD1-CD2 4.39Å |
| 481 | A | 81.8 | Confident | 79.2 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -48.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F445 V447 T475 S477 L478 | F445-A481 HydrophobicContact CB-CB 3.64Å; F445-A481 HydrophobicContact CD2-CB 4.49Å; F445-A481 HydrophobicContact CG-CB 4.46Å; V447-A481 HydrophobicContact CG2-CB 3.78Å; V447-A481 WeakPolarHBondContact CG2-O 3.27Å; T475-A481 HydrophobicContact CG2-CB 3.71Å; S477-A481 WeakPolarHBondContact O-CB 3.45Å; S477-A481 PolarHBondContact O-N 2.77Å; L478-A481 PolarHBondContact O-N 2.93Å |
| 482 | D | 85.1 | Confident | 79.8 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -99.5 | 13.9 | -172.4 | -158 | 45.5 | 0 | 0 | 0 | 114.5 | V447 L478 K484 N485 L486 A505 Y573 | V447-D482 WeakPolarHBondContact CG1-OD1 3.45Å; V447-D482 HydrophobicContact CG2-CB 4.01Å; L478-D482 PolarHBondContact O-N 2.78Å; D482-K484 PolarHBondContact O-N 2.81Å; D482-N485 PolarHBondContact O-N 2.74Å; D482-N485 WeakPolarHBondContact OD1-CB 3.33Å; D482-N485 PolarHBondContact OD1-ND2 3.13Å; D482-N485 WeakPolarHBondContact OD2-CB 3.25Å; D482-L486 HydrophobicContact CB-CD1 4.33Å; D482-L486 HydrophobicContact CB-CG 4.48Å; D482-L486 PolarHBondContact O-N 3.42Å; D482-A505 WeakPolarHBondContact OD2-CB 3.23Å; D482-Y573 WeakPolarHBondContact OD2-CE2 3.27Å; D482-Y573 PolarHBondContact OD2-OH 2.65Å |
| 483 | D | 82.6 | Confident | 80.1 | Confident | 48 Ų | 48 | 42 Ų | 42 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -47 | -39.1 | -176.9 | 174.8 | 46.4 | 0 | 0 | 0 | 113.8 | K473 N479 L486 Q487 | K473-D483 IonicContact NZ-OD2 3.62Å; N479-D483 WeakPolarHBondContact O-CA 3.43Å; N479-D483 WeakPolarHBondContact O-CB 3.35Å; N479-D483 PolarHBondContact O-N 3.29Å; D483-L486 PolarHBondContact O-N 2.71Å; D483-Q487 WeakPolarHBondContact O-CB 3.39Å; D483-Q487 WeakPolarHBondContact O-CG 3.42Å; D483-Q487 PolarHBondContact O-N 2.88Å; D483-Q487 PolarHBondContact OD1-NE2 2.78Å; D483-Q487 PolarHBondContact OD2-NE2 2.97Å; D483-Q487 VanDerWaalsContact OD2-NE2 3.14Å |
| 484 | K | 79.5 | Confident | 80.3 | Confident | 167 Ų | 167 | 42.6 Ų | 42.6 | 73% | 0.726 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63.3 | -48.2 | 177.2 | -73.8 | -175.6 | -180 | 176.7 | 0 | 112.4 | D482 Q487 V488 | D482-K484 PolarHBondContact O-N 2.81Å; K484-Q487 PolarHBondContact O-N 3.35Å; K484-V488 VanDerWaalsContact O-CG2 3.32Å; K484-V488 WeakPolarHBondContact O-CG2 3.29Å; K484-V488 PolarHBondContact O-N 2.68Å |
| 485 | N | 80.8 | Confident | 80.2 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.8 | -39.2 | -179.7 | -67.6 | -14.6 | 0 | 0 | 0 | 110.1 | E450 D482 Q487 V488 M489 | E450-N485 PolarHBondContact OE1-OD1 2.71Å; D482-N485 PolarHBondContact O-N 2.74Å; D482-N485 WeakPolarHBondContact OD1-CB 3.33Å; D482-N485 PolarHBondContact OD1-ND2 3.13Å; D482-N485 WeakPolarHBondContact OD2-CB 3.25Å; N485-Q487 VanDerWaalsContact C-N 3.35Å; N485-Q487 PolarHBondContact O-N 2.72Å; N485-V488 PolarHBondContact O-N 3Å; N485-M489 WeakPolarHBondContact O-CB 3.22Å; N485-M489 WeakPolarHBondContact O-CG 3.13Å; N485-M489 PolarHBondContact O-N 3.25Å |
| 486 | L | 84.8 | Confident | 79.6 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 172.8 | -72.5 | 169.7 | 0 | 0 | 0 | 112.6 | F393 I399 I403 D482 D483 M489 H490 Y573 | F393-L486 HydrophobicContact CE2-CD1 4.23Å; F393-L486 HydrophobicContact CE2-CD2 4.44Å; I399-L486 HydrophobicContact CG2-CB 3.89Å; I399-L486 HydrophobicContact CG2-CD2 4.3Å; I403-L486 HydrophobicContact CD1-CD2 3.54Å; D482-L486 HydrophobicContact CB-CD1 4.33Å; D482-L486 HydrophobicContact CB-CG 4.48Å; D482-L486 PolarHBondContact O-N 3.42Å; D483-L486 PolarHBondContact O-N 2.71Å; L486-M489 HydrophobicContact CD2-CE 3.64Å; L486-M489 HydrophobicContact CG-CE 4.26Å; L486-M489 WeakPolarHBondContact O-CB 3.39Å; L486-M489 PolarHBondContact O-N 3.11Å; L486-H490 WeakPolarHBondContact O-CB 3.3Å; L486-H490 PolarHBondContact O-N 2.77Å; L486-Y573 HydrophobicContact CD2-CD2 4.48Å; L486-Y573 HydrophobicContact CD2-CE1 4.32Å; L486-Y573 HydrophobicContact CD2-CE2 4.26Å |
| 487 | Q | 82.6 | Confident | 78.8 | Confident | 99 Ų | 99 | 54.9 Ų | 54.9 | 46% | 0.463 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 173.7 | -75.7 | 174.4 | 20.1 | 0 | 0 | 112.4 | I399 D483 K484 N485 M489 H490 R491 | I399-Q487 HydrophobicContact CD1-CG 3.87Å; D483-Q487 WeakPolarHBondContact O-CB 3.39Å; D483-Q487 WeakPolarHBondContact O-CG 3.42Å; D483-Q487 PolarHBondContact O-N 2.88Å; D483-Q487 PolarHBondContact OD1-NE2 2.78Å; D483-Q487 PolarHBondContact OD2-NE2 2.97Å; D483-Q487 VanDerWaalsContact OD2-NE2 3.14Å; K484-Q487 PolarHBondContact O-N 3.35Å; N485-Q487 VanDerWaalsContact C-N 3.35Å; N485-Q487 PolarHBondContact O-N 2.72Å; Q487-M489 VanDerWaalsContact C-N 3.34Å; Q487-H490 PolarHBondContact O-N 2.84Å; Q487-R491 VanDerWaalsContact O-CB 3.23Å; Q487-R491 WeakPolarHBondContact O-CB 3.34Å; Q487-R491 PolarHBondContact O-N 3.12Å |
| 488 | V | 79.6 | Confident | 77.7 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 42% | 0.418 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | K484 N485 R491 S492 | K484-V488 VanDerWaalsContact O-CG2 3.32Å; K484-V488 WeakPolarHBondContact O-CG2 3.29Å; K484-V488 PolarHBondContact O-N 2.68Å; N485-V488 PolarHBondContact O-N 3Å; V488-R491 PolarHBondContact O-N 3.06Å; V488-S492 WeakPolarHBondContact O-CB 3.17Å; V488-S492 PolarHBondContact O-N 3.13Å; V488-S492 PolarHBondContact O-OG 3.1Å |
| 489 | M | 78.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -53.7 | 170.9 | -80.9 | -162.2 | -93.4 | 0 | 0 | 111.4 | N485 L486 Q487 R491 S492 I493 F498 H503 Y573 | N485-M489 WeakPolarHBondContact O-CB 3.22Å; N485-M489 WeakPolarHBondContact O-CG 3.13Å; N485-M489 PolarHBondContact O-N 3.25Å; L486-M489 HydrophobicContact CD2-CE 3.64Å; L486-M489 HydrophobicContact CG-CE 4.26Å; L486-M489 WeakPolarHBondContact O-CB 3.39Å; L486-M489 PolarHBondContact O-N 3.11Å; Q487-M489 VanDerWaalsContact C-N 3.34Å; M489-R491 VanDerWaalsContact C-N 3.26Å; M489-R491 PolarHBondContact O-N 2.94Å; M489-S492 WeakPolarHBondContact CA-OG 3.19Å; M489-S492 PolarHBondContact O-N 3.15Å; M489-S492 PolarHBondContact O-OG 3.07Å; M489-I493 VanDerWaalsContact O-CG1 3.23Å; M489-I493 WeakPolarHBondContact O-CG1 3.3Å; M489-I493 PolarHBondContact O-N 2.8Å; M489-F498 HydrophobicContact CB-CD2 4.39Å; M489-F498 HydrophobicContact CB-CE2 3.92Å; M489-F498 HydrophobicContact CG-CD2 4.44Å; M489-F498 HydrophobicContact CG-CE2 3.69Å; M489-F498 HydrophobicContact SD-CE2 3.87Å; M489-F498 HydrophobicContact SD-CZ 4.31Å; M489-H503 HydrophobicContact CE-CB 4.13Å; M489-H503 HydrophobicContact CG-CB 3.57Å; M489-H503 VanDerWaalsContact CG-CD2 3.42Å; M489-H503 WeakPolarHBondContact CG-CD2 3.32Å; M489-H503 HydrophobicContact SD-CB 3.51Å; M489-H503 VanDerWaalsContact SD-CB 3.51Å; M489-Y573 HydrophobicContact CE-CD2 3.23Å; M489-Y573 HydrophobicContact CE-CE2 3.69Å; M489-Y573 HydrophobicContact CE-CG 3.97Å; M489-Y573 HydrophobicContact SD-CD2 4.2Å |
| 490 | H | 80.9 | Confident | 75.3 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | 179.2 | -177.7 | -93 | 0 | 0 | 0 | 111.6 | I399 M402 L486 Q487 I493 S494 | I399-H490 HydrophobicContact CG1-CB 4.27Å; I399-H490 HydrophobicContact CG2-CB 4.1Å; M402-H490 VanDerWaalsContact CE-CD2 3.42Å; M402-H490 WeakPolarHBondContact CE-CD2 3.4Å; M402-H490 VanDerWaalsContact CE-NE2 3.33Å; M402-H490 WeakPolarHBondContact CE-NE2 3.42Å; L486-H490 WeakPolarHBondContact O-CB 3.3Å; L486-H490 PolarHBondContact O-N 2.77Å; Q487-H490 PolarHBondContact O-N 2.84Å; H490-I493 PolarHBondContact O-N 3.18Å; H490-S494 WeakPolarHBondContact O-CB 3.03Å; H490-S494 PolarHBondContact O-N 2.67Å; H490-S494 PolarHBondContact O-OG 2.98Å |
| 491 | R | 79.7 | Confident | 74.2 | Confident | 162 Ų | 162 | 57.7 Ų | 57.7 | 61% | 0.611 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -48.7 | 176.8 | -174.4 | 176.5 | -178.4 | 164.3 | 5.1 | 111.6 | Q487 V488 M489 I493 S494 E495 | Q487-R491 VanDerWaalsContact O-CB 3.23Å; Q487-R491 WeakPolarHBondContact O-CB 3.34Å; Q487-R491 PolarHBondContact O-N 3.12Å; V488-R491 PolarHBondContact O-N 3.06Å; M489-R491 VanDerWaalsContact C-N 3.26Å; M489-R491 PolarHBondContact O-N 2.94Å; R491-I493 VanDerWaalsContact C-N 3.28Å; R491-I493 PolarHBondContact O-N 3Å; R491-S494 WeakPolarHBondContact CA-OG 3.48Å; R491-S494 PolarHBondContact O-N 2.83Å; R491-S494 VanDerWaalsContact O-N 3.15Å; R491-S494 PolarHBondContact O-OG 2.52Å; R491-E495 HydrophobicContact CG-CG 4.33Å; R491-E495 WeakPolarHBondContact CG-OE1 3.44Å; R491-E495 IonicContact CZ-OE1 3.87Å; R491-E495 IonicContact NE-OE1 2.71Å; R491-E495 PolarHBondContact NE-OE1 2.79Å; R491-E495 IonicContact NH2-OE1 3.47Å; R491-E495 WeakPolarHBondContact O-CB 3.38Å; R491-E495 WeakPolarHBondContact O-CG 3.29Å; R491-E495 PolarHBondContact O-N 3.27Å |
| 492 | S | 74.1 | Confident | 73.2 | Confident | 15 Ų | 15 | 61 Ų | 61 | 11% | 0.105 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -34.3 | 178.9 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | V488 M489 E495 G496 N497 F498 H503 | V488-S492 WeakPolarHBondContact O-CB 3.17Å; V488-S492 PolarHBondContact O-N 3.13Å; V488-S492 PolarHBondContact O-OG 3.1Å; M489-S492 WeakPolarHBondContact CA-OG 3.19Å; M489-S492 PolarHBondContact O-N 3.15Å; M489-S492 PolarHBondContact O-OG 3.07Å; S492-E495 PolarHBondContact O-N 2.87Å; S492-G496 PolarHBondContact O-N 2.84Å; S492-G496 VanDerWaalsContact O-N 3.13Å; S492-N497 CarbonylContact O-C 3.56Å; S492-N497 PolarHBondContact O-N 2.84Å; S492-F498 PolarHBondContact O-N 3.13Å; S492-F498 WeakPolarHBondContact OG-CD2 3.29Å; S492-H503 PolarHBondContact OG-NE2 3.04Å |
| 493 | I | 73.4 | Confident | 72.4 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.7 | -49.6 | 171.8 | -65.4 | 165.2 | 0 | 0 | 0 | 109.7 | M402 M489 H490 R491 E495 G496 F498 L575 | M402-I493 HydrophobicContact SD-CD1 4.12Å; M402-I493 HydrophobicContact SD-CG2 4.29Å; M489-I493 VanDerWaalsContact O-CG1 3.23Å; M489-I493 WeakPolarHBondContact O-CG1 3.3Å; M489-I493 PolarHBondContact O-N 2.8Å; H490-I493 PolarHBondContact O-N 3.18Å; R491-I493 VanDerWaalsContact C-N 3.28Å; R491-I493 PolarHBondContact O-N 3Å; I493-E495 VanDerWaalsContact C-N 3.27Å; I493-E495 PolarHBondContact O-N 2.91Å; I493-G496 PolarHBondContact O-N 3.42Å; I493-F498 HydrophobicContact CB-CB 4.19Å; I493-F498 HydrophobicContact CD1-CD2 3.86Å; I493-F498 HydrophobicContact CD1-CE2 4.01Å; I493-F498 HydrophobicContact CD1-CG 4.24Å; I493-F498 HydrophobicContact CG1-CB 3.51Å; I493-F498 HydrophobicContact CG1-CD1 4.15Å; I493-F498 HydrophobicContact CG1-CD2 3.29Å; I493-F498 HydrophobicContact CG1-CE2 3.97Å; I493-F498 HydrophobicContact CG1-CG 3.37Å; I493-L575 HydrophobicContact CD1-CD1 3.78Å; I493-L575 HydrophobicContact CD1-CD2 3.99Å; I493-L575 HydrophobicContact CG1-CD1 4.21Å |
| 494 | S | 73.8 | Confident | 72.1 | Confident | 86 Ų | 86 | 60.2 Ų | 60.2 | 60% | 0.601 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.9 | -31.4 | -179.6 | 73 | 0 | 0 | 0 | 0 | 113.3 | H490 R491 G496 | H490-S494 WeakPolarHBondContact O-CB 3.03Å; H490-S494 PolarHBondContact O-N 2.67Å; H490-S494 PolarHBondContact O-OG 2.98Å; R491-S494 WeakPolarHBondContact CA-OG 3.48Å; R491-S494 PolarHBondContact O-N 2.83Å; R491-S494 VanDerWaalsContact O-N 3.15Å; R491-S494 PolarHBondContact O-OG 2.52Å; S494-G496 VanDerWaalsContact C-N 3.28Å |
| 495 | E | 74.7 | Confident | 72.3 | Confident | 101 Ų | 101 | 52.3 Ų | 52.3 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.4 | 175.5 | -69.6 | 178.3 | -176.1 | 0 | 0 | 112.4 | R491 S492 I493 N497 | R491-E495 HydrophobicContact CG-CG 4.33Å; R491-E495 WeakPolarHBondContact CG-OE1 3.44Å; R491-E495 IonicContact CZ-OE1 3.87Å; R491-E495 IonicContact NE-OE1 2.71Å; R491-E495 PolarHBondContact NE-OE1 2.79Å; R491-E495 IonicContact NH2-OE1 3.47Å; R491-E495 WeakPolarHBondContact O-CB 3.38Å; R491-E495 WeakPolarHBondContact O-CG 3.29Å; R491-E495 PolarHBondContact O-N 3.27Å; S492-E495 PolarHBondContact O-N 2.87Å; I493-E495 VanDerWaalsContact C-N 3.27Å; I493-E495 PolarHBondContact O-N 2.91Å; E495-N497 PolarHBondContact O-N 3.02Å |
| 496 | G | 65.6 | Low | 72.6 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 14.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | S492 I493 S494 | S492-G496 PolarHBondContact O-N 2.84Å; S492-G496 VanDerWaalsContact O-N 3.13Å; I493-G496 PolarHBondContact O-N 3.42Å; S494-G496 VanDerWaalsContact C-N 3.28Å |
| 497 | N | 62.2 | Low | 72.8 | Confident | 116 Ų | 116 | 52.6 Ų | 52.6 | 62% | 0.62 | 28% | 0.28 | S | S | * | . | trans | -106.2 | 10.6 | -178.3 | -67.8 | -33.1 | 0 | 0 | 0 | 112.9 | S492 E495 | S492-N497 CarbonylContact O-C 3.56Å; S492-N497 PolarHBondContact O-N 2.84Å; E495-N497 PolarHBondContact O-N 3.02Å | ||
| 498 | F | 61.1 | Low | 73.1 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 18% | 0.18 | 26% | 0.258 | C | S | . | . | trans | -65.9 | 134.4 | -178 | -179.9 | -94.7 | 0 | 0 | 0 | 112 | M489 S492 I493 Q500 H503 L575 | M489-F498 HydrophobicContact CB-CD2 4.39Å; M489-F498 HydrophobicContact CB-CE2 3.92Å; M489-F498 HydrophobicContact CG-CD2 4.44Å; M489-F498 HydrophobicContact CG-CE2 3.69Å; M489-F498 HydrophobicContact SD-CE2 3.87Å; M489-F498 HydrophobicContact SD-CZ 4.31Å; S492-F498 PolarHBondContact O-N 3.13Å; S492-F498 WeakPolarHBondContact OG-CD2 3.29Å; I493-F498 HydrophobicContact CB-CB 4.19Å; I493-F498 HydrophobicContact CD1-CD2 3.86Å; I493-F498 HydrophobicContact CD1-CE2 4.01Å; I493-F498 HydrophobicContact CD1-CG 4.24Å; I493-F498 HydrophobicContact CG1-CB 3.51Å; I493-F498 HydrophobicContact CG1-CD1 4.15Å; I493-F498 HydrophobicContact CG1-CD2 3.29Å; I493-F498 HydrophobicContact CG1-CE2 3.97Å; I493-F498 HydrophobicContact CG1-CG 3.37Å; F498-Q500 HydrophobicContact CE1-CB 3.92Å; F498-Q500 HydrophobicContact CZ-CB 4.4Å; F498-H503 AromaticContact CD2-CD2 3.76Å; F498-H503 AromaticContact CD2-NE2 3.74Å; F498-H503 AromaticContact CE2-CD2 3.35Å; F498-H503 WeakPolarHBondContact CE2-CD2 3.42Å; F498-H503 AromaticContact CE2-NE2 3.83Å; F498-H503 AromaticContact CZ-CD2 3.99Å; F498-L575 HydrophobicContact CD1-CD1 3.5Å; F498-L575 VanDerWaalsContact CD1-CD1 3.5Å; F498-L575 HydrophobicContact CE1-CD1 3.06Å; F498-L575 HydrophobicContact CE1-CG 3.8Å; F498-L575 HydrophobicContact CE2-CD1 4.11Å; F498-L575 HydrophobicContact CG-CD1 4.22Å; F498-L575 HydrophobicContact CZ-CD1 3.4Å; F498-L575 HydrophobicContact CZ-CD2 4.28Å; F498-L575 HydrophobicContact CZ-CG 3.79Å | ||
| 499 | N | 61.1 | Low | 73.6 | Confident | 46 Ų | 46 | 44.8 Ų | 44.8 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | trans | -130.4 | 122.5 | 169.6 | -136.2 | -47.1 | 0 | 0 | 0 | 109.7 | L344 Y501 D502 H503 | L344-N499 HydrophobicContact CD1-CB 4.1Å; L344-N499 WeakPolarHBondContact CD1-ND2 3.38Å; N499-Y501 PolarHBondContact O-N 3.33Å; N499-D502 HydrophobicContact CB-CB 4.44Å; N499-D502 WeakPolarHBondContact CB-OD2 3.41Å; N499-D502 PolarHBondContact O-N 3.18Å; N499-H503 PolarHBondContact O-CD2 2.96Å | ||
| 500 | Q | 58.6 | Low | 74 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -57.8 | -27.8 | -175.7 | 70.7 | -171.8 | 6 | 0 | 0 | 113.4 | F498 N578 N585 | F498-Q500 HydrophobicContact CE1-CB 3.92Å; F498-Q500 HydrophobicContact CZ-CB 4.4Å; Q500-N578 PolarHBondContact OE1-ND2 3.15Å; Q500-N585 PolarHBondContact NE2-OD1 3.23Å |
| 501 | Y | 57.6 | Low | 74 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -82.5 | -14 | -177.7 | -52.6 | -79.4 | 0 | 0 | 0 | 114.3 | K341 L345 N499 H503 N585 | K341-Y501 HydrophobicContact CD-CE2 4.44Å; K341-Y501 VanDerWaalsContact CE-CE2 3.48Å; K341-Y501 VanDerWaalsContact CE-OH 3.32Å; K341-Y501 WeakPolarHBondContact CE-OH 3.24Å; K341-Y501 HydrophobicContact CG-CE2 4.2Å; L345-Y501 HydrophobicContact CD2-CD1 3.96Å; L345-Y501 HydrophobicContact CD2-CE1 3.62Å; N499-Y501 PolarHBondContact O-N 3.33Å; Y501-H503 PolarHBondContact O-N 2.91Å; Y501-N585 PolarHBondContact OH-OD1 2.77Å |
| 502 | D | 61.7 | Low | 73.8 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -79 | -8.2 | 179.2 | -75.8 | -31 | 0 | 0 | 0 | 112.3 | L344 N499 | L344-D502 WeakPolarHBondContact CD2-OD1 2.97Å; N499-D502 HydrophobicContact CB-CB 4.44Å; N499-D502 WeakPolarHBondContact CB-OD2 3.41Å; N499-D502 PolarHBondContact O-N 3.18Å |
| 503 | H | 67.7 | Low | 73.3 | Confident | 14 Ų | 14 | 34.3 Ų | 34.3 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | trans | -125.5 | 64.8 | -166.4 | -54.6 | -60.5 | 0 | 0 | 0 | 112 | M489 S492 F498 N499 Y501 | M489-H503 HydrophobicContact CE-CB 4.13Å; M489-H503 HydrophobicContact CG-CB 3.57Å; M489-H503 VanDerWaalsContact CG-CD2 3.42Å; M489-H503 WeakPolarHBondContact CG-CD2 3.32Å; M489-H503 HydrophobicContact SD-CB 3.51Å; M489-H503 VanDerWaalsContact SD-CB 3.51Å; S492-H503 PolarHBondContact OG-NE2 3.04Å; F498-H503 AromaticContact CD2-CD2 3.76Å; F498-H503 AromaticContact CD2-NE2 3.74Å; F498-H503 AromaticContact CE2-CD2 3.35Å; F498-H503 WeakPolarHBondContact CE2-CD2 3.42Å; F498-H503 AromaticContact CE2-NE2 3.83Å; F498-H503 AromaticContact CZ-CD2 3.99Å; N499-H503 PolarHBondContact O-CD2 2.96Å; Y501-H503 PolarHBondContact O-N 2.91Å | ||
| 504 | V | 76.5 | Confident | 72.6 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 11% | 0.109 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.2 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | L409 R506 E570 I571 | L409-V504 HydrophobicContact CD1-CG1 4.04Å; L409-V504 HydrophobicContact CD1-CG2 3.96Å; V504-R506 HydrophobicContact CG1-CG 4.39Å; V504-E570 HydrophobicContact CG1-CB 4.24Å; V504-I571 WeakPolarHBondContact CA-O 3.48Å |
| 505 | A | 83.5 | Confident | 71.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | D482 I571 Y573 | D482-A505 WeakPolarHBondContact OD2-CB 3.23Å; A505-I571 HydrophobicContact CB-CD1 4.25Å; A505-I571 HydrophobicContact CB-CG1 3.8Å; A505-I571 PolarHBondContact N-O 2.72Å; A505-I571 PolarHBondContact O-N 2.65Å; A505-Y573 HydrophobicContact CB-CE2 4.03Å |
| 506 | R | 86.4 | Confident | 69.9 | Low | 29 Ų | 29 | 29.6 Ų | 29.6 | 11% | 0.109 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.8 | 176.2 | -55.5 | -174.4 | 178 | 93.4 | 1.1 | 108.7 | E351 C448 V504 V569 E570 | E351-R506 IonicContact OE2-CZ 2.68Å; E351-R506 IonicContact OE2-NH1 3.73Å; E351-R506 IonicContact OE2-NH2 3.74Å; E351-R506 PolarHBondContact OE2-NH2 3.2Å; C448-R506 HydrophobicContact CB-CB 3.9Å; C448-R506 WeakPolarHBondContact CB-O 3.01Å; C448-R506 PolarHBondContact N-O 2.88Å; V504-R506 HydrophobicContact CG1-CG 4.39Å; R506-V569 WeakPolarHBondContact CA-O 3.09Å; R506-E570 WeakPolarHBondContact CD-OE1 3.1Å; R506-E570 HydrophobicContact CG-CG 4.07Å; R506-E570 IonicContact CZ-OE1 2.67Å; R506-E570 IonicContact NE-OE1 2.88Å; R506-E570 PolarHBondContact NE-OE1 3.32Å; R506-E570 IonicContact NH2-OE1 2.87Å |
| 507 | L | 88.9 | Confident | 68.9 | Low | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.4 | -171.2 | -53 | 175.2 | 0 | 0 | 0 | 110.1 | L389 F445 L446 V447 L478 L509 L568 V569 I571 | L389-L507 HydrophobicContact CD2-CD1 4.2Å; F445-L507 HydrophobicContact CD1-CD1 4.43Å; L446-L507 CarbonylContact O-C 3.54Å; L446-L507 WeakPolarHBondContact O-CA 3.31Å; V447-L507 HydrophobicContact CB-CD2 4.41Å; V447-L507 HydrophobicContact CG2-CD2 3.67Å; L478-L507 HydrophobicContact CD1-CD1 3.61Å; L478-L507 HydrophobicContact CD1-CD2 4.02Å; L478-L507 HydrophobicContact CD1-CG 4.48Å; L507-L509 HydrophobicContact CB-CD1 3.95Å; L507-L568 VanDerWaalsContact O-CA 3.31Å; L507-L568 WeakPolarHBondContact O-CA 3.34Å; L507-V569 HydrophobicContact CB-CB 4.47Å; L507-V569 PolarHBondContact N-O 2.9Å; L507-V569 PolarHBondContact O-N 3.06Å; L507-I571 HydrophobicContact CD1-CD1 3.78Å; L507-I571 HydrophobicContact CD1-CG1 4.2Å; L507-I571 HydrophobicContact CD1-CG2 4.46Å |
| 508 | V | 89.1 | Confident | 67.9 | Low | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128.4 | 153.3 | -162.1 | 0 | 0 | 0 | 0 | 107.9 | F445 L446 Y458 M510 P565 F567 | F445-V508 WeakPolarHBondContact CA-O 3.22Å; L446-V508 HydrophobicContact CB-CB 4.06Å; L446-V508 HydrophobicContact CB-CG2 4.19Å; L446-V508 HydrophobicContact CD2-CG2 4.02Å; L446-V508 HydrophobicContact CG-CG2 4.48Å; L446-V508 PolarHBondContact N-O 2.89Å; L446-V508 PolarHBondContact O-N 3.03Å; Y458-V508 HydrophobicContact CD2-CG2 3.72Å; Y458-V508 HydrophobicContact CE2-CB 4.31Å; Y458-V508 HydrophobicContact CE2-CG2 3.02Å; Y458-V508 WeakPolarHBondContact OH-CG2 3.46Å; V508-M510 HydrophobicContact CG1-CG 4.3Å; V508-M510 HydrophobicContact CG1-SD 3.8Å; V508-P565 HydrophobicContact CG1-CB 3.52Å; V508-F567 WeakPolarHBondContact CA-O 3.26Å |
| 509 | L | 90.6 | Very high | 66.7 | Low | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.3 | 165.1 | -79.9 | 61 | 0 | 0 | 0 | 107.8 | F388 Y443 F445 L507 E566 F567 V569 | F388-L509 HydrophobicContact CD1-CD2 4.32Å; F388-L509 HydrophobicContact CE1-CD2 4.21Å; Y443-L509 HydrophobicContact CD1-CB 3.89Å; Y443-L509 HydrophobicContact CG-CB 4.41Å; F445-L509 HydrophobicContact CD1-CD1 3.79Å; F445-L509 HydrophobicContact CD1-CG 3.9Å; F445-L509 HydrophobicContact CE1-CD1 3.93Å; F445-L509 HydrophobicContact CE1-CD2 4.22Å; F445-L509 HydrophobicContact CE1-CG 3.8Å; L507-L509 HydrophobicContact CB-CD1 3.95Å; L509-E566 PolarHBondContact O-N 3.26Å; L509-F567 HydrophobicContact CB-CB 4.1Å; L509-F567 HydrophobicContact CD2-CB 4.41Å; L509-F567 PolarHBondContact N-O 3.15Å; L509-F567 PolarHBondContact O-N 3.25Å; L509-V569 HydrophobicContact CD1-CB 4.43Å; L509-V569 HydrophobicContact CD1-CG2 3.68Å; L509-V569 HydrophobicContact CD2-CG2 4.39Å |
| 510 | M | 86 | Confident | 65.3 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.9 | 177.7 | -60.9 | -71 | -65 | 0 | 0 | 108.5 | Y443 L444 I461 L466 L474 V508 L563 Y564 P565 | Y443-M510 WeakPolarHBondContact CA-O 3.1Å; L444-M510 HydrophobicContact CB-CB 4.47Å; L444-M510 PolarHBondContact N-O 2.88Å; L444-M510 PolarHBondContact O-N 3.31Å; I461-M510 HydrophobicContact CG2-SD 4.5Å; L466-M510 HydrophobicContact CB-CE 4.06Å; L474-M510 HydrophobicContact CD2-CG 4.18Å; V508-M510 HydrophobicContact CG1-CG 4.3Å; V508-M510 HydrophobicContact CG1-SD 3.8Å; M510-L563 HydrophobicContact CB-CD2 3.81Å; M510-L563 HydrophobicContact CE-CB 3.89Å; M510-L563 HydrophobicContact CE-CD2 4.39Å; M510-Y564 CarbonylContact C-O 3.3Å; M510-Y564 VanDerWaalsContact CA-O 3.32Å; M510-Y564 WeakPolarHBondContact CA-O 3.32Å; M510-P565 HydrophobicContact SD-CB 3.84Å; M510-P565 HydrophobicContact SD-CG 4.49Å |
| 511 | N | 81.8 | Confident | 64.2 | Low | 11 Ų | 11 | 50.5 Ų | 50.5 | 6% | 0.059 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.5 | 174.8 | -173 | -23.7 | 0 | 0 | 0 | 109.4 | Y443 L563 Y564 E566 | Y443-N511 HydrophobicContact CD1-CB 4.04Å; Y443-N511 HydrophobicContact CE1-CB 3.65Å; N511-L563 WeakPolarHBondContact O-CA 3.18Å; N511-Y564 HydrophobicContact CB-CD1 3.83Å; N511-Y564 HydrophobicContact CB-CE1 3.45Å; N511-Y564 VanDerWaalsContact CB-CE1 3.45Å; N511-Y564 PolarHBondContact N-O 2.77Å; N511-Y564 PolarHBondContact ND2-OH 3.48Å; N511-Y564 PolarHBondContact O-N 3Å; N511-E566 HydrophobicContact CB-CB 4.44Å; N511-E566 WeakPolarHBondContact CB-OE2 3.42Å; N511-E566 PolarHBondContact ND2-OE2 3.29Å |
| 512 | V | 74.6 | Confident | 63 | Low | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.6 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | S441 D442 L444 M514 L557 L563 | S441-V512 CarbonylContact C-O 3.53Å; S441-V512 VanDerWaalsContact CA-O 3.29Å; S441-V512 WeakPolarHBondContact CA-O 3.46Å; D442-V512 PolarHBondContact N-O 3.4Å; D442-V512 PolarHBondContact O-N 3.12Å; L444-V512 HydrophobicContact CD1-CG2 3.81Å; L444-V512 HydrophobicContact CG-CG2 3.73Å; V512-M514 HydrophobicContact CG1-CE 4.22Å; V512-M514 HydrophobicContact CG1-CG 3.97Å; V512-L557 HydrophobicContact CG1-CD2 4.01Å; V512-L557 HydrophobicContact CG2-CD2 4.27Å; V512-L563 HydrophobicContact CG2-CD2 3.19Å; V512-L563 HydrophobicContact CG2-CG 3.91Å |
| 513 | S | 65.2 | Low | 61.7 | Low | 9 Ų | 9 | 58.5 Ų | 58.5 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.4 | 166.9 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | H423 K427 | H423-S513 PolarHBondContact CE1-OG 3.14Å; K427-S513 WeakPolarHBondContact CE-OG 3.33Å |
| 514 | M | 57.5 | Low | 60 | Low | 31 Ų | 31 | 65.9 Ų | 65.9 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 137.4 | 175.8 | -58.6 | -157.1 | -152.5 | 0 | 0 | 111.6 | T439 F440 V512 P555 | T439-M514 CarbonylContact C-O 3.55Å; T439-M514 VanDerWaalsContact CA-O 3.23Å; T439-M514 WeakPolarHBondContact CA-O 3.41Å; F440-M514 PolarHBondContact N-O 2.89Å; F440-M514 PolarHBondContact O-N 3.48Å; V512-M514 HydrophobicContact CG1-CE 4.22Å; V512-M514 HydrophobicContact CG1-CG 3.97Å; M514-P555 VanDerWaalsContact CE-CA 3.5Å; M514-P555 HydrophobicContact CE-CB 3.39Å; M514-P555 HydrophobicContact CE-CG 3.78Å; M514-P555 HydrophobicContact SD-CB 4.26Å |
| 515 | P | 51.5 | Low | 57.9 | Low | 54 Ų | 54 | 71.7 Ų | 71.7 | 35% | 0.351 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 131.7 | 164.8 | 27.9 | -29.5 | 0 | 0 | 0 | 110 | N517 | P515-N517 PolarHBondContact O-N 3.15Å; P515-N517 VanDerWaalsContact O-N 3.07Å |
| 516 | I | 41.5 | Very low | 55.5 | Low | 54 Ų | 54 | 79.4 Ų | 79.4 | 28% | 0.277 | 41% | 0.413 | S | S | . | . | trans | -72.5 | 102.5 | 173.3 | -66.5 | 170.1 | 0 | 0 | 0 | 108.4 | S437 S438 F440 H518 | S437-I516 WeakPolarHBondContact CB-O 3.14Å; S438-I516 VanDerWaalsContact O-CB 3.26Å; S438-I516 WeakPolarHBondContact O-CB 3.33Å; S438-I516 WeakPolarHBondContact O-CD1 3.37Å; S438-I516 WeakPolarHBondContact O-CG1 3.28Å; S438-I516 PolarHBondContact O-N 3.42Å; S438-I516 WeakPolarHBondContact OG-CD1 3.45Å; F440-I516 HydrophobicContact CB-CG1 4.46Å; I516-H518 VanDerWaalsContact CG2-CD2 3.42Å; I516-H518 WeakPolarHBondContact CG2-CD2 3.42Å | ||
| 517 | N | 44.7 | Very low | 52.9 | Low | 102 Ų | 102 | 85.5 Ų | 85.5 | 55% | 0.545 | 45% | 0.447 | S | S | . | . | trans | -93.8 | 97.8 | 169.3 | -117.5 | -4.8 | 0 | 0 | 0 | 109 | P515 N519 | P515-N517 PolarHBondContact O-N 3.15Å; P515-N517 VanDerWaalsContact O-N 3.07Å; N517-N519 PolarHBondContact O-N 2.76Å | ||
| 518 | H | 39.5 | Very low | 50.2 | Low | 162 Ų | 162 | 94.1 Ų | 94.1 | 75% | 0.75 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -4.7 | -177.2 | -101.6 | -58.7 | 0 | 0 | 0 | 114.9 | I516 | I516-H518 VanDerWaalsContact CG2-CD2 3.42Å; I516-H518 WeakPolarHBondContact CG2-CD2 3.42Å |
| 519 | N | 36 | Very low | 47.3 | Very low | 135 Ų | 135 | 101.7 Ų | 101.7 | 72% | 0.722 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 2.4 | -167.6 | -73.9 | -2.4 | 0 | 0 | 0 | 116.5 | N517 M521 | N517-N519 PolarHBondContact O-N 2.76Å; N519-M521 PolarHBondContact O-N 3.03Å; N519-M521 VanDerWaalsContact O-N 3.1Å |
| 520 | M | 32.5 | Very low | 44.5 | Very low | 155 Ų | 155 | 109.4 Ų | 109.4 | 76% | 0.764 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 22.2 | -177.7 | -82.6 | -71.1 | -165.2 | 0 | 0 | 115.7 | ||
| 521 | M | 35.1 | Very low | 41.9 | Very low | 175 Ų | 175 | 116.4 Ų | 116.4 | 86% | 0.862 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -3 | 169.8 | -83 | -69.9 | 175.8 | 0 | 0 | 114.2 | N519 | N519-M521 PolarHBondContact O-N 3.03Å; N519-M521 VanDerWaalsContact O-N 3.1Å |
| 522 | N | 33.7 | Very low | 39.5 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 77% | 0.765 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -152.4 | 91.7 | 173.7 | -80.2 | -38.3 | 0 | 0 | 0 | 109.5 | ||
| 523 | D | 32.5 | Very low | 37.4 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | trans | -160.2 | 87.5 | 151.3 | -93.3 | -32.4 | 0 | 0 | 0 | 110 | N525 | D523-N525 PolarHBondContact O-N 2.89Å; D523-N525 VanDerWaalsContact O-N 3.11Å | ||
| 524 | N | 33.1 | Very low | 36.1 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 90% | 0.904 | 68% | 0.678 | S | S | * | * | trans | -73.2 | 82.6 | 157.1 | -77.7 | -31.7 | 0 | 0 | 0 | 107.6 | ||||
| 525 | N | 32 | Very low | 35 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | -142.1 | 102.3 | 163.1 | -84 | -39.8 | 0 | 0 | 0 | 109.5 | D523 D527 | D523-N525 PolarHBondContact O-N 2.89Å; D523-N525 VanDerWaalsContact O-N 3.11Å; N525-D527 PolarHBondContact O-N 3.19Å | ||
| 526 | N | 33.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | trans | -67.8 | 104.5 | 166.5 | -70.2 | -42.5 | 0 | 0 | 0 | 107.9 | ||||
| 527 | D | 31.2 | Very low | 34.4 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | trans | -148.2 | 143.5 | 153.2 | -91.6 | -38.9 | 0 | 0 | 0 | 111.6 | N525 | N525-D527 PolarHBondContact O-N 3.19Š| ||
| 528 | K | 31.7 | Very low | 34.1 | Very low | 182 Ų | 182 | 138.6 Ų | 138.6 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | -72.1 | 150.2 | -162.8 | -58 | 160.6 | 178.1 | 174.5 | 0 | 112.7 | ||||
| 529 | E | 29.5 | Very low | 34.5 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | 160.3 | 125.2 | 113.8 | -85.3 | 175.4 | -179.3 | 0 | 0 | 112.5 | E531 | E529-E531 PolarHBondContact O-N 3.14Š| |||
| 530 | D | 32.3 | Very low | 34.8 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | trans | 45.7 | 52.6 | 147.5 | -65.4 | -11.3 | 0 | 0 | 0 | 122.6 | ||||
| 531 | E | 31.5 | Very low | 35 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | trans | -114.5 | 119.5 | 160.6 | -69.4 | -170.2 | 171.9 | 0 | 0 | 111.5 | E529 F533 | E529-E531 PolarHBondContact O-N 3.14Å; E531-F533 VanDerWaalsContact C-N 3.34Å; E531-F533 WeakPolarHBondContact O-CD2 3.19Å; E531-F533 PolarHBondContact O-N 2.99Å | ||
| 532 | T | 30.7 | Very low | 35.1 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 90% | 0.902 | 67% | 0.669 | S | S | * | * | trans | -64.8 | 87.8 | -179.2 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 533 | F | 30.9 | Very low | 35.6 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 74% | 0.737 | 67% | 0.673 | S | S | * | * | trans | -52.2 | 138.8 | 169.8 | -87.3 | -91.3 | 0 | 0 | 0 | 110.4 | E531 E535 | E531-F533 VanDerWaalsContact C-N 3.34Å; E531-F533 WeakPolarHBondContact O-CD2 3.19Å; E531-F533 PolarHBondContact O-N 2.99Å; F533-E535 PolarHBondContact O-N 3.38Å | ||
| 534 | V | 37.6 | Very low | 36.3 | Very low | 42 Ų | 42 | 132.7 Ų | 132.7 | 26% | 0.255 | 66% | 0.659 | S | S | . | * | trans | -65.6 | 75.2 | 174.6 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | M468 N536 A537 L557 | M468-V534 HydrophobicContact CE-CG1 3.88Å; M468-V534 HydrophobicContact CE-CG2 4.37Å; V534-N536 PolarHBondContact O-N 3.44Å; V534-A537 HydrophobicContact CG1-CB 4.01Å; V534-L557 WeakPolarHBondContact CG2-O 3.45Å | ||
| 535 | E | 34.2 | Very low | 37.4 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -14.4 | 172.6 | -80 | -169.3 | 152.1 | 0 | 0 | 112.2 | F533 | F533-E535 PolarHBondContact O-N 3.38Š|
| 536 | N | 37.9 | Very low | 38.9 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 41% | 0.412 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -17.1 | -174.7 | -73.5 | -14.2 | 0 | 0 | 0 | 114.6 | V534 | V534-N536 PolarHBondContact O-N 3.44Š|
| 537 | A | 42.8 | Very low | 40.5 | Very low | 12 Ų | 12 | 125.7 Ų | 125.7 | 10% | 0.099 | 63% | 0.628 | C | S | . | * | S | Bend | trans | -91.2 | 109.6 | 161 | 0 | 0 | 0 | 0 | 0 | 106.8 | V534 L539 | V534-A537 HydrophobicContact CG1-CB 4.01Å; A537-L539 PolarHBondContact O-N 3.14Å |
| 538 | L | 38.2 | Very low | 42.1 | Very low | 112 Ų | 112 | 121 Ų | 121 | 59% | 0.586 | 61% | 0.607 | S | S | * | * | trans | -65.6 | 80.9 | 174.4 | -78 | 160.8 | 0 | 0 | 0 | 109.4 | Y540 | L538-Y540 PolarHBondContact O-N 3.46Š| ||
| 539 | L | 46.7 | Very low | 43.4 | Very low | 42 Ų | 42 | 114.3 Ų | 114.3 | 22% | 0.22 | 58% | 0.579 | C | S | . | * | trans | -79.9 | 96.9 | 170.2 | -74.9 | 159.8 | 0 | 0 | 0 | 106.9 | A537 R554 | A537-L539 PolarHBondContact O-N 3.14Å; L539-R554 HydrophobicContact CD1-CG 4.31Å | ||
| 540 | Y | 42.4 | Very low | 44.8 | Very low | 192 Ų | 192 | 110.8 Ų | 110.8 | 75% | 0.753 | 57% | 0.572 | S | S | * | * | trans | -60.7 | 136.4 | -177.3 | -122 | -91 | 0 | 0 | 0 | 111.7 | L538 | L538-Y540 PolarHBondContact O-N 3.46Š| ||
| 541 | E | 36.7 | Very low | 45.9 | Very low | 125 Ų | 125 | 109 Ų | 109 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | trans | -97.9 | 142.7 | 171.9 | -75.8 | -176 | 177.1 | 0 | 0 | 111.6 | R554 | E541-R554 IonicContact OE1-CZ 3.85Å; E541-R554 IonicContact OE1-NH1 3.53Å; E541-R554 PolarHBondContact OE1-NH1 3.13Å; E541-R554 IonicContact OE1-NH2 2.82Å; E541-R554 PolarHBondContact OE1-NH2 3.46Å | ||
| 542 | K | 38.7 | Very low | 46.9 | Very low | 179 Ų | 179 | 104.7 Ų | 104.7 | 78% | 0.778 | 54% | 0.542 | S | S | * | . | trans | 82 | 108.2 | 164.9 | -69.3 | -177.1 | 177.9 | 177.5 | 0 | 120.3 | ||||
| 543 | Q | 42.9 | Very low | 47.9 | Very low | 182 Ų | 182 | 104.2 Ų | 104.2 | 85% | 0.85 | 53% | 0.53 | S | S | * | . | 60.8 | 94.5 | 126.1 | -65.2 | -178.6 | -21.8 | 0 | 0 | 118.6 | |||||
| 544 | S | 47.1 | Very low | 48.8 | Very low | 57 Ų | 57 | 103 Ų | 103 | 40% | 0.399 | 52% | 0.52 | S | S | . | . | trans | -90.4 | 151.2 | 130 | 86.1 | 0 | 0 | 0 | 0 | 108.2 | C546 L549 | S544-C546 PolarHBondContact O-N 3.31Å; S544-C546 PolarHBondContact OG-N 2.94Å; S544-L549 WeakPolarHBondContact OG-CD1 3.38Å | ||
| 545 | S | 57.8 | Low | 49.5 | Very low | 133 Ų | 133 | 101.3 Ų | 101.3 | 93% | 0.93 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -71.6 | 0.2 | 175.3 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | H547 | S545-H547 PolarHBondContact O-N 2.91Š|
| 546 | C | 63.8 | Low | 50.3 | Low | 27 Ų | 27 | 97.3 Ų | 97.3 | 18% | 0.182 | 49% | 0.494 | C | S | . | . | trans | -77.2 | 125 | -174.7 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | H396 S544 C548 L549 | H396-C546 VanDerWaalsContact CB-SG 3.54Å; S544-C546 PolarHBondContact O-N 3.31Å; S544-C546 PolarHBondContact OG-N 2.94Å; C546-C548 PolarHBondContact O-N 3.1Å; C546-C548 VanDerWaalsContact O-N 3.08Å; C546-C548 VanDerWaalsContact SG-SG 3.63Å; C546-L549 PolarHBondContact O-N 3.4Å | ||
| 547 | H | 66.8 | Low | 51.1 | Low | 164 Ų | 164 | 94.5 Ų | 94.5 | 76% | 0.759 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -57 | -24.7 | 176.8 | -119.2 | 23.1 | 0 | 0 | 0 | 113.5 | S545 L549 S550 | S545-H547 PolarHBondContact O-N 2.91Å; H547-L549 PolarHBondContact O-N 3.14Å; H547-S550 VanDerWaalsContact O-CB 3.31Å; H547-S550 WeakPolarHBondContact O-CB 3.33Å; H547-S550 PolarHBondContact O-N 3.27Å; H547-S550 VanDerWaalsContact O-N 3.11Å; H547-S550 PolarHBondContact O-OG 2.97Å |
| 548 | C | 64.8 | Low | 51.5 | Low | 59 Ų | 59 | 99.6 Ų | 99.6 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -59.9 | -29.8 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | C394 H396 C546 | C394-C548 HydrophobicContact CB-CB 4.14Å; H396-C548 PolarHBondContact ND1-SG 3.08Å; C546-C548 PolarHBondContact O-N 3.1Å; C546-C548 VanDerWaalsContact O-N 3.08Å; C546-C548 VanDerWaalsContact SG-SG 3.63Å |
| 549 | L | 58.6 | Low | 52.2 | Low | 40 Ų | 40 | 99.7 Ų | 99.7 | 21% | 0.209 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -87.7 | -4.9 | 179.9 | -79 | 152.1 | 0 | 0 | 0 | 113.2 | L480 S544 C546 H547 Q551 V552 | L480-L549 HydrophobicContact CD1-CD2 4.39Å; S544-L549 WeakPolarHBondContact OG-CD1 3.38Å; C546-L549 PolarHBondContact O-N 3.4Å; H547-L549 PolarHBondContact O-N 3.14Å; L549-Q551 PolarHBondContact O-N 2.96Å; L549-V552 HydrophobicContact CD2-CG2 3.68Å; L549-V552 WeakPolarHBondContact O-CB 3.4Å; L549-V552 PolarHBondContact O-N 3.43Å; L549-V552 VanDerWaalsContact O-N 3.07Å |
| 550 | S | 58.3 | Low | 52.5 | Low | 84 Ų | 84 | 99.6 Ų | 99.6 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -64.3 | -20 | 175.1 | 68 | 0 | 0 | 0 | 0 | 113.3 | H547 V552 | H547-S550 VanDerWaalsContact O-CB 3.31Å; H547-S550 WeakPolarHBondContact O-CB 3.33Å; H547-S550 PolarHBondContact O-N 3.27Å; H547-S550 VanDerWaalsContact O-N 3.11Å; H547-S550 PolarHBondContact O-OG 2.97Å; S550-V552 VanDerWaalsContact C-N 3.33Å |
| 551 | Q | 55.3 | Low | 53.2 | Low | 129 Ų | 129 | 94.7 Ų | 94.7 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -81.7 | -7.1 | 175 | -64.8 | -165.4 | -7.4 | 0 | 0 | 113.9 | L549 Q553 | L549-Q551 PolarHBondContact O-N 2.96Å; Q551-Q553 VanDerWaalsContact C-N 3.26Å; Q551-Q553 PolarHBondContact O-N 3Å |
| 552 | V | 53.3 | Low | 54.3 | Low | 55 Ų | 55 | 89.7 Ų | 89.7 | 33% | 0.333 | 46% | 0.459 | S | S | . | . | trans | -72.9 | 84.2 | 174.8 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | N476 L549 S550 | N476-V552 WeakPolarHBondContact OD1-CG1 3.49Å; L549-V552 HydrophobicContact CD2-CG2 3.68Å; L549-V552 WeakPolarHBondContact O-CB 3.4Å; L549-V552 PolarHBondContact O-N 3.43Å; L549-V552 VanDerWaalsContact O-N 3.07Å; S550-V552 VanDerWaalsContact C-N 3.33Å | ||
| 553 | Q | 50.7 | Low | 55.9 | Low | 138 Ų | 138 | 81.9 Ų | 81.9 | 65% | 0.645 | 43% | 0.425 | S | S | * | . | trans | -73.6 | 135 | 168.4 | -69 | -174 | -10.7 | 0 | 0 | 109.4 | Q551 P555 | Q551-Q553 VanDerWaalsContact C-N 3.26Å; Q551-Q553 PolarHBondContact O-N 3Å; Q553-P555 WeakPolarHBondContact O-CD 3.43Å | ||
| 554 | R | 51 | Low | 57.6 | Low | 142 Ų | 142 | 74.6 Ų | 74.6 | 54% | 0.536 | 39% | 0.39 | S | S | . | . | trans | -69.2 | 114.3 | 172.9 | -155 | 178.6 | -163.1 | 162.6 | 7.8 | 106.8 | L539 E541 D556 | L539-R554 HydrophobicContact CD1-CG 4.31Å; E541-R554 IonicContact OE1-CZ 3.85Å; E541-R554 IonicContact OE1-NH1 3.53Å; E541-R554 PolarHBondContact OE1-NH1 3.13Å; E541-R554 IonicContact OE1-NH2 2.82Å; E541-R554 PolarHBondContact OE1-NH2 3.46Å; R554-D556 PolarHBondContact O-N 3.49Å; R554-D556 VanDerWaalsContact O-N 3.16Å | ||
| 555 | P | 52.5 | Low | 59.6 | Low | 6 Ų | 6 | 71.9 Ų | 71.9 | 4% | 0.039 | 37% | 0.372 | C | S | . | . | trans | -64.9 | 118 | 173 | -19.9 | 34.9 | 0 | 0 | 0 | 108.1 | L444 M514 Q553 L557 | L444-P555 HydrophobicContact CD1-CG 4.14Å; L444-P555 HydrophobicContact CD2-CG 3.77Å; M514-P555 VanDerWaalsContact CE-CA 3.5Å; M514-P555 HydrophobicContact CE-CB 3.39Å; M514-P555 HydrophobicContact CE-CG 3.78Å; M514-P555 HydrophobicContact SD-CB 4.26Å; Q553-P555 WeakPolarHBondContact O-CD 3.43Å; P555-L557 HydrophobicContact CB-CD1 4.37Å; P555-L557 HydrophobicContact CB-CG 3.93Å; P555-L557 PolarHBondContact O-N 3.14Å | ||
| 556 | D | 51 | Low | 61.1 | Low | 89 Ų | 89 | 66.9 Ų | 66.9 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | trans | -70.4 | 81.5 | 161.6 | -90.8 | -11.3 | 0 | 0 | 0 | 107.2 | R554 F558 | R554-D556 PolarHBondContact O-N 3.49Å; R554-D556 VanDerWaalsContact O-N 3.16Å; D556-F558 HydrophobicContact CB-CD2 3.76Å; D556-F558 HydrophobicContact CB-CE2 3.56Å; D556-F558 PolarHBondContact O-N 3.37Å | ||
| 557 | L | 54.3 | Low | 62.5 | Low | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | trans | -73.1 | 71 | 172.3 | -75.2 | 164.6 | 0 | 0 | 0 | 107.9 | L444 V512 V534 P555 H559 L563 | L444-L557 HydrophobicContact CD1-CD1 4.08Å; V512-L557 HydrophobicContact CG1-CD2 4.01Å; V512-L557 HydrophobicContact CG2-CD2 4.27Å; V534-L557 WeakPolarHBondContact CG2-O 3.45Å; P555-L557 HydrophobicContact CB-CD1 4.37Å; P555-L557 HydrophobicContact CB-CG 3.93Å; P555-L557 PolarHBondContact O-N 3.14Å; L557-H559 PolarHBondContact O-N 3.32Å; L557-L563 HydrophobicContact CD1-CD1 3.94Å; L557-L563 HydrophobicContact CD2-CD1 3.42Å; L557-L563 VanDerWaalsContact CD2-CD1 3.42Å; L557-L563 HydrophobicContact CD2-CD2 4.23Å; L557-L563 HydrophobicContact CD2-CG 3.69Å; L557-L563 HydrophobicContact CG-CD1 4.27Å | ||
| 558 | F | 50.2 | Low | 63.7 | Low | 119 Ų | 119 | 58.8 Ų | 58.8 | 52% | 0.522 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -55.8 | -39.3 | 175.3 | -83 | -80.5 | 0 | 0 | 0 | 109.9 | D556 | D556-F558 HydrophobicContact CB-CD2 3.76Å; D556-F558 HydrophobicContact CB-CE2 3.56Å; D556-F558 PolarHBondContact O-N 3.37Å |
| 559 | H | 53.3 | Low | 64.9 | Low | 114 Ų | 114 | 56 Ų | 56 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | trans | -138.2 | 123.4 | 179.7 | -69.6 | 0.6 | 0 | 0 | 0 | 112.5 | L557 K561 L562 | L557-H559 PolarHBondContact O-N 3.32Å; H559-K561 HydrophobicContact CB-CB 4.26Å; H559-K561 PolarHBondContact O-N 3.02Å; H559-L562 PolarHBondContact O-N 2.78Å | ||
| 560 | S | 52.4 | Low | 66.4 | Low | 39 Ų | 39 | 54.4 Ų | 54.4 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -56.8 | -20.8 | 171.2 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | M468 L562 L563 | M468-S560 WeakPolarHBondContact SD-CB 3.35Å; S560-L562 PolarHBondContact O-N 3.17Å; S560-L563 WeakPolarHBondContact O-CB 3.37Å; S560-L563 PolarHBondContact O-N 3.33Å |
| 561 | K | 58.2 | Low | 67.8 | Low | 89 Ų | 89 | 50.4 Ų | 50.4 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -58.1 | -10.8 | 172.1 | -76.7 | -172.4 | 178.2 | -173.5 | 0 | 114.4 | E152 N426 H559 | E152-K561 IonicContact OE1-NZ 2.62Å; E152-K561 PolarHBondContact OE1-NZ 3.31Å; E152-K561 IonicContact OE2-NZ 2.58Å; E152-K561 PolarHBondContact OE2-NZ 2.97Å; N426-K561 WeakPolarHBondContact ND2-CB 3.33Å; N426-K561 PolarHBondContact ND2-O 2.96Å; N426-K561 VanDerWaalsContact ND2-O 3.11Å; H559-K561 HydrophobicContact CB-CB 4.26Å; H559-K561 PolarHBondContact O-N 3.02Å |
| 562 | L | 59.8 | Low | 69.3 | Low | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -104 | 9.4 | 175.6 | -60.1 | 173.9 | 0 | 0 | 0 | 114 | H423 N426 K427 H559 S560 | H423-L562 PolarHBondContact NE2-O 3.11Å; N426-L562 HydrophobicContact CB-CD2 4.12Å; K427-L562 HydrophobicContact CG-CD2 4.4Å; H559-L562 PolarHBondContact O-N 2.78Å; S560-L562 PolarHBondContact O-N 3.17Å |
| 563 | L | 71.9 | Confident | 70.8 | Confident | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.8 | 176.4 | -84 | 156.4 | 0 | 0 | 0 | 109.7 | L444 M510 N511 V512 L557 S560 | L444-L563 HydrophobicContact CD1-CD2 4.01Å; M510-L563 HydrophobicContact CB-CD2 3.81Å; M510-L563 HydrophobicContact CE-CB 3.89Å; M510-L563 HydrophobicContact CE-CD2 4.39Å; N511-L563 WeakPolarHBondContact O-CA 3.18Å; V512-L563 HydrophobicContact CG2-CD2 3.19Å; V512-L563 HydrophobicContact CG2-CG 3.91Å; L557-L563 HydrophobicContact CD1-CD1 3.94Å; L557-L563 HydrophobicContact CD2-CD1 3.42Å; L557-L563 VanDerWaalsContact CD2-CD1 3.42Å; L557-L563 HydrophobicContact CD2-CD2 4.23Å; L557-L563 HydrophobicContact CD2-CG 3.69Å; L557-L563 HydrophobicContact CG-CD1 4.27Å; S560-L563 WeakPolarHBondContact O-CB 3.37Å; S560-L563 PolarHBondContact O-N 3.33Å |
| 564 | Y | 79.4 | Confident | 72.2 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 11% | 0.114 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.4 | 172.9 | 79.2 | -78 | 0 | 0 | 0 | 113.1 | Q420 H423 M510 N511 E566 | Q420-Y564 HydrophobicContact CG-CE2 4.48Å; H423-Y564 HydrophobicContact CB-CD1 4.38Å; H423-Y564 AromaticContact CD2-CD1 3.03Å; H423-Y564 WeakPolarHBondContact CD2-CD1 3.49Å; H423-Y564 AromaticContact CD2-CE1 3.55Å; H423-Y564 AromaticContact CD2-CG 3.95Å; H423-Y564 AromaticContact CG-CD1 3.79Å; H423-Y564 AromaticContact NE2-CD1 3.61Å; H423-Y564 AromaticContact NE2-CE1 3.86Å; M510-Y564 CarbonylContact C-O 3.3Å; M510-Y564 VanDerWaalsContact CA-O 3.32Å; M510-Y564 WeakPolarHBondContact CA-O 3.32Å; N511-Y564 HydrophobicContact CB-CD1 3.83Å; N511-Y564 HydrophobicContact CB-CE1 3.45Å; N511-Y564 VanDerWaalsContact CB-CE1 3.45Å; N511-Y564 PolarHBondContact N-O 2.77Å; N511-Y564 PolarHBondContact ND2-OH 3.48Å; N511-Y564 PolarHBondContact O-N 3Å; Y564-E566 HydrophobicContact CD2-CB 4.32Å; Y564-E566 HydrophobicContact CE2-CB 3.73Å; Y564-E566 HydrophobicContact CE2-CG 4Å; Y564-E566 VanDerWaalsContact CZ-OE2 3.28Å; Y564-E566 PolarHBondContact O-N 2.83Å; Y564-E566 VanDerWaalsContact OH-CD 3.27Å; Y564-E566 PolarHBondContact OH-OE2 2.83Å |
| 565 | P | 88.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.3 | 176.1 | 29.4 | -34.2 | 0 | 0 | 0 | 110.1 | I414 L419 V508 M510 | I414-P565 HydrophobicContact CD1-CB 4.09Å; L419-P565 HydrophobicContact CD1-CG 4.03Å; V508-P565 HydrophobicContact CG1-CB 3.52Å; M510-P565 HydrophobicContact SD-CB 3.84Å; M510-P565 HydrophobicContact SD-CG 4.49Å |
| 566 | E | 89.5 | Confident | 74.6 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | -37.6 | -179.5 | -171 | 168.1 | 179.5 | 0 | 0 | 112.8 | I414 Y443 L509 N511 Y564 | I414-E566 WeakPolarHBondContact CB-O 3.45Å; I414-E566 PolarHBondContact N-O 3.39Å; Y443-E566 HydrophobicContact CE1-CB 4.22Å; Y443-E566 PolarHBondContact OH-OE2 2.96Å; L509-E566 PolarHBondContact O-N 3.26Å; N511-E566 HydrophobicContact CB-CB 4.44Å; N511-E566 WeakPolarHBondContact CB-OE2 3.42Å; N511-E566 PolarHBondContact ND2-OE2 3.29Å; Y564-E566 HydrophobicContact CD2-CB 4.32Å; Y564-E566 HydrophobicContact CE2-CB 3.73Å; Y564-E566 HydrophobicContact CE2-CG 4Å; Y564-E566 VanDerWaalsContact CZ-OE2 3.28Å; Y564-E566 PolarHBondContact O-N 2.83Å; Y564-E566 VanDerWaalsContact OH-CD 3.27Å; Y564-E566 PolarHBondContact OH-OE2 2.83Å |
| 567 | F | 92.8 | Very high | 75.1 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 10% | 0.096 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152 | 175.1 | -57.1 | -84.4 | 0 | 0 | 0 | 111.5 | L411 Y412 K413 Y443 V508 L509 V569 | L411-F567 HydrophobicContact CD1-CB 4.38Å; L411-F567 HydrophobicContact CD1-CD1 4.19Å; Y412-F567 CarbonylContact O-C 3.31Å; Y412-F567 VanDerWaalsContact O-CA 3.27Å; Y412-F567 WeakPolarHBondContact O-CA 3.42Å; K413-F567 HydrophobicContact CB-CD1 4.17Å; K413-F567 HydrophobicContact CB-CE1 4.05Å; K413-F567 HydrophobicContact CD-CE1 4.25Å; K413-F567 HydrophobicContact CG-CD1 4.36Å; K413-F567 HydrophobicContact CG-CE1 3.93Å; Y443-F567 HydrophobicContact CE1-CD2 4.05Å; Y443-F567 HydrophobicContact CE1-CE2 4.16Å; V508-F567 WeakPolarHBondContact CA-O 3.26Å; L509-F567 HydrophobicContact CB-CB 4.1Å; L509-F567 HydrophobicContact CD2-CB 4.41Å; L509-F567 PolarHBondContact N-O 3.15Å; L509-F567 PolarHBondContact O-N 3.25Å; F567-V569 HydrophobicContact CB-CG2 4.46Å |
| 568 | L | 91 | Very high | 75.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.8 | 169.3 | 146.7 | 71.8 | 0 | 0 | 0 | 106.6 | Y355 I359 Y412 I414 Y458 L507 | Y355-L568 HydrophobicContact CE1-CD1 4.21Å; Y355-L568 HydrophobicContact CE1-CD2 3.73Å; Y355-L568 HydrophobicContact CE1-CG 4.44Å; Y355-L568 WeakPolarHBondContact OH-CD1 3.41Å; Y355-L568 WeakPolarHBondContact OH-CD2 3.39Å; Y355-L568 WeakPolarHBondContact OH-CG 3.43Å; I359-L568 HydrophobicContact CD1-CD2 4.07Å; Y412-L568 HydrophobicContact CD2-CD2 3.45Å; Y412-L568 VanDerWaalsContact CD2-CD2 3.45Å; Y412-L568 HydrophobicContact CD2-CG 3.66Å; Y412-L568 HydrophobicContact CE2-CD2 4.14Å; Y412-L568 HydrophobicContact CE2-CG 4.49Å; Y412-L568 HydrophobicContact CG-CD2 3.71Å; Y412-L568 HydrophobicContact CG-CG 4.19Å; Y412-L568 PolarHBondContact N-O 3.24Å; Y412-L568 PolarHBondContact O-N 2.95Å; I414-L568 HydrophobicContact CD1-CB 4.05Å; I414-L568 HydrophobicContact CG1-CB 4.42Å; Y458-L568 HydrophobicContact CE1-CD1 4.21Å; Y458-L568 WeakPolarHBondContact OH-CB 3.31Å; Y458-L568 WeakPolarHBondContact OH-CD1 3.3Å; L507-L568 VanDerWaalsContact O-CA 3.31Å; L507-L568 WeakPolarHBondContact O-CA 3.34Å |
| 569 | V | 91.4 | Very high | 74.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.2 | -176.3 | -164.1 | 0 | 0 | 0 | 0 | 109.5 | L389 I408 H410 L411 R506 L507 L509 F567 I571 | L389-V569 HydrophobicContact CD1-CG1 3.88Å; I408-V569 HydrophobicContact CD1-CG1 4.43Å; I408-V569 HydrophobicContact CG1-CG1 4.19Å; I408-V569 HydrophobicContact CG2-CG1 3.97Å; H410-V569 WeakPolarHBondContact O-CA 3.43Å; L411-V569 HydrophobicContact CD1-CG2 3.69Å; R506-V569 WeakPolarHBondContact CA-O 3.09Å; L507-V569 HydrophobicContact CB-CB 4.47Å; L507-V569 PolarHBondContact N-O 2.9Å; L507-V569 PolarHBondContact O-N 3.06Å; L509-V569 HydrophobicContact CD1-CB 4.43Å; L509-V569 HydrophobicContact CD1-CG2 3.68Å; L509-V569 HydrophobicContact CD2-CG2 4.39Å; F567-V569 HydrophobicContact CB-CG2 4.46Å; V569-I571 HydrophobicContact CB-CG2 4.47Å; V569-I571 HydrophobicContact CG1-CG2 3.58Å |
| 570 | E | 88.7 | Confident | 74.5 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.1 | 166.5 | -59.3 | -168.3 | 100.5 | 0 | 0 | 108.1 | L409 H410 V504 R506 | L409-E570 HydrophobicContact CB-CB 4.24Å; L409-E570 PolarHBondContact N-O 2.95Å; H410-E570 HydrophobicContact CB-CB 4.36Å; H410-E570 HydrophobicContact CB-CG 4.47Å; H410-E570 IonicContact CD2-OE2 3.89Å; H410-E570 PolarHBondContact CD2-OE2 2.93Å; H410-E570 VanDerWaalsContact CD2-OE2 3.23Å; H410-E570 IonicContact CG-OE2 3.19Å; H410-E570 PolarHBondContact N-O 2.99Å; H410-E570 PolarHBondContact O-N 3.29Å; V504-E570 HydrophobicContact CG1-CB 4.24Å; R506-E570 WeakPolarHBondContact CD-OE1 3.1Å; R506-E570 HydrophobicContact CG-CG 4.07Å; R506-E570 IonicContact CZ-OE1 2.67Å; R506-E570 IonicContact NE-OE1 2.88Å; R506-E570 PolarHBondContact NE-OE1 3.32Å; R506-E570 IonicContact NH2-OE1 2.87Å |
| 571 | I | 89.1 | Confident | 74.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.4 | -178.9 | 65.2 | 167.7 | 0 | 0 | 0 | 112.3 | L389 I406 K407 I408 L478 V504 A505 L507 V569 Y573 | L389-I571 HydrophobicContact CD1-CG2 3.82Å; I406-I571 HydrophobicContact CG2-CB 3.91Å; I406-I571 HydrophobicContact CG2-CD1 4.07Å; I406-I571 HydrophobicContact CG2-CG2 4.03Å; K407-I571 CarbonylContact O-C 3.54Å; K407-I571 VanDerWaalsContact O-CA 3.28Å; K407-I571 WeakPolarHBondContact O-CA 3.35Å; I408-I571 HydrophobicContact CG1-CG2 4.28Å; L478-I571 HydrophobicContact CD1-CD1 4.17Å; L478-I571 HydrophobicContact CD2-CD1 3.84Å; V504-I571 WeakPolarHBondContact CA-O 3.48Å; A505-I571 HydrophobicContact CB-CD1 4.25Å; A505-I571 HydrophobicContact CB-CG1 3.8Å; A505-I571 PolarHBondContact N-O 2.72Å; A505-I571 PolarHBondContact O-N 2.65Å; L507-I571 HydrophobicContact CD1-CD1 3.78Å; L507-I571 HydrophobicContact CD1-CG1 4.2Å; L507-I571 HydrophobicContact CD1-CG2 4.46Å; V569-I571 HydrophobicContact CB-CG2 4.47Å; V569-I571 HydrophobicContact CG1-CG2 3.58Å; I571-Y573 HydrophobicContact CD1-CE1 4.12Å; I571-Y573 HydrophobicContact CD1-CE2 4.14Å |
| 572 | E | 85.6 | Confident | 74.1 | Confident | 10 Ų | 10 | 47.5 Ų | 47.5 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.9 | 171.5 | 177.2 | 175.7 | 177.9 | 0 | 0 | 109.4 | R348 K407 L409 | R348-E572 IonicContact CZ-OE2 2.84Å; R348-E572 IonicContact NH1-OE2 2.77Å; R348-E572 PolarHBondContact NH1-OE2 3.41Å; R348-E572 IonicContact NH2-OE2 3.98Å; R348-E572 PolarHBondContact NH2-OE2 3.32Å; K407-E572 HydrophobicContact CB-CB 4.41Å; K407-E572 PolarHBondContact N-O 3.49Å; K407-E572 PolarHBondContact O-N 2.8Å; L409-E572 HydrophobicContact CD1-CB 4.12Å; L409-E572 HydrophobicContact CD2-CB 4.17Å; L409-E572 HydrophobicContact CG-CB 4.19Å |
| 573 | Y | 85.1 | Confident | 73.7 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.4 | 176.3 | -64.1 | -80.7 | 0 | 0 | 0 | 110.5 | F393 I403 I406 L478 D482 L486 M489 A505 I571 | F393-Y573 HydrophobicContact CD2-CE1 4.01Å; F393-Y573 HydrophobicContact CE2-CD1 4.22Å; F393-Y573 AromaticContact CE2-CE1 3.59Å; F393-Y573 HydrophobicContact CE2-CE1 3.59Å; F393-Y573 HydrophobicContact CZ-CD1 4.44Å; F393-Y573 HydrophobicContact CZ-CE1 4.25Å; I403-Y573 HydrophobicContact CD1-CD1 3.83Å; I403-Y573 HydrophobicContact CD1-CG 4.07Å; I403-Y573 HydrophobicContact CG2-CD1 4.21Å; I406-Y573 HydrophobicContact CG1-CD1 4.14Å; I406-Y573 HydrophobicContact CG1-CE1 4.22Å; L478-Y573 HydrophobicContact CD2-CE1 4.31Å; D482-Y573 WeakPolarHBondContact OD2-CE2 3.27Å; D482-Y573 PolarHBondContact OD2-OH 2.65Å; L486-Y573 HydrophobicContact CD2-CD2 4.48Å; L486-Y573 HydrophobicContact CD2-CE1 4.32Å; L486-Y573 HydrophobicContact CD2-CE2 4.26Å; M489-Y573 HydrophobicContact CE-CD2 3.23Å; M489-Y573 HydrophobicContact CE-CE2 3.69Å; M489-Y573 HydrophobicContact CE-CG 3.97Å; M489-Y573 HydrophobicContact SD-CD2 4.2Å; A505-Y573 HydrophobicContact CB-CE2 4.03Å; I571-Y573 HydrophobicContact CD1-CE1 4.12Å; I571-Y573 HydrophobicContact CD1-CE2 4.14Å |
| 574 | L | 81.2 | Confident | 72.8 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 34% | 0.335 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.9 | -179.8 | -58.5 | 176.8 | 0 | 0 | 0 | 109.9 | I403 N404 G405 K407 | I403-L574 CarbonylContact C-O 3.48Å; I403-L574 WeakPolarHBondContact CA-O 3.48Å; N404-L574 PolarHBondContact N-O 3.04Å; G405-L574 PolarHBondContact O-N 3.34Å; K407-L574 HydrophobicContact CB-CD1 4.3Å; K407-L574 HydrophobicContact CB-CD2 4.24Å; K407-L574 HydrophobicContact CB-CG 4.25Å |
| 575 | L | 78.1 | Confident | 71.5 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 150.7 | 178.2 | -66 | -171 | 0 | 0 | 0 | 113.3 | I403 I493 F498 T577 | I403-L575 HydrophobicContact CG1-CD2 4.09Å; I493-L575 HydrophobicContact CD1-CD1 3.78Å; I493-L575 HydrophobicContact CD1-CD2 3.99Å; I493-L575 HydrophobicContact CG1-CD1 4.21Å; F498-L575 HydrophobicContact CD1-CD1 3.5Å; F498-L575 VanDerWaalsContact CD1-CD1 3.5Å; F498-L575 HydrophobicContact CE1-CD1 3.06Å; F498-L575 HydrophobicContact CE1-CG 3.8Å; F498-L575 HydrophobicContact CE2-CD1 4.11Å; F498-L575 HydrophobicContact CG-CD1 4.22Å; F498-L575 HydrophobicContact CZ-CD1 3.4Å; F498-L575 HydrophobicContact CZ-CD2 4.28Å; F498-L575 HydrophobicContact CZ-CG 3.79Å; L575-T577 VanDerWaalsContact C-N 3.31Å; L575-T577 PolarHBondContact O-N 3.07Å |
| 576 | K | 74.6 | Confident | 69.6 | Low | 121 Ų | 121 | 54.2 Ų | 54.2 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.4 | 175.9 | -72.9 | 178.2 | 179.9 | 168.3 | 0 | 114.6 | S401 M402 I403 N404 | S401-K576 WeakPolarHBondContact O-CD 3.35Å; S401-K576 WeakPolarHBondContact O-CE 3.37Å; S401-K576 PolarHBondContact O-NZ 3.05Å; M402-K576 PolarHBondContact O-N 3.02Å; I403-K576 WeakPolarHBondContact O-CE 3.34Å; N404-K576 HydrophobicContact CB-CG 3.76Å |
| 577 | T | 61.8 | Low | 67.7 | Low | 111 Ų | 111 | 54 Ų | 54 | 68% | 0.681 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 11.9 | -168.8 | 49.2 | 0 | 0 | 0 | 0 | 114.9 | L575 E579 | L575-T577 VanDerWaalsContact C-N 3.31Å; L575-T577 PolarHBondContact O-N 3.07Å; T577-E579 PolarHBondContact O-N 3.4Å |
| 578 | N | 53.8 | Low | 65.8 | Low | 52 Ų | 52 | 55.5 Ų | 55.5 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 24.4 | -171 | -89.5 | -11.2 | 0 | 0 | 0 | 116.5 | Q500 S580 | Q500-N578 PolarHBondContact OE1-ND2 3.15Å; N578-S580 PolarHBondContact O-N 2.65Å |
| 579 | E | 47.2 | Very low | 63.8 | Low | 169 Ų | 169 | 56.7 Ų | 56.7 | 79% | 0.79 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.1 | 176.6 | -71.1 | -160.9 | 156.9 | 0 | 0 | 114.1 | T577 N581 | T577-E579 PolarHBondContact O-N 3.4Å; E579-N581 PolarHBondContact O-N 3.24Å |
| 580 | S | 44.4 | Very low | 61.7 | Low | 84 Ų | 84 | 61.1 Ų | 61.1 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -90.9 | 106.5 | 179.1 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | N578 | N578-S580 PolarHBondContact O-N 2.65Š|
| 581 | N | 49.2 | Very low | 59.7 | Low | 98 Ų | 98 | 64.5 Ų | 64.5 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | trans | 96.6 | 77.3 | 158.9 | -55.5 | -36.6 | 0 | 0 | 0 | 118.8 | E579 I583 | E579-N581 PolarHBondContact O-N 3.24Å; N581-I583 PolarHBondContact O-N 3.23Å | ||
| 582 | Y | 53.1 | Low | 57.8 | Low | 150 Ų | 150 | 70.7 Ų | 70.7 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.6 | -37.5 | 179 | -82.2 | -92.9 | 0 | 0 | 0 | 117.6 | F584 N585 Q586 | Y582-F584 PolarHBondContact O-N 2.87Å; Y582-N585 PolarHBondContact O-N 3.34Å; Y582-N585 VanDerWaalsContact O-N 3.14Å; Y582-Q586 PolarHBondContact O-N 3.27Å; Y582-Q586 VanDerWaalsContact O-N 3.16Å |
| 583 | I | 52.1 | Low | 56.2 | Low | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60 | -45.5 | -166.2 | -73.6 | 163.3 | 0 | 0 | 0 | 112.8 | N581 F587 I601 F602 | N581-I583 PolarHBondContact O-N 3.23Å; I583-F587 WeakPolarHBondContact O-CE2 3.26Å; I583-I601 HydrophobicContact CD1-CB 4.05Å; I583-I601 HydrophobicContact CD1-CD1 4.2Å; I583-I601 HydrophobicContact CD1-CG1 4.22Å; I583-I601 HydrophobicContact CG1-CD1 3.79Å; I583-I601 HydrophobicContact CG1-CG1 4.26Å; I583-F602 HydrophobicContact CD1-CD2 3.78Å; I583-F602 HydrophobicContact CD1-CE2 3.3Å; I583-F602 HydrophobicContact CD1-CZ 4.07Å |
| 584 | F | 52.3 | Low | 54.6 | Low | 11 Ų | 11 | 77.8 Ų | 77.8 | 5% | 0.048 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -87.2 | -17.1 | 179.4 | -72.6 | -78.7 | 0 | 0 | 0 | 113.4 | L271 L275 K341 L345 Y582 Q586 F587 | L271-F584 HydrophobicContact CD2-CE1 4Å; L271-F584 HydrophobicContact CD2-CZ 4.32Å; L275-F584 HydrophobicContact CD1-CE2 3.97Å; L275-F584 HydrophobicContact CD1-CZ 3.81Å; K341-F584 HydrophobicContact CB-CD2 4.49Å; K341-F584 HydrophobicContact CD-CB 3.48Å; K341-F584 VanDerWaalsContact CD-CB 3.48Å; K341-F584 HydrophobicContact CD-CD2 3.8Å; K341-F584 HydrophobicContact CD-CG 3.85Å; K341-F584 HydrophobicContact CG-CB 4.03Å; K341-F584 HydrophobicContact CG-CD2 4.24Å; K341-F584 HydrophobicContact CG-CG 4.11Å; L345-F584 HydrophobicContact CD1-CB 4.36Å; L345-F584 HydrophobicContact CD1-CD1 3.62Å; L345-F584 HydrophobicContact CD1-CE1 4.35Å; L345-F584 HydrophobicContact CD1-CG 4.36Å; Y582-F584 PolarHBondContact O-N 2.87Å; F584-Q586 PolarHBondContact O-N 2.78Å; F584-F587 HydrophobicContact CB-CD2 4.34Å; F584-F587 AromaticContact CD1-CD2 3.68Å; F584-F587 HydrophobicContact CD1-CD2 3.68Å; F584-F587 AromaticContact CD1-CE2 3.94Å; F584-F587 HydrophobicContact CD1-CE2 3.94Å; F584-F587 HydrophobicContact CE1-CD2 4.48Å; F584-F587 HydrophobicContact CE1-CE2 4.42Å; F584-F587 HydrophobicContact CG-CD2 4.35Å; F584-F587 PolarHBondContact O-N 2.78Å; F584-F587 VanDerWaalsContact O-N 3.12Å |
| 585 | N | 51.6 | Low | 53.2 | Low | 59 Ų | 59 | 76.8 Ų | 76.8 | 32% | 0.316 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.4 | -20.4 | 172.1 | -70.5 | 2 | 0 | 0 | 0 | 111.4 | K341 Q500 Y501 Y582 F587 | K341-N585 PolarHBondContact NZ-OD1 3.22Å; Q500-N585 PolarHBondContact NE2-OD1 3.23Å; Y501-N585 PolarHBondContact OH-OD1 2.77Å; Y582-N585 PolarHBondContact O-N 3.34Å; Y582-N585 VanDerWaalsContact O-N 3.14Å; N585-F587 PolarHBondContact O-N 2.65Å |
| 586 | Q | 49.2 | Very low | 52 | Low | 118 Ų | 118 | 82.6 Ų | 82.6 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.8 | 169.5 | -71 | -177.6 | -14.2 | 0 | 0 | 113.3 | Y582 F584 D588 | Y582-Q586 PolarHBondContact O-N 3.27Å; Y582-Q586 VanDerWaalsContact O-N 3.16Å; F584-Q586 PolarHBondContact O-N 2.78Å; Q586-D588 VanDerWaalsContact C-N 3.32Å; Q586-D588 PolarHBondContact O-N 3.3Å |
| 587 | F | 50.5 | Low | 51 | Low | 21 Ų | 21 | 78.1 Ų | 78.1 | 9% | 0.092 | 41% | 0.41 | C | S | . | . | trans | -83.3 | 84.2 | 173.6 | -63.6 | -60.5 | 0 | 0 | 0 | 109.3 | L268 L271 I583 F584 N585 I593 | L268-F587 HydrophobicContact CD2-CD1 4.34Å; L268-F587 HydrophobicContact CD2-CD2 4.28Å; L268-F587 HydrophobicContact CD2-CG 4.1Å; L271-F587 HydrophobicContact CD1-CE1 4.28Å; L271-F587 HydrophobicContact CD1-CE2 4.14Å; L271-F587 HydrophobicContact CD1-CZ 3.42Å; L271-F587 VanDerWaalsContact CD1-CZ 3.42Å; L271-F587 HydrophobicContact CD2-CE2 3.62Å; L271-F587 HydrophobicContact CD2-CZ 3.8Å; L271-F587 HydrophobicContact CG-CE2 4.49Å; L271-F587 HydrophobicContact CG-CZ 4.18Å; I583-F587 WeakPolarHBondContact O-CE2 3.26Å; F584-F587 HydrophobicContact CB-CD2 4.34Å; F584-F587 AromaticContact CD1-CD2 3.68Å; F584-F587 HydrophobicContact CD1-CD2 3.68Å; F584-F587 AromaticContact CD1-CE2 3.94Å; F584-F587 HydrophobicContact CD1-CE2 3.94Å; F584-F587 HydrophobicContact CE1-CD2 4.48Å; F584-F587 HydrophobicContact CE1-CE2 4.42Å; F584-F587 HydrophobicContact CG-CD2 4.35Å; F584-F587 PolarHBondContact O-N 2.78Å; F584-F587 VanDerWaalsContact O-N 3.12Å; N585-F587 PolarHBondContact O-N 2.65Å; F587-I593 HydrophobicContact CD1-CB 4.26Å; F587-I593 HydrophobicContact CD1-CG1 4.02Å; F587-I593 HydrophobicContact CD1-CG2 3.76Å; F587-I593 HydrophobicContact CE1-CB 4.23Å; F587-I593 HydrophobicContact CE1-CG1 4.49Å; F587-I593 HydrophobicContact CE1-CG2 3.38Å; F587-I593 HydrophobicContact CZ-CG2 4.33Å | ||
| 588 | D | 51 | Low | 50.7 | Low | 54 Ų | 54 | 77.8 Ų | 77.8 | 29% | 0.289 | 40% | 0.404 | S | S | . | . | trans | -70.8 | 129.4 | 153.1 | -116 | -29.6 | 0 | 0 | 0 | 108 | K407 Q586 E590 T591 | K407-D588 IonicContact NZ-OD1 2.71Å; K407-D588 PolarHBondContact NZ-OD1 2.83Å; K407-D588 IonicContact NZ-OD2 3.34Å; K407-D588 PolarHBondContact NZ-OD2 2.98Å; Q586-D588 VanDerWaalsContact C-N 3.32Å; Q586-D588 PolarHBondContact O-N 3.3Å; D588-E590 PolarHBondContact O-N 3.2Å; D588-T591 HydrophobicContact CB-CG2 4.23Å; D588-T591 PolarHBondContact O-N 3.05Å; D588-T591 PolarHBondContact O-OG1 3.26Å | ||
| 589 | I | 49.4 | Very low | 51.1 | Low | 26 Ų | 26 | 77.4 Ų | 77.4 | 13% | 0.133 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -24.8 | -179.4 | -75.7 | -178.3 | 0 | 0 | 0 | 112.4 | R348 L349 | R348-I589 HydrophobicContact CB-CD1 4.19Å; R348-I589 HydrophobicContact CG-CD1 3.57Å; L349-I589 HydrophobicContact CD2-CB 4.34Å; L349-I589 HydrophobicContact CD2-CD1 4.18Å; L349-I589 HydrophobicContact CD2-CG1 4.14Å; L349-I589 HydrophobicContact CD2-CG2 3.52Å; L349-I589 HydrophobicContact CG-CD1 4.45Å |
| 590 | E | 47.1 | Very low | 52 | Low | 92 Ų | 92 | 75.1 Ų | 75.1 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -15.1 | -175 | -57.4 | -171.5 | 140.2 | 0 | 0 | 114.3 | I377 H410 D588 | I377-E590 VanDerWaalsContact CD1-OE2 3.3Å; I377-E590 WeakPolarHBondContact CD1-OE2 3.36Å; H410-E590 IonicContact CE1-OE1 3.04Å; H410-E590 PolarHBondContact CE1-OE1 2.85Å; H410-E590 IonicContact ND1-OE1 3.98Å; D588-E590 PolarHBondContact O-N 3.2Å |
| 591 | T | 47.3 | Very low | 53.1 | Low | 77 Ų | 77 | 75.3 Ų | 75.3 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -90.9 | 137.2 | 177.2 | 53 | 0 | 0 | 0 | 0 | 110.4 | D588 I593 | D588-T591 HydrophobicContact CB-CG2 4.23Å; D588-T591 PolarHBondContact O-N 3.05Å; D588-T591 PolarHBondContact O-OG1 3.26Å; T591-I593 PolarHBondContact O-N 2.96Å |
| 592 | D | 48.7 | Very low | 54.5 | Low | 131 Ų | 131 | 72.3 Ų | 72.3 | 70% | 0.701 | 37% | 0.367 | S | S | * | . | trans | -50.5 | 115 | 175.5 | -93 | -40 | 0 | 0 | 0 | 108.7 | E594 | D592-E594 VanDerWaalsContact C-N 3.29Å; D592-E594 PolarHBondContact O-N 2.92Å | ||
| 593 | I | 52.2 | Low | 56 | Low | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.082 | 35% | 0.352 | C | S | . | . | trans | -62.8 | 91.4 | -177.9 | -61.6 | 174.6 | 0 | 0 | 0 | 107.9 | N264 L267 L268 F587 T591 T595 | N264-I593 HydrophobicContact CB-CD1 4.12Å; L267-I593 HydrophobicContact CB-CB 4.16Å; L267-I593 HydrophobicContact CB-CD1 4.19Å; L267-I593 HydrophobicContact CB-CG2 3.94Å; L267-I593 HydrophobicContact CD1-CB 4.19Å; L268-I593 HydrophobicContact CD2-CD1 3.9Å; L268-I593 HydrophobicContact CG-CD1 3.77Å; F587-I593 HydrophobicContact CD1-CB 4.26Å; F587-I593 HydrophobicContact CD1-CG1 4.02Å; F587-I593 HydrophobicContact CD1-CG2 3.76Å; F587-I593 HydrophobicContact CE1-CB 4.23Å; F587-I593 HydrophobicContact CE1-CG1 4.49Å; F587-I593 HydrophobicContact CE1-CG2 3.38Å; F587-I593 HydrophobicContact CZ-CG2 4.33Å; T591-I593 PolarHBondContact O-N 2.96Å; I593-T595 PolarHBondContact O-N 2.83Å | ||
| 594 | E | 52.5 | Low | 57.4 | Low | 147 Ų | 147 | 72.1 Ų | 72.1 | 69% | 0.687 | 38% | 0.377 | S | S | * | . | trans | -69.9 | 103.3 | 174.5 | -73.7 | -162.5 | 168.5 | 0 | 0 | 108.8 | D592 N596 G597 | D592-E594 VanDerWaalsContact C-N 3.29Å; D592-E594 PolarHBondContact O-N 2.92Å; E594-N596 PolarHBondContact O-N 2.97Å; E594-G597 PolarHBondContact O-N 2.95Å | ||
| 595 | T | 52 | Low | 58.9 | Low | 42 Ų | 42 | 73.1 Ų | 73.1 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 1.3 | 178.2 | 64.4 | 0 | 0 | 0 | 0 | 114.7 | L267 K274 I593 | L267-T595 HydrophobicContact CD2-CG2 3.98Å; K274-T595 PolarHBondContact NZ-O 2.88Å; K274-T595 VanDerWaalsContact NZ-O 3.09Å; I593-T595 PolarHBondContact O-N 2.83Å |
| 596 | N | 52.6 | Low | 60.7 | Low | 137 Ų | 137 | 71 Ų | 71 | 73% | 0.733 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 1 | 179.3 | -70.6 | -15.3 | 0 | 0 | 0 | 113.6 | E594 | E594-N596 PolarHBondContact O-N 2.97Š|
| 597 | G | 53.4 | Low | 62.6 | Low | 27 Ų | 27 | 70.4 Ų | 70.4 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -47.4 | 142.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | E594 L599 | E594-G597 PolarHBondContact O-N 2.95Å; G597-L599 PolarHBondContact O-N 3.23Å |
| 598 | N | 54.4 | Low | 64.4 | Low | 103 Ų | 103 | 72.7 Ų | 72.7 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | trans | -58 | 91.6 | -174 | -98.4 | -15.5 | 0 | 0 | 0 | 112 | Q600 | N598-Q600 PolarHBondContact O-N 2.82Š| ||
| 599 | L | 62.5 | Low | 66.3 | Low | 45 Ų | 45 | 70.8 Ų | 70.8 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 3.9 | 169.4 | -65.9 | 170.9 | 0 | 0 | 0 | 112.9 | K274 L275 K278 G597 I601 | K274-L599 HydrophobicContact CB-CD1 4.43Å; K274-L599 HydrophobicContact CD-CD1 4.48Å; L275-L599 HydrophobicContact CD2-CD2 3.45Å; L275-L599 VanDerWaalsContact CD2-CD2 3.45Å; L275-L599 HydrophobicContact CG-CD2 3.83Å; K278-L599 PolarHBondContact NZ-O 3.09Å; G597-L599 PolarHBondContact O-N 3.23Å; L599-I601 VanDerWaalsContact C-N 3.27Å; L599-I601 PolarHBondContact O-N 3.24Å |
| 600 | Q | 66.6 | Low | 68.3 | Low | 121 Ų | 121 | 73.4 Ų | 73.4 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23 | -176.2 | -73.4 | -178.8 | -13 | 0 | 0 | 114 | N598 F602 D603 | N598-Q600 PolarHBondContact O-N 2.82Å; Q600-F602 PolarHBondContact O-N 2.9Å; Q600-F602 VanDerWaalsContact O-N 3.15Å; Q600-D603 WeakPolarHBondContact CA-OD2 3.34Å; Q600-D603 VanDerWaalsContact O-CB 3.31Å; Q600-D603 WeakPolarHBondContact O-CB 3.32Å; Q600-D603 PolarHBondContact O-N 3.39Å |
| 601 | I | 68.1 | Low | 70.3 | Confident | 87 Ų | 87 | 74.8 Ų | 74.8 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.1 | -34 | -175.6 | -52.4 | -168.7 | 0 | 0 | 0 | 112.5 | I583 L599 | I583-I601 HydrophobicContact CD1-CB 4.05Å; I583-I601 HydrophobicContact CD1-CD1 4.2Å; I583-I601 HydrophobicContact CD1-CG1 4.22Å; I583-I601 HydrophobicContact CG1-CD1 3.79Å; I583-I601 HydrophobicContact CG1-CG1 4.26Å; L599-I601 VanDerWaalsContact C-N 3.27Å; L599-I601 PolarHBondContact O-N 3.24Å |
| 602 | F | 78.5 | Confident | 72.4 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -85.4 | -10.6 | 177.4 | -59.9 | -66.9 | 0 | 0 | 0 | 113.5 | L275 F279 W331 I334 I583 Q600 D604 G605 I606 | L275-F602 HydrophobicContact CD2-CD2 3.87Å; L275-F602 HydrophobicContact CD2-CE2 3.68Å; F279-F602 HydrophobicContact CE1-CB 4.27Å; F279-F602 HydrophobicContact CE1-CD1 4.03Å; F279-F602 AromaticContact CE1-CD2 3.78Å; F279-F602 HydrophobicContact CE1-CD2 3.78Å; F279-F602 HydrophobicContact CE1-CE1 4.3Å; F279-F602 HydrophobicContact CE1-CE2 4.04Å; F279-F602 AromaticContact CE1-CG 3.76Å; F279-F602 HydrophobicContact CE1-CG 3.76Å; F279-F602 HydrophobicContact CE1-CZ 4.3Å; F279-F602 HydrophobicContact CZ-CD1 4.38Å; F279-F602 AromaticContact CZ-CD2 3.91Å; F279-F602 HydrophobicContact CZ-CD2 3.91Å; F279-F602 HydrophobicContact CZ-CE1 4.2Å; F279-F602 AromaticContact CZ-CE2 3.69Å; F279-F602 HydrophobicContact CZ-CE2 3.69Å; F279-F602 HydrophobicContact CZ-CG 4.25Å; F279-F602 AromaticContact CZ-CZ 3.85Å; F279-F602 HydrophobicContact CZ-CZ 3.85Å; W331-F602 HydrophobicContact CH2-CB 4.36Å; W331-F602 HydrophobicContact CZ3-CB 4.37Å; W331-F602 HydrophobicContact CZ3-CD1 4.17Å; I334-F602 HydrophobicContact CG2-CD1 4.43Å; I334-F602 HydrophobicContact CG2-CE1 3.82Å; I334-F602 HydrophobicContact CG2-CZ 4.35Å; I583-F602 HydrophobicContact CD1-CD2 3.78Å; I583-F602 HydrophobicContact CD1-CE2 3.3Å; I583-F602 HydrophobicContact CD1-CZ 4.07Å; Q600-F602 PolarHBondContact O-N 2.9Å; Q600-F602 VanDerWaalsContact O-N 3.15Å; F602-D604 VanDerWaalsContact C-N 3.35Å; F602-G605 PolarHBondContact O-N 3.07Å; F602-I606 WeakPolarHBondContact O-CD1 3.33Å; F602-I606 VanDerWaalsContact O-CG1 3.26Å; F602-I606 WeakPolarHBondContact O-CG1 3.25Å; F602-I606 PolarHBondContact O-N 3.33Å; F602-I606 VanDerWaalsContact O-N 3.1Å |
| 603 | D | 83.3 | Confident | 74.3 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.8 | -35.9 | -179 | -72.9 | -39.9 | 0 | 0 | 0 | 111.7 | K278 Q600 I606 Q607 | K278-D603 WeakPolarHBondContact CE-OD1 3.47Å; K278-D603 IonicContact NZ-OD1 2.75Å; K278-D603 PolarHBondContact NZ-OD1 3.4Å; K278-D603 IonicContact NZ-OD2 3.27Å; K278-D603 PolarHBondContact NZ-OD2 3.44Å; Q600-D603 WeakPolarHBondContact CA-OD2 3.34Å; Q600-D603 VanDerWaalsContact O-CB 3.31Å; Q600-D603 WeakPolarHBondContact O-CB 3.32Å; Q600-D603 PolarHBondContact O-N 3.39Å; D603-I606 PolarHBondContact O-N 3.32Å; D603-Q607 WeakPolarHBondContact O-CB 3.17Å; D603-Q607 VanDerWaalsContact O-CG 3.24Å; D603-Q607 WeakPolarHBondContact O-CG 3.47Å; D603-Q607 PolarHBondContact O-N 2.98Å |
| 604 | D | 81.2 | Confident | 76 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | 178 | -65.1 | -20 | 0 | 0 | 0 | 111.9 | F602 Q607 S608 | F602-D604 VanDerWaalsContact C-N 3.35Å; D604-Q607 PolarHBondContact O-N 3.26Å; D604-S608 WeakPolarHBondContact O-CB 3.46Å; D604-S608 PolarHBondContact O-N 3.1Å |
| 605 | G | 85.3 | Confident | 77.7 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 32% | 0.32 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F602 S608 D609 | F602-G605 PolarHBondContact O-N 3.07Å; G605-S608 PolarHBondContact O-N 2.61Å; G605-D609 PolarHBondContact O-N 3.15Å; G605-D609 VanDerWaalsContact O-N 3.09Å |
| 606 | I | 88.3 | Confident | 79.3 | Confident | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 175.8 | -71.7 | 168.6 | 0 | 0 | 0 | 110.6 | K278 H282 W331 F602 D603 D609 Q610 | K278-I606 HydrophobicContact CD-CD1 4.37Å; K278-I606 HydrophobicContact CG-CD1 4Å; H282-I606 HydrophobicContact CB-CG1 4.35Å; W331-I606 HydrophobicContact CH2-CD1 4.46Å; W331-I606 HydrophobicContact CH2-CG1 3.7Å; W331-I606 HydrophobicContact CZ2-CG1 3.84Å; W331-I606 HydrophobicContact CZ3-CG1 4.5Å; F602-I606 WeakPolarHBondContact O-CD1 3.33Å; F602-I606 VanDerWaalsContact O-CG1 3.26Å; F602-I606 WeakPolarHBondContact O-CG1 3.25Å; F602-I606 PolarHBondContact O-N 3.33Å; F602-I606 VanDerWaalsContact O-N 3.1Å; D603-I606 PolarHBondContact O-N 3.32Å; I606-D609 PolarHBondContact O-N 3.05Å; I606-Q610 HydrophobicContact CG2-CG 4.47Å; I606-Q610 WeakPolarHBondContact O-CB 3.46Å; I606-Q610 VanDerWaalsContact O-CG 3.25Å; I606-Q610 WeakPolarHBondContact O-CG 3.23Å; I606-Q610 PolarHBondContact O-N 2.76Å |
| 607 | Q | 89.3 | Confident | 80.8 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 179 | -74.9 | 179.1 | 21.2 | 0 | 0 | 111.8 | D603 D604 D609 Q610 Q611 | D603-Q607 WeakPolarHBondContact O-CB 3.17Å; D603-Q607 VanDerWaalsContact O-CG 3.24Å; D603-Q607 WeakPolarHBondContact O-CG 3.47Å; D603-Q607 PolarHBondContact O-N 2.98Å; D604-Q607 PolarHBondContact O-N 3.26Å; Q607-D609 PolarHBondContact O-N 3.04Å; Q607-Q610 PolarHBondContact O-N 3.25Å; Q607-Q611 WeakPolarHBondContact O-CB 3.45Å; Q607-Q611 WeakPolarHBondContact O-CG 3.39Å; Q607-Q611 PolarHBondContact O-N 3.33Å |
| 608 | S | 89 | Confident | 82.1 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 49% | 0.49 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 176.1 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | D604 G605 Q610 Q611 F612 | D604-S608 WeakPolarHBondContact O-CB 3.46Å; D604-S608 PolarHBondContact O-N 3.1Å; G605-S608 PolarHBondContact O-N 2.61Å; S608-Q610 PolarHBondContact O-N 2.68Å; S608-Q611 PolarHBondContact O-N 3.18Å; S608-F612 WeakPolarHBondContact O-CB 3.45Å; S608-F612 PolarHBondContact O-N 3.31Å |
| 609 | D | 91.2 | Very high | 83.3 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.07 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 176.4 | -75.7 | -18 | 0 | 0 | 0 | 112.6 | H282 K327 W331 G605 I606 Q607 Q611 F612 I613 | H282-D609 IonicContact CE1-OD2 3.22Å; H282-D609 IonicContact NE2-OD2 3.32Å; H282-D609 PolarHBondContact NE2-OD2 2.87Å; K327-D609 WeakPolarHBondContact CD-OD1 3.27Å; K327-D609 WeakPolarHBondContact CE-OD1 3.47Å; K327-D609 IonicContact NZ-OD1 2.7Å; K327-D609 PolarHBondContact NZ-OD1 2.63Å; W331-D609 PolarHBondContact NE1-OD2 3.19Å; G605-D609 PolarHBondContact O-N 3.15Å; G605-D609 VanDerWaalsContact O-N 3.09Å; I606-D609 PolarHBondContact O-N 3.05Å; Q607-D609 PolarHBondContact O-N 3.04Å; D609-Q611 VanDerWaalsContact C-N 3.33Å; D609-Q611 PolarHBondContact O-N 3Å; D609-F612 PolarHBondContact O-N 3.13Å; D609-I613 WeakPolarHBondContact O-CB 3.23Å; D609-I613 WeakPolarHBondContact O-CG1 3.5Å; D609-I613 PolarHBondContact O-N 2.84Å |
| 610 | Q | 90.8 | Very high | 84 | Confident | 82 Ų | 82 | 67 Ų | 67 | 38% | 0.383 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176.5 | -74.6 | 175.7 | 4.3 | 0 | 0 | 111.6 | Y285 I606 Q607 S608 K614 | Y285-Q610 HydrophobicContact CD1-CG 4.34Å; Y285-Q610 HydrophobicContact CE1-CG 3.77Å; I606-Q610 HydrophobicContact CG2-CG 4.47Å; I606-Q610 WeakPolarHBondContact O-CB 3.46Å; I606-Q610 VanDerWaalsContact O-CG 3.25Å; I606-Q610 WeakPolarHBondContact O-CG 3.23Å; I606-Q610 PolarHBondContact O-N 2.76Å; Q607-Q610 PolarHBondContact O-N 3.25Å; S608-Q610 PolarHBondContact O-N 2.68Å; Q610-K614 VanDerWaalsContact O-CB 3.24Å; Q610-K614 WeakPolarHBondContact O-CB 3.42Å; Q610-K614 PolarHBondContact O-N 3.37Å |
| 611 | Q | 89.8 | Confident | 84.4 | Confident | 121 Ų | 121 | 61.7 Ų | 61.7 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.5 | -44.5 | 173.9 | -74.3 | -172.8 | 2.4 | 0 | 0 | 111.7 | Q607 S608 D609 I613 K614 I615 | Q607-Q611 WeakPolarHBondContact O-CB 3.45Å; Q607-Q611 WeakPolarHBondContact O-CG 3.39Å; Q607-Q611 PolarHBondContact O-N 3.33Å; S608-Q611 PolarHBondContact O-N 3.18Å; D609-Q611 VanDerWaalsContact C-N 3.33Å; D609-Q611 PolarHBondContact O-N 3Å; Q611-I613 PolarHBondContact O-N 3.34Å; Q611-K614 PolarHBondContact O-N 3.03Å; Q611-I615 VanDerWaalsContact O-CG1 3.31Å; Q611-I615 WeakPolarHBondContact O-CG1 3.38Å; Q611-I615 PolarHBondContact O-N 3.48Å |
| 612 | F | 91.7 | Very high | 84.7 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.6 | -49.7 | 174.9 | 171.8 | -96.4 | 0 | 0 | 0 | 111.6 | L320 E323 L324 K327 S608 D609 K614 I615 T616 | L320-F612 HydrophobicContact CD1-CE1 3.76Å; L320-F612 HydrophobicContact CD1-CZ 3.69Å; E323-F612 HydrophobicContact CB-CZ 4.21Å; L324-F612 HydrophobicContact CD2-CD1 4.42Å; L324-F612 HydrophobicContact CD2-CE1 4.08Å; K327-F612 HydrophobicContact CD-CD1 4.2Å; K327-F612 HydrophobicContact CD-CE1 4.43Å; K327-F612 VanDerWaalsContact CE-CD1 3.46Å; S608-F612 WeakPolarHBondContact O-CB 3.45Å; S608-F612 PolarHBondContact O-N 3.31Å; D609-F612 PolarHBondContact O-N 3.13Å; F612-K614 VanDerWaalsContact C-N 3.29Å; F612-K614 PolarHBondContact O-N 3.47Å; F612-I615 PolarHBondContact O-N 2.95Å; F612-T616 HydrophobicContact CD2-CG2 4.04Å; F612-T616 HydrophobicContact CE2-CG2 3.79Å; F612-T616 HydrophobicContact CZ-CG2 4.24Å; F612-T616 WeakPolarHBondContact O-CB 3.08Å; F612-T616 PolarHBondContact O-N 3Å; F612-T616 PolarHBondContact O-OG1 3.25Å |
| 613 | I | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 177.2 | -75 | 166.4 | 0 | 0 | 0 | 110.7 | Y285 I286 I289 L324 D609 Q611 I615 A617 L618 | Y285-I613 HydrophobicContact CD1-CD1 4.12Å; Y285-I613 HydrophobicContact CE1-CD1 3.57Å; Y285-I613 HydrophobicContact CE1-CG2 4.34Å; Y285-I613 WeakPolarHBondContact OH-CG2 3.32Å; I286-I613 HydrophobicContact CG1-CD1 3.99Å; I289-I613 HydrophobicContact CD1-CG2 4.23Å; I289-I613 HydrophobicContact CG1-CG2 3.98Å; I289-I613 HydrophobicContact CG2-CG2 4.18Å; L324-I613 HydrophobicContact CD2-CD1 4.09Å; L324-I613 HydrophobicContact CD2-CG1 3.75Å; D609-I613 WeakPolarHBondContact O-CB 3.23Å; D609-I613 WeakPolarHBondContact O-CG1 3.5Å; D609-I613 PolarHBondContact O-N 2.84Å; Q611-I613 PolarHBondContact O-N 3.34Å; I613-I615 VanDerWaalsContact C-N 3.33Å; I613-I615 PolarHBondContact O-N 3.36Å; I613-A617 HydrophobicContact CG2-CB 4.29Å; I613-A617 WeakPolarHBondContact O-CB 3.34Å; I613-A617 PolarHBondContact O-N 3.27Å; I613-L618 HydrophobicContact CG2-CG 4.26Å; I613-L618 PolarHBondContact O-N 2.82Å |
| 614 | K | 87.6 | Confident | 83.3 | Confident | 148 Ų | 148 | 64.6 Ų | 64.6 | 64% | 0.643 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.4 | -36.3 | 179.5 | -175 | 178.6 | -179.6 | -176.8 | 0 | 112.9 | Q610 Q611 F612 L618 P619 | Q610-K614 VanDerWaalsContact O-CB 3.24Å; Q610-K614 WeakPolarHBondContact O-CB 3.42Å; Q610-K614 PolarHBondContact O-N 3.37Å; Q611-K614 PolarHBondContact O-N 3.03Å; F612-K614 VanDerWaalsContact C-N 3.29Å; F612-K614 PolarHBondContact O-N 3.47Å; K614-L618 HydrophobicContact CB-CD1 4.16Å; K614-L618 HydrophobicContact CG-CD1 4.15Å; K614-P619 WeakPolarHBondContact O-CD 3.48Å |
| 615 | I | 86.5 | Confident | 82.6 | Confident | 126 Ų | 126 | 63.2 Ų | 63.2 | 65% | 0.646 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -83.2 | -38.5 | -178.3 | -66.3 | 166 | 0 | 0 | 0 | 111.7 | Q611 F612 I613 P619 | Q611-I615 VanDerWaalsContact O-CG1 3.31Å; Q611-I615 WeakPolarHBondContact O-CG1 3.38Å; Q611-I615 PolarHBondContact O-N 3.48Å; F612-I615 PolarHBondContact O-N 2.95Å; I613-I615 VanDerWaalsContact C-N 3.33Å; I613-I615 PolarHBondContact O-N 3.36Å; I615-P619 WeakPolarHBondContact O-CG 3.49Å |
| 616 | T | 86.8 | Confident | 81.3 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -101.8 | -51.6 | -170.1 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | L320 F612 | L320-T616 WeakPolarHBondContact CD1-OG1 3.36Å; F612-T616 HydrophobicContact CD2-CG2 4.04Å; F612-T616 HydrophobicContact CE2-CG2 3.79Å; F612-T616 HydrophobicContact CZ-CG2 4.24Å; F612-T616 WeakPolarHBondContact O-CB 3.08Å; F612-T616 PolarHBondContact O-N 3Å; F612-T616 PolarHBondContact O-OG1 3.25Å |
| 617 | A | 83.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -87.2 | -44.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I289 L293 L320 I613 L620 I621 | I289-A617 HydrophobicContact CG2-CB 3.73Å; L293-A617 HydrophobicContact CD1-CB 4.17Å; L320-A617 HydrophobicContact CD2-CB 3.96Å; I613-A617 HydrophobicContact CG2-CB 4.29Å; I613-A617 WeakPolarHBondContact O-CB 3.34Å; I613-A617 PolarHBondContact O-N 3.27Å; A617-L620 WeakPolarHBondContact O-CB 3.43Å; A617-L620 PolarHBondContact O-N 3.22Å; A617-I621 WeakPolarHBondContact O-CG1 3.37Å; A617-I621 PolarHBondContact O-N 3.27Å |
| 618 | L | 81 | Confident | 77.3 | Confident | 52 Ų | 52 | 70.8 Ų | 70.8 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | -177.6 | -73 | -177.6 | 0 | 0 | 0 | 113.2 | I289 I613 K614 L620 I621 E622 | I289-L618 HydrophobicContact CD1-CD2 4.2Å; I613-L618 HydrophobicContact CG2-CG 4.26Å; I613-L618 PolarHBondContact O-N 2.82Å; K614-L618 HydrophobicContact CB-CD1 4.16Å; K614-L618 HydrophobicContact CG-CD1 4.15Å; L618-L620 VanDerWaalsContact C-N 3.33Å; L618-L620 PolarHBondContact O-N 2.79Å; L618-I621 PolarHBondContact O-N 3.2Å; L618-E622 WeakPolarHBondContact O-CB 3.39Å; L618-E622 WeakPolarHBondContact O-CG 3.37Å; L618-E622 PolarHBondContact O-N 3.02Å |
| 619 | P | 80 | Confident | 75.2 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 177.8 | -24.7 | 36.5 | 0 | 0 | 0 | 113.2 | K614 I615 N623 | K614-P619 WeakPolarHBondContact O-CD 3.48Å; I615-P619 WeakPolarHBondContact O-CG 3.49Å; P619-N623 VanDerWaalsContact O-CB 3.27Å; P619-N623 WeakPolarHBondContact O-CB 3.42Å; P619-N623 VanDerWaalsContact O-CG 3.3Å; P619-N623 PolarHBondContact O-N 3.29Å; P619-N623 PolarHBondContact O-ND2 3.07Å |
| 620 | L | 76.5 | Confident | 72.5 | Confident | 79 Ų | 79 | 74.5 Ų | 74.5 | 41% | 0.414 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.1 | -74.7 | 166.4 | 0 | 0 | 0 | 110.9 | L320 A617 L618 N623 Y624 | L320-L620 HydrophobicContact CD2-CD1 3.65Å; A617-L620 WeakPolarHBondContact O-CB 3.43Å; A617-L620 PolarHBondContact O-N 3.22Å; L618-L620 VanDerWaalsContact C-N 3.33Å; L618-L620 PolarHBondContact O-N 2.79Å; L620-N623 PolarHBondContact O-N 3.03Å; L620-Y624 WeakPolarHBondContact O-CB 3.46Å; L620-Y624 PolarHBondContact O-N 3.01Å |
| 621 | I | 75.4 | Confident | 69.9 | Low | 9 Ų | 9 | 76.4 Ų | 76.4 | 5% | 0.046 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.8 | -66.3 | 167.2 | 0 | 0 | 0 | 110.8 | I289 F292 L293 I296 A617 L618 Y624 K625 | I289-I621 HydrophobicContact CD1-CD1 4.09Å; I289-I621 HydrophobicContact CG2-CD1 4.06Å; F292-I621 HydrophobicContact CB-CD1 4.22Å; L293-I621 HydrophobicContact CD2-CD1 4.41Å; L293-I621 HydrophobicContact CD2-CG1 4.02Å; I296-I621 HydrophobicContact CD1-CG1 4.43Å; A617-I621 WeakPolarHBondContact O-CG1 3.37Å; A617-I621 PolarHBondContact O-N 3.27Å; L618-I621 PolarHBondContact O-N 3.2Å; I621-Y624 PolarHBondContact O-N 2.96Å; I621-K625 HydrophobicContact CG2-CD 4.23Å; I621-K625 HydrophobicContact CG2-CG 4.5Å; I621-K625 WeakPolarHBondContact O-CB 3.48Å; I621-K625 WeakPolarHBondContact O-CG 3.42Å; I621-K625 PolarHBondContact O-N 3.16Å |
| 622 | E | 73.5 | Confident | 67.3 | Low | 105 Ų | 105 | 78.9 Ų | 78.9 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 178.2 | -77 | -174.7 | -174.8 | 0 | 0 | 112.3 | L618 Y624 K625 K626 | L618-E622 WeakPolarHBondContact O-CB 3.39Å; L618-E622 WeakPolarHBondContact O-CG 3.37Å; L618-E622 PolarHBondContact O-N 3.02Å; E622-Y624 VanDerWaalsContact C-N 3.31Å; E622-Y624 PolarHBondContact O-N 3.37Å; E622-K625 PolarHBondContact O-N 3.33Å; E622-K626 VanDerWaalsContact O-CG 3.32Å; E622-K626 WeakPolarHBondContact O-CG 3.37Å; E622-K626 PolarHBondContact O-N 3.43Å |
| 623 | N | 68.4 | Low | 64.4 | Low | 88 Ų | 88 | 78.8 Ų | 78.8 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 174.2 | -80.6 | -17.5 | 0 | 0 | 0 | 110.9 | P619 L620 K626 L627 | P619-N623 VanDerWaalsContact O-CB 3.27Å; P619-N623 WeakPolarHBondContact O-CB 3.42Å; P619-N623 VanDerWaalsContact O-CG 3.3Å; P619-N623 PolarHBondContact O-N 3.29Å; P619-N623 PolarHBondContact O-ND2 3.07Å; L620-N623 PolarHBondContact O-N 3.03Å; N623-K626 PolarHBondContact O-N 3.23Å; N623-L627 WeakPolarHBondContact O-CB 3.44Å; N623-L627 WeakPolarHBondContact O-CD1 3.48Å; N623-L627 WeakPolarHBondContact O-CG 2.97Å; N623-L627 PolarHBondContact O-N 3.42Å |
| 624 | Y | 65.4 | Low | 61.9 | Low | 41 Ų | 41 | 83.1 Ų | 83.1 | 16% | 0.161 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177.2 | -144 | -89.7 | 0 | 0 | 0 | 111.8 | I296 K299 Q300 L620 I621 E622 K626 L627 S628 | I296-Y624 HydrophobicContact CB-CD2 4.43Å; I296-Y624 HydrophobicContact CB-CE2 4.38Å; I296-Y624 HydrophobicContact CD1-CD1 4.36Å; I296-Y624 HydrophobicContact CD1-CD2 4.26Å; I296-Y624 HydrophobicContact CD1-CG 3.91Å; I296-Y624 HydrophobicContact CG1-CD1 3.86Å; I296-Y624 HydrophobicContact CG1-CD2 4.05Å; I296-Y624 HydrophobicContact CG1-CE1 4.14Å; I296-Y624 HydrophobicContact CG1-CE2 4.34Å; I296-Y624 HydrophobicContact CG1-CG 3.79Å; I296-Y624 HydrophobicContact CG2-CD2 3.62Å; I296-Y624 HydrophobicContact CG2-CE2 3.51Å; I296-Y624 HydrophobicContact CG2-CG 4.26Å; K299-Y624 VanDerWaalsContact CB-OH 3.29Å; K299-Y624 WeakPolarHBondContact CB-OH 3.16Å; K299-Y624 HydrophobicContact CD-CE1 4.16Å; Q300-Y624 HydrophobicContact CG-CE2 4.4Å; L620-Y624 WeakPolarHBondContact O-CB 3.46Å; L620-Y624 PolarHBondContact O-N 3.01Å; I621-Y624 PolarHBondContact O-N 2.96Å; E622-Y624 VanDerWaalsContact C-N 3.31Å; E622-Y624 PolarHBondContact O-N 3.37Å; Y624-K626 VanDerWaalsContact C-N 3.31Å; Y624-K626 PolarHBondContact O-N 3.17Å; Y624-L627 PolarHBondContact O-N 2.93Å; Y624-S628 WeakPolarHBondContact O-CB 3.36Å; Y624-S628 PolarHBondContact O-N 2.89Å; Y624-S628 PolarHBondContact O-OG 2.97Å |
| 625 | K | 66.3 | Low | 59.4 | Low | 86 Ų | 86 | 82.6 Ų | 82.6 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.8 | -40.1 | 173.7 | -77.9 | 178.7 | 178.9 | -177.8 | 0 | 112.5 | I621 E622 L630 | I621-K625 HydrophobicContact CG2-CD 4.23Å; I621-K625 HydrophobicContact CG2-CG 4.5Å; I621-K625 WeakPolarHBondContact O-CB 3.48Å; I621-K625 WeakPolarHBondContact O-CG 3.42Å; I621-K625 PolarHBondContact O-N 3.16Å; E622-K625 PolarHBondContact O-N 3.33Å; K625-L630 HydrophobicContact CB-CB 4.39Å; K625-L630 HydrophobicContact CG-CB 4.41Å; K625-L630 HydrophobicContact CG-CD1 4.26Å; K625-L630 PolarHBondContact O-N 3.35Å; K625-L630 VanDerWaalsContact O-N 3.09Å |
| 626 | K | 56.2 | Low | 57.1 | Low | 127 Ų | 127 | 84.2 Ų | 84.2 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.2 | -47.4 | 174.1 | -71.8 | 172 | -175.8 | 172.2 | 0 | 111.9 | E622 N623 Y624 S628 N629 | E622-K626 VanDerWaalsContact O-CG 3.32Å; E622-K626 WeakPolarHBondContact O-CG 3.37Å; E622-K626 PolarHBondContact O-N 3.43Å; N623-K626 PolarHBondContact O-N 3.23Å; Y624-K626 VanDerWaalsContact C-N 3.31Å; Y624-K626 PolarHBondContact O-N 3.17Å; K626-S628 VanDerWaalsContact C-N 3.3Å; K626-S628 PolarHBondContact O-N 3.08Å; K626-N629 PolarHBondContact O-N 3.12Å |
| 627 | L | 48.3 | Very low | 54.8 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 75% | 0.749 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -31.7 | -179.2 | -86.1 | 153.5 | 0 | 0 | 0 | 113.5 | N623 Y624 | N623-L627 WeakPolarHBondContact O-CB 3.44Å; N623-L627 WeakPolarHBondContact O-CD1 3.48Å; N623-L627 WeakPolarHBondContact O-CG 2.97Å; N623-L627 PolarHBondContact O-N 3.42Å; Y624-L627 PolarHBondContact O-N 2.93Å |
| 628 | S | 47.4 | Very low | 52.8 | Low | 41 Ų | 41 | 92 Ų | 92 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.6 | -176.6 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | Y624 K626 L630 | Y624-S628 WeakPolarHBondContact O-CB 3.36Å; Y624-S628 PolarHBondContact O-N 2.89Å; Y624-S628 PolarHBondContact O-OG 2.97Å; K626-S628 VanDerWaalsContact C-N 3.3Å; K626-S628 PolarHBondContact O-N 3.08Å; S628-L630 PolarHBondContact O-N 2.87Å; S628-L630 VanDerWaalsContact O-N 3.16Å; S628-L630 WeakPolarHBondContact OG-CD1 3.41Å; S628-L630 WeakPolarHBondContact OG-CG 3.07Å |
| 629 | N | 43 | Very low | 50.9 | Low | 134 Ų | 134 | 92.9 Ų | 92.9 | 72% | 0.717 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 33 | -173.4 | -73.2 | -21.5 | 0 | 0 | 0 | 113.2 | K626 N631 | K626-N629 PolarHBondContact O-N 3.12Å; N629-N631 PolarHBondContact O-N 3.29Å |
| 630 | L | 35.6 | Very low | 49 | Very low | 27 Ų | 27 | 93.8 Ų | 93.8 | 14% | 0.141 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -73.6 | -4.1 | -174 | -86 | 170.5 | 0 | 0 | 0 | 114.7 | K625 S628 E632 S644 N646 | K625-L630 HydrophobicContact CB-CB 4.39Å; K625-L630 HydrophobicContact CG-CB 4.41Å; K625-L630 HydrophobicContact CG-CD1 4.26Å; K625-L630 PolarHBondContact O-N 3.35Å; K625-L630 VanDerWaalsContact O-N 3.09Å; S628-L630 PolarHBondContact O-N 2.87Å; S628-L630 VanDerWaalsContact O-N 3.16Å; S628-L630 WeakPolarHBondContact OG-CD1 3.41Å; S628-L630 WeakPolarHBondContact OG-CG 3.07Å; L630-E632 VanDerWaalsContact C-N 3.29Å; L630-E632 PolarHBondContact O-N 3.35Å; L630-S644 WeakPolarHBondContact CD2-O 3.39Å; L630-N646 VanDerWaalsContact CD1-OD1 3.3Å; L630-N646 WeakPolarHBondContact CD1-OD1 3.15Å |
| 631 | N | 35.8 | Very low | 47.3 | Very low | 122 Ų | 122 | 92.3 Ų | 92.3 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -74.2 | -8.9 | -171.8 | -77 | -13.7 | 0 | 0 | 0 | 114.9 | N629 | N629-N631 PolarHBondContact O-N 3.29Š|
| 632 | E | 34.5 | Very low | 45.5 | Very low | 173 Ų | 173 | 99 Ų | 99 | 81% | 0.808 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -92.5 | 3.5 | -172.2 | -78.7 | -162.3 | 155.3 | 0 | 0 | 116.7 | L630 | L630-E632 VanDerWaalsContact C-N 3.29Å; L630-E632 PolarHBondContact O-N 3.35Å |
| 633 | L | 32.5 | Very low | 43.7 | Very low | 54 Ų | 54 | 102.8 Ų | 102.8 | 28% | 0.283 | 55% | 0.546 | S | S | . | . | trans | -106.8 | 32.5 | -168.3 | -68.8 | 133 | 0 | 0 | 0 | 115.3 | L640 S644 I645 | L633-L640 HydrophobicContact CD2-CB 3.95Å; L633-L640 HydrophobicContact CD2-CD1 4.37Å; L633-S644 WeakPolarHBondContact CD1-O 3.47Å; L633-S644 VanDerWaalsContact CD1-OG 3.25Å; L633-S644 WeakPolarHBondContact CD1-OG 3.47Å; L633-I645 HydrophobicContact CB-CD1 3.92Å; L633-I645 HydrophobicContact CB-CG1 3.83Å; L633-I645 HydrophobicContact CD1-CB 4.34Å; L633-I645 HydrophobicContact CD1-CD1 4.01Å; L633-I645 HydrophobicContact CD1-CG1 3.15Å; L633-I645 HydrophobicContact CD2-CD1 3.47Å; L633-I645 VanDerWaalsContact CD2-CD1 3.47Å; L633-I645 HydrophobicContact CD2-CG1 3.65Å; L633-I645 HydrophobicContact CG-CD1 3.9Å; L633-I645 HydrophobicContact CG-CG1 3.62Å | ||
| 634 | S | 35.8 | Very low | 42.2 | Very low | 92 Ų | 92 | 100.5 Ų | 100.5 | 64% | 0.643 | 54% | 0.537 | S | S | * | . | trans | -80.2 | 111.6 | 153.4 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 635 | N | 35.6 | Very low | 41 | Very low | 137 Ų | 137 | 100 Ų | 100 | 73% | 0.733 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 112.8 | 103.1 | 163.4 | -53.2 | -31.5 | 0 | 0 | 0 | 116.5 | N637 | N635-N637 PolarHBondContact O-N 2.85Š|
| 636 | N | 37.1 | Very low | 39.9 | Very low | 159 Ų | 159 | 97.8 Ų | 97.8 | 85% | 0.85 | 53% | 0.529 | S | S | * | . | trans | 56.6 | 5.5 | 137.6 | -70.1 | -8.3 | 0 | 0 | 0 | 123.1 | ||||
| 637 | N | 38.5 | Very low | 39.3 | Very low | 114 Ų | 114 | 93.2 Ų | 93.2 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | trans | -101.3 | 91.3 | 173.9 | -78.1 | -16.8 | 0 | 0 | 0 | 112.6 | N635 G639 L640 | N635-N637 PolarHBondContact O-N 2.85Å; N637-G639 PolarHBondContact O-N 2.71Å; N637-G639 VanDerWaalsContact O-N 3.09Å; N637-L640 HydrophobicContact CB-CD1 4.04Å; N637-L640 HydrophobicContact CB-CG 4.46Å; N637-L640 PolarHBondContact O-N 3.16Å | ||
| 638 | V | 42.2 | Very low | 39.1 | Very low | 95 Ų | 95 | 86.9 Ų | 86.9 | 58% | 0.576 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -53.9 | -25 | 170.3 | 179 | 0 | 0 | 0 | 0 | 111.9 | L640 L641 | V638-L640 VanDerWaalsContact C-N 3.29Å; V638-L640 PolarHBondContact O-N 2.87Å; V638-L641 HydrophobicContact CG1-CD1 3.87Å; V638-L641 WeakPolarHBondContact O-CD1 3.41Å; V638-L641 WeakPolarHBondContact O-CG 3.49Å; V638-L641 PolarHBondContact O-N 2.93Å |
| 639 | G | 41.4 | Very low | 39 | Very low | 71 Ų | 71 | 89.1 Ų | 89.1 | 73% | 0.732 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -69.1 | -15.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N637 | N637-G639 PolarHBondContact O-N 2.71Å; N637-G639 VanDerWaalsContact O-N 3.09Å |
| 640 | L | 38.7 | Very low | 39.4 | Very low | 72 Ų | 72 | 85.8 Ų | 85.8 | 38% | 0.377 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -90.2 | -0.8 | 178.5 | -82.5 | 164.6 | 0 | 0 | 0 | 113.9 | L633 N637 V638 Q642 K643 | L633-L640 HydrophobicContact CD2-CB 3.95Å; L633-L640 HydrophobicContact CD2-CD1 4.37Å; N637-L640 HydrophobicContact CB-CD1 4.04Å; N637-L640 HydrophobicContact CB-CG 4.46Å; N637-L640 PolarHBondContact O-N 3.16Å; V638-L640 VanDerWaalsContact C-N 3.29Å; V638-L640 PolarHBondContact O-N 2.87Å; L640-Q642 PolarHBondContact O-N 2.8Å; L640-K643 PolarHBondContact O-N 3.13Å |
| 641 | L | 41.9 | Very low | 40.6 | Very low | 48 Ų | 48 | 94.1 Ų | 94.1 | 25% | 0.251 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -54.5 | -23.1 | 173.6 | -75.1 | 164.6 | 0 | 0 | 0 | 112.4 | V638 I645 F647 | V638-L641 HydrophobicContact CG1-CD1 3.87Å; V638-L641 WeakPolarHBondContact O-CD1 3.41Å; V638-L641 WeakPolarHBondContact O-CG 3.49Å; V638-L641 PolarHBondContact O-N 2.93Å; L641-I645 HydrophobicContact CD2-CD1 4.36Å; L641-F647 HydrophobicContact CB-CE2 4.14Å; L641-F647 HydrophobicContact CD2-CE2 3.73Å; L641-F647 HydrophobicContact CD2-CZ 3.65Å; L641-F647 VanDerWaalsContact O-CE2 3.31Å; L641-F647 WeakPolarHBondContact O-CE2 3.31Å |
| 642 | Q | 36.9 | Very low | 42.3 | Very low | 150 Ų | 150 | 91.9 Ų | 91.9 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -75.3 | -18.5 | 178 | -109.9 | 179.8 | 4.8 | 0 | 0 | 115.6 | L640 E670 | L640-Q642 PolarHBondContact O-N 2.8Å; Q642-E670 PolarHBondContact NE2-OE1 2.94Å; Q642-E670 VanDerWaalsContact NE2-OE1 3.12Å |
| 643 | K | 37.2 | Very low | 44.1 | Very low | 184 Ų | 184 | 85.6 Ų | 85.6 | 80% | 0.8 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | -20.9 | -165.7 | -82.1 | -172.9 | 176.3 | -179.8 | 0 | 118.4 | L640 | L640-K643 PolarHBondContact O-N 3.13Š|
| 644 | S | 35.1 | Very low | 46.1 | Very low | 41 Ų | 41 | 83 Ų | 83 | 29% | 0.287 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -151.3 | 5.4 | -166.5 | 39.5 | 0 | 0 | 0 | 0 | 118.5 | L630 L633 | L630-S644 WeakPolarHBondContact CD2-O 3.39Å; L633-S644 WeakPolarHBondContact CD1-O 3.47Å; L633-S644 VanDerWaalsContact CD1-OG 3.25Å; L633-S644 WeakPolarHBondContact CD1-OG 3.47Å |
| 645 | I | 40.6 | Very low | 48 | Very low | 30 Ų | 30 | 80.5 Ų | 80.5 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -118.3 | 112 | -176.9 | -54.6 | 164.9 | 0 | 0 | 0 | 111.1 | L633 L641 F647 L659 | L633-I645 HydrophobicContact CB-CD1 3.92Å; L633-I645 HydrophobicContact CB-CG1 3.83Å; L633-I645 HydrophobicContact CD1-CB 4.34Å; L633-I645 HydrophobicContact CD1-CD1 4.01Å; L633-I645 HydrophobicContact CD1-CG1 3.15Å; L633-I645 HydrophobicContact CD2-CD1 3.47Å; L633-I645 VanDerWaalsContact CD2-CD1 3.47Å; L633-I645 HydrophobicContact CD2-CG1 3.65Å; L633-I645 HydrophobicContact CG-CD1 3.9Å; L633-I645 HydrophobicContact CG-CG1 3.62Å; L641-I645 HydrophobicContact CD2-CD1 4.36Å; I645-F647 WeakPolarHBondContact O-CD2 3.44Å; I645-F647 WeakPolarHBondContact O-CG 3.4Å; I645-F647 PolarHBondContact O-N 3.35Å; I645-L659 HydrophobicContact CG2-CD2 4.17Å |
| 646 | N | 43.5 | Very low | 50 | Low | 39 Ų | 39 | 74.3 Ų | 74.3 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | trans | 33.4 | 12 | 150.3 | -89.2 | -15.5 | 0 | 0 | 0 | 122.6 | L630 N648 | L630-N646 VanDerWaalsContact CD1-OD1 3.3Å; L630-N646 WeakPolarHBondContact CD1-OD1 3.15Å; N646-N648 PolarHBondContact O-N 2.93Å | ||
| 647 | F | 44 | Very low | 51.8 | Low | 32 Ų | 32 | 67.1 Ų | 67.1 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | trans | -74.1 | 116.6 | 173.5 | -66 | -57 | 0 | 0 | 0 | 108 | L641 I645 L649 L654 L656 | L641-F647 HydrophobicContact CB-CE2 4.14Å; L641-F647 HydrophobicContact CD2-CE2 3.73Å; L641-F647 HydrophobicContact CD2-CZ 3.65Å; L641-F647 VanDerWaalsContact O-CE2 3.31Å; L641-F647 WeakPolarHBondContact O-CE2 3.31Å; I645-F647 WeakPolarHBondContact O-CD2 3.44Å; I645-F647 WeakPolarHBondContact O-CG 3.4Å; I645-F647 PolarHBondContact O-N 3.35Å; F647-L649 HydrophobicContact CB-CD1 4.03Å; F647-L649 HydrophobicContact CB-CG 4.03Å; F647-L649 HydrophobicContact CG-CD1 4.46Å; F647-L649 PolarHBondContact O-N 3.14Å; F647-L654 HydrophobicContact CB-CD1 4.15Å; F647-L654 HydrophobicContact CD1-CD1 3.14Å; F647-L654 HydrophobicContact CD1-CD2 4.48Å; F647-L654 HydrophobicContact CD1-CG 4.01Å; F647-L654 HydrophobicContact CE1-CD1 3.6Å; F647-L654 HydrophobicContact CE1-CD2 4.12Å; F647-L654 HydrophobicContact CE1-CG 4.11Å; F647-L654 HydrophobicContact CG-CD1 3.93Å; F647-L656 HydrophobicContact CD1-CD2 3.7Å; F647-L656 HydrophobicContact CE1-CD2 3.21Å; F647-L656 HydrophobicContact CE1-CG 4.23Å; F647-L656 HydrophobicContact CZ-CD2 4.1Å | ||
| 648 | N | 44.2 | Very low | 53.5 | Low | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.053 | 34% | 0.339 | C | S | . | . | trans | -84.4 | 77.9 | 155.1 | -153 | 4.6 | 0 | 0 | 0 | 107.3 | D298 K299 N302 N646 N650 F655 | D298-N648 WeakPolarHBondContact CB-ND2 3.29Å; D298-N648 PolarHBondContact O-ND2 2.95Å; K299-N648 HydrophobicContact CG-CB 4.33Å; K299-N648 PolarHBondContact N-ND2 3.46Å; N302-N648 PolarHBondContact ND2-OD1 3.2Å; N646-N648 PolarHBondContact O-N 2.93Å; N648-N650 PolarHBondContact O-N 3.35Å; N648-F655 HydrophobicContact CB-CD2 4.41Å | ||
| 649 | L | 46 | Very low | 54.8 | Low | 88 Ų | 88 | 61.3 Ų | 61.3 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | trans | -75.1 | 70.5 | 168.3 | -83.1 | 159.2 | 0 | 0 | 0 | 108.2 | F647 L654 F671 | F647-L649 HydrophobicContact CB-CD1 4.03Å; F647-L649 HydrophobicContact CB-CG 4.03Å; F647-L649 HydrophobicContact CG-CD1 4.46Å; F647-L649 PolarHBondContact O-N 3.14Å; L649-L654 HydrophobicContact CD2-CD1 3.97Å; L649-L654 HydrophobicContact CG-CD1 4.05Å; L649-F671 HydrophobicContact CD1-CE1 4.25Å; L649-F671 HydrophobicContact CD2-CD1 4.15Å; L649-F671 HydrophobicContact CD2-CE1 3.85Å | ||
| 650 | N | 50.1 | Low | 55.7 | Low | 63 Ų | 63 | 66.1 Ų | 66.1 | 34% | 0.337 | 32% | 0.32 | S | S | . | . | trans | -66.7 | 137.2 | 149.4 | -96.8 | -17.6 | 0 | 0 | 0 | 106 | N302 N648 N652 N653 | N302-N650 VanDerWaalsContact CG-ND2 3.35Å; N302-N650 PolarHBondContact ND2-ND2 3.01Å; N302-N650 PolarHBondContact ND2-OD1 3.08Å; N302-N650 PolarHBondContact OD1-ND2 2.83Å; N302-N650 PolarHBondContact OD1-OD1 3.45Å; N648-N650 PolarHBondContact O-N 3.35Å; N650-N652 CarbonylContact O-C 3.58Å; N650-N652 PolarHBondContact O-N 3.31Å; N650-N653 PolarHBondContact O-N 3.43Å | ||
| 651 | K | 61.7 | Low | 56.6 | Low | 202 Ų | 202 | 65.3 Ų | 65.3 | 88% | 0.878 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -34.8 | -27.4 | -162.1 | -77.5 | 178.9 | 175.3 | 175.9 | 0 | 117.9 | ||
| 652 | N | 70.1 | Confident | 57.3 | Low | 75 Ų | 75 | 68.3 Ų | 68.3 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 9.5 | 178.8 | -52.1 | -17.2 | 0 | 0 | 0 | 115.8 | N650 N673 L674 S675 I676 | N650-N652 CarbonylContact O-C 3.58Å; N650-N652 PolarHBondContact O-N 3.31Å; N652-N673 WeakPolarHBondContact CB-O 3.32Å; N652-L674 CarbonylContact O-C 3.51Å; N652-L674 WeakPolarHBondContact O-CA 3.5Å; N652-L674 WeakPolarHBondContact O-CD2 3.45Å; N652-S675 WeakPolarHBondContact CB-OG 3.37Å; N652-S675 PolarHBondContact O-N 3.46Å; N652-S675 PolarHBondContact O-OG 3.49Å; N652-I676 PolarHBondContact O-N 3.28Å; N652-I676 VanDerWaalsContact O-N 3.1Å |
| 653 | N | 72.7 | Confident | 58.2 | Low | 41 Ų | 41 | 69.8 Ų | 69.8 | 22% | 0.219 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.7 | -175.5 | -61.4 | -12.5 | 0 | 0 | 0 | 112 | N650 F655 S675 I676 | N650-N653 PolarHBondContact O-N 3.43Å; N653-F655 HydrophobicContact CB-CE2 3.87Å; N653-F655 HydrophobicContact CB-CZ 4.42Å; N653-S675 PolarHBondContact OD1-OG 3.11Å; N653-I676 CarbonylContact C-O 3.16Å; N653-I676 WeakPolarHBondContact CA-O 3.33Å; N653-I676 HydrophobicContact CB-CB 4.25Å; N653-I676 WeakPolarHBondContact OD1-CB 3.46Å; N653-I676 WeakPolarHBondContact OD1-CG1 3.22Å |
| 654 | L | 75.7 | Confident | 59.2 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 128 | 178 | -163.5 | 64.2 | 0 | 0 | 0 | 111.9 | F647 L649 F666 F671 L674 I676 L677 S678 | F647-L654 HydrophobicContact CB-CD1 4.15Å; F647-L654 HydrophobicContact CD1-CD1 3.14Å; F647-L654 HydrophobicContact CD1-CD2 4.48Å; F647-L654 HydrophobicContact CD1-CG 4.01Å; F647-L654 HydrophobicContact CE1-CD1 3.6Å; F647-L654 HydrophobicContact CE1-CD2 4.12Å; F647-L654 HydrophobicContact CE1-CG 4.11Å; F647-L654 HydrophobicContact CG-CD1 3.93Å; L649-L654 HydrophobicContact CD2-CD1 3.97Å; L649-L654 HydrophobicContact CG-CD1 4.05Å; L654-F666 HydrophobicContact CD2-CD1 4.3Å; L654-F666 HydrophobicContact CD2-CE1 3.58Å; L654-F666 HydrophobicContact CD2-CZ 4.37Å; L654-F671 HydrophobicContact CD1-CE1 4.42Å; L654-F671 HydrophobicContact CD2-CD1 4.44Å; L654-F671 HydrophobicContact CD2-CE1 4.27Å; L654-F671 HydrophobicContact CD2-CZ 4.4Å; L654-L674 HydrophobicContact CB-CD1 3.98Å; L654-L674 HydrophobicContact CB-CD2 3.69Å; L654-L674 HydrophobicContact CD2-CD1 3.95Å; L654-I676 PolarHBondContact N-O 3.25Å; L654-L677 HydrophobicContact CB-CD1 3.86Å; L654-L677 HydrophobicContact CD2-CD1 3.84Å; L654-L677 HydrophobicContact CG-CD1 4.1Å; L654-L677 CarbonylContact O-C 3.52Å; L654-L677 WeakPolarHBondContact O-CA 3.46Å; L654-S678 PolarHBondContact O-N 2.86Å |
| 655 | F | 75.7 | Confident | 60.3 | Low | 39 Ų | 39 | 64.6 Ų | 64.6 | 17% | 0.171 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.6 | 179.2 | -58.2 | -88.7 | 0 | 0 | 0 | 110.6 | N295 N648 N653 I676 S678 | N295-F655 VanDerWaalsContact OD1-CB 3.27Å; N295-F655 WeakPolarHBondContact OD1-CB 3.45Å; N648-F655 HydrophobicContact CB-CD2 4.41Å; N653-F655 HydrophobicContact CB-CE2 3.87Å; N653-F655 HydrophobicContact CB-CZ 4.42Å; F655-I676 HydrophobicContact CE1-CG2 4.46Å; F655-I676 HydrophobicContact CZ-CG2 4.36Å; F655-S678 CarbonylContact C-O 3.58Å; F655-S678 VanDerWaalsContact CD1-CB 3.47Å |
| 656 | L | 76 | Confident | 61.2 | Low | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.2 | 177.9 | -65.6 | -174.1 | 0 | 0 | 0 | 109.7 | F647 L659 I664 F666 S678 I679 T680 | F647-L656 HydrophobicContact CD1-CD2 3.7Å; F647-L656 HydrophobicContact CE1-CD2 3.21Å; F647-L656 HydrophobicContact CE1-CG 4.23Å; F647-L656 HydrophobicContact CZ-CD2 4.1Å; L656-L659 HydrophobicContact CB-CD1 4.2Å; L656-L659 HydrophobicContact CD1-CD1 4.34Å; L656-L659 HydrophobicContact CD2-CD1 3.51Å; L656-L659 HydrophobicContact CG-CD1 4.24Å; L656-I664 HydrophobicContact CD1-CD1 4.03Å; L656-F666 HydrophobicContact CD1-CE1 4.13Å; L656-F666 HydrophobicContact CD1-CZ 3.59Å; L656-S678 PolarHBondContact N-O 2.92Å; L656-I679 HydrophobicContact CB-CB 4.49Å; L656-I679 HydrophobicContact CB-CG1 4.44Å; L656-I679 HydrophobicContact CB-CG2 4.18Å; L656-I679 HydrophobicContact CD1-CG1 4.33Å; L656-I679 HydrophobicContact CD1-CG2 4.49Å; L656-I679 CarbonylContact O-C 3.22Å; L656-I679 WeakPolarHBondContact O-CA 3.5Å; L656-T680 PolarHBondContact O-N 3.01Å |
| 657 | N | 75 | Confident | 61.8 | Low | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.2 | -179.1 | -174.1 | 23.2 | 0 | 0 | 0 | 110.3 | K288 R291 F292 L659 T680 H681 | K288-N657 PolarHBondContact O-ND2 3.48Å; R291-N657 HydrophobicContact CB-CB 4.49Å; R291-N657 WeakPolarHBondContact CB-ND2 3.25Å; F292-N657 WeakPolarHBondContact CD2-ND2 3.23Å; F292-N657 WeakPolarHBondContact CE2-ND2 3.2Å; F292-N657 PolarHBondContact N-ND2 2.96Å; N657-L659 VanDerWaalsContact C-N 3.28Å; N657-L659 PolarHBondContact O-N 2.93Å; N657-T680 WeakPolarHBondContact CA-O 3.34Å; N657-H681 PolarHBondContact OD1-CD2 2.89Å |
| 658 | D | 74.9 | Confident | 62.5 | Low | 54 Ų | 54 | 68.8 Ų | 68.8 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 56 | 35.2 | 173.5 | -166.7 | 48.6 | 0 | 0 | 0 | 115 | K288 F292 T680 H681 | K288-D658 HydrophobicContact CD-CB 4.44Å; K288-D658 WeakPolarHBondContact CE-OD1 3.04Å; K288-D658 WeakPolarHBondContact CE-OD2 3.39Å; K288-D658 IonicContact NZ-OD1 2.94Å; K288-D658 PolarHBondContact NZ-OD1 3.03Å; K288-D658 IonicContact NZ-OD2 3.55Å; K288-D658 PolarHBondContact NZ-OD2 2.87Å; F292-D658 HydrophobicContact CE2-CB 3.82Å; F292-D658 HydrophobicContact CZ-CB 4.04Å; D658-T680 PolarHBondContact N-O 3.4Å; D658-H681 WeakPolarHBondContact CA-O 3.19Å |
| 659 | L | 68.8 | Low | 63.3 | Low | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.173 | 37% | 0.368 | C | S | . | . | trans | -91 | 111.5 | 175.1 | -67.9 | 179 | 0 | 0 | 0 | 110 | I645 L656 N657 I661 C682 | I645-L659 HydrophobicContact CG2-CD2 4.17Å; L656-L659 HydrophobicContact CB-CD1 4.2Å; L656-L659 HydrophobicContact CD1-CD1 4.34Å; L656-L659 HydrophobicContact CD2-CD1 3.51Å; L656-L659 HydrophobicContact CG-CD1 4.24Å; N657-L659 VanDerWaalsContact C-N 3.28Å; N657-L659 PolarHBondContact O-N 2.93Å; L659-I661 HydrophobicContact CB-CD1 3.95Å; L659-I661 HydrophobicContact CB-CG1 4.09Å; L659-I661 HydrophobicContact CD1-CD1 4.1Å; L659-I661 HydrophobicContact CG-CD1 4.45Å; L659-I661 PolarHBondContact O-N 3.4Å; L659-C682 WeakPolarHBondContact O-CA 3.15Å; L659-C682 WeakPolarHBondContact O-CB 3.38Å | ||
| 660 | K | 61.6 | Low | 64 | Low | 171 Ų | 171 | 74.3 Ų | 74.3 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | trans | -74 | 73.7 | 170 | -70.1 | -175.1 | 178.8 | 179.6 | 0 | 110.3 | ||||
| 661 | I | 56.4 | Low | 64.7 | Low | 55 Ų | 55 | 72.3 Ų | 72.3 | 28% | 0.282 | 36% | 0.36 | S | S | . | . | trans | -126 | 108.9 | 178.3 | -53.2 | 172.5 | 0 | 0 | 0 | 107.7 | L659 K663 I664 | L659-I661 HydrophobicContact CB-CD1 3.95Å; L659-I661 HydrophobicContact CB-CG1 4.09Å; L659-I661 HydrophobicContact CD1-CD1 4.1Å; L659-I661 HydrophobicContact CG-CD1 4.45Å; L659-I661 PolarHBondContact O-N 3.4Å; I661-K663 PolarHBondContact O-N 3.47Å; I661-I664 HydrophobicContact CB-CD1 4.47Å; I661-I664 HydrophobicContact CB-CG1 3.9Å; I661-I664 HydrophobicContact CG2-CG1 3.83Å | ||
| 662 | S | 57.4 | Low | 64.9 | Low | 111 Ų | 111 | 65.1 Ų | 65.1 | 78% | 0.776 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -70.1 | -15.7 | -175.4 | 54.9 | 0 | 0 | 0 | 0 | 114 | ||
| 663 | K | 56.1 | Low | 65.1 | Low | 182 Ų | 182 | 66.1 Ų | 66.1 | 79% | 0.791 | 34% | 0.34 | S | S | * | . | trans | -146.6 | 89.6 | 177.2 | -71.2 | -176 | 178.8 | 176.4 | 0 | 110 | I661 | I661-K663 PolarHBondContact O-N 3.47Š| ||
| 664 | I | 57.2 | Low | 65.3 | Low | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | trans | -78.8 | 133.9 | 164.1 | -58.5 | 169.8 | 0 | 0 | 0 | 106.5 | L656 I661 F666 P688 | L656-I664 HydrophobicContact CD1-CD1 4.03Å; I661-I664 HydrophobicContact CB-CD1 4.47Å; I661-I664 HydrophobicContact CB-CG1 3.9Å; I661-I664 HydrophobicContact CG2-CG1 3.83Å; I664-F666 HydrophobicContact CB-CE2 4.27Å; I664-F666 HydrophobicContact CG2-CD1 4.32Å; I664-F666 HydrophobicContact CG2-CD2 3.69Å; I664-F666 HydrophobicContact CG2-CE1 3.96Å; I664-F666 HydrophobicContact CG2-CE2 3.29Å; I664-F666 HydrophobicContact CG2-CG 4.22Å; I664-F666 HydrophobicContact CG2-CZ 3.46Å; I664-F666 VanDerWaalsContact CG2-CZ 3.46Å; I664-P688 HydrophobicContact CB-CB 4.01Å; I664-P688 HydrophobicContact CB-CG 4.25Å; I664-P688 HydrophobicContact CG2-CB 4.48Å; I664-P688 WeakPolarHBondContact O-CB 3.43Å | ||
| 665 | N | 58.9 | Low | 65.8 | Low | 92 Ų | 92 | 65.3 Ų | 65.3 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | trans | -127.9 | 108.5 | 173.8 | -147.1 | 13.6 | 0 | 0 | 0 | 107.9 | H667 F668 S689 | N665-H667 PolarHBondContact O-N 3.49Å; N665-H667 VanDerWaalsContact O-N 3.13Å; N665-F668 WeakPolarHBondContact O-CE2 3.49Å; N665-S689 PolarHBondContact OD1-OG 2.97Å | ||
| 666 | F | 59.4 | Low | 66.3 | Low | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.035 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 57.9 | -177.7 | -66 | -81.3 | 0 | 0 | 0 | 110.5 | L654 L656 I664 F671 L677 I679 P688 S689 I690 | L654-F666 HydrophobicContact CD2-CD1 4.3Å; L654-F666 HydrophobicContact CD2-CE1 3.58Å; L654-F666 HydrophobicContact CD2-CZ 4.37Å; L656-F666 HydrophobicContact CD1-CE1 4.13Å; L656-F666 HydrophobicContact CD1-CZ 3.59Å; I664-F666 HydrophobicContact CB-CE2 4.27Å; I664-F666 HydrophobicContact CG2-CD1 4.32Å; I664-F666 HydrophobicContact CG2-CD2 3.69Å; I664-F666 HydrophobicContact CG2-CE1 3.96Å; I664-F666 HydrophobicContact CG2-CE2 3.29Å; I664-F666 HydrophobicContact CG2-CG 4.22Å; I664-F666 HydrophobicContact CG2-CZ 3.46Å; I664-F666 VanDerWaalsContact CG2-CZ 3.46Å; F666-F671 AromaticContact CD1-CD2 3.89Å; F666-F671 HydrophobicContact CD1-CD2 3.89Å; F666-F671 HydrophobicContact CD1-CE2 4.07Å; F666-L677 HydrophobicContact CE1-CD1 4.43Å; F666-L677 HydrophobicContact CE2-CD2 4.41Å; F666-L677 HydrophobicContact CZ-CD1 4.09Å; F666-I679 HydrophobicContact CE2-CD1 3.6Å; F666-I679 HydrophobicContact CZ-CD1 3.86Å; F666-P688 HydrophobicContact CD2-CB 4.23Å; F666-P688 HydrophobicContact CD2-CG 4.06Å; F666-P688 HydrophobicContact CE2-CB 4.35Å; F666-P688 HydrophobicContact CE2-CG 3.77Å; F666-S689 PolarHBondContact N-O 3.06Å; F666-I690 HydrophobicContact CB-CG1 4.46Å; F666-I690 HydrophobicContact CD2-CG1 3.57Å; F666-I690 HydrophobicContact CE2-CG1 4.12Å; F666-I690 HydrophobicContact CG-CG1 4.34Å |
| 667 | H | 55.8 | Low | 66.7 | Low | 103 Ų | 103 | 65.3 Ų | 65.3 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | trans | -91.1 | 19.8 | 175.1 | -97.2 | 54.5 | 0 | 0 | 0 | 112.8 | N665 S689 | N665-H667 PolarHBondContact O-N 3.49Å; N665-H667 VanDerWaalsContact O-N 3.13Å; H667-S689 PolarHBondContact CE1-OG 3.05Å; H667-S689 PolarHBondContact ND1-OG 3.07Å | ||
| 668 | F | 57.8 | Low | 67.2 | Low | 79 Ų | 79 | 65.3 Ų | 65.3 | 35% | 0.346 | 34% | 0.34 | S | S | . | . | trans | -90.1 | 124.5 | -173.3 | -68.9 | -74.2 | 0 | 0 | 0 | 110.8 | N665 E670 F671 | N665-F668 WeakPolarHBondContact O-CE2 3.49Å; F668-E670 WeakPolarHBondContact CB-OE2 3.45Å; F668-E670 PolarHBondContact O-N 2.96Å; F668-F671 HydrophobicContact CB-CD2 3.58Å; F668-F671 HydrophobicContact CB-CE2 3.81Å; F668-F671 HydrophobicContact CB-CG 4.36Å; F668-F671 HydrophobicContact CD2-CD2 4.15Å; F668-F671 AromaticContact CD2-CE2 3.78Å; F668-F671 HydrophobicContact CD2-CE2 3.78Å; F668-F671 HydrophobicContact CG-CD2 4.3Å; F668-F671 HydrophobicContact CG-CE2 4.09Å; F668-F671 PolarHBondContact O-N 3.19Å | ||
| 669 | P | 61 | Low | 67.6 | Low | 102 Ų | 102 | 62.8 Ų | 62.8 | 66% | 0.662 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -61.3 | -23.1 | 176.7 | 23.7 | -30.8 | 0 | 0 | 0 | 112.1 | F671 S672 | P669-F671 PolarHBondContact O-N 3.03Å; P669-F671 VanDerWaalsContact O-N 3.14Å; P669-S672 WeakPolarHBondContact O-CB 3.45Å; P669-S672 PolarHBondContact O-N 3.41Å; P669-S672 PolarHBondContact O-OG 3.16Å; P669-S672 VanDerWaalsContact O-OG 3.11Å |
| 670 | E | 60.8 | Low | 68.4 | Low | 112 Ų | 112 | 61.3 Ų | 61.3 | 52% | 0.523 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -62.1 | -19.2 | 174.8 | -58.7 | 115.4 | 143 | 0 | 0 | 113.3 | Q642 F668 | Q642-E670 PolarHBondContact NE2-OE1 2.94Å; Q642-E670 VanDerWaalsContact NE2-OE1 3.12Å; F668-E670 WeakPolarHBondContact CB-OE2 3.45Å; F668-E670 PolarHBondContact O-N 2.96Å |
| 671 | F | 65.3 | Low | 69.5 | Low | 21 Ų | 21 | 53.5 Ų | 53.5 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -102.5 | 3.3 | -179.9 | -60.6 | -36.5 | 0 | 0 | 0 | 113.9 | L649 L654 F666 F668 P669 N673 L674 C692 | L649-F671 HydrophobicContact CD1-CE1 4.25Å; L649-F671 HydrophobicContact CD2-CD1 4.15Å; L649-F671 HydrophobicContact CD2-CE1 3.85Å; L654-F671 HydrophobicContact CD1-CE1 4.42Å; L654-F671 HydrophobicContact CD2-CD1 4.44Å; L654-F671 HydrophobicContact CD2-CE1 4.27Å; L654-F671 HydrophobicContact CD2-CZ 4.4Å; F666-F671 AromaticContact CD1-CD2 3.89Å; F666-F671 HydrophobicContact CD1-CD2 3.89Å; F666-F671 HydrophobicContact CD1-CE2 4.07Å; F668-F671 HydrophobicContact CB-CD2 3.58Å; F668-F671 HydrophobicContact CB-CE2 3.81Å; F668-F671 HydrophobicContact CB-CG 4.36Å; F668-F671 HydrophobicContact CD2-CD2 4.15Å; F668-F671 AromaticContact CD2-CE2 3.78Å; F668-F671 HydrophobicContact CD2-CE2 3.78Å; F668-F671 HydrophobicContact CG-CD2 4.3Å; F668-F671 HydrophobicContact CG-CE2 4.09Å; F668-F671 PolarHBondContact O-N 3.19Å; P669-F671 PolarHBondContact O-N 3.03Å; P669-F671 VanDerWaalsContact O-N 3.14Å; F671-N673 PolarHBondContact O-N 2.83Å; F671-N673 VanDerWaalsContact O-N 3.08Å; F671-L674 HydrophobicContact CB-CD1 3.57Å; F671-L674 HydrophobicContact CB-CG 4.06Å; F671-L674 HydrophobicContact CD1-CD1 3.99Å; F671-L674 HydrophobicContact CD1-CG 4.42Å; F671-L674 HydrophobicContact CG-CD1 3.89Å; F671-L674 WeakPolarHBondContact O-CB 3.11Å; F671-L674 WeakPolarHBondContact O-CG 3.17Å; F671-L674 PolarHBondContact O-N 2.76Å; F671-L674 VanDerWaalsContact O-N 3.07Å; F671-C692 PolarHBondContact O-SG 3.06Å; F671-C692 VanDerWaalsContact O-SG 3.33Å |
| 672 | S | 67.1 | Low | 70.6 | Confident | 50 Ų | 50 | 51 Ų | 51 | 35% | 0.35 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.9 | -176.4 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | P669 H694 | P669-S672 WeakPolarHBondContact O-CB 3.45Å; P669-S672 PolarHBondContact O-N 3.41Å; P669-S672 PolarHBondContact O-OG 3.16Å; P669-S672 VanDerWaalsContact O-OG 3.11Å; S672-H694 PolarHBondContact O-ND1 3.37Å |
| 673 | N | 73.8 | Confident | 71.7 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 9.6 | -177.4 | -62.2 | -11.2 | 0 | 0 | 0 | 113.1 | N652 F671 S675 | N652-N673 WeakPolarHBondContact CB-O 3.32Å; F671-N673 PolarHBondContact O-N 2.83Å; F671-N673 VanDerWaalsContact O-N 3.08Å; N673-S675 PolarHBondContact O-N 3.34Å |
| 674 | L | 77.4 | Confident | 73 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | trans | -60.5 | 124 | 175.7 | -79.2 | 174.5 | 0 | 0 | 0 | 110.8 | N652 L654 F671 H694 L695 | N652-L674 CarbonylContact O-C 3.51Å; N652-L674 WeakPolarHBondContact O-CA 3.5Å; N652-L674 WeakPolarHBondContact O-CD2 3.45Å; L654-L674 HydrophobicContact CB-CD1 3.98Å; L654-L674 HydrophobicContact CB-CD2 3.69Å; L654-L674 HydrophobicContact CD2-CD1 3.95Å; F671-L674 HydrophobicContact CB-CD1 3.57Å; F671-L674 HydrophobicContact CB-CG 4.06Å; F671-L674 HydrophobicContact CD1-CD1 3.99Å; F671-L674 HydrophobicContact CD1-CG 4.42Å; F671-L674 HydrophobicContact CG-CD1 3.89Å; F671-L674 WeakPolarHBondContact O-CB 3.11Å; F671-L674 WeakPolarHBondContact O-CG 3.17Å; F671-L674 PolarHBondContact O-N 2.76Å; F671-L674 VanDerWaalsContact O-N 3.07Å; L674-H694 CarbonylContact O-C 3.34Å; L674-L695 HydrophobicContact CB-CD1 4.09Å; L674-L695 WeakPolarHBondContact O-CA 3.3Å; L674-L695 PolarHBondContact O-N 3.01Å | ||
| 675 | S | 86 | Confident | 74.3 | Confident | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -91.4 | -36.1 | 167.6 | 52 | 0 | 0 | 0 | 0 | 112.5 | N652 N653 N673 I696 T697 | N652-S675 WeakPolarHBondContact CB-OG 3.37Å; N652-S675 PolarHBondContact O-N 3.46Å; N652-S675 PolarHBondContact O-OG 3.49Å; N653-S675 PolarHBondContact OD1-OG 3.11Å; N673-S675 PolarHBondContact O-N 3.34Å; S675-I696 WeakPolarHBondContact O-CA 3.17Å; S675-I696 WeakPolarHBondContact O-CB 3.13Å; S675-I696 PolarHBondContact O-N 2.75Å; S675-T697 PolarHBondContact O-N 3Å |
| 676 | I | 85.5 | Confident | 75.3 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.2 | -176.2 | -54.6 | -178.6 | 0 | 0 | 0 | 109.8 | N652 N653 L654 F655 T697 | N652-I676 PolarHBondContact O-N 3.28Å; N652-I676 VanDerWaalsContact O-N 3.1Å; N653-I676 CarbonylContact C-O 3.16Å; N653-I676 WeakPolarHBondContact CA-O 3.33Å; N653-I676 HydrophobicContact CB-CB 4.25Å; N653-I676 WeakPolarHBondContact OD1-CB 3.46Å; N653-I676 WeakPolarHBondContact OD1-CG1 3.22Å; L654-I676 PolarHBondContact N-O 3.25Å; F655-I676 HydrophobicContact CE1-CG2 4.46Å; F655-I676 HydrophobicContact CZ-CG2 4.36Å; I676-T697 WeakPolarHBondContact CA-O 3.27Å; I676-T697 HydrophobicContact CG2-CG2 4.3Å |
| 677 | L | 85.3 | Confident | 76.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 123.4 | 174.6 | 176.4 | 59.2 | 0 | 0 | 0 | 109.8 | L654 F666 I679 I690 L695 T697 L698 I699 | L654-L677 HydrophobicContact CB-CD1 3.86Å; L654-L677 HydrophobicContact CD2-CD1 3.84Å; L654-L677 HydrophobicContact CG-CD1 4.1Å; L654-L677 CarbonylContact O-C 3.52Å; L654-L677 WeakPolarHBondContact O-CA 3.46Å; F666-L677 HydrophobicContact CE1-CD1 4.43Å; F666-L677 HydrophobicContact CE2-CD2 4.41Å; F666-L677 HydrophobicContact CZ-CD1 4.09Å; L677-I679 HydrophobicContact CD1-CD1 4.13Å; L677-I679 HydrophobicContact CD1-CG1 3.85Å; L677-I679 HydrophobicContact CD2-CD1 4.05Å; L677-I679 HydrophobicContact CG-CD1 4.07Å; L677-I679 HydrophobicContact CG-CG1 3.98Å; L677-I690 HydrophobicContact CD2-CD1 3.7Å; L677-I690 HydrophobicContact CD2-CG1 3.99Å; L677-I690 HydrophobicContact CD2-CG2 3.97Å; L677-L695 HydrophobicContact CB-CD1 3.61Å; L677-L695 HydrophobicContact CB-CD2 4.16Å; L677-L695 HydrophobicContact CB-CG 4.49Å; L677-L695 HydrophobicContact CD2-CD2 4.5Å; L677-T697 PolarHBondContact N-O 3.45Å; L677-L698 HydrophobicContact CB-CD1 4.04Å; L677-L698 HydrophobicContact CD2-CD1 3.94Å; L677-L698 HydrophobicContact CG-CD1 3.92Å; L677-L698 CarbonylContact O-C 3.31Å; L677-L698 WeakPolarHBondContact O-CA 3.41Å; L677-I699 PolarHBondContact O-N 3.26Å |
| 678 | S | 84.7 | Confident | 76.7 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.9 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | L654 F655 L656 I699 | L654-S678 PolarHBondContact O-N 2.86Å; F655-S678 CarbonylContact C-O 3.58Å; F655-S678 VanDerWaalsContact CD1-CB 3.47Å; L656-S678 PolarHBondContact N-O 2.92Å; S678-I699 CarbonylContact C-O 3.28Å; S678-I699 VanDerWaalsContact CA-O 3.3Å; S678-I699 WeakPolarHBondContact CA-O 3.48Å |
| 679 | I | 83.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 91.1 | 179.2 | -46.6 | 174.2 | 0 | 0 | 0 | 108.7 | L656 F666 L677 C682 L684 P688 I699 I700 N703 | L656-I679 HydrophobicContact CB-CB 4.49Å; L656-I679 HydrophobicContact CB-CG1 4.44Å; L656-I679 HydrophobicContact CB-CG2 4.18Å; L656-I679 HydrophobicContact CD1-CG1 4.33Å; L656-I679 HydrophobicContact CD1-CG2 4.49Å; L656-I679 CarbonylContact O-C 3.22Å; L656-I679 WeakPolarHBondContact O-CA 3.5Å; F666-I679 HydrophobicContact CE2-CD1 3.6Å; F666-I679 HydrophobicContact CZ-CD1 3.86Å; L677-I679 HydrophobicContact CD1-CD1 4.13Å; L677-I679 HydrophobicContact CD1-CG1 3.85Å; L677-I679 HydrophobicContact CD2-CD1 4.05Å; L677-I679 HydrophobicContact CG-CD1 4.07Å; L677-I679 HydrophobicContact CG-CG1 3.98Å; I679-C682 HydrophobicContact CG2-CB 4.01Å; I679-L684 HydrophobicContact CB-CD1 4.44Å; I679-L684 HydrophobicContact CG2-CD1 3.55Å; I679-P688 HydrophobicContact CD1-CG 4.16Å; I679-I699 PolarHBondContact N-O 2.82Å; I679-I700 WeakPolarHBondContact O-CA 3.28Å; I679-N703 PolarHBondContact O-ND2 3.38Å |
| 680 | T | 85.8 | Confident | 77.4 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.2 | -174.4 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | L656 N657 D658 C682 I699 N701 | L656-T680 PolarHBondContact O-N 3.01Å; N657-T680 WeakPolarHBondContact CA-O 3.34Å; D658-T680 PolarHBondContact N-O 3.4Å; T680-C682 PolarHBondContact O-N 3.03Å; T680-C682 PolarHBondContact O-SG 3.37Å; T680-I699 HydrophobicContact CG2-CG2 4.1Å; T680-N701 VanDerWaalsContact CA-O 3.29Å; T680-N701 WeakPolarHBondContact CA-O 3.37Å; T680-N701 WeakPolarHBondContact CB-O 3.49Å; T680-N701 HydrophobicContact CG2-CB 4.1Å |
| 681 | H | 83.7 | Confident | 77.6 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 55.8 | 22.9 | 177.9 | -54.7 | -81.4 | 0 | 0 | 0 | 115.6 | Q284 D287 K288 N657 D658 Q683 H702 | Q284-H681 WeakPolarHBondContact CG-ND1 3.09Å; Q284-H681 PolarHBondContact O-CE1 3.32Å; Q284-H681 VanDerWaalsContact O-CE1 3.27Å; D287-H681 IonicContact OD2-CD2 2.93Å; D287-H681 IonicContact OD2-CE1 3.71Å; D287-H681 IonicContact OD2-NE2 3.86Å; D287-H681 PolarHBondContact OD2-NE2 3.06Å; K288-H681 PolarHBondContact N-NE2 3.34Å; N657-H681 PolarHBondContact OD1-CD2 2.89Å; D658-H681 WeakPolarHBondContact CA-O 3.19Å; H681-Q683 VanDerWaalsContact C-N 3.31Å; H681-Q683 PolarHBondContact O-N 2.96Å; H681-H702 WeakPolarHBondContact CA-O 3.25Å; H681-H702 WeakPolarHBondContact CE1-CB 3.48Å; H681-H702 AromaticContact CE1-CD2 3.6Å; H681-H702 AromaticContact CE1-CG 3.33Å; H681-H702 AromaticContact CE1-ND1 3.94Å; H681-H702 PolarHBondContact N-O 2.78Å; H681-H702 WeakPolarHBondContact ND1-CB 3.41Å; H681-H702 AromaticContact ND1-CG 3.97Å; H681-H702 AromaticContact NE2-CD2 3.69Å; H681-H702 AromaticContact NE2-CG 3.83Å |
| 682 | C | 80.6 | Confident | 77.8 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.027 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -91.2 | 7.7 | -177.5 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | L659 I679 T680 L684 N703 | L659-C682 WeakPolarHBondContact O-CA 3.15Å; L659-C682 WeakPolarHBondContact O-CB 3.38Å; I679-C682 HydrophobicContact CG2-CB 4.01Å; T680-C682 PolarHBondContact O-N 3.03Å; T680-C682 PolarHBondContact O-SG 3.37Å; C682-L684 HydrophobicContact CB-CD1 4.28Å; C682-L684 HydrophobicContact CB-CG 3.92Å; C682-L684 PolarHBondContact O-N 2.98Å; C682-N703 PolarHBondContact N-OD1 2.9Å; C682-N703 VanDerWaalsContact N-OD1 3.14Å |
| 683 | Q | 80.6 | Confident | 78 | Confident | 126 Ų | 126 | 38.6 Ų | 38.6 | 59% | 0.589 | 21% | 0.208 | S | C | * | . | trans | 57.5 | 26.8 | -179.3 | -53.8 | -176.1 | -24.7 | 0 | 0 | 113.7 | H681 D685 N703 | H681-Q683 VanDerWaalsContact C-N 3.31Å; H681-Q683 PolarHBondContact O-N 2.96Å; Q683-D685 PolarHBondContact O-N 3.29Å; Q683-N703 PolarHBondContact N-OD1 3.46Å | ||
| 684 | L | 82 | Confident | 78.4 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | trans | -69 | 124.8 | -176.1 | -66.2 | 175.3 | 0 | 0 | 0 | 111.4 | I679 C682 N703 Q704 L705 | I679-L684 HydrophobicContact CB-CD1 4.44Å; I679-L684 HydrophobicContact CG2-CD1 3.55Å; C682-L684 HydrophobicContact CB-CD1 4.28Å; C682-L684 HydrophobicContact CB-CG 3.92Å; C682-L684 PolarHBondContact O-N 2.98Å; L684-N703 HydrophobicContact CB-CB 4.13Å; L684-N703 PolarHBondContact N-OD1 3.04Å; L684-N703 VanDerWaalsContact N-OD1 3.14Å; L684-Q704 CarbonylContact O-C 3.08Å; L684-Q704 VanDerWaalsContact O-CA 3.23Å; L684-Q704 WeakPolarHBondContact O-CA 3.27Å; L684-Q704 WeakPolarHBondContact O-CB 3.17Å; L684-Q704 PolarHBondContact O-N 3.11Å; L684-L705 PolarHBondContact O-N 3.35Å | ||
| 685 | D | 84.4 | Confident | 78.9 | Confident | 96 Ų | 96 | 39.1 Ų | 39.1 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -90.5 | -16.6 | 170.8 | 64.4 | -8.4 | 0 | 0 | 0 | 112.8 | Q683 | Q683-D685 PolarHBondContact O-N 3.29Š|
| 686 | T | 80.6 | Confident | 79.2 | Confident | 76 Ų | 76 | 41.4 Ų | 41.4 | 47% | 0.466 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -139.7 | 149.9 | 179.2 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | L705 | T686-L705 VanDerWaalsContact C-CD2 3.41Š|
| 687 | I | 76.2 | Confident | 79.5 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | trans | -77.2 | 125.3 | 175.6 | -57 | 174.2 | 0 | 0 | 0 | 107.7 | I690 I700 L705 S710 I711 | I687-I690 HydrophobicContact CG2-CD1 3.78Å; I687-I700 HydrophobicContact CD1-CD1 3.93Å; I687-I700 HydrophobicContact CG1-CD1 4.05Å; I687-I700 HydrophobicContact CG2-CD1 4.16Å; I687-L705 HydrophobicContact CD1-CD1 4.1Å; I687-L705 HydrophobicContact CG1-CD1 3.73Å; I687-L705 HydrophobicContact CG1-CD2 3.8Å; I687-L705 HydrophobicContact CG1-CG 4.45Å; I687-S710 WeakPolarHBondContact CB-OG 3.47Å; I687-S710 PolarHBondContact N-OG 3.42Å; I687-I711 HydrophobicContact CD1-CB 3.71Å; I687-I711 HydrophobicContact CD1-CD1 4.32Å; I687-I711 HydrophobicContact CD1-CG1 3.91Å | ||
| 688 | P | 68.5 | Low | 79.8 | Confident | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.078 | 21% | 0.211 | C | C | . | . | trans | -60.8 | 152.5 | 176.6 | 24.5 | -33.5 | 0 | 0 | 0 | 111.1 | I664 F666 I679 I690 | I664-P688 HydrophobicContact CB-CB 4.01Å; I664-P688 HydrophobicContact CB-CG 4.25Å; I664-P688 HydrophobicContact CG2-CB 4.48Å; I664-P688 WeakPolarHBondContact O-CB 3.43Å; F666-P688 HydrophobicContact CD2-CB 4.23Å; F666-P688 HydrophobicContact CD2-CG 4.06Å; F666-P688 HydrophobicContact CE2-CB 4.35Å; F666-P688 HydrophobicContact CE2-CG 3.77Å; I679-P688 HydrophobicContact CD1-CG 4.16Å; P688-I690 HydrophobicContact CG-CD1 4.33Å; P688-I690 HydrophobicContact CG-CG1 4.37Å; P688-I690 WeakPolarHBondContact O-CG1 3.42Å; P688-I690 PolarHBondContact O-N 3.26Å | ||
| 689 | S | 66.9 | Low | 80.1 | Confident | 51 Ų | 51 | 41.1 Ų | 41.1 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | trans | -65.5 | 110.9 | 177 | 92.4 | 0 | 0 | 0 | 0 | 109.2 | N665 F666 H667 | N665-S689 PolarHBondContact OD1-OG 2.97Å; F666-S689 PolarHBondContact N-O 3.06Å; H667-S689 PolarHBondContact CE1-OG 3.05Å; H667-S689 PolarHBondContact ND1-OG 3.07Å | ||
| 690 | I | 66.1 | Low | 80.4 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -110.1 | 101.5 | -178.8 | -63 | 152.3 | 0 | 0 | 0 | 106.8 | F666 L677 I687 P688 C692 L698 M714 | F666-I690 HydrophobicContact CB-CG1 4.46Å; F666-I690 HydrophobicContact CD2-CG1 3.57Å; F666-I690 HydrophobicContact CE2-CG1 4.12Å; F666-I690 HydrophobicContact CG-CG1 4.34Å; L677-I690 HydrophobicContact CD2-CD1 3.7Å; L677-I690 HydrophobicContact CD2-CG1 3.99Å; L677-I690 HydrophobicContact CD2-CG2 3.97Å; I687-I690 HydrophobicContact CG2-CD1 3.78Å; P688-I690 HydrophobicContact CG-CD1 4.33Å; P688-I690 HydrophobicContact CG-CG1 4.37Å; P688-I690 WeakPolarHBondContact O-CG1 3.42Å; P688-I690 PolarHBondContact O-N 3.26Å; I690-C692 HydrophobicContact CG2-CB 3.72Å; I690-C692 PolarHBondContact O-N 2.73Å; I690-L698 HydrophobicContact CD1-CD1 4.48Å; I690-M714 HydrophobicContact CB-CE 3.91Å; I690-M714 HydrophobicContact CD1-CE 4.11Å; I690-M714 HydrophobicContact CG2-CE 4.05Å |
| 691 | Q | 64.9 | Low | 80.6 | Confident | 127 Ų | 127 | 41.5 Ų | 41.5 | 59% | 0.593 | 22% | 0.217 | S | C | * | . | trans | -88.7 | 50.7 | 173.4 | -79.2 | -173.9 | -18.4 | 0 | 0 | 111.4 | ||||
| 692 | C | 70.5 | Confident | 80.8 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | trans | -103.7 | 82.2 | 178.2 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | F671 I690 H694 L695 | F671-C692 PolarHBondContact O-SG 3.06Å; F671-C692 VanDerWaalsContact O-SG 3.33Å; I690-C692 HydrophobicContact CG2-CB 3.72Å; I690-C692 PolarHBondContact O-N 2.73Å; C692-H694 PolarHBondContact O-N 3.29Å; C692-H694 VanDerWaalsContact O-N 3.1Å; C692-L695 HydrophobicContact CB-CB 4.09Å; C692-L695 HydrophobicContact CB-CD1 4.38Å; C692-L695 VanDerWaalsContact O-CB 3.3Å; C692-L695 WeakPolarHBondContact O-CB 3.35Å; C692-L695 PolarHBondContact O-N 3.07Å; C692-L695 VanDerWaalsContact O-N 3.09Å | ||
| 693 | N | 71.7 | Confident | 81.2 | Confident | 96 Ų | 96 | 41.4 Ų | 41.4 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.9 | -178.1 | -68.6 | -13.6 | 0 | 0 | 0 | 113.8 | Q716 | N693-Q716 WeakPolarHBondContact O-CG 3.45Š|
| 694 | H | 81.6 | Confident | 81.5 | Confident | 108 Ų | 108 | 39.2 Ų | 39.2 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.5 | 179.2 | -58.3 | 96.3 | 0 | 0 | 0 | 113.7 | S672 L674 C692 I696 | S672-H694 PolarHBondContact O-ND1 3.37Å; L674-H694 CarbonylContact O-C 3.34Å; C692-H694 PolarHBondContact O-N 3.29Å; C692-H694 VanDerWaalsContact O-N 3.1Å; H694-I696 PolarHBondContact O-N 2.83Å |
| 695 | L | 87.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -66.1 | 124.7 | -177.2 | -159.4 | 77.4 | 0 | 0 | 0 | 110.7 | L674 L677 C692 L698 M714 Q716 L717 | L674-L695 HydrophobicContact CB-CD1 4.09Å; L674-L695 WeakPolarHBondContact O-CA 3.3Å; L674-L695 PolarHBondContact O-N 3.01Å; L677-L695 HydrophobicContact CB-CD1 3.61Å; L677-L695 HydrophobicContact CB-CD2 4.16Å; L677-L695 HydrophobicContact CB-CG 4.49Å; L677-L695 HydrophobicContact CD2-CD2 4.5Å; C692-L695 HydrophobicContact CB-CB 4.09Å; C692-L695 HydrophobicContact CB-CD1 4.38Å; C692-L695 VanDerWaalsContact O-CB 3.3Å; C692-L695 WeakPolarHBondContact O-CB 3.35Å; C692-L695 PolarHBondContact O-N 3.07Å; C692-L695 VanDerWaalsContact O-N 3.09Å; L695-L698 HydrophobicContact CD2-CB 3.85Å; L695-L698 HydrophobicContact CD2-CD1 4.09Å; L695-L698 HydrophobicContact CD2-CD2 4.28Å; L695-L698 HydrophobicContact CD2-CG 4.3Å; L695-M714 HydrophobicContact CD2-CE 4.38Å; L695-M714 HydrophobicContact CD2-SD 4.28Å; L695-Q716 CarbonylContact O-C 3.56Å; L695-L717 HydrophobicContact CD2-CD1 4.07Å; L695-L717 HydrophobicContact CG-CD1 4.3Å; L695-L717 VanDerWaalsContact O-CA 3.29Å; L695-L717 WeakPolarHBondContact O-CA 3.38Å; L695-L717 PolarHBondContact O-N 3.36Å | ||
| 696 | I | 92.3 | Very high | 82.1 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | trans | -99.5 | -41.4 | -180 | -61 | 176.1 | 0 | 0 | 0 | 110.1 | S675 H694 I718 E719 | S675-I696 WeakPolarHBondContact O-CA 3.17Å; S675-I696 WeakPolarHBondContact O-CB 3.13Å; S675-I696 PolarHBondContact O-N 2.75Å; H694-I696 PolarHBondContact O-N 2.83Å; I696-I718 HydrophobicContact CG2-CB 4.01Å; I696-I718 HydrophobicContact CG2-CD1 3.9Å; I696-I718 HydrophobicContact CG2-CG1 4.02Å; I696-I718 PolarHBondContact O-N 2.92Å; I696-E719 PolarHBondContact O-N 3.29Å | ||
| 697 | T | 92.5 | Very high | 82.4 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.6 | -176.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | S675 I676 L677 I699 E719 | S675-T697 PolarHBondContact O-N 3Å; I676-T697 WeakPolarHBondContact CA-O 3.27Å; I676-T697 HydrophobicContact CG2-CG2 4.3Å; L677-T697 PolarHBondContact N-O 3.45Å; T697-I699 HydrophobicContact CG2-CD1 4.33Å; T697-I699 HydrophobicContact CG2-CG1 4.1Å; T697-E719 CarbonylContact C-O 3.58Å; T697-E719 WeakPolarHBondContact CA-O 3.43Å; T697-E719 HydrophobicContact CG2-CB 4.07Å; T697-E719 HydrophobicContact CG2-CG 4.04Å |
| 698 | L | 91.4 | Very high | 83 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.7 | 176.3 | -178.5 | 54.8 | 0 | 0 | 0 | 110.6 | L677 I690 L695 I700 I711 M714 L717 E719 L720 Q721 | L677-L698 HydrophobicContact CB-CD1 4.04Å; L677-L698 HydrophobicContact CD2-CD1 3.94Å; L677-L698 HydrophobicContact CG-CD1 3.92Å; L677-L698 CarbonylContact O-C 3.31Å; L677-L698 WeakPolarHBondContact O-CA 3.41Å; I690-L698 HydrophobicContact CD1-CD1 4.48Å; L695-L698 HydrophobicContact CD2-CB 3.85Å; L695-L698 HydrophobicContact CD2-CD1 4.09Å; L695-L698 HydrophobicContact CD2-CD2 4.28Å; L695-L698 HydrophobicContact CD2-CG 4.3Å; L698-I700 HydrophobicContact CD1-CD1 3.83Å; L698-I700 HydrophobicContact CD1-CG1 3.75Å; L698-I700 HydrophobicContact CD2-CD1 3.74Å; L698-I700 HydrophobicContact CD2-CG1 4.46Å; L698-I700 HydrophobicContact CG-CD1 3.67Å; L698-I700 HydrophobicContact CG-CG1 3.85Å; L698-I711 HydrophobicContact CD2-CD1 4.19Å; L698-I711 HydrophobicContact CD2-CG1 4.24Å; L698-M714 HydrophobicContact CD2-CE 3.85Å; L698-M714 HydrophobicContact CD2-SD 3.82Å; L698-L717 HydrophobicContact CB-CD1 3.72Å; L698-L717 HydrophobicContact CB-CD2 4.48Å; L698-E719 PolarHBondContact N-O 2.8Å; L698-L720 HydrophobicContact CB-CD1 3.93Å; L698-L720 HydrophobicContact CD2-CD1 3.91Å; L698-L720 HydrophobicContact CG-CD1 3.92Å; L698-L720 CarbonylContact O-C 3.58Å; L698-L720 WeakPolarHBondContact O-CA 3.14Å; L698-Q721 PolarHBondContact O-N 3.23Å |
| 699 | I | 90.5 | Very high | 83.8 | Confident | 30 Ų | 30 | 45 Ų | 45 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 118.7 | 179.6 | -56 | 174.1 | 0 | 0 | 0 | 108.3 | L677 S678 I679 T680 T697 N701 Q721 | L677-I699 PolarHBondContact O-N 3.26Å; S678-I699 CarbonylContact C-O 3.28Å; S678-I699 VanDerWaalsContact CA-O 3.3Å; S678-I699 WeakPolarHBondContact CA-O 3.48Å; I679-I699 PolarHBondContact N-O 2.82Å; T680-I699 HydrophobicContact CG2-CG2 4.1Å; T697-I699 HydrophobicContact CG2-CD1 4.33Å; T697-I699 HydrophobicContact CG2-CG1 4.1Å; I699-N701 HydrophobicContact CG2-CB 4.5Å; I699-Q721 HydrophobicContact CB-CB 4.41Å; I699-Q721 HydrophobicContact CG1-CB 4.25Å; I699-Q721 HydrophobicContact CG1-CG 4.28Å; I699-Q721 HydrophobicContact CG2-CB 4.18Å |
| 700 | I | 90 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -131.2 | 37.2 | -177.9 | -46.1 | 166.1 | 0 | 0 | 0 | 110.7 | I679 I687 L698 N703 L705 Q721 N725 | I679-I700 WeakPolarHBondContact O-CA 3.28Å; I687-I700 HydrophobicContact CD1-CD1 3.93Å; I687-I700 HydrophobicContact CG1-CD1 4.05Å; I687-I700 HydrophobicContact CG2-CD1 4.16Å; L698-I700 HydrophobicContact CD1-CD1 3.83Å; L698-I700 HydrophobicContact CD1-CG1 3.75Å; L698-I700 HydrophobicContact CD2-CD1 3.74Å; L698-I700 HydrophobicContact CD2-CG1 4.46Å; L698-I700 HydrophobicContact CG-CD1 3.67Å; L698-I700 HydrophobicContact CG-CG1 3.85Å; I700-N703 HydrophobicContact CG2-CB 4.37Å; I700-N703 VanDerWaalsContact CG2-ND2 3.29Å; I700-N703 WeakPolarHBondContact CG2-ND2 3.47Å; I700-N703 PolarHBondContact O-ND2 3.03Å; I700-N703 VanDerWaalsContact O-ND2 3.1Å; I700-L705 HydrophobicContact CB-CD1 4.35Å; I700-L705 HydrophobicContact CG2-CD1 3.76Å; I700-Q721 PolarHBondContact N-O 2.8Å; I700-N725 PolarHBondContact O-ND2 3.36Å | ||
| 701 | N | 91 | Very high | 85.1 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | trans | -66.8 | 153.6 | -177.3 | -61.6 | -12.1 | 0 | 0 | 0 | 112.4 | T680 I699 N703 Q721 I722 D723 | T680-N701 VanDerWaalsContact CA-O 3.29Å; T680-N701 WeakPolarHBondContact CA-O 3.37Å; T680-N701 WeakPolarHBondContact CB-O 3.49Å; T680-N701 HydrophobicContact CG2-CB 4.1Å; I699-N701 HydrophobicContact CG2-CB 4.5Å; N701-N703 PolarHBondContact O-N 3.44Å; N701-N703 PolarHBondContact O-ND2 2.91Å; N701-N703 VanDerWaalsContact O-ND2 3.14Å; N701-Q721 PolarHBondContact OD1-O 3.43Å; N701-I722 PolarHBondContact OD1-N 2.85Å; N701-D723 CarbonylContact C-O 3.56Å; N701-D723 WeakPolarHBondContact CA-O 3.44Å; N701-D723 HydrophobicContact CB-CB 4.39Å; N701-D723 PolarHBondContact OD1-N 3.27Å | ||
| 702 | H | 88.3 | Confident | 85.8 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 57 | 44.1 | 175.7 | -63.6 | -79.3 | 0 | 0 | 0 | 114.7 | Q284 D287 H681 D723 Y724 | Q284-H702 HydrophobicContact CG-CB 4.48Å; D287-H702 IonicContact OD2-CD2 2.63Å; D287-H702 PolarHBondContact OD2-CD2 2.9Å; D287-H702 IonicContact OD2-NE2 2.65Å; H681-H702 WeakPolarHBondContact CA-O 3.25Å; H681-H702 WeakPolarHBondContact CE1-CB 3.48Å; H681-H702 AromaticContact CE1-CD2 3.6Å; H681-H702 AromaticContact CE1-CG 3.33Å; H681-H702 AromaticContact CE1-ND1 3.94Å; H681-H702 PolarHBondContact N-O 2.78Å; H681-H702 WeakPolarHBondContact ND1-CB 3.41Å; H681-H702 AromaticContact ND1-CG 3.97Å; H681-H702 AromaticContact NE2-CD2 3.69Å; H681-H702 AromaticContact NE2-CG 3.83Å; H702-D723 PolarHBondContact N-O 2.77Å; H702-Y724 WeakPolarHBondContact CA-O 3.46Å; H702-Y724 AromaticContact CE1-CD1 3.72Å; H702-Y724 AromaticContact CE1-CD2 3.32Å; H702-Y724 WeakPolarHBondContact CE1-CD2 3.47Å; H702-Y724 AromaticContact CE1-CE2 3.82Å; H702-Y724 AromaticContact CE1-CG 3.26Å; H702-Y724 WeakPolarHBondContact ND1-CB 3.46Å; H702-Y724 AromaticContact ND1-CD2 4Å; H702-Y724 AromaticContact ND1-CG 3.59Å; H702-Y724 AromaticContact NE2-CD2 3.42Å; H702-Y724 WeakPolarHBondContact NE2-CD2 3.2Å; H702-Y724 AromaticContact NE2-CE2 3.85Å; H702-Y724 AromaticContact NE2-CG 3.83Å |
| 703 | N | 88.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -113.5 | -163.2 | 171.2 | -73.3 | -75 | 0 | 0 | 0 | 110.6 | I679 C682 Q683 L684 I700 N701 L705 N725 | I679-N703 PolarHBondContact O-ND2 3.38Å; C682-N703 PolarHBondContact N-OD1 2.9Å; C682-N703 VanDerWaalsContact N-OD1 3.14Å; Q683-N703 PolarHBondContact N-OD1 3.46Å; L684-N703 HydrophobicContact CB-CB 4.13Å; L684-N703 PolarHBondContact N-OD1 3.04Å; L684-N703 VanDerWaalsContact N-OD1 3.14Å; I700-N703 HydrophobicContact CG2-CB 4.37Å; I700-N703 VanDerWaalsContact CG2-ND2 3.29Å; I700-N703 WeakPolarHBondContact CG2-ND2 3.47Å; I700-N703 PolarHBondContact O-ND2 3.03Å; I700-N703 VanDerWaalsContact O-ND2 3.1Å; N701-N703 PolarHBondContact O-N 3.44Å; N701-N703 PolarHBondContact O-ND2 2.91Å; N701-N703 VanDerWaalsContact O-ND2 3.14Å; N703-L705 HydrophobicContact CB-CG 4.44Å; N703-N725 WeakPolarHBondContact CA-OD1 3.43Å; N703-N725 VanDerWaalsContact CB-OD1 3.22Å; N703-N725 WeakPolarHBondContact CB-OD1 3.38Å; N703-N725 PolarHBondContact O-OD1 3.21Å |
| 704 | Q | 88 | Confident | 87.2 | Confident | 80 Ų | 80 | 41.7 Ų | 41.7 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | trans | -119.2 | 24.9 | -176.6 | -59.4 | -61 | -40 | 0 | 0 | 111.8 | L684 K706 N725 | L684-Q704 CarbonylContact O-C 3.08Å; L684-Q704 VanDerWaalsContact O-CA 3.23Å; L684-Q704 WeakPolarHBondContact O-CA 3.27Å; L684-Q704 WeakPolarHBondContact O-CB 3.17Å; L684-Q704 PolarHBondContact O-N 3.11Å; Q704-K706 PolarHBondContact O-N 3.36Å; Q704-N725 PolarHBondContact N-OD1 3.02Å | ||
| 705 | L | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -63.6 | 121.4 | -175.9 | -62.3 | 177.4 | 0 | 0 | 0 | 110.5 | L684 T686 I687 I700 N703 I722 N725 Q726 L727 | L684-L705 PolarHBondContact O-N 3.35Å; T686-L705 VanDerWaalsContact C-CD2 3.41Å; I687-L705 HydrophobicContact CD1-CD1 4.1Å; I687-L705 HydrophobicContact CG1-CD1 3.73Å; I687-L705 HydrophobicContact CG1-CD2 3.8Å; I687-L705 HydrophobicContact CG1-CG 4.45Å; I700-L705 HydrophobicContact CB-CD1 4.35Å; I700-L705 HydrophobicContact CG2-CD1 3.76Å; N703-L705 HydrophobicContact CB-CG 4.44Å; L705-I722 HydrophobicContact CD1-CG2 3.88Å; L705-N725 HydrophobicContact CB-CB 4.24Å; L705-N725 VanDerWaalsContact CB-OD1 3.27Å; L705-N725 WeakPolarHBondContact CB-OD1 3.28Å; L705-N725 VanDerWaalsContact CG-OD1 3.3Å; L705-N725 WeakPolarHBondContact CG-OD1 3.32Å; L705-N725 PolarHBondContact N-OD1 2.84Å; L705-Q726 CarbonylContact O-C 3.55Å; L705-Q726 WeakPolarHBondContact O-CA 3.11Å; L705-Q726 WeakPolarHBondContact O-CB 3.44Å; L705-Q726 PolarHBondContact O-N 2.83Å; L705-L727 HydrophobicContact CB-CD2 4.39Å; L705-L727 PolarHBondContact O-N 2.86Å | ||
| 706 | K | 89.2 | Confident | 87.6 | Confident | 122 Ų | 122 | 41.5 Ų | 41.5 | 53% | 0.53 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -90.4 | -21 | 175.3 | -65.8 | 177.8 | -178.6 | 174.6 | 0 | 113.1 | Q704 Q726 | Q704-K706 PolarHBondContact O-N 3.36Å; K706-Q726 WeakPolarHBondContact CA-O 3.28Å; K706-Q726 HydrophobicContact CG-CB 4.06Å |
| 707 | S | 86.8 | Confident | 87.6 | Confident | 44 Ų | 44 | 38.1 Ų | 38.1 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | trans | -154.3 | 148 | -179.4 | 177.3 | 0 | 0 | 0 | 0 | 109.6 | K709 N733 | S707-K709 VanDerWaalsContact C-N 3.33Å; S707-K709 WeakPolarHBondContact OG-CB 3.43Å; S707-K709 PolarHBondContact OG-N 2.89Å; S707-K709 VanDerWaalsContact OG-N 3.14Å; S707-N733 WeakPolarHBondContact CA-OD1 3.19Å | ||
| 708 | I | 88.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -89 | 3.9 | 172.6 | 72.9 | 170.2 | 0 | 0 | 0 | 113.4 | S710 I711 I722 L727 N733 N736 L737 | I708-S710 PolarHBondContact O-N 3.09Å; I708-I711 VanDerWaalsContact O-CB 3.28Å; I708-I711 WeakPolarHBondContact O-CB 3.35Å; I708-I711 VanDerWaalsContact O-CG2 3.27Å; I708-I711 WeakPolarHBondContact O-CG2 3.47Å; I708-I711 PolarHBondContact O-N 3.49Å; I708-I722 HydrophobicContact CG2-CD1 3.63Å; I708-L727 HydrophobicContact CG2-CD1 4.03Å; I708-L727 HydrophobicContact CG2-CD2 3.89Å; I708-N733 HydrophobicContact CD1-CB 4.13Å; I708-N733 WeakPolarHBondContact CD1-O 3.39Å; I708-N733 HydrophobicContact CG1-CB 4.07Å; I708-N733 WeakPolarHBondContact CG1-OD1 3.38Å; I708-N733 PolarHBondContact N-OD1 3.11Å; I708-N736 HydrophobicContact CD1-CB 3.96Å; I708-N736 HydrophobicContact CG1-CB 3.73Å; I708-L737 HydrophobicContact CD1-CB 4.38Å; I708-L737 HydrophobicContact CD1-CD1 4.25Å; I708-L737 HydrophobicContact CD1-CD2 3.3Å; I708-L737 HydrophobicContact CD1-CG 3.32Å |
| 709 | K | 84.7 | Confident | 88 | Confident | 155 Ų | 155 | 41.5 Ų | 41.5 | 67% | 0.674 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -54 | -27.3 | -176.4 | -172.9 | 174.8 | -177.7 | 179.7 | 0 | 113 | S707 I711 | S707-K709 VanDerWaalsContact C-N 3.33Å; S707-K709 WeakPolarHBondContact OG-CB 3.43Å; S707-K709 PolarHBondContact OG-N 2.89Å; S707-K709 VanDerWaalsContact OG-N 3.14Å; K709-I711 VanDerWaalsContact C-N 3.31Å; K709-I711 PolarHBondContact O-N 3.22Å |
| 710 | S | 78.8 | Confident | 88.2 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -77.3 | -4.9 | 176.9 | 53 | 0 | 0 | 0 | 0 | 115.2 | I687 I708 G712 | I687-S710 WeakPolarHBondContact CB-OG 3.47Å; I687-S710 PolarHBondContact N-OG 3.42Å; I708-S710 PolarHBondContact O-N 3.09Å; S710-G712 PolarHBondContact O-N 2.78Å |
| 711 | I | 82.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -59.8 | -30.2 | -174.9 | -160.6 | 165 | 0 | 0 | 0 | 112.7 | I687 L698 I708 K709 M714 L720 N740 T741 | I687-I711 HydrophobicContact CD1-CB 3.71Å; I687-I711 HydrophobicContact CD1-CD1 4.32Å; I687-I711 HydrophobicContact CD1-CG1 3.91Å; L698-I711 HydrophobicContact CD2-CD1 4.19Å; L698-I711 HydrophobicContact CD2-CG1 4.24Å; I708-I711 VanDerWaalsContact O-CB 3.28Å; I708-I711 WeakPolarHBondContact O-CB 3.35Å; I708-I711 VanDerWaalsContact O-CG2 3.27Å; I708-I711 WeakPolarHBondContact O-CG2 3.47Å; I708-I711 PolarHBondContact O-N 3.49Å; K709-I711 VanDerWaalsContact C-N 3.31Å; K709-I711 PolarHBondContact O-N 3.22Å; I711-M714 HydrophobicContact CG1-CE 4.16Å; I711-M714 HydrophobicContact CG1-SD 3.97Å; I711-M714 VanDerWaalsContact O-CE 3.28Å; I711-M714 WeakPolarHBondContact O-CE 3.22Å; I711-L720 HydrophobicContact CD1-CD1 3.97Å; I711-L720 HydrophobicContact CD1-CD2 3.68Å; I711-L720 HydrophobicContact CD1-CG 4.5Å; I711-N740 HydrophobicContact CG2-CB 3.93Å; I711-T741 HydrophobicContact CD1-CG2 4.44Å |
| 712 | G | 79.4 | Confident | 88.6 | Confident | 34 Ų | 34 | 40.9 Ų | 40.9 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | trans | 72.8 | 166.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S710 M714 N740 | S710-G712 PolarHBondContact O-N 2.78Å; G712-M714 PolarHBondContact O-N 3.26Å; G712-N740 WeakPolarHBondContact O-CB 3.2Å | ||
| 713 | Y | 84.7 | Confident | 88.8 | Confident | 143 Ų | 143 | 40.9 Ų | 40.9 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | trans | -71.1 | 115.2 | -178.8 | -176.4 | -108.2 | 0 | 0 | 0 | 111 | P715 P742 | Y713-P715 HydrophobicContact CD1-CG 4.29Å; Y713-P715 HydrophobicContact CE1-CB 3.74Å; Y713-P715 HydrophobicContact CE1-CG 3.86Å; Y713-P742 HydrophobicContact CE2-CG 4.42Å | ||
| 714 | M | 86.8 | Confident | 88.9 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | trans | -123.8 | 86.3 | -178.3 | -66.8 | -177.3 | 172.8 | 0 | 0 | 110.2 | I690 L695 L698 I711 G712 Q716 L717 N740 T741 | I690-M714 HydrophobicContact CB-CE 3.91Å; I690-M714 HydrophobicContact CD1-CE 4.11Å; I690-M714 HydrophobicContact CG2-CE 4.05Å; L695-M714 HydrophobicContact CD2-CE 4.38Å; L695-M714 HydrophobicContact CD2-SD 4.28Å; L698-M714 HydrophobicContact CD2-CE 3.85Å; L698-M714 HydrophobicContact CD2-SD 3.82Å; I711-M714 HydrophobicContact CG1-CE 4.16Å; I711-M714 HydrophobicContact CG1-SD 3.97Å; I711-M714 VanDerWaalsContact O-CE 3.28Å; I711-M714 WeakPolarHBondContact O-CE 3.22Å; G712-M714 PolarHBondContact O-N 3.26Å; M714-Q716 VanDerWaalsContact C-N 3.32Å; M714-Q716 PolarHBondContact O-N 3.43Å; M714-L717 HydrophobicContact CB-CB 3.96Å; M714-L717 PolarHBondContact O-N 3.16Å; M714-L717 HydrophobicContact SD-CD1 4.47Å; M714-L717 HydrophobicContact SD-CD2 4.09Å; M714-N740 CarbonylContact C-O 3.37Å; M714-N740 PolarHBondContact N-O 3.19Å; M714-T741 HydrophobicContact CB-CG2 4.45Å | ||
| 715 | P | 87.2 | Confident | 89 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.2 | -168.5 | 26 | -33.8 | 0 | 0 | 0 | 115 | Y713 K743 | Y713-P715 HydrophobicContact CD1-CG 4.29Å; Y713-P715 HydrophobicContact CE1-CB 3.74Å; Y713-P715 HydrophobicContact CE1-CG 3.86Å; P715-K743 VanDerWaalsContact O-CD 3.31Å; P715-K743 WeakPolarHBondContact O-CD 3.37Å; P715-K743 VanDerWaalsContact O-CG 3.31Å; P715-K743 WeakPolarHBondContact O-CG 3.27Å |
| 716 | Q | 90.6 | Very high | 89.1 | Confident | 79 Ų | 79 | 41.4 Ų | 41.4 | 37% | 0.369 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 0.8 | -178.4 | -56.2 | -61 | -22.4 | 0 | 0 | 113.7 | N693 L695 M714 I718 | N693-Q716 WeakPolarHBondContact O-CG 3.45Å; L695-Q716 CarbonylContact O-C 3.56Å; M714-Q716 VanDerWaalsContact C-N 3.32Å; M714-Q716 PolarHBondContact O-N 3.43Å; Q716-I718 PolarHBondContact O-N 3.02Å |
| 717 | L | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -68.1 | 120.4 | -175.6 | -167.2 | 74.7 | 0 | 0 | 0 | 110.7 | L695 L698 M714 L720 T741 K743 L744 | L695-L717 HydrophobicContact CD2-CD1 4.07Å; L695-L717 HydrophobicContact CG-CD1 4.3Å; L695-L717 VanDerWaalsContact O-CA 3.29Å; L695-L717 WeakPolarHBondContact O-CA 3.38Å; L695-L717 PolarHBondContact O-N 3.36Å; L698-L717 HydrophobicContact CB-CD1 3.72Å; L698-L717 HydrophobicContact CB-CD2 4.48Å; M714-L717 HydrophobicContact CB-CB 3.96Å; M714-L717 PolarHBondContact O-N 3.16Å; M714-L717 HydrophobicContact SD-CD1 4.47Å; M714-L717 HydrophobicContact SD-CD2 4.09Å; L717-L720 HydrophobicContact CD2-CB 4.09Å; L717-L720 HydrophobicContact CD2-CD1 4.31Å; L717-L720 HydrophobicContact CD2-CD2 4.3Å; L717-L720 HydrophobicContact CD2-CG 4.48Å; L717-T741 HydrophobicContact CB-CG2 4.48Å; L717-T741 HydrophobicContact CD2-CG2 3.7Å; L717-K743 CarbonylContact O-C 3.48Å; L717-L744 HydrophobicContact CD2-CD1 4.28Å; L717-L744 HydrophobicContact CG-CD1 4.42Å; L717-L744 WeakPolarHBondContact O-CA 3.41Å; L717-L744 PolarHBondContact O-N 3.14Å | ||
| 718 | I | 95.3 | Very high | 89 | Confident | 57 Ų | 57 | 35.7 Ų | 35.7 | 29% | 0.292 | 18% | 0.179 | S | C | . | . | trans | -101.5 | -38.8 | 178.8 | -60 | -175.7 | 0 | 0 | 0 | 110.3 | I696 Q716 E745 K746 | I696-I718 HydrophobicContact CG2-CB 4.01Å; I696-I718 HydrophobicContact CG2-CD1 3.9Å; I696-I718 HydrophobicContact CG2-CG1 4.02Å; I696-I718 PolarHBondContact O-N 2.92Å; Q716-I718 PolarHBondContact O-N 3.02Å; I718-E745 HydrophobicContact CG2-CB 3.93Å; I718-E745 HydrophobicContact CG2-CG 4.09Å; I718-E745 PolarHBondContact O-N 3.45Å; I718-K746 PolarHBondContact O-N 3.11Å | ||
| 719 | E | 96.6 | Very high | 88.8 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.7 | -174 | -177.9 | 165.7 | 175.4 | 0 | 0 | 112.4 | I696 T697 L698 Q721 K746 | I696-E719 PolarHBondContact O-N 3.29Å; T697-E719 CarbonylContact C-O 3.58Å; T697-E719 WeakPolarHBondContact CA-O 3.43Å; T697-E719 HydrophobicContact CG2-CB 4.07Å; T697-E719 HydrophobicContact CG2-CG 4.04Å; L698-E719 PolarHBondContact N-O 2.8Å; E719-Q721 HydrophobicContact CG-CG 4.5Å; E719-Q721 PolarHBondContact OE1-NE2 2.86Å; E719-K746 WeakPolarHBondContact CA-O 3.46Å; E719-K746 HydrophobicContact CB-CB 4.03Å; E719-K746 HydrophobicContact CB-CD 4.23Å; E719-K746 HydrophobicContact CG-CB 3.88Å; E719-K746 HydrophobicContact CG-CD 4.08Å; E719-K746 VanDerWaalsContact OE2-CD 3.3Å; E719-K746 WeakPolarHBondContact OE2-CD 3.24Å; E719-K746 IonicContact OE2-NZ 3.93Å; E719-K746 PolarHBondContact OE2-NZ 2.94Å |
| 720 | L | 94.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.9 | 179.2 | -178.6 | 56.3 | 0 | 0 | 0 | 110.5 | L698 I711 L717 I722 L737 L744 K746 L747 S748 | L698-L720 HydrophobicContact CB-CD1 3.93Å; L698-L720 HydrophobicContact CD2-CD1 3.91Å; L698-L720 HydrophobicContact CG-CD1 3.92Å; L698-L720 CarbonylContact O-C 3.58Å; L698-L720 WeakPolarHBondContact O-CA 3.14Å; I711-L720 HydrophobicContact CD1-CD1 3.97Å; I711-L720 HydrophobicContact CD1-CD2 3.68Å; I711-L720 HydrophobicContact CD1-CG 4.5Å; L717-L720 HydrophobicContact CD2-CB 4.09Å; L717-L720 HydrophobicContact CD2-CD1 4.31Å; L717-L720 HydrophobicContact CD2-CD2 4.3Å; L717-L720 HydrophobicContact CD2-CG 4.48Å; L720-I722 HydrophobicContact CD1-CD1 3.87Å; L720-I722 HydrophobicContact CD1-CG1 3.79Å; L720-I722 HydrophobicContact CD2-CD1 3.86Å; L720-I722 HydrophobicContact CD2-CG1 4.47Å; L720-I722 HydrophobicContact CG-CD1 3.78Å; L720-I722 HydrophobicContact CG-CG1 3.83Å; L720-L737 HydrophobicContact CD2-CD2 3.48Å; L720-L737 VanDerWaalsContact CD2-CD2 3.48Å; L720-L744 HydrophobicContact CB-CD1 3.67Å; L720-K746 PolarHBondContact N-O 3.03Å; L720-L747 HydrophobicContact CB-CD1 4.14Å; L720-L747 HydrophobicContact CD2-CD1 4.11Å; L720-L747 HydrophobicContact CG-CD1 4.12Å; L720-L747 CarbonylContact O-C 3.43Å; L720-L747 WeakPolarHBondContact O-CA 3.46Å; L720-S748 PolarHBondContact O-N 2.73Å |
| 721 | Q | 95 | Very high | 88.8 | Confident | 26 Ų | 26 | 32.2 Ų | 32.2 | 12% | 0.121 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.4 | 176 | -56.2 | -178.7 | 9.6 | 0 | 0 | 109.7 | L698 I699 I700 N701 E719 S748 F776 | L698-Q721 PolarHBondContact O-N 3.23Å; I699-Q721 HydrophobicContact CB-CB 4.41Å; I699-Q721 HydrophobicContact CG1-CB 4.25Å; I699-Q721 HydrophobicContact CG1-CG 4.28Å; I699-Q721 HydrophobicContact CG2-CB 4.18Å; I700-Q721 PolarHBondContact N-O 2.8Å; N701-Q721 PolarHBondContact OD1-O 3.43Å; E719-Q721 HydrophobicContact CG-CG 4.5Å; E719-Q721 PolarHBondContact OE1-NE2 2.86Å; Q721-S748 CarbonylContact C-O 3.41Å; Q721-S748 WeakPolarHBondContact CA-O 3.31Å; Q721-F776 HydrophobicContact CG-CE1 4.47Å; Q721-F776 HydrophobicContact CG-CZ 4.29Å |
| 722 | I | 93.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | trans | -139.2 | 40.6 | -176.4 | -40.4 | 178.1 | 0 | 0 | 0 | 109.6 | N701 L705 I708 L720 N725 L727 S748 W749 N752 | N701-I722 PolarHBondContact OD1-N 2.85Å; L705-I722 HydrophobicContact CD1-CG2 3.88Å; I708-I722 HydrophobicContact CG2-CD1 3.63Å; L720-I722 HydrophobicContact CD1-CD1 3.87Å; L720-I722 HydrophobicContact CD1-CG1 3.79Å; L720-I722 HydrophobicContact CD2-CD1 3.86Å; L720-I722 HydrophobicContact CD2-CG1 4.47Å; L720-I722 HydrophobicContact CG-CD1 3.78Å; L720-I722 HydrophobicContact CG-CG1 3.83Å; I722-N725 HydrophobicContact CG2-CB 4.1Å; I722-N725 WeakPolarHBondContact CG2-ND2 3.47Å; I722-N725 PolarHBondContact O-ND2 2.81Å; I722-L727 HydrophobicContact CB-CD1 4.49Å; I722-L727 HydrophobicContact CG2-CD1 4.06Å; I722-S748 PolarHBondContact N-O 3.1Å; I722-W749 HydrophobicContact CB-CB 4.32Å; I722-N752 PolarHBondContact O-ND2 3.42Å | ||
| 723 | D | 92.4 | Very high | 89.2 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | trans | -68.9 | 152.9 | -179.9 | -56.3 | -47.2 | 0 | 0 | 0 | 110.8 | N701 H702 N725 S748 W749 N750 | N701-D723 CarbonylContact C-O 3.56Å; N701-D723 WeakPolarHBondContact CA-O 3.44Å; N701-D723 HydrophobicContact CB-CB 4.39Å; N701-D723 PolarHBondContact OD1-N 3.27Å; H702-D723 PolarHBondContact N-O 2.77Å; D723-N725 PolarHBondContact O-N 2.81Å; D723-N725 PolarHBondContact O-ND2 2.97Å; D723-S748 VanDerWaalsContact CG-OG 3.28Å; D723-S748 VanDerWaalsContact OD1-C 3.29Å; D723-S748 PolarHBondContact OD1-OG 3.49Å; D723-S748 PolarHBondContact OD2-OG 3.12Å; D723-S748 VanDerWaalsContact OD2-OG 3.08Å; D723-W749 VanDerWaalsContact OD1-CA 3.23Å; D723-W749 WeakPolarHBondContact OD1-CA 3.21Å; D723-W749 PolarHBondContact OD1-N 3.26Å; D723-N750 CarbonylContact C-O 3.58Å; D723-N750 VanDerWaalsContact CA-O 3.28Å; D723-N750 WeakPolarHBondContact CA-O 3.4Å; D723-N750 WeakPolarHBondContact OD1-CB 3.47Å; D723-N750 PolarHBondContact OD1-N 3.48Å | ||
| 724 | Y | 90 | Very high | 89.4 | Confident | 26 Ų | 26 | 28.2 Ų | 28.2 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 55.3 | 47.1 | 175 | -60.9 | -86.7 | 0 | 0 | 0 | 114 | F280 I283 E332 H702 N750 N751 | F280-Y724 HydrophobicContact CD1-CE1 4.14Å; F280-Y724 HydrophobicContact CD2-CD1 4.31Å; F280-Y724 HydrophobicContact CD2-CE1 4.46Å; F280-Y724 HydrophobicContact CE1-CE1 4.12Å; F280-Y724 HydrophobicContact CE2-CD1 4.38Å; F280-Y724 HydrophobicContact CE2-CE1 4.43Å; F280-Y724 HydrophobicContact CG-CD1 4.48Å; F280-Y724 HydrophobicContact CG-CE1 4.31Å; F280-Y724 HydrophobicContact CZ-CE1 4.27Å; I283-Y724 HydrophobicContact CG2-CE1 4.33Å; E332-Y724 PolarHBondContact OE1-OH 2.82Å; H702-Y724 WeakPolarHBondContact CA-O 3.46Å; H702-Y724 AromaticContact CE1-CD1 3.72Å; H702-Y724 AromaticContact CE1-CD2 3.32Å; H702-Y724 WeakPolarHBondContact CE1-CD2 3.47Å; H702-Y724 AromaticContact CE1-CE2 3.82Å; H702-Y724 AromaticContact CE1-CG 3.26Å; H702-Y724 WeakPolarHBondContact ND1-CB 3.46Å; H702-Y724 AromaticContact ND1-CD2 4Å; H702-Y724 AromaticContact ND1-CG 3.59Å; H702-Y724 AromaticContact NE2-CD2 3.42Å; H702-Y724 WeakPolarHBondContact NE2-CD2 3.2Å; H702-Y724 AromaticContact NE2-CE2 3.85Å; H702-Y724 AromaticContact NE2-CG 3.83Å; Y724-N750 PolarHBondContact N-O 3.37Å; Y724-N751 HydrophobicContact CD1-CB 3.54Å; Y724-N751 HydrophobicContact CD2-CB 4.36Å; Y724-N751 HydrophobicContact CE1-CB 3.6Å; Y724-N751 WeakPolarHBondContact CE1-ND2 3.42Å; Y724-N751 HydrophobicContact CE2-CB 4.42Å; Y724-N751 WeakPolarHBondContact CE2-ND2 3.14Å; Y724-N751 HydrophobicContact CG-CB 3.95Å; Y724-N751 PolarHBondContact OH-ND2 2.74Å; Y724-N751 VanDerWaalsContact OH-ND2 3.07Å |
| 725 | N | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -112.8 | -161.8 | 174.2 | -86.7 | -87.3 | 0 | 0 | 0 | 110.7 | I700 N703 Q704 L705 I722 D723 L727 N752 P753 | I700-N725 PolarHBondContact O-ND2 3.36Å; N703-N725 WeakPolarHBondContact CA-OD1 3.43Å; N703-N725 VanDerWaalsContact CB-OD1 3.22Å; N703-N725 WeakPolarHBondContact CB-OD1 3.38Å; N703-N725 PolarHBondContact O-OD1 3.21Å; Q704-N725 PolarHBondContact N-OD1 3.02Å; L705-N725 HydrophobicContact CB-CB 4.24Å; L705-N725 VanDerWaalsContact CB-OD1 3.27Å; L705-N725 WeakPolarHBondContact CB-OD1 3.28Å; L705-N725 VanDerWaalsContact CG-OD1 3.3Å; L705-N725 WeakPolarHBondContact CG-OD1 3.32Å; L705-N725 PolarHBondContact N-OD1 2.84Å; I722-N725 HydrophobicContact CG2-CB 4.1Å; I722-N725 WeakPolarHBondContact CG2-ND2 3.47Å; I722-N725 PolarHBondContact O-ND2 2.81Å; D723-N725 PolarHBondContact O-N 2.81Å; D723-N725 PolarHBondContact O-ND2 2.97Å; N725-L727 HydrophobicContact CB-CG 4.45Å; N725-N752 WeakPolarHBondContact CA-OD1 3.41Å; N725-N752 WeakPolarHBondContact CB-OD1 3.49Å; N725-N752 PolarHBondContact N-OD1 3.32Å; N725-N752 PolarHBondContact O-OD1 2.9Å; N725-P753 WeakPolarHBondContact O-CD 3.23Å |
| 726 | Q | 90.5 | Very high | 89.4 | Confident | 64 Ų | 64 | 30.3 Ų | 30.3 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | trans | -117.7 | 29.5 | -177.7 | -58.6 | -58.7 | -44 | 0 | 0 | 112.5 | L705 K706 N752 | L705-Q726 CarbonylContact O-C 3.55Å; L705-Q726 WeakPolarHBondContact O-CA 3.11Å; L705-Q726 WeakPolarHBondContact O-CB 3.44Å; L705-Q726 PolarHBondContact O-N 2.83Å; K706-Q726 WeakPolarHBondContact CA-O 3.28Å; K706-Q726 HydrophobicContact CG-CB 4.06Å; Q726-N752 PolarHBondContact N-OD1 3.08Å | ||
| 727 | L | 90.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -68.9 | 131.7 | 179.2 | -54.5 | 176.4 | 0 | 0 | 0 | 110.7 | L705 I708 I722 N725 W749 N752 P753 W754 | L705-L727 HydrophobicContact CB-CD2 4.39Å; L705-L727 PolarHBondContact O-N 2.86Å; I708-L727 HydrophobicContact CG2-CD1 4.03Å; I708-L727 HydrophobicContact CG2-CD2 3.89Å; I722-L727 HydrophobicContact CB-CD1 4.49Å; I722-L727 HydrophobicContact CG2-CD1 4.06Å; N725-L727 HydrophobicContact CB-CG 4.45Å; L727-W749 HydrophobicContact CD1-CE3 4.14Å; L727-N752 HydrophobicContact CB-CB 4.02Å; L727-N752 WeakPolarHBondContact CB-OD1 3.3Å; L727-N752 VanDerWaalsContact CG-OD1 3.3Å; L727-N752 WeakPolarHBondContact CG-OD1 3.01Å; L727-N752 PolarHBondContact N-OD1 3.37Å; L727-P753 CarbonylContact O-C 3.2Å; L727-P753 VanDerWaalsContact O-CD 3.24Å; L727-P753 WeakPolarHBondContact O-CD 3.32Å; L727-P753 WeakPolarHBondContact O-CG 3.27Å; L727-W754 HydrophobicContact CB-CE3 4.26Å; L727-W754 HydrophobicContact CB-CH2 3.34Å; L727-W754 HydrophobicContact CB-CZ2 3.63Å; L727-W754 HydrophobicContact CB-CZ3 3.69Å; L727-W754 HydrophobicContact CD1-CH2 3.57Å; L727-W754 HydrophobicContact CD1-CZ2 3.67Å; L727-W754 HydrophobicContact CG-CH2 4.07Å; L727-W754 HydrophobicContact CG-CZ2 4.3Å; L727-W754 PolarHBondContact O-N 3.46Å | ||
| 728 | T | 84.3 | Confident | 89.3 | Confident | 46 Ų | 46 | 30.5 Ų | 30.5 | 28% | 0.282 | 16% | 0.163 | S | C | . | . | trans | -121.5 | -44.4 | -173.2 | 53 | 0 | 0 | 0 | 0 | 113.8 | P753 W754 K755 | T728-P753 WeakPolarHBondContact CA-O 3.43Å; T728-P753 HydrophobicContact CG2-CB 4.49Å; T728-P753 HydrophobicContact CG2-CG 3.97Å; T728-P753 WeakPolarHBondContact CG2-O 3.27Å; T728-W754 CarbonylContact O-C 3.51Å; T728-W754 WeakPolarHBondContact O-CA 3.33Å; T728-K755 WeakPolarHBondContact O-CB 3.39Å; T728-K755 PolarHBondContact O-N 3.03Å | ||
| 729 | C | 83.3 | Confident | 88.9 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 21% | 0.209 | 18% | 0.178 | C | C | . | . | trans | -98 | 112.4 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | D732 N733 | C729-D732 HydrophobicContact CB-CB 4.08Å; C729-N733 PolarHBondContact O-N 3.24Å; C729-N733 PolarHBondContact O-ND2 3.3Å | ||
| 730 | I | 84.4 | Confident | 88.6 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | 177 | -178.4 | 164 | 0 | 0 | 0 | 112.1 | D732 N733 V734 W749 W754 I760 Y763 T764 | I730-D732 VanDerWaalsContact C-N 3.33Å; I730-D732 PolarHBondContact O-N 3.23Å; I730-N733 PolarHBondContact O-N 2.94Å; I730-V734 HydrophobicContact CD1-CG2 4.15Å; I730-V734 HydrophobicContact CG1-CG2 3.61Å; I730-V734 WeakPolarHBondContact O-CB 3.37Å; I730-V734 WeakPolarHBondContact O-CG2 3.49Å; I730-V734 PolarHBondContact O-N 2.87Å; I730-W749 HydrophobicContact CD1-CZ2 4.33Å; I730-W749 HydrophobicContact CG1-CH2 4.24Å; I730-W749 HydrophobicContact CG1-CZ2 4.49Å; I730-W754 HydrophobicContact CB-CE3 4.25Å; I730-W754 HydrophobicContact CB-CZ3 4.39Å; I730-I760 HydrophobicContact CD1-CB 4Å; I730-I760 HydrophobicContact CD1-CG1 4.36Å; I730-I760 HydrophobicContact CD1-CG2 3.84Å; I730-I760 VanDerWaalsContact CD1-O 3.22Å; I730-I760 WeakPolarHBondContact CD1-O 3.42Å; I730-Y763 HydrophobicContact CD1-CD1 3.86Å; I730-Y763 HydrophobicContact CD1-CG 4.19Å; I730-Y763 HydrophobicContact CG1-CD1 3.8Å; I730-Y763 HydrophobicContact CG1-CE1 4.5Å; I730-Y763 HydrophobicContact CG1-CG 4.46Å; I730-T764 WeakPolarHBondContact CD1-OG1 3.4Å |
| 731 | I | 79.8 | Confident | 88.4 | Confident | 85 Ų | 85 | 33.2 Ų | 33.2 | 44% | 0.436 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.1 | -50 | -174.7 | -62.7 | 176.2 | 0 | 0 | 0 | 109.9 | N733 S735 Y763 | I731-N733 PolarHBondContact O-N 2.71Å; I731-S735 WeakPolarHBondContact O-CB 3.31Å; I731-S735 PolarHBondContact O-N 3Å; I731-S735 PolarHBondContact O-OG 3.19Å; I731-Y763 HydrophobicContact CG1-CE1 4.21Å; I731-Y763 HydrophobicContact CG1-CE2 4.08Å |
| 732 | D | 81.3 | Confident | 88.1 | Confident | 92 Ų | 92 | 35 Ų | 35 | 49% | 0.492 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.9 | -46 | 179.4 | -67.5 | -19.6 | 0 | 0 | 0 | 111.8 | C729 I730 S735 N736 | C729-D732 HydrophobicContact CB-CB 4.08Å; I730-D732 VanDerWaalsContact C-N 3.33Å; I730-D732 PolarHBondContact O-N 3.23Å; D732-S735 PolarHBondContact O-N 3.14Å; D732-N736 PolarHBondContact O-N 2.99Å; D732-N736 VanDerWaalsContact O-N 3.11Å; D732-N736 PolarHBondContact O-ND2 3.03Å |
| 733 | N | 88.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.7 | -43 | -176.4 | -69.8 | -69.9 | 0 | 0 | 0 | 111.6 | S707 I708 C729 I730 I731 S735 N736 L737 W749 W754 | S707-N733 WeakPolarHBondContact CA-OD1 3.19Å; I708-N733 HydrophobicContact CD1-CB 4.13Å; I708-N733 WeakPolarHBondContact CD1-O 3.39Å; I708-N733 HydrophobicContact CG1-CB 4.07Å; I708-N733 WeakPolarHBondContact CG1-OD1 3.38Å; I708-N733 PolarHBondContact N-OD1 3.11Å; C729-N733 PolarHBondContact O-N 3.24Å; C729-N733 PolarHBondContact O-ND2 3.3Å; I730-N733 PolarHBondContact O-N 2.94Å; I731-N733 PolarHBondContact O-N 2.71Å; N733-S735 VanDerWaalsContact C-N 3.32Å; N733-S735 PolarHBondContact O-N 2.85Å; N733-N736 PolarHBondContact O-N 2.8Å; N733-L737 PolarHBondContact O-N 3.4Å; N733-W749 HydrophobicContact CB-CZ3 3.9Å; N733-W754 HydrophobicContact CB-CH2 4.08Å; N733-W754 HydrophobicContact CB-CZ3 4.17Å |
| 734 | V | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 174.4 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | I730 N736 L737 L738 W749 Y763 T764 K767 I768 | I730-V734 HydrophobicContact CD1-CG2 4.15Å; I730-V734 HydrophobicContact CG1-CG2 3.61Å; I730-V734 WeakPolarHBondContact O-CB 3.37Å; I730-V734 WeakPolarHBondContact O-CG2 3.49Å; I730-V734 PolarHBondContact O-N 2.87Å; V734-N736 VanDerWaalsContact C-N 3.28Å; V734-N736 PolarHBondContact O-N 3.01Å; V734-L737 PolarHBondContact O-N 2.92Å; V734-L738 HydrophobicContact CG1-CD1 4.21Å; V734-L738 HydrophobicContact CG1-CG 4.43Å; V734-L738 WeakPolarHBondContact O-CG 3.48Å; V734-L738 PolarHBondContact O-N 2.95Å; V734-W749 HydrophobicContact CG2-CH2 3.74Å; V734-W749 HydrophobicContact CG2-CZ2 4.48Å; V734-Y763 HydrophobicContact CB-CD1 4.23Å; V734-Y763 HydrophobicContact CB-CE1 3.88Å; V734-Y763 HydrophobicContact CG1-CD1 4.26Å; V734-Y763 HydrophobicContact CG1-CE1 3.87Å; V734-Y763 HydrophobicContact CG2-CD1 3.98Å; V734-Y763 HydrophobicContact CG2-CE1 4.15Å; V734-T764 HydrophobicContact CG2-CG2 4.32Å; V734-K767 HydrophobicContact CG1-CB 3.55Å; V734-K767 HydrophobicContact CG1-CG 4.1Å; V734-I768 HydrophobicContact CG1-CD1 4.11Å; V734-I768 HydrophobicContact CG1-CG1 3.93Å |
| 735 | S | 85.7 | Confident | 88.4 | Confident | 47 Ų | 47 | 41.3 Ų | 41.3 | 33% | 0.329 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | I731 D732 N733 I739 | I731-S735 WeakPolarHBondContact O-CB 3.31Å; I731-S735 PolarHBondContact O-N 3Å; I731-S735 PolarHBondContact O-OG 3.19Å; D732-S735 PolarHBondContact O-N 3.14Å; N733-S735 VanDerWaalsContact C-N 3.32Å; N733-S735 PolarHBondContact O-N 2.85Å; S735-I739 WeakPolarHBondContact O-CG1 3.38Å; S735-I739 PolarHBondContact O-N 3.18Å |
| 736 | N | 88.4 | Confident | 88.7 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 175.1 | -76.2 | -66.3 | 0 | 0 | 0 | 112.3 | I708 D732 N733 V734 I739 N740 | I708-N736 HydrophobicContact CD1-CB 3.96Å; I708-N736 HydrophobicContact CG1-CB 3.73Å; D732-N736 PolarHBondContact O-N 2.99Å; D732-N736 VanDerWaalsContact O-N 3.11Å; D732-N736 PolarHBondContact O-ND2 3.03Å; N733-N736 PolarHBondContact O-N 2.8Å; V734-N736 VanDerWaalsContact C-N 3.28Å; V734-N736 PolarHBondContact O-N 3.01Å; N736-I739 PolarHBondContact O-N 3.21Å; N736-N740 WeakPolarHBondContact O-CB 3.46Å; N736-N740 PolarHBondContact O-N 3.35Å; N736-N740 PolarHBondContact O-ND2 3.39Å |
| 737 | L | 91.7 | Very high | 89 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 175.3 | -69.2 | 179.4 | 0 | 0 | 0 | 111.8 | I708 L720 N733 V734 I739 N740 T741 L744 L747 W749 I768 | I708-L737 HydrophobicContact CD1-CB 4.38Å; I708-L737 HydrophobicContact CD1-CD1 4.25Å; I708-L737 HydrophobicContact CD1-CD2 3.3Å; I708-L737 HydrophobicContact CD1-CG 3.32Å; L720-L737 HydrophobicContact CD2-CD2 3.48Å; L720-L737 VanDerWaalsContact CD2-CD2 3.48Å; N733-L737 PolarHBondContact O-N 3.4Å; V734-L737 PolarHBondContact O-N 2.92Å; L737-I739 PolarHBondContact O-N 3.05Å; L737-N740 PolarHBondContact O-N 2.82Å; L737-T741 HydrophobicContact CD2-CG2 4.5Å; L737-T741 PolarHBondContact O-N 3.31Å; L737-T741 PolarHBondContact O-OG1 3.05Å; L737-L744 HydrophobicContact CD1-CD2 4.26Å; L737-L744 HydrophobicContact CD2-CD2 4.28Å; L737-L747 HydrophobicContact CD1-CD1 4.12Å; L737-L747 HydrophobicContact CD1-CD2 3.6Å; L737-W749 HydrophobicContact CD1-CZ3 4.17Å; L737-I768 HydrophobicContact CB-CD1 3.7Å; L737-I768 HydrophobicContact CD1-CD1 3.67Å; L737-I768 HydrophobicContact CG-CD1 4.32Å |
| 738 | L | 89.4 | Confident | 89.2 | Confident | 82 Ų | 82 | 42.1 Ų | 42.1 | 43% | 0.429 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.3 | -39.3 | -179.6 | -78.1 | 170.9 | 0 | 0 | 0 | 113 | V734 K767 I768 | V734-L738 HydrophobicContact CG1-CD1 4.21Å; V734-L738 HydrophobicContact CG1-CG 4.43Å; V734-L738 WeakPolarHBondContact O-CG 3.48Å; V734-L738 PolarHBondContact O-N 2.95Å; L738-K767 HydrophobicContact CD1-CB 4.23Å; L738-K767 WeakPolarHBondContact CD2-O 3.39Å; L738-I768 HydrophobicContact CD2-CG1 3.96Å; L738-I768 HydrophobicContact CG-CG1 4.16Å |
| 739 | I | 87.3 | Confident | 89.7 | Confident | 118 Ų | 118 | 40 Ų | 40 | 61% | 0.605 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -80.2 | -42.2 | -178.4 | -63 | 168.2 | 0 | 0 | 0 | 110.7 | S735 N736 L737 | S735-I739 WeakPolarHBondContact O-CG1 3.38Å; S735-I739 PolarHBondContact O-N 3.18Å; N736-I739 PolarHBondContact O-N 3.21Å; L737-I739 PolarHBondContact O-N 3.05Å |
| 740 | N | 88.5 | Confident | 89.9 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -94.9 | -23.4 | -165.4 | -66.7 | -42.5 | 0 | 0 | 0 | 114.5 | I711 G712 M714 N736 L737 | I711-N740 HydrophobicContact CG2-CB 3.93Å; G712-N740 WeakPolarHBondContact O-CB 3.2Å; M714-N740 CarbonylContact C-O 3.37Å; M714-N740 PolarHBondContact N-O 3.19Å; N736-N740 WeakPolarHBondContact O-CB 3.46Å; N736-N740 PolarHBondContact O-N 3.35Å; N736-N740 PolarHBondContact O-ND2 3.39Å; L737-N740 PolarHBondContact O-N 2.82Å |
| 741 | T | 90.6 | Very high | 90 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | trans | -130.1 | 70.1 | -172.6 | 60 | 0 | 0 | 0 | 0 | 111.4 | I711 M714 L717 L737 K743 L744 | I711-T741 HydrophobicContact CD1-CG2 4.44Å; M714-T741 HydrophobicContact CB-CG2 4.45Å; L717-T741 HydrophobicContact CB-CG2 4.48Å; L717-T741 HydrophobicContact CD2-CG2 3.7Å; L737-T741 HydrophobicContact CD2-CG2 4.5Å; L737-T741 PolarHBondContact O-N 3.31Å; L737-T741 PolarHBondContact O-OG1 3.05Å; T741-K743 VanDerWaalsContact C-N 3.28Å; T741-K743 PolarHBondContact O-N 3.14Å; T741-L744 WeakPolarHBondContact O-CB 3.39Å; T741-L744 PolarHBondContact O-N 3.47Å | ||
| 742 | P | 89.5 | Confident | 90.4 | Very high | 65 Ų | 65 | 38.7 Ų | 38.7 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.6 | -170.5 | 27.3 | -35.9 | 0 | 0 | 0 | 114.8 | Y713 | Y713-P742 HydrophobicContact CE2-CG 4.42Š|
| 743 | K | 93.2 | Very high | 90.5 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 46% | 0.461 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 12.6 | 179.1 | -67.8 | -168.6 | -174.9 | -176.8 | 0 | 113.8 | P715 L717 T741 E745 | P715-K743 VanDerWaalsContact O-CD 3.31Å; P715-K743 WeakPolarHBondContact O-CD 3.37Å; P715-K743 VanDerWaalsContact O-CG 3.31Å; P715-K743 WeakPolarHBondContact O-CG 3.27Å; L717-K743 CarbonylContact O-C 3.48Å; T741-K743 VanDerWaalsContact C-N 3.28Å; T741-K743 PolarHBondContact O-N 3.14Å; K743-E745 WeakPolarHBondContact O-CG 3.42Å; K743-E745 PolarHBondContact O-N 3.29Å |
| 744 | L | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -64.9 | 121.1 | -174.9 | -168.9 | 70.4 | 0 | 0 | 0 | 110.9 | L717 L720 L737 T741 L747 S770 L771 | L717-L744 HydrophobicContact CD2-CD1 4.28Å; L717-L744 HydrophobicContact CG-CD1 4.42Å; L717-L744 WeakPolarHBondContact O-CA 3.41Å; L717-L744 PolarHBondContact O-N 3.14Å; L720-L744 HydrophobicContact CB-CD1 3.67Å; L737-L744 HydrophobicContact CD1-CD2 4.26Å; L737-L744 HydrophobicContact CD2-CD2 4.28Å; T741-L744 WeakPolarHBondContact O-CB 3.39Å; T741-L744 PolarHBondContact O-N 3.47Å; L744-L747 HydrophobicContact CD2-CB 4.26Å; L744-L747 HydrophobicContact CD2-CD1 4.37Å; L744-S770 CarbonylContact O-C 3.02Å; L744-S770 WeakPolarHBondContact O-CB 3.2Å; L744-S770 PolarHBondContact O-OG 3.37Å; L744-L771 HydrophobicContact CD2-CD2 4.12Å; L744-L771 HydrophobicContact CG-CD2 3.98Å | ||
| 745 | E | 95.5 | Very high | 89.1 | Confident | 63 Ų | 63 | 42 Ų | 42 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | trans | -115.3 | -22.8 | 178.7 | -57.1 | -168.1 | 156.8 | 0 | 0 | 112.6 | I718 K743 K772 F773 | I718-E745 HydrophobicContact CG2-CB 3.93Å; I718-E745 HydrophobicContact CG2-CG 4.09Å; I718-E745 PolarHBondContact O-N 3.45Å; K743-E745 WeakPolarHBondContact O-CG 3.42Å; K743-E745 PolarHBondContact O-N 3.29Å; E745-K772 HydrophobicContact CB-CD 4.34Å; E745-K772 HydrophobicContact CB-CG 4.33Å; E745-K772 VanDerWaalsContact CD-CE 3.47Å; E745-K772 PolarHBondContact O-N 2.99Å; E745-K772 WeakPolarHBondContact OE1-CE 3.34Å; E745-K772 IonicContact OE1-NZ 2.75Å; E745-K772 PolarHBondContact OE1-NZ 3.04Å; E745-K772 WeakPolarHBondContact OE2-CD 3.37Å; E745-K772 WeakPolarHBondContact OE2-CE 3.19Å; E745-K772 IonicContact OE2-NZ 3.15Å; E745-K772 PolarHBondContact OE2-NZ 3.19Å; E745-F773 PolarHBondContact O-N 3.05Å | ||
| 746 | K | 96.9 | Very high | 88.2 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.4 | 179.8 | -53.9 | -176.2 | -167.2 | 166.8 | 0 | 110.3 | I718 E719 L720 F773 | I718-K746 PolarHBondContact O-N 3.11Å; E719-K746 WeakPolarHBondContact CA-O 3.46Å; E719-K746 HydrophobicContact CB-CB 4.03Å; E719-K746 HydrophobicContact CB-CD 4.23Å; E719-K746 HydrophobicContact CG-CB 3.88Å; E719-K746 HydrophobicContact CG-CD 4.08Å; E719-K746 VanDerWaalsContact OE2-CD 3.3Å; E719-K746 WeakPolarHBondContact OE2-CD 3.24Å; E719-K746 IonicContact OE2-NZ 3.93Å; E719-K746 PolarHBondContact OE2-NZ 2.94Å; L720-K746 PolarHBondContact N-O 3.03Å; K746-F773 WeakPolarHBondContact CA-O 3.4Å; K746-F773 HydrophobicContact CB-CB 4.31Å; K746-F773 HydrophobicContact CD-CD2 4.38Å; K746-F773 HydrophobicContact CG-CB 4.08Å; K746-F773 HydrophobicContact CG-CD2 3.97Å; K746-F773 HydrophobicContact CG-CG 4.4Å |
| 747 | L | 96.4 | Very high | 87.3 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.3 | 178.4 | 177.1 | 63.4 | 0 | 0 | 0 | 110.3 | L720 L737 L744 W749 T764 L771 F773 F774 N775 | L720-L747 HydrophobicContact CB-CD1 4.14Å; L720-L747 HydrophobicContact CD2-CD1 4.11Å; L720-L747 HydrophobicContact CG-CD1 4.12Å; L720-L747 CarbonylContact O-C 3.43Å; L720-L747 WeakPolarHBondContact O-CA 3.46Å; L737-L747 HydrophobicContact CD1-CD1 4.12Å; L737-L747 HydrophobicContact CD1-CD2 3.6Å; L744-L747 HydrophobicContact CD2-CB 4.26Å; L744-L747 HydrophobicContact CD2-CD1 4.37Å; L747-W749 HydrophobicContact CD2-CD2 4.25Å; L747-W749 HydrophobicContact CD2-CE3 4.44Å; L747-W749 HydrophobicContact CD2-CZ2 4.33Å; L747-W749 HydrophobicContact CG-CD2 4.45Å; L747-T764 HydrophobicContact CD2-CG2 3.94Å; L747-L771 HydrophobicContact CB-CD1 4.29Å; L747-L771 HydrophobicContact CB-CD2 3.74Å; L747-L771 HydrophobicContact CD2-CD1 4.24Å; L747-F773 PolarHBondContact N-O 2.8Å; L747-F774 HydrophobicContact CB-CD2 4.3Å; L747-F774 HydrophobicContact CD2-CD2 4.14Å; L747-F774 HydrophobicContact CD2-CE2 4Å; L747-F774 HydrophobicContact CG-CD2 4.3Å; L747-F774 HydrophobicContact CG-CE2 4.39Å; L747-F774 CarbonylContact O-C 3.51Å; L747-F774 VanDerWaalsContact O-CA 3.27Å; L747-F774 WeakPolarHBondContact O-CA 3.32Å; L747-N775 PolarHBondContact O-N 2.95Å |
| 748 | S | 94.6 | Very high | 86.4 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.1 | 166.3 | -164.8 | 0 | 0 | 0 | 0 | 110 | L720 Q721 I722 D723 N775 F776 | L720-S748 PolarHBondContact O-N 2.73Å; Q721-S748 CarbonylContact C-O 3.41Å; Q721-S748 WeakPolarHBondContact CA-O 3.31Å; I722-S748 PolarHBondContact N-O 3.1Å; D723-S748 VanDerWaalsContact CG-OG 3.28Å; D723-S748 VanDerWaalsContact OD1-C 3.29Å; D723-S748 PolarHBondContact OD1-OG 3.49Å; D723-S748 PolarHBondContact OD2-OG 3.12Å; D723-S748 VanDerWaalsContact OD2-OG 3.08Å; S748-N775 WeakPolarHBondContact CA-OD1 3.44Å; S748-F776 WeakPolarHBondContact OG-CE2 3.39Å |
| 749 | W | 94.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | trans | -158.4 | 39 | 177.3 | 58.9 | 2 | 0 | 0 | 0 | 111.3 | I722 D723 L727 I730 N733 V734 L737 L747 N752 W754 I760 T764 F774 N775 | I722-W749 HydrophobicContact CB-CB 4.32Å; D723-W749 VanDerWaalsContact OD1-CA 3.23Å; D723-W749 WeakPolarHBondContact OD1-CA 3.21Å; D723-W749 PolarHBondContact OD1-N 3.26Å; L727-W749 HydrophobicContact CD1-CE3 4.14Å; I730-W749 HydrophobicContact CD1-CZ2 4.33Å; I730-W749 HydrophobicContact CG1-CH2 4.24Å; I730-W749 HydrophobicContact CG1-CZ2 4.49Å; N733-W749 HydrophobicContact CB-CZ3 3.9Å; V734-W749 HydrophobicContact CG2-CH2 3.74Å; V734-W749 HydrophobicContact CG2-CZ2 4.48Å; L737-W749 HydrophobicContact CD1-CZ3 4.17Å; L747-W749 HydrophobicContact CD2-CD2 4.25Å; L747-W749 HydrophobicContact CD2-CE3 4.44Å; L747-W749 HydrophobicContact CD2-CZ2 4.33Å; L747-W749 HydrophobicContact CG-CD2 4.45Å; W749-N752 PolarHBondContact O-ND2 3.06Å; W749-W754 HydrophobicContact CB-CZ2 4.19Å; W749-W754 AromaticContact CD2-CH2 3.86Å; W749-W754 HydrophobicContact CD2-CH2 3.86Å; W749-W754 AromaticContact CD2-CZ2 3.29Å; W749-W754 HydrophobicContact CD2-CZ2 3.29Å; W749-W754 AromaticContact CE2-CZ2 3.74Å; W749-W754 AromaticContact CE3-CH2 3.35Å; W749-W754 HydrophobicContact CE3-CH2 3.35Å; W749-W754 AromaticContact CE3-CZ2 3.28Å; W749-W754 HydrophobicContact CE3-CZ2 3.28Å; W749-W754 AromaticContact CG-CZ2 3.74Å; W749-W754 HydrophobicContact CG-CZ2 3.74Å; W749-W754 AromaticContact CH2-CH2 3.78Å; W749-W754 HydrophobicContact CH2-CH2 3.78Å; W749-W754 HydrophobicContact CH2-CZ2 4.09Å; W749-W754 HydrophobicContact CH2-CZ3 4.45Å; W749-W754 HydrophobicContact CZ2-CH2 4.25Å; W749-W754 HydrophobicContact CZ2-CZ2 4.11Å; W749-W754 AromaticContact CZ3-CH2 3.32Å; W749-W754 HydrophobicContact CZ3-CH2 3.32Å; W749-W754 AromaticContact CZ3-CZ2 3.72Å; W749-W754 HydrophobicContact CZ3-CZ2 3.72Å; W749-W754 HydrophobicContact CZ3-CZ3 4.29Å; W749-W754 PolarHBondContact O-NE1 2.88Å; W749-I760 HydrophobicContact CZ2-CG2 3.65Å; W749-T764 HydrophobicContact CZ2-CG2 4.13Å; W749-T764 VanDerWaalsContact CZ2-OG1 3.28Å; W749-T764 WeakPolarHBondContact CZ2-OG1 3.47Å; W749-F774 AromaticContact CD1-CE2 3.88Å; W749-F774 AromaticContact CD1-CZ 3.96Å; W749-F774 AromaticContact CE2-CE2 3.74Å; W749-F774 AromaticContact CE2-CZ 3.98Å; W749-F774 HydrophobicContact CZ2-CE2 4.1Å; W749-F774 HydrophobicContact CZ2-CZ 4.34Å; W749-F774 AromaticContact NE1-CE2 3.07Å; W749-F774 AromaticContact NE1-CZ 3.08Å; W749-N775 PolarHBondContact N-OD1 2.97Å | ||
| 750 | N | 89 | Confident | 85.6 | Confident | 60 Ų | 60 | 42.1 Ų | 42.1 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 157.7 | 172.9 | -84.1 | -27.7 | 0 | 0 | 0 | 111.7 | D723 Y724 N752 N775 | D723-N750 CarbonylContact C-O 3.58Å; D723-N750 VanDerWaalsContact CA-O 3.28Å; D723-N750 WeakPolarHBondContact CA-O 3.4Å; D723-N750 WeakPolarHBondContact OD1-CB 3.47Å; D723-N750 PolarHBondContact OD1-N 3.48Å; Y724-N750 PolarHBondContact N-O 3.37Å; N750-N752 PolarHBondContact O-N 3.23Å; N750-N752 PolarHBondContact O-ND2 3.26Å; N750-N775 PolarHBondContact OD1-ND2 3.38Å |
| 751 | N | 85.9 | Confident | 85.6 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 32 | 172.4 | -57.6 | -44.5 | 0 | 0 | 0 | 114.4 | F280 Y724 | F280-N751 HydrophobicContact CE2-CB 3.93Å; F280-N751 HydrophobicContact CZ-CB 3.76Å; Y724-N751 HydrophobicContact CD1-CB 3.54Å; Y724-N751 HydrophobicContact CD2-CB 4.36Å; Y724-N751 HydrophobicContact CE1-CB 3.6Å; Y724-N751 WeakPolarHBondContact CE1-ND2 3.42Å; Y724-N751 HydrophobicContact CE2-CB 4.42Å; Y724-N751 WeakPolarHBondContact CE2-ND2 3.14Å; Y724-N751 HydrophobicContact CG-CB 3.95Å; Y724-N751 PolarHBondContact OH-ND2 2.74Å; Y724-N751 VanDerWaalsContact OH-ND2 3.07Å |
| 752 | N | 87.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | trans | -98.3 | 149.3 | 167.4 | -81.5 | -83.5 | 0 | 0 | 0 | 110.6 | I722 N725 Q726 L727 W749 N750 W754 | I722-N752 PolarHBondContact O-ND2 3.42Å; N725-N752 WeakPolarHBondContact CA-OD1 3.41Å; N725-N752 WeakPolarHBondContact CB-OD1 3.49Å; N725-N752 PolarHBondContact N-OD1 3.32Å; N725-N752 PolarHBondContact O-OD1 2.9Å; Q726-N752 PolarHBondContact N-OD1 3.08Å; L727-N752 HydrophobicContact CB-CB 4.02Å; L727-N752 WeakPolarHBondContact CB-OD1 3.3Å; L727-N752 VanDerWaalsContact CG-OD1 3.3Å; L727-N752 WeakPolarHBondContact CG-OD1 3.01Å; L727-N752 PolarHBondContact N-OD1 3.37Å; W749-N752 PolarHBondContact O-ND2 3.06Å; N750-N752 PolarHBondContact O-N 3.23Å; N750-N752 PolarHBondContact O-ND2 3.26Å; N752-W754 HydrophobicContact CB-CD2 4.29Å; N752-W754 HydrophobicContact CB-CG 4.32Å; N752-W754 HydrophobicContact CB-CZ2 4.08Å; N752-W754 VanDerWaalsContact CB-NE1 3.34Å; N752-W754 VanDerWaalsContact O-CD1 3.31Å; N752-W754 PolarHBondContact O-N 3.2Å | ||
| 753 | P | 83.8 | Confident | 85 | Confident | 45 Ų | 45 | 44 Ų | 44 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | trans | -77.7 | 55 | -179.3 | 34.4 | -38.1 | 0 | 0 | 0 | 113 | N725 L727 T728 K755 | N725-P753 WeakPolarHBondContact O-CD 3.23Å; L727-P753 CarbonylContact O-C 3.2Å; L727-P753 VanDerWaalsContact O-CD 3.24Å; L727-P753 WeakPolarHBondContact O-CD 3.32Å; L727-P753 WeakPolarHBondContact O-CG 3.27Å; T728-P753 WeakPolarHBondContact CA-O 3.43Å; T728-P753 HydrophobicContact CG2-CB 4.49Å; T728-P753 HydrophobicContact CG2-CG 3.97Å; T728-P753 WeakPolarHBondContact CG2-O 3.27Å; P753-K755 PolarHBondContact O-N 3.09Å | ||
| 754 | W | 80.5 | Confident | 84.7 | Confident | 22 Ų | 22 | 39 Ų | 39 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | trans | -59.2 | 135.3 | -179.5 | -62.6 | 109.1 | 0 | 0 | 0 | 112.5 | L727 T728 I730 N733 W749 N752 I760 | L727-W754 HydrophobicContact CB-CE3 4.26Å; L727-W754 HydrophobicContact CB-CH2 3.34Å; L727-W754 HydrophobicContact CB-CZ2 3.63Å; L727-W754 HydrophobicContact CB-CZ3 3.69Å; L727-W754 HydrophobicContact CD1-CH2 3.57Å; L727-W754 HydrophobicContact CD1-CZ2 3.67Å; L727-W754 HydrophobicContact CG-CH2 4.07Å; L727-W754 HydrophobicContact CG-CZ2 4.3Å; L727-W754 PolarHBondContact O-N 3.46Å; T728-W754 CarbonylContact O-C 3.51Å; T728-W754 WeakPolarHBondContact O-CA 3.33Å; I730-W754 HydrophobicContact CB-CE3 4.25Å; I730-W754 HydrophobicContact CB-CZ3 4.39Å; N733-W754 HydrophobicContact CB-CH2 4.08Å; N733-W754 HydrophobicContact CB-CZ3 4.17Å; W749-W754 HydrophobicContact CB-CZ2 4.19Å; W749-W754 AromaticContact CD2-CH2 3.86Å; W749-W754 HydrophobicContact CD2-CH2 3.86Å; W749-W754 AromaticContact CD2-CZ2 3.29Å; W749-W754 HydrophobicContact CD2-CZ2 3.29Å; W749-W754 AromaticContact CE2-CZ2 3.74Å; W749-W754 AromaticContact CE3-CH2 3.35Å; W749-W754 HydrophobicContact CE3-CH2 3.35Å; W749-W754 AromaticContact CE3-CZ2 3.28Å; W749-W754 HydrophobicContact CE3-CZ2 3.28Å; W749-W754 AromaticContact CG-CZ2 3.74Å; W749-W754 HydrophobicContact CG-CZ2 3.74Å; W749-W754 AromaticContact CH2-CH2 3.78Å; W749-W754 HydrophobicContact CH2-CH2 3.78Å; W749-W754 HydrophobicContact CH2-CZ2 4.09Å; W749-W754 HydrophobicContact CH2-CZ3 4.45Å; W749-W754 HydrophobicContact CZ2-CH2 4.25Å; W749-W754 HydrophobicContact CZ2-CZ2 4.11Å; W749-W754 AromaticContact CZ3-CH2 3.32Å; W749-W754 HydrophobicContact CZ3-CH2 3.32Å; W749-W754 AromaticContact CZ3-CZ2 3.72Å; W749-W754 HydrophobicContact CZ3-CZ2 3.72Å; W749-W754 HydrophobicContact CZ3-CZ3 4.29Å; W749-W754 PolarHBondContact O-NE1 2.88Å; N752-W754 HydrophobicContact CB-CD2 4.29Å; N752-W754 HydrophobicContact CB-CG 4.32Å; N752-W754 HydrophobicContact CB-CZ2 4.08Å; N752-W754 VanDerWaalsContact CB-NE1 3.34Å; N752-W754 VanDerWaalsContact O-CD1 3.31Å; N752-W754 PolarHBondContact O-N 3.2Å; W754-I760 HydrophobicContact CB-CD1 3.55Å; W754-I760 HydrophobicContact CB-CG1 3.92Å; W754-I760 HydrophobicContact CD2-CD1 4.12Å; W754-I760 HydrophobicContact CD2-CG1 4.33Å; W754-I760 HydrophobicContact CG-CD1 3.28Å; W754-I760 HydrophobicContact CG-CG1 3.82Å | ||
| 755 | K | 68.3 | Low | 84.5 | Confident | 96 Ų | 96 | 39 Ų | 39 | 42% | 0.417 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 126.4 | 158.5 | -65.6 | -177.9 | 179.5 | -178.7 | 0 | 106.8 | T728 P753 | T728-K755 WeakPolarHBondContact O-CB 3.39Å; T728-K755 PolarHBondContact O-N 3.03Å; P753-K755 PolarHBondContact O-N 3.09Å |
| 756 | L | 66 | Low | 84 | Confident | 45 Ų | 45 | 36.6 Ų | 36.6 | 24% | 0.236 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 54.1 | 179.1 | -49.6 | 165 | 0 | 0 | 0 | 113.2 | K758 L759 L887 | L756-K758 PolarHBondContact O-N 3.35Å; L756-L759 HydrophobicContact CB-CB 4.32Å; L756-L759 HydrophobicContact CB-CD1 4.22Å; L756-L759 HydrophobicContact CD1-CD1 4.22Å; L756-L759 PolarHBondContact O-N 3.1Å; L756-L887 HydrophobicContact CD1-CD1 4.05Å; L756-L887 HydrophobicContact CD2-CD1 4.17Å; L756-L887 HydrophobicContact CD2-CD2 3.47Å; L756-L887 VanDerWaalsContact CD2-CD2 3.47Å; L756-L887 HydrophobicContact CD2-CG 4.38Å |
| 757 | E | 70.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 37.2 Ų | 37.2 | 41% | 0.407 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -35.4 | -175.2 | -163.4 | -175.1 | 177.2 | 0 | 0 | 113.6 | K339 L759 I760 | K339-E757 IonicContact NZ-OE1 3.55Å; K339-E757 PolarHBondContact NZ-OE1 2.99Å; K339-E757 IonicContact NZ-OE2 3.58Å; K339-E757 PolarHBondContact NZ-OE2 2.98Å; E757-L759 VanDerWaalsContact C-N 3.35Å; E757-L759 PolarHBondContact O-N 3.45Å; E757-I760 HydrophobicContact CB-CD1 4.1Å; E757-I760 HydrophobicContact CG-CD1 3.59Å; E757-I760 WeakPolarHBondContact O-CB 3.21Å; E757-I760 WeakPolarHBondContact O-CD1 3.27Å; E757-I760 WeakPolarHBondContact O-CG1 3.26Å; E757-I760 PolarHBondContact O-N 3.35Å |
| 758 | K | 71.7 | Confident | 83.3 | Confident | 99 Ų | 99 | 37.3 Ų | 37.3 | 43% | 0.43 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33.9 | 178.3 | -65.3 | -179 | 171.9 | -176 | 0 | 114.5 | L756 I760 S1469 T1470 | L756-K758 PolarHBondContact O-N 3.35Å; K758-I760 PolarHBondContact O-N 3.4Å; K758-S1469 VanDerWaalsContact CE-CA 3.42Å; K758-S1469 VanDerWaalsContact CE-CB 3.48Å; K758-T1470 WeakPolarHBondContact CE-O 3.49Å; K758-T1470 PolarHBondContact NZ-O 2.93Å; K758-T1470 PolarHBondContact NZ-OG1 2.91Å |
| 759 | L | 76.5 | Confident | 82.8 | Confident | 35 Ų | 35 | 42 Ų | 42 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -80.2 | -4.8 | 179.5 | -70.9 | 177.2 | 0 | 0 | 0 | 111.8 | L756 E757 R761 I762 Y763 L887 | L756-L759 HydrophobicContact CB-CB 4.32Å; L756-L759 HydrophobicContact CB-CD1 4.22Å; L756-L759 HydrophobicContact CD1-CD1 4.22Å; L756-L759 PolarHBondContact O-N 3.1Å; E757-L759 VanDerWaalsContact C-N 3.35Å; E757-L759 PolarHBondContact O-N 3.45Å; L759-R761 PolarHBondContact O-N 3.04Å; L759-I762 HydrophobicContact CD2-CD1 4.32Å; L759-I762 PolarHBondContact O-N 3.41Å; L759-Y763 WeakPolarHBondContact O-CB 3.41Å; L759-Y763 PolarHBondContact O-N 3.14Å; L759-L887 HydrophobicContact CD1-CD1 3.5Å |
| 760 | I | 83.7 | Confident | 82.6 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -55.8 | -173 | -59.8 | 161.4 | 0 | 0 | 0 | 110.5 | I730 W749 W754 E757 K758 T764 F774 | I730-I760 HydrophobicContact CD1-CB 4Å; I730-I760 HydrophobicContact CD1-CG1 4.36Å; I730-I760 HydrophobicContact CD1-CG2 3.84Å; I730-I760 VanDerWaalsContact CD1-O 3.22Å; I730-I760 WeakPolarHBondContact CD1-O 3.42Å; W749-I760 HydrophobicContact CZ2-CG2 3.65Å; W754-I760 HydrophobicContact CB-CD1 3.55Å; W754-I760 HydrophobicContact CB-CG1 3.92Å; W754-I760 HydrophobicContact CD2-CD1 4.12Å; W754-I760 HydrophobicContact CD2-CG1 4.33Å; W754-I760 HydrophobicContact CG-CD1 3.28Å; W754-I760 HydrophobicContact CG-CG1 3.82Å; E757-I760 HydrophobicContact CB-CD1 4.1Å; E757-I760 HydrophobicContact CG-CD1 3.59Å; E757-I760 WeakPolarHBondContact O-CB 3.21Å; E757-I760 WeakPolarHBondContact O-CD1 3.27Å; E757-I760 WeakPolarHBondContact O-CG1 3.26Å; E757-I760 PolarHBondContact O-N 3.35Å; K758-I760 PolarHBondContact O-N 3.4Å; I760-T764 WeakPolarHBondContact O-CB 3.47Å; I760-T764 PolarHBondContact O-N 3.2Å; I760-T764 PolarHBondContact O-OG1 2.88Å; I760-F774 HydrophobicContact CG2-CZ 3.76Å |
| 761 | R | 88.9 | Confident | 82.8 | Confident | 52 Ų | 52 | 41.6 Ų | 41.6 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -50.5 | -177.2 | -171.5 | 168.9 | 175.7 | 96 | 10.3 | 110.4 | L759 Y763 T764 L765 F774 E783 | L759-R761 PolarHBondContact O-N 3.04Å; R761-Y763 PolarHBondContact O-N 2.9Å; R761-T764 PolarHBondContact O-N 2.82Å; R761-L765 HydrophobicContact CG-CD1 3.69Å; R761-L765 HydrophobicContact CG-CG 4.15Å; R761-L765 WeakPolarHBondContact O-CB 3.17Å; R761-L765 WeakPolarHBondContact O-CG 3.25Å; R761-L765 PolarHBondContact O-N 2.67Å; R761-F774 HydrophobicContact CB-CD1 4.36Å; R761-F774 HydrophobicContact CB-CE1 3.84Å; R761-F774 HydrophobicContact CG-CD1 3.92Å; R761-F774 HydrophobicContact CG-CE1 3.91Å; R761-F774 PolarHBondContact NH1-O 3.31Å; R761-E783 IonicContact CZ-OE1 2.9Å; R761-E783 IonicContact CZ-OE2 3.95Å; R761-E783 IonicContact NE-OE1 3.29Å; R761-E783 PolarHBondContact NE-OE1 3.29Å; R761-E783 VanDerWaalsContact NH2-CD 3.26Å; R761-E783 IonicContact NH2-OE1 2.67Å; R761-E783 PolarHBondContact NH2-OE1 3.47Å; R761-E783 IonicContact NH2-OE2 3.13Å; R761-E783 PolarHBondContact NH2-OE2 2.82Å |
| 762 | I | 82.8 | Confident | 83.1 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 23% | 0.226 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.7 | -53.9 | -179.7 | -63.9 | 166.5 | 0 | 0 | 0 | 111.1 | L759 T764 L765 A766 S787 L790 | L759-I762 HydrophobicContact CD2-CD1 4.32Å; L759-I762 PolarHBondContact O-N 3.41Å; I762-T764 PolarHBondContact O-N 2.65Å; I762-L765 PolarHBondContact O-N 2.88Å; I762-A766 VanDerWaalsContact O-CB 3.25Å; I762-A766 WeakPolarHBondContact O-CB 3.45Å; I762-A766 PolarHBondContact O-N 3.32Å; I762-S787 WeakPolarHBondContact O-CB 3.39Å; I762-L790 HydrophobicContact CD1-CD1 4.02Å; I762-L790 HydrophobicContact CG1-CD1 4.31Å; I762-L790 HydrophobicContact CG2-CB 3.93Å; I762-L790 HydrophobicContact CG2-CD1 4.41Å |
| 763 | Y | 83.2 | Confident | 83.5 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | -177.3 | -172.4 | -85.1 | 0 | 0 | 0 | 111.9 | I730 I731 V734 L759 R761 K767 L791 | I730-Y763 HydrophobicContact CD1-CD1 3.86Å; I730-Y763 HydrophobicContact CD1-CG 4.19Å; I730-Y763 HydrophobicContact CG1-CD1 3.8Å; I730-Y763 HydrophobicContact CG1-CE1 4.5Å; I730-Y763 HydrophobicContact CG1-CG 4.46Å; I731-Y763 HydrophobicContact CG1-CE1 4.21Å; I731-Y763 HydrophobicContact CG1-CE2 4.08Å; V734-Y763 HydrophobicContact CB-CD1 4.23Å; V734-Y763 HydrophobicContact CB-CE1 3.88Å; V734-Y763 HydrophobicContact CG1-CD1 4.26Å; V734-Y763 HydrophobicContact CG1-CE1 3.87Å; V734-Y763 HydrophobicContact CG2-CD1 3.98Å; V734-Y763 HydrophobicContact CG2-CE1 4.15Å; L759-Y763 WeakPolarHBondContact O-CB 3.41Å; L759-Y763 PolarHBondContact O-N 3.14Å; R761-Y763 PolarHBondContact O-N 2.9Å; Y763-K767 HydrophobicContact CD1-CG 4.18Å; Y763-K767 HydrophobicContact CE1-CG 3.81Å; Y763-K767 HydrophobicContact CE2-CG 4.46Å; Y763-K767 WeakPolarHBondContact O-CB 3.3Å; Y763-K767 WeakPolarHBondContact O-CG 3.34Å; Y763-K767 PolarHBondContact O-N 2.97Å; Y763-K767 VanDerWaalsContact O-N 3.14Å; Y763-L791 HydrophobicContact CD2-CD1 3.48Å; Y763-L791 VanDerWaalsContact CD2-CD1 3.48Å; Y763-L791 HydrophobicContact CE2-CD1 3.99Å; Y763-L791 HydrophobicContact CG-CD1 4.45Å |
| 764 | T | 88.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 179.7 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | I730 V734 L747 W749 I760 R761 I762 K767 I768 L771 F774 | I730-T764 WeakPolarHBondContact CD1-OG1 3.4Å; V734-T764 HydrophobicContact CG2-CG2 4.32Å; L747-T764 HydrophobicContact CD2-CG2 3.94Å; W749-T764 HydrophobicContact CZ2-CG2 4.13Å; W749-T764 VanDerWaalsContact CZ2-OG1 3.28Å; W749-T764 WeakPolarHBondContact CZ2-OG1 3.47Å; I760-T764 WeakPolarHBondContact O-CB 3.47Å; I760-T764 PolarHBondContact O-N 3.2Å; I760-T764 PolarHBondContact O-OG1 2.88Å; R761-T764 PolarHBondContact O-N 2.82Å; I762-T764 PolarHBondContact O-N 2.65Å; T764-K767 PolarHBondContact O-N 3.37Å; T764-I768 HydrophobicContact CG2-CD1 4.03Å; T764-I768 HydrophobicContact CG2-CG1 4.44Å; T764-I768 WeakPolarHBondContact O-CB 3.29Å; T764-I768 PolarHBondContact O-N 2.96Å; T764-L771 HydrophobicContact CG2-CD1 3.86Å; T764-F774 HydrophobicContact CG2-CD2 4.2Å; T764-F774 HydrophobicContact CG2-CE2 3.75Å |
| 765 | L | 90.6 | Very high | 84.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | 180 | -64.2 | -176.4 | 0 | 0 | 0 | 112.3 | R761 I762 K767 F774 I779 E783 | R761-L765 HydrophobicContact CG-CD1 3.69Å; R761-L765 HydrophobicContact CG-CG 4.15Å; R761-L765 WeakPolarHBondContact O-CB 3.17Å; R761-L765 WeakPolarHBondContact O-CG 3.25Å; R761-L765 PolarHBondContact O-N 2.67Å; I762-L765 PolarHBondContact O-N 2.88Å; L765-K767 VanDerWaalsContact C-N 3.26Å; L765-K767 PolarHBondContact O-N 3.12Å; L765-F774 HydrophobicContact CD2-CB 4.4Å; L765-I779 HydrophobicContact CD1-CG2 4.2Å; L765-I779 HydrophobicContact CD2-CB 4.47Å; L765-I779 HydrophobicContact CD2-CD1 3.34Å; L765-I779 HydrophobicContact CD2-CG1 3.71Å; L765-I779 HydrophobicContact CD2-CG2 3.92Å; L765-E783 HydrophobicContact CD1-CG 3.85Å |
| 766 | A | 85.2 | Confident | 85.1 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I762 K788 L791 | I762-A766 VanDerWaalsContact O-CB 3.25Å; I762-A766 WeakPolarHBondContact O-CB 3.45Å; I762-A766 PolarHBondContact O-N 3.32Å; A766-K788 HydrophobicContact CB-CG 4.18Å; A766-L791 HydrophobicContact CB-CB 4.47Å; A766-L791 HydrophobicContact CB-CD2 4.39Å |
| 767 | K | 88.3 | Confident | 86.2 | Confident | 88 Ų | 88 | 51.8 Ų | 51.8 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -92.6 | -47.5 | -177 | -68.2 | -59.9 | -177.5 | -172.3 | 0 | 113.3 | V734 L738 Y763 T764 L765 N769 | V734-K767 HydrophobicContact CG1-CB 3.55Å; V734-K767 HydrophobicContact CG1-CG 4.1Å; L738-K767 HydrophobicContact CD1-CB 4.23Å; L738-K767 WeakPolarHBondContact CD2-O 3.39Å; Y763-K767 HydrophobicContact CD1-CG 4.18Å; Y763-K767 HydrophobicContact CE1-CG 3.81Å; Y763-K767 HydrophobicContact CE2-CG 4.46Å; Y763-K767 WeakPolarHBondContact O-CB 3.3Å; Y763-K767 WeakPolarHBondContact O-CG 3.34Å; Y763-K767 PolarHBondContact O-N 2.97Å; Y763-K767 VanDerWaalsContact O-N 3.14Å; T764-K767 PolarHBondContact O-N 3.37Å; L765-K767 VanDerWaalsContact C-N 3.26Å; L765-K767 PolarHBondContact O-N 3.12Å; K767-N769 PolarHBondContact O-N 2.76Å |
| 768 | I | 89.8 | Confident | 87.1 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | trans | -101.9 | 75.7 | -178.1 | -43.9 | -179.9 | 0 | 0 | 0 | 109.3 | V734 L737 L738 T764 S770 L771 | V734-I768 HydrophobicContact CG1-CD1 4.11Å; V734-I768 HydrophobicContact CG1-CG1 3.93Å; L737-I768 HydrophobicContact CB-CD1 3.7Å; L737-I768 HydrophobicContact CD1-CD1 3.67Å; L737-I768 HydrophobicContact CG-CD1 4.32Å; L738-I768 HydrophobicContact CD2-CG1 3.96Å; L738-I768 HydrophobicContact CG-CG1 4.16Å; T764-I768 HydrophobicContact CG2-CD1 4.03Å; T764-I768 HydrophobicContact CG2-CG1 4.44Å; T764-I768 WeakPolarHBondContact O-CB 3.29Å; T764-I768 PolarHBondContact O-N 2.96Å; I768-S770 PolarHBondContact O-N 3.31Å; I768-L771 HydrophobicContact CB-CD1 3.98Å; I768-L771 HydrophobicContact CB-CG 4.18Å; I768-L771 HydrophobicContact CG2-CD1 4.08Å; I768-L771 HydrophobicContact CG2-CD2 4.44Å; I768-L771 HydrophobicContact CG2-CG 3.77Å; I768-L771 PolarHBondContact O-N 3.1Å | ||
| 769 | N | 84.9 | Confident | 88 | Confident | 101 Ų | 101 | 46.9 Ų | 46.9 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -5.5 | -177.8 | 62.8 | -12.7 | 0 | 0 | 0 | 114.7 | K767 L771 I784 | K767-N769 PolarHBondContact O-N 2.76Å; N769-L771 VanDerWaalsContact C-N 3.31Å; N769-I784 HydrophobicContact CB-CG2 4.17Å |
| 770 | S | 88.6 | Confident | 88.5 | Confident | 47 Ų | 47 | 51 Ų | 51 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14.5 | 175.1 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | L744 I768 K772 | L744-S770 CarbonylContact O-C 3.02Å; L744-S770 WeakPolarHBondContact O-CB 3.2Å; L744-S770 PolarHBondContact O-OG 3.37Å; I768-S770 PolarHBondContact O-N 3.31Å; S770-K772 PolarHBondContact O-N 3.16Å |
| 771 | L | 93 | Very high | 88.6 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | trans | -67.4 | 131.5 | -177.2 | -68.3 | 172.9 | 0 | 0 | 0 | 111.7 | L744 L747 T764 I768 N769 F774 I779 | L744-L771 HydrophobicContact CD2-CD2 4.12Å; L744-L771 HydrophobicContact CG-CD2 3.98Å; L747-L771 HydrophobicContact CB-CD1 4.29Å; L747-L771 HydrophobicContact CB-CD2 3.74Å; L747-L771 HydrophobicContact CD2-CD1 4.24Å; T764-L771 HydrophobicContact CG2-CD1 3.86Å; I768-L771 HydrophobicContact CB-CD1 3.98Å; I768-L771 HydrophobicContact CB-CG 4.18Å; I768-L771 HydrophobicContact CG2-CD1 4.08Å; I768-L771 HydrophobicContact CG2-CD2 4.44Å; I768-L771 HydrophobicContact CG2-CG 3.77Å; I768-L771 PolarHBondContact O-N 3.1Å; N769-L771 VanDerWaalsContact C-N 3.31Å; L771-F774 HydrophobicContact CD1-CD2 4.33Å; L771-I779 HydrophobicContact CB-CD1 3.4Å; L771-I779 VanDerWaalsContact CB-CD1 3.4Å; L771-I779 WeakPolarHBondContact O-CD1 3.2Å | ||
| 772 | K | 93.4 | Very high | 88.5 | Confident | 103 Ų | 103 | 64 Ų | 64 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -100.8 | -31.9 | 169.8 | -63 | 179.8 | -172.6 | 159.6 | 0 | 111.9 | E745 S770 I779 | E745-K772 HydrophobicContact CB-CD 4.34Å; E745-K772 HydrophobicContact CB-CG 4.33Å; E745-K772 VanDerWaalsContact CD-CE 3.47Å; E745-K772 PolarHBondContact O-N 2.99Å; E745-K772 WeakPolarHBondContact OE1-CE 3.34Å; E745-K772 IonicContact OE1-NZ 2.75Å; E745-K772 PolarHBondContact OE1-NZ 3.04Å; E745-K772 WeakPolarHBondContact OE2-CD 3.37Å; E745-K772 WeakPolarHBondContact OE2-CE 3.19Å; E745-K772 IonicContact OE2-NZ 3.15Å; E745-K772 PolarHBondContact OE2-NZ 3.19Å; S770-K772 PolarHBondContact O-N 3.16Å; K772-I779 PolarHBondContact O-N 2.94Å |
| 773 | F | 94.7 | Very high | 88.7 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 38% | 0.382 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.1 | 176.3 | -63.9 | -94.9 | 0 | 0 | 0 | 111.4 | E745 K746 L747 Q777 | E745-F773 PolarHBondContact O-N 3.05Å; K746-F773 WeakPolarHBondContact CA-O 3.4Å; K746-F773 HydrophobicContact CB-CB 4.31Å; K746-F773 HydrophobicContact CD-CD2 4.38Å; K746-F773 HydrophobicContact CG-CB 4.08Å; K746-F773 HydrophobicContact CG-CD2 3.97Å; K746-F773 HydrophobicContact CG-CG 4.4Å; L747-F773 PolarHBondContact N-O 2.8Å; F773-Q777 CarbonylContact C-O 3.34Å; F773-Q777 VanDerWaalsContact CA-O 3.25Å; F773-Q777 WeakPolarHBondContact CA-O 3.31Å |
| 774 | F | 93.4 | Very high | 88.8 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 123.8 | 173.8 | -179.4 | -102.3 | 0 | 0 | 0 | 110.2 | L747 W749 I760 R761 T764 L765 L771 F776 Q777 I779 | L747-F774 HydrophobicContact CB-CD2 4.3Å; L747-F774 HydrophobicContact CD2-CD2 4.14Å; L747-F774 HydrophobicContact CD2-CE2 4Å; L747-F774 HydrophobicContact CG-CD2 4.3Å; L747-F774 HydrophobicContact CG-CE2 4.39Å; L747-F774 CarbonylContact O-C 3.51Å; L747-F774 VanDerWaalsContact O-CA 3.27Å; L747-F774 WeakPolarHBondContact O-CA 3.32Å; W749-F774 AromaticContact CD1-CE2 3.88Å; W749-F774 AromaticContact CD1-CZ 3.96Å; W749-F774 AromaticContact CE2-CE2 3.74Å; W749-F774 AromaticContact CE2-CZ 3.98Å; W749-F774 HydrophobicContact CZ2-CE2 4.1Å; W749-F774 HydrophobicContact CZ2-CZ 4.34Å; W749-F774 AromaticContact NE1-CE2 3.07Å; W749-F774 AromaticContact NE1-CZ 3.08Å; I760-F774 HydrophobicContact CG2-CZ 3.76Å; R761-F774 HydrophobicContact CB-CD1 4.36Å; R761-F774 HydrophobicContact CB-CE1 3.84Å; R761-F774 HydrophobicContact CG-CD1 3.92Å; R761-F774 HydrophobicContact CG-CE1 3.91Å; R761-F774 PolarHBondContact NH1-O 3.31Å; T764-F774 HydrophobicContact CG2-CD2 4.2Å; T764-F774 HydrophobicContact CG2-CE2 3.75Å; L765-F774 HydrophobicContact CD2-CB 4.4Å; L771-F774 HydrophobicContact CD1-CD2 4.33Å; F774-F776 PolarHBondContact O-N 3.2Å; F774-Q777 PolarHBondContact N-O 2.73Å; F774-Q777 WeakPolarHBondContact O-CB 3.5Å; F774-Q777 PolarHBondContact O-N 3.48Å; F774-I779 HydrophobicContact CB-CD1 3.83Å; F774-I779 HydrophobicContact CB-CG1 4.13Å |
| 775 | N | 88.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 47.3 | -172.6 | -65.5 | -20.9 | 0 | 0 | 0 | 111.7 | L747 S748 W749 N750 Q777 | L747-N775 PolarHBondContact O-N 2.95Å; S748-N775 WeakPolarHBondContact CA-OD1 3.44Å; W749-N775 PolarHBondContact N-OD1 2.97Å; N750-N775 PolarHBondContact OD1-ND2 3.38Å; N775-Q777 PolarHBondContact O-N 3.06Å; N775-Q777 VanDerWaalsContact O-N 3.09Å |
| 776 | F | 85.6 | Confident | 88.3 | Confident | 122 Ų | 122 | 73.7 Ų | 73.7 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 8.6 | -177.5 | -49.3 | -71.9 | 0 | 0 | 0 | 116 | Q721 S748 F774 | Q721-F776 HydrophobicContact CG-CE1 4.47Å; Q721-F776 HydrophobicContact CG-CZ 4.29Å; S748-F776 WeakPolarHBondContact OG-CE2 3.39Å; F774-F776 PolarHBondContact O-N 3.2Å |
| 777 | Q | 87.9 | Confident | 88.2 | Confident | 117 Ų | 117 | 73.3 Ų | 73.3 | 55% | 0.547 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139.3 | 174.1 | -63.3 | 175.9 | -10.4 | 0 | 0 | 110.7 | F773 F774 N775 | F773-Q777 CarbonylContact C-O 3.34Å; F773-Q777 VanDerWaalsContact CA-O 3.25Å; F773-Q777 WeakPolarHBondContact CA-O 3.31Å; F774-Q777 PolarHBondContact N-O 2.73Å; F774-Q777 WeakPolarHBondContact O-CB 3.5Å; F774-Q777 PolarHBondContact O-N 3.48Å; N775-Q777 PolarHBondContact O-N 3.06Å; N775-Q777 VanDerWaalsContact O-N 3.09Å |
| 778 | S | 90.6 | Very high | 87.9 | Confident | 62 Ų | 62 | 73.5 Ų | 73.5 | 43% | 0.434 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 145.3 | 173.2 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 779 | I | 90.6 | Very high | 87.3 | Confident | 22 Ų | 22 | 79.5 Ų | 79.5 | 11% | 0.113 | 38% | 0.383 | C | S | . | . | trans | -106.4 | 132.6 | 176.7 | -58.8 | 156 | 0 | 0 | 0 | 108.9 | L765 L771 K772 F774 I784 | L765-I779 HydrophobicContact CD1-CG2 4.2Å; L765-I779 HydrophobicContact CD2-CB 4.47Å; L765-I779 HydrophobicContact CD2-CD1 3.34Å; L765-I779 HydrophobicContact CD2-CG1 3.71Å; L765-I779 HydrophobicContact CD2-CG2 3.92Å; L771-I779 HydrophobicContact CB-CD1 3.4Å; L771-I779 VanDerWaalsContact CB-CD1 3.4Å; L771-I779 WeakPolarHBondContact O-CD1 3.2Å; K772-I779 PolarHBondContact O-N 2.94Å; F774-I779 HydrophobicContact CB-CD1 3.83Å; F774-I779 HydrophobicContact CB-CG1 4.13Å; I779-I784 HydrophobicContact CG2-CD1 3.99Å; I779-I784 HydrophobicContact CG2-CG1 3.77Å | ||
| 780 | H | 87.3 | Confident | 86.9 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 56% | 0.56 | 37% | 0.366 | S | S | * | . | trans | -97.9 | 149.2 | 174.5 | -64.3 | -71.2 | 0 | 0 | 0 | 111 | E782 E783 I784 | H780-E782 VanDerWaalsContact C-N 3.27Å; H780-E782 PolarHBondContact O-N 3.3Å; H780-E783 VanDerWaalsContact O-CB 3.25Å; H780-E783 WeakPolarHBondContact O-CB 3.49Å; H780-E783 PolarHBondContact O-N 3.01Å; H780-I784 PolarHBondContact O-N 2.86Å | ||
| 781 | K | 85 | Confident | 86.2 | Confident | 181 Ų | 181 | 76 Ų | 76 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.2 | -40.8 | 179.4 | -84.4 | -174.2 | 175.7 | -178.5 | 0 | 112.9 | E783 I784 E785 | K781-E783 PolarHBondContact O-N 2.57Å; K781-I784 PolarHBondContact O-N 3.06Å; K781-I784 VanDerWaalsContact O-N 3.16Å; K781-E785 PolarHBondContact O-N 3.48Å |
| 782 | E | 86 | Confident | 85.1 | Confident | 157 Ų | 157 | 81 Ų | 81 | 73% | 0.734 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.1 | -34.9 | 177.3 | -65.6 | 163.7 | -168.1 | 0 | 0 | 111.9 | H780 E785 L786 | H780-E782 VanDerWaalsContact C-N 3.27Å; H780-E782 PolarHBondContact O-N 3.3Å; E782-E785 PolarHBondContact O-N 3.18Å; E782-L786 WeakPolarHBondContact O-CB 3.29Å; E782-L786 PolarHBondContact O-N 3.33Å |
| 783 | E | 86.8 | Confident | 84.1 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 23% | 0.234 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.6 | -36.5 | 179.2 | -168.9 | -179.6 | -169.9 | 0 | 0 | 112.3 | R761 L765 H780 K781 S787 | R761-E783 IonicContact CZ-OE1 2.9Å; R761-E783 IonicContact CZ-OE2 3.95Å; R761-E783 IonicContact NE-OE1 3.29Å; R761-E783 PolarHBondContact NE-OE1 3.29Å; R761-E783 VanDerWaalsContact NH2-CD 3.26Å; R761-E783 IonicContact NH2-OE1 2.67Å; R761-E783 PolarHBondContact NH2-OE1 3.47Å; R761-E783 IonicContact NH2-OE2 3.13Å; R761-E783 PolarHBondContact NH2-OE2 2.82Å; L765-E783 HydrophobicContact CD1-CG 3.85Å; H780-E783 VanDerWaalsContact O-CB 3.25Å; H780-E783 WeakPolarHBondContact O-CB 3.49Å; H780-E783 PolarHBondContact O-N 3.01Å; K781-E783 PolarHBondContact O-N 2.57Å; E783-S787 VanDerWaalsContact O-CB 3.29Å; E783-S787 WeakPolarHBondContact O-CB 3.18Å; E783-S787 PolarHBondContact O-N 3.45Å; E783-S787 PolarHBondContact O-OG 3.5Å |
| 784 | I | 85.6 | Confident | 83.3 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 176.3 | -62.9 | 172.2 | 0 | 0 | 0 | 110.2 | N769 I779 H780 K781 S787 K788 | N769-I784 HydrophobicContact CB-CG2 4.17Å; I779-I784 HydrophobicContact CG2-CD1 3.99Å; I779-I784 HydrophobicContact CG2-CG1 3.77Å; H780-I784 PolarHBondContact O-N 2.86Å; K781-I784 PolarHBondContact O-N 3.06Å; K781-I784 VanDerWaalsContact O-N 3.16Å; I784-S787 PolarHBondContact O-N 3.25Å; I784-K788 WeakPolarHBondContact O-CG 3.35Å; I784-K788 PolarHBondContact O-N 3.26Å; I784-K788 VanDerWaalsContact O-N 3.12Å |
| 785 | E | 85.5 | Confident | 82.7 | Confident | 126 Ų | 126 | 76.8 Ų | 76.8 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 176.4 | -70.7 | -172.7 | 169.6 | 0 | 0 | 111.7 | K781 E782 S787 K788 Q789 | K781-E785 PolarHBondContact O-N 3.48Å; E782-E785 PolarHBondContact O-N 3.18Å; E785-S787 VanDerWaalsContact C-N 3.29Å; E785-S787 PolarHBondContact O-N 3.16Å; E785-K788 PolarHBondContact O-N 3.43Å; E785-Q789 WeakPolarHBondContact O-CG 3.47Å; E785-Q789 PolarHBondContact O-N 2.9Å; E785-Q789 VanDerWaalsContact O-N 3.1Å |
| 786 | L | 83.9 | Confident | 82.5 | Confident | 86 Ų | 86 | 75.4 Ų | 75.4 | 45% | 0.45 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 173.8 | -169.6 | 85.8 | 0 | 0 | 0 | 111.4 | E782 K788 Q789 L790 | E782-L786 WeakPolarHBondContact O-CB 3.29Å; E782-L786 PolarHBondContact O-N 3.33Å; L786-K788 VanDerWaalsContact C-N 3.31Å; L786-K788 PolarHBondContact O-N 3.25Å; L786-Q789 PolarHBondContact O-N 2.82Å; L786-L790 HydrophobicContact CD2-CD1 4.2Å; L786-L790 HydrophobicContact CG-CD1 4.11Å; L786-L790 WeakPolarHBondContact O-CB 3.45Å; L786-L790 WeakPolarHBondContact O-CG 3.17Å; L786-L790 PolarHBondContact O-N 3.12Å |
| 787 | S | 83.3 | Confident | 82.4 | Confident | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.028 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 179.9 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | I762 E783 I784 E785 L791 | I762-S787 WeakPolarHBondContact O-CB 3.39Å; E783-S787 VanDerWaalsContact O-CB 3.29Å; E783-S787 WeakPolarHBondContact O-CB 3.18Å; E783-S787 PolarHBondContact O-N 3.45Å; E783-S787 PolarHBondContact O-OG 3.5Å; I784-S787 PolarHBondContact O-N 3.25Å; E785-S787 VanDerWaalsContact C-N 3.29Å; E785-S787 PolarHBondContact O-N 3.16Å; S787-L791 WeakPolarHBondContact O-CB 3.36Å; S787-L791 PolarHBondContact O-N 3.15Å |
| 788 | K | 80.8 | Confident | 82 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.1 | -46.3 | 174.3 | -71.7 | 175.4 | 180 | 179.1 | 0 | 111.6 | A766 I784 E785 L786 L790 L791 D792 | A766-K788 HydrophobicContact CB-CG 4.18Å; I784-K788 WeakPolarHBondContact O-CG 3.35Å; I784-K788 PolarHBondContact O-N 3.26Å; I784-K788 VanDerWaalsContact O-N 3.12Å; E785-K788 PolarHBondContact O-N 3.43Å; L786-K788 VanDerWaalsContact C-N 3.31Å; L786-K788 PolarHBondContact O-N 3.25Å; K788-L790 VanDerWaalsContact C-N 3.27Å; K788-L790 PolarHBondContact O-N 3.38Å; K788-L791 WeakPolarHBondContact O-CB 3.35Å; K788-L791 PolarHBondContact O-N 3.29Å; K788-L791 VanDerWaalsContact O-N 3.09Å; K788-D792 PolarHBondContact O-N 2.88Å |
| 789 | Q | 77.1 | Confident | 81.2 | Confident | 132 Ų | 132 | 71.3 Ų | 71.3 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.7 | -40.4 | 176.3 | -69.1 | 176.5 | -5.1 | 0 | 0 | 111.8 | E785 L786 D792 S793 | E785-Q789 WeakPolarHBondContact O-CG 3.47Å; E785-Q789 PolarHBondContact O-N 2.9Å; E785-Q789 VanDerWaalsContact O-N 3.1Å; L786-Q789 PolarHBondContact O-N 2.82Å; Q789-D792 PolarHBondContact O-N 3.16Å; Q789-S793 PolarHBondContact O-N 2.79Å |
| 790 | L | 76.1 | Confident | 80.6 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 18% | 0.183 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.6 | -33.2 | 175.3 | -77.5 | 170.7 | 0 | 0 | 0 | 113.4 | I762 L786 K788 S793 C794 I1478 | I762-L790 HydrophobicContact CD1-CD1 4.02Å; I762-L790 HydrophobicContact CG1-CD1 4.31Å; I762-L790 HydrophobicContact CG2-CB 3.93Å; I762-L790 HydrophobicContact CG2-CD1 4.41Å; L786-L790 HydrophobicContact CD2-CD1 4.2Å; L786-L790 HydrophobicContact CG-CD1 4.11Å; L786-L790 WeakPolarHBondContact O-CB 3.45Å; L786-L790 WeakPolarHBondContact O-CG 3.17Å; L786-L790 PolarHBondContact O-N 3.12Å; K788-L790 VanDerWaalsContact C-N 3.27Å; K788-L790 PolarHBondContact O-N 3.38Å; L790-S793 PolarHBondContact O-OG 3.27Å; L790-C794 PolarHBondContact O-SG 3.16Å; L790-I1478 HydrophobicContact CD1-CD1 4.29Å; L790-I1478 HydrophobicContact CD2-CD1 3.27Å; L790-I1478 HydrophobicContact CG-CD1 4.22Å |
| 791 | L | 74.2 | Confident | 80.4 | Confident | 40 Ų | 40 | 65.6 Ų | 65.6 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.3 | -40 | 176.1 | -165.4 | 81.8 | 0 | 0 | 0 | 111.1 | Y763 A766 S787 K788 S793 C794 | Y763-L791 HydrophobicContact CD2-CD1 3.48Å; Y763-L791 VanDerWaalsContact CD2-CD1 3.48Å; Y763-L791 HydrophobicContact CE2-CD1 3.99Å; Y763-L791 HydrophobicContact CG-CD1 4.45Å; A766-L791 HydrophobicContact CB-CB 4.47Å; A766-L791 HydrophobicContact CB-CD2 4.39Å; S787-L791 WeakPolarHBondContact O-CB 3.36Å; S787-L791 PolarHBondContact O-N 3.15Å; K788-L791 WeakPolarHBondContact O-CB 3.35Å; K788-L791 PolarHBondContact O-N 3.29Å; K788-L791 VanDerWaalsContact O-N 3.09Å; L791-S793 PolarHBondContact O-N 3.06Å; L791-C794 VanDerWaalsContact O-CB 3.3Å; L791-C794 WeakPolarHBondContact O-CB 3.2Å; L791-C794 PolarHBondContact O-N 2.95Å; L791-C794 VanDerWaalsContact O-N 3.11Å |
| 792 | D | 70 | Confident | 79.9 | Confident | 109 Ų | 109 | 60.1 Ų | 60.1 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.2 | -27 | 179.5 | -70 | -20.7 | 0 | 0 | 0 | 112.2 | K788 Q789 C794 | K788-D792 PolarHBondContact O-N 2.88Å; Q789-D792 PolarHBondContact O-N 3.16Å; D792-C794 VanDerWaalsContact C-N 3.26Å; D792-C794 PolarHBondContact O-N 3.43Å |
| 793 | S | 72 | Confident | 79.2 | Confident | 49 Ų | 49 | 60 Ų | 60 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.6 | 174.2 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | Q789 L790 L791 I795 | Q789-S793 PolarHBondContact O-N 2.79Å; L790-S793 PolarHBondContact O-OG 3.27Å; L791-S793 PolarHBondContact O-N 3.06Å; S793-I795 PolarHBondContact O-N 3.01Å |
| 794 | C | 78.1 | Confident | 78.6 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 8.7 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | L790 L791 D792 N865 I866 Y867 | L790-C794 PolarHBondContact O-SG 3.16Å; L791-C794 VanDerWaalsContact O-CB 3.3Å; L791-C794 WeakPolarHBondContact O-CB 3.2Å; L791-C794 PolarHBondContact O-N 2.95Å; L791-C794 VanDerWaalsContact O-N 3.11Å; D792-C794 VanDerWaalsContact C-N 3.26Å; D792-C794 PolarHBondContact O-N 3.43Å; C794-N865 HydrophobicContact CB-CB 4.42Å; C794-N865 WeakPolarHBondContact CB-O 3.5Å; C794-I866 WeakPolarHBondContact O-CA 3.47Å; C794-Y867 HydrophobicContact CB-CD1 4.36Å; C794-Y867 WeakPolarHBondContact O-CD1 3.34Å |
| 795 | I | 81.7 | Confident | 78 | Confident | 47 Ų | 47 | 60.5 Ų | 60.5 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -126.6 | 137.7 | 179.9 | -61 | 174.4 | 0 | 0 | 0 | 108.7 | S793 T797 Y867 Q870 | S793-I795 PolarHBondContact O-N 3.01Å; I795-T797 PolarHBondContact O-N 3.07Å; I795-Y867 HydrophobicContact CD1-CE1 4.29Å; I795-Y867 WeakPolarHBondContact CD1-OH 3.37Å; I795-Y867 HydrophobicContact CG1-CE1 3.64Å; I795-Q870 HydrophobicContact CG2-CG 4.5Å |
| 796 | I | 85.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -64.1 | 110.4 | 174.3 | -55 | 175.3 | 0 | 0 | 0 | 109.1 | I801 L861 I866 N871 L872 L883 | I796-I801 HydrophobicContact CG2-CD1 4.12Å; I796-I801 HydrophobicContact CG2-CG1 4.15Å; I796-L861 HydrophobicContact CD1-CD1 3.76Å; I796-L861 HydrophobicContact CG1-CD1 4Å; I796-L861 HydrophobicContact CG2-CD1 4.01Å; I796-I866 HydrophobicContact CD1-CD1 4.4Å; I796-I866 HydrophobicContact CD1-CG2 4.16Å; I796-I866 HydrophobicContact CG1-CD1 3.75Å; I796-I866 HydrophobicContact CG1-CG1 4.14Å; I796-I866 HydrophobicContact CG1-CG2 3.89Å; I796-N871 PolarHBondContact O-ND2 3.25Å; I796-L872 HydrophobicContact CD1-CD2 4.46Å; I796-L872 HydrophobicContact CG2-CD2 4.11Å; I796-L883 HydrophobicContact CD1-CD2 4.18Å | ||
| 797 | T | 82.4 | Confident | 75.7 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 31% | 0.313 | 28% | 0.282 | S | S | . | . | trans | -106.8 | 159.9 | 176.9 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | I795 N799 M800 I801 | I795-T797 PolarHBondContact O-N 3.07Å; T797-N799 PolarHBondContact O-N 3.19Å; T797-M800 HydrophobicContact CG2-SD 4.38Å; T797-M800 WeakPolarHBondContact O-CB 3.48Å; T797-M800 PolarHBondContact O-N 3.2Å; T797-M800 VanDerWaalsContact O-N 3.09Å; T797-M800 VanDerWaalsContact OG1-CG 3.28Å; T797-M800 WeakPolarHBondContact OG1-CG 3.4Å; T797-M800 PolarHBondContact OG1-N 3.11Å; T797-M800 PolarHBondContact OG1-SD 3.01Å; T797-I801 PolarHBondContact O-N 2.72Å; T797-I801 VanDerWaalsContact O-N 3.11Å | ||
| 798 | T | 78.8 | Confident | 74.1 | Confident | 61 Ų | 61 | 56 Ų | 56 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.6 | -41.2 | 172.6 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | M800 I801 Q802 I851 Y853 | T798-M800 VanDerWaalsContact C-N 3.33Å; T798-M800 PolarHBondContact O-N 3.29Å; T798-I801 PolarHBondContact O-N 3.46Å; T798-Q802 WeakPolarHBondContact O-CG 3.14Å; T798-Q802 PolarHBondContact O-N 3.35Å; T798-I851 HydrophobicContact CG2-CD1 3.97Å; T798-Y853 WeakPolarHBondContact CG2-OH 2.79Å |
| 799 | N | 75.3 | Confident | 72.2 | Confident | 103 Ų | 103 | 55.5 Ų | 55.5 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.6 | -35.9 | 177.8 | -76.2 | 4.8 | 0 | 0 | 0 | 112.3 | T797 Q802 Q803 | T797-N799 PolarHBondContact O-N 3.19Å; N799-Q802 WeakPolarHBondContact O-CB 3.43Å; N799-Q802 PolarHBondContact O-N 3.02Å; N799-Q803 WeakPolarHBondContact O-CG 3.39Å; N799-Q803 PolarHBondContact O-N 3.29Å |
| 800 | M | 77.7 | Confident | 70.3 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 11% | 0.108 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.4 | -71.1 | 164.1 | 75.5 | 0 | 0 | 111.3 | T797 T798 Q802 Q803 L804 L864 I866 | T797-M800 HydrophobicContact CG2-SD 4.38Å; T797-M800 WeakPolarHBondContact O-CB 3.48Å; T797-M800 PolarHBondContact O-N 3.2Å; T797-M800 VanDerWaalsContact O-N 3.09Å; T797-M800 VanDerWaalsContact OG1-CG 3.28Å; T797-M800 WeakPolarHBondContact OG1-CG 3.4Å; T797-M800 PolarHBondContact OG1-N 3.11Å; T797-M800 PolarHBondContact OG1-SD 3.01Å; T798-M800 VanDerWaalsContact C-N 3.33Å; T798-M800 PolarHBondContact O-N 3.29Å; M800-Q802 VanDerWaalsContact C-N 3.31Å; M800-Q802 PolarHBondContact O-N 3.25Å; M800-Q803 PolarHBondContact O-N 3.16Å; M800-L804 WeakPolarHBondContact O-CB 3.44Å; M800-L804 WeakPolarHBondContact O-CG 3.4Å; M800-L804 PolarHBondContact O-N 3.42Å; M800-L864 HydrophobicContact CE-CB 4.13Å; M800-L864 HydrophobicContact CE-CD1 3.53Å; M800-L864 HydrophobicContact CE-CG 4.29Å; M800-I866 HydrophobicContact CE-CD1 4.48Å |
| 801 | I | 82.6 | Confident | 68.4 | Low | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.9 | -62.4 | 168.1 | 0 | 0 | 0 | 110.1 | I796 T797 T798 Q803 L804 H805 I851 Y853 I856 L859 N871 L872 L875 | I796-I801 HydrophobicContact CG2-CD1 4.12Å; I796-I801 HydrophobicContact CG2-CG1 4.15Å; T797-I801 PolarHBondContact O-N 2.72Å; T797-I801 VanDerWaalsContact O-N 3.11Å; T798-I801 PolarHBondContact O-N 3.46Å; I801-Q803 PolarHBondContact O-N 3.26Å; I801-L804 PolarHBondContact O-N 3.03Å; I801-H805 WeakPolarHBondContact O-CB 3.43Å; I801-H805 PolarHBondContact O-N 3.35Å; I801-H805 PolarHBondContact O-ND1 2.95Å; I801-I851 HydrophobicContact CG2-CD1 4.5Å; I801-Y853 HydrophobicContact CG2-CE1 4.44Å; I801-I856 HydrophobicContact CG2-CD1 3.79Å; I801-L859 HydrophobicContact CG1-CD2 4.35Å; I801-N871 WeakPolarHBondContact CD1-O 3.15Å; I801-L872 HydrophobicContact CD1-CD2 4.29Å; I801-L875 HydrophobicContact CD1-CD1 4.43Å; I801-L875 HydrophobicContact CG2-CD2 4.39Å |
| 802 | Q | 75.1 | Confident | 66.3 | Low | 67 Ų | 67 | 64.3 Ų | 64.3 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.2 | -39.2 | 175.2 | -74.5 | 179.7 | -4.6 | 0 | 0 | 113 | T798 N799 M800 H805 I851 | T798-Q802 WeakPolarHBondContact O-CG 3.14Å; T798-Q802 PolarHBondContact O-N 3.35Å; N799-Q802 WeakPolarHBondContact O-CB 3.43Å; N799-Q802 PolarHBondContact O-N 3.02Å; M800-Q802 VanDerWaalsContact C-N 3.31Å; M800-Q802 PolarHBondContact O-N 3.25Å; Q802-H805 PolarHBondContact O-CE1 2.82Å; Q802-H805 PolarHBondContact O-ND1 3.16Å; Q802-I851 HydrophobicContact CB-CD1 4.16Å; Q802-I851 HydrophobicContact CB-CG1 4.39Å; Q802-I851 HydrophobicContact CG-CD1 3.02Å; Q802-I851 HydrophobicContact CG-CG1 3.24Å |
| 803 | Q | 71.9 | Confident | 64.3 | Low | 153 Ų | 153 | 66.7 Ų | 66.7 | 72% | 0.715 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -86.5 | -28.4 | -173.9 | -69.8 | 176.5 | -8.5 | 0 | 0 | 113.7 | N799 M800 I801 | N799-Q803 WeakPolarHBondContact O-CG 3.39Å; N799-Q803 PolarHBondContact O-N 3.29Å; M800-Q803 PolarHBondContact O-N 3.16Å; I801-Q803 PolarHBondContact O-N 3.26Å |
| 804 | L | 73.1 | Confident | 62.1 | Low | 31 Ų | 31 | 68.8 Ų | 68.8 | 16% | 0.162 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -112.4 | 0.2 | -166.2 | -60.4 | 173.2 | 0 | 0 | 0 | 114.4 | M800 I801 L859 L861 L864 | M800-L804 WeakPolarHBondContact O-CB 3.44Å; M800-L804 WeakPolarHBondContact O-CG 3.4Å; M800-L804 PolarHBondContact O-N 3.42Å; I801-L804 PolarHBondContact O-N 3.03Å; L804-L859 HydrophobicContact CB-CD1 4.42Å; L804-L861 HydrophobicContact CD1-CD2 3.76Å; L804-L864 HydrophobicContact CD1-CD1 3.75Å |
| 805 | H | 72.7 | Confident | 59.8 | Low | 54 Ų | 54 | 74.3 Ų | 74.3 | 25% | 0.25 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 151.4 | -179.8 | 73 | -78.6 | 0 | 0 | 0 | 112.7 | I801 Q802 I856 L859 | I801-H805 WeakPolarHBondContact O-CB 3.43Å; I801-H805 PolarHBondContact O-N 3.35Å; I801-H805 PolarHBondContact O-ND1 2.95Å; Q802-H805 PolarHBondContact O-CE1 2.82Å; Q802-H805 PolarHBondContact O-ND1 3.16Å; H805-I856 HydrophobicContact CB-CD1 3.67Å; H805-I856 HydrophobicContact CB-CG1 3.91Å; H805-I856 HydrophobicContact CB-CG2 3.92Å; H805-L859 HydrophobicContact CB-CD1 4.33Å |
| 806 | I | 62.3 | Low | 57.3 | Low | 42 Ų | 42 | 80.2 Ų | 80.2 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.5 | 169.5 | -65.9 | 172.1 | 0 | 0 | 0 | 108.7 | H832 Q833 S858 | I806-H832 HydrophobicContact CD1-CB 3.7Å; I806-H832 WeakPolarHBondContact CD1-O 3.49Å; I806-Q833 HydrophobicContact CD1-CB 4.49Å; I806-S858 PolarHBondContact N-O 3.25Å |
| 807 | T | 59.1 | Low | 54.8 | Low | 40 Ų | 40 | 85.4 Ų | 85.4 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.6 | 174.8 | 57.4 | 0 | 0 | 0 | 0 | 108.9 | T809 S855 | T807-T809 PolarHBondContact O-N 3.44Å; T807-S855 VanDerWaalsContact CG2-OG 3.25Å; T807-S855 WeakPolarHBondContact CG2-OG 2.96Å |
| 808 | T | 50.4 | Low | 52.7 | Low | 40 Ų | 40 | 88.1 Ų | 88.1 | 25% | 0.245 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -72.4 | -5.8 | 175.7 | 41.1 | 0 | 0 | 0 | 0 | 112.8 | N810 N811 I812 T857 | T808-N810 PolarHBondContact O-N 3.11Å; T808-N811 PolarHBondContact O-N 2.95Å; T808-I812 WeakPolarHBondContact O-CG1 3.44Å; T808-T857 WeakPolarHBondContact CB-OG1 3.41Å; T808-T857 WeakPolarHBondContact CG2-OG1 3.48Å; T808-T857 WeakPolarHBondContact OG1-CB 2.91Å; T808-T857 WeakPolarHBondContact OG1-CG2 3.44Å; T808-T857 PolarHBondContact OG1-OG1 2.58Å |
| 809 | T | 39.7 | Very low | 50.7 | Low | 80 Ų | 80 | 90 Ų | 90 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -61.9 | -24.6 | -177.2 | 45.7 | 0 | 0 | 0 | 0 | 114.4 | T807 N811 | T807-T809 PolarHBondContact O-N 3.44Å; T809-N811 PolarHBondContact O-N 2.98Å |
| 810 | N | 37.2 | Very low | 49.4 | Very low | 138 Ų | 138 | 88.2 Ų | 88.2 | 74% | 0.738 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -80.1 | -13.1 | -176.5 | -76.5 | -6.7 | 0 | 0 | 0 | 115 | T808 | T808-N810 PolarHBondContact O-N 3.11Š|
| 811 | N | 37.9 | Very low | 48.5 | Very low | 158 Ų | 158 | 92.4 Ų | 92.4 | 85% | 0.845 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -2.4 | 179.8 | -73.6 | -14.8 | 0 | 0 | 0 | 114.3 | T808 T809 | T808-N811 PolarHBondContact O-N 2.95Å; T809-N811 PolarHBondContact O-N 2.98Å |
| 812 | I | 30.2 | Very low | 47.8 | Very low | 96 Ų | 96 | 93.3 Ų | 93.3 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | trans | -119.9 | 61.1 | -172 | -47.3 | 172.3 | 0 | 0 | 0 | 110.4 | T808 N814 | T808-I812 WeakPolarHBondContact O-CG1 3.44Å; I812-N814 VanDerWaalsContact C-N 3.27Å | ||
| 813 | I | 26.6 | Very low | 48.1 | Very low | 159 Ų | 159 | 90.2 Ų | 90.2 | 82% | 0.815 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -79.8 | -13.3 | 156.7 | -69.5 | -179.5 | 0 | 0 | 0 | 110.9 | ||
| 814 | N | 27.2 | Very low | 48.8 | Very low | 92 Ų | 92 | 83 Ų | 83 | 49% | 0.492 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -125.9 | 110.9 | 179.4 | -71.2 | -21 | 0 | 0 | 0 | 113.5 | P187 I812 | P187-N814 PolarHBondContact O-ND2 3.28Å; I812-N814 VanDerWaalsContact C-N 3.27Å |
| 815 | N | 28.4 | Very low | 49.5 | Very low | 125 Ų | 125 | 82 Ų | 82 | 67% | 0.668 | 43% | 0.432 | S | S | * | . | trans | 89.7 | 118.1 | 151.6 | -59 | -31 | 0 | 0 | 0 | 120.5 | N817 | N815-N817 PolarHBondContact O-N 2.82Š| ||
| 816 | N | 30.2 | Very low | 50.3 | Low | 172 Ų | 172 | 80.7 Ų | 80.7 | 92% | 0.92 | 43% | 0.425 | S | S | * | . | trans | -61.8 | 30.6 | 179 | -77.1 | -31.2 | 0 | 0 | 0 | 117.3 | ||||
| 817 | N | 32.2 | Very low | 51.6 | Low | 108 Ų | 108 | 79.1 Ų | 79.1 | 58% | 0.578 | 42% | 0.417 | S | S | * | . | trans | -113.3 | 109.9 | 174.7 | -66.2 | -29.5 | 0 | 0 | 0 | 108.8 | N815 F819 | N815-N817 PolarHBondContact O-N 2.82Å; N817-F819 HydrophobicContact CB-CD2 3.42Å; N817-F819 VanDerWaalsContact CB-CD2 3.42Å; N817-F819 HydrophobicContact CB-CE2 3.57Å; N817-F819 PolarHBondContact O-N 2.92Å | ||
| 818 | D | 37.2 | Very low | 53 | Low | 108 Ų | 108 | 77.6 Ų | 77.6 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | trans | -59.3 | 55.8 | 165 | -89.7 | -31 | 0 | 0 | 0 | 110.5 | D820 K879 | D818-D820 PolarHBondContact O-N 2.71Å; D818-K879 IonicContact OD1-NZ 2.77Å; D818-K879 PolarHBondContact OD1-NZ 2.84Å; D818-K879 IonicContact OD2-NZ 3.77Å; D818-K879 PolarHBondContact OD2-NZ 3.38Å | ||
| 819 | F | 37 | Very low | 54.8 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | trans | -70.4 | 121.9 | 165.2 | -83.1 | -68.8 | 0 | 0 | 0 | 106.7 | N240 N817 Q821 | N240-F819 VanDerWaalsContact CG-CE1 3.48Å; N240-F819 WeakPolarHBondContact ND2-CE1 3.41Å; N240-F819 WeakPolarHBondContact ND2-CZ 3.46Å; N817-F819 HydrophobicContact CB-CD2 3.42Å; N817-F819 VanDerWaalsContact CB-CD2 3.42Å; N817-F819 HydrophobicContact CB-CE2 3.57Å; N817-F819 PolarHBondContact O-N 2.92Å; F819-Q821 HydrophobicContact CB-CG 4.32Å; F819-Q821 WeakPolarHBondContact O-CG 3.31Å; F819-Q821 PolarHBondContact O-N 2.91Å | ||
| 820 | D | 48.7 | Very low | 56.9 | Low | 66 Ų | 66 | 74.8 Ų | 74.8 | 35% | 0.353 | 38% | 0.384 | S | S | . | . | trans | -59.3 | 69.2 | 173.1 | -167 | 30 | 0 | 0 | 0 | 110.7 | K247 D818 N822 I828 | K247-D820 VanDerWaalsContact NZ-CG 3.33Å; K247-D820 PolarHBondContact NZ-O 2.94Å; K247-D820 IonicContact NZ-OD1 2.69Å; K247-D820 IonicContact NZ-OD2 3.61Å; K247-D820 PolarHBondContact NZ-OD2 2.85Å; D818-D820 PolarHBondContact O-N 2.71Å; D820-N822 PolarHBondContact O-N 2.82Å; D820-N822 VanDerWaalsContact O-N 3.12Å; D820-I828 WeakPolarHBondContact OD1-CD1 3.31Å | ||
| 821 | Q | 58.2 | Low | 58.9 | Low | 110 Ų | 110 | 69.7 Ų | 69.7 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | trans | -73.6 | 9.4 | -168.5 | -83.3 | -178.4 | 9.2 | 0 | 0 | 114.9 | Y217 F819 | Y217-Q821 WeakPolarHBondContact OH-CA 3.33Å; Y217-Q821 PolarHBondContact OH-O 3.1Å; F819-Q821 HydrophobicContact CB-CG 4.32Å; F819-Q821 WeakPolarHBondContact O-CG 3.31Å; F819-Q821 PolarHBondContact O-N 2.91Å | ||
| 822 | N | 69.5 | Low | 60.8 | Low | 20 Ų | 20 | 64 Ų | 64 | 11% | 0.107 | 32% | 0.324 | C | S | . | . | trans | -104.3 | 114.1 | 176 | -56.3 | -48.6 | 0 | 0 | 0 | 111 | Y217 K247 D820 T824 I828 Y831 H832 | Y217-N822 WeakPolarHBondContact OH-CA 3.38Å; Y217-N822 PolarHBondContact OH-N 2.8Å; K247-N822 WeakPolarHBondContact CE-O 3.41Å; K247-N822 PolarHBondContact NZ-O 3.33Å; D820-N822 PolarHBondContact O-N 2.82Å; D820-N822 VanDerWaalsContact O-N 3.12Å; N822-T824 HydrophobicContact CB-CG2 3.83Å; N822-T824 PolarHBondContact O-N 3.41Å; N822-I828 WeakPolarHBondContact ND2-CG2 3.28Å; N822-Y831 HydrophobicContact CB-CD1 3.72Å; N822-Y831 HydrophobicContact CB-CE1 3.78Å; N822-Y831 WeakPolarHBondContact OD1-CE1 3.43Å; N822-H832 PolarHBondContact ND2-CE1 2.99Å; N822-H832 PolarHBondContact ND2-NE2 3.49Å; N822-H832 PolarHBondContact OD1-CE1 3.23Å; N822-H832 VanDerWaalsContact OD1-CE1 3.29Å | ||
| 823 | L | 79.9 | Confident | 62.8 | Low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | trans | -81.3 | 76.8 | 173 | -78 | -177.7 | 0 | 0 | 0 | 106.9 | Y217 Y218 I243 K247 L364 Q365 F367 | Y217-L823 HydrophobicContact CD1-CD1 3.9Å; Y217-L823 HydrophobicContact CD1-CG 3.97Å; Y217-L823 HydrophobicContact CD2-CD2 4.37Å; Y217-L823 HydrophobicContact CE1-CB 4.35Å; Y217-L823 HydrophobicContact CE1-CD1 3.82Å; Y217-L823 HydrophobicContact CE1-CD2 4.12Å; Y217-L823 HydrophobicContact CE1-CG 3.42Å; Y217-L823 VanDerWaalsContact CE1-CG 3.42Å; Y217-L823 HydrophobicContact CE2-CD2 3.79Å; Y217-L823 HydrophobicContact CE2-CG 4.04Å; Y217-L823 HydrophobicContact CG-CD1 4.48Å; Y217-L823 WeakPolarHBondContact OH-CG 3.46Å; Y217-L823 PolarHBondContact OH-N 3.33Å; Y218-L823 HydrophobicContact CE2-CD1 4.1Å; I243-L823 HydrophobicContact CG2-CD2 3.85Å; K247-L823 HydrophobicContact CG-CD2 4.43Å; L364-L823 HydrophobicContact CD1-CD2 4.35Å; L364-L823 HydrophobicContact CG-CB 4.29Å; Q365-L823 HydrophobicContact CG-CB 4.28Å; F367-L823 HydrophobicContact CD2-CD1 3.7Å; F367-L823 HydrophobicContact CE2-CD1 3.46Å; F367-L823 VanDerWaalsContact CE2-CD1 3.46Å; F367-L823 HydrophobicContact CE2-CD2 3.57Å; F367-L823 HydrophobicContact CE2-CG 4.12Å; F367-L823 HydrophobicContact CZ-CD2 4.19Å | ||
| 824 | T | 86.7 | Confident | 64.8 | Low | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | trans | -139.9 | 145.1 | -176.4 | -164.8 | 0 | 0 | 0 | 0 | 113 | E361 N822 F826 Y831 | E361-T824 VanDerWaalsContact CD-OG1 3.31Å; E361-T824 VanDerWaalsContact OE1-CA 3.27Å; E361-T824 WeakPolarHBondContact OE1-CA 3.13Å; E361-T824 WeakPolarHBondContact OE1-CB 3.43Å; E361-T824 PolarHBondContact OE1-OG1 3.2Å; E361-T824 WeakPolarHBondContact OE2-CA 3.37Å; E361-T824 PolarHBondContact OE2-OG1 3.21Å; N822-T824 HydrophobicContact CB-CG2 3.83Å; N822-T824 PolarHBondContact O-N 3.41Å; T824-F826 WeakPolarHBondContact CG2-O 3.45Å; T824-F826 WeakPolarHBondContact OG1-CD2 3.32Å; T824-F826 PolarHBondContact OG1-N 3.13Å; T824-F826 VanDerWaalsContact OG1-N 3.12Å; T824-Y831 VanDerWaalsContact CB-CD2 3.46Å; T824-Y831 HydrophobicContact CG2-CD1 4.33Å; T824-Y831 HydrophobicContact CG2-CD2 3.96Å; T824-Y831 HydrophobicContact CG2-CG 3.82Å; T824-Y831 VanDerWaalsContact OG1-CD2 3.29Å; T824-Y831 WeakPolarHBondContact OG1-CD2 3.48Å | ||
| 825 | I | 89.3 | Confident | 66.5 | Low | 11 Ų | 11 | 53.6 Ų | 53.6 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -85.3 | -15.8 | 166.2 | 67.2 | 179.5 | 0 | 0 | 0 | 111.9 | N254 Q357 E361 L364 | N254-I825 HydrophobicContact CB-CD1 3.91Å; Q357-I825 HydrophobicContact CB-CD1 4.38Å; Q357-I825 WeakPolarHBondContact O-CD1 3.15Å; E361-I825 WeakPolarHBondContact OE2-CG1 3.26Å; E361-I825 PolarHBondContact OE2-N 3.01Å; L364-I825 HydrophobicContact CD2-CG2 3.99Å |
| 826 | F | 88.4 | Confident | 68 | Low | 25 Ų | 25 | 49.4 Ų | 49.4 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -82.6 | 162.3 | -178.5 | -61.9 | -67.3 | 0 | 0 | 0 | 112.3 | Q357 F358 E361 T824 I828 Y830 | Q357-F826 HydrophobicContact CB-CE1 4.17Å; Q357-F826 HydrophobicContact CB-CZ 3.97Å; F358-F826 HydrophobicContact CE1-CZ 4.5Å; E361-F826 HydrophobicContact CB-CE2 4.17Å; E361-F826 HydrophobicContact CG-CD2 4.45Å; E361-F826 HydrophobicContact CG-CE2 4.08Å; T824-F826 WeakPolarHBondContact CG2-O 3.45Å; T824-F826 WeakPolarHBondContact OG1-CD2 3.32Å; T824-F826 PolarHBondContact OG1-N 3.13Å; T824-F826 VanDerWaalsContact OG1-N 3.12Å; F826-I828 PolarHBondContact O-N 3.03Å; F826-Y830 HydrophobicContact CB-CD1 3.85Å; F826-Y830 HydrophobicContact CB-CE1 4.44Å; F826-Y830 HydrophobicContact CD1-CD1 4.34Å; F826-Y830 HydrophobicContact CD1-CE1 4.22Å; F826-Y830 HydrophobicContact CD2-CE1 4.49Å; F826-Y830 HydrophobicContact CG-CD1 4.06Å; F826-Y830 HydrophobicContact CG-CE1 4.14Å |
| 827 | P | 90 | Very high | 69 | Low | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | trans | -53.9 | 134.2 | 167.8 | -25.2 | 34.4 | 0 | 0 | 0 | 111.1 | A829 Y830 Y831 E902 S904 L926 | P827-A829 VanDerWaalsContact C-N 3.25Å; P827-A829 PolarHBondContact O-N 2.79Å; P827-Y830 WeakPolarHBondContact O-CB 3.35Å; P827-Y830 PolarHBondContact O-N 3.01Å; P827-Y831 PolarHBondContact O-N 3.45Å; P827-E902 VanDerWaalsContact CA-OE1 3.23Å; P827-E902 WeakPolarHBondContact CA-OE1 3.35Å; P827-S904 WeakPolarHBondContact CG-OG 3.43Å; P827-L926 HydrophobicContact CG-CD1 4.14Å | ||
| 828 | I | 88.7 | Confident | 69.5 | Low | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.046 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | -174.3 | -71.6 | 167.6 | 0 | 0 | 0 | 111.1 | D820 N822 F826 Y830 Y831 H832 Y880 E902 | D820-I828 WeakPolarHBondContact OD1-CD1 3.31Å; N822-I828 WeakPolarHBondContact ND2-CG2 3.28Å; F826-I828 PolarHBondContact O-N 3.03Å; I828-Y830 VanDerWaalsContact C-N 3.31Å; I828-Y830 PolarHBondContact O-N 3.4Å; I828-Y831 PolarHBondContact O-N 2.89Å; I828-H832 VanDerWaalsContact CG2-CD2 3.49Å; I828-H832 WeakPolarHBondContact CG2-CD2 3.4Å; I828-H832 WeakPolarHBondContact CG2-NE2 3.31Å; I828-H832 PolarHBondContact O-CD2 2.91Å; I828-H832 PolarHBondContact O-N 3.09Å; I828-Y880 HydrophobicContact CB-CD1 3.85Å; I828-Y880 HydrophobicContact CB-CE1 4.31Å; I828-Y880 HydrophobicContact CB-CG 3.97Å; I828-Y880 HydrophobicContact CD1-CD1 3.71Å; I828-Y880 HydrophobicContact CD1-CE1 3.42Å; I828-Y880 VanDerWaalsContact CD1-CE1 3.42Å; I828-Y880 HydrophobicContact CG1-CD1 4.39Å; I828-Y880 HydrophobicContact CG1-CE1 4.46Å; I828-Y880 HydrophobicContact CG2-CD1 3.73Å; I828-Y880 HydrophobicContact CG2-CD2 3.58Å; I828-Y880 HydrophobicContact CG2-CE1 4.02Å; I828-Y880 HydrophobicContact CG2-CE2 3.87Å; I828-Y880 HydrophobicContact CG2-CG 3.5Å; I828-E902 PolarHBondContact N-OE1 3Å |
| 829 | A | 87 | Confident | 69.7 | Low | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P827 Q833 S858 L859 C860 | P827-A829 VanDerWaalsContact C-N 3.25Å; P827-A829 PolarHBondContact O-N 2.79Å; A829-Q833 PolarHBondContact O-N 3.21Å; A829-S858 VanDerWaalsContact CA-OG 3.3Å; A829-S858 WeakPolarHBondContact CA-OG 3.5Å; A829-S858 WeakPolarHBondContact CB-OG 3.46Å; A829-L859 WeakPolarHBondContact CB-O 3.42Å; A829-C860 HydrophobicContact CB-CB 4.23Å |
| 830 | Y | 83.9 | Confident | 69.7 | Low | 60 Ų | 60 | 48 Ų | 48 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 174.3 | 173.3 | -102 | 0 | 0 | 0 | 111.2 | F826 P827 I828 H832 Q833 Y834 | F826-Y830 HydrophobicContact CB-CD1 3.85Å; F826-Y830 HydrophobicContact CB-CE1 4.44Å; F826-Y830 HydrophobicContact CD1-CD1 4.34Å; F826-Y830 HydrophobicContact CD1-CE1 4.22Å; F826-Y830 HydrophobicContact CD2-CE1 4.49Å; F826-Y830 HydrophobicContact CG-CD1 4.06Å; F826-Y830 HydrophobicContact CG-CE1 4.14Å; P827-Y830 WeakPolarHBondContact O-CB 3.35Å; P827-Y830 PolarHBondContact O-N 3.01Å; I828-Y830 VanDerWaalsContact C-N 3.31Å; I828-Y830 PolarHBondContact O-N 3.4Å; Y830-H832 VanDerWaalsContact C-N 3.33Å; Y830-H832 PolarHBondContact O-N 3.33Å; Y830-Q833 PolarHBondContact O-N 3.37Å; Y830-Q833 VanDerWaalsContact O-N 3.17Å; Y830-Y834 WeakPolarHBondContact O-CB 3.21Å; Y830-Y834 PolarHBondContact O-N 2.95Å |
| 831 | Y | 80.4 | Confident | 68.9 | Low | 31 Ų | 31 | 51.1 Ų | 51.1 | 12% | 0.122 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 177.6 | -179.1 | -99 | 0 | 0 | 0 | 112.8 | E361 N822 T824 P827 I828 Y834 N835 | E361-Y831 WeakPolarHBondContact OE1-CE2 3.33Å; N822-Y831 HydrophobicContact CB-CD1 3.72Å; N822-Y831 HydrophobicContact CB-CE1 3.78Å; N822-Y831 WeakPolarHBondContact OD1-CE1 3.43Å; T824-Y831 VanDerWaalsContact CB-CD2 3.46Å; T824-Y831 HydrophobicContact CG2-CD1 4.33Å; T824-Y831 HydrophobicContact CG2-CD2 3.96Å; T824-Y831 HydrophobicContact CG2-CG 3.82Å; T824-Y831 VanDerWaalsContact OG1-CD2 3.29Å; T824-Y831 WeakPolarHBondContact OG1-CD2 3.48Å; P827-Y831 PolarHBondContact O-N 3.45Å; I828-Y831 PolarHBondContact O-N 2.89Å; Y831-Y834 PolarHBondContact O-N 3.31Å; Y831-N835 WeakPolarHBondContact CD1-ND2 3.37Å; Y831-N835 WeakPolarHBondContact CD2-ND2 3.41Å; Y831-N835 WeakPolarHBondContact CE1-ND2 3.41Å; Y831-N835 WeakPolarHBondContact CE2-ND2 3.19Å; Y831-N835 PolarHBondContact O-N 2.96Å; Y831-N835 PolarHBondContact O-ND2 3.28Å; Y831-N835 VanDerWaalsContact O-ND2 3.1Å |
| 832 | H | 76.6 | Confident | 67.8 | Low | 39 Ų | 39 | 50.2 Ų | 50.2 | 18% | 0.181 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 175.3 | -75.6 | -39.9 | 0 | 0 | 0 | 111.9 | I806 N822 I828 Y830 S836 | I806-H832 HydrophobicContact CD1-CB 3.7Å; I806-H832 WeakPolarHBondContact CD1-O 3.49Å; N822-H832 PolarHBondContact ND2-CE1 2.99Å; N822-H832 PolarHBondContact ND2-NE2 3.49Å; N822-H832 PolarHBondContact OD1-CE1 3.23Å; N822-H832 VanDerWaalsContact OD1-CE1 3.29Å; I828-H832 VanDerWaalsContact CG2-CD2 3.49Å; I828-H832 WeakPolarHBondContact CG2-CD2 3.4Å; I828-H832 WeakPolarHBondContact CG2-NE2 3.31Å; I828-H832 PolarHBondContact O-CD2 2.91Å; I828-H832 PolarHBondContact O-N 3.09Å; Y830-H832 VanDerWaalsContact C-N 3.33Å; Y830-H832 PolarHBondContact O-N 3.33Å; H832-S836 WeakPolarHBondContact O-CB 3.4Å; H832-S836 PolarHBondContact O-N 2.95Å; H832-S836 VanDerWaalsContact O-N 3.08Å |
| 833 | Q | 73.7 | Confident | 66.2 | Low | 34 Ų | 34 | 59.6 Ų | 59.6 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 177.1 | -172.7 | -177.5 | 5.7 | 0 | 0 | 111 | I806 A829 Y830 N835 S836 Y837 C860 | I806-Q833 HydrophobicContact CD1-CB 4.49Å; A829-Q833 PolarHBondContact O-N 3.21Å; Y830-Q833 PolarHBondContact O-N 3.37Å; Y830-Q833 VanDerWaalsContact O-N 3.17Å; Q833-N835 PolarHBondContact O-N 3.27Å; Q833-S836 PolarHBondContact O-N 2.84Å; Q833-S836 PolarHBondContact O-OG 3.05Å; Q833-Y837 HydrophobicContact CG-CD2 4.37Å; Q833-Y837 HydrophobicContact CG-CE2 3.81Å; Q833-Y837 VanDerWaalsContact O-CD2 3.24Å; Q833-Y837 WeakPolarHBondContact O-CD2 3.46Å; Q833-Y837 PolarHBondContact O-N 3.07Å; Q833-C860 HydrophobicContact CB-CB 4.19Å; Q833-C860 PolarHBondContact OE1-SG 3.19Å |
| 834 | Y | 67.3 | Low | 64.2 | Low | 50 Ų | 50 | 66.1 Ų | 66.1 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.3 | -48.5 | -179.3 | -174.8 | -102.6 | 0 | 0 | 0 | 112.7 | N456 Y830 Y831 S836 Y837 | N456-Y834 VanDerWaalsContact ND2-CZ 3.34Å; N456-Y834 PolarHBondContact ND2-OH 3.35Å; N456-Y834 WeakPolarHBondContact OD1-CE1 3.39Å; N456-Y834 PolarHBondContact OD1-OH 3.42Å; Y830-Y834 WeakPolarHBondContact O-CB 3.21Å; Y830-Y834 PolarHBondContact O-N 2.95Å; Y831-Y834 PolarHBondContact O-N 3.31Å; Y834-S836 VanDerWaalsContact C-N 3.35Å; Y834-S836 PolarHBondContact O-N 2.98Å; Y834-Y837 PolarHBondContact O-N 3.02Å |
| 835 | N | 62.2 | Low | 61.7 | Low | 44 Ų | 44 | 72.1 Ų | 72.1 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73.3 | -25.5 | -179.4 | -73.1 | -50.8 | 0 | 0 | 0 | 113.8 | Y831 Q833 Y837 N838 I839 | Y831-N835 WeakPolarHBondContact CD1-ND2 3.37Å; Y831-N835 WeakPolarHBondContact CD2-ND2 3.41Å; Y831-N835 WeakPolarHBondContact CE1-ND2 3.41Å; Y831-N835 WeakPolarHBondContact CE2-ND2 3.19Å; Y831-N835 PolarHBondContact O-N 2.96Å; Y831-N835 PolarHBondContact O-ND2 3.28Å; Y831-N835 VanDerWaalsContact O-ND2 3.1Å; Q833-N835 PolarHBondContact O-N 3.27Å; N835-Y837 VanDerWaalsContact C-N 3.27Å; N835-Y837 PolarHBondContact O-N 3.19Å; N835-N838 PolarHBondContact O-N 2.68Å; N835-N838 VanDerWaalsContact O-N 3.14Å; N835-I839 PolarHBondContact O-N 3.46Å |
| 836 | S | 60.3 | Low | 59.3 | Low | 37 Ų | 37 | 78 Ų | 78 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 175.4 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | H832 Q833 Y834 N838 I839 | H832-S836 WeakPolarHBondContact O-CB 3.4Å; H832-S836 PolarHBondContact O-N 2.95Å; H832-S836 VanDerWaalsContact O-N 3.08Å; Q833-S836 PolarHBondContact O-N 2.84Å; Q833-S836 PolarHBondContact O-OG 3.05Å; Y834-S836 VanDerWaalsContact C-N 3.35Å; Y834-S836 PolarHBondContact O-N 2.98Å; S836-N838 VanDerWaalsContact C-N 3.3Å; S836-N838 PolarHBondContact O-N 3.32Å; S836-I839 PolarHBondContact O-N 3.01Å |
| 837 | Y | 52.8 | Low | 57 | Low | 113 Ų | 113 | 84.2 Ų | 84.2 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.5 | -27.8 | 174 | -75.4 | -72 | 0 | 0 | 0 | 113.1 | Q833 Y834 N835 | Q833-Y837 HydrophobicContact CG-CD2 4.37Å; Q833-Y837 HydrophobicContact CG-CE2 3.81Å; Q833-Y837 VanDerWaalsContact O-CD2 3.24Å; Q833-Y837 WeakPolarHBondContact O-CD2 3.46Å; Q833-Y837 PolarHBondContact O-N 3.07Å; Y834-Y837 PolarHBondContact O-N 3.02Å; N835-Y837 VanDerWaalsContact C-N 3.27Å; N835-Y837 PolarHBondContact O-N 3.19Å |
| 838 | N | 42.7 | Very low | 54.7 | Low | 81 Ų | 81 | 88.8 Ų | 88.8 | 43% | 0.433 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -78.9 | -25.3 | 180 | -74.9 | -26.2 | 0 | 0 | 0 | 113.3 | N456 N835 S836 N840 | N456-N838 PolarHBondContact ND2-OD1 3.03Å; N835-N838 PolarHBondContact O-N 2.68Å; N835-N838 VanDerWaalsContact O-N 3.14Å; S836-N838 VanDerWaalsContact C-N 3.3Å; S836-N838 PolarHBondContact O-N 3.32Å; N838-N840 PolarHBondContact O-N 3.1Å |
| 839 | I | 40.2 | Very low | 53.1 | Low | 132 Ų | 132 | 95.4 Ų | 95.4 | 68% | 0.677 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -91.1 | 90.2 | 178.4 | -57.7 | 170.4 | 0 | 0 | 0 | 107.8 | N835 S836 | N835-I839 PolarHBondContact O-N 3.46Å; S836-I839 PolarHBondContact O-N 3.01Å |
| 840 | N | 36.6 | Very low | 52 | Low | 133 Ų | 133 | 102.3 Ų | 102.3 | 71% | 0.711 | 52% | 0.523 | S | S | * | . | trans | 20.8 | 106.5 | 167.9 | -79.5 | -31.5 | 0 | 0 | 0 | 116 | N838 S842 | N838-N840 PolarHBondContact O-N 3.1Å; N840-S842 PolarHBondContact O-N 3.38Å | ||
| 841 | Q | 32.8 | Very low | 51.2 | Low | 132 Ų | 132 | 100.9 Ų | 100.9 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -52 | -0.1 | 174.6 | -75.1 | 179.5 | -20.5 | 0 | 0 | 116.4 | Y843 | Q841-Y843 VanDerWaalsContact C-N 3.26Å; Q841-Y843 PolarHBondContact O-N 2.86Å |
| 842 | S | 34.3 | Very low | 51.2 | Low | 91 Ų | 91 | 104 Ų | 104 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -71 | -10.8 | -175.5 | 54.1 | 0 | 0 | 0 | 0 | 115.2 | N840 | N840-S842 PolarHBondContact O-N 3.38Š|
| 843 | Y | 36.8 | Very low | 51.4 | Low | 216 Ų | 216 | 104.3 Ų | 104.3 | 85% | 0.847 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -110.1 | -1.1 | -176.8 | -84.9 | -79.2 | 0 | 0 | 0 | 116.7 | Q841 | Q841-Y843 VanDerWaalsContact C-N 3.26Å; Q841-Y843 PolarHBondContact O-N 2.86Å |
| 844 | I | 37.7 | Very low | 51.9 | Low | 138 Ų | 138 | 109.7 Ų | 109.7 | 71% | 0.708 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -95.9 | -6.4 | -177.2 | -61.4 | 178.7 | 0 | 0 | 0 | 113.2 | ||
| 845 | I | 34.1 | Very low | 52.5 | Low | 128 Ų | 128 | 108.3 Ų | 108.3 | 66% | 0.656 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -100.6 | 118.1 | -174.7 | -52.4 | 179.2 | 0 | 0 | 0 | 110.7 | ||
| 846 | N | 38.5 | Very low | 53.5 | Low | 136 Ų | 136 | 106.2 Ų | 106.2 | 73% | 0.727 | 54% | 0.544 | S | S | * | . | trans | 91.5 | 97.5 | 171.7 | -51.6 | -36.2 | 0 | 0 | 0 | 115.2 | ||||
| 847 | N | 39.7 | Very low | 54.9 | Low | 154 Ų | 154 | 105.2 Ų | 105.2 | 82% | 0.824 | 54% | 0.536 | S | S | * | . | -174.7 | 115.7 | 124.2 | -86.4 | -23 | 0 | 0 | 0 | 112.5 | |||||
| 848 | S | 43.4 | Very low | 56.6 | Low | 105 Ų | 105 | 99.9 Ų | 99.9 | 73% | 0.734 | 52% | 0.516 | S | S | * | . | trans | 62.3 | 129 | 155.4 | 63.9 | 0 | 0 | 0 | 0 | 121 | N850 | S848-N850 PolarHBondContact O-N 3.02Š| ||
| 849 | N | 55.1 | Low | 58.9 | Low | 149 Ų | 149 | 96 Ų | 96 | 80% | 0.797 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -61.5 | 9.5 | -177.6 | -70.9 | -18 | 0 | 0 | 0 | 117.6 | ||
| 850 | N | 62.8 | Low | 61.2 | Low | 146 Ų | 146 | 89.9 Ų | 89.9 | 78% | 0.781 | 46% | 0.463 | S | S | * | . | trans | -110.1 | 98.9 | -179.3 | -81.6 | -6 | 0 | 0 | 0 | 110.8 | S848 N852 | S848-N850 PolarHBondContact O-N 3.02Å; N850-N852 PolarHBondContact O-N 3.2Å | ||
| 851 | I | 68.4 | Low | 63.7 | Low | 30 Ų | 30 | 83.5 Ų | 83.5 | 15% | 0.154 | 43% | 0.43 | C | S | . | . | trans | -62.6 | 126 | 167.1 | -51.5 | 166.8 | 0 | 0 | 0 | 108.2 | T798 I801 Q802 Y853 I856 | T798-I851 HydrophobicContact CG2-CD1 3.97Å; I801-I851 HydrophobicContact CG2-CD1 4.5Å; Q802-I851 HydrophobicContact CB-CD1 4.16Å; Q802-I851 HydrophobicContact CB-CG1 4.39Å; Q802-I851 HydrophobicContact CG-CD1 3.02Å; Q802-I851 HydrophobicContact CG-CG1 3.24Å; I851-Y853 HydrophobicContact CB-CD2 4.34Å; I851-Y853 HydrophobicContact CB-CE2 4.28Å; I851-Y853 HydrophobicContact CD1-CE1 4.18Å; I851-Y853 HydrophobicContact CD1-CE2 4.4Å; I851-Y853 HydrophobicContact CG2-CD1 4.47Å; I851-Y853 HydrophobicContact CG2-CD2 4.49Å; I851-Y853 HydrophobicContact CG2-CG 4.36Å; I851-Y853 PolarHBondContact O-N 3.26Å; I851-I856 HydrophobicContact CG2-CD1 3.67Å | ||
| 852 | N | 79.3 | Confident | 66.2 | Low | 96 Ų | 96 | 78.9 Ų | 78.9 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | trans | -80.7 | 90.5 | 160.3 | -173.8 | -0.8 | 0 | 0 | 0 | 109 | N850 Y854 S855 | N850-N852 PolarHBondContact O-N 3.2Å; N852-Y854 PolarHBondContact O-N 3.41Å; N852-Y854 WeakPolarHBondContact OD1-CB 3.45Å; N852-Y854 WeakPolarHBondContact OD1-CD2 2.98Å; N852-Y854 PolarHBondContact OD1-N 3.29Å; N852-S855 PolarHBondContact O-N 3.03Å; N852-S855 PolarHBondContact O-OG 3.18Å | ||
| 853 | Y | 81.4 | Confident | 68.4 | Low | 46 Ų | 46 | 78.2 Ų | 78.2 | 18% | 0.18 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -54.4 | -27.2 | -178.9 | -73 | -87.9 | 0 | 0 | 0 | 113.3 | T798 I801 I851 S855 I856 N874 L875 | T798-Y853 WeakPolarHBondContact CG2-OH 2.79Å; I801-Y853 HydrophobicContact CG2-CE1 4.44Å; I851-Y853 HydrophobicContact CB-CD2 4.34Å; I851-Y853 HydrophobicContact CB-CE2 4.28Å; I851-Y853 HydrophobicContact CD1-CE1 4.18Å; I851-Y853 HydrophobicContact CD1-CE2 4.4Å; I851-Y853 HydrophobicContact CG2-CD1 4.47Å; I851-Y853 HydrophobicContact CG2-CD2 4.49Å; I851-Y853 HydrophobicContact CG2-CG 4.36Å; I851-Y853 PolarHBondContact O-N 3.26Å; Y853-S855 VanDerWaalsContact C-N 3.29Å; Y853-S855 PolarHBondContact O-N 2.85Å; Y853-I856 PolarHBondContact O-N 3.01Å; Y853-N874 HydrophobicContact CD1-CB 3.85Å; Y853-N874 HydrophobicContact CD2-CB 4.28Å; Y853-N874 HydrophobicContact CE1-CB 4.37Å; Y853-N874 HydrophobicContact CG-CB 3.78Å; Y853-L875 HydrophobicContact CD1-CD2 3.73Å; Y853-L875 HydrophobicContact CD1-CG 4.32Å |
| 854 | Y | 83.1 | Confident | 70.5 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 57% | 0.573 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -71 | -19 | 179.7 | -58.9 | -80 | 0 | 0 | 0 | 113.9 | N852 I876 N877 | N852-Y854 PolarHBondContact O-N 3.41Å; N852-Y854 WeakPolarHBondContact OD1-CB 3.45Å; N852-Y854 WeakPolarHBondContact OD1-CD2 2.98Å; N852-Y854 PolarHBondContact OD1-N 3.29Å; Y854-I876 HydrophobicContact CD1-CD1 3.58Å; Y854-I876 HydrophobicContact CD1-CG1 3.67Å; Y854-I876 HydrophobicContact CE1-CD1 3.5Å; Y854-I876 HydrophobicContact CE1-CG1 3.88Å; Y854-N877 PolarHBondContact O-ND2 3.45Å |
| 855 | S | 80.1 | Confident | 72.4 | Confident | 22 Ų | 22 | 67 Ų | 67 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -87.6 | -8.8 | 177.8 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | T807 N852 Y853 T857 | T807-S855 VanDerWaalsContact CG2-OG 3.25Å; T807-S855 WeakPolarHBondContact CG2-OG 2.96Å; N852-S855 PolarHBondContact O-N 3.03Å; N852-S855 PolarHBondContact O-OG 3.18Å; Y853-S855 VanDerWaalsContact C-N 3.29Å; Y853-S855 PolarHBondContact O-N 2.85Å; S855-T857 PolarHBondContact O-N 3.11Å |
| 856 | I | 84.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.7 | -178.7 | -59.2 | 176.5 | 0 | 0 | 0 | 109.7 | I801 H805 I851 Y853 L875 N877 L878 | I801-I856 HydrophobicContact CG2-CD1 3.79Å; H805-I856 HydrophobicContact CB-CD1 3.67Å; H805-I856 HydrophobicContact CB-CG1 3.91Å; H805-I856 HydrophobicContact CB-CG2 3.92Å; I851-I856 HydrophobicContact CG2-CD1 3.67Å; Y853-I856 PolarHBondContact O-N 3.01Å; I856-L875 HydrophobicContact CB-CD2 3.78Å; I856-L875 HydrophobicContact CD1-CD2 3.62Å; I856-L875 HydrophobicContact CG1-CD2 4.22Å; I856-L875 HydrophobicContact CG2-CD2 3.91Å; I856-N877 CarbonylContact O-C 3.58Å; I856-L878 HydrophobicContact CG2-CD1 4.34Å |
| 857 | T | 88.5 | Confident | 76.9 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | -16.2 | 177.1 | 62.6 | 0 | 0 | 0 | 0 | 113.2 | T808 S855 K879 Y880 | T808-T857 WeakPolarHBondContact CB-OG1 3.41Å; T808-T857 WeakPolarHBondContact CG2-OG1 3.48Å; T808-T857 WeakPolarHBondContact OG1-CB 2.91Å; T808-T857 WeakPolarHBondContact OG1-CG2 3.44Å; T808-T857 PolarHBondContact OG1-OG1 2.58Å; S855-T857 PolarHBondContact O-N 3.11Å; T857-K879 PolarHBondContact O-N 2.73Å; T857-Y880 PolarHBondContact O-N 3.09Å; T857-Y880 VanDerWaalsContact O-N 3.12Å |
| 858 | S | 88.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132.3 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 110 | I806 A829 Y880 | I806-S858 PolarHBondContact N-O 3.25Å; A829-S858 VanDerWaalsContact CA-OG 3.3Å; A829-S858 WeakPolarHBondContact CA-OG 3.5Å; A829-S858 WeakPolarHBondContact CB-OG 3.46Å; S858-Y880 WeakPolarHBondContact CA-O 3.42Å |
| 859 | L | 90.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 125.8 | 178.4 | -175.6 | 62.6 | 0 | 0 | 0 | 110.7 | I801 L804 H805 A829 L861 L872 L875 L878 Y880 L881 S882 | I801-L859 HydrophobicContact CG1-CD2 4.35Å; L804-L859 HydrophobicContact CB-CD1 4.42Å; H805-L859 HydrophobicContact CB-CD1 4.33Å; A829-L859 WeakPolarHBondContact CB-O 3.42Å; L859-L861 HydrophobicContact CD1-CD2 4.4Å; L859-L861 HydrophobicContact CD1-CG 4.34Å; L859-L861 HydrophobicContact CD2-CD1 3.8Å; L859-L861 HydrophobicContact CD2-CG 4.24Å; L859-L861 HydrophobicContact CG-CD1 4.09Å; L859-L861 HydrophobicContact CG-CG 3.98Å; L859-L872 HydrophobicContact CD2-CD2 3.86Å; L859-L875 HydrophobicContact CD2-CD1 3.74Å; L859-L878 HydrophobicContact CB-CD1 3.75Å; L859-Y880 PolarHBondContact N-O 3.07Å; L859-L881 HydrophobicContact CB-CD1 4.24Å; L859-L881 HydrophobicContact CD2-CD1 4.35Å; L859-L881 HydrophobicContact CG-CD1 4.41Å; L859-S882 PolarHBondContact O-N 3.26Å |
| 860 | C | 88.7 | Confident | 83.2 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.5 | 177.6 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | A829 Q833 | A829-C860 HydrophobicContact CB-CB 4.23Å; Q833-C860 HydrophobicContact CB-CB 4.19Å; Q833-C860 PolarHBondContact OE1-SG 3.19Å |
| 861 | L | 90 | Very high | 84.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -128.7 | 42.5 | -175.2 | -68.2 | 172.1 | 0 | 0 | 0 | 110.1 | I796 L804 L859 L864 I866 S882 L883 N886 | I796-L861 HydrophobicContact CD1-CD1 3.76Å; I796-L861 HydrophobicContact CG1-CD1 4Å; I796-L861 HydrophobicContact CG2-CD1 4.01Å; L804-L861 HydrophobicContact CD1-CD2 3.76Å; L859-L861 HydrophobicContact CD1-CD2 4.4Å; L859-L861 HydrophobicContact CD1-CG 4.34Å; L859-L861 HydrophobicContact CD2-CD1 3.8Å; L859-L861 HydrophobicContact CD2-CG 4.24Å; L859-L861 HydrophobicContact CG-CD1 4.09Å; L859-L861 HydrophobicContact CG-CG 3.98Å; L861-L864 HydrophobicContact CB-CD1 4.1Å; L861-L864 HydrophobicContact CD2-CD1 3.85Å; L861-I866 HydrophobicContact CB-CD1 3.8Å; L861-I866 HydrophobicContact CD1-CD1 4.45Å; L861-S882 PolarHBondContact N-O 2.61Å; L861-L883 HydrophobicContact CB-CD2 3.7Å; L861-L883 HydrophobicContact CD1-CD2 3.91Å; L861-L883 HydrophobicContact CG-CD2 4.46Å; L861-N886 PolarHBondContact O-ND2 3Å | ||
| 862 | Q | 84.2 | Confident | 85.5 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 145.2 | -175.8 | -68.3 | -175.9 | -12.5 | 0 | 0 | 112.9 | L864 S882 N884 | Q862-L864 VanDerWaalsContact C-N 3.29Å; Q862-L864 WeakPolarHBondContact O-CG 3.31Å; Q862-L864 PolarHBondContact O-N 3.26Å; Q862-S882 VanDerWaalsContact CG-OG 3.28Å; Q862-S882 WeakPolarHBondContact CG-OG 3.36Å; Q862-S882 PolarHBondContact NE2-OG 2.85Å; Q862-N884 VanDerWaalsContact CA-O 3.24Å; Q862-N884 WeakPolarHBondContact CA-O 3.45Å; Q862-N884 HydrophobicContact CG-CB 3.93Å |
| 863 | S | 81.4 | Confident | 86.1 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 54% | 0.538 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 34.5 | 172.1 | -55.3 | 0 | 0 | 0 | 0 | 114.5 | N884 H885 | S863-N884 PolarHBondContact N-O 2.87Å; S863-N884 VanDerWaalsContact N-O 3.13Å; S863-H885 WeakPolarHBondContact CA-O 3.44Å; S863-H885 WeakPolarHBondContact OG-CB 3.41Å |
| 864 | L | 79.9 | Confident | 86.5 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.262 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -106.3 | 12.6 | -178.7 | -60.3 | 175.4 | 0 | 0 | 0 | 112.6 | M800 L804 L861 Q862 I866 N886 | M800-L864 HydrophobicContact CE-CB 4.13Å; M800-L864 HydrophobicContact CE-CD1 3.53Å; M800-L864 HydrophobicContact CE-CG 4.29Å; L804-L864 HydrophobicContact CD1-CD1 3.75Å; L861-L864 HydrophobicContact CB-CD1 4.1Å; L861-L864 HydrophobicContact CD2-CD1 3.85Å; Q862-L864 VanDerWaalsContact C-N 3.29Å; Q862-L864 WeakPolarHBondContact O-CG 3.31Å; Q862-L864 PolarHBondContact O-N 3.26Å; L864-I866 HydrophobicContact CB-CD1 3.79Å; L864-I866 HydrophobicContact CB-CG1 3.88Å; L864-I866 HydrophobicContact CD1-CD1 4.13Å; L864-I866 PolarHBondContact O-N 3.02Å; L864-I866 VanDerWaalsContact O-N 3.13Å; L864-N886 PolarHBondContact N-OD1 3.24Å; L864-N886 VanDerWaalsContact N-OD1 3.09Å |
| 865 | N | 77.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 36 Ų | 36 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | trans | 54.5 | 27.8 | -175.9 | -59.3 | -47.9 | 0 | 0 | 0 | 113.6 | C794 Y867 N886 L887 | C794-N865 HydrophobicContact CB-CB 4.42Å; C794-N865 WeakPolarHBondContact CB-O 3.5Å; N865-Y867 PolarHBondContact O-N 3.33Å; N865-N886 PolarHBondContact N-OD1 2.82Å; N865-L887 HydrophobicContact CB-CD1 4.1Å | ||
| 866 | I | 84.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -67.2 | 125.4 | -178.3 | -67.1 | 159.1 | 0 | 0 | 0 | 109.3 | C794 I796 M800 L861 L864 K868 L883 N886 L887 I888 | C794-I866 WeakPolarHBondContact O-CA 3.47Å; I796-I866 HydrophobicContact CD1-CD1 4.4Å; I796-I866 HydrophobicContact CD1-CG2 4.16Å; I796-I866 HydrophobicContact CG1-CD1 3.75Å; I796-I866 HydrophobicContact CG1-CG1 4.14Å; I796-I866 HydrophobicContact CG1-CG2 3.89Å; M800-I866 HydrophobicContact CE-CD1 4.48Å; L861-I866 HydrophobicContact CB-CD1 3.8Å; L861-I866 HydrophobicContact CD1-CD1 4.45Å; L864-I866 HydrophobicContact CB-CD1 3.79Å; L864-I866 HydrophobicContact CB-CG1 3.88Å; L864-I866 HydrophobicContact CD1-CD1 4.13Å; L864-I866 PolarHBondContact O-N 3.02Å; L864-I866 VanDerWaalsContact O-N 3.13Å; I866-K868 VanDerWaalsContact CG2-O 3.25Å; I866-K868 WeakPolarHBondContact CG2-O 3.48Å; I866-L883 HydrophobicContact CD1-CD2 4.2Å; I866-N886 HydrophobicContact CB-CB 4.23Å; I866-N886 PolarHBondContact N-OD1 3.42Å; I866-N886 WeakPolarHBondContact O-CB 3.44Å; I866-L887 CarbonylContact O-C 3.56Å; I866-L887 WeakPolarHBondContact O-CA 3.47Å; I866-L887 PolarHBondContact O-N 3.05Å; I866-I888 HydrophobicContact CG2-CD1 4.49Å; I866-I888 HydrophobicContact CG2-CG1 4.33Å; I866-I888 WeakPolarHBondContact O-CG1 3.35Å; I866-I888 PolarHBondContact O-N 2.62Å | ||
| 867 | Y | 83.1 | Confident | 87.7 | Confident | 119 Ų | 119 | 40.9 Ų | 40.9 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | trans | -100.2 | -12.8 | 178.3 | 65.4 | -88.7 | 0 | 0 | 0 | 113.8 | C794 I795 N865 | C794-Y867 HydrophobicContact CB-CD1 4.36Å; C794-Y867 WeakPolarHBondContact O-CD1 3.34Å; I795-Y867 HydrophobicContact CD1-CE1 4.29Å; I795-Y867 WeakPolarHBondContact CD1-OH 3.37Å; I795-Y867 HydrophobicContact CG1-CE1 3.64Å; N865-Y867 PolarHBondContact O-N 3.33Å | ||
| 868 | K | 85.9 | Confident | 88 | Confident | 79 Ų | 79 | 40.2 Ų | 40.2 | 34% | 0.343 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -146.5 | 135.2 | -175.8 | 178.8 | 166.1 | -179.1 | -169.8 | 0 | 112.2 | I866 Q870 E892 | I866-K868 VanDerWaalsContact CG2-O 3.25Å; I866-K868 WeakPolarHBondContact CG2-O 3.48Å; K868-Q870 HydrophobicContact CG-CB 4.5Å; K868-Q870 HydrophobicContact CG-CG 4.47Å; K868-E892 WeakPolarHBondContact CD-OE1 3.42Å; K868-E892 WeakPolarHBondContact CE-OE1 3.37Å; K868-E892 VanDerWaalsContact CG-OE1 3.28Å; K868-E892 WeakPolarHBondContact CG-OE1 3.41Å |
| 869 | I | 92.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -84.6 | 113.5 | 173.8 | -51 | 175.5 | 0 | 0 | 0 | 108.6 | L872 L883 I888 E892 L894 L905 | I869-L872 HydrophobicContact CG2-CD1 3.62Å; I869-L872 HydrophobicContact CG2-CG 4.48Å; I869-L883 HydrophobicContact CD1-CD1 3.81Å; I869-L883 HydrophobicContact CG1-CD1 3.91Å; I869-L883 HydrophobicContact CG2-CD1 4.32Å; I869-I888 HydrophobicContact CD1-CD1 4.16Å; I869-I888 HydrophobicContact CD1-CG2 4.12Å; I869-I888 HydrophobicContact CG1-CD1 3.72Å; I869-I888 HydrophobicContact CG1-CG1 4.22Å; I869-I888 HydrophobicContact CG1-CG2 4.02Å; I869-E892 WeakPolarHBondContact CB-O 3.42Å; I869-E892 WeakPolarHBondContact CG2-O 3.44Å; I869-L894 HydrophobicContact CG2-CD2 4Å; I869-L894 HydrophobicContact CG2-CG 4.35Å; I869-L905 HydrophobicContact CD1-CD2 3.91Å | ||
| 870 | Q | 91.4 | Very high | 88.3 | Confident | 47 Ų | 47 | 43.5 Ų | 43.5 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | trans | -156.7 | 170.3 | -179.9 | 61.2 | -179.8 | 34.5 | 0 | 0 | 110.5 | I795 K868 L872 | I795-Q870 HydrophobicContact CG2-CG 4.5Å; K868-Q870 HydrophobicContact CG-CB 4.5Å; K868-Q870 HydrophobicContact CG-CG 4.47Å; Q870-L872 PolarHBondContact O-N 2.93Å | ||
| 871 | N | 88.4 | Confident | 88.6 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 35% | 0.353 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 64.2 | 26.7 | 178.5 | -57.2 | -33.6 | 0 | 0 | 0 | 113.7 | I796 I801 E873 | I796-N871 PolarHBondContact O-ND2 3.25Å; I801-N871 WeakPolarHBondContact CD1-O 3.15Å; N871-E873 WeakPolarHBondContact CA-OE2 3.29Å; N871-E873 PolarHBondContact N-OE1 2.74Å |
| 872 | L | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -107.3 | 5.8 | 176.8 | -54.8 | -177.2 | 0 | 0 | 0 | 112.6 | I796 I801 L859 I869 Q870 N874 L875 L881 L894 N897 | I796-L872 HydrophobicContact CD1-CD2 4.46Å; I796-L872 HydrophobicContact CG2-CD2 4.11Å; I801-L872 HydrophobicContact CD1-CD2 4.29Å; L859-L872 HydrophobicContact CD2-CD2 3.86Å; I869-L872 HydrophobicContact CG2-CD1 3.62Å; I869-L872 HydrophobicContact CG2-CG 4.48Å; Q870-L872 PolarHBondContact O-N 2.93Å; L872-N874 PolarHBondContact O-N 3.01Å; L872-L875 HydrophobicContact CB-CD1 4.23Å; L872-L875 HydrophobicContact CD2-CD1 3.6Å; L872-L875 HydrophobicContact CG-CD1 4.48Å; L872-L875 PolarHBondContact O-N 3.22Å; L872-L875 VanDerWaalsContact O-N 3.1Å; L872-L881 HydrophobicContact CD1-CD2 3.89Å; L872-L894 HydrophobicContact CD1-CD2 3.9Å; L872-N897 PolarHBondContact O-ND2 3.01Å | ||
| 873 | E | 91.1 | Very high | 89.3 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -28.6 | -170 | -54.1 | 82.1 | -172.9 | 0 | 0 | 112.8 | N871 N896 | N871-E873 WeakPolarHBondContact CA-OE2 3.29Å; N871-E873 PolarHBondContact N-OE1 2.74Å; E873-N896 WeakPolarHBondContact O-CB 3.38Å; E873-N896 PolarHBondContact O-ND2 3.39Å |
| 874 | N | 89.5 | Confident | 89.8 | Confident | 90 Ų | 90 | 38.4 Ų | 38.4 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.6 | -179.7 | -65.5 | -25.5 | 0 | 0 | 0 | 113.3 | Y853 L872 I876 | Y853-N874 HydrophobicContact CD1-CB 3.85Å; Y853-N874 HydrophobicContact CD2-CB 4.28Å; Y853-N874 HydrophobicContact CE1-CB 4.37Å; Y853-N874 HydrophobicContact CG-CB 3.78Å; L872-N874 PolarHBondContact O-N 3.01Å; N874-I876 PolarHBondContact O-N 3.17Å |
| 875 | L | 91.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -86 | 55.9 | -175.2 | -60.8 | 171.8 | 0 | 0 | 0 | 111.7 | I801 Y853 I856 L859 L872 N877 L878 N897 | I801-L875 HydrophobicContact CD1-CD1 4.43Å; I801-L875 HydrophobicContact CG2-CD2 4.39Å; Y853-L875 HydrophobicContact CD1-CD2 3.73Å; Y853-L875 HydrophobicContact CD1-CG 4.32Å; I856-L875 HydrophobicContact CB-CD2 3.78Å; I856-L875 HydrophobicContact CD1-CD2 3.62Å; I856-L875 HydrophobicContact CG1-CD2 4.22Å; I856-L875 HydrophobicContact CG2-CD2 3.91Å; L859-L875 HydrophobicContact CD2-CD1 3.74Å; L872-L875 HydrophobicContact CB-CD1 4.23Å; L872-L875 HydrophobicContact CD2-CD1 3.6Å; L872-L875 HydrophobicContact CG-CD1 4.48Å; L872-L875 PolarHBondContact O-N 3.22Å; L872-L875 VanDerWaalsContact O-N 3.1Å; L875-N877 PolarHBondContact O-N 2.65Å; L875-L878 HydrophobicContact CB-CB 4.14Å; L875-L878 HydrophobicContact CB-CD2 4.47Å; L875-L878 HydrophobicContact CD1-CD2 4.47Å; L875-L878 WeakPolarHBondContact O-CB 3.47Å; L875-L878 PolarHBondContact O-N 3.49Å; L875-L878 VanDerWaalsContact O-N 3.14Å; L875-N897 PolarHBondContact O-ND2 2.83Å | ||
| 876 | I | 91.2 | Very high | 90.6 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 34% | 0.338 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.7 | -170.9 | 63.5 | 162.3 | 0 | 0 | 0 | 114.1 | Y854 N874 N899 | Y854-I876 HydrophobicContact CD1-CD1 3.58Å; Y854-I876 HydrophobicContact CD1-CG1 3.67Å; Y854-I876 HydrophobicContact CE1-CD1 3.5Å; Y854-I876 HydrophobicContact CE1-CG1 3.88Å; N874-I876 PolarHBondContact O-N 3.17Å; I876-N899 PolarHBondContact O-ND2 3.4Å |
| 877 | N | 90.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 32% | 0.316 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 8.5 | 179.3 | -69.9 | -26.3 | 0 | 0 | 0 | 113.1 | Y854 I856 L875 K879 | Y854-N877 PolarHBondContact O-ND2 3.45Å; I856-N877 CarbonylContact O-C 3.58Å; L875-N877 PolarHBondContact O-N 2.65Å; N877-K879 PolarHBondContact O-N 3.46Å |
| 878 | L | 93.3 | Very high | 91 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -62.7 | 123.1 | 177.6 | -168.3 | 68 | 0 | 0 | 0 | 110.7 | I856 L859 L875 L881 N899 L900 | I856-L878 HydrophobicContact CG2-CD1 4.34Å; L859-L878 HydrophobicContact CB-CD1 3.75Å; L875-L878 HydrophobicContact CB-CB 4.14Å; L875-L878 HydrophobicContact CB-CD2 4.47Å; L875-L878 HydrophobicContact CD1-CD2 4.47Å; L875-L878 WeakPolarHBondContact O-CB 3.47Å; L875-L878 PolarHBondContact O-N 3.49Å; L875-L878 VanDerWaalsContact O-N 3.14Å; L878-L881 HydrophobicContact CD2-CB 4.03Å; L878-L881 HydrophobicContact CD2-CD1 4.29Å; L878-L881 HydrophobicContact CD2-CD2 4.14Å; L878-L881 HydrophobicContact CD2-CG 4.38Å; L878-N899 CarbonylContact O-C 3.48Å; L878-L900 HydrophobicContact CD2-CD2 4.13Å; L878-L900 HydrophobicContact CG-CD2 4.01Å; L878-L900 PolarHBondContact O-N 2.87Å | ||
| 879 | K | 93.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 22% | 0.222 | 16% | 0.159 | C | C | . | . | trans | -108.3 | -36.1 | 178 | -64.9 | -172.1 | -178.9 | -167.5 | 0 | 112.5 | D818 T857 N877 I901 E902 | D818-K879 IonicContact OD1-NZ 2.77Å; D818-K879 PolarHBondContact OD1-NZ 2.84Å; D818-K879 IonicContact OD2-NZ 3.77Å; D818-K879 PolarHBondContact OD2-NZ 3.38Å; T857-K879 PolarHBondContact O-N 2.73Å; N877-K879 PolarHBondContact O-N 3.46Å; K879-I901 HydrophobicContact CB-CD1 4.28Å; K879-I901 HydrophobicContact CB-CG1 4.41Å; K879-I901 HydrophobicContact CD-CD1 3.95Å; K879-I901 HydrophobicContact CG-CD1 4.31Å; K879-I901 PolarHBondContact O-N 3.27Å; K879-E902 PolarHBondContact O-N 2.95Å; K879-E902 VanDerWaalsContact O-N 3.11Å | ||
| 880 | Y | 93.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.6 | -175.9 | -46.9 | -68.5 | 0 | 0 | 0 | 109.7 | I828 T857 S858 L859 I901 E902 | I828-Y880 HydrophobicContact CB-CD1 3.85Å; I828-Y880 HydrophobicContact CB-CE1 4.31Å; I828-Y880 HydrophobicContact CB-CG 3.97Å; I828-Y880 HydrophobicContact CD1-CD1 3.71Å; I828-Y880 HydrophobicContact CD1-CE1 3.42Å; I828-Y880 VanDerWaalsContact CD1-CE1 3.42Å; I828-Y880 HydrophobicContact CG1-CD1 4.39Å; I828-Y880 HydrophobicContact CG1-CE1 4.46Å; I828-Y880 HydrophobicContact CG2-CD1 3.73Å; I828-Y880 HydrophobicContact CG2-CD2 3.58Å; I828-Y880 HydrophobicContact CG2-CE1 4.02Å; I828-Y880 HydrophobicContact CG2-CE2 3.87Å; I828-Y880 HydrophobicContact CG2-CG 3.5Å; T857-Y880 PolarHBondContact O-N 3.09Å; T857-Y880 VanDerWaalsContact O-N 3.12Å; S858-Y880 WeakPolarHBondContact CA-O 3.42Å; L859-Y880 PolarHBondContact N-O 3.07Å; Y880-I901 HydrophobicContact CE1-CB 4.17Å; Y880-I901 HydrophobicContact CE1-CG2 4.28Å; Y880-E902 HydrophobicContact CD1-CB 3.93Å |
| 881 | L | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.1 | 178.4 | 178.5 | 57.9 | 0 | 0 | 0 | 110.4 | L859 L872 L878 L883 L894 L900 E902 L903 S904 | L859-L881 HydrophobicContact CB-CD1 4.24Å; L859-L881 HydrophobicContact CD2-CD1 4.35Å; L859-L881 HydrophobicContact CG-CD1 4.41Å; L872-L881 HydrophobicContact CD1-CD2 3.89Å; L878-L881 HydrophobicContact CD2-CB 4.03Å; L878-L881 HydrophobicContact CD2-CD1 4.29Å; L878-L881 HydrophobicContact CD2-CD2 4.14Å; L878-L881 HydrophobicContact CD2-CG 4.38Å; L881-L883 HydrophobicContact CD1-CD1 4.14Å; L881-L883 HydrophobicContact CD1-CG 4.08Å; L881-L883 HydrophobicContact CD2-CD1 3.78Å; L881-L883 HydrophobicContact CG-CD1 3.9Å; L881-L883 HydrophobicContact CG-CG 4.19Å; L881-L894 HydrophobicContact CD2-CD2 3.63Å; L881-L900 HydrophobicContact CB-CD2 3.8Å; L881-E902 PolarHBondContact N-O 2.83Å; L881-E902 VanDerWaalsContact N-O 3.1Å; L881-L903 HydrophobicContact CB-CD1 4.2Å; L881-L903 HydrophobicContact CD2-CD1 3.94Å; L881-L903 HydrophobicContact CG-CD1 4.15Å; L881-S904 PolarHBondContact O-N 3.28Å |
| 882 | S | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122 | 174.4 | -177.7 | 0 | 0 | 0 | 0 | 111 | L859 L861 Q862 | L859-S882 PolarHBondContact O-N 3.26Å; L861-S882 PolarHBondContact N-O 2.61Å; Q862-S882 VanDerWaalsContact CG-OG 3.28Å; Q862-S882 WeakPolarHBondContact CG-OG 3.36Å; Q862-S882 PolarHBondContact NE2-OG 2.85Å |
| 883 | L | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -128.5 | 26.7 | -179.3 | -77.1 | 160.7 | 0 | 0 | 0 | 110.5 | I796 L861 I866 I869 L881 N886 I888 S904 L905 N908 | I796-L883 HydrophobicContact CD1-CD2 4.18Å; L861-L883 HydrophobicContact CB-CD2 3.7Å; L861-L883 HydrophobicContact CD1-CD2 3.91Å; L861-L883 HydrophobicContact CG-CD2 4.46Å; I866-L883 HydrophobicContact CD1-CD2 4.2Å; I869-L883 HydrophobicContact CD1-CD1 3.81Å; I869-L883 HydrophobicContact CG1-CD1 3.91Å; I869-L883 HydrophobicContact CG2-CD1 4.32Å; L881-L883 HydrophobicContact CD1-CD1 4.14Å; L881-L883 HydrophobicContact CD1-CG 4.08Å; L881-L883 HydrophobicContact CD2-CD1 3.78Å; L881-L883 HydrophobicContact CG-CD1 3.9Å; L881-L883 HydrophobicContact CG-CG 4.19Å; L883-N886 VanDerWaalsContact C-ND2 3.31Å; L883-N886 PolarHBondContact O-ND2 3.39Å; L883-I888 HydrophobicContact CB-CD1 3.86Å; L883-I888 HydrophobicContact CD1-CD1 4.18Å; L883-I888 HydrophobicContact CD2-CD1 4.12Å; L883-I888 HydrophobicContact CG-CD1 4.3Å; L883-S904 PolarHBondContact N-O 3.13Å; L883-L905 HydrophobicContact CB-CD2 3.61Å; L883-L905 HydrophobicContact CB-CG 4.49Å; L883-L905 HydrophobicContact CD1-CD2 3.86Å; L883-L905 HydrophobicContact CG-CD2 4.4Å; L883-N908 PolarHBondContact O-ND2 3.45Å | ||
| 884 | N | 91.5 | Very high | 91.9 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | trans | -63.3 | 155.9 | -178.4 | -64.1 | -0.2 | 0 | 0 | 0 | 112.5 | Q862 S863 N886 S904 L905 E906 | Q862-N884 VanDerWaalsContact CA-O 3.24Å; Q862-N884 WeakPolarHBondContact CA-O 3.45Å; Q862-N884 HydrophobicContact CG-CB 3.93Å; S863-N884 PolarHBondContact N-O 2.87Å; S863-N884 VanDerWaalsContact N-O 3.13Å; N884-N886 VanDerWaalsContact C-N 3.3Å; N884-N886 PolarHBondContact O-N 3.14Å; N884-N886 PolarHBondContact O-ND2 3.2Å; N884-S904 PolarHBondContact ND2-OG 3.49Å; N884-S904 VanDerWaalsContact ND2-OG 3.07Å; N884-S904 WeakPolarHBondContact OD1-CB 3.45Å; N884-S904 PolarHBondContact OD1-O 3Å; N884-S904 PolarHBondContact OD1-OG 3.09Å; N884-L905 PolarHBondContact OD1-N 3.05Å; N884-E906 CarbonylContact C-O 3.54Å; N884-E906 WeakPolarHBondContact CA-O 3.24Å; N884-E906 HydrophobicContact CB-CB 4.43Å; N884-E906 PolarHBondContact ND2-OE2 2.88Å; N884-E906 VanDerWaalsContact ND2-OE2 3.09Å; N884-E906 PolarHBondContact OD1-N 3.22Å | ||
| 885 | H | 86.8 | Confident | 92.2 | Very high | 85 Ų | 85 | 33.3 Ų | 33.3 | 39% | 0.394 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 57.4 | 41.6 | 175.7 | -56.1 | -81.7 | 0 | 0 | 0 | 113.2 | S863 E906 Y907 | S863-H885 WeakPolarHBondContact CA-O 3.44Å; S863-H885 WeakPolarHBondContact OG-CB 3.41Å; H885-E906 PolarHBondContact N-O 3Å; H885-Y907 WeakPolarHBondContact CA-O 3.38Å; H885-Y907 AromaticContact CE1-CD1 3.88Å; H885-Y907 AromaticContact CE1-CD2 3.19Å; H885-Y907 WeakPolarHBondContact CE1-CD2 3.23Å; H885-Y907 AromaticContact CE1-CE2 3.62Å; H885-Y907 AromaticContact CE1-CG 3.35Å; H885-Y907 WeakPolarHBondContact ND1-CB 3.35Å; H885-Y907 AromaticContact ND1-CD2 3.77Å; H885-Y907 AromaticContact ND1-CG 3.5Å; H885-Y907 AromaticContact NE2-CD2 3.52Å; H885-Y907 AromaticContact NE2-CE2 3.93Å |
| 886 | N | 87.5 | Confident | 92.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -117 | -169.5 | 176.5 | -79.7 | -52.6 | 0 | 0 | 0 | 110.1 | L861 L864 N865 I866 L883 N884 I888 Y907 N908 | L861-N886 PolarHBondContact O-ND2 3Å; L864-N886 PolarHBondContact N-OD1 3.24Å; L864-N886 VanDerWaalsContact N-OD1 3.09Å; N865-N886 PolarHBondContact N-OD1 2.82Å; I866-N886 HydrophobicContact CB-CB 4.23Å; I866-N886 PolarHBondContact N-OD1 3.42Å; I866-N886 WeakPolarHBondContact O-CB 3.44Å; L883-N886 VanDerWaalsContact C-ND2 3.31Å; L883-N886 PolarHBondContact O-ND2 3.39Å; N884-N886 VanDerWaalsContact C-N 3.3Å; N884-N886 PolarHBondContact O-N 3.14Å; N884-N886 PolarHBondContact O-ND2 3.2Å; N886-I888 HydrophobicContact CB-CD1 4.17Å; N886-I888 HydrophobicContact CB-CG1 4.24Å; N886-Y907 PolarHBondContact N-O 3.09Å; N886-N908 WeakPolarHBondContact CA-OD1 3.35Å; N886-N908 WeakPolarHBondContact CB-OD1 3.43Å; N886-N908 PolarHBondContact O-OD1 3.38Å |
| 887 | L | 85.9 | Confident | 92.5 | Very high | 13 Ų | 13 | 34 Ų | 34 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | trans | -115.2 | 25 | -173.7 | -52.9 | -178.9 | 0 | 0 | 0 | 111.7 | L756 L759 N865 I866 E889 N908 | L756-L887 HydrophobicContact CD1-CD1 4.05Å; L756-L887 HydrophobicContact CD2-CD1 4.17Å; L756-L887 HydrophobicContact CD2-CD2 3.47Å; L756-L887 VanDerWaalsContact CD2-CD2 3.47Å; L756-L887 HydrophobicContact CD2-CG 4.38Å; L759-L887 HydrophobicContact CD1-CD1 3.5Å; N865-L887 HydrophobicContact CB-CD1 4.1Å; I866-L887 CarbonylContact O-C 3.56Å; I866-L887 WeakPolarHBondContact O-CA 3.47Å; I866-L887 PolarHBondContact O-N 3.05Å; L887-E889 PolarHBondContact O-N 3.16Å; L887-N908 PolarHBondContact N-OD1 3.33Å | ||
| 888 | I | 89.8 | Confident | 92.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -72.5 | 125.3 | -172.8 | -61.5 | 161.8 | 0 | 0 | 0 | 109.9 | I866 I869 L883 N886 K890 L905 N908 L909 I910 | I866-I888 HydrophobicContact CG2-CD1 4.49Å; I866-I888 HydrophobicContact CG2-CG1 4.33Å; I866-I888 WeakPolarHBondContact O-CG1 3.35Å; I866-I888 PolarHBondContact O-N 2.62Å; I869-I888 HydrophobicContact CD1-CD1 4.16Å; I869-I888 HydrophobicContact CD1-CG2 4.12Å; I869-I888 HydrophobicContact CG1-CD1 3.72Å; I869-I888 HydrophobicContact CG1-CG1 4.22Å; I869-I888 HydrophobicContact CG1-CG2 4.02Å; L883-I888 HydrophobicContact CB-CD1 3.86Å; L883-I888 HydrophobicContact CD1-CD1 4.18Å; L883-I888 HydrophobicContact CD2-CD1 4.12Å; L883-I888 HydrophobicContact CG-CD1 4.3Å; N886-I888 HydrophobicContact CB-CD1 4.17Å; N886-I888 HydrophobicContact CB-CG1 4.24Å; I888-K890 WeakPolarHBondContact CG2-O 3.32Å; I888-L905 HydrophobicContact CD1-CD2 3.73Å; I888-N908 HydrophobicContact CB-CB 4.36Å; I888-N908 VanDerWaalsContact CB-OD1 3.28Å; I888-N908 WeakPolarHBondContact CB-OD1 3.35Å; I888-N908 WeakPolarHBondContact CG1-OD1 3.19Å; I888-N908 PolarHBondContact N-OD1 3.46Å; I888-L909 CarbonylContact O-C 3.46Å; I888-L909 WeakPolarHBondContact O-CA 3.25Å; I888-L909 PolarHBondContact O-N 3.05Å; I888-I910 HydrophobicContact CG2-CG1 4.37Å; I888-I910 WeakPolarHBondContact O-CG1 3.3Å; I888-I910 PolarHBondContact O-N 3.37Å | ||
| 889 | E | 90.2 | Very high | 92.7 | Very high | 95 Ų | 95 | 37.2 Ų | 37.2 | 44% | 0.444 | 19% | 0.186 | S | C | . | . | trans | -96 | -20.5 | 177.6 | -64.6 | -170.9 | 175.9 | 0 | 0 | 113.6 | L887 L909 I910 | L887-E889 PolarHBondContact O-N 3.16Å; E889-L909 HydrophobicContact CG-CB 3.95Å; E889-L909 HydrophobicContact CG-CD1 4.42Å; E889-I910 WeakPolarHBondContact O-CA 3.29Å | ||
| 890 | K | 92.8 | Very high | 92.8 | Very high | 112 Ų | 112 | 34.8 Ų | 34.8 | 49% | 0.487 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -143.8 | 142 | -174.9 | -63.3 | -174.9 | -176 | 178.3 | 0 | 111.5 | I888 E892 | I888-K890 WeakPolarHBondContact CG2-O 3.32Å; K890-E892 PolarHBondContact O-N 3.47Å |
| 891 | I | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -81.7 | 112.6 | 171.4 | -51.1 | 179.9 | 0 | 0 | 0 | 107.3 | L894 L905 I910 E914 N915 I916 L927 | I891-L894 HydrophobicContact CG2-CD1 4.07Å; I891-L905 HydrophobicContact CD1-CD1 3.97Å; I891-L905 HydrophobicContact CG1-CD1 3.9Å; I891-L905 HydrophobicContact CG2-CD1 4.37Å; I891-I910 HydrophobicContact CD1-CD1 4.31Å; I891-I910 HydrophobicContact CG1-CD1 3.84Å; I891-I910 HydrophobicContact CG1-CG1 4.49Å; I891-I910 HydrophobicContact CG1-CG2 4.27Å; I891-E914 WeakPolarHBondContact CB-O 3.11Å; I891-N915 WeakPolarHBondContact O-CB 3.33Å; I891-N915 PolarHBondContact O-ND2 3.4Å; I891-I916 HydrophobicContact CD1-CG2 4.18Å; I891-I916 HydrophobicContact CG2-CG2 3.93Å; I891-L927 HydrophobicContact CD1-CD2 4.11Å | ||
| 892 | E | 94.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 35.3 Ų | 35.3 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | trans | -151.2 | 175.9 | -179.5 | 59.6 | -176.1 | 175.4 | 0 | 0 | 110.3 | K868 I869 K890 L894 | K868-E892 WeakPolarHBondContact CD-OE1 3.42Å; K868-E892 WeakPolarHBondContact CE-OE1 3.37Å; K868-E892 VanDerWaalsContact CG-OE1 3.28Å; K868-E892 WeakPolarHBondContact CG-OE1 3.41Å; I869-E892 WeakPolarHBondContact CB-O 3.42Å; I869-E892 WeakPolarHBondContact CG2-O 3.44Å; K890-E892 PolarHBondContact O-N 3.47Å; E892-L894 PolarHBondContact O-N 3.01Å | ||
| 893 | G | 93.2 | Very high | 93.1 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 71.8 | 8.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 894 | L | 96 | Very high | 93.2 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | -102.9 | 7.7 | -177.1 | -60.9 | -179.6 | 0 | 0 | 0 | 115.1 | I869 L872 L881 I891 E892 N896 N897 L900 L903 H918 | I869-L894 HydrophobicContact CG2-CD2 4Å; I869-L894 HydrophobicContact CG2-CG 4.35Å; L872-L894 HydrophobicContact CD1-CD2 3.9Å; L881-L894 HydrophobicContact CD2-CD2 3.63Å; I891-L894 HydrophobicContact CG2-CD1 4.07Å; E892-L894 PolarHBondContact O-N 3.01Å; L894-N896 PolarHBondContact O-N 3.33Å; L894-N896 VanDerWaalsContact O-N 3.07Å; L894-N897 WeakPolarHBondContact CA-OD1 3.27Å; L894-N897 PolarHBondContact O-N 2.84Å; L894-L900 HydrophobicContact CD1-CD1 4.31Å; L894-L900 HydrophobicContact CD2-CD1 4.35Å; L894-L903 HydrophobicContact CD1-CD1 4.04Å; L894-L903 HydrophobicContact CD1-CD2 3.76Å; L894-H918 PolarHBondContact O-NE2 2.91Å | ||
| 895 | N | 94.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 35.1 Ų | 35.1 | 55% | 0.551 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.5 | -171.5 | -64.2 | -25.1 | 0 | 0 | 0 | 114.2 | ||
| 896 | N | 94.1 | Very high | 93.8 | Very high | 81 Ų | 81 | 31.7 Ų | 31.7 | 43% | 0.433 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.7 | -178.1 | -69.4 | 2.6 | 0 | 0 | 0 | 113.3 | E873 L894 L898 | E873-N896 WeakPolarHBondContact O-CB 3.38Å; E873-N896 PolarHBondContact O-ND2 3.39Å; L894-N896 PolarHBondContact O-N 3.33Å; L894-N896 VanDerWaalsContact O-N 3.07Å; N896-L898 PolarHBondContact O-N 3.24Å |
| 897 | N | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -89 | 51.3 | -174.4 | -50.1 | 104.9 | 0 | 0 | 0 | 111.3 | L872 L875 L894 N899 L900 | L872-N897 PolarHBondContact O-ND2 3.01Å; L875-N897 PolarHBondContact O-ND2 2.83Å; L894-N897 WeakPolarHBondContact CA-OD1 3.27Å; L894-N897 PolarHBondContact O-N 2.84Å; N897-N899 PolarHBondContact O-N 2.83Å; N897-L900 HydrophobicContact CB-CD1 3.74Å; N897-L900 HydrophobicContact CB-CG 3.96Å; N897-L900 WeakPolarHBondContact O-CG 3.28Å; N897-L900 PolarHBondContact O-N 3.28Å | ||
| 898 | L | 94.5 | Very high | 94.2 | Very high | 86 Ų | 86 | 34 Ų | 34 | 45% | 0.45 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.4 | -173.6 | -57.6 | 177.8 | 0 | 0 | 0 | 114.3 | N896 | N896-L898 PolarHBondContact O-N 3.24Š|
| 899 | N | 93.8 | Very high | 94.2 | Very high | 41 Ų | 41 | 34.8 Ų | 34.8 | 22% | 0.219 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.6 | -179.9 | -70.8 | -47.4 | 0 | 0 | 0 | 114.2 | I876 L878 N897 I901 K921 | I876-N899 PolarHBondContact O-ND2 3.4Å; L878-N899 CarbonylContact O-C 3.48Å; N897-N899 PolarHBondContact O-N 2.83Å; N899-I901 PolarHBondContact O-N 2.98Å; N899-K921 PolarHBondContact OD1-NZ 3.41Å |
| 900 | L | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -59.9 | 127.1 | 178.2 | -78.6 | 170.9 | 0 | 0 | 0 | 111.8 | L878 L881 L894 N897 L919 K921 L922 | L878-L900 HydrophobicContact CD2-CD2 4.13Å; L878-L900 HydrophobicContact CG-CD2 4.01Å; L878-L900 PolarHBondContact O-N 2.87Å; L881-L900 HydrophobicContact CB-CD2 3.8Å; L894-L900 HydrophobicContact CD1-CD1 4.31Å; L894-L900 HydrophobicContact CD2-CD1 4.35Å; N897-L900 HydrophobicContact CB-CD1 3.74Å; N897-L900 HydrophobicContact CB-CG 3.96Å; N897-L900 WeakPolarHBondContact O-CG 3.28Å; N897-L900 PolarHBondContact O-N 3.28Å; L900-L919 HydrophobicContact CB-CD2 4.49Å; L900-L919 HydrophobicContact CD1-CD1 4.22Å; L900-L919 HydrophobicContact CD1-CD2 4.11Å; L900-K921 CarbonylContact O-C 3.52Å; L900-K921 VanDerWaalsContact O-C 3.23Å; L900-L922 HydrophobicContact CB-CD1 4.45Å; L900-L922 WeakPolarHBondContact O-CA 3.4Å; L900-L922 PolarHBondContact O-N 3.23Å | ||
| 901 | I | 95.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 28.9 Ų | 28.9 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -105.4 | -40.1 | 175 | -62.3 | 176.7 | 0 | 0 | 0 | 109.6 | K879 Y880 N899 E923 C924 | K879-I901 HydrophobicContact CB-CD1 4.28Å; K879-I901 HydrophobicContact CB-CG1 4.41Å; K879-I901 HydrophobicContact CD-CD1 3.95Å; K879-I901 HydrophobicContact CG-CD1 4.31Å; K879-I901 PolarHBondContact O-N 3.27Å; Y880-I901 HydrophobicContact CE1-CB 4.17Å; Y880-I901 HydrophobicContact CE1-CG2 4.28Å; N899-I901 PolarHBondContact O-N 2.98Å; I901-E923 HydrophobicContact CG2-CB 4.12Å; I901-E923 HydrophobicContact CG2-CG 4.11Å; I901-E923 PolarHBondContact O-N 3.2Å; I901-C924 PolarHBondContact O-N 3.27Å |
| 902 | E | 95.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.9 | 176.3 | -175.1 | 174.9 | 88.5 | 0 | 0 | 111.1 | P827 I828 K879 Y880 L881 C924 | P827-E902 VanDerWaalsContact CA-OE1 3.23Å; P827-E902 WeakPolarHBondContact CA-OE1 3.35Å; I828-E902 PolarHBondContact N-OE1 3Å; K879-E902 PolarHBondContact O-N 2.95Å; K879-E902 VanDerWaalsContact O-N 3.11Å; Y880-E902 HydrophobicContact CD1-CB 3.93Å; L881-E902 PolarHBondContact N-O 2.83Å; L881-E902 VanDerWaalsContact N-O 3.1Å; E902-C924 WeakPolarHBondContact CA-O 3.35Å; E902-C924 HydrophobicContact CB-CB 4.12Å; E902-C924 HydrophobicContact CG-CB 3.87Å; E902-C924 PolarHBondContact OE2-SG 3.26Å |
| 903 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 115 | 171.7 | 178.3 | 61 | 0 | 0 | 0 | 109.5 | L881 L894 L905 L919 L922 C924 L925 L926 | L881-L903 HydrophobicContact CB-CD1 4.2Å; L881-L903 HydrophobicContact CD2-CD1 3.94Å; L881-L903 HydrophobicContact CG-CD1 4.15Å; L894-L903 HydrophobicContact CD1-CD1 4.04Å; L894-L903 HydrophobicContact CD1-CD2 3.76Å; L903-L905 HydrophobicContact CD1-CD1 4Å; L903-L905 HydrophobicContact CD1-CG 4.15Å; L903-L905 HydrophobicContact CD2-CD1 3.83Å; L903-L905 HydrophobicContact CG-CD1 3.84Å; L903-L905 HydrophobicContact CG-CG 4.26Å; L903-L919 HydrophobicContact CD2-CD1 4.26Å; L903-L922 HydrophobicContact CB-CD1 3.86Å; L903-C924 PolarHBondContact N-O 2.91Å; L903-L925 HydrophobicContact CB-CD1 4.28Å; L903-L925 HydrophobicContact CD2-CD1 4.2Å; L903-L925 HydrophobicContact CG-CD1 4.37Å; L903-L926 PolarHBondContact O-N 3.38Å |
| 904 | S | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.7 | 179.2 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | P827 L881 L883 N884 | P827-S904 WeakPolarHBondContact CG-OG 3.43Å; L881-S904 PolarHBondContact O-N 3.28Å; L883-S904 PolarHBondContact N-O 3.13Å; N884-S904 PolarHBondContact ND2-OG 3.49Å; N884-S904 VanDerWaalsContact ND2-OG 3.07Å; N884-S904 WeakPolarHBondContact OD1-CB 3.45Å; N884-S904 PolarHBondContact OD1-O 3Å; N884-S904 PolarHBondContact OD1-OG 3.09Å |
| 905 | L | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -134.4 | 32.2 | -175.5 | -78.7 | 163.7 | 0 | 0 | 0 | 110.9 | I869 L883 N884 I888 I891 L903 N908 I910 L926 L927 N930 | I869-L905 HydrophobicContact CD1-CD2 3.91Å; L883-L905 HydrophobicContact CB-CD2 3.61Å; L883-L905 HydrophobicContact CB-CG 4.49Å; L883-L905 HydrophobicContact CD1-CD2 3.86Å; L883-L905 HydrophobicContact CG-CD2 4.4Å; N884-L905 PolarHBondContact OD1-N 3.05Å; I888-L905 HydrophobicContact CD1-CD2 3.73Å; I891-L905 HydrophobicContact CD1-CD1 3.97Å; I891-L905 HydrophobicContact CG1-CD1 3.9Å; I891-L905 HydrophobicContact CG2-CD1 4.37Å; L903-L905 HydrophobicContact CD1-CD1 4Å; L903-L905 HydrophobicContact CD1-CG 4.15Å; L903-L905 HydrophobicContact CD2-CD1 3.83Å; L903-L905 HydrophobicContact CG-CD1 3.84Å; L903-L905 HydrophobicContact CG-CG 4.26Å; L905-N908 PolarHBondContact O-ND2 3.13Å; L905-N908 VanDerWaalsContact O-ND2 3.11Å; L905-I910 HydrophobicContact CB-CD1 3.87Å; L905-I910 HydrophobicContact CD1-CD1 4.02Å; L905-I910 HydrophobicContact CD2-CD1 4.33Å; L905-I910 HydrophobicContact CG-CD1 4.32Å; L905-L926 PolarHBondContact N-O 3.17Å; L905-L927 HydrophobicContact CB-CD2 3.73Å; L905-L927 HydrophobicContact CD1-CD2 4.19Å; L905-N930 PolarHBondContact O-ND2 3.5Å | ||
| 906 | E | 94.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | trans | -71.3 | 153.9 | -176.8 | -54.4 | -177.8 | 106.6 | 0 | 0 | 111.8 | N884 H885 N908 L926 S928 | N884-E906 CarbonylContact C-O 3.54Å; N884-E906 WeakPolarHBondContact CA-O 3.24Å; N884-E906 HydrophobicContact CB-CB 4.43Å; N884-E906 PolarHBondContact ND2-OE2 2.88Å; N884-E906 VanDerWaalsContact ND2-OE2 3.09Å; N884-E906 PolarHBondContact OD1-N 3.22Å; H885-E906 PolarHBondContact N-O 3Å; E906-N908 PolarHBondContact O-N 3.24Å; E906-N908 PolarHBondContact O-ND2 3.22Å; E906-L926 HydrophobicContact CG-CB 3.72Å; E906-S928 CarbonylContact C-O 3.2Å; E906-S928 WeakPolarHBondContact CA-O 3.41Å; E906-S928 WeakPolarHBondContact OE1-CB 3.4Å | ||
| 907 | Y | 91.1 | Very high | 93.8 | Very high | 57 Ų | 57 | 28.3 Ų | 28.3 | 22% | 0.224 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 56.4 | 48.7 | 179.7 | -57.9 | -90.5 | 0 | 0 | 0 | 112.5 | E262 H885 N886 S928 N929 | E262-Y907 PolarHBondContact OE1-OH 3.28Å; H885-Y907 WeakPolarHBondContact CA-O 3.38Å; H885-Y907 AromaticContact CE1-CD1 3.88Å; H885-Y907 AromaticContact CE1-CD2 3.19Å; H885-Y907 WeakPolarHBondContact CE1-CD2 3.23Å; H885-Y907 AromaticContact CE1-CE2 3.62Å; H885-Y907 AromaticContact CE1-CG 3.35Å; H885-Y907 WeakPolarHBondContact ND1-CB 3.35Å; H885-Y907 AromaticContact ND1-CD2 3.77Å; H885-Y907 AromaticContact ND1-CG 3.5Å; H885-Y907 AromaticContact NE2-CD2 3.52Å; H885-Y907 AromaticContact NE2-CE2 3.93Å; N886-Y907 PolarHBondContact N-O 3.09Å; Y907-S928 PolarHBondContact N-O 2.88Å; Y907-N929 VanDerWaalsContact CA-O 3.25Å; Y907-N929 WeakPolarHBondContact CA-O 3.36Å; Y907-N929 HydrophobicContact CD1-CB 3.42Å; Y907-N929 VanDerWaalsContact CD1-CB 3.42Å; Y907-N929 HydrophobicContact CD2-CB 4.25Å; Y907-N929 HydrophobicContact CE1-CB 3.69Å; Y907-N929 VanDerWaalsContact CE1-ND2 3.3Å; Y907-N929 WeakPolarHBondContact CE1-ND2 3.05Å; Y907-N929 HydrophobicContact CE2-CB 4.47Å; Y907-N929 HydrophobicContact CG-CB 3.72Å; Y907-N929 PolarHBondContact N-O 2.85Å; Y907-N929 PolarHBondContact OH-ND2 3.49Å |
| 908 | N | 90.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -121.1 | -164 | 175.9 | -84.2 | -81.1 | 0 | 0 | 0 | 109.9 | L883 N886 L887 I888 L905 E906 I910 N929 N930 | L883-N908 PolarHBondContact O-ND2 3.45Å; N886-N908 WeakPolarHBondContact CA-OD1 3.35Å; N886-N908 WeakPolarHBondContact CB-OD1 3.43Å; N886-N908 PolarHBondContact O-OD1 3.38Å; L887-N908 PolarHBondContact N-OD1 3.33Å; I888-N908 HydrophobicContact CB-CB 4.36Å; I888-N908 VanDerWaalsContact CB-OD1 3.28Å; I888-N908 WeakPolarHBondContact CB-OD1 3.35Å; I888-N908 WeakPolarHBondContact CG1-OD1 3.19Å; I888-N908 PolarHBondContact N-OD1 3.46Å; L905-N908 PolarHBondContact O-ND2 3.13Å; L905-N908 VanDerWaalsContact O-ND2 3.11Å; E906-N908 PolarHBondContact O-N 3.24Å; E906-N908 PolarHBondContact O-ND2 3.22Å; N908-I910 HydrophobicContact CB-CD1 4.4Å; N908-I910 HydrophobicContact CB-CG1 4.35Å; N908-N929 PolarHBondContact N-O 3.02Å; N908-N930 WeakPolarHBondContact CA-OD1 3.44Å; N908-N930 WeakPolarHBondContact CB-OD1 3.47Å; N908-N930 PolarHBondContact O-OD1 3.28Å |
| 909 | L | 89.9 | Confident | 93.7 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 9% | 0.094 | 13% | 0.129 | C | C | . | . | trans | -117.5 | 20.8 | -175.8 | -59.4 | 176.8 | 0 | 0 | 0 | 112.9 | I888 E889 H911 N930 N931 Y1466 | I888-L909 CarbonylContact O-C 3.46Å; I888-L909 WeakPolarHBondContact O-CA 3.25Å; I888-L909 PolarHBondContact O-N 3.05Å; E889-L909 HydrophobicContact CG-CB 3.95Å; E889-L909 HydrophobicContact CG-CD1 4.42Å; L909-H911 PolarHBondContact O-CD2 3.03Å; L909-H911 PolarHBondContact O-N 3.48Å; L909-N930 PolarHBondContact N-OD1 3.25Å; L909-N931 PolarHBondContact O-ND2 2.88Å; L909-N931 VanDerWaalsContact O-ND2 3.1Å; L909-Y1466 HydrophobicContact CD2-CG 4.47Å | ||
| 910 | I | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -67 | 126.5 | -171 | -60.8 | 165.5 | 0 | 0 | 0 | 111.3 | I888 E889 I891 L905 N908 I912 L927 N930 N931 I932 | I888-I910 HydrophobicContact CG2-CG1 4.37Å; I888-I910 WeakPolarHBondContact O-CG1 3.3Å; I888-I910 PolarHBondContact O-N 3.37Å; E889-I910 WeakPolarHBondContact O-CA 3.29Å; I891-I910 HydrophobicContact CD1-CD1 4.31Å; I891-I910 HydrophobicContact CG1-CD1 3.84Å; I891-I910 HydrophobicContact CG1-CG1 4.49Å; I891-I910 HydrophobicContact CG1-CG2 4.27Å; L905-I910 HydrophobicContact CB-CD1 3.87Å; L905-I910 HydrophobicContact CD1-CD1 4.02Å; L905-I910 HydrophobicContact CD2-CD1 4.33Å; L905-I910 HydrophobicContact CG-CD1 4.32Å; N908-I910 HydrophobicContact CB-CD1 4.4Å; N908-I910 HydrophobicContact CB-CG1 4.35Å; I910-I912 VanDerWaalsContact CG2-O 3.3Å; I910-I912 WeakPolarHBondContact CG2-O 3.23Å; I910-L927 HydrophobicContact CD1-CD2 3.76Å; I910-N930 HydrophobicContact CB-CB 4.36Å; I910-N930 VanDerWaalsContact CB-OD1 3.28Å; I910-N930 WeakPolarHBondContact CB-OD1 3.34Å; I910-N930 WeakPolarHBondContact CG1-OD1 3.2Å; I910-N930 PolarHBondContact N-OD1 3.15Å; I910-N931 CarbonylContact O-C 3.54Å; I910-N931 WeakPolarHBondContact O-CA 3.39Å; I910-N931 WeakPolarHBondContact O-CB 3.05Å; I910-N931 PolarHBondContact O-N 3.19Å; I910-I932 HydrophobicContact CG2-CG1 4.33Å; I910-I932 WeakPolarHBondContact O-CG1 3.15Å; I910-I932 PolarHBondContact O-N 3.07Å | ||
| 911 | H | 91.3 | Very high | 93.6 | Very high | 83 Ų | 83 | 33.7 Ų | 33.7 | 38% | 0.384 | 16% | 0.162 | S | C | . | . | trans | -95 | -28.3 | -177 | -70.2 | -67.8 | 0 | 0 | 0 | 115 | L909 N931 I932 T933 | L909-H911 PolarHBondContact O-CD2 3.03Å; L909-H911 PolarHBondContact O-N 3.48Å; H911-N931 VanDerWaalsContact CE1-CB 3.46Å; H911-N931 WeakPolarHBondContact CE1-CB 3.49Å; H911-N931 PolarHBondContact CE1-ND2 3.32Å; H911-N931 WeakPolarHBondContact ND1-CB 3.48Å; H911-I932 WeakPolarHBondContact O-CA 3.43Å; H911-T933 PolarHBondContact O-N 2.63Å | ||
| 912 | I | 92.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 32.4 Ų | 32.4 | 41% | 0.41 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -145.2 | 137.8 | -174 | -61.2 | 177.5 | 0 | 0 | 0 | 107.3 | I910 E914 | I910-I912 VanDerWaalsContact CG2-O 3.3Å; I910-I912 WeakPolarHBondContact CG2-O 3.23Å; I912-E914 PolarHBondContact O-N 2.96Å |
| 913 | I | 93.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -78.8 | 114.2 | 170.4 | -52.1 | 177.7 | 0 | 0 | 0 | 107.2 | I916 L927 I932 Q939 F940 L951 | I913-I916 HydrophobicContact CG2-CD1 3.34Å; I913-I916 HydrophobicContact CG2-CG1 4.03Å; I913-L927 HydrophobicContact CD1-CD1 3.86Å; I913-L927 HydrophobicContact CG1-CD1 3.93Å; I913-L927 HydrophobicContact CG2-CD1 4.37Å; I913-I932 HydrophobicContact CD1-CD1 4.17Å; I913-I932 HydrophobicContact CD1-CG2 4.29Å; I913-I932 HydrophobicContact CG1-CD1 3.8Å; I913-I932 HydrophobicContact CG1-CG1 4.34Å; I913-I932 HydrophobicContact CG1-CG2 4.02Å; I913-Q939 WeakPolarHBondContact O-CG 3.39Å; I913-F940 HydrophobicContact CD1-CE2 4.15Å; I913-F940 HydrophobicContact CD1-CZ 3.92Å; I913-F940 HydrophobicContact CG2-CE2 4.13Å; I913-F940 HydrophobicContact CG2-CZ 4.3Å; I913-L951 HydrophobicContact CD1-CD2 3.77Å | ||
| 914 | E | 92.7 | Very high | 93.5 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 27% | 0.271 | 17% | 0.171 | S | C | . | . | trans | -146 | 165.8 | -179.2 | 62.7 | -174.6 | -176.6 | 0 | 0 | 111.3 | I891 I912 I916 | I891-E914 WeakPolarHBondContact CB-O 3.11Å; I912-E914 PolarHBondContact O-N 2.96Å; E914-I916 VanDerWaalsContact C-N 3.31Å; E914-I916 PolarHBondContact O-N 3.3Å | ||
| 915 | N | 92.4 | Very high | 93.5 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 34% | 0.337 | 17% | 0.171 | S | C | . | . | S | Bend | trans | 55 | 36.6 | 177.7 | -53.4 | -37.6 | 0 | 0 | 0 | 115.2 | I891 H918 Q939 | I891-N915 WeakPolarHBondContact O-CB 3.33Å; I891-N915 PolarHBondContact O-ND2 3.4Å; N915-H918 PolarHBondContact O-CE1 3.28Å; N915-Q939 VanDerWaalsContact N-OE1 3.17Å |
| 916 | I | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -120.3 | -9.9 | 175.8 | 61.3 | 167.5 | 0 | 0 | 0 | 113.6 | I891 I913 E914 H918 L919 L925 Q939 L943 | I891-I916 HydrophobicContact CD1-CG2 4.18Å; I891-I916 HydrophobicContact CG2-CG2 3.93Å; I913-I916 HydrophobicContact CG2-CD1 3.34Å; I913-I916 HydrophobicContact CG2-CG1 4.03Å; E914-I916 VanDerWaalsContact C-N 3.31Å; E914-I916 PolarHBondContact O-N 3.3Å; I916-H918 PolarHBondContact O-N 2.89Å; I916-L919 HydrophobicContact CB-CD1 4.22Å; I916-L919 HydrophobicContact CG2-CD1 4.17Å; I916-L919 WeakPolarHBondContact O-CB 3.22Å; I916-L919 PolarHBondContact O-N 3.41Å; I916-L925 HydrophobicContact CD1-CD2 3.79Å; I916-Q939 HydrophobicContact CG1-CB 4.1Å; I916-Q939 VanDerWaalsContact N-OE1 3.1Å; I916-L943 HydrophobicContact CD1-CD1 3.68Å; I916-L943 HydrophobicContact CG1-CD1 4.16Å | ||
| 917 | N | 92.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 32% | 0.316 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -20.2 | -177.4 | 67.2 | -36.2 | 0 | 0 | 0 | 115.5 | N942 | N917-N942 VanDerWaalsContact O-CB 3.31Å; N917-N942 WeakPolarHBondContact O-CB 3.45Å; N917-N942 PolarHBondContact O-ND2 3.44Å |
| 918 | H | 92.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 21% | 0.208 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -11 | 178.4 | 56.5 | -85.5 | 0 | 0 | 0 | 113.2 | L894 N915 I916 I920 | L894-H918 PolarHBondContact O-NE2 2.91Å; N915-H918 PolarHBondContact O-CE1 3.28Å; I916-H918 PolarHBondContact O-N 2.89Å; H918-I920 PolarHBondContact O-N 3.31Å |
| 919 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -80.6 | 61.6 | 179.2 | -54.9 | -179.7 | 0 | 0 | 0 | 111 | L900 L903 I916 K921 L922 L943 | L900-L919 HydrophobicContact CB-CD2 4.49Å; L900-L919 HydrophobicContact CD1-CD1 4.22Å; L900-L919 HydrophobicContact CD1-CD2 4.11Å; L903-L919 HydrophobicContact CD2-CD1 4.26Å; I916-L919 HydrophobicContact CB-CD1 4.22Å; I916-L919 HydrophobicContact CG2-CD1 4.17Å; I916-L919 WeakPolarHBondContact O-CB 3.22Å; I916-L919 PolarHBondContact O-N 3.41Å; L919-K921 PolarHBondContact O-N 3Å; L919-K921 VanDerWaalsContact O-N 3.13Å; L919-L922 HydrophobicContact CB-CB 4.13Å; L919-L922 WeakPolarHBondContact O-CB 3.48Å; L919-L922 PolarHBondContact O-N 2.81Å; L919-L943 WeakPolarHBondContact O-CD2 3.46Å | ||
| 920 | I | 92.7 | Very high | 94.2 | Very high | 91 Ų | 91 | 32.5 Ų | 32.5 | 47% | 0.467 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.9 | -171.3 | 58.2 | 170 | 0 | 0 | 0 | 114.7 | H918 N942 N945 | H918-I920 PolarHBondContact O-N 3.31Å; I920-N942 HydrophobicContact CG2-CB 4.36Å; I920-N945 PolarHBondContact O-ND2 3.04Å |
| 921 | K | 94.3 | Very high | 94.1 | Very high | 104 Ų | 104 | 32.8 Ų | 32.8 | 45% | 0.452 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2 | 176.9 | -64.2 | -171 | -175.1 | 176.1 | 0 | 113.4 | N899 L900 L919 E923 | N899-K921 PolarHBondContact OD1-NZ 3.41Å; L900-K921 CarbonylContact O-C 3.52Å; L900-K921 VanDerWaalsContact O-C 3.23Å; L919-K921 PolarHBondContact O-N 3Å; L919-K921 VanDerWaalsContact O-N 3.13Å; K921-E923 PolarHBondContact O-N 3.45Å |
| 922 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -65.5 | 120.8 | -176.4 | -165.9 | 73 | 0 | 0 | 0 | 110.6 | L900 L903 L919 L925 L943 N945 L946 | L900-L922 HydrophobicContact CB-CD1 4.45Å; L900-L922 WeakPolarHBondContact O-CA 3.4Å; L900-L922 PolarHBondContact O-N 3.23Å; L903-L922 HydrophobicContact CB-CD1 3.86Å; L919-L922 HydrophobicContact CB-CB 4.13Å; L919-L922 WeakPolarHBondContact O-CB 3.48Å; L919-L922 PolarHBondContact O-N 2.81Å; L922-L925 HydrophobicContact CD2-CB 4.15Å; L922-L925 HydrophobicContact CD2-CD1 4.29Å; L922-L943 HydrophobicContact CB-CD2 4.5Å; L922-N945 CarbonylContact O-C 3.42Å; L922-L946 HydrophobicContact CB-CD1 4.39Å; L922-L946 HydrophobicContact CD2-CD1 3.97Å; L922-L946 HydrophobicContact CG-CD1 3.96Å; L922-L946 WeakPolarHBondContact O-CA 3.24Å; L922-L946 PolarHBondContact O-N 2.8Å | ||
| 923 | E | 95.2 | Very high | 94.3 | Very high | 64 Ų | 64 | 28 Ų | 28 | 30% | 0.299 | 14% | 0.141 | S | C | . | . | trans | -104.7 | -30.2 | 175.8 | -63.4 | -162.1 | 175.9 | 0 | 0 | 112.1 | I901 K921 N945 R947 I948 | I901-E923 HydrophobicContact CG2-CB 4.12Å; I901-E923 HydrophobicContact CG2-CG 4.11Å; I901-E923 PolarHBondContact O-N 3.2Å; K921-E923 PolarHBondContact O-N 3.45Å; E923-N945 HydrophobicContact CG-CB 4.48Å; E923-R947 VanDerWaalsContact CD-NH1 3.32Å; E923-R947 PolarHBondContact O-N 3.03Å; E923-R947 IonicContact OE1-CZ 3.88Å; E923-R947 IonicContact OE1-NH1 3.2Å; E923-R947 PolarHBondContact OE1-NH1 2.81Å; E923-R947 IonicContact OE1-NH2 2.81Å; E923-R947 IonicContact OE2-CZ 3.93Å; E923-R947 IonicContact OE2-NE 2.74Å; E923-R947 IonicContact OE2-NH1 3.44Å; E923-R947 PolarHBondContact OE2-NH1 3.04Å; E923-I948 PolarHBondContact O-N 2.88Å | ||
| 924 | C | 95.8 | Very high | 94 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 5% | 0.054 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122.5 | -174.1 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | I901 E902 L903 I948 | I901-C924 PolarHBondContact O-N 3.27Å; E902-C924 WeakPolarHBondContact CA-O 3.35Å; E902-C924 HydrophobicContact CB-CB 4.12Å; E902-C924 HydrophobicContact CG-CB 3.87Å; E902-C924 PolarHBondContact OE2-SG 3.26Å; L903-C924 PolarHBondContact N-O 2.91Å; C924-I948 HydrophobicContact CB-CB 4.47Å |
| 925 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 112.1 | 177.3 | 179.1 | 62.3 | 0 | 0 | 0 | 110.2 | L903 I916 L922 L927 L946 I948 I949 S950 | L903-L925 HydrophobicContact CB-CD1 4.28Å; L903-L925 HydrophobicContact CD2-CD1 4.2Å; L903-L925 HydrophobicContact CG-CD1 4.37Å; I916-L925 HydrophobicContact CD1-CD2 3.79Å; L922-L925 HydrophobicContact CD2-CB 4.15Å; L922-L925 HydrophobicContact CD2-CD1 4.29Å; L925-L927 HydrophobicContact CD1-CD1 3.86Å; L925-L927 HydrophobicContact CD1-CG 4Å; L925-L927 HydrophobicContact CD2-CD1 3.79Å; L925-L927 HydrophobicContact CG-CD1 3.76Å; L925-L927 HydrophobicContact CG-CG 4.13Å; L925-L946 HydrophobicContact CB-CD1 4Å; L925-I948 PolarHBondContact N-O 2.8Å; L925-I949 WeakPolarHBondContact O-CA 3.44Å; L925-S950 PolarHBondContact O-N 2.87Å |
| 926 | L | 97.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113.2 | -177.6 | -49.3 | 175.9 | 0 | 0 | 0 | 109.8 | P827 L903 L905 E906 I948 | P827-L926 HydrophobicContact CG-CD1 4.14Å; L903-L926 PolarHBondContact O-N 3.38Å; L905-L926 PolarHBondContact N-O 3.17Å; E906-L926 HydrophobicContact CG-CB 3.72Å; L926-I948 HydrophobicContact CD2-CG2 4.43Å |
| 927 | L | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -134.2 | 21.6 | -173.1 | -77.3 | 169.3 | 0 | 0 | 0 | 112 | I891 L905 I910 I913 L925 N930 I932 S950 L951 N954 | I891-L927 HydrophobicContact CD1-CD2 4.11Å; L905-L927 HydrophobicContact CB-CD2 3.73Å; L905-L927 HydrophobicContact CD1-CD2 4.19Å; I910-L927 HydrophobicContact CD1-CD2 3.76Å; I913-L927 HydrophobicContact CD1-CD1 3.86Å; I913-L927 HydrophobicContact CG1-CD1 3.93Å; I913-L927 HydrophobicContact CG2-CD1 4.37Å; L925-L927 HydrophobicContact CD1-CD1 3.86Å; L925-L927 HydrophobicContact CD1-CG 4Å; L925-L927 HydrophobicContact CD2-CD1 3.79Å; L925-L927 HydrophobicContact CG-CD1 3.76Å; L925-L927 HydrophobicContact CG-CG 4.13Å; L927-N930 PolarHBondContact O-ND2 3.18Å; L927-I932 HydrophobicContact CB-CD1 3.91Å; L927-I932 HydrophobicContact CD1-CD1 4.12Å; L927-I932 HydrophobicContact CD2-CD1 4.43Å; L927-I932 HydrophobicContact CG-CD1 4.41Å; L927-S950 CarbonylContact C-O 3.35Å; L927-S950 WeakPolarHBondContact CA-O 3.3Å; L927-S950 PolarHBondContact N-O 3.27Å; L927-L951 HydrophobicContact CB-CD2 3.86Å; L927-L951 HydrophobicContact CD1-CD2 4.2Å; L927-N954 PolarHBondContact O-ND2 3.26Å | ||
| 928 | S | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -62.2 | 155.1 | 177.6 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | E906 Y907 N930 S950 R952 | E906-S928 CarbonylContact C-O 3.2Å; E906-S928 WeakPolarHBondContact CA-O 3.41Å; E906-S928 WeakPolarHBondContact OE1-CB 3.4Å; Y907-S928 PolarHBondContact N-O 2.88Å; S928-N930 PolarHBondContact O-ND2 3Å; S928-N930 VanDerWaalsContact O-ND2 3.09Å; S928-S950 PolarHBondContact N-O 2.84Å; S928-S950 PolarHBondContact OG-OG 3.27Å; S928-R952 CarbonylContact C-O 3.33Å; S928-R952 VanDerWaalsContact CA-O 3.24Å; S928-R952 WeakPolarHBondContact CA-O 3.37Å; S928-R952 PolarHBondContact OG-N 2.92Å | ||
| 929 | N | 92.9 | Very high | 91.7 | Very high | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 56.7 | 53.9 | 178.9 | -65.6 | -83.2 | 0 | 0 | 0 | 113 | E262 Y907 N908 R952 N953 | E262-N929 PolarHBondContact OE1-ND2 2.99Å; E262-N929 PolarHBondContact OE1-OD1 3.32Å; Y907-N929 VanDerWaalsContact CA-O 3.25Å; Y907-N929 WeakPolarHBondContact CA-O 3.36Å; Y907-N929 HydrophobicContact CD1-CB 3.42Å; Y907-N929 VanDerWaalsContact CD1-CB 3.42Å; Y907-N929 HydrophobicContact CD2-CB 4.25Å; Y907-N929 HydrophobicContact CE1-CB 3.69Å; Y907-N929 VanDerWaalsContact CE1-ND2 3.3Å; Y907-N929 WeakPolarHBondContact CE1-ND2 3.05Å; Y907-N929 HydrophobicContact CE2-CB 4.47Å; Y907-N929 HydrophobicContact CG-CB 3.72Å; Y907-N929 PolarHBondContact N-O 2.85Å; Y907-N929 PolarHBondContact OH-ND2 3.49Å; N908-N929 PolarHBondContact N-O 3.02Å; N929-R952 PolarHBondContact N-O 2.82Å; N929-N953 PolarHBondContact OD1-ND2 2.88Å |
| 930 | N | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -129.3 | -165.8 | 177.2 | -86.4 | -81.2 | 0 | 0 | 0 | 110.4 | L905 N908 L909 I910 L927 S928 I932 N954 Y1466 | L905-N930 PolarHBondContact O-ND2 3.5Å; N908-N930 WeakPolarHBondContact CA-OD1 3.44Å; N908-N930 WeakPolarHBondContact CB-OD1 3.47Å; N908-N930 PolarHBondContact O-OD1 3.28Å; L909-N930 PolarHBondContact N-OD1 3.25Å; I910-N930 HydrophobicContact CB-CB 4.36Å; I910-N930 VanDerWaalsContact CB-OD1 3.28Å; I910-N930 WeakPolarHBondContact CB-OD1 3.34Å; I910-N930 WeakPolarHBondContact CG1-OD1 3.2Å; I910-N930 PolarHBondContact N-OD1 3.15Å; L927-N930 PolarHBondContact O-ND2 3.18Å; S928-N930 PolarHBondContact O-ND2 3Å; S928-N930 VanDerWaalsContact O-ND2 3.09Å; N930-I932 HydrophobicContact CB-CD1 4.19Å; N930-I932 HydrophobicContact CB-CG1 4.16Å; N930-N954 WeakPolarHBondContact CA-OD1 3.29Å; N930-N954 VanDerWaalsContact CB-OD1 3.24Å; N930-N954 WeakPolarHBondContact CB-OD1 3.35Å; N930-N954 PolarHBondContact O-OD1 2.93Å; N930-Y1466 PolarHBondContact O-OH 3.12Å |
| 931 | N | 92.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | trans | -114 | 22.8 | -173.9 | -50.6 | -12 | 0 | 0 | 0 | 112.6 | L909 I910 H911 T933 N954 Y1466 | L909-N931 PolarHBondContact O-ND2 2.88Å; L909-N931 VanDerWaalsContact O-ND2 3.1Å; I910-N931 CarbonylContact O-C 3.54Å; I910-N931 WeakPolarHBondContact O-CA 3.39Å; I910-N931 WeakPolarHBondContact O-CB 3.05Å; I910-N931 PolarHBondContact O-N 3.19Å; H911-N931 VanDerWaalsContact CE1-CB 3.46Å; H911-N931 WeakPolarHBondContact CE1-CB 3.49Å; H911-N931 PolarHBondContact CE1-ND2 3.32Å; H911-N931 WeakPolarHBondContact ND1-CB 3.48Å; N931-T933 PolarHBondContact O-N 3.11Å; N931-N954 PolarHBondContact N-OD1 3.42Å; N931-Y1466 VanDerWaalsContact CA-OH 3.3Å; N931-Y1466 WeakPolarHBondContact CA-OH 3.29Å; N931-Y1466 HydrophobicContact CB-CE2 3.93Å; N931-Y1466 WeakPolarHBondContact ND2-CE2 3.37Å; N931-Y1466 VanDerWaalsContact OD1-CD1 3.29Å; N931-Y1466 WeakPolarHBondContact OD1-CD1 3.39Å; N931-Y1466 VanDerWaalsContact OD1-CD2 3.3Å; N931-Y1466 WeakPolarHBondContact OD1-CD2 3.43Å; N931-Y1466 WeakPolarHBondContact OD1-CE1 3.45Å; N931-Y1466 WeakPolarHBondContact OD1-CE2 3.49Å; N931-Y1466 PolarHBondContact OD1-OH 2.61Å; N931-Y1466 VanDerWaalsContact OD1-OH 3.11Å | ||
| 932 | I | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -72.2 | 125.9 | -169.8 | -58.2 | 164.9 | 0 | 0 | 0 | 109.9 | I910 H911 I913 L927 N930 L951 N954 K955 I956 | I910-I932 HydrophobicContact CG2-CG1 4.33Å; I910-I932 WeakPolarHBondContact O-CG1 3.15Å; I910-I932 PolarHBondContact O-N 3.07Å; H911-I932 WeakPolarHBondContact O-CA 3.43Å; I913-I932 HydrophobicContact CD1-CD1 4.17Å; I913-I932 HydrophobicContact CD1-CG2 4.29Å; I913-I932 HydrophobicContact CG1-CD1 3.8Å; I913-I932 HydrophobicContact CG1-CG1 4.34Å; I913-I932 HydrophobicContact CG1-CG2 4.02Å; L927-I932 HydrophobicContact CB-CD1 3.91Å; L927-I932 HydrophobicContact CD1-CD1 4.12Å; L927-I932 HydrophobicContact CD2-CD1 4.43Å; L927-I932 HydrophobicContact CG-CD1 4.41Å; N930-I932 HydrophobicContact CB-CD1 4.19Å; N930-I932 HydrophobicContact CB-CG1 4.16Å; I932-L951 HydrophobicContact CD1-CD2 3.93Å; I932-N954 HydrophobicContact CB-CB 4.28Å; I932-N954 VanDerWaalsContact CB-OD1 3.22Å; I932-N954 WeakPolarHBondContact CB-OD1 3.32Å; I932-N954 WeakPolarHBondContact CG1-OD1 3.33Å; I932-N954 PolarHBondContact N-OD1 3.22Å; I932-K955 CarbonylContact O-C 3.48Å; I932-K955 VanDerWaalsContact O-C 3.28Å; I932-K955 VanDerWaalsContact O-CA 3.31Å; I932-K955 WeakPolarHBondContact O-CA 3.4Å; I932-K955 PolarHBondContact O-N 2.91Å; I932-I956 HydrophobicContact CG2-CD1 4.24Å; I932-I956 HydrophobicContact CG2-CG1 4.13Å; I932-I956 PolarHBondContact O-N 3.11Å | ||
| 933 | T | 92.2 | Very high | 90.2 | Very high | 61 Ų | 61 | 36.9 Ų | 36.9 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | trans | -108.4 | -25.6 | -179.5 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | H911 N931 K955 | H911-T933 PolarHBondContact O-N 2.63Å; N931-T933 PolarHBondContact O-N 3.11Å; T933-K955 WeakPolarHBondContact CA-O 3.38Å; T933-K955 HydrophobicContact CG2-CB 3.88Å | ||
| 934 | K | 86.9 | Confident | 89.9 | Confident | 153 Ų | 153 | 38.7 Ų | 38.7 | 67% | 0.665 | 20% | 0.196 | S | C | * | . | trans | -147 | 145.2 | -173.3 | -64.8 | -177.8 | -177.7 | 176.9 | 0 | 110.5 | ||||
| 935 | I | 85.1 | Confident | 89.7 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | trans | -98.1 | 129.5 | 170.9 | -58.9 | -176.5 | 0 | 0 | 0 | 107.5 | F940 L951 I956 I959 F961 I962 | I935-F940 HydrophobicContact CG2-CD2 3.63Å; I935-F940 HydrophobicContact CG2-CE2 3.38Å; I935-F940 HydrophobicContact CG2-CZ 4.05Å; I935-L951 HydrophobicContact CD1-CD1 3.93Å; I935-I956 HydrophobicContact CD1-CD1 4.39Å; I935-I956 HydrophobicContact CD1-CG2 4.43Å; I935-I956 HydrophobicContact CG1-CD1 4.43Å; I935-I956 HydrophobicContact CG1-CG2 4.46Å; I935-I959 HydrophobicContact CD1-CB 4.39Å; I935-I959 HydrophobicContact CD1-CG2 4.03Å; I935-F961 HydrophobicContact CG2-CB 4.41Å; I935-F961 VanDerWaalsContact O-CD2 3.27Å; I935-F961 WeakPolarHBondContact O-CD2 3.39Å; I935-I962 HydrophobicContact CD1-CD1 3.65Å; I935-I962 HydrophobicContact CD1-CG1 3.78Å | ||
| 936 | N | 81.6 | Confident | 89.6 | Confident | 68 Ų | 68 | 42.1 Ų | 42.1 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | trans | -100 | 128.6 | -179.9 | -176.8 | -8.2 | 0 | 0 | 0 | 110.8 | L938 Q939 | N936-L938 VanDerWaalsContact C-N 3.3Å; N936-L938 PolarHBondContact O-N 3.25Å; N936-L938 PolarHBondContact OD1-N 2.99Å; N936-Q939 HydrophobicContact CB-CG 4.38Å; N936-Q939 PolarHBondContact O-N 3.22Å | ||
| 937 | K | 79.9 | Confident | 89.5 | Confident | 95 Ų | 95 | 45.5 Ų | 45.5 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -49.1 | -47.1 | 178.2 | -171.2 | 178.2 | 178.6 | -178.1 | 0 | 113.3 | Q939 F940 N941 F961 | K937-Q939 PolarHBondContact O-N 3.05Å; K937-Q939 VanDerWaalsContact O-N 3.11Å; K937-F940 PolarHBondContact O-N 2.89Å; K937-N941 PolarHBondContact O-N 2.77Å; K937-N941 PolarHBondContact O-OD1 2.96Å; K937-F961 HydrophobicContact CB-CB 4.49Å; K937-F961 HydrophobicContact CB-CD1 3.56Å; K937-F961 HydrophobicContact CB-CD2 4.03Å; K937-F961 HydrophobicContact CB-CE1 3.63Å; K937-F961 HydrophobicContact CB-CE2 4.07Å; K937-F961 HydrophobicContact CB-CG 3.76Å; K937-F961 HydrophobicContact CB-CZ 3.87Å; K937-F961 HydrophobicContact CD-CD1 4.06Å; K937-F961 HydrophobicContact CD-CE1 3.9Å; K937-F961 HydrophobicContact CG-CD1 3.68Å; K937-F961 HydrophobicContact CG-CE1 3.93Å; K937-F961 HydrophobicContact CG-CG 4.23Å |
| 938 | L | 83.5 | Confident | 89.4 | Confident | 112 Ų | 112 | 46.6 Ų | 46.6 | 59% | 0.586 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.2 | -26.6 | -171.6 | -67.9 | 174.2 | 0 | 0 | 0 | 113.2 | N936 | N936-L938 VanDerWaalsContact C-N 3.3Å; N936-L938 PolarHBondContact O-N 3.25Å; N936-L938 PolarHBondContact OD1-N 2.99Å |
| 939 | Q | 87.1 | Confident | 89.4 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -80.3 | -29.5 | -177.4 | -60.9 | -60.8 | -28.1 | 0 | 0 | 113 | I913 N915 I916 N936 K937 L943 | I913-Q939 WeakPolarHBondContact O-CG 3.39Å; N915-Q939 VanDerWaalsContact N-OE1 3.17Å; I916-Q939 HydrophobicContact CG1-CB 4.1Å; I916-Q939 VanDerWaalsContact N-OE1 3.1Å; N936-Q939 HydrophobicContact CB-CG 4.38Å; N936-Q939 PolarHBondContact O-N 3.22Å; K937-Q939 PolarHBondContact O-N 3.05Å; K937-Q939 VanDerWaalsContact O-N 3.11Å; Q939-L943 WeakPolarHBondContact O-CD1 3.48Å |
| 940 | F | 86.3 | Confident | 89.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -96.5 | -6.3 | -175.7 | -72.4 | -92.8 | 0 | 0 | 0 | 113.9 | I913 I935 K937 N942 L943 L946 I949 | I913-F940 HydrophobicContact CD1-CE2 4.15Å; I913-F940 HydrophobicContact CD1-CZ 3.92Å; I913-F940 HydrophobicContact CG2-CE2 4.13Å; I913-F940 HydrophobicContact CG2-CZ 4.3Å; I935-F940 HydrophobicContact CG2-CD2 3.63Å; I935-F940 HydrophobicContact CG2-CE2 3.38Å; I935-F940 HydrophobicContact CG2-CZ 4.05Å; K937-F940 PolarHBondContact O-N 2.89Å; F940-N942 VanDerWaalsContact C-N 3.3Å; F940-N942 PolarHBondContact O-N 3.33Å; F940-L943 HydrophobicContact CD1-CD1 4.11Å; F940-L943 HydrophobicContact CE1-CD1 4.44Å; F940-L943 PolarHBondContact O-N 3.18Å; F940-L946 HydrophobicContact CD1-CD2 4.27Å; F940-L946 HydrophobicContact CE1-CD2 4.08Å; F940-I949 HydrophobicContact CE1-CD1 4.13Å |
| 941 | N | 83.2 | Confident | 89.7 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -36.2 | -176.6 | -78 | -11.8 | 0 | 0 | 0 | 113.9 | K937 N964 | K937-N941 PolarHBondContact O-N 2.77Å; K937-N941 PolarHBondContact O-OD1 2.96Å; N941-N964 PolarHBondContact OD1-ND2 3.43Å |
| 942 | N | 85.3 | Confident | 89.9 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -0.9 | -174 | -65.3 | -11 | 0 | 0 | 0 | 113.4 | N917 I920 F940 L944 | N917-N942 VanDerWaalsContact O-CB 3.31Å; N917-N942 WeakPolarHBondContact O-CB 3.45Å; N917-N942 PolarHBondContact O-ND2 3.44Å; I920-N942 HydrophobicContact CG2-CB 4.36Å; F940-N942 VanDerWaalsContact C-N 3.3Å; F940-N942 PolarHBondContact O-N 3.33Å; N942-L944 PolarHBondContact O-N 2.92Å |
| 943 | L | 90.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -85.8 | 54.1 | -176.6 | -59.8 | -179.5 | 0 | 0 | 0 | 111.2 | I916 L919 L922 Q939 F940 N945 L946 | I916-L943 HydrophobicContact CD1-CD1 3.68Å; I916-L943 HydrophobicContact CG1-CD1 4.16Å; L919-L943 WeakPolarHBondContact O-CD2 3.46Å; L922-L943 HydrophobicContact CB-CD2 4.5Å; Q939-L943 WeakPolarHBondContact O-CD1 3.48Å; F940-L943 HydrophobicContact CD1-CD1 4.11Å; F940-L943 HydrophobicContact CE1-CD1 4.44Å; F940-L943 PolarHBondContact O-N 3.18Å; L943-N945 VanDerWaalsContact C-N 3.25Å; L943-N945 PolarHBondContact O-N 3.21Å; L943-L946 HydrophobicContact CB-CB 4.23Å; L943-L946 HydrophobicContact CB-CD2 4.23Å; L943-L946 HydrophobicContact CD1-CD2 4.17Å; L943-L946 VanDerWaalsContact O-CB 3.32Å; L943-L946 WeakPolarHBondContact O-CB 3.38Å; L943-L946 PolarHBondContact O-N 3.4Å | ||
| 944 | L | 89 | Confident | 89.9 | Confident | 103 Ų | 103 | 45.4 Ų | 45.4 | 54% | 0.539 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.4 | -173.4 | -60 | 176.4 | 0 | 0 | 0 | 113.2 | N942 S967 | N942-L944 PolarHBondContact O-N 2.92Å; L944-S967 WeakPolarHBondContact O-CB 3.2Å; L944-S967 PolarHBondContact O-OG 3.25Å |
| 945 | N | 92 | Very high | 90.3 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3 | 179.5 | -66.3 | -38.4 | 0 | 0 | 0 | 113.4 | I920 L922 E923 L943 R947 | I920-N945 PolarHBondContact O-ND2 3.04Å; L922-N945 CarbonylContact O-C 3.42Å; E923-N945 HydrophobicContact CG-CB 4.48Å; L943-N945 VanDerWaalsContact C-N 3.25Å; L943-N945 PolarHBondContact O-N 3.21Å; N945-R947 PolarHBondContact O-N 3.42Å |
| 946 | L | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -67 | 118.7 | -175 | -155.5 | 67.3 | 0 | 0 | 0 | 110.4 | L922 L925 F940 L943 I949 S967 L968 | L922-L946 HydrophobicContact CB-CD1 4.39Å; L922-L946 HydrophobicContact CD2-CD1 3.97Å; L922-L946 HydrophobicContact CG-CD1 3.96Å; L922-L946 WeakPolarHBondContact O-CA 3.24Å; L922-L946 PolarHBondContact O-N 2.8Å; L925-L946 HydrophobicContact CB-CD1 4Å; F940-L946 HydrophobicContact CD1-CD2 4.27Å; F940-L946 HydrophobicContact CE1-CD2 4.08Å; L943-L946 HydrophobicContact CB-CB 4.23Å; L943-L946 HydrophobicContact CB-CD2 4.23Å; L943-L946 HydrophobicContact CD1-CD2 4.17Å; L943-L946 VanDerWaalsContact O-CB 3.32Å; L943-L946 WeakPolarHBondContact O-CB 3.38Å; L943-L946 PolarHBondContact O-N 3.4Å; L946-I949 HydrophobicContact CD2-CD1 3.51Å; L946-I949 HydrophobicContact CD2-CG1 3.52Å; L946-I949 HydrophobicContact CG-CD1 4.25Å; L946-I949 HydrophobicContact CG-CG1 3.89Å; L946-S967 CarbonylContact O-C 3.35Å; L946-S967 VanDerWaalsContact O-C 3.28Å; L946-L968 WeakPolarHBondContact O-CA 3.44Å; L946-L968 PolarHBondContact O-N 3.38Å | ||
| 947 | R | 94.7 | Very high | 91.3 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 31% | 0.306 | 21% | 0.208 | S | C | . | . | trans | -107.9 | -33.9 | -177.6 | -72.3 | 175.7 | 177.1 | 156.5 | 6.1 | 112.4 | E923 N945 L968 I969 E970 | E923-R947 VanDerWaalsContact CD-NH1 3.32Å; E923-R947 PolarHBondContact O-N 3.03Å; E923-R947 IonicContact OE1-CZ 3.88Å; E923-R947 IonicContact OE1-NH1 3.2Å; E923-R947 PolarHBondContact OE1-NH1 2.81Å; E923-R947 IonicContact OE1-NH2 2.81Å; E923-R947 IonicContact OE2-CZ 3.93Å; E923-R947 IonicContact OE2-NE 2.74Å; E923-R947 IonicContact OE2-NH1 3.44Å; E923-R947 PolarHBondContact OE2-NH1 3.04Å; N945-R947 PolarHBondContact O-N 3.42Å; R947-L968 WeakPolarHBondContact O-CD1 3.38Å; R947-I969 HydrophobicContact CB-CD1 4.36Å; R947-I969 HydrophobicContact CB-CG1 4.49Å; R947-I969 HydrophobicContact CG-CD1 4.17Å; R947-I969 PolarHBondContact O-N 3.4Å; R947-E970 PolarHBondContact O-N 3.34Å | ||
| 948 | I | 95.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.9 | -173.5 | -54.3 | 178.9 | 0 | 0 | 0 | 108.8 | E923 C924 L925 L926 E970 Y972 | E923-I948 PolarHBondContact O-N 2.88Å; C924-I948 HydrophobicContact CB-CB 4.47Å; L925-I948 PolarHBondContact N-O 2.8Å; L926-I948 HydrophobicContact CD2-CG2 4.43Å; I948-E970 HydrophobicContact CB-CB 4.43Å; I948-E970 HydrophobicContact CG1-CB 4.13Å; I948-E970 HydrophobicContact CG1-CG 4.16Å; I948-E970 HydrophobicContact CG2-CB 4.14Å; I948-Y972 HydrophobicContact CG2-CE2 4.32Å |
| 949 | I | 96 | Very high | 92 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.5 | 172.8 | -61.7 | 171.5 | 0 | 0 | 0 | 108.3 | L925 F940 L946 L951 L968 E970 L971 Y972 | L925-I949 WeakPolarHBondContact O-CA 3.44Å; F940-I949 HydrophobicContact CE1-CD1 4.13Å; L946-I949 HydrophobicContact CD2-CD1 3.51Å; L946-I949 HydrophobicContact CD2-CG1 3.52Å; L946-I949 HydrophobicContact CG-CD1 4.25Å; L946-I949 HydrophobicContact CG-CG1 3.89Å; I949-L951 HydrophobicContact CG2-CD1 3.53Å; I949-L951 HydrophobicContact CG2-CG 3.62Å; I949-L968 HydrophobicContact CB-CD1 4.16Å; I949-L968 HydrophobicContact CD1-CD1 3.55Å; I949-L968 HydrophobicContact CD1-CD2 4.28Å; I949-L968 HydrophobicContact CG1-CD1 3.58Å; I949-E970 PolarHBondContact N-O 3.36Å; I949-E970 VanDerWaalsContact N-O 3.07Å; I949-L971 HydrophobicContact CB-CD1 4.04Å; I949-L971 HydrophobicContact CG2-CD1 4.13Å; I949-Y972 PolarHBondContact O-N 3.17Å |
| 950 | S | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.2 | 169.9 | -158.6 | 0 | 0 | 0 | 0 | 110.1 | E255 L925 L927 S928 | E255-S950 VanDerWaalsContact OE1-CB 3.31Å; E255-S950 WeakPolarHBondContact OE1-CB 3.46Å; E255-S950 PolarHBondContact OE1-OG 3.1Å; L925-S950 PolarHBondContact O-N 2.87Å; L927-S950 CarbonylContact C-O 3.35Å; L927-S950 WeakPolarHBondContact CA-O 3.3Å; L927-S950 PolarHBondContact N-O 3.27Å; S928-S950 PolarHBondContact N-O 2.84Å; S928-S950 PolarHBondContact OG-OG 3.27Å |
| 951 | L | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -128.6 | 25.4 | -177.9 | -72.9 | 168.1 | 0 | 0 | 0 | 111.2 | I913 L927 I932 I935 I949 N954 I956 Y972 L973 N976 | I913-L951 HydrophobicContact CD1-CD2 3.77Å; L927-L951 HydrophobicContact CB-CD2 3.86Å; L927-L951 HydrophobicContact CD1-CD2 4.2Å; I932-L951 HydrophobicContact CD1-CD2 3.93Å; I935-L951 HydrophobicContact CD1-CD1 3.93Å; I949-L951 HydrophobicContact CG2-CD1 3.53Å; I949-L951 HydrophobicContact CG2-CG 3.62Å; L951-N954 PolarHBondContact O-ND2 2.91Å; L951-I956 HydrophobicContact CB-CD1 3.86Å; L951-I956 HydrophobicContact CD1-CD1 3.88Å; L951-I956 HydrophobicContact CD2-CD1 4.15Å; L951-I956 HydrophobicContact CG-CD1 4.19Å; L951-Y972 PolarHBondContact N-O 2.87Å; L951-L973 HydrophobicContact CB-CD2 4.06Å; L951-L973 HydrophobicContact CD1-CD2 4.27Å; L951-N976 PolarHBondContact O-ND2 3.11Å | ||
| 952 | R | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -64.6 | 156.6 | -176.3 | -54.6 | -179.1 | -51.5 | 82.3 | 13.2 | 111.4 | E255 T259 E262 S928 N929 N954 G974 E997 | E255-R952 IonicContact OE2-CZ 2.85Å; E255-R952 IonicContact OE2-NE 2.65Å; E255-R952 PolarHBondContact OE2-NE 3.23Å; E255-R952 IonicContact OE2-NH2 2.96Å; E255-R952 PolarHBondContact OE2-NH2 3.11Å; T259-R952 WeakPolarHBondContact OG1-CD 3.46Å; T259-R952 PolarHBondContact OG1-NH1 3.22Å; E262-R952 IonicContact OE1-CZ 3.47Å; E262-R952 IonicContact OE1-NH1 2.73Å; E262-R952 PolarHBondContact OE1-NH1 3.06Å; E262-R952 IonicContact OE1-NH2 3.84Å; E262-R952 PolarHBondContact OE1-NH2 3.09Å; E262-R952 IonicContact OE2-CZ 2.64Å; E262-R952 IonicContact OE2-NH1 3.49Å; E262-R952 PolarHBondContact OE2-NH1 3.07Å; S928-R952 CarbonylContact C-O 3.33Å; S928-R952 VanDerWaalsContact CA-O 3.24Å; S928-R952 WeakPolarHBondContact CA-O 3.37Å; S928-R952 PolarHBondContact OG-N 2.92Å; N929-R952 PolarHBondContact N-O 2.82Å; R952-N954 VanDerWaalsContact C-N 3.32Å; R952-N954 PolarHBondContact O-N 2.98Å; R952-N954 PolarHBondContact O-ND2 3.43Å; R952-G974 CarbonylContact C-O 3.49Å; R952-G974 VanDerWaalsContact CA-O 3.23Å; R952-G974 WeakPolarHBondContact CA-O 3.45Å; R952-E997 WeakPolarHBondContact CD-OE2 3.21Å; R952-E997 WeakPolarHBondContact CG-OE2 3.48Å | ||
| 953 | N | 94.1 | Very high | 91.9 | Very high | 53 Ų | 53 | 40 Ų | 40 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 48.2 | 53.6 | 176.7 | -161.9 | 23.7 | 0 | 0 | 0 | 113.3 | E262 N929 G974 N975 | E262-N953 VanDerWaalsContact OE2-CB 3.24Å; E262-N953 WeakPolarHBondContact OE2-CB 3.12Å; N929-N953 PolarHBondContact OD1-ND2 2.88Å; N953-G974 PolarHBondContact N-O 2.89Å; N953-N975 WeakPolarHBondContact CA-O 3.33Å; N953-N975 HydrophobicContact CB-CB 4.08Å |
| 954 | N | 95.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.043 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -122.1 | -162.1 | 174.5 | -85.9 | -80.8 | 0 | 0 | 0 | 108.8 | L927 N930 N931 I932 L951 R952 I956 N975 N976 | L927-N954 PolarHBondContact O-ND2 3.26Å; N930-N954 WeakPolarHBondContact CA-OD1 3.29Å; N930-N954 VanDerWaalsContact CB-OD1 3.24Å; N930-N954 WeakPolarHBondContact CB-OD1 3.35Å; N930-N954 PolarHBondContact O-OD1 2.93Å; N931-N954 PolarHBondContact N-OD1 3.42Å; I932-N954 HydrophobicContact CB-CB 4.28Å; I932-N954 VanDerWaalsContact CB-OD1 3.22Å; I932-N954 WeakPolarHBondContact CB-OD1 3.32Å; I932-N954 WeakPolarHBondContact CG1-OD1 3.33Å; I932-N954 PolarHBondContact N-OD1 3.22Å; L951-N954 PolarHBondContact O-ND2 2.91Å; R952-N954 VanDerWaalsContact C-N 3.32Å; R952-N954 PolarHBondContact O-N 2.98Å; R952-N954 PolarHBondContact O-ND2 3.43Å; N954-I956 HydrophobicContact CB-CD1 4.3Å; N954-I956 HydrophobicContact CB-CG1 4.16Å; N954-N975 PolarHBondContact N-O 3.07Å; N954-N976 VanDerWaalsContact CB-OD1 3.3Å; N954-N976 WeakPolarHBondContact CB-OD1 3.45Å; N954-N976 PolarHBondContact O-OD1 3.21Å |
| 955 | K | 94.6 | Very high | 91.7 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | trans | -124.4 | 32.7 | -177.4 | -68.9 | 174 | 175.4 | 160.1 | 0 | 111.8 | I932 T933 N976 Y1466 | I932-K955 CarbonylContact O-C 3.48Å; I932-K955 VanDerWaalsContact O-C 3.28Å; I932-K955 VanDerWaalsContact O-CA 3.31Å; I932-K955 WeakPolarHBondContact O-CA 3.4Å; I932-K955 PolarHBondContact O-N 2.91Å; T933-K955 WeakPolarHBondContact CA-O 3.38Å; T933-K955 HydrophobicContact CG2-CB 3.88Å; K955-N976 PolarHBondContact N-OD1 2.98Å; K955-Y1466 WeakPolarHBondContact CD-OH 3.43Å; K955-Y1466 WeakPolarHBondContact CE-OH 3.4Å; K955-Y1466 VanDerWaalsContact NZ-CZ 3.31Å; K955-Y1466 PolarHBondContact NZ-OH 3.05Å | ||
| 956 | I | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -76 | 129.2 | -172.8 | -58.9 | 172.9 | 0 | 0 | 0 | 110 | I932 I935 L951 N954 K958 I959 N976 Q977 L978 | I932-I956 HydrophobicContact CG2-CD1 4.24Å; I932-I956 HydrophobicContact CG2-CG1 4.13Å; I932-I956 PolarHBondContact O-N 3.11Å; I935-I956 HydrophobicContact CD1-CD1 4.39Å; I935-I956 HydrophobicContact CD1-CG2 4.43Å; I935-I956 HydrophobicContact CG1-CD1 4.43Å; I935-I956 HydrophobicContact CG1-CG2 4.46Å; L951-I956 HydrophobicContact CB-CD1 3.86Å; L951-I956 HydrophobicContact CD1-CD1 3.88Å; L951-I956 HydrophobicContact CD2-CD1 4.15Å; L951-I956 HydrophobicContact CG-CD1 4.19Å; N954-I956 HydrophobicContact CB-CD1 4.3Å; N954-I956 HydrophobicContact CB-CG1 4.16Å; I956-K958 WeakPolarHBondContact CG2-O 3.4Å; I956-I959 HydrophobicContact CG2-CG2 3.88Å; I956-N976 VanDerWaalsContact CB-OD1 3.3Å; I956-N976 WeakPolarHBondContact CB-OD1 3.49Å; I956-N976 WeakPolarHBondContact CG1-OD1 3.3Å; I956-N976 PolarHBondContact N-OD1 2.92Å; I956-Q977 CarbonylContact O-C 3.48Å; I956-Q977 VanDerWaalsContact O-C 3.29Å; I956-Q977 WeakPolarHBondContact O-CA 3.31Å; I956-Q977 PolarHBondContact O-N 2.96Å; I956-L978 HydrophobicContact CG2-CD2 4.32Å | ||
| 957 | K | 92.3 | Very high | 91.5 | Very high | 122 Ų | 122 | 38.8 Ų | 38.8 | 53% | 0.53 | 18% | 0.178 | S | C | . | . | trans | -105.6 | -22.3 | 177 | -64.6 | -176.1 | 177.9 | -170.2 | 0 | 114 | Q977 | K957-Q977 HydrophobicContact CG-CB 3.79Š| ||
| 958 | K | 88.5 | Confident | 91.5 | Very high | 142 Ų | 142 | 35 Ų | 35 | 62% | 0.617 | 16% | 0.164 | S | C | * | . | trans | -145.1 | 139.1 | -175 | -63.6 | -173 | 178.9 | -173.2 | 0 | 109.9 | I956 | I956-K958 WeakPolarHBondContact CG2-O 3.4Š| ||
| 959 | I | 89.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -123.2 | 26.5 | -179.9 | 63.1 | 168.7 | 0 | 0 | 0 | 112.8 | I935 I956 F961 I962 L973 L978 I983 L987 | I935-I959 HydrophobicContact CD1-CB 4.39Å; I935-I959 HydrophobicContact CD1-CG2 4.03Å; I956-I959 HydrophobicContact CG2-CG2 3.88Å; I959-F961 PolarHBondContact O-N 3.44Å; I959-I962 HydrophobicContact CB-CD1 3.68Å; I959-I962 HydrophobicContact CB-CG1 4.02Å; I959-I962 HydrophobicContact CD1-CD1 4.47Å; I959-I962 HydrophobicContact CG2-CD1 3.87Å; I959-I962 PolarHBondContact O-N 3.47Å; I959-I962 VanDerWaalsContact O-N 3.09Å; I959-L973 HydrophobicContact CD1-CD1 3.8Å; I959-L973 HydrophobicContact CG2-CD1 4.16Å; I959-L973 HydrophobicContact CG2-CD2 4.04Å; I959-L978 HydrophobicContact CG2-CD2 4.04Å; I959-I983 HydrophobicContact CD1-CG2 3.56Å; I959-I983 HydrophobicContact CG1-CG2 3.92Å; I959-L987 HydrophobicContact CD1-CD1 3.83Å; I959-L987 HydrophobicContact CD1-CD2 3.74Å; I959-L987 HydrophobicContact CD1-CG 3.81Å | ||
| 960 | N | 82.9 | Confident | 91.6 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 21% | 0.209 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 2.1 | -170.8 | 60.7 | -52.8 | 0 | 0 | 0 | 115.6 | Y963 Y986 | N960-Y963 WeakPolarHBondContact O-CD1 3.2Å; N960-Y963 WeakPolarHBondContact O-CE1 3.46Å; N960-Y986 HydrophobicContact CB-CD1 4.13Å; N960-Y986 HydrophobicContact CB-CD2 3.93Å; N960-Y986 HydrophobicContact CB-CE1 3.73Å; N960-Y986 HydrophobicContact CB-CE2 3.54Å; N960-Y986 HydrophobicContact CB-CG 4.23Å; N960-Y986 VanDerWaalsContact CB-CZ 3.42Å |
| 961 | F | 85.2 | Confident | 91.6 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 21% | 0.211 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | -4.2 | 176 | -54.1 | -59.4 | 0 | 0 | 0 | 113.6 | I935 K937 I959 Y963 N964 | I935-F961 HydrophobicContact CG2-CB 4.41Å; I935-F961 VanDerWaalsContact O-CD2 3.27Å; I935-F961 WeakPolarHBondContact O-CD2 3.39Å; K937-F961 HydrophobicContact CB-CB 4.49Å; K937-F961 HydrophobicContact CB-CD1 3.56Å; K937-F961 HydrophobicContact CB-CD2 4.03Å; K937-F961 HydrophobicContact CB-CE1 3.63Å; K937-F961 HydrophobicContact CB-CE2 4.07Å; K937-F961 HydrophobicContact CB-CG 3.76Å; K937-F961 HydrophobicContact CB-CZ 3.87Å; K937-F961 HydrophobicContact CD-CD1 4.06Å; K937-F961 HydrophobicContact CD-CE1 3.9Å; K937-F961 HydrophobicContact CG-CD1 3.68Å; K937-F961 HydrophobicContact CG-CE1 3.93Å; K937-F961 HydrophobicContact CG-CG 4.23Å; I959-F961 PolarHBondContact O-N 3.44Å; F961-Y963 PolarHBondContact O-N 3.41Å; F961-N964 PolarHBondContact O-N 2.8Å |
| 962 | I | 87.9 | Confident | 91.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -64.1 | -25.2 | 176.4 | -62.8 | -170.6 | 0 | 0 | 0 | 111 | I935 I959 N964 C965 L968 L971 L987 L990 | I935-I962 HydrophobicContact CD1-CD1 3.65Å; I935-I962 HydrophobicContact CD1-CG1 3.78Å; I959-I962 HydrophobicContact CB-CD1 3.68Å; I959-I962 HydrophobicContact CB-CG1 4.02Å; I959-I962 HydrophobicContact CD1-CD1 4.47Å; I959-I962 HydrophobicContact CG2-CD1 3.87Å; I959-I962 PolarHBondContact O-N 3.47Å; I959-I962 VanDerWaalsContact O-N 3.09Å; I962-N964 PolarHBondContact O-N 3.22Å; I962-C965 WeakPolarHBondContact O-CB 3.17Å; I962-C965 PolarHBondContact O-N 3.27Å; I962-L968 HydrophobicContact CG2-CD2 3.63Å; I962-L971 HydrophobicContact CD1-CD1 3.94Å; I962-L971 HydrophobicContact CD1-CD2 4.26Å; I962-L971 HydrophobicContact CG2-CD2 4.12Å; I962-L987 HydrophobicContact CG2-CD2 4.39Å; I962-L990 HydrophobicContact CG2-CD1 4.21Å |
| 963 | Y | 84.6 | Confident | 91.7 | Very high | 89 Ų | 89 | 36.2 Ų | 36.2 | 35% | 0.349 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -58.7 | -17.4 | 177 | 79.8 | -97.3 | 0 | 0 | 0 | 114 | N960 F961 C965 Q966 Y986 | N960-Y963 WeakPolarHBondContact O-CD1 3.2Å; N960-Y963 WeakPolarHBondContact O-CE1 3.46Å; F961-Y963 PolarHBondContact O-N 3.41Å; Y963-C965 VanDerWaalsContact C-N 3.26Å; Y963-C965 PolarHBondContact O-N 2.94Å; Y963-Q966 PolarHBondContact O-NE2 3.33Å; Y963-Y986 WeakPolarHBondContact CB-O 3.39Å |
| 964 | N | 84.6 | Confident | 91.8 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 17% | 0.166 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -69.2 | -24.7 | 174.2 | -74.2 | -7.1 | 0 | 0 | 0 | 112.6 | N941 F961 I962 Q966 | N941-N964 PolarHBondContact OD1-ND2 3.43Å; F961-N964 PolarHBondContact O-N 2.8Å; I962-N964 PolarHBondContact O-N 3.22Å; N964-Q966 VanDerWaalsContact C-N 3.31Å; N964-Q966 PolarHBondContact O-N 2.97Å |
| 965 | C | 90.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -83 | 69.9 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | I962 Y963 S967 L968 L990 | I962-C965 WeakPolarHBondContact O-CB 3.17Å; I962-C965 PolarHBondContact O-N 3.27Å; Y963-C965 VanDerWaalsContact C-N 3.26Å; Y963-C965 PolarHBondContact O-N 2.94Å; C965-S967 PolarHBondContact O-N 2.72Å; C965-S967 VanDerWaalsContact O-N 3.13Å; C965-L968 HydrophobicContact CB-CB 4.17Å; C965-L968 WeakPolarHBondContact O-CB 3.41Å; C965-L968 PolarHBondContact O-N 2.73Å; C965-L990 WeakPolarHBondContact O-CD2 3.4Å | ||
| 966 | Q | 90 | Very high | 91.8 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 40% | 0.397 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.8 | -175.8 | -68.4 | -68.9 | -41.6 | 0 | 0 | 114.2 | Y963 N964 L968 N992 | Y963-Q966 PolarHBondContact O-NE2 3.33Å; N964-Q966 VanDerWaalsContact C-N 3.31Å; N964-Q966 PolarHBondContact O-N 2.97Å; Q966-L968 VanDerWaalsContact C-N 3.3Å; Q966-N992 PolarHBondContact O-ND2 2.93Å |
| 967 | S | 92.7 | Very high | 91.8 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.2 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | L944 L946 C965 I969 | L944-S967 WeakPolarHBondContact O-CB 3.2Å; L944-S967 PolarHBondContact O-OG 3.25Å; L946-S967 CarbonylContact O-C 3.35Å; L946-S967 VanDerWaalsContact O-C 3.28Å; C965-S967 PolarHBondContact O-N 2.72Å; C965-S967 VanDerWaalsContact O-N 3.13Å; S967-I969 PolarHBondContact O-N 2.97Å |
| 968 | L | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -65.3 | 128.6 | -175.9 | -165.3 | 71.8 | 0 | 0 | 0 | 111.3 | L946 R947 I949 I962 C965 Q966 L971 L990 N992 L993 | L946-L968 WeakPolarHBondContact O-CA 3.44Å; L946-L968 PolarHBondContact O-N 3.38Å; R947-L968 WeakPolarHBondContact O-CD1 3.38Å; I949-L968 HydrophobicContact CB-CD1 4.16Å; I949-L968 HydrophobicContact CD1-CD1 3.55Å; I949-L968 HydrophobicContact CD1-CD2 4.28Å; I949-L968 HydrophobicContact CG1-CD1 3.58Å; I962-L968 HydrophobicContact CG2-CD2 3.63Å; C965-L968 HydrophobicContact CB-CB 4.17Å; C965-L968 WeakPolarHBondContact O-CB 3.41Å; C965-L968 PolarHBondContact O-N 2.73Å; Q966-L968 VanDerWaalsContact C-N 3.3Å; L968-L971 HydrophobicContact CD2-CB 3.96Å; L968-L971 HydrophobicContact CD2-CD1 4.29Å; L968-L971 HydrophobicContact CD2-CD2 4.1Å; L968-L971 HydrophobicContact CD2-CG 4.34Å; L968-L990 HydrophobicContact CD2-CD1 3.99Å; L968-N992 CarbonylContact O-C 3.13Å; L968-L993 HydrophobicContact CD2-CD1 4.17Å; L968-L993 HydrophobicContact CG-CD1 4.2Å; L968-L993 WeakPolarHBondContact O-CA 3.3Å; L968-L993 PolarHBondContact O-N 3.33Å; L968-L993 VanDerWaalsContact O-N 3.15Å | ||
| 969 | I | 95.6 | Very high | 92 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | trans | -112 | -38.4 | 179.7 | -58.8 | 175.2 | 0 | 0 | 0 | 110.4 | R947 S967 N992 N994 I995 | R947-I969 HydrophobicContact CB-CD1 4.36Å; R947-I969 HydrophobicContact CB-CG1 4.49Å; R947-I969 HydrophobicContact CG-CD1 4.17Å; R947-I969 PolarHBondContact O-N 3.4Å; S967-I969 PolarHBondContact O-N 2.97Å; I969-N992 WeakPolarHBondContact CA-O 2.91Å; I969-N992 HydrophobicContact CG1-CB 4.49Å; I969-N994 HydrophobicContact CG2-CB 4.01Å; I969-N994 PolarHBondContact O-N 3.15Å; I969-I995 PolarHBondContact O-N 3.08Å | ||
| 970 | E | 96.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.023 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 126.5 | -174 | -53 | 178.5 | -164.1 | 0 | 0 | 110.3 | S248 R251 R947 I948 I949 Y972 I995 | S248-E970 WeakPolarHBondContact CA-OE1 3.31Å; S248-E970 WeakPolarHBondContact CB-OE1 3.44Å; S248-E970 PolarHBondContact OG-OE1 3.28Å; R251-E970 WeakPolarHBondContact CD-OE2 3.43Å; R947-E970 PolarHBondContact O-N 3.34Å; I948-E970 HydrophobicContact CB-CB 4.43Å; I948-E970 HydrophobicContact CG1-CB 4.13Å; I948-E970 HydrophobicContact CG1-CG 4.16Å; I948-E970 HydrophobicContact CG2-CB 4.14Å; I949-E970 PolarHBondContact N-O 3.36Å; I949-E970 VanDerWaalsContact N-O 3.07Å; E970-Y972 HydrophobicContact CB-CE2 3.82Å; E970-Y972 PolarHBondContact OE2-OH 3.49Å; E970-Y972 VanDerWaalsContact OE2-OH 3.12Å; E970-I995 HydrophobicContact CB-CB 4.44Å; E970-I995 HydrophobicContact CG-CB 4.28Å; E970-I995 HydrophobicContact CG-CD1 4.07Å |
| 971 | L | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 112.6 | 178.7 | -179.4 | 57.7 | 0 | 0 | 0 | 110.7 | I949 I962 L968 L973 L987 L993 I995 L996 E997 | I949-L971 HydrophobicContact CB-CD1 4.04Å; I949-L971 HydrophobicContact CG2-CD1 4.13Å; I962-L971 HydrophobicContact CD1-CD1 3.94Å; I962-L971 HydrophobicContact CD1-CD2 4.26Å; I962-L971 HydrophobicContact CG2-CD2 4.12Å; L968-L971 HydrophobicContact CD2-CB 3.96Å; L968-L971 HydrophobicContact CD2-CD1 4.29Å; L968-L971 HydrophobicContact CD2-CD2 4.1Å; L968-L971 HydrophobicContact CD2-CG 4.34Å; L971-L973 HydrophobicContact CD1-CD1 4.11Å; L971-L973 HydrophobicContact CD1-CD2 4.48Å; L971-L973 HydrophobicContact CD1-CG 4.02Å; L971-L973 HydrophobicContact CD2-CD1 3.73Å; L971-L973 HydrophobicContact CD2-CG 4.5Å; L971-L973 HydrophobicContact CG-CD1 3.76Å; L971-L973 HydrophobicContact CG-CG 4Å; L971-L987 HydrophobicContact CD2-CD1 4.23Å; L971-L987 HydrophobicContact CD2-CD2 3.54Å; L971-L993 HydrophobicContact CB-CD1 3.81Å; L971-I995 PolarHBondContact N-O 3.05Å; L971-L996 HydrophobicContact CB-CD1 4.26Å; L971-L996 HydrophobicContact CD2-CD1 4.08Å; L971-L996 HydrophobicContact CG-CD1 4.22Å; L971-L996 WeakPolarHBondContact O-CA 3.22Å; L971-E997 PolarHBondContact O-N 3.3Å |
| 972 | Y | 97.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.8 | 178.6 | -53.5 | -81.4 | 0 | 0 | 0 | 110.7 | M252 E255 I948 I949 L951 E970 I995 E997 | M252-Y972 WeakPolarHBondContact CA-OH 3.24Å; M252-Y972 HydrophobicContact CB-CE1 4.25Å; M252-Y972 HydrophobicContact CG-CE1 4.41Å; M252-Y972 PolarHBondContact N-OH 3.18Å; E255-Y972 HydrophobicContact CB-CD1 3.56Å; E255-Y972 HydrophobicContact CB-CE1 3.61Å; E255-Y972 HydrophobicContact CB-CG 4.12Å; E255-Y972 HydrophobicContact CG-CD1 3.92Å; E255-Y972 HydrophobicContact CG-CD2 4.16Å; E255-Y972 HydrophobicContact CG-CE1 3.81Å; E255-Y972 HydrophobicContact CG-CE2 4.04Å; E255-Y972 HydrophobicContact CG-CG 4.1Å; I948-Y972 HydrophobicContact CG2-CE2 4.32Å; I949-Y972 PolarHBondContact O-N 3.17Å; L951-Y972 PolarHBondContact N-O 2.87Å; E970-Y972 HydrophobicContact CB-CE2 3.82Å; E970-Y972 PolarHBondContact OE2-OH 3.49Å; E970-Y972 VanDerWaalsContact OE2-OH 3.12Å; Y972-I995 HydrophobicContact CE1-CG2 3.83Å; Y972-E997 WeakPolarHBondContact CB-OE2 3.38Å; Y972-E997 HydrophobicContact CD1-CB 3.79Å |
| 973 | L | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -128.7 | 15.3 | -175.8 | -72 | 165.2 | 0 | 0 | 0 | 111.8 | L951 I959 L971 N976 L978 E997 L998 N1001 | L951-L973 HydrophobicContact CB-CD2 4.06Å; L951-L973 HydrophobicContact CD1-CD2 4.27Å; I959-L973 HydrophobicContact CD1-CD1 3.8Å; I959-L973 HydrophobicContact CG2-CD1 4.16Å; I959-L973 HydrophobicContact CG2-CD2 4.04Å; L971-L973 HydrophobicContact CD1-CD1 4.11Å; L971-L973 HydrophobicContact CD1-CD2 4.48Å; L971-L973 HydrophobicContact CD1-CG 4.02Å; L971-L973 HydrophobicContact CD2-CD1 3.73Å; L971-L973 HydrophobicContact CD2-CG 4.5Å; L971-L973 HydrophobicContact CG-CD1 3.76Å; L971-L973 HydrophobicContact CG-CG 4Å; L973-N976 WeakPolarHBondContact O-CB 3.3Å; L973-N976 PolarHBondContact O-ND2 3.15Å; L973-L978 HydrophobicContact CB-CD1 4.1Å; L973-L978 HydrophobicContact CD1-CD1 4.04Å; L973-L978 HydrophobicContact CG-CD1 4.5Å; L973-E997 CarbonylContact C-O 3.32Å; L973-E997 WeakPolarHBondContact CA-O 3.16Å; L973-E997 WeakPolarHBondContact CB-O 3.2Å; L973-E997 PolarHBondContact N-O 3.39Å; L973-E997 PolarHBondContact N-OE2 3.31Å; L973-L998 HydrophobicContact CB-CD2 4.06Å; L973-L998 HydrophobicContact CD1-CD2 4.01Å; L973-N1001 PolarHBondContact O-ND2 3.31Å | ||
| 974 | G | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -51.5 | 149.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R952 N953 N976 E997 T999 | R952-G974 CarbonylContact C-O 3.49Å; R952-G974 VanDerWaalsContact CA-O 3.23Å; R952-G974 WeakPolarHBondContact CA-O 3.45Å; N953-G974 PolarHBondContact N-O 2.89Å; G974-N976 PolarHBondContact O-N 3.49Å; G974-N976 PolarHBondContact O-ND2 2.98Å; G974-N976 VanDerWaalsContact O-ND2 3.14Å; G974-E997 WeakPolarHBondContact CA-OE2 3.37Å; G974-E997 PolarHBondContact N-OE2 3.38Å; G974-T999 CarbonylContact C-O 3.07Å; G974-T999 VanDerWaalsContact CA-O 3.24Å; G974-T999 WeakPolarHBondContact CA-O 3.24Å | ||
| 975 | N | 94.3 | Very high | 91.8 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 12% | 0.118 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 53.3 | 50.1 | 178.3 | -65.5 | -27 | 0 | 0 | 0 | 114 | T259 E262 N953 N954 T999 N1000 | T259-N975 PolarHBondContact O-ND2 2.8Å; E262-N975 PolarHBondContact OE2-ND2 3.08Å; N953-N975 WeakPolarHBondContact CA-O 3.33Å; N953-N975 HydrophobicContact CB-CB 4.08Å; N954-N975 PolarHBondContact N-O 3.07Å; N975-T999 PolarHBondContact N-O 2.91Å; N975-N1000 WeakPolarHBondContact OD1-CB 3.18Å; N975-N1000 PolarHBondContact OD1-ND2 3.23Å |
| 976 | N | 95.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -118.4 | -164.4 | 175.3 | -87 | -80.2 | 0 | 0 | 0 | 111.9 | L951 N954 K955 I956 L973 G974 L978 N1001 | L951-N976 PolarHBondContact O-ND2 3.11Å; N954-N976 VanDerWaalsContact CB-OD1 3.3Å; N954-N976 WeakPolarHBondContact CB-OD1 3.45Å; N954-N976 PolarHBondContact O-OD1 3.21Å; K955-N976 PolarHBondContact N-OD1 2.98Å; I956-N976 VanDerWaalsContact CB-OD1 3.3Å; I956-N976 WeakPolarHBondContact CB-OD1 3.49Å; I956-N976 WeakPolarHBondContact CG1-OD1 3.3Å; I956-N976 PolarHBondContact N-OD1 2.92Å; L973-N976 WeakPolarHBondContact O-CB 3.3Å; L973-N976 PolarHBondContact O-ND2 3.15Å; G974-N976 PolarHBondContact O-N 3.49Å; G974-N976 PolarHBondContact O-ND2 2.98Å; G974-N976 VanDerWaalsContact O-ND2 3.14Å; N976-L978 HydrophobicContact CB-CG 4.39Å; N976-N1001 VanDerWaalsContact CA-OD1 3.23Å; N976-N1001 WeakPolarHBondContact CA-OD1 3.07Å; N976-N1001 WeakPolarHBondContact CB-OD1 3.41Å; N976-N1001 PolarHBondContact N-OD1 3.09Å; N976-N1001 PolarHBondContact O-OD1 3.43Å |
| 977 | Q | 95.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 24.2 Ų | 24.2 | 35% | 0.346 | 12% | 0.12 | S | C | . | . | trans | -116.6 | 32.7 | -177 | -60.5 | -170.1 | -17.2 | 0 | 0 | 112.5 | I956 K957 N979 N1001 | I956-Q977 CarbonylContact O-C 3.48Å; I956-Q977 VanDerWaalsContact O-C 3.29Å; I956-Q977 WeakPolarHBondContact O-CA 3.31Å; I956-Q977 PolarHBondContact O-N 2.96Å; K957-Q977 HydrophobicContact CG-CB 3.79Å; Q977-N979 PolarHBondContact O-N 3.47Å; Q977-N1001 PolarHBondContact N-OD1 3.26Å | ||
| 978 | L | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -74.4 | 119 | 178.6 | -61.4 | 179.8 | 0 | 0 | 0 | 110.4 | I956 I959 L973 N976 I983 L998 N1001 P1002 I1003 | I956-L978 HydrophobicContact CG2-CD2 4.32Å; I959-L978 HydrophobicContact CG2-CD2 4.04Å; L973-L978 HydrophobicContact CB-CD1 4.1Å; L973-L978 HydrophobicContact CD1-CD1 4.04Å; L973-L978 HydrophobicContact CG-CD1 4.5Å; N976-L978 HydrophobicContact CB-CG 4.39Å; L978-I983 HydrophobicContact CB-CD1 3.48Å; L978-I983 VanDerWaalsContact CB-CD1 3.48Å; L978-I983 HydrophobicContact CD1-CD1 4.43Å; L978-I983 HydrophobicContact CD1-CG2 4.39Å; L978-I983 HydrophobicContact CD2-CD1 3.58Å; L978-I983 HydrophobicContact CD2-CG1 4.4Å; L978-I983 HydrophobicContact CG-CD1 3.96Å; L978-L998 HydrophobicContact CD1-CD2 3.65Å; L978-N1001 HydrophobicContact CB-CB 3.93Å; L978-N1001 WeakPolarHBondContact CB-OD1 3.39Å; L978-N1001 VanDerWaalsContact CG-OD1 3.3Å; L978-N1001 WeakPolarHBondContact CG-OD1 3.37Å; L978-N1001 PolarHBondContact N-OD1 3.4Å; L978-P1002 VanDerWaalsContact O-CD 3.22Å; L978-P1002 WeakPolarHBondContact O-CD 3.31Å; L978-I1003 HydrophobicContact CB-CG2 4.41Å; L978-I1003 WeakPolarHBondContact O-CB 3.24Å; L978-I1003 PolarHBondContact O-N 2.8Å | ||
| 979 | N | 91.3 | Very high | 91.3 | Very high | 92 Ų | 92 | 31.2 Ų | 31.2 | 49% | 0.492 | 15% | 0.15 | S | C | . | . | trans | -136.1 | 12.7 | -169.7 | 70.8 | -13.3 | 0 | 0 | 0 | 115 | Q977 P1002 L1006 | Q977-N979 PolarHBondContact O-N 3.47Å; N979-P1002 HydrophobicContact CB-CB 3.79Å; N979-P1002 HydrophobicContact CB-CG 4.3Å; N979-L1006 HydrophobicContact CB-CD1 4.05Å; N979-L1006 WeakPolarHBondContact O-CD1 3.3Å | ||
| 980 | H | 85.9 | Confident | 91.2 | Very high | 83 Ų | 83 | 29 Ų | 29 | 38% | 0.384 | 14% | 0.139 | S | C | . | . | trans | -140.8 | 136.4 | -173 | -161.8 | -45.6 | 0 | 0 | 0 | 112.4 | K982 I983 I1003 | H980-K982 PolarHBondContact ND1-N 3.24Å; H980-K982 PolarHBondContact O-N 2.95Å; H980-I983 WeakPolarHBondContact O-CB 3.34Å; H980-I983 WeakPolarHBondContact O-CD1 3.19Å; H980-I983 VanDerWaalsContact O-CG1 3.3Å; H980-I983 WeakPolarHBondContact O-CG1 3.24Å; H980-I983 PolarHBondContact O-N 2.97Å; H980-I1003 WeakPolarHBondContact O-CD1 3.39Å | ||
| 981 | F | 85.4 | Confident | 90.9 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.044 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -33.6 | 179.2 | -179.2 | -98.3 | 0 | 0 | 0 | 115.1 | I983 I984 L985 L1007 Y1017 E1048 I1051 | F981-I983 PolarHBondContact O-N 3.23Å; F981-I984 HydrophobicContact CD2-CD1 3.48Å; F981-I984 VanDerWaalsContact CD2-CD1 3.48Å; F981-I984 HydrophobicContact CE2-CB 4.44Å; F981-I984 HydrophobicContact CE2-CD1 3.54Å; F981-I984 HydrophobicContact CG-CD1 4.34Å; F981-I984 HydrophobicContact CZ-CD1 4.46Å; F981-I984 VanDerWaalsContact O-CB 3.25Å; F981-I984 WeakPolarHBondContact O-CB 3.19Å; F981-I984 WeakPolarHBondContact O-CG1 3.35Å; F981-I984 PolarHBondContact O-N 3.03Å; F981-L985 HydrophobicContact CD1-CG 4.46Å; F981-L985 HydrophobicContact CE1-CD1 4.25Å; F981-L985 HydrophobicContact CE1-CD2 3.92Å; F981-L985 HydrophobicContact CE1-CG 4.01Å; F981-L985 HydrophobicContact CZ-CD2 4.39Å; F981-L1007 HydrophobicContact CB-CD2 4.29Å; F981-L1007 HydrophobicContact CD2-CD1 4.19Å; F981-L1007 HydrophobicContact CD2-CD2 4.07Å; F981-Y1017 AromaticContact CE2-CD2 3.83Å; F981-Y1017 HydrophobicContact CE2-CD2 3.83Å; F981-Y1017 AromaticContact CE2-CE2 3.7Å; F981-Y1017 HydrophobicContact CE2-CE2 3.7Å; F981-Y1017 HydrophobicContact CZ-CD1 4.3Å; F981-Y1017 AromaticContact CZ-CD2 3.68Å; F981-Y1017 HydrophobicContact CZ-CD2 3.68Å; F981-Y1017 HydrophobicContact CZ-CE1 4.07Å; F981-Y1017 AromaticContact CZ-CE2 3.44Å; F981-Y1017 HydrophobicContact CZ-CE2 3.44Å; F981-Y1017 VanDerWaalsContact CZ-CE2 3.44Å; F981-Y1017 HydrophobicContact CZ-CG 4.12Å; F981-Y1017 AromaticContact CZ-CZ 3.66Å; F981-E1048 HydrophobicContact CD1-CB 4.14Å; F981-E1048 HydrophobicContact CD1-CG 4.19Å; F981-E1048 HydrophobicContact CD2-CB 4.04Å; F981-E1048 HydrophobicContact CD2-CG 3.53Å; F981-E1048 HydrophobicContact CE1-CB 3.83Å; F981-E1048 HydrophobicContact CE1-CG 4.32Å; F981-E1048 HydrophobicContact CE2-CB 3.75Å; F981-E1048 HydrophobicContact CE2-CG 3.7Å; F981-E1048 HydrophobicContact CG-CB 4.27Å; F981-E1048 HydrophobicContact CG-CG 3.83Å; F981-E1048 HydrophobicContact CZ-CB 3.67Å; F981-E1048 HydrophobicContact CZ-CG 4.12Å; F981-I1051 HydrophobicContact CD1-CB 4.46Å; F981-I1051 HydrophobicContact CD1-CG2 4.21Å |
| 982 | K | 84.3 | Confident | 90.8 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.6 | -22.2 | -177.7 | -166.5 | 170.9 | -164.9 | 153.9 | 0 | 114.5 | H980 I984 L985 Y986 D1057 | H980-K982 PolarHBondContact ND1-N 3.24Å; H980-K982 PolarHBondContact O-N 2.95Å; K982-I984 PolarHBondContact O-N 2.93Å; K982-L985 WeakPolarHBondContact O-CB 3.49Å; K982-L985 PolarHBondContact O-N 3.49Å; K982-L985 VanDerWaalsContact O-N 3.08Å; K982-Y986 HydrophobicContact CB-CE2 4.4Å; K982-Y986 HydrophobicContact CD-CE2 4.28Å; K982-Y986 VanDerWaalsContact CD-OH 3.27Å; K982-Y986 WeakPolarHBondContact CD-OH 3.32Å; K982-Y986 VanDerWaalsContact CE-OH 3.26Å; K982-Y986 WeakPolarHBondContact CE-OH 3.41Å; K982-Y986 HydrophobicContact CG-CE1 4.31Å; K982-Y986 HydrophobicContact CG-CE2 3.8Å; K982-Y986 VanDerWaalsContact O-CD2 3.25Å; K982-Y986 WeakPolarHBondContact O-CD2 3.4Å; K982-Y986 PolarHBondContact O-N 3.22Å; K982-D1057 WeakPolarHBondContact CD-OD1 3.47Å; K982-D1057 WeakPolarHBondContact CE-OD1 3.45Å; K982-D1057 IonicContact NZ-OD1 3.51Å; K982-D1057 PolarHBondContact NZ-OD1 3.37Å; K982-D1057 IonicContact NZ-OD2 3.48Å; K982-D1057 PolarHBondContact NZ-OD2 2.75Å |
| 983 | I | 84.7 | Confident | 90.7 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.9 | -42.8 | 171.7 | -68.9 | 168.6 | 0 | 0 | 0 | 111 | I959 L978 H980 F981 L985 Y986 L987 I1003 | I959-I983 HydrophobicContact CD1-CG2 3.56Å; I959-I983 HydrophobicContact CG1-CG2 3.92Å; L978-I983 HydrophobicContact CB-CD1 3.48Å; L978-I983 VanDerWaalsContact CB-CD1 3.48Å; L978-I983 HydrophobicContact CD1-CD1 4.43Å; L978-I983 HydrophobicContact CD1-CG2 4.39Å; L978-I983 HydrophobicContact CD2-CD1 3.58Å; L978-I983 HydrophobicContact CD2-CG1 4.4Å; L978-I983 HydrophobicContact CG-CD1 3.96Å; H980-I983 WeakPolarHBondContact O-CB 3.34Å; H980-I983 WeakPolarHBondContact O-CD1 3.19Å; H980-I983 VanDerWaalsContact O-CG1 3.3Å; H980-I983 WeakPolarHBondContact O-CG1 3.24Å; H980-I983 PolarHBondContact O-N 2.97Å; F981-I983 PolarHBondContact O-N 3.23Å; I983-L985 VanDerWaalsContact C-N 3.3Å; I983-L985 PolarHBondContact O-N 3.01Å; I983-Y986 PolarHBondContact O-N 2.99Å; I983-L987 PolarHBondContact O-N 2.97Å; I983-I1003 HydrophobicContact CB-CD1 4.45Å; I983-I1003 HydrophobicContact CD1-CD1 4.49Å |
| 984 | I | 85.3 | Confident | 90.6 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 179.1 | -60.1 | 167.3 | 0 | 0 | 0 | 110.3 | F981 K982 Y986 L987 K988 I1003 L1007 I1014 Y1017 I1018 | F981-I984 HydrophobicContact CD2-CD1 3.48Å; F981-I984 VanDerWaalsContact CD2-CD1 3.48Å; F981-I984 HydrophobicContact CE2-CB 4.44Å; F981-I984 HydrophobicContact CE2-CD1 3.54Å; F981-I984 HydrophobicContact CG-CD1 4.34Å; F981-I984 HydrophobicContact CZ-CD1 4.46Å; F981-I984 VanDerWaalsContact O-CB 3.25Å; F981-I984 WeakPolarHBondContact O-CB 3.19Å; F981-I984 WeakPolarHBondContact O-CG1 3.35Å; F981-I984 PolarHBondContact O-N 3.03Å; K982-I984 PolarHBondContact O-N 2.93Å; I984-Y986 VanDerWaalsContact C-N 3.33Å; I984-Y986 PolarHBondContact O-N 3.05Å; I984-L987 PolarHBondContact O-N 3.26Å; I984-L987 VanDerWaalsContact O-N 3.16Å; I984-K988 PolarHBondContact O-N 2.68Å; I984-I1003 HydrophobicContact CD1-CD1 4.36Å; I984-I1003 HydrophobicContact CG1-CD1 4.47Å; I984-L1007 HydrophobicContact CD1-CD1 3.6Å; I984-I1014 HydrophobicContact CD1-CD1 3.37Å; I984-I1014 HydrophobicContact CG1-CD1 3.46Å; I984-I1014 VanDerWaalsContact CG1-CD1 3.46Å; I984-Y1017 VanDerWaalsContact CG2-CB 3.41Å; I984-Y1017 HydrophobicContact CG2-CD2 4.44Å; I984-Y1017 HydrophobicContact CG2-CG 4.09Å; I984-I1018 HydrophobicContact CG2-CD1 4.15Å; I984-I1018 HydrophobicContact CG2-CG1 3.89Å |
| 985 | L | 85.8 | Confident | 90.7 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.6 | -33.2 | 178.9 | -57.1 | -177.5 | 0 | 0 | 0 | 112.8 | F981 K982 I983 L987 I1051 N1052 | F981-L985 HydrophobicContact CD1-CG 4.46Å; F981-L985 HydrophobicContact CE1-CD1 4.25Å; F981-L985 HydrophobicContact CE1-CD2 3.92Å; F981-L985 HydrophobicContact CE1-CG 4.01Å; F981-L985 HydrophobicContact CZ-CD2 4.39Å; K982-L985 WeakPolarHBondContact O-CB 3.49Å; K982-L985 PolarHBondContact O-N 3.49Å; K982-L985 VanDerWaalsContact O-N 3.08Å; I983-L985 VanDerWaalsContact C-N 3.3Å; I983-L985 PolarHBondContact O-N 3.01Å; L985-L987 VanDerWaalsContact C-N 3.3Å; L985-I1051 HydrophobicContact CD1-CG2 3.92Å; L985-N1052 HydrophobicContact CD2-CB 3.88Å; L985-N1052 WeakPolarHBondContact CD2-OD1 3.5Å |
| 986 | Y | 87.3 | Confident | 90.8 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -31.5 | 174.1 | -60 | -51 | 0 | 0 | 0 | 112.6 | N960 Y963 K982 I983 I984 | N960-Y986 HydrophobicContact CB-CD1 4.13Å; N960-Y986 HydrophobicContact CB-CD2 3.93Å; N960-Y986 HydrophobicContact CB-CE1 3.73Å; N960-Y986 HydrophobicContact CB-CE2 3.54Å; N960-Y986 HydrophobicContact CB-CG 4.23Å; N960-Y986 VanDerWaalsContact CB-CZ 3.42Å; Y963-Y986 WeakPolarHBondContact CB-O 3.39Å; K982-Y986 HydrophobicContact CB-CE2 4.4Å; K982-Y986 HydrophobicContact CD-CE2 4.28Å; K982-Y986 VanDerWaalsContact CD-OH 3.27Å; K982-Y986 WeakPolarHBondContact CD-OH 3.32Å; K982-Y986 VanDerWaalsContact CE-OH 3.26Å; K982-Y986 WeakPolarHBondContact CE-OH 3.41Å; K982-Y986 HydrophobicContact CG-CE1 4.31Å; K982-Y986 HydrophobicContact CG-CE2 3.8Å; K982-Y986 VanDerWaalsContact O-CD2 3.25Å; K982-Y986 WeakPolarHBondContact O-CD2 3.4Å; K982-Y986 PolarHBondContact O-N 3.22Å; I983-Y986 PolarHBondContact O-N 2.99Å; I984-Y986 VanDerWaalsContact C-N 3.33Å; I984-Y986 PolarHBondContact O-N 3.05Å |
| 987 | L | 92.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -87.4 | -24.3 | -179.3 | -61.5 | 179.5 | 0 | 0 | 0 | 113.1 | I959 I962 L971 I983 I984 L985 N989 L990 L993 L996 I1018 | I959-L987 HydrophobicContact CD1-CD1 3.83Å; I959-L987 HydrophobicContact CD1-CD2 3.74Å; I959-L987 HydrophobicContact CD1-CG 3.81Å; I962-L987 HydrophobicContact CG2-CD2 4.39Å; L971-L987 HydrophobicContact CD2-CD1 4.23Å; L971-L987 HydrophobicContact CD2-CD2 3.54Å; I983-L987 PolarHBondContact O-N 2.97Å; I984-L987 PolarHBondContact O-N 3.26Å; I984-L987 VanDerWaalsContact O-N 3.16Å; L985-L987 VanDerWaalsContact C-N 3.3Å; L987-N989 PolarHBondContact O-N 2.69Å; L987-L990 HydrophobicContact CD2-CD1 3.64Å; L987-L990 WeakPolarHBondContact O-CB 3.42Å; L987-L990 PolarHBondContact O-N 2.59Å; L987-L993 HydrophobicContact CB-CD2 4.47Å; L987-L996 HydrophobicContact CD1-CD1 3.86Å; L987-L996 HydrophobicContact CD1-CD2 3.98Å; L987-I1018 HydrophobicContact CB-CD1 3.7Å; L987-I1018 HydrophobicContact CB-CG1 4.47Å; L987-I1018 HydrophobicContact CD1-CD1 4.11Å |
| 988 | K | 89.6 | Confident | 90.9 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 37% | 0.365 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | -35 | -177.9 | 179.1 | 178.6 | -178.3 | -171.5 | 0 | 114.5 | I984 N1052 | I984-K988 PolarHBondContact O-N 2.68Å; K988-N1052 PolarHBondContact NZ-OD1 3.18Å |
| 989 | N | 88.2 | Confident | 90.9 | Very high | 104 Ų | 104 | 39.2 Ų | 39.2 | 56% | 0.556 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | -0.8 | -175.1 | -66.4 | -22.8 | 0 | 0 | 0 | 114.2 | L987 K991 | L987-N989 PolarHBondContact O-N 2.69Å; N989-K991 PolarHBondContact O-N 2.75Å |
| 990 | L | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -79.8 | 84 | 176.4 | -66.5 | 175.1 | 0 | 0 | 0 | 110.3 | I962 C965 L968 L987 N992 L993 S1020 | I962-L990 HydrophobicContact CG2-CD1 4.21Å; C965-L990 WeakPolarHBondContact O-CD2 3.4Å; L968-L990 HydrophobicContact CD2-CD1 3.99Å; L987-L990 HydrophobicContact CD2-CD1 3.64Å; L987-L990 WeakPolarHBondContact O-CB 3.42Å; L987-L990 PolarHBondContact O-N 2.59Å; L990-N992 PolarHBondContact O-N 2.82Å; L990-N992 VanDerWaalsContact O-N 3.11Å; L990-L993 HydrophobicContact CB-CB 3.9Å; L990-L993 HydrophobicContact CB-CD2 4.45Å; L990-L993 HydrophobicContact CD1-CD2 4.27Å; L990-L993 WeakPolarHBondContact O-CB 3.48Å; L990-L993 PolarHBondContact O-N 2.85Å; L990-L993 VanDerWaalsContact O-N 3.1Å; L990-S1020 PolarHBondContact O-OG 3.39Å; L990-S1020 VanDerWaalsContact O-OG 3.13Å | ||
| 991 | K | 91.6 | Very high | 91.3 | Very high | 174 Ų | 174 | 33.4 Ų | 33.4 | 76% | 0.757 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -24.7 | -170.4 | -61 | -178.8 | -177.3 | 178.2 | 0 | 115 | N989 S1020 | N989-K991 PolarHBondContact O-N 2.75Å; K991-S1020 WeakPolarHBondContact O-CB 3.06Å |
| 992 | N | 93.2 | Very high | 91.7 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 46% | 0.46 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.7 | -178 | -62.3 | -39.3 | 0 | 0 | 0 | 113.5 | Q966 L968 I969 L990 N994 | Q966-N992 PolarHBondContact O-ND2 2.93Å; L968-N992 CarbonylContact O-C 3.13Å; I969-N992 WeakPolarHBondContact CA-O 2.91Å; I969-N992 HydrophobicContact CG1-CB 4.49Å; L990-N992 PolarHBondContact O-N 2.82Å; L990-N992 VanDerWaalsContact O-N 3.11Å; N992-N994 PolarHBondContact O-N 3.3Å; N992-N994 VanDerWaalsContact O-N 3.07Å |
| 993 | L | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -69.7 | 106.1 | -175.3 | -174.8 | 66.3 | 0 | 0 | 0 | 109.9 | L968 L971 L987 L990 I1018 S1020 I1021 | L968-L993 HydrophobicContact CD2-CD1 4.17Å; L968-L993 HydrophobicContact CG-CD1 4.2Å; L968-L993 WeakPolarHBondContact O-CA 3.3Å; L968-L993 PolarHBondContact O-N 3.33Å; L968-L993 VanDerWaalsContact O-N 3.15Å; L971-L993 HydrophobicContact CB-CD1 3.81Å; L987-L993 HydrophobicContact CB-CD2 4.47Å; L990-L993 HydrophobicContact CB-CB 3.9Å; L990-L993 HydrophobicContact CB-CD2 4.45Å; L990-L993 HydrophobicContact CD1-CD2 4.27Å; L990-L993 WeakPolarHBondContact O-CB 3.48Å; L990-L993 PolarHBondContact O-N 2.85Å; L990-L993 VanDerWaalsContact O-N 3.1Å; L993-I1018 HydrophobicContact CD2-CG2 4.42Å; L993-S1020 CarbonylContact O-C 3.28Å; L993-S1020 VanDerWaalsContact O-CB 3.28Å; L993-S1020 WeakPolarHBondContact O-CB 3.44Å; L993-S1020 PolarHBondContact O-OG 3.11Å; L993-I1021 HydrophobicContact CD2-CG2 4.13Å; L993-I1021 HydrophobicContact CG-CG2 3.99Å; L993-I1021 VanDerWaalsContact O-CA 3.3Å; L993-I1021 WeakPolarHBondContact O-CA 3.45Å; L993-I1021 WeakPolarHBondContact O-CG2 3.44Å; L993-I1021 PolarHBondContact O-N 2.65Å | ||
| 994 | N | 95.6 | Very high | 92.4 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 17% | 0.166 | 17% | 0.174 | C | C | . | . | trans | -97.6 | -35.3 | -178.8 | -74.4 | -24.6 | 0 | 0 | 0 | 112.3 | I969 N992 K1022 S1023 | I969-N994 HydrophobicContact CG2-CB 4.01Å; I969-N994 PolarHBondContact O-N 3.15Å; N992-N994 PolarHBondContact O-N 3.3Å; N992-N994 VanDerWaalsContact O-N 3.07Å; N994-K1022 HydrophobicContact CB-CD 4.46Å; N994-K1022 PolarHBondContact O-N 3.36Å; N994-K1022 WeakPolarHBondContact OD1-CE 3.48Å; N994-S1023 PolarHBondContact O-N 3.28Å | ||
| 995 | I | 97.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125 | -176.9 | -67.7 | 161.2 | 0 | 0 | 0 | 108.9 | S248 M252 I969 E970 L971 Y972 | S248-I995 WeakPolarHBondContact O-CD1 3.19Å; M252-I995 HydrophobicContact CB-CD1 4.11Å; M252-I995 HydrophobicContact CB-CG2 4.02Å; M252-I995 HydrophobicContact CG-CG2 3.71Å; M252-I995 HydrophobicContact SD-CD1 4.43Å; M252-I995 HydrophobicContact SD-CG1 4.17Å; M252-I995 HydrophobicContact SD-CG2 4.03Å; I969-I995 PolarHBondContact O-N 3.08Å; E970-I995 HydrophobicContact CB-CB 4.44Å; E970-I995 HydrophobicContact CG-CB 4.28Å; E970-I995 HydrophobicContact CG-CD1 4.07Å; L971-I995 PolarHBondContact N-O 3.05Å; Y972-I995 HydrophobicContact CE1-CG2 3.83Å |
| 996 | L | 97.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127 | 174.6 | 177.6 | 60.1 | 0 | 0 | 0 | 109.2 | L971 L987 L998 I1014 I1018 I1021 S1023 L1024 D1025 | L971-L996 HydrophobicContact CB-CD1 4.26Å; L971-L996 HydrophobicContact CD2-CD1 4.08Å; L971-L996 HydrophobicContact CG-CD1 4.22Å; L971-L996 WeakPolarHBondContact O-CA 3.22Å; L987-L996 HydrophobicContact CD1-CD1 3.86Å; L987-L996 HydrophobicContact CD1-CD2 3.98Å; L996-L998 HydrophobicContact CD1-CD1 4.4Å; L996-L998 HydrophobicContact CD1-CD2 4.3Å; L996-L998 HydrophobicContact CD1-CG 4Å; L996-L998 HydrophobicContact CD2-CD1 3.86Å; L996-L998 HydrophobicContact CD2-CG 4.32Å; L996-L998 HydrophobicContact CG-CD1 4.08Å; L996-L998 HydrophobicContact CG-CG 3.98Å; L996-I1014 HydrophobicContact CD2-CG2 3.94Å; L996-I1018 HydrophobicContact CD2-CD1 3.63Å; L996-I1021 HydrophobicContact CB-CG2 3.84Å; L996-S1023 PolarHBondContact N-O 3.22Å; L996-S1023 VanDerWaalsContact N-O 3.15Å; L996-L1024 HydrophobicContact CB-CD1 4.33Å; L996-L1024 HydrophobicContact CD2-CD1 4.34Å; L996-L1024 HydrophobicContact CG-CD1 4.19Å; L996-L1024 VanDerWaalsContact O-CA 3.28Å; L996-L1024 WeakPolarHBondContact O-CA 3.42Å; L996-L1024 WeakPolarHBondContact O-CD1 3.28Å; L996-D1025 PolarHBondContact O-N 3.47Å |
| 997 | E | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.6 | 172.8 | -177.9 | -125.5 | -168.3 | 0 | 0 | 109.2 | T259 R952 L971 Y972 L973 G974 | T259-E997 WeakPolarHBondContact CB-OE1 3.44Å; T259-E997 WeakPolarHBondContact CG2-OE1 3.44Å; T259-E997 PolarHBondContact OG1-OE1 3.2Å; R952-E997 WeakPolarHBondContact CD-OE2 3.21Å; R952-E997 WeakPolarHBondContact CG-OE2 3.48Å; L971-E997 PolarHBondContact O-N 3.3Å; Y972-E997 WeakPolarHBondContact CB-OE2 3.38Å; Y972-E997 HydrophobicContact CD1-CB 3.79Å; L973-E997 CarbonylContact C-O 3.32Å; L973-E997 WeakPolarHBondContact CA-O 3.16Å; L973-E997 WeakPolarHBondContact CB-O 3.2Å; L973-E997 PolarHBondContact N-O 3.39Å; L973-E997 PolarHBondContact N-OE2 3.31Å; G974-E997 WeakPolarHBondContact CA-OE2 3.37Å; G974-E997 PolarHBondContact N-OE2 3.38Å |
| 998 | L | 95.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -127.7 | 2.6 | -178.3 | -71.5 | 172.6 | 0 | 0 | 0 | 111.4 | L973 L978 L996 N1001 C1004 Y1010 I1014 D1025 | L973-L998 HydrophobicContact CB-CD2 4.06Å; L973-L998 HydrophobicContact CD1-CD2 4.01Å; L978-L998 HydrophobicContact CD1-CD2 3.65Å; L996-L998 HydrophobicContact CD1-CD1 4.4Å; L996-L998 HydrophobicContact CD1-CD2 4.3Å; L996-L998 HydrophobicContact CD1-CG 4Å; L996-L998 HydrophobicContact CD2-CD1 3.86Å; L996-L998 HydrophobicContact CD2-CG 4.32Å; L996-L998 HydrophobicContact CG-CD1 4.08Å; L996-L998 HydrophobicContact CG-CG 3.98Å; L998-N1001 WeakPolarHBondContact O-CB 3.21Å; L998-N1001 PolarHBondContact O-N 3.11Å; L998-N1001 PolarHBondContact O-ND2 3.44Å; L998-C1004 PolarHBondContact O-SG 2.75Å; L998-Y1010 WeakPolarHBondContact CB-OH 3.49Å; L998-Y1010 HydrophobicContact CD1-CE2 4.37Å; L998-I1014 HydrophobicContact CD1-CD1 4.01Å; L998-I1014 HydrophobicContact CD1-CG1 4.48Å; L998-D1025 WeakPolarHBondContact CA-OD1 3.02Å; L998-D1025 PolarHBondContact N-OD1 2.85Å | ||
| 999 | T | 93.7 | Very high | 91.8 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -40.4 | 138.9 | 178.3 | -49.2 | 0 | 0 | 0 | 0 | 112.7 | N256 T259 L260 G974 N975 N1001 D1025 | N256-T999 PolarHBondContact OD1-OG1 3.36Å; T259-T999 HydrophobicContact CG2-CG2 4.16Å; L260-T999 HydrophobicContact CD2-CG2 4.43Å; G974-T999 CarbonylContact C-O 3.07Å; G974-T999 VanDerWaalsContact CA-O 3.24Å; G974-T999 WeakPolarHBondContact CA-O 3.24Å; N975-T999 PolarHBondContact N-O 2.91Å; T999-N1001 VanDerWaalsContact C-N 3.25Å; T999-N1001 PolarHBondContact O-N 3.18Å; T999-D1025 PolarHBondContact N-OD1 3.38Å; T999-D1025 WeakPolarHBondContact OG1-CB 3.18Å; T999-D1025 PolarHBondContact OG1-OD1 2.91Å |
| 1000 | N | 90.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 28.8 | 179.7 | -59.3 | -33 | 0 | 0 | 0 | 115.4 | K263 N975 | K263-N1000 WeakPolarHBondContact CB-ND2 3.39Å; K263-N1000 WeakPolarHBondContact CD-ND2 2.89Å; N975-N1000 WeakPolarHBondContact OD1-CB 3.18Å; N975-N1000 PolarHBondContact OD1-ND2 3.23Å |
| 1001 | N | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -94.6 | 149.1 | 162.8 | -79.4 | -88 | 0 | 0 | 0 | 110.7 | L973 N976 Q977 L978 L998 T999 I1003 C1004 | L973-N1001 PolarHBondContact O-ND2 3.31Å; N976-N1001 VanDerWaalsContact CA-OD1 3.23Å; N976-N1001 WeakPolarHBondContact CA-OD1 3.07Å; N976-N1001 WeakPolarHBondContact CB-OD1 3.41Å; N976-N1001 PolarHBondContact N-OD1 3.09Å; N976-N1001 PolarHBondContact O-OD1 3.43Å; Q977-N1001 PolarHBondContact N-OD1 3.26Å; L978-N1001 HydrophobicContact CB-CB 3.93Å; L978-N1001 WeakPolarHBondContact CB-OD1 3.39Å; L978-N1001 VanDerWaalsContact CG-OD1 3.3Å; L978-N1001 WeakPolarHBondContact CG-OD1 3.37Å; L978-N1001 PolarHBondContact N-OD1 3.4Å; L998-N1001 WeakPolarHBondContact O-CB 3.21Å; L998-N1001 PolarHBondContact O-N 3.11Å; L998-N1001 PolarHBondContact O-ND2 3.44Å; T999-N1001 VanDerWaalsContact C-N 3.25Å; T999-N1001 PolarHBondContact O-N 3.18Å; N1001-I1003 HydrophobicContact CB-CG2 3.83Å; N1001-I1003 PolarHBondContact O-N 3.4Å; N1001-C1004 VanDerWaalsContact O-CB 3.32Å; N1001-C1004 WeakPolarHBondContact O-CB 3.46Å; N1001-C1004 PolarHBondContact O-N 3.4Å; N1001-C1004 PolarHBondContact O-SG 2.91Å |
| 1002 | P | 94.1 | Very high | 92.3 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -51.4 | -32.6 | 175.4 | -28.1 | 32.8 | 0 | 0 | 0 | 114.4 | L978 N979 C1004 N1005 L1006 | L978-P1002 VanDerWaalsContact O-CD 3.22Å; L978-P1002 WeakPolarHBondContact O-CD 3.31Å; N979-P1002 HydrophobicContact CB-CB 3.79Å; N979-P1002 HydrophobicContact CB-CG 4.3Å; P1002-C1004 PolarHBondContact O-N 2.84Å; P1002-N1005 PolarHBondContact O-N 3.3Å; P1002-N1005 VanDerWaalsContact O-N 3.13Å; P1002-L1006 HydrophobicContact CB-CD1 4.23Å; P1002-L1006 VanDerWaalsContact O-CG 3.29Å; P1002-L1006 WeakPolarHBondContact O-CG 3.1Å; P1002-L1006 PolarHBondContact O-N 2.96Å; P1002-L1006 VanDerWaalsContact O-N 3.17Å |
| 1003 | I | 91.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.1 | -31.3 | 177.9 | -164.2 | 171.3 | 0 | 0 | 0 | 113.3 | L978 H980 I983 I984 N1001 N1005 L1006 L1007 Y1010 | L978-I1003 HydrophobicContact CB-CG2 4.41Å; L978-I1003 WeakPolarHBondContact O-CB 3.24Å; L978-I1003 PolarHBondContact O-N 2.8Å; H980-I1003 WeakPolarHBondContact O-CD1 3.39Å; I983-I1003 HydrophobicContact CB-CD1 4.45Å; I983-I1003 HydrophobicContact CD1-CD1 4.49Å; I984-I1003 HydrophobicContact CD1-CD1 4.36Å; I984-I1003 HydrophobicContact CG1-CD1 4.47Å; N1001-I1003 HydrophobicContact CB-CG2 3.83Å; N1001-I1003 PolarHBondContact O-N 3.4Å; I1003-N1005 PolarHBondContact O-N 3Å; I1003-L1006 PolarHBondContact O-N 3.21Å; I1003-L1007 HydrophobicContact CD1-CD1 3.93Å; I1003-L1007 HydrophobicContact CG1-CD1 3.6Å; I1003-L1007 HydrophobicContact CG1-CG 3.88Å; I1003-L1007 PolarHBondContact O-N 3.09Å; I1003-Y1010 HydrophobicContact CG2-CE2 4.4Å |
| 1004 | C | 91.7 | Very high | 92.2 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -33.3 | 178.9 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | L998 N1001 P1002 Y1010 | L998-C1004 PolarHBondContact O-SG 2.75Å; N1001-C1004 VanDerWaalsContact O-CB 3.32Å; N1001-C1004 WeakPolarHBondContact O-CB 3.46Å; N1001-C1004 PolarHBondContact O-N 3.4Å; N1001-C1004 PolarHBondContact O-SG 2.91Å; P1002-C1004 PolarHBondContact O-N 2.84Å; C1004-Y1010 HydrophobicContact CB-CD1 4.38Å; C1004-Y1010 HydrophobicContact CB-CE1 4.41Å; C1004-Y1010 HydrophobicContact CB-CG 4.49Å; C1004-Y1010 WeakPolarHBondContact O-CB 3.45Å |
| 1005 | N | 88.1 | Confident | 92.2 | Very high | 153 Ų | 153 | 39.3 Ų | 39.3 | 82% | 0.818 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -96.8 | -18.8 | -179.3 | -63 | -19.8 | 0 | 0 | 0 | 112.9 | P1002 I1003 | P1002-N1005 PolarHBondContact O-N 3.3Å; P1002-N1005 VanDerWaalsContact O-N 3.13Å; I1003-N1005 PolarHBondContact O-N 3Å |
| 1006 | L | 85.6 | Confident | 92 | Very high | 110 Ų | 110 | 40.6 Ų | 40.6 | 58% | 0.576 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -85.2 | -27 | -177.9 | -70.5 | 170.1 | 0 | 0 | 0 | 113.1 | N979 P1002 I1003 | N979-L1006 HydrophobicContact CB-CD1 4.05Å; N979-L1006 WeakPolarHBondContact O-CD1 3.3Å; P1002-L1006 HydrophobicContact CB-CD1 4.23Å; P1002-L1006 VanDerWaalsContact O-CG 3.29Å; P1002-L1006 WeakPolarHBondContact O-CG 3.1Å; P1002-L1006 PolarHBondContact O-N 2.96Å; P1002-L1006 VanDerWaalsContact O-N 3.17Å; I1003-L1006 PolarHBondContact O-N 3.21Å |
| 1007 | L | 84.2 | Confident | 91.8 | Very high | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -93.4 | 120.1 | 179.9 | -63.9 | -178.5 | 0 | 0 | 0 | 111.1 | F981 I984 I1003 H1009 Y1010 | F981-L1007 HydrophobicContact CB-CD2 4.29Å; F981-L1007 HydrophobicContact CD2-CD1 4.19Å; F981-L1007 HydrophobicContact CD2-CD2 4.07Å; I984-L1007 HydrophobicContact CD1-CD1 3.6Å; I1003-L1007 HydrophobicContact CD1-CD1 3.93Å; I1003-L1007 HydrophobicContact CG1-CD1 3.6Å; I1003-L1007 HydrophobicContact CG1-CG 3.88Å; I1003-L1007 PolarHBondContact O-N 3.09Å; L1007-H1009 PolarHBondContact O-N 2.64Å; L1007-Y1010 HydrophobicContact CD1-CD2 4.3Å; L1007-Y1010 WeakPolarHBondContact O-CB 3.25Å; L1007-Y1010 PolarHBondContact O-N 3.45Å |
| 1008 | N | 81.9 | Confident | 91.7 | Very high | 129 Ų | 129 | 41.3 Ų | 41.3 | 69% | 0.69 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 130.4 | 169.4 | -71.8 | -20 | 0 | 0 | 0 | 109.5 | Y1010 Q1013 | N1008-Y1010 PolarHBondContact O-N 2.88Å; N1008-Q1013 PolarHBondContact O-NE2 3.23Å |
| 1009 | H | 88.6 | Confident | 91.5 | Very high | 112 Ų | 112 | 49.1 Ų | 49.1 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 37.4 | -175.1 | -56.5 | 111.5 | 0 | 0 | 0 | 112.7 | L1007 R1011 Y1012 Q1013 L1040 F1041 | L1007-H1009 PolarHBondContact O-N 2.64Å; H1009-R1011 VanDerWaalsContact C-N 3.27Å; H1009-R1011 PolarHBondContact O-N 3.44Å; H1009-Y1012 HydrophobicContact CB-CD2 4.04Å; H1009-Y1012 PolarHBondContact O-N 3.34Å; H1009-Q1013 PolarHBondContact O-N 3.1Å; H1009-L1040 HydrophobicContact CB-CD1 4.41Å; H1009-F1041 HydrophobicContact CB-CZ 4.04Å |
| 1010 | Y | 93 | Very high | 91.5 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 9% | 0.09 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -34.9 | -55.5 | -177.7 | 156.7 | -101.5 | 0 | 0 | 0 | 113.4 | L998 I1003 C1004 L1007 N1008 Y1012 Q1013 I1014 D1025 | L998-Y1010 WeakPolarHBondContact CB-OH 3.49Å; L998-Y1010 HydrophobicContact CD1-CE2 4.37Å; I1003-Y1010 HydrophobicContact CG2-CE2 4.4Å; C1004-Y1010 HydrophobicContact CB-CD1 4.38Å; C1004-Y1010 HydrophobicContact CB-CE1 4.41Å; C1004-Y1010 HydrophobicContact CB-CG 4.49Å; C1004-Y1010 WeakPolarHBondContact O-CB 3.45Å; L1007-Y1010 HydrophobicContact CD1-CD2 4.3Å; L1007-Y1010 WeakPolarHBondContact O-CB 3.25Å; L1007-Y1010 PolarHBondContact O-N 3.45Å; N1008-Y1010 PolarHBondContact O-N 2.88Å; Y1010-Y1012 PolarHBondContact O-N 3.2Å; Y1010-Q1013 WeakPolarHBondContact O-CB 3.28Å; Y1010-Q1013 PolarHBondContact O-N 3.39Å; Y1010-Q1013 VanDerWaalsContact O-N 3.13Å; Y1010-I1014 HydrophobicContact CD2-CD1 4.25Å; Y1010-I1014 HydrophobicContact CD2-CG1 3.91Å; Y1010-I1014 HydrophobicContact CE2-CD1 3.79Å; Y1010-I1014 HydrophobicContact CE2-CG1 3.48Å; Y1010-I1014 VanDerWaalsContact CE2-CG1 3.48Å; Y1010-I1014 WeakPolarHBondContact O-CG1 3.41Å; Y1010-I1014 PolarHBondContact O-N 3.4Å; Y1010-D1025 WeakPolarHBondContact CE1-OD2 3.49Å; Y1010-D1025 PolarHBondContact OH-OD2 2.79Å |
| 1011 | R | 95.1 | Very high | 91.8 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | -177.1 | -174.3 | 169.3 | 169.5 | 83.3 | 4.4 | 112.3 | H1009 Q1013 I1014 I1015 L1024 Q1028 E1033 | H1009-R1011 VanDerWaalsContact C-N 3.27Å; H1009-R1011 PolarHBondContact O-N 3.44Å; R1011-Q1013 VanDerWaalsContact C-N 3.34Å; R1011-Q1013 PolarHBondContact O-N 3.21Å; R1011-I1014 PolarHBondContact O-N 3.35Å; R1011-I1015 HydrophobicContact CG-CD1 3.99Å; R1011-I1015 WeakPolarHBondContact O-CD1 3.49Å; R1011-I1015 VanDerWaalsContact O-CG1 3.23Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; R1011-I1015 PolarHBondContact O-N 3.13Å; R1011-I1015 VanDerWaalsContact O-N 3.14Å; R1011-L1024 HydrophobicContact CG-CD2 3.98Å; R1011-L1024 PolarHBondContact NH1-O 2.9Å; R1011-Q1028 PolarHBondContact NH2-O 2.93Å; R1011-E1033 IonicContact CZ-OE1 3.57Å; R1011-E1033 IonicContact NE-OE1 3.66Å; R1011-E1033 PolarHBondContact NE-OE1 2.89Å; R1011-E1033 IonicContact NH2-OE1 3.49Å; R1011-E1033 PolarHBondContact NH2-OE1 3.45Å; R1011-E1033 IonicContact NH2-OE2 3.96Å; R1011-E1033 PolarHBondContact NH2-OE2 3.38Å |
| 1012 | Y | 94.8 | Very high | 91.8 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -34 | 177.9 | -60.4 | -57.6 | 0 | 0 | 0 | 112.5 | H1009 Y1010 I1015 Y1016 E1033 Q1036 S1037 L1040 | H1009-Y1012 HydrophobicContact CB-CD2 4.04Å; H1009-Y1012 PolarHBondContact O-N 3.34Å; Y1010-Y1012 PolarHBondContact O-N 3.2Å; Y1012-I1015 PolarHBondContact O-N 3.39Å; Y1012-Y1016 WeakPolarHBondContact O-CB 3.34Å; Y1012-Y1016 PolarHBondContact O-N 3.31Å; Y1012-E1033 HydrophobicContact CD1-CB 4.43Å; Y1012-E1033 HydrophobicContact CE1-CB 4.06Å; Y1012-E1033 HydrophobicContact CE1-CG 3.97Å; Y1012-Q1036 HydrophobicContact CD1-CB 4.29Å; Y1012-Q1036 HydrophobicContact CE1-CB 3.97Å; Y1012-Q1036 PolarHBondContact OH-OE1 3.44Å; Y1012-S1037 VanDerWaalsContact O-CB 3.27Å; Y1012-S1037 WeakPolarHBondContact O-CB 3.34Å; Y1012-L1040 HydrophobicContact CD2-CD1 3.67Å; Y1012-L1040 HydrophobicContact CE2-CD1 4.37Å; Y1012-L1040 HydrophobicContact CG-CD1 3.98Å |
| 1013 | Q | 92.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 174.5 | -73.9 | -164 | 32.8 | 0 | 0 | 111.7 | N1008 H1009 Y1010 R1011 I1015 Y1016 Y1017 F1041 | N1008-Q1013 PolarHBondContact O-NE2 3.23Å; H1009-Q1013 PolarHBondContact O-N 3.1Å; Y1010-Q1013 WeakPolarHBondContact O-CB 3.28Å; Y1010-Q1013 PolarHBondContact O-N 3.39Å; Y1010-Q1013 VanDerWaalsContact O-N 3.13Å; R1011-Q1013 VanDerWaalsContact C-N 3.34Å; R1011-Q1013 PolarHBondContact O-N 3.21Å; Q1013-I1015 VanDerWaalsContact C-N 3.32Å; Q1013-I1015 PolarHBondContact O-N 3.37Å; Q1013-Y1016 PolarHBondContact O-N 3.18Å; Q1013-Y1017 VanDerWaalsContact O-CD2 3.32Å; Q1013-Y1017 WeakPolarHBondContact O-CD2 3.28Å; Q1013-Y1017 PolarHBondContact O-N 2.5Å; Q1013-Y1017 VanDerWaalsContact O-N 3.12Å; Q1013-F1041 HydrophobicContact CB-CE2 4.3Å; Q1013-F1041 HydrophobicContact CB-CZ 4.25Å; Q1013-F1041 HydrophobicContact CG-CD1 4.46Å; Q1013-F1041 HydrophobicContact CG-CD2 4.48Å; Q1013-F1041 HydrophobicContact CG-CE1 3.62Å; Q1013-F1041 HydrophobicContact CG-CE2 3.66Å; Q1013-F1041 HydrophobicContact CG-CZ 3.16Å |
| 1014 | I | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 178.5 | -59 | -59.8 | 0 | 0 | 0 | 110.3 | I984 L996 L998 Y1010 R1011 Y1016 Y1017 I1018 I1021 L1024 | I984-I1014 HydrophobicContact CD1-CD1 3.37Å; I984-I1014 HydrophobicContact CG1-CD1 3.46Å; I984-I1014 VanDerWaalsContact CG1-CD1 3.46Å; L996-I1014 HydrophobicContact CD2-CG2 3.94Å; L998-I1014 HydrophobicContact CD1-CD1 4.01Å; L998-I1014 HydrophobicContact CD1-CG1 4.48Å; Y1010-I1014 HydrophobicContact CD2-CD1 4.25Å; Y1010-I1014 HydrophobicContact CD2-CG1 3.91Å; Y1010-I1014 HydrophobicContact CE2-CD1 3.79Å; Y1010-I1014 HydrophobicContact CE2-CG1 3.48Å; Y1010-I1014 VanDerWaalsContact CE2-CG1 3.48Å; Y1010-I1014 WeakPolarHBondContact O-CG1 3.41Å; Y1010-I1014 PolarHBondContact O-N 3.4Å; R1011-I1014 PolarHBondContact O-N 3.35Å; I1014-Y1016 VanDerWaalsContact C-N 3.34Å; I1014-Y1016 PolarHBondContact O-N 3.36Å; I1014-Y1017 PolarHBondContact O-N 3.48Å; I1014-I1018 HydrophobicContact CG2-CD1 4Å; I1014-I1018 HydrophobicContact CG2-CG1 4.5Å; I1014-I1018 WeakPolarHBondContact O-CB 3.4Å; I1014-I1018 PolarHBondContact O-N 3.29Å; I1014-I1021 HydrophobicContact CG2-CD1 3.75Å; I1014-L1024 HydrophobicContact CB-CD2 3.66Å; I1014-L1024 HydrophobicContact CG1-CD2 4.19Å; I1014-L1024 HydrophobicContact CG2-CD1 3.95Å; I1014-L1024 HydrophobicContact CG2-CD2 3.69Å; I1014-L1024 HydrophobicContact CG2-CG 4.49Å |
| 1015 | I | 95.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 179.2 | -67.2 | 167.9 | 0 | 0 | 0 | 111.4 | R1011 Y1012 Q1013 L1024 I1029 E1033 L1034 | R1011-I1015 HydrophobicContact CG-CD1 3.99Å; R1011-I1015 WeakPolarHBondContact O-CD1 3.49Å; R1011-I1015 VanDerWaalsContact O-CG1 3.23Å; R1011-I1015 WeakPolarHBondContact O-CG1 3.48Å; R1011-I1015 PolarHBondContact O-N 3.13Å; R1011-I1015 VanDerWaalsContact O-N 3.14Å; Y1012-I1015 PolarHBondContact O-N 3.39Å; Q1013-I1015 VanDerWaalsContact C-N 3.32Å; Q1013-I1015 PolarHBondContact O-N 3.37Å; I1015-L1024 HydrophobicContact CG1-CD2 4.33Å; I1015-I1029 HydrophobicContact CD1-CD1 4.41Å; I1015-I1029 HydrophobicContact CD1-CG1 4.08Å; I1015-I1029 HydrophobicContact CD1-CG2 4.05Å; I1015-I1029 HydrophobicContact CG1-CD1 3.86Å; I1015-I1029 HydrophobicContact CG1-CG1 4.09Å; I1015-I1029 HydrophobicContact CG1-CG2 4.34Å; I1015-I1029 HydrophobicContact CG2-CG2 4.23Å; I1015-E1033 HydrophobicContact CD1-CB 4.02Å; I1015-L1034 HydrophobicContact CG2-CD2 3.57Å; I1015-L1034 HydrophobicContact CG2-CG 4.41Å |
| 1016 | Y | 93.8 | Very high | 92.4 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 15% | 0.145 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -44.7 | -179.3 | 177.6 | -106.6 | 0 | 0 | 0 | 112.8 | Y1012 Q1013 I1014 F1041 N1042 | Y1012-Y1016 WeakPolarHBondContact O-CB 3.34Å; Y1012-Y1016 PolarHBondContact O-N 3.31Å; Q1013-Y1016 PolarHBondContact O-N 3.18Å; I1014-Y1016 VanDerWaalsContact C-N 3.34Å; I1014-Y1016 PolarHBondContact O-N 3.36Å; Y1016-F1041 HydrophobicContact CD1-CB 3.63Å; Y1016-F1041 HydrophobicContact CD1-CD2 4.49Å; Y1016-F1041 HydrophobicContact CD1-CG 4.28Å; Y1016-F1041 HydrophobicContact CD2-CB 3.97Å; Y1016-F1041 HydrophobicContact CE1-CB 3.72Å; Y1016-F1041 HydrophobicContact CE2-CB 4.08Å; Y1016-F1041 HydrophobicContact CG-CB 3.75Å; Y1016-F1041 HydrophobicContact CG-CD2 4.17Å; Y1016-F1041 HydrophobicContact CG-CG 4.33Å; Y1016-N1042 HydrophobicContact CE2-CB 4.08Å |
| 1017 | Y | 92.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -84.1 | -35.7 | -175.2 | -77.4 | -74.7 | 0 | 0 | 0 | 113.4 | F981 I984 Q1013 I1014 N1052 | F981-Y1017 AromaticContact CE2-CD2 3.83Å; F981-Y1017 HydrophobicContact CE2-CD2 3.83Å; F981-Y1017 AromaticContact CE2-CE2 3.7Å; F981-Y1017 HydrophobicContact CE2-CE2 3.7Å; F981-Y1017 HydrophobicContact CZ-CD1 4.3Å; F981-Y1017 AromaticContact CZ-CD2 3.68Å; F981-Y1017 HydrophobicContact CZ-CD2 3.68Å; F981-Y1017 HydrophobicContact CZ-CE1 4.07Å; F981-Y1017 AromaticContact CZ-CE2 3.44Å; F981-Y1017 HydrophobicContact CZ-CE2 3.44Å; F981-Y1017 VanDerWaalsContact CZ-CE2 3.44Å; F981-Y1017 HydrophobicContact CZ-CG 4.12Å; F981-Y1017 AromaticContact CZ-CZ 3.66Å; I984-Y1017 VanDerWaalsContact CG2-CB 3.41Å; I984-Y1017 HydrophobicContact CG2-CD2 4.44Å; I984-Y1017 HydrophobicContact CG2-CG 4.09Å; Q1013-Y1017 VanDerWaalsContact O-CD2 3.32Å; Q1013-Y1017 WeakPolarHBondContact O-CD2 3.28Å; Q1013-Y1017 PolarHBondContact O-N 2.5Å; Q1013-Y1017 VanDerWaalsContact O-N 3.12Å; I1014-Y1017 PolarHBondContact O-N 3.48Å; Y1017-N1052 HydrophobicContact CE1-CB 4.13Å |
| 1018 | I | 93.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -104.2 | 81.2 | -179.1 | -48.7 | -179.7 | 0 | 0 | 0 | 108.5 | I984 L987 L993 L996 I1014 S1020 I1021 | I984-I1018 HydrophobicContact CG2-CD1 4.15Å; I984-I1018 HydrophobicContact CG2-CG1 3.89Å; L987-I1018 HydrophobicContact CB-CD1 3.7Å; L987-I1018 HydrophobicContact CB-CG1 4.47Å; L987-I1018 HydrophobicContact CD1-CD1 4.11Å; L993-I1018 HydrophobicContact CD2-CG2 4.42Å; L996-I1018 HydrophobicContact CD2-CD1 3.63Å; I1014-I1018 HydrophobicContact CG2-CD1 4Å; I1014-I1018 HydrophobicContact CG2-CG1 4.5Å; I1014-I1018 WeakPolarHBondContact O-CB 3.4Å; I1014-I1018 PolarHBondContact O-N 3.29Å; I1018-S1020 PolarHBondContact O-N 2.82Å; I1018-S1020 VanDerWaalsContact O-N 3.16Å; I1018-I1021 HydrophobicContact CB-CG1 4.3Å; I1018-I1021 HydrophobicContact CG2-CG1 4.24Å; I1018-I1021 HydrophobicContact CG2-CG2 3.78Å; I1018-I1021 WeakPolarHBondContact O-CG1 3.17Å; I1018-I1021 PolarHBondContact O-N 3.37Å | ||
| 1019 | K | 91.9 | Very high | 93.7 | Very high | 165 Ų | 165 | 43.3 Ų | 43.3 | 72% | 0.717 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -12.9 | -173.1 | -62.1 | -173.7 | 177.6 | -174.1 | 0 | 115 | ||
| 1020 | S | 94.2 | Very high | 94 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -25.9 | -177.9 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | L990 K991 L993 I1018 | L990-S1020 PolarHBondContact O-OG 3.39Å; L990-S1020 VanDerWaalsContact O-OG 3.13Å; K991-S1020 WeakPolarHBondContact O-CB 3.06Å; L993-S1020 CarbonylContact O-C 3.28Å; L993-S1020 VanDerWaalsContact O-CB 3.28Å; L993-S1020 WeakPolarHBondContact O-CB 3.44Å; L993-S1020 PolarHBondContact O-OG 3.11Å; I1018-S1020 PolarHBondContact O-N 2.82Å; I1018-S1020 VanDerWaalsContact O-N 3.16Å |
| 1021 | I | 96 | Very high | 94 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | trans | -70.8 | 138.6 | -173.6 | 55.5 | 163.1 | 0 | 0 | 0 | 111 | L993 L996 I1014 I1018 L1024 I1029 | L993-I1021 HydrophobicContact CD2-CG2 4.13Å; L993-I1021 HydrophobicContact CG-CG2 3.99Å; L993-I1021 VanDerWaalsContact O-CA 3.3Å; L993-I1021 WeakPolarHBondContact O-CA 3.45Å; L993-I1021 WeakPolarHBondContact O-CG2 3.44Å; L993-I1021 PolarHBondContact O-N 2.65Å; L996-I1021 HydrophobicContact CB-CG2 3.84Å; I1014-I1021 HydrophobicContact CG2-CD1 3.75Å; I1018-I1021 HydrophobicContact CB-CG1 4.3Å; I1018-I1021 HydrophobicContact CG2-CG1 4.24Å; I1018-I1021 HydrophobicContact CG2-CG2 3.78Å; I1018-I1021 WeakPolarHBondContact O-CG1 3.17Å; I1018-I1021 PolarHBondContact O-N 3.37Å; I1021-L1024 HydrophobicContact CD1-CB 4.13Å; I1021-L1024 HydrophobicContact CD1-CD1 4.46Å; I1021-L1024 HydrophobicContact CD1-CD2 4.35Å; I1021-I1029 HydrophobicContact CB-CD1 4.22Å; I1021-I1029 HydrophobicContact CD1-CD1 3.66Å; I1021-I1029 HydrophobicContact CG1-CD1 3.66Å; I1021-I1029 WeakPolarHBondContact O-CD1 3.39Å | ||
| 1022 | K | 95.2 | Very high | 94 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -107 | -18.1 | 174.9 | -59.4 | -179.2 | -176.3 | 175.4 | 0 | 111.6 | N994 I1029 | N994-K1022 HydrophobicContact CB-CD 4.46Å; N994-K1022 PolarHBondContact O-N 3.36Å; N994-K1022 WeakPolarHBondContact OD1-CE 3.48Å; K1022-I1029 PolarHBondContact O-N 2.94Å |
| 1023 | S | 96 | Very high | 94 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 142.1 | 175.9 | -163.7 | 0 | 0 | 0 | 0 | 111.6 | M252 N994 L996 I1027 Q1028 | M252-S1023 WeakPolarHBondContact SD-CB 3.46Å; M252-S1023 PolarHBondContact SD-OG 2.88Å; N994-S1023 PolarHBondContact O-N 3.28Å; L996-S1023 PolarHBondContact N-O 3.22Å; L996-S1023 VanDerWaalsContact N-O 3.15Å; S1023-I1027 PolarHBondContact OG-O 3.22Å; S1023-Q1028 PolarHBondContact OG-N 3.47Å |
| 1024 | L | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.4 | -178.8 | 178 | 58.7 | 0 | 0 | 0 | 109.8 | L996 R1011 I1014 I1015 I1021 G1026 I1027 I1029 | L996-L1024 HydrophobicContact CB-CD1 4.33Å; L996-L1024 HydrophobicContact CD2-CD1 4.34Å; L996-L1024 HydrophobicContact CG-CD1 4.19Å; L996-L1024 VanDerWaalsContact O-CA 3.28Å; L996-L1024 WeakPolarHBondContact O-CA 3.42Å; L996-L1024 WeakPolarHBondContact O-CD1 3.28Å; R1011-L1024 HydrophobicContact CG-CD2 3.98Å; R1011-L1024 PolarHBondContact NH1-O 2.9Å; I1014-L1024 HydrophobicContact CB-CD2 3.66Å; I1014-L1024 HydrophobicContact CG1-CD2 4.19Å; I1014-L1024 HydrophobicContact CG2-CD1 3.95Å; I1014-L1024 HydrophobicContact CG2-CD2 3.69Å; I1014-L1024 HydrophobicContact CG2-CG 4.49Å; I1015-L1024 HydrophobicContact CG1-CD2 4.33Å; I1021-L1024 HydrophobicContact CD1-CB 4.13Å; I1021-L1024 HydrophobicContact CD1-CD1 4.46Å; I1021-L1024 HydrophobicContact CD1-CD2 4.35Å; L1024-G1026 VanDerWaalsContact C-N 3.31Å; L1024-G1026 PolarHBondContact O-N 3.42Å; L1024-I1027 PolarHBondContact N-O 3.37Å; L1024-I1027 PolarHBondContact O-N 2.87Å; L1024-I1029 HydrophobicContact CB-CD1 4.34Å; L1024-I1029 HydrophobicContact CB-CG1 4.43Å |
| 1025 | D | 94.4 | Very high | 94 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 43.4 | 173.9 | -59.3 | -32.7 | 0 | 0 | 0 | 113.1 | L996 L998 T999 Y1010 I1027 | L996-D1025 PolarHBondContact O-N 3.47Å; L998-D1025 WeakPolarHBondContact CA-OD1 3.02Å; L998-D1025 PolarHBondContact N-OD1 2.85Å; T999-D1025 PolarHBondContact N-OD1 3.38Å; T999-D1025 WeakPolarHBondContact OG1-CB 3.18Å; T999-D1025 PolarHBondContact OG1-OD1 2.91Å; Y1010-D1025 WeakPolarHBondContact CE1-OD2 3.49Å; Y1010-D1025 PolarHBondContact OH-OD2 2.79Å; D1025-I1027 PolarHBondContact O-N 3.29Å |
| 1026 | G | 90.5 | Very high | 93.9 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -1.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M252 L1024 | M252-G1026 VanDerWaalsContact CE-O 3.32Å; M252-G1026 WeakPolarHBondContact CE-O 3.23Å; L1024-G1026 VanDerWaalsContact C-N 3.31Å; L1024-G1026 PolarHBondContact O-N 3.42Å |
| 1027 | I | 91.5 | Very high | 93.9 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.1 | -173.7 | -54.9 | 172.6 | 0 | 0 | 0 | 110.5 | S1023 L1024 D1025 | S1023-I1027 PolarHBondContact OG-O 3.22Å; L1024-I1027 PolarHBondContact N-O 3.37Å; L1024-I1027 PolarHBondContact O-N 2.87Å; D1025-I1027 PolarHBondContact O-N 3.29Å |
| 1028 | Q | 93.1 | Very high | 94 | Very high | 114 Ų | 114 | 57.4 Ų | 57.4 | 53% | 0.533 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 144.3 | 176.7 | -68.9 | -176.7 | -5.9 | 0 | 0 | 111.5 | Y249 R1011 S1023 | Y249-Q1028 VanDerWaalsContact CD2-NE2 3.34Å; R1011-Q1028 PolarHBondContact NH2-O 2.93Å; S1023-Q1028 PolarHBondContact OG-N 3.47Å |
| 1029 | I | 95.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 64 Ų | 64 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 128.6 | 178 | -64.7 | 162.4 | 0 | 0 | 0 | 109 | I1015 I1021 K1022 L1024 E1033 L1034 | I1015-I1029 HydrophobicContact CD1-CD1 4.41Å; I1015-I1029 HydrophobicContact CD1-CG1 4.08Å; I1015-I1029 HydrophobicContact CD1-CG2 4.05Å; I1015-I1029 HydrophobicContact CG1-CD1 3.86Å; I1015-I1029 HydrophobicContact CG1-CG1 4.09Å; I1015-I1029 HydrophobicContact CG1-CG2 4.34Å; I1015-I1029 HydrophobicContact CG2-CG2 4.23Å; I1021-I1029 HydrophobicContact CB-CD1 4.22Å; I1021-I1029 HydrophobicContact CD1-CD1 3.66Å; I1021-I1029 HydrophobicContact CG1-CD1 3.66Å; I1021-I1029 WeakPolarHBondContact O-CD1 3.39Å; K1022-I1029 PolarHBondContact O-N 2.94Å; L1024-I1029 HydrophobicContact CB-CD1 4.34Å; L1024-I1029 HydrophobicContact CB-CG1 4.43Å; I1029-E1033 WeakPolarHBondContact CA-OE2 3.34Å; I1029-E1033 HydrophobicContact CG2-CB 4.42Å; I1029-L1034 HydrophobicContact CG2-CD2 4.29Å; I1029-L1034 HydrophobicContact CG2-CG 4.05Å |
| 1030 | T | 94.3 | Very high | 93.5 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 159.9 | 178.3 | 66 | 0 | 0 | 0 | 0 | 112 | N1032 E1033 L1034 | T1030-N1032 PolarHBondContact O-N 3.08Å; T1030-E1033 PolarHBondContact N-OE2 2.95Å; T1030-E1033 PolarHBondContact O-N 3.43Å; T1030-E1033 VanDerWaalsContact OG1-CG 3.25Å; T1030-E1033 WeakPolarHBondContact OG1-CG 3.3Å; T1030-E1033 PolarHBondContact OG1-N 3.45Å; T1030-E1033 PolarHBondContact OG1-OE2 3.2Å; T1030-L1034 PolarHBondContact O-N 3Å |
| 1031 | S | 93.6 | Very high | 93.3 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 58% | 0.58 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.9 | -35.3 | 174 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | L1034 I1035 | S1031-L1034 WeakPolarHBondContact O-CB 3.21Å; S1031-L1034 PolarHBondContact O-N 3.12Å; S1031-I1035 WeakPolarHBondContact O-CG1 3.44Å; S1031-I1035 PolarHBondContact O-N 3Å |
| 1032 | N | 94.3 | Very high | 93.1 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 178.1 | -68.7 | -9.9 | 0 | 0 | 0 | 111.3 | T1030 L1034 I1035 Q1036 | T1030-N1032 PolarHBondContact O-N 3.08Å; N1032-L1034 VanDerWaalsContact C-N 3.31Å; N1032-L1034 PolarHBondContact O-N 3.38Å; N1032-I1035 PolarHBondContact O-N 2.74Å; N1032-Q1036 WeakPolarHBondContact O-CB 3.4Å; N1032-Q1036 WeakPolarHBondContact O-CG 3.17Å; N1032-Q1036 PolarHBondContact O-N 2.75Å |
| 1033 | E | 96.1 | Very high | 93 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -33.3 | 175.9 | -67.2 | 170.3 | 115.6 | 0 | 0 | 112.3 | R1011 Y1012 I1015 I1029 T1030 S1037 | R1011-E1033 IonicContact CZ-OE1 3.57Å; R1011-E1033 IonicContact NE-OE1 3.66Å; R1011-E1033 PolarHBondContact NE-OE1 2.89Å; R1011-E1033 IonicContact NH2-OE1 3.49Å; R1011-E1033 PolarHBondContact NH2-OE1 3.45Å; R1011-E1033 IonicContact NH2-OE2 3.96Å; R1011-E1033 PolarHBondContact NH2-OE2 3.38Å; Y1012-E1033 HydrophobicContact CD1-CB 4.43Å; Y1012-E1033 HydrophobicContact CE1-CB 4.06Å; Y1012-E1033 HydrophobicContact CE1-CG 3.97Å; I1015-E1033 HydrophobicContact CD1-CB 4.02Å; I1029-E1033 WeakPolarHBondContact CA-OE2 3.34Å; I1029-E1033 HydrophobicContact CG2-CB 4.42Å; T1030-E1033 PolarHBondContact N-OE2 2.95Å; T1030-E1033 PolarHBondContact O-N 3.43Å; T1030-E1033 VanDerWaalsContact OG1-CG 3.25Å; T1030-E1033 WeakPolarHBondContact OG1-CG 3.3Å; T1030-E1033 PolarHBondContact OG1-N 3.45Å; T1030-E1033 PolarHBondContact OG1-OE2 3.2Å; E1033-S1037 WeakPolarHBondContact O-CB 3.38Å; E1033-S1037 PolarHBondContact O-N 2.83Å; E1033-S1037 PolarHBondContact O-OG 3.49Å |
| 1034 | L | 94.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 42% | 0.424 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 172.1 | -71.1 | 169.1 | 0 | 0 | 0 | 112 | I1015 I1029 T1030 S1031 N1032 S1037 N1038 | I1015-L1034 HydrophobicContact CG2-CD2 3.57Å; I1015-L1034 HydrophobicContact CG2-CG 4.41Å; I1029-L1034 HydrophobicContact CG2-CD2 4.29Å; I1029-L1034 HydrophobicContact CG2-CG 4.05Å; T1030-L1034 PolarHBondContact O-N 3Å; S1031-L1034 WeakPolarHBondContact O-CB 3.21Å; S1031-L1034 PolarHBondContact O-N 3.12Å; N1032-L1034 VanDerWaalsContact C-N 3.31Å; N1032-L1034 PolarHBondContact O-N 3.38Å; L1034-S1037 WeakPolarHBondContact CA-OG 3.28Å; L1034-S1037 PolarHBondContact O-OG 2.79Å; L1034-N1038 PolarHBondContact O-N 3.47Å; L1034-N1038 PolarHBondContact O-ND2 2.77Å |
| 1035 | I | 93 | Very high | 92.6 | Very high | 92 Ų | 92 | 58 Ų | 58 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.9 | -51.2 | 176.1 | -66.1 | 165.4 | 0 | 0 | 0 | 109.7 | S1031 N1032 S1037 N1038 E1039 | S1031-I1035 WeakPolarHBondContact O-CG1 3.44Å; S1031-I1035 PolarHBondContact O-N 3Å; N1032-I1035 PolarHBondContact O-N 2.74Å; I1035-S1037 PolarHBondContact O-N 2.93Å; I1035-N1038 PolarHBondContact O-N 3.2Å; I1035-N1038 VanDerWaalsContact O-N 3.13Å; I1035-E1039 HydrophobicContact CG2-CG 4.4Å; I1035-E1039 WeakPolarHBondContact O-CG 3.11Å; I1035-E1039 PolarHBondContact O-N 3.14Å |
| 1036 | Q | 92.7 | Very high | 92.3 | Very high | 81 Ų | 81 | 57.4 Ų | 57.4 | 38% | 0.379 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | -179.4 | -72.7 | 175.2 | -30.6 | 0 | 0 | 112.6 | Y1012 N1032 N1038 E1039 L1040 | Y1012-Q1036 HydrophobicContact CD1-CB 4.29Å; Y1012-Q1036 HydrophobicContact CE1-CB 3.97Å; Y1012-Q1036 PolarHBondContact OH-OE1 3.44Å; N1032-Q1036 WeakPolarHBondContact O-CB 3.4Å; N1032-Q1036 WeakPolarHBondContact O-CG 3.17Å; N1032-Q1036 PolarHBondContact O-N 2.75Å; Q1036-N1038 VanDerWaalsContact C-N 3.33Å; Q1036-N1038 PolarHBondContact O-N 2.94Å; Q1036-E1039 PolarHBondContact O-N 3.18Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.37Å; Q1036-L1040 VanDerWaalsContact O-CG 3.27Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.4Å; Q1036-L1040 PolarHBondContact O-N 2.87Å |
| 1037 | S | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.007 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 175.3 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | Y1012 E1033 L1034 I1035 F1041 | Y1012-S1037 VanDerWaalsContact O-CB 3.27Å; Y1012-S1037 WeakPolarHBondContact O-CB 3.34Å; E1033-S1037 WeakPolarHBondContact O-CB 3.38Å; E1033-S1037 PolarHBondContact O-N 2.83Å; E1033-S1037 PolarHBondContact O-OG 3.49Å; L1034-S1037 WeakPolarHBondContact CA-OG 3.28Å; L1034-S1037 PolarHBondContact O-OG 2.79Å; I1035-S1037 PolarHBondContact O-N 2.93Å; S1037-F1041 VanDerWaalsContact O-CD2 3.23Å; S1037-F1041 WeakPolarHBondContact O-CD2 3.49Å; S1037-F1041 PolarHBondContact O-N 3.12Å |
| 1038 | N | 92.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 173 | -78.8 | -55.2 | 0 | 0 | 0 | 112 | L1034 I1035 Q1036 L1040 F1041 N1042 | L1034-N1038 PolarHBondContact O-N 3.47Å; L1034-N1038 PolarHBondContact O-ND2 2.77Å; I1035-N1038 PolarHBondContact O-N 3.2Å; I1035-N1038 VanDerWaalsContact O-N 3.13Å; Q1036-N1038 VanDerWaalsContact C-N 3.33Å; Q1036-N1038 PolarHBondContact O-N 2.94Å; N1038-L1040 VanDerWaalsContact C-N 3.29Å; N1038-L1040 PolarHBondContact O-N 3.02Å; N1038-F1041 PolarHBondContact O-N 3.49Å; N1038-N1042 HydrophobicContact CB-CB 4.5Å; N1038-N1042 WeakPolarHBondContact O-CA 2.89Å; N1038-N1042 WeakPolarHBondContact O-CB 2.92Å; N1038-N1042 PolarHBondContact O-N 3.06Å |
| 1039 | E | 88.4 | Confident | 91.7 | Very high | 138 Ų | 138 | 51 Ų | 51 | 65% | 0.645 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.2 | -36.5 | 177.5 | -73 | 177.4 | 168.8 | 0 | 0 | 112.6 | I1035 Q1036 | I1035-E1039 HydrophobicContact CG2-CG 4.4Å; I1035-E1039 WeakPolarHBondContact O-CG 3.11Å; I1035-E1039 PolarHBondContact O-N 3.14Å; Q1036-E1039 PolarHBondContact O-N 3.18Å |
| 1040 | L | 87.3 | Confident | 91.5 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.7 | -31 | -179.2 | -73.2 | 171 | 0 | 0 | 0 | 114.1 | H1009 Y1012 Q1036 N1038 | H1009-L1040 HydrophobicContact CB-CD1 4.41Å; Y1012-L1040 HydrophobicContact CD2-CD1 3.67Å; Y1012-L1040 HydrophobicContact CE2-CD1 4.37Å; Y1012-L1040 HydrophobicContact CG-CD1 3.98Å; Q1036-L1040 WeakPolarHBondContact O-CB 3.37Å; Q1036-L1040 VanDerWaalsContact O-CG 3.27Å; Q1036-L1040 WeakPolarHBondContact O-CG 3.4Å; Q1036-L1040 PolarHBondContact O-N 2.87Å; N1038-L1040 VanDerWaalsContact C-N 3.29Å; N1038-L1040 PolarHBondContact O-N 3.02Å |
| 1041 | F | 90.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -124.8 | -19 | -168.7 | -58.5 | -63.1 | 0 | 0 | 0 | 115.1 | H1009 Q1013 Y1016 S1037 N1038 G1043 H1044 | H1009-F1041 HydrophobicContact CB-CZ 4.04Å; Q1013-F1041 HydrophobicContact CB-CE2 4.3Å; Q1013-F1041 HydrophobicContact CB-CZ 4.25Å; Q1013-F1041 HydrophobicContact CG-CD1 4.46Å; Q1013-F1041 HydrophobicContact CG-CD2 4.48Å; Q1013-F1041 HydrophobicContact CG-CE1 3.62Å; Q1013-F1041 HydrophobicContact CG-CE2 3.66Å; Q1013-F1041 HydrophobicContact CG-CZ 3.16Å; Y1016-F1041 HydrophobicContact CD1-CB 3.63Å; Y1016-F1041 HydrophobicContact CD1-CD2 4.49Å; Y1016-F1041 HydrophobicContact CD1-CG 4.28Å; Y1016-F1041 HydrophobicContact CD2-CB 3.97Å; Y1016-F1041 HydrophobicContact CE1-CB 3.72Å; Y1016-F1041 HydrophobicContact CE2-CB 4.08Å; Y1016-F1041 HydrophobicContact CG-CB 3.75Å; Y1016-F1041 HydrophobicContact CG-CD2 4.17Å; Y1016-F1041 HydrophobicContact CG-CG 4.33Å; S1037-F1041 VanDerWaalsContact O-CD2 3.23Å; S1037-F1041 WeakPolarHBondContact O-CD2 3.49Å; S1037-F1041 PolarHBondContact O-N 3.12Å; N1038-F1041 PolarHBondContact O-N 3.49Å; F1041-G1043 PolarHBondContact O-N 2.88Å; F1041-H1044 PolarHBondContact O-N 2.72Å |
| 1042 | N | 91.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 115.4 | -176.4 | -170.5 | 25 | 0 | 0 | 0 | 111.5 | Y1016 N1038 H1044 | Y1016-N1042 HydrophobicContact CE2-CB 4.08Å; N1038-N1042 HydrophobicContact CB-CB 4.5Å; N1038-N1042 WeakPolarHBondContact O-CA 2.89Å; N1038-N1042 WeakPolarHBondContact O-CB 2.92Å; N1038-N1042 PolarHBondContact O-N 3.06Å; N1042-H1044 VanDerWaalsContact C-N 3.3Å |
| 1043 | G | 92.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 11.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1041 L1072 K1073 T1074 | F1041-G1043 PolarHBondContact O-N 2.88Å; G1043-L1072 CarbonylContact O-C 3.5Å; G1043-L1072 WeakPolarHBondContact O-CA 3.47Å; G1043-K1073 PolarHBondContact O-N 3.41Å; G1043-T1074 PolarHBondContact O-N 3.03Å |
| 1044 | H | 92.5 | Very high | 90.3 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 17% | 0.167 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 128.8 | 173.3 | -77.2 | -117.2 | 0 | 0 | 0 | 110.4 | F1041 N1042 T1046 T1074 D1076 | F1041-H1044 PolarHBondContact O-N 2.72Å; N1042-H1044 VanDerWaalsContact C-N 3.3Å; H1044-T1046 HydrophobicContact CB-CG2 4.08Å; H1044-T1046 PolarHBondContact O-N 3.02Å; H1044-T1074 PolarHBondContact CD2-OG1 3.49Å; H1044-T1074 PolarHBondContact CE1-OG1 3.2Å; H1044-T1074 PolarHBondContact ND1-OG1 2.99Å; H1044-T1074 PolarHBondContact NE2-OG1 3.47Å; H1044-T1074 VanDerWaalsContact NE2-OG1 3.13Å; H1044-D1076 IonicContact CE1-OD1 2.72Å; H1044-D1076 IonicContact CG-OD2 3.02Å; H1044-D1076 IonicContact ND1-OD1 3.5Å; H1044-D1076 PolarHBondContact ND1-OD1 3.18Å; H1044-D1076 IonicContact ND1-OD2 2.95Å; H1044-D1076 PolarHBondContact ND1-OD2 2.97Å |
| 1045 | L | 92.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 101.8 | 169.7 | 179.8 | 56.8 | 0 | 0 | 0 | 109.6 | Y1049 L1050 L1067 L1072 T1074 I1075 D1076 I1078 L1091 | L1045-Y1049 HydrophobicContact CD1-CD1 3.6Å; L1045-Y1049 HydrophobicContact CD1-CE1 4.16Å; L1045-Y1049 HydrophobicContact CD1-CG 4.35Å; L1045-L1050 HydrophobicContact CD1-CD2 3.81Å; L1045-L1050 HydrophobicContact CD1-CG 3.97Å; L1045-L1067 HydrophobicContact CD1-CD1 3.72Å; L1045-L1067 HydrophobicContact CD2-CD1 3.74Å; L1045-L1067 HydrophobicContact CG-CD1 4.41Å; L1045-L1072 HydrophobicContact CB-CD1 4.27Å; L1045-L1072 HydrophobicContact CB-CD2 4.12Å; L1045-L1072 HydrophobicContact CD2-CD1 4.34Å; L1045-T1074 PolarHBondContact N-O 3.03Å; L1045-I1075 HydrophobicContact CB-CG1 4.31Å; L1045-I1075 HydrophobicContact CB-CG2 4.42Å; L1045-I1075 HydrophobicContact CD2-CG1 4.28Å; L1045-I1075 HydrophobicContact CD2-CG2 4.17Å; L1045-I1075 HydrophobicContact CG-CG2 4.5Å; L1045-D1076 PolarHBondContact O-N 3.32Å; L1045-I1078 HydrophobicContact CD1-CD1 4.44Å; L1045-I1078 HydrophobicContact CG-CD1 3.98Å; L1045-L1091 HydrophobicContact CD2-CD2 4.37Å |
| 1046 | T | 87.7 | Confident | 89.2 | Confident | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | trans | -116.6 | 172.7 | 176.6 | 81.5 | 0 | 0 | 0 | 0 | 111.9 | H1044 E1048 Y1049 L1050 D1076 | H1044-T1046 HydrophobicContact CB-CG2 4.08Å; H1044-T1046 PolarHBondContact O-N 3.02Å; T1046-E1048 VanDerWaalsContact C-N 3.3Å; T1046-E1048 WeakPolarHBondContact CB-OE2 3.3Å; T1046-E1048 PolarHBondContact O-N 3.28Å; T1046-E1048 PolarHBondContact OG1-N 2.8Å; T1046-E1048 PolarHBondContact OG1-OE2 3.37Å; T1046-Y1049 WeakPolarHBondContact O-CB 3.29Å; T1046-Y1049 PolarHBondContact O-N 2.76Å; T1046-Y1049 PolarHBondContact OG1-N 3.04Å; T1046-Y1049 VanDerWaalsContact OG1-N 3.11Å; T1046-L1050 PolarHBondContact O-N 3.32Å; T1046-L1050 VanDerWaalsContact O-N 3.14Å; T1046-D1076 HydrophobicContact CG2-CB 4.21Å; T1046-D1076 WeakPolarHBondContact CG2-OD2 3.1Å | ||
| 1047 | N | 86.5 | Confident | 88.2 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 173 | -172.3 | 33.3 | 0 | 0 | 0 | 111.3 | Y1049 L1050 I1051 F1059 | N1047-Y1049 VanDerWaalsContact C-N 3.35Å; N1047-Y1049 PolarHBondContact O-N 3.26Å; N1047-L1050 WeakPolarHBondContact O-CB 3.25Å; N1047-L1050 PolarHBondContact O-N 3.41Å; N1047-I1051 WeakPolarHBondContact O-CG1 3.44Å; N1047-I1051 PolarHBondContact O-N 3.34Å; N1047-F1059 WeakPolarHBondContact OD1-CZ 3.32Å |
| 1048 | E | 86.9 | Confident | 87.5 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 19% | 0.192 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 177.3 | -61.1 | 75 | -160.7 | 0 | 0 | 111.9 | F981 T1046 L1050 I1051 N1052 | F981-E1048 HydrophobicContact CD1-CB 4.14Å; F981-E1048 HydrophobicContact CD1-CG 4.19Å; F981-E1048 HydrophobicContact CD2-CB 4.04Å; F981-E1048 HydrophobicContact CD2-CG 3.53Å; F981-E1048 HydrophobicContact CE1-CB 3.83Å; F981-E1048 HydrophobicContact CE1-CG 4.32Å; F981-E1048 HydrophobicContact CE2-CB 3.75Å; F981-E1048 HydrophobicContact CE2-CG 3.7Å; F981-E1048 HydrophobicContact CG-CB 4.27Å; F981-E1048 HydrophobicContact CG-CG 3.83Å; F981-E1048 HydrophobicContact CZ-CB 3.67Å; F981-E1048 HydrophobicContact CZ-CG 4.12Å; T1046-E1048 VanDerWaalsContact C-N 3.3Å; T1046-E1048 WeakPolarHBondContact CB-OE2 3.3Å; T1046-E1048 PolarHBondContact O-N 3.28Å; T1046-E1048 PolarHBondContact OG1-N 2.8Å; T1046-E1048 PolarHBondContact OG1-OE2 3.37Å; E1048-L1050 VanDerWaalsContact C-N 3.31Å; E1048-L1050 PolarHBondContact O-N 3.44Å; E1048-I1051 PolarHBondContact O-N 2.77Å; E1048-N1052 WeakPolarHBondContact O-CB 3.49Å; E1048-N1052 PolarHBondContact O-N 3.13Å |
| 1049 | Y | 89.8 | Confident | 87.2 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 172.7 | -179.2 | -83.5 | 0 | 0 | 0 | 110.5 | L1045 T1046 N1047 N1052 Y1053 L1067 L1072 | L1045-Y1049 HydrophobicContact CD1-CD1 3.6Å; L1045-Y1049 HydrophobicContact CD1-CE1 4.16Å; L1045-Y1049 HydrophobicContact CD1-CG 4.35Å; T1046-Y1049 WeakPolarHBondContact O-CB 3.29Å; T1046-Y1049 PolarHBondContact O-N 2.76Å; T1046-Y1049 PolarHBondContact OG1-N 3.04Å; T1046-Y1049 VanDerWaalsContact OG1-N 3.11Å; N1047-Y1049 VanDerWaalsContact C-N 3.35Å; N1047-Y1049 PolarHBondContact O-N 3.26Å; Y1049-N1052 PolarHBondContact O-N 3.47Å; Y1049-Y1053 HydrophobicContact CE1-CD2 4.42Å; Y1049-Y1053 HydrophobicContact CE1-CG 4.3Å; Y1049-Y1053 VanDerWaalsContact O-CB 3.26Å; Y1049-Y1053 WeakPolarHBondContact O-CB 3.44Å; Y1049-Y1053 PolarHBondContact O-N 3.2Å; Y1049-L1067 HydrophobicContact CE1-CD2 4.15Å; Y1049-L1072 HydrophobicContact CE1-CD2 4.42Å; Y1049-L1072 HydrophobicContact CE2-CD2 4.3Å |
| 1050 | L | 90 | Very high | 87.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.8 | -44.1 | 178 | -69.9 | 178.3 | 0 | 0 | 0 | 112.5 | L1045 T1046 N1047 E1048 N1052 Y1053 L1054 F1059 L1065 L1067 I1078 L1083 | L1045-L1050 HydrophobicContact CD1-CD2 3.81Å; L1045-L1050 HydrophobicContact CD1-CG 3.97Å; T1046-L1050 PolarHBondContact O-N 3.32Å; T1046-L1050 VanDerWaalsContact O-N 3.14Å; N1047-L1050 WeakPolarHBondContact O-CB 3.25Å; N1047-L1050 PolarHBondContact O-N 3.41Å; E1048-L1050 VanDerWaalsContact C-N 3.31Å; E1048-L1050 PolarHBondContact O-N 3.44Å; L1050-N1052 VanDerWaalsContact C-N 3.25Å; L1050-N1052 PolarHBondContact O-N 3.27Å; L1050-Y1053 PolarHBondContact O-N 2.73Å; L1050-L1054 HydrophobicContact CB-CD1 4.38Å; L1050-L1054 VanDerWaalsContact O-CB 3.27Å; L1050-L1054 WeakPolarHBondContact O-CB 3.35Å; L1050-L1054 WeakPolarHBondContact O-CG 3.46Å; L1050-L1054 PolarHBondContact O-N 2.91Å; L1050-F1059 HydrophobicContact CB-CE1 4.17Å; L1050-F1059 HydrophobicContact CB-CE2 4.22Å; L1050-F1059 HydrophobicContact CB-CZ 3.73Å; L1050-F1059 HydrophobicContact CD1-CE2 3.82Å; L1050-F1059 HydrophobicContact CD1-CZ 4.07Å; L1050-L1065 HydrophobicContact CD2-CD2 3.98Å; L1050-L1067 HydrophobicContact CD2-CD1 4.16Å; L1050-I1078 HydrophobicContact CD1-CD1 3.86Å; L1050-L1083 HydrophobicContact CD1-CD1 3.87Å |
| 1051 | I | 88.3 | Confident | 87.3 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 175.5 | -65.8 | 167 | 0 | 0 | 0 | 110.1 | F981 L985 N1047 E1048 N1055 F1059 | F981-I1051 HydrophobicContact CD1-CB 4.46Å; F981-I1051 HydrophobicContact CD1-CG2 4.21Å; L985-I1051 HydrophobicContact CD1-CG2 3.92Å; N1047-I1051 WeakPolarHBondContact O-CG1 3.44Å; N1047-I1051 PolarHBondContact O-N 3.34Å; E1048-I1051 PolarHBondContact O-N 2.77Å; I1051-N1055 WeakPolarHBondContact O-CA 3.37Å; I1051-N1055 PolarHBondContact O-N 3.32Å; I1051-F1059 HydrophobicContact CG1-CE1 3.82Å; I1051-F1059 HydrophobicContact CG1-CZ 4.44Å |
| 1052 | N | 88.5 | Confident | 87.4 | Confident | 44 Ų | 44 | 48.7 Ų | 48.7 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70 | -41.9 | 177.7 | 173.2 | 61.5 | 0 | 0 | 0 | 112.8 | L985 K988 Y1017 E1048 Y1049 L1050 | L985-N1052 HydrophobicContact CD2-CB 3.88Å; L985-N1052 WeakPolarHBondContact CD2-OD1 3.5Å; K988-N1052 PolarHBondContact NZ-OD1 3.18Å; Y1017-N1052 HydrophobicContact CE1-CB 4.13Å; E1048-N1052 WeakPolarHBondContact O-CB 3.49Å; E1048-N1052 PolarHBondContact O-N 3.13Å; Y1049-N1052 PolarHBondContact O-N 3.47Å; L1050-N1052 VanDerWaalsContact C-N 3.25Å; L1050-N1052 PolarHBondContact O-N 3.27Å |
| 1053 | Y | 89.2 | Confident | 87.5 | Confident | 114 Ų | 114 | 48 Ų | 48 | 45% | 0.447 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.4 | -46.7 | -178 | -179.4 | -100.4 | 0 | 0 | 0 | 112.1 | Y1049 L1050 N1066 L1067 | Y1049-Y1053 HydrophobicContact CE1-CD2 4.42Å; Y1049-Y1053 HydrophobicContact CE1-CG 4.3Å; Y1049-Y1053 VanDerWaalsContact O-CB 3.26Å; Y1049-Y1053 WeakPolarHBondContact O-CB 3.44Å; Y1049-Y1053 PolarHBondContact O-N 3.2Å; L1050-Y1053 PolarHBondContact O-N 2.73Å; Y1053-N1066 PolarHBondContact OH-O 3.13Å; Y1053-L1067 HydrophobicContact CD1-CD2 3.78Å; Y1053-L1067 HydrophobicContact CE1-CD2 3.59Å; Y1053-L1067 HydrophobicContact CE2-CD2 4.44Å; Y1053-L1067 HydrophobicContact CG-CD2 4.28Å |
| 1054 | L | 88.2 | Confident | 87.7 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -81.6 | -23.3 | -179.3 | -60.7 | 171.3 | 0 | 0 | 0 | 112.5 | L1050 L1056 F1059 L1062 L1065 | L1050-L1054 HydrophobicContact CB-CD1 4.38Å; L1050-L1054 VanDerWaalsContact O-CB 3.27Å; L1050-L1054 WeakPolarHBondContact O-CB 3.35Å; L1050-L1054 WeakPolarHBondContact O-CG 3.46Å; L1050-L1054 PolarHBondContact O-N 2.91Å; L1054-L1056 HydrophobicContact CB-CB 4.28Å; L1054-L1056 HydrophobicContact CB-CD1 4.35Å; L1054-L1056 HydrophobicContact CB-CG 4.31Å; L1054-L1056 PolarHBondContact O-N 3.49Å; L1054-F1059 HydrophobicContact CD1-CB 3.97Å; L1054-F1059 HydrophobicContact CD1-CD1 3.92Å; L1054-F1059 HydrophobicContact CD1-CD2 4.34Å; L1054-F1059 HydrophobicContact CD1-CG 3.82Å; L1054-L1062 HydrophobicContact CD1-CD1 3.64Å; L1054-L1062 HydrophobicContact CD2-CD1 4.5Å; L1054-L1065 HydrophobicContact CD2-CD1 4.31Å |
| 1055 | N | 83.2 | Confident | 87.8 | Confident | 112 Ų | 112 | 53.4 Ų | 53.4 | 60% | 0.599 | 27% | 0.273 | S | S | * | . | trans | 56.3 | 35.9 | -171.3 | -164.9 | 28 | 0 | 0 | 0 | 113.1 | I1051 | I1051-N1055 WeakPolarHBondContact O-CA 3.37Å; I1051-N1055 PolarHBondContact O-N 3.32Å | ||
| 1056 | L | 80.4 | Confident | 88 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 45% | 0.445 | 29% | 0.294 | S | S | . | . | trans | -123.3 | 146.1 | -178.7 | -66.9 | 175.4 | 0 | 0 | 0 | 111.3 | L1054 | L1054-L1056 HydrophobicContact CB-CB 4.28Å; L1054-L1056 HydrophobicContact CB-CD1 4.35Å; L1054-L1056 HydrophobicContact CB-CG 4.31Å; L1054-L1056 PolarHBondContact O-N 3.49Å | ||
| 1057 | D | 72.4 | Confident | 88.4 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -85.7 | -28.1 | 179.7 | -66.2 | -20.4 | 0 | 0 | 0 | 112.9 | K982 | K982-D1057 WeakPolarHBondContact CD-OD1 3.47Å; K982-D1057 WeakPolarHBondContact CE-OD1 3.45Å; K982-D1057 IonicContact NZ-OD1 3.51Å; K982-D1057 PolarHBondContact NZ-OD1 3.37Å; K982-D1057 IonicContact NZ-OD2 3.48Å; K982-D1057 PolarHBondContact NZ-OD2 2.75Å |
| 1058 | N | 79.6 | Confident | 88.8 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | trans | -140.6 | 129 | 176.3 | -176.5 | 4.7 | 0 | 0 | 0 | 108.2 | S1060 | N1058-S1060 VanDerWaalsContact OD1-CB 3.29Å; N1058-S1060 WeakPolarHBondContact OD1-CB 3.43Å; N1058-S1060 PolarHBondContact OD1-N 3.24Å; N1058-S1060 PolarHBondContact OD1-OG 3.46Å | ||
| 1059 | F | 86 | Confident | 89.3 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | trans | -131.8 | 24.3 | 179.8 | 45.7 | -98.5 | 0 | 0 | 0 | 111.9 | N1047 L1050 I1051 L1054 N1061 L1062 Y1082 L1083 | N1047-F1059 WeakPolarHBondContact OD1-CZ 3.32Å; L1050-F1059 HydrophobicContact CB-CE1 4.17Å; L1050-F1059 HydrophobicContact CB-CE2 4.22Å; L1050-F1059 HydrophobicContact CB-CZ 3.73Å; L1050-F1059 HydrophobicContact CD1-CE2 3.82Å; L1050-F1059 HydrophobicContact CD1-CZ 4.07Å; I1051-F1059 HydrophobicContact CG1-CE1 3.82Å; I1051-F1059 HydrophobicContact CG1-CZ 4.44Å; L1054-F1059 HydrophobicContact CD1-CB 3.97Å; L1054-F1059 HydrophobicContact CD1-CD1 3.92Å; L1054-F1059 HydrophobicContact CD1-CD2 4.34Å; L1054-F1059 HydrophobicContact CD1-CG 3.82Å; F1059-N1061 PolarHBondContact O-N 2.71Å; F1059-L1062 HydrophobicContact CB-CD1 3.66Å; F1059-L1062 HydrophobicContact CB-CG 3.97Å; F1059-L1062 HydrophobicContact CD2-CD1 4.36Å; F1059-L1062 HydrophobicContact CG-CD1 4.32Å; F1059-L1062 WeakPolarHBondContact O-CB 3.44Å; F1059-L1062 WeakPolarHBondContact O-CG 3.33Å; F1059-L1062 PolarHBondContact O-N 3.47Å; F1059-Y1082 CarbonylContact C-O 3.55Å; F1059-Y1082 WeakPolarHBondContact CD2-O 3.36Å; F1059-L1083 HydrophobicContact CD2-CD2 3.68Å; F1059-L1083 HydrophobicContact CD2-CG 4.13Å; F1059-L1083 HydrophobicContact CE2-CD2 4.05Å; F1059-L1083 HydrophobicContact CE2-CG 4.07Å | ||
| 1060 | S | 88.2 | Confident | 89.5 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -29.3 | 176.5 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | N1058 Y1082 H1085 | N1058-S1060 VanDerWaalsContact OD1-CB 3.29Å; N1058-S1060 WeakPolarHBondContact OD1-CB 3.43Å; N1058-S1060 PolarHBondContact OD1-N 3.24Å; N1058-S1060 PolarHBondContact OD1-OG 3.46Å; S1060-Y1082 WeakPolarHBondContact CA-O 3.41Å; S1060-Y1082 PolarHBondContact N-O 3.18Å; S1060-Y1082 VanDerWaalsContact N-O 3.16Å; S1060-H1085 PolarHBondContact O-CD2 3.13Å; S1060-H1085 PolarHBondContact O-N 3.26Å |
| 1061 | N | 89.5 | Confident | 89.7 | Confident | 123 Ų | 123 | 65 Ų | 65 | 66% | 0.658 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.4 | -177.3 | -62.4 | -14 | 0 | 0 | 0 | 113.8 | F1059 V1063 | F1059-N1061 PolarHBondContact O-N 2.71Å; N1061-V1063 PolarHBondContact O-N 2.8Å |
| 1062 | L | 91.7 | Very high | 90.1 | Very high | 43 Ų | 43 | 64.5 Ų | 64.5 | 23% | 0.225 | 34% | 0.338 | C | S | . | . | trans | -63.6 | 125.4 | 175 | -77.6 | 178.2 | 0 | 0 | 0 | 110.3 | L1054 F1059 L1065 L1083 H1085 L1086 | L1054-L1062 HydrophobicContact CD1-CD1 3.64Å; L1054-L1062 HydrophobicContact CD2-CD1 4.5Å; F1059-L1062 HydrophobicContact CB-CD1 3.66Å; F1059-L1062 HydrophobicContact CB-CG 3.97Å; F1059-L1062 HydrophobicContact CD2-CD1 4.36Å; F1059-L1062 HydrophobicContact CG-CD1 4.32Å; F1059-L1062 WeakPolarHBondContact O-CB 3.44Å; F1059-L1062 WeakPolarHBondContact O-CG 3.33Å; F1059-L1062 PolarHBondContact O-N 3.47Å; L1062-L1065 HydrophobicContact CD1-CD1 4.42Å; L1062-L1083 HydrophobicContact CB-CD2 4.3Å; L1062-L1083 HydrophobicContact CD1-CD2 4.17Å; L1062-H1085 CarbonylContact O-C 3.07Å; L1062-L1086 VanDerWaalsContact O-CA 3.29Å; L1062-L1086 WeakPolarHBondContact O-CA 3.19Å; L1062-L1086 PolarHBondContact O-N 3.31Å; L1062-L1086 VanDerWaalsContact O-N 3.1Å | ||
| 1063 | V | 95.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 67.6 Ų | 67.6 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -98.4 | -33.8 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | N1061 K1087 S1088 | N1061-V1063 PolarHBondContact O-N 2.8Å; V1063-K1087 HydrophobicContact CG1-CB 4.11Å; V1063-K1087 HydrophobicContact CG1-CD 3.94Å; V1063-K1087 HydrophobicContact CG1-CG 4.17Å; V1063-K1087 PolarHBondContact O-N 2.93Å; V1063-S1088 PolarHBondContact O-N 3.42Å; V1063-S1088 VanDerWaalsContact O-N 3.13Å |
| 1064 | E | 95.9 | Very high | 90.4 | Very high | 144 Ų | 144 | 64.6 Ų | 64.6 | 67% | 0.673 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.5 | -179.2 | -54.6 | -172.8 | 168.1 | 0 | 0 | 109.3 | S1088 | E1064-S1088 WeakPolarHBondContact CA-O 3.47Å |
| 1065 | L | 95 | Very high | 90.6 | Very high | 11 Ų | 11 | 63.3 Ų | 63.3 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 120.6 | 179.6 | 178.5 | 61.2 | 0 | 0 | 0 | 109.9 | L1050 L1054 L1062 L1067 L1086 S1088 I1089 N1090 | L1050-L1065 HydrophobicContact CD2-CD2 3.98Å; L1054-L1065 HydrophobicContact CD2-CD1 4.31Å; L1062-L1065 HydrophobicContact CD1-CD1 4.42Å; L1065-L1067 HydrophobicContact CD1-CD1 4.5Å; L1065-L1067 HydrophobicContact CD1-CD2 4.46Å; L1065-L1067 HydrophobicContact CD1-CG 4.19Å; L1065-L1067 HydrophobicContact CD2-CD1 3.81Å; L1065-L1067 HydrophobicContact CD2-CG 4.33Å; L1065-L1067 HydrophobicContact CG-CD1 4.02Å; L1065-L1067 HydrophobicContact CG-CG 3.98Å; L1065-L1086 HydrophobicContact CB-CD1 3.65Å; L1065-S1088 PolarHBondContact N-O 2.85Å; L1065-I1089 HydrophobicContact CB-CG1 4.3Å; L1065-I1089 HydrophobicContact CD2-CD1 4.19Å; L1065-I1089 HydrophobicContact CD2-CG1 4.49Å; L1065-I1089 HydrophobicContact CG-CG1 4.49Å; L1065-I1089 WeakPolarHBondContact O-CA 3.45Å; L1065-N1090 PolarHBondContact O-N 3.45Å |
| 1066 | N | 95.8 | Very high | 90.7 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 115.1 | 176.3 | -170.9 | -2.3 | 0 | 0 | 0 | 110.8 | Y1053 S1068 N1090 | Y1053-N1066 PolarHBondContact OH-O 3.13Å; N1066-S1068 WeakPolarHBondContact OD1-CB 3.37Å; N1066-S1068 PolarHBondContact OD1-N 3.4Å; N1066-S1068 PolarHBondContact OD1-OG 3.06Å; N1066-S1068 VanDerWaalsContact OD1-OG 3.14Å; N1066-N1090 HydrophobicContact CB-CB 4.47Å |
| 1067 | L | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -127.1 | 33.4 | 177.6 | -66.8 | 173.1 | 0 | 0 | 0 | 110.3 | L1045 Y1049 L1050 Y1053 L1065 C1070 L1072 N1090 L1091 N1094 | L1045-L1067 HydrophobicContact CD1-CD1 3.72Å; L1045-L1067 HydrophobicContact CD2-CD1 3.74Å; L1045-L1067 HydrophobicContact CG-CD1 4.41Å; Y1049-L1067 HydrophobicContact CE1-CD2 4.15Å; L1050-L1067 HydrophobicContact CD2-CD1 4.16Å; Y1053-L1067 HydrophobicContact CD1-CD2 3.78Å; Y1053-L1067 HydrophobicContact CE1-CD2 3.59Å; Y1053-L1067 HydrophobicContact CE2-CD2 4.44Å; Y1053-L1067 HydrophobicContact CG-CD2 4.28Å; L1065-L1067 HydrophobicContact CD1-CD1 4.5Å; L1065-L1067 HydrophobicContact CD1-CD2 4.46Å; L1065-L1067 HydrophobicContact CD1-CG 4.19Å; L1065-L1067 HydrophobicContact CD2-CD1 3.81Å; L1065-L1067 HydrophobicContact CD2-CG 4.33Å; L1065-L1067 HydrophobicContact CG-CD1 4.02Å; L1065-L1067 HydrophobicContact CG-CG 3.98Å; L1067-C1070 VanDerWaalsContact C-SG 3.56Å; L1067-C1070 WeakPolarHBondContact O-CB 3.35Å; L1067-C1070 PolarHBondContact O-SG 3.25Å; L1067-L1072 HydrophobicContact CB-CD1 4.13Å; L1067-L1072 HydrophobicContact CD1-CD1 4.35Å; L1067-N1090 CarbonylContact C-O 3.29Å; L1067-N1090 WeakPolarHBondContact CA-O 3.33Å; L1067-N1090 PolarHBondContact N-O 3.45Å; L1067-L1091 HydrophobicContact CB-CD2 3.78Å; L1067-L1091 HydrophobicContact CD1-CD2 4.16Å; L1067-N1094 PolarHBondContact O-ND2 3.27Å | ||
| 1068 | S | 95.9 | Very high | 91.4 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 139.9 | 176 | 67.2 | 0 | 0 | 0 | 0 | 111 | N1066 C1070 E1092 | N1066-S1068 WeakPolarHBondContact OD1-CB 3.37Å; N1066-S1068 PolarHBondContact OD1-N 3.4Å; N1066-S1068 PolarHBondContact OD1-OG 3.06Å; N1066-S1068 VanDerWaalsContact OD1-OG 3.14Å; S1068-C1070 VanDerWaalsContact C-N 3.28Å; S1068-C1070 PolarHBondContact O-N 3.34Å; S1068-E1092 CarbonylContact C-O 3.38Å; S1068-E1092 WeakPolarHBondContact CA-O 3.49Å |
| 1069 | N | 95.7 | Very high | 91.6 | Very high | 103 Ų | 103 | 54.5 Ų | 54.5 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 37.2 | 176.1 | -165 | 36.1 | 0 | 0 | 0 | 114.1 | E1092 K1093 | N1069-E1092 PolarHBondContact N-O 3.28Å; N1069-K1093 WeakPolarHBondContact CA-O 3.49Å; N1069-K1093 HydrophobicContact CB-CB 4.15Å |
| 1070 | C | 94.7 | Very high | 91.5 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -95.2 | 9.4 | 179.3 | -74.4 | 0 | 0 | 0 | 0 | 113.2 | L1067 S1068 L1072 N1094 | L1067-C1070 VanDerWaalsContact C-SG 3.56Å; L1067-C1070 WeakPolarHBondContact O-CB 3.35Å; L1067-C1070 PolarHBondContact O-SG 3.25Å; S1068-C1070 VanDerWaalsContact C-N 3.28Å; S1068-C1070 PolarHBondContact O-N 3.34Å; C1070-L1072 HydrophobicContact CB-CD1 4.02Å; C1070-L1072 HydrophobicContact CB-CD2 4.39Å; C1070-L1072 HydrophobicContact CB-CG 3.76Å; C1070-L1072 PolarHBondContact O-N 3.39Å; C1070-N1094 WeakPolarHBondContact CA-OD1 3.48Å; C1070-N1094 PolarHBondContact N-OD1 3.26Å |
| 1071 | M | 94.6 | Very high | 91.3 | Very high | 101 Ų | 101 | 59.9 Ų | 59.9 | 50% | 0.498 | 31% | 0.313 | S | S | . | . | trans | 56 | 27.3 | -176.1 | -52.3 | -65.2 | -153.7 | 0 | 0 | 113.5 | N1094 Y1095 | M1071-N1094 PolarHBondContact N-OD1 3.29Å; M1071-Y1095 HydrophobicContact CB-CD2 4.48Å; M1071-Y1095 HydrophobicContact CB-CE2 4.13Å; M1071-Y1095 HydrophobicContact CG-CE2 4.41Å; M1071-Y1095 HydrophobicContact SD-CE2 3.41Å; M1071-Y1095 WeakPolarHBondContact SD-CE2 3.47Å; M1071-Y1095 PolarHBondContact SD-OH 2.88Å | ||
| 1072 | L | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -70.9 | 133.5 | -178.3 | -61 | 173.1 | 0 | 0 | 0 | 110.4 | G1043 L1045 Y1049 L1067 C1070 L1091 N1094 Y1095 L1096 | G1043-L1072 CarbonylContact O-C 3.5Å; G1043-L1072 WeakPolarHBondContact O-CA 3.47Å; L1045-L1072 HydrophobicContact CB-CD1 4.27Å; L1045-L1072 HydrophobicContact CB-CD2 4.12Å; L1045-L1072 HydrophobicContact CD2-CD1 4.34Å; Y1049-L1072 HydrophobicContact CE1-CD2 4.42Å; Y1049-L1072 HydrophobicContact CE2-CD2 4.3Å; L1067-L1072 HydrophobicContact CB-CD1 4.13Å; L1067-L1072 HydrophobicContact CD1-CD1 4.35Å; C1070-L1072 HydrophobicContact CB-CD1 4.02Å; C1070-L1072 HydrophobicContact CB-CD2 4.39Å; C1070-L1072 HydrophobicContact CB-CG 3.76Å; C1070-L1072 PolarHBondContact O-N 3.39Å; L1072-L1091 HydrophobicContact CD1-CD2 3.67Å; L1072-N1094 HydrophobicContact CB-CB 4.14Å; L1072-N1094 WeakPolarHBondContact CB-OD1 3.28Å; L1072-N1094 PolarHBondContact N-OD1 3.16Å; L1072-N1094 WeakPolarHBondContact O-CB 3.48Å; L1072-Y1095 CarbonylContact O-C 3.58Å; L1072-Y1095 WeakPolarHBondContact O-CA 3.35Å; L1072-Y1095 PolarHBondContact O-N 3.14Å; L1072-L1096 HydrophobicContact CB-CD2 4.17Å; L1072-L1096 PolarHBondContact O-N 2.79Å | ||
| 1073 | K | 93.4 | Very high | 91 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | trans | -111.3 | -29.8 | 179.8 | -63.2 | 173.9 | -178 | 174.9 | 0 | 111.4 | G1043 Y1095 | G1043-K1073 PolarHBondContact O-N 3.41Å; K1073-Y1095 HydrophobicContact CG-CD2 4.5Å | ||
| 1074 | T | 91.2 | Very high | 90.7 | Very high | 50 Ų | 50 | 57.1 Ų | 57.1 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 150.8 | -171.7 | 48.8 | 0 | 0 | 0 | 0 | 110 | G1043 H1044 L1045 | G1043-T1074 PolarHBondContact O-N 3.03Å; H1044-T1074 PolarHBondContact CD2-OG1 3.49Å; H1044-T1074 PolarHBondContact CE1-OG1 3.2Å; H1044-T1074 PolarHBondContact ND1-OG1 2.99Å; H1044-T1074 PolarHBondContact NE2-OG1 3.47Å; H1044-T1074 VanDerWaalsContact NE2-OG1 3.13Å; L1045-T1074 PolarHBondContact N-O 3.03Å |
| 1075 | I | 91.4 | Very high | 90.5 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.087 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 112.4 | 173.8 | -57.2 | 172.3 | 0 | 0 | 0 | 106.5 | L1045 L1091 L1096 L1102 | L1045-I1075 HydrophobicContact CB-CG1 4.31Å; L1045-I1075 HydrophobicContact CB-CG2 4.42Å; L1045-I1075 HydrophobicContact CD2-CG1 4.28Å; L1045-I1075 HydrophobicContact CD2-CG2 4.17Å; L1045-I1075 HydrophobicContact CG-CG2 4.5Å; I1075-L1091 HydrophobicContact CD1-CD1 3.8Å; I1075-L1096 HydrophobicContact CD1-CD1 3.87Å; I1075-L1096 HydrophobicContact CD1-CD2 4.15Å; I1075-L1096 HydrophobicContact CG1-CD1 4.38Å; I1075-L1096 HydrophobicContact CG1-CD2 3.78Å; I1075-L1102 HydrophobicContact CD1-CD1 4.04Å; I1075-L1102 HydrophobicContact CD1-CD2 3.97Å; I1075-L1102 HydrophobicContact CD1-CG 3.76Å; I1075-L1102 HydrophobicContact CG2-CD2 4.01Å; I1075-L1102 HydrophobicContact CG2-CG 4.41Å |
| 1076 | D | 85.6 | Confident | 90.5 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | trans | -84.7 | 175 | 179.6 | -66.1 | -22.6 | 0 | 0 | 0 | 110.3 | H1044 L1045 T1046 I1078 | H1044-D1076 IonicContact CE1-OD1 2.72Å; H1044-D1076 IonicContact CG-OD2 3.02Å; H1044-D1076 IonicContact ND1-OD1 3.5Å; H1044-D1076 PolarHBondContact ND1-OD1 3.18Å; H1044-D1076 IonicContact ND1-OD2 2.95Å; H1044-D1076 PolarHBondContact ND1-OD2 2.97Å; L1045-D1076 PolarHBondContact O-N 3.32Å; T1046-D1076 HydrophobicContact CG2-CB 4.21Å; T1046-D1076 WeakPolarHBondContact CG2-OD2 3.1Å; D1076-I1078 PolarHBondContact O-N 3.06Å | ||
| 1077 | Y | 83.1 | Confident | 90.5 | Very high | 74 Ų | 74 | 54.9 Ų | 54.9 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | trans | -65.6 | 123.5 | 174.9 | 178.9 | -96.6 | 0 | 0 | 0 | 110.8 | D1079 F1104 I1146 | Y1077-D1079 HydrophobicContact CE1-CB 4.27Å; Y1077-F1104 AromaticContact CD2-CD2 3.64Å; Y1077-F1104 HydrophobicContact CD2-CD2 3.64Å; Y1077-F1104 AromaticContact CD2-CE2 3.41Å; Y1077-F1104 HydrophobicContact CD2-CE2 3.41Å; Y1077-F1104 VanDerWaalsContact CD2-CE2 3.41Å; Y1077-F1104 HydrophobicContact CD2-CG 4.29Å; Y1077-F1104 AromaticContact CD2-CZ 3.89Å; Y1077-F1104 HydrophobicContact CD2-CZ 3.89Å; Y1077-F1104 HydrophobicContact CE2-CD1 4.11Å; Y1077-F1104 AromaticContact CE2-CD2 3.76Å; Y1077-F1104 HydrophobicContact CE2-CD2 3.76Å; Y1077-F1104 HydrophobicContact CE2-CE1 4.13Å; Y1077-F1104 AromaticContact CE2-CE2 3.78Å; Y1077-F1104 HydrophobicContact CE2-CE2 3.78Å; Y1077-F1104 AromaticContact CE2-CG 3.93Å; Y1077-F1104 HydrophobicContact CE2-CG 3.93Å; Y1077-F1104 AromaticContact CE2-CZ 3.97Å; Y1077-F1104 HydrophobicContact CE2-CZ 3.97Å; Y1077-I1146 VanDerWaalsContact CB-CG2 3.47Å; Y1077-I1146 HydrophobicContact CD1-CD1 3.6Å; Y1077-I1146 HydrophobicContact CD1-CG1 4.08Å; Y1077-I1146 HydrophobicContact CD1-CG2 4.35Å; Y1077-I1146 HydrophobicContact CD2-CG2 3.88Å; Y1077-I1146 HydrophobicContact CE1-CD1 4.15Å; Y1077-I1146 HydrophobicContact CE1-CG1 4.39Å; Y1077-I1146 HydrophobicContact CG-CD1 4.01Å; Y1077-I1146 HydrophobicContact CG-CG1 4.2Å; Y1077-I1146 HydrophobicContact CG-CG2 3.64Å | ||
| 1078 | I | 85 | Confident | 90.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -119.4 | 126.7 | 170.4 | -62.4 | 173.3 | 0 | 0 | 0 | 106.4 | L1045 L1050 D1076 P1080 L1083 F1105 | L1045-I1078 HydrophobicContact CD1-CD1 4.44Å; L1045-I1078 HydrophobicContact CG-CD1 3.98Å; L1050-I1078 HydrophobicContact CD1-CD1 3.86Å; D1076-I1078 PolarHBondContact O-N 3.06Å; I1078-P1080 WeakPolarHBondContact O-CD 3.38Å; I1078-L1083 HydrophobicContact CG2-CD1 4.2Å; I1078-F1105 HydrophobicContact CB-CE1 4.47Å; I1078-F1105 HydrophobicContact CB-CZ 3.85Å; I1078-F1105 HydrophobicContact CG2-CE1 4.32Å; I1078-F1105 HydrophobicContact CG2-CZ 3.98Å | ||
| 1079 | D | 83.4 | Confident | 90.7 | Very high | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | trans | -58.9 | 123.1 | 179.9 | -167.8 | -40.7 | 0 | 0 | 0 | 109.9 | Y1077 I1081 Y1082 | Y1077-D1079 HydrophobicContact CE1-CB 4.27Å; D1079-I1081 HydrophobicContact CB-CG2 4.24Å; D1079-I1081 PolarHBondContact O-N 3.3Å; D1079-I1081 WeakPolarHBondContact OD1-CB 3.28Å; D1079-I1081 WeakPolarHBondContact OD1-CG2 3.28Å; D1079-I1081 PolarHBondContact OD1-N 3.09Å; D1079-Y1082 HydrophobicContact CB-CD2 3.76Å; D1079-Y1082 HydrophobicContact CB-CE2 3.77Å; D1079-Y1082 WeakPolarHBondContact O-CD2 3.36Å; D1079-Y1082 PolarHBondContact O-N 3.46Å; D1079-Y1082 VanDerWaalsContact O-N 3.11Å | ||
| 1080 | P | 84.1 | Confident | 90.8 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -55 | -22.7 | -179.3 | -29.8 | 38.2 | 0 | 0 | 0 | 114.8 | I1078 Y1082 L1083 I1084 F1104 F1105 | I1078-P1080 WeakPolarHBondContact O-CD 3.38Å; P1080-Y1082 PolarHBondContact O-N 3.04Å; P1080-L1083 CarbonylContact O-C 3.21Å; P1080-L1083 PolarHBondContact O-N 3.45Å; P1080-L1083 VanDerWaalsContact O-N 3.07Å; P1080-I1084 WeakPolarHBondContact O-CA 3.45Å; P1080-I1084 PolarHBondContact O-N 3.41Å; P1080-F1104 HydrophobicContact CG-CB 3.4Å; P1080-F1104 VanDerWaalsContact CG-CB 3.4Å; P1080-F1104 HydrophobicContact CG-CG 4.49Å; P1080-F1104 WeakPolarHBondContact CG-O 3.21Å; P1080-F1105 HydrophobicContact CB-CD1 4.44Å |
| 1081 | I | 85.3 | Confident | 90.9 | Very high | 105 Ų | 105 | 49.6 Ų | 49.6 | 54% | 0.538 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -58.6 | -31.1 | 179.3 | -155.1 | 164.5 | 0 | 0 | 0 | 112.1 | D1079 L1083 | D1079-I1081 HydrophobicContact CB-CG2 4.24Å; D1079-I1081 PolarHBondContact O-N 3.3Å; D1079-I1081 WeakPolarHBondContact OD1-CB 3.28Å; D1079-I1081 WeakPolarHBondContact OD1-CG2 3.28Å; D1079-I1081 PolarHBondContact OD1-N 3.09Å; I1081-L1083 VanDerWaalsContact C-N 3.34Å |
| 1082 | Y | 84.9 | Confident | 91 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -79.1 | -15.8 | -179.8 | -60.5 | -66.4 | 0 | 0 | 0 | 113.8 | F1059 S1060 D1079 P1080 | F1059-Y1082 CarbonylContact C-O 3.55Å; F1059-Y1082 WeakPolarHBondContact CD2-O 3.36Å; S1060-Y1082 WeakPolarHBondContact CA-O 3.41Å; S1060-Y1082 PolarHBondContact N-O 3.18Å; S1060-Y1082 VanDerWaalsContact N-O 3.16Å; D1079-Y1082 HydrophobicContact CB-CD2 3.76Å; D1079-Y1082 HydrophobicContact CB-CE2 3.77Å; D1079-Y1082 WeakPolarHBondContact O-CD2 3.36Å; D1079-Y1082 PolarHBondContact O-N 3.46Å; D1079-Y1082 VanDerWaalsContact O-N 3.11Å; P1080-Y1082 PolarHBondContact O-N 3.04Å |
| 1083 | L | 88.6 | Confident | 91.1 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -135.2 | 33.7 | -176.6 | -69.7 | 170.1 | 0 | 0 | 0 | 111.2 | L1050 F1059 L1062 I1078 P1080 I1081 H1085 L1086 F1105 | L1050-L1083 HydrophobicContact CD1-CD1 3.87Å; F1059-L1083 HydrophobicContact CD2-CD2 3.68Å; F1059-L1083 HydrophobicContact CD2-CG 4.13Å; F1059-L1083 HydrophobicContact CE2-CD2 4.05Å; F1059-L1083 HydrophobicContact CE2-CG 4.07Å; L1062-L1083 HydrophobicContact CB-CD2 4.3Å; L1062-L1083 HydrophobicContact CD1-CD2 4.17Å; I1078-L1083 HydrophobicContact CG2-CD1 4.2Å; P1080-L1083 CarbonylContact O-C 3.21Å; P1080-L1083 PolarHBondContact O-N 3.45Å; P1080-L1083 VanDerWaalsContact O-N 3.07Å; I1081-L1083 VanDerWaalsContact C-N 3.34Å; L1083-H1085 PolarHBondContact O-N 2.82Å; L1083-H1085 VanDerWaalsContact O-N 3.16Å; L1083-L1086 HydrophobicContact CB-CB 4.1Å; L1083-L1086 HydrophobicContact CB-CD2 4.35Å; L1083-L1086 HydrophobicContact CD1-CD2 4.25Å; L1083-L1086 HydrophobicContact CD2-CD2 4.39Å; L1083-L1086 VanDerWaalsContact O-CB 3.27Å; L1083-L1086 WeakPolarHBondContact O-CB 3.45Å; L1083-L1086 PolarHBondContact O-N 3.28Å; L1083-F1105 HydrophobicContact CB-CD1 3.91Å; L1083-F1105 HydrophobicContact CB-CE1 3.68Å; L1083-F1105 HydrophobicContact CB-CZ 4.32Å; L1083-F1105 HydrophobicContact CD1-CE1 3.7Å; L1083-F1105 HydrophobicContact CD1-CE2 4.13Å; L1083-F1105 HydrophobicContact CD1-CZ 3.46Å; L1083-F1105 VanDerWaalsContact CD1-CZ 3.46Å; L1083-F1105 HydrophobicContact CG-CE1 4.26Å; L1083-F1105 HydrophobicContact CG-CZ 4.48Å |
| 1084 | I | 89.7 | Confident | 91.2 | Very high | 84 Ų | 84 | 47 Ų | 47 | 43% | 0.431 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.4 | -172.3 | -165.3 | 165.7 | 0 | 0 | 0 | 113.1 | P1080 N1107 | P1080-I1084 WeakPolarHBondContact O-CA 3.45Å; P1080-I1084 PolarHBondContact O-N 3.41Å; I1084-N1107 PolarHBondContact O-ND2 3.11Å |
| 1085 | H | 91.8 | Very high | 91.5 | Very high | 92 Ų | 92 | 49.8 Ų | 49.8 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.8 | -179.9 | -64.7 | -53.9 | 0 | 0 | 0 | 114.3 | S1060 L1062 L1083 K1087 | S1060-H1085 PolarHBondContact O-CD2 3.13Å; S1060-H1085 PolarHBondContact O-N 3.26Å; L1062-H1085 CarbonylContact O-C 3.07Å; L1083-H1085 PolarHBondContact O-N 2.82Å; L1083-H1085 VanDerWaalsContact O-N 3.16Å; H1085-K1087 PolarHBondContact O-N 3.17Å |
| 1086 | L | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -67.1 | 123 | -176.6 | -168.7 | 72 | 0 | 0 | 0 | 110.7 | L1062 L1065 L1083 I1089 N1107 L1108 | L1062-L1086 VanDerWaalsContact O-CA 3.29Å; L1062-L1086 WeakPolarHBondContact O-CA 3.19Å; L1062-L1086 PolarHBondContact O-N 3.31Å; L1062-L1086 VanDerWaalsContact O-N 3.1Å; L1065-L1086 HydrophobicContact CB-CD1 3.65Å; L1083-L1086 HydrophobicContact CB-CB 4.1Å; L1083-L1086 HydrophobicContact CB-CD2 4.35Å; L1083-L1086 HydrophobicContact CD1-CD2 4.25Å; L1083-L1086 HydrophobicContact CD2-CD2 4.39Å; L1083-L1086 VanDerWaalsContact O-CB 3.27Å; L1083-L1086 WeakPolarHBondContact O-CB 3.45Å; L1083-L1086 PolarHBondContact O-N 3.28Å; L1086-I1089 HydrophobicContact CD2-CB 4.45Å; L1086-I1089 HydrophobicContact CD2-CD1 4.46Å; L1086-N1107 CarbonylContact O-C 3.59Å; L1086-L1108 HydrophobicContact CD2-CD2 3.96Å; L1086-L1108 HydrophobicContact CG-CD2 3.93Å; L1086-L1108 PolarHBondContact O-N 2.85Å | ||
| 1087 | K | 96.3 | Very high | 92.2 | Very high | 101 Ų | 101 | 51.4 Ų | 51.4 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | trans | -115.5 | -29.8 | -179.8 | -69.3 | 179.7 | -173.6 | 169.9 | 0 | 112.8 | V1063 H1085 K1109 I1110 | V1063-K1087 HydrophobicContact CG1-CB 4.11Å; V1063-K1087 HydrophobicContact CG1-CD 3.94Å; V1063-K1087 HydrophobicContact CG1-CG 4.17Å; V1063-K1087 PolarHBondContact O-N 2.93Å; H1085-K1087 PolarHBondContact O-N 3.17Å; K1087-K1109 PolarHBondContact O-N 3.03Å; K1087-I1110 PolarHBondContact O-N 2.92Å; K1087-I1110 VanDerWaalsContact O-N 3.08Å | ||
| 1088 | S | 97.7 | Very high | 92.7 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.5 | -179 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | V1063 E1064 L1065 I1110 | V1063-S1088 PolarHBondContact O-N 3.42Å; V1063-S1088 VanDerWaalsContact O-N 3.13Å; E1064-S1088 WeakPolarHBondContact CA-O 3.47Å; L1065-S1088 PolarHBondContact N-O 2.85Å; S1088-I1110 WeakPolarHBondContact CA-O 3.42Å |
| 1089 | I | 97.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.1 | 172 | -166.2 | 173.7 | 0 | 0 | 0 | 110.2 | L1065 L1086 L1091 L1102 L1108 I1110 I1111 C1112 | L1065-I1089 HydrophobicContact CB-CG1 4.3Å; L1065-I1089 HydrophobicContact CD2-CD1 4.19Å; L1065-I1089 HydrophobicContact CD2-CG1 4.49Å; L1065-I1089 HydrophobicContact CG-CG1 4.49Å; L1065-I1089 WeakPolarHBondContact O-CA 3.45Å; L1086-I1089 HydrophobicContact CD2-CB 4.45Å; L1086-I1089 HydrophobicContact CD2-CD1 4.46Å; I1089-L1091 HydrophobicContact CD1-CD1 3.9Å; I1089-L1091 HydrophobicContact CD1-CD2 4.43Å; I1089-L1091 HydrophobicContact CD1-CG 4.12Å; I1089-L1091 HydrophobicContact CG1-CD1 4.22Å; I1089-L1091 HydrophobicContact CG1-CG 4.06Å; I1089-L1091 HydrophobicContact CG2-CD1 4.5Å; I1089-L1102 HydrophobicContact CD1-CD2 3.83Å; I1089-L1102 HydrophobicContact CG2-CD1 4.09Å; I1089-L1108 HydrophobicContact CB-CD2 4.28Å; I1089-L1108 HydrophobicContact CG2-CD1 4.38Å; I1089-L1108 HydrophobicContact CG2-CD2 4Å; I1089-I1110 PolarHBondContact N-O 3.23Å; I1089-I1110 VanDerWaalsContact N-O 3.1Å; I1089-I1111 HydrophobicContact CG2-CB 4.48Å; I1089-I1111 HydrophobicContact CG2-CG1 3.94Å; I1089-C1112 PolarHBondContact O-N 2.74Å |
| 1090 | N | 97.5 | Very high | 93.4 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118 | 172.4 | -174.7 | -16.1 | 0 | 0 | 0 | 109.4 | L1065 N1066 L1067 E1092 C1112 | L1065-N1090 PolarHBondContact O-N 3.45Å; N1066-N1090 HydrophobicContact CB-CB 4.47Å; L1067-N1090 CarbonylContact C-O 3.29Å; L1067-N1090 WeakPolarHBondContact CA-O 3.33Å; L1067-N1090 PolarHBondContact N-O 3.45Å; N1090-E1092 PolarHBondContact ND2-OE2 2.91Å; N1090-E1092 VanDerWaalsContact OD1-CB 3.28Å; N1090-E1092 WeakPolarHBondContact OD1-CB 3.48Å; N1090-E1092 WeakPolarHBondContact OD1-CG 3.26Å; N1090-E1092 PolarHBondContact OD1-N 2.85Å; N1090-C1112 HydrophobicContact CB-CB 4.4Å |
| 1091 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -125.2 | 24.8 | 177.6 | -70.9 | 163.6 | 0 | 0 | 0 | 111.4 | L1045 L1067 L1072 I1075 I1089 N1094 L1096 L1102 C1112 L1113 N1116 | L1045-L1091 HydrophobicContact CD2-CD2 4.37Å; L1067-L1091 HydrophobicContact CB-CD2 3.78Å; L1067-L1091 HydrophobicContact CD1-CD2 4.16Å; L1072-L1091 HydrophobicContact CD1-CD2 3.67Å; I1075-L1091 HydrophobicContact CD1-CD1 3.8Å; I1089-L1091 HydrophobicContact CD1-CD1 3.9Å; I1089-L1091 HydrophobicContact CD1-CD2 4.43Å; I1089-L1091 HydrophobicContact CD1-CG 4.12Å; I1089-L1091 HydrophobicContact CG1-CD1 4.22Å; I1089-L1091 HydrophobicContact CG1-CG 4.06Å; I1089-L1091 HydrophobicContact CG2-CD1 4.5Å; L1091-N1094 VanDerWaalsContact C-ND2 3.29Å; L1091-N1094 PolarHBondContact O-ND2 3.29Å; L1091-L1096 HydrophobicContact CB-CD1 3.99Å; L1091-L1096 HydrophobicContact CD1-CD1 4Å; L1091-L1096 HydrophobicContact CD2-CD1 4.42Å; L1091-L1096 HydrophobicContact CG-CD1 4.37Å; L1091-L1102 HydrophobicContact CD1-CD1 3.67Å; L1091-L1102 HydrophobicContact CD1-CD2 4.46Å; L1091-C1112 CarbonylContact C-O 3.57Å; L1091-C1112 WeakPolarHBondContact CA-O 3.46Å; L1091-C1112 PolarHBondContact N-O 3.31Å; L1091-L1113 HydrophobicContact CB-CD2 3.83Å; L1091-L1113 HydrophobicContact CD1-CD2 4.12Å; L1091-N1116 PolarHBondContact O-ND2 3.39Å | ||
| 1092 | E | 97.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 23% | 0.234 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 152.5 | 179.6 | -67 | 177 | 150.9 | 0 | 0 | 112.2 | S1068 N1069 N1090 N1094 C1112 N1114 | S1068-E1092 CarbonylContact C-O 3.38Å; S1068-E1092 WeakPolarHBondContact CA-O 3.49Å; N1069-E1092 PolarHBondContact N-O 3.28Å; N1090-E1092 PolarHBondContact ND2-OE2 2.91Å; N1090-E1092 VanDerWaalsContact OD1-CB 3.28Å; N1090-E1092 WeakPolarHBondContact OD1-CB 3.48Å; N1090-E1092 WeakPolarHBondContact OD1-CG 3.26Å; N1090-E1092 PolarHBondContact OD1-N 2.85Å; E1092-N1094 VanDerWaalsContact C-N 3.27Å; E1092-N1094 PolarHBondContact O-N 2.84Å; E1092-N1094 PolarHBondContact O-ND2 2.8Å; E1092-C1112 HydrophobicContact CG-CB 3.82Å; E1092-C1112 PolarHBondContact N-O 3.47Å; E1092-N1114 VanDerWaalsContact CA-O 3.26Å; E1092-N1114 WeakPolarHBondContact CA-O 3.48Å; E1092-N1114 HydrophobicContact CG-CB 3.93Å; E1092-N1114 PolarHBondContact OE1-ND2 3.4Å |
| 1093 | K | 96.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 35.4 Ų | 35.4 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 36.8 | 175.8 | -59.2 | 178.3 | 177 | 179.3 | 0 | 113.5 | N1069 N1114 E1115 | N1069-K1093 WeakPolarHBondContact CA-O 3.49Å; N1069-K1093 HydrophobicContact CB-CB 4.15Å; K1093-N1114 PolarHBondContact N-O 3.04Å; K1093-E1115 VanDerWaalsContact CA-O 3.29Å; K1093-E1115 WeakPolarHBondContact CA-O 3.38Å; K1093-E1115 VanDerWaalsContact CE-CD 3.44Å; K1093-E1115 WeakPolarHBondContact CE-OE1 3.4Å; K1093-E1115 VanDerWaalsContact CE-OE2 3.25Å; K1093-E1115 WeakPolarHBondContact CE-OE2 3.43Å; K1093-E1115 HydrophobicContact CG-CB 3.97Å; K1093-E1115 HydrophobicContact CG-CG 4.49Å; K1093-E1115 PolarHBondContact N-O 3.47Å; K1093-E1115 IonicContact NZ-OE1 2.8Å |
| 1094 | N | 97.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -109.2 | -170.4 | 171.1 | -75.2 | -70.1 | 0 | 0 | 0 | 109.2 | L1067 C1070 M1071 L1072 L1091 E1092 L1096 N1116 | L1067-N1094 PolarHBondContact O-ND2 3.27Å; C1070-N1094 WeakPolarHBondContact CA-OD1 3.48Å; C1070-N1094 PolarHBondContact N-OD1 3.26Å; M1071-N1094 PolarHBondContact N-OD1 3.29Å; L1072-N1094 HydrophobicContact CB-CB 4.14Å; L1072-N1094 WeakPolarHBondContact CB-OD1 3.28Å; L1072-N1094 PolarHBondContact N-OD1 3.16Å; L1072-N1094 WeakPolarHBondContact O-CB 3.48Å; L1091-N1094 VanDerWaalsContact C-ND2 3.29Å; L1091-N1094 PolarHBondContact O-ND2 3.29Å; E1092-N1094 VanDerWaalsContact C-N 3.27Å; E1092-N1094 PolarHBondContact O-N 2.84Å; E1092-N1094 PolarHBondContact O-ND2 2.8Å; N1094-L1096 HydrophobicContact CB-CG 4.22Å; N1094-N1116 WeakPolarHBondContact CA-OD1 3.46Å; N1094-N1116 WeakPolarHBondContact CB-OD1 3.09Å; N1094-N1116 WeakPolarHBondContact O-CA 2.95Å; N1094-N1116 PolarHBondContact O-OD1 3.33Å |
| 1095 | Y | 95.9 | Very high | 93.5 | Very high | 109 Ų | 109 | 33.3 Ų | 33.3 | 43% | 0.427 | 16% | 0.155 | S | C | . | . | trans | -116.3 | 26.6 | 179.9 | -55.2 | -67.9 | 0 | 0 | 0 | 112.1 | M1071 L1072 K1073 K1097 N1116 | M1071-Y1095 HydrophobicContact CB-CD2 4.48Å; M1071-Y1095 HydrophobicContact CB-CE2 4.13Å; M1071-Y1095 HydrophobicContact CG-CE2 4.41Å; M1071-Y1095 HydrophobicContact SD-CE2 3.41Å; M1071-Y1095 WeakPolarHBondContact SD-CE2 3.47Å; M1071-Y1095 PolarHBondContact SD-OH 2.88Å; L1072-Y1095 CarbonylContact O-C 3.58Å; L1072-Y1095 WeakPolarHBondContact O-CA 3.35Å; L1072-Y1095 PolarHBondContact O-N 3.14Å; K1073-Y1095 HydrophobicContact CG-CD2 4.5Å; Y1095-K1097 PolarHBondContact O-N 3.43Å; Y1095-N1116 PolarHBondContact N-OD1 2.82Å | ||
| 1096 | L | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -64.8 | 133.5 | -177.5 | -61.9 | 173 | 0 | 0 | 0 | 109.8 | L1072 I1075 L1091 N1094 L1113 N1116 N1117 I1118 | L1072-L1096 HydrophobicContact CB-CD2 4.17Å; L1072-L1096 PolarHBondContact O-N 2.79Å; I1075-L1096 HydrophobicContact CD1-CD1 3.87Å; I1075-L1096 HydrophobicContact CD1-CD2 4.15Å; I1075-L1096 HydrophobicContact CG1-CD1 4.38Å; I1075-L1096 HydrophobicContact CG1-CD2 3.78Å; L1091-L1096 HydrophobicContact CB-CD1 3.99Å; L1091-L1096 HydrophobicContact CD1-CD1 4Å; L1091-L1096 HydrophobicContact CD2-CD1 4.42Å; L1091-L1096 HydrophobicContact CG-CD1 4.37Å; N1094-L1096 HydrophobicContact CB-CG 4.22Å; L1096-L1113 HydrophobicContact CD1-CD2 3.74Å; L1096-N1116 VanDerWaalsContact CB-OD1 3.31Å; L1096-N1116 WeakPolarHBondContact CB-OD1 3.41Å; L1096-N1116 WeakPolarHBondContact CG-OD1 3.35Å; L1096-N1116 PolarHBondContact N-OD1 3.43Å; L1096-N1117 CarbonylContact O-C 3.36Å; L1096-N1117 WeakPolarHBondContact O-CA 3.42Å; L1096-N1117 PolarHBondContact O-N 2.94Å; L1096-I1118 HydrophobicContact CB-CD1 3.77Å; L1096-I1118 WeakPolarHBondContact O-CD1 3.32Å; L1096-I1118 PolarHBondContact O-N 3.2Å | ||
| 1097 | K | 95 | Very high | 93 | Very high | 107 Ų | 107 | 39.4 Ų | 39.4 | 47% | 0.465 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -96.3 | -19.5 | 171.9 | -67.7 | -169.9 | 167.1 | -127.2 | 0 | 114 | Y1095 N1117 E1119 S1120 | Y1095-K1097 PolarHBondContact O-N 3.43Å; K1097-N1117 VanDerWaalsContact CA-O 3.3Å; K1097-N1117 WeakPolarHBondContact CA-O 3.42Å; K1097-N1117 HydrophobicContact CG-CB 4.2Å; K1097-E1119 IonicContact NZ-OE1 3.48Å; K1097-E1119 PolarHBondContact NZ-OE1 3.04Å; K1097-E1119 PolarHBondContact O-N 3.49Å; K1097-S1120 PolarHBondContact O-N 2.75Å |
| 1098 | S | 93.9 | Very high | 93 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 12% | 0.119 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -151.6 | 161 | 176.7 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | S1120 S1123 | S1098-S1120 WeakPolarHBondContact CA-O 3.35Å; S1098-S1120 WeakPolarHBondContact CB-O 3.42Å; S1098-S1123 WeakPolarHBondContact OG-CA 3.43Å; S1098-S1123 PolarHBondContact OG-N 3.38Å |
| 1099 | F | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -122.8 | 15 | -176.8 | 60.2 | -81.8 | 0 | 0 | 0 | 112.4 | G1101 L1102 L1113 I1118 L1121 Y1161 L1167 L1180 | F1099-G1101 PolarHBondContact O-N 3.25Å; F1099-L1102 PolarHBondContact O-N 2.77Å; F1099-L1113 HydrophobicContact CB-CD1 3.57Å; F1099-L1113 HydrophobicContact CB-CD2 4.4Å; F1099-L1113 HydrophobicContact CD1-CD1 3.83Å; F1099-L1113 HydrophobicContact CD2-CD1 4.21Å; F1099-L1113 HydrophobicContact CG-CD1 3.61Å; F1099-I1118 HydrophobicContact CD1-CD1 4.25Å; F1099-I1118 HydrophobicContact CD1-CG2 3.81Å; F1099-I1118 HydrophobicContact CE1-CG2 3.91Å; F1099-L1121 HydrophobicContact CD2-CD1 3.86Å; F1099-L1121 HydrophobicContact CE1-CD1 4.15Å; F1099-L1121 HydrophobicContact CE2-CD1 3.3Å; F1099-L1121 HydrophobicContact CG-CD1 4.49Å; F1099-L1121 HydrophobicContact CZ-CD1 3.47Å; F1099-L1121 VanDerWaalsContact CZ-CD1 3.47Å; F1099-L1121 PolarHBondContact N-O 3.38Å; F1099-Y1161 AromaticContact CD2-CE2 3.87Å; F1099-Y1161 HydrophobicContact CD2-CE2 3.87Å; F1099-Y1161 HydrophobicContact CE2-CD2 4.45Å; F1099-Y1161 AromaticContact CE2-CE2 3.71Å; F1099-Y1161 HydrophobicContact CE2-CE2 3.71Å; F1099-Y1161 PolarHBondContact O-OH 3.48Å; F1099-L1167 HydrophobicContact CZ-CD2 4.49Å; F1099-L1180 HydrophobicContact CE1-CD2 4.18Å | ||
| 1100 | G | 89.2 | Confident | 93 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.8 | -19.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1102 L1103 L1121 F1150 | G1100-L1102 PolarHBondContact O-N 3.36Å; G1100-L1102 VanDerWaalsContact O-N 3.15Å; G1100-L1103 WeakPolarHBondContact O-CB 3.23Å; G1100-L1103 WeakPolarHBondContact O-CD1 3.38Å; G1100-L1103 WeakPolarHBondContact O-CG 3.35Å; G1100-L1103 PolarHBondContact O-N 3.27Å; G1100-L1121 WeakPolarHBondContact CA-O 3.45Å; G1100-L1121 PolarHBondContact N-O 2.73Å; G1100-F1150 WeakPolarHBondContact O-CE1 3.36Å |
| 1101 | G | 86.2 | Confident | 93 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -61.2 | -22.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1099 | F1099-G1101 PolarHBondContact O-N 3.25Š|
| 1102 | L | 90.3 | Very high | 93 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -87.2 | -2.4 | -178 | -55.9 | 171.3 | 0 | 0 | 0 | 113.9 | I1075 I1089 L1091 F1099 G1100 F1104 F1105 L1108 I1111 Y1161 | I1075-L1102 HydrophobicContact CD1-CD1 4.04Å; I1075-L1102 HydrophobicContact CD1-CD2 3.97Å; I1075-L1102 HydrophobicContact CD1-CG 3.76Å; I1075-L1102 HydrophobicContact CG2-CD2 4.01Å; I1075-L1102 HydrophobicContact CG2-CG 4.41Å; I1089-L1102 HydrophobicContact CD1-CD2 3.83Å; I1089-L1102 HydrophobicContact CG2-CD1 4.09Å; L1091-L1102 HydrophobicContact CD1-CD1 3.67Å; L1091-L1102 HydrophobicContact CD1-CD2 4.46Å; F1099-L1102 PolarHBondContact O-N 2.77Å; G1100-L1102 PolarHBondContact O-N 3.36Å; G1100-L1102 VanDerWaalsContact O-N 3.15Å; L1102-F1104 PolarHBondContact O-N 3.27Å; L1102-F1105 HydrophobicContact CB-CD2 4.17Å; L1102-F1105 HydrophobicContact CD2-CD2 3.99Å; L1102-F1105 HydrophobicContact CD2-CE2 3.79Å; L1102-F1105 WeakPolarHBondContact O-CD2 3.33Å; L1102-F1105 PolarHBondContact O-N 3.41Å; L1102-F1105 VanDerWaalsContact O-N 3.07Å; L1102-L1108 HydrophobicContact CB-CD1 4.06Å; L1102-I1111 HydrophobicContact CD1-CD1 4.34Å; L1102-Y1161 HydrophobicContact CB-CE1 4.46Å; L1102-Y1161 WeakPolarHBondContact CB-OH 3.23Å |
| 1103 | L | 86.7 | Confident | 93 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.1 | -170.7 | -69.3 | 167.2 | 0 | 0 | 0 | 113.7 | G1100 F1105 L1121 F1122 I1160 Y1161 | G1100-L1103 WeakPolarHBondContact O-CB 3.23Å; G1100-L1103 WeakPolarHBondContact O-CD1 3.38Å; G1100-L1103 WeakPolarHBondContact O-CG 3.35Å; G1100-L1103 PolarHBondContact O-N 3.27Å; L1103-F1105 VanDerWaalsContact C-N 3.31Å; L1103-L1121 HydrophobicContact CD2-CD1 4.13Å; L1103-F1122 HydrophobicContact CD1-CD1 4.14Å; L1103-F1122 HydrophobicContact CD1-CE1 3.36Å; L1103-F1122 HydrophobicContact CD1-CE2 4.39Å; L1103-F1122 HydrophobicContact CD1-CZ 3.52Å; L1103-I1160 HydrophobicContact CB-CG2 3.58Å; L1103-I1160 HydrophobicContact CD1-CD1 4.25Å; L1103-I1160 HydrophobicContact CD1-CG2 4.03Å; L1103-I1160 HydrophobicContact CD2-CB 3.67Å; L1103-I1160 HydrophobicContact CD2-CD1 4.07Å; L1103-I1160 HydrophobicContact CD2-CG1 4.5Å; L1103-I1160 HydrophobicContact CD2-CG2 3.19Å; L1103-I1160 HydrophobicContact CG-CG2 3.72Å; L1103-Y1161 HydrophobicContact CD2-CD1 4.49Å; L1103-Y1161 HydrophobicContact CD2-CD2 3.73Å; L1103-Y1161 HydrophobicContact CD2-CE1 3.98Å; L1103-Y1161 HydrophobicContact CD2-CE2 3.16Å; L1103-Y1161 HydrophobicContact CD2-CG 4.36Å; L1103-Y1161 WeakPolarHBondContact CD2-OH 3.49Å; L1103-Y1161 HydrophobicContact CG-CE2 4.27Å; L1103-Y1161 PolarHBondContact N-OH 2.88Å |
| 1104 | F | 83.5 | Confident | 93.1 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -12.9 | -177.4 | -54.1 | -79.6 | 0 | 0 | 0 | 113.4 | Y1077 P1080 L1102 K1106 F1150 L1153 | Y1077-F1104 AromaticContact CD2-CD2 3.64Å; Y1077-F1104 HydrophobicContact CD2-CD2 3.64Å; Y1077-F1104 AromaticContact CD2-CE2 3.41Å; Y1077-F1104 HydrophobicContact CD2-CE2 3.41Å; Y1077-F1104 VanDerWaalsContact CD2-CE2 3.41Å; Y1077-F1104 HydrophobicContact CD2-CG 4.29Å; Y1077-F1104 AromaticContact CD2-CZ 3.89Å; Y1077-F1104 HydrophobicContact CD2-CZ 3.89Å; Y1077-F1104 HydrophobicContact CE2-CD1 4.11Å; Y1077-F1104 AromaticContact CE2-CD2 3.76Å; Y1077-F1104 HydrophobicContact CE2-CD2 3.76Å; Y1077-F1104 HydrophobicContact CE2-CE1 4.13Å; Y1077-F1104 AromaticContact CE2-CE2 3.78Å; Y1077-F1104 HydrophobicContact CE2-CE2 3.78Å; Y1077-F1104 AromaticContact CE2-CG 3.93Å; Y1077-F1104 HydrophobicContact CE2-CG 3.93Å; Y1077-F1104 AromaticContact CE2-CZ 3.97Å; Y1077-F1104 HydrophobicContact CE2-CZ 3.97Å; P1080-F1104 HydrophobicContact CG-CB 3.4Å; P1080-F1104 VanDerWaalsContact CG-CB 3.4Å; P1080-F1104 HydrophobicContact CG-CG 4.49Å; P1080-F1104 WeakPolarHBondContact CG-O 3.21Å; L1102-F1104 PolarHBondContact O-N 3.27Å; F1104-K1106 PolarHBondContact O-N 3.46Å; F1104-K1106 VanDerWaalsContact O-N 3.11Å; F1104-F1150 HydrophobicContact CD2-CZ 4.38Å; F1104-F1150 HydrophobicContact CE2-CD1 4.37Å; F1104-F1150 HydrophobicContact CE2-CD2 4.32Å; F1104-F1150 AromaticContact CE2-CE1 3.72Å; F1104-F1150 HydrophobicContact CE2-CE1 3.72Å; F1104-F1150 AromaticContact CE2-CE2 3.67Å; F1104-F1150 HydrophobicContact CE2-CE2 3.67Å; F1104-F1150 AromaticContact CE2-CZ 3.37Å; F1104-F1150 HydrophobicContact CE2-CZ 3.37Å; F1104-F1150 HydrophobicContact CZ-CD1 4.37Å; F1104-F1150 HydrophobicContact CZ-CD2 4.25Å; F1104-F1150 HydrophobicContact CZ-CE1 4.16Å; F1104-F1150 HydrophobicContact CZ-CE2 4.04Å; F1104-F1150 HydrophobicContact CZ-CG 4.43Å; F1104-F1150 HydrophobicContact CZ-CZ 4.04Å; F1104-L1153 HydrophobicContact CE1-CD1 3.76Å; F1104-L1153 HydrophobicContact CZ-CD1 4.02Å |
| 1105 | F | 89 | Confident | 93.1 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.039 | 18% | 0.179 | C | C | . | . | trans | -86.6 | 75.6 | 176.9 | -51.5 | -51.4 | 0 | 0 | 0 | 111.2 | I1078 P1080 L1083 L1102 L1103 N1107 L1108 | I1078-F1105 HydrophobicContact CB-CE1 4.47Å; I1078-F1105 HydrophobicContact CB-CZ 3.85Å; I1078-F1105 HydrophobicContact CG2-CE1 4.32Å; I1078-F1105 HydrophobicContact CG2-CZ 3.98Å; P1080-F1105 HydrophobicContact CB-CD1 4.44Å; L1083-F1105 HydrophobicContact CB-CD1 3.91Å; L1083-F1105 HydrophobicContact CB-CE1 3.68Å; L1083-F1105 HydrophobicContact CB-CZ 4.32Å; L1083-F1105 HydrophobicContact CD1-CE1 3.7Å; L1083-F1105 HydrophobicContact CD1-CE2 4.13Å; L1083-F1105 HydrophobicContact CD1-CZ 3.46Å; L1083-F1105 VanDerWaalsContact CD1-CZ 3.46Å; L1083-F1105 HydrophobicContact CG-CE1 4.26Å; L1083-F1105 HydrophobicContact CG-CZ 4.48Å; L1102-F1105 HydrophobicContact CB-CD2 4.17Å; L1102-F1105 HydrophobicContact CD2-CD2 3.99Å; L1102-F1105 HydrophobicContact CD2-CE2 3.79Å; L1102-F1105 WeakPolarHBondContact O-CD2 3.33Å; L1102-F1105 PolarHBondContact O-N 3.41Å; L1102-F1105 VanDerWaalsContact O-N 3.07Å; L1103-F1105 VanDerWaalsContact C-N 3.31Å; F1105-N1107 PolarHBondContact O-N 2.99Å; F1105-L1108 HydrophobicContact CB-CD1 3.7Å; F1105-L1108 HydrophobicContact CB-CG 3.77Å; F1105-L1108 HydrophobicContact CD2-CD1 4.12Å; F1105-L1108 HydrophobicContact CG-CD1 4.43Å; F1105-L1108 WeakPolarHBondContact O-CB 3.49Å; F1105-L1108 WeakPolarHBondContact O-CG 3.45Å; F1105-L1108 PolarHBondContact O-N 3.16Å | ||
| 1106 | K | 85.4 | Confident | 93.1 | Very high | 147 Ų | 147 | 33.1 Ų | 33.1 | 64% | 0.639 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -19.3 | -172.4 | -62.9 | -177.4 | -179.6 | -180 | 0 | 115.4 | F1104 N1163 | F1104-K1106 PolarHBondContact O-N 3.46Å; F1104-K1106 VanDerWaalsContact O-N 3.11Å; K1106-N1163 PolarHBondContact O-ND2 3.29Å |
| 1107 | N | 91.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 36.2 Ų | 36.2 | 39% | 0.39 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -1.8 | -178.2 | -69.6 | -26.8 | 0 | 0 | 0 | 113.9 | I1084 L1086 F1105 K1109 | I1084-N1107 PolarHBondContact O-ND2 3.11Å; L1086-N1107 CarbonylContact O-C 3.59Å; F1105-N1107 PolarHBondContact O-N 2.99Å; N1107-K1109 PolarHBondContact O-N 2.85Å |
| 1108 | L | 95.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | trans | -59.5 | 128 | 175.1 | -77.6 | 176.2 | 0 | 0 | 0 | 111 | L1086 I1089 L1102 F1105 I1111 N1163 L1164 | L1086-L1108 HydrophobicContact CD2-CD2 3.96Å; L1086-L1108 HydrophobicContact CG-CD2 3.93Å; L1086-L1108 PolarHBondContact O-N 2.85Å; I1089-L1108 HydrophobicContact CB-CD2 4.28Å; I1089-L1108 HydrophobicContact CG2-CD1 4.38Å; I1089-L1108 HydrophobicContact CG2-CD2 4Å; L1102-L1108 HydrophobicContact CB-CD1 4.06Å; F1105-L1108 HydrophobicContact CB-CD1 3.7Å; F1105-L1108 HydrophobicContact CB-CG 3.77Å; F1105-L1108 HydrophobicContact CD2-CD1 4.12Å; F1105-L1108 HydrophobicContact CG-CD1 4.43Å; F1105-L1108 WeakPolarHBondContact O-CB 3.49Å; F1105-L1108 WeakPolarHBondContact O-CG 3.45Å; F1105-L1108 PolarHBondContact O-N 3.16Å; L1108-I1111 HydrophobicContact CD1-CD1 4.11Å; L1108-I1111 HydrophobicContact CD1-CG1 4.25Å; L1108-N1163 CarbonylContact O-C 3.4Å; L1108-N1163 VanDerWaalsContact O-C 3.26Å; L1108-L1164 WeakPolarHBondContact O-CA 3.38Å; L1108-L1164 PolarHBondContact O-N 3.13Å | ||
| 1109 | K | 96.7 | Very high | 93 | Very high | 95 Ų | 95 | 35.2 Ų | 35.2 | 41% | 0.413 | 17% | 0.171 | S | C | . | . | trans | -112.1 | -29.8 | 176.8 | -63.9 | -166.6 | 175.3 | -164.8 | 0 | 112.6 | K1087 N1107 N1165 V1166 | K1087-K1109 PolarHBondContact O-N 3.03Å; N1107-K1109 PolarHBondContact O-N 2.85Å; K1109-N1165 PolarHBondContact O-N 3.39Å; K1109-V1166 PolarHBondContact O-N 2.96Å | ||
| 1110 | I | 98 | Very high | 93 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 31% | 0.308 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.5 | -176.7 | -53 | 178.1 | 0 | 0 | 0 | 108.9 | K1087 S1088 I1089 V1166 | K1087-I1110 PolarHBondContact O-N 2.92Å; K1087-I1110 VanDerWaalsContact O-N 3.08Å; S1088-I1110 WeakPolarHBondContact CA-O 3.42Å; I1089-I1110 PolarHBondContact N-O 3.23Å; I1089-I1110 VanDerWaalsContact N-O 3.1Å; I1110-V1166 WeakPolarHBondContact CA-O 3.3Å; I1110-V1166 HydrophobicContact CG1-CB 4.19Å; I1110-V1166 HydrophobicContact CG1-CG2 4.35Å; I1110-V1166 HydrophobicContact CG2-CB 4.27Å |
| 1111 | I | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.8 | 171.5 | -68 | 173.1 | 0 | 0 | 0 | 108 | I1089 L1102 L1108 L1113 Y1161 L1164 V1166 L1167 H1168 | I1089-I1111 HydrophobicContact CG2-CB 4.48Å; I1089-I1111 HydrophobicContact CG2-CG1 3.94Å; L1102-I1111 HydrophobicContact CD1-CD1 4.34Å; L1108-I1111 HydrophobicContact CD1-CD1 4.11Å; L1108-I1111 HydrophobicContact CD1-CG1 4.25Å; I1111-L1113 HydrophobicContact CG2-CD1 3.49Å; I1111-L1113 VanDerWaalsContact CG2-CD1 3.49Å; I1111-L1113 HydrophobicContact CG2-CD2 4.39Å; I1111-L1113 HydrophobicContact CG2-CG 3.59Å; I1111-Y1161 HydrophobicContact CD1-CE1 4.05Å; I1111-L1164 HydrophobicContact CB-CD1 4.13Å; I1111-L1164 HydrophobicContact CD1-CD1 3.71Å; I1111-L1164 HydrophobicContact CD1-CD2 3.96Å; I1111-L1164 HydrophobicContact CG1-CD1 3.63Å; I1111-V1166 PolarHBondContact N-O 3Å; I1111-V1166 VanDerWaalsContact N-O 3.14Å; I1111-L1167 HydrophobicContact CB-CD1 4.01Å; I1111-L1167 HydrophobicContact CG2-CD1 3.98Å; I1111-H1168 PolarHBondContact O-N 2.65Å |
| 1112 | C | 98 | Very high | 93.4 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 11% | 0.108 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 114.5 | 174.8 | -48.8 | 0 | 0 | 0 | 0 | 110.3 | I1089 N1090 L1091 E1092 | I1089-C1112 PolarHBondContact O-N 2.74Å; N1090-C1112 HydrophobicContact CB-CB 4.4Å; L1091-C1112 CarbonylContact C-O 3.57Å; L1091-C1112 WeakPolarHBondContact CA-O 3.46Å; L1091-C1112 PolarHBondContact N-O 3.31Å; E1092-C1112 HydrophobicContact CG-CB 3.82Å; E1092-C1112 PolarHBondContact N-O 3.47Å |
| 1113 | L | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -127.3 | 24.4 | -178.7 | -66.9 | 162.7 | 0 | 0 | 0 | 111.9 | L1091 L1096 F1099 I1111 N1116 I1118 L1167 H1168 L1169 N1172 | L1091-L1113 HydrophobicContact CB-CD2 3.83Å; L1091-L1113 HydrophobicContact CD1-CD2 4.12Å; L1096-L1113 HydrophobicContact CD1-CD2 3.74Å; F1099-L1113 HydrophobicContact CB-CD1 3.57Å; F1099-L1113 HydrophobicContact CB-CD2 4.4Å; F1099-L1113 HydrophobicContact CD1-CD1 3.83Å; F1099-L1113 HydrophobicContact CD2-CD1 4.21Å; F1099-L1113 HydrophobicContact CG-CD1 3.61Å; I1111-L1113 HydrophobicContact CG2-CD1 3.49Å; I1111-L1113 VanDerWaalsContact CG2-CD1 3.49Å; I1111-L1113 HydrophobicContact CG2-CD2 4.39Å; I1111-L1113 HydrophobicContact CG2-CG 3.59Å; L1113-N1116 PolarHBondContact O-ND2 3.49Å; L1113-I1118 HydrophobicContact CB-CG1 4.2Å; L1113-I1118 HydrophobicContact CD1-CD1 4.29Å; L1113-I1118 HydrophobicContact CD1-CG1 4.36Å; L1113-I1118 HydrophobicContact CD2-CD1 4.25Å; L1113-L1167 HydrophobicContact CD1-CD1 4.29Å; L1113-H1168 CarbonylContact C-O 3.33Å; L1113-H1168 WeakPolarHBondContact CA-O 3.22Å; L1113-H1168 WeakPolarHBondContact CB-O 3.18Å; L1113-H1168 PolarHBondContact N-O 3.26Å; L1113-L1169 HydrophobicContact CB-CD2 4.1Å; L1113-L1169 HydrophobicContact CD1-CD2 4.11Å; L1113-N1172 PolarHBondContact O-ND2 3.28Å | ||
| 1114 | N | 97 | Very high | 93.2 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 11% | 0.112 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 147.6 | 176.5 | -60.5 | -39.1 | 0 | 0 | 0 | 110.9 | E1092 K1093 N1116 H1168 A1170 | E1092-N1114 VanDerWaalsContact CA-O 3.26Å; E1092-N1114 WeakPolarHBondContact CA-O 3.48Å; E1092-N1114 HydrophobicContact CG-CB 3.93Å; E1092-N1114 PolarHBondContact OE1-ND2 3.4Å; K1093-N1114 PolarHBondContact N-O 3.04Å; N1114-N1116 PolarHBondContact O-N 3Å; N1114-N1116 PolarHBondContact O-ND2 2.69Å; N1114-H1168 WeakPolarHBondContact OD1-CB 3.21Å; N1114-A1170 VanDerWaalsContact CA-O 3.3Å; N1114-A1170 WeakPolarHBondContact CA-O 3.09Å; N1114-A1170 VanDerWaalsContact OD1-CB 3.25Å; N1114-A1170 WeakPolarHBondContact OD1-CB 3.46Å; N1114-A1170 PolarHBondContact OD1-N 3.27Å |
| 1115 | E | 97.2 | Very high | 93.2 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 48.1 | 177.7 | -58.3 | 177.7 | -125.8 | 0 | 0 | 112.6 | K1093 A1170 Y1171 | K1093-E1115 VanDerWaalsContact CA-O 3.29Å; K1093-E1115 WeakPolarHBondContact CA-O 3.38Å; K1093-E1115 VanDerWaalsContact CE-CD 3.44Å; K1093-E1115 WeakPolarHBondContact CE-OE1 3.4Å; K1093-E1115 VanDerWaalsContact CE-OE2 3.25Å; K1093-E1115 WeakPolarHBondContact CE-OE2 3.43Å; K1093-E1115 HydrophobicContact CG-CB 3.97Å; K1093-E1115 HydrophobicContact CG-CG 4.49Å; K1093-E1115 PolarHBondContact N-O 3.47Å; K1093-E1115 IonicContact NZ-OE1 2.8Å; E1115-A1170 PolarHBondContact N-O 3.09Å; E1115-A1170 VanDerWaalsContact N-O 3.11Å; E1115-Y1171 WeakPolarHBondContact CA-O 3.31Å; E1115-Y1171 HydrophobicContact CG-CG 4.4Å |
| 1116 | N | 97 | Very high | 93 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -116.3 | -164 | 169.5 | -85.1 | -94.1 | 0 | 0 | 0 | 109.5 | L1091 N1094 Y1095 L1096 L1113 N1114 I1118 N1172 | L1091-N1116 PolarHBondContact O-ND2 3.39Å; N1094-N1116 WeakPolarHBondContact CA-OD1 3.46Å; N1094-N1116 WeakPolarHBondContact CB-OD1 3.09Å; N1094-N1116 WeakPolarHBondContact O-CA 2.95Å; N1094-N1116 PolarHBondContact O-OD1 3.33Å; Y1095-N1116 PolarHBondContact N-OD1 2.82Å; L1096-N1116 VanDerWaalsContact CB-OD1 3.31Å; L1096-N1116 WeakPolarHBondContact CB-OD1 3.41Å; L1096-N1116 WeakPolarHBondContact CG-OD1 3.35Å; L1096-N1116 PolarHBondContact N-OD1 3.43Å; L1113-N1116 PolarHBondContact O-ND2 3.49Å; N1114-N1116 PolarHBondContact O-N 3Å; N1114-N1116 PolarHBondContact O-ND2 2.69Å; N1116-I1118 HydrophobicContact CB-CD1 4.37Å; N1116-I1118 HydrophobicContact CB-CG1 3.91Å; N1116-N1172 VanDerWaalsContact CA-OD1 3.31Å; N1116-N1172 WeakPolarHBondContact CA-OD1 3.49Å; N1116-N1172 WeakPolarHBondContact CB-OD1 3.48Å; N1116-N1172 PolarHBondContact N-OD1 3.16Å; N1116-N1172 PolarHBondContact O-OD1 3.14Å |
| 1117 | N | 95.3 | Very high | 92.9 | Very high | 64 Ų | 64 | 44.4 Ų | 44.4 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | trans | -117.6 | 37.5 | 173.5 | -63.5 | -47.6 | 0 | 0 | 0 | 110.8 | L1096 K1097 E1119 N1172 | L1096-N1117 CarbonylContact O-C 3.36Å; L1096-N1117 WeakPolarHBondContact O-CA 3.42Å; L1096-N1117 PolarHBondContact O-N 2.94Å; K1097-N1117 VanDerWaalsContact CA-O 3.3Å; K1097-N1117 WeakPolarHBondContact CA-O 3.42Å; K1097-N1117 HydrophobicContact CG-CB 4.2Å; N1117-E1119 WeakPolarHBondContact O-CG 3.41Å; N1117-E1119 PolarHBondContact O-N 2.97Å; N1117-E1119 VanDerWaalsContact O-N 3.09Å; N1117-N1172 PolarHBondContact N-OD1 3.45Å | ||
| 1118 | I | 96.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | -63.9 | 114.7 | -171.8 | -59.9 | -64.6 | 0 | 0 | 0 | 110.3 | L1096 F1099 L1113 N1116 L1169 N1172 I1174 L1180 | L1096-I1118 HydrophobicContact CB-CD1 3.77Å; L1096-I1118 WeakPolarHBondContact O-CD1 3.32Å; L1096-I1118 PolarHBondContact O-N 3.2Å; F1099-I1118 HydrophobicContact CD1-CD1 4.25Å; F1099-I1118 HydrophobicContact CD1-CG2 3.81Å; F1099-I1118 HydrophobicContact CE1-CG2 3.91Å; L1113-I1118 HydrophobicContact CB-CG1 4.2Å; L1113-I1118 HydrophobicContact CD1-CD1 4.29Å; L1113-I1118 HydrophobicContact CD1-CG1 4.36Å; L1113-I1118 HydrophobicContact CD2-CD1 4.25Å; N1116-I1118 HydrophobicContact CB-CD1 4.37Å; N1116-I1118 HydrophobicContact CB-CG1 3.91Å; I1118-L1169 HydrophobicContact CB-CD2 4.06Å; I1118-L1169 HydrophobicContact CG1-CD2 4.13Å; I1118-L1169 HydrophobicContact CG2-CD2 3.84Å; I1118-N1172 HydrophobicContact CB-CB 4.28Å; I1118-N1172 VanDerWaalsContact CB-OD1 3.3Å; I1118-N1172 WeakPolarHBondContact CB-OD1 3.21Å; I1118-N1172 WeakPolarHBondContact CG1-OD1 3.3Å; I1118-N1172 PolarHBondContact N-OD1 3.18Å; I1118-I1174 WeakPolarHBondContact O-CG1 3.38Å; I1118-L1180 HydrophobicContact CG2-CD2 3.8Å | ||
| 1119 | E | 92.2 | Very high | 92 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | trans | -106.8 | -27.5 | 179.1 | -69.1 | 167.1 | -153.3 | 0 | 0 | 111.6 | K1097 N1117 K1179 | K1097-E1119 IonicContact NZ-OE1 3.48Å; K1097-E1119 PolarHBondContact NZ-OE1 3.04Å; K1097-E1119 PolarHBondContact O-N 3.49Å; N1117-E1119 WeakPolarHBondContact O-CG 3.41Å; N1117-E1119 PolarHBondContact O-N 2.97Å; N1117-E1119 VanDerWaalsContact O-N 3.09Å; E1119-K1179 WeakPolarHBondContact O-CB 3.42Å | ||
| 1120 | S | 93.1 | Very high | 91.3 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 15% | 0.147 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -158.2 | 164.6 | -171.6 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | K1097 S1098 F1122 K1179 | K1097-S1120 PolarHBondContact O-N 2.75Å; S1098-S1120 WeakPolarHBondContact CA-O 3.35Å; S1098-S1120 WeakPolarHBondContact CB-O 3.42Å; S1120-F1122 WeakPolarHBondContact CB-O 3.49Å; S1120-F1122 PolarHBondContact OG-O 3.41Å; S1120-K1179 WeakPolarHBondContact CA-O 3.33Å |
| 1121 | L | 92.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -69.1 | -51.8 | 172.6 | 178.8 | 61.1 | 0 | 0 | 0 | 111.5 | F1099 G1100 L1103 I1160 Y1161 K1179 L1180 Q1181 | F1099-L1121 HydrophobicContact CD2-CD1 3.86Å; F1099-L1121 HydrophobicContact CE1-CD1 4.15Å; F1099-L1121 HydrophobicContact CE2-CD1 3.3Å; F1099-L1121 HydrophobicContact CG-CD1 4.49Å; F1099-L1121 HydrophobicContact CZ-CD1 3.47Å; F1099-L1121 VanDerWaalsContact CZ-CD1 3.47Å; F1099-L1121 PolarHBondContact N-O 3.38Å; G1100-L1121 WeakPolarHBondContact CA-O 3.45Å; G1100-L1121 PolarHBondContact N-O 2.73Å; L1103-L1121 HydrophobicContact CD2-CD1 4.13Å; L1121-I1160 HydrophobicContact CD2-CD1 4.06Å; L1121-Y1161 HydrophobicContact CD1-CE2 3.87Å; L1121-K1179 PolarHBondContact N-O 3.4Å; L1121-L1180 WeakPolarHBondContact CB-O 3.34Å; L1121-Q1181 HydrophobicContact CD2-CB 4.04Å |
| 1122 | F | 90.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -99.2 | 148.5 | 177.8 | -69.7 | -89.7 | 0 | 0 | 0 | 110.9 | L1103 S1120 I1126 F1150 L1153 Y1154 I1160 | L1103-F1122 HydrophobicContact CD1-CD1 4.14Å; L1103-F1122 HydrophobicContact CD1-CE1 3.36Å; L1103-F1122 HydrophobicContact CD1-CE2 4.39Å; L1103-F1122 HydrophobicContact CD1-CZ 3.52Å; S1120-F1122 WeakPolarHBondContact CB-O 3.49Å; S1120-F1122 PolarHBondContact OG-O 3.41Å; F1122-I1126 HydrophobicContact CD1-CG2 4.35Å; F1122-F1150 HydrophobicContact CD1-CD1 4.46Å; F1122-F1150 HydrophobicContact CE1-CD1 4.29Å; F1122-L1153 HydrophobicContact CE1-CB 4.37Å; F1122-L1153 HydrophobicContact CZ-CB 4.27Å; F1122-Y1154 HydrophobicContact CB-CD2 3.81Å; F1122-Y1154 HydrophobicContact CB-CE2 4.28Å; F1122-Y1154 HydrophobicContact CD1-CD2 4.28Å; F1122-Y1154 AromaticContact CD2-CD2 3.67Å; F1122-Y1154 HydrophobicContact CD2-CD2 3.67Å; F1122-Y1154 HydrophobicContact CD2-CE2 4.37Å; F1122-Y1154 HydrophobicContact CE2-CD2 4.26Å; F1122-Y1154 AromaticContact CG-CD2 3.67Å; F1122-Y1154 HydrophobicContact CG-CD2 3.67Å; F1122-Y1154 HydrophobicContact CG-CE2 4.49Å; F1122-I1160 HydrophobicContact CE2-CD1 3.63Å; F1122-I1160 HydrophobicContact CZ-CD1 3.43Å; F1122-I1160 VanDerWaalsContact CZ-CD1 3.43Å |
| 1123 | S | 87.5 | Confident | 88.2 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 30% | 0.301 | 25% | 0.248 | S | C | . | . | trans | -65 | 151.5 | 175.4 | 65.1 | 0 | 0 | 0 | 0 | 111.3 | S1098 H1125 I1126 Y1127 | S1098-S1123 WeakPolarHBondContact OG-CA 3.43Å; S1098-S1123 PolarHBondContact OG-N 3.38Å; S1123-H1125 PolarHBondContact O-N 2.9Å; S1123-H1125 VanDerWaalsContact O-N 3.14Å; S1123-I1126 PolarHBondContact O-N 3.48Å; S1123-I1126 VanDerWaalsContact O-N 3.12Å; S1123-Y1127 PolarHBondContact O-N 3.27Å | ||
| 1124 | N | 85.4 | Confident | 86.5 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.2 | -27 | 175.7 | -168.4 | 39.6 | 0 | 0 | 0 | 112.4 | Y1127 L1128 | N1124-Y1127 WeakPolarHBondContact O-CB 3.35Å; N1124-Y1127 PolarHBondContact O-N 2.98Å; N1124-Y1127 WeakPolarHBondContact OD1-CD1 3.49Å; N1124-L1128 VanDerWaalsContact O-CG 3.32Å; N1124-L1128 WeakPolarHBondContact O-CG 3.18Å; N1124-L1128 PolarHBondContact O-N 3.47Å |
| 1125 | H | 84.4 | Confident | 84.6 | Confident | 103 Ų | 103 | 57.3 Ų | 57.3 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 175.3 | -177.2 | 68 | 0 | 0 | 0 | 112.4 | S1123 Y1127 L1128 L1129 | S1123-H1125 PolarHBondContact O-N 2.9Å; S1123-H1125 VanDerWaalsContact O-N 3.14Å; H1125-Y1127 VanDerWaalsContact C-N 3.3Å; H1125-Y1127 PolarHBondContact O-N 3.38Å; H1125-L1128 PolarHBondContact O-N 2.7Å; H1125-L1129 VanDerWaalsContact NE2-CD1 3.31Å; H1125-L1129 WeakPolarHBondContact NE2-CD1 3.43Å; H1125-L1129 WeakPolarHBondContact O-CG 3.25Å; H1125-L1129 PolarHBondContact O-N 2.8Å |
| 1126 | I | 85.1 | Confident | 82.3 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 177.1 | -62.7 | -57.2 | 0 | 0 | 0 | 111.1 | F1122 S1123 S1130 F1150 I1151 Y1154 | F1122-I1126 HydrophobicContact CD1-CG2 4.35Å; S1123-I1126 PolarHBondContact O-N 3.48Å; S1123-I1126 VanDerWaalsContact O-N 3.12Å; I1126-S1130 WeakPolarHBondContact O-CB 3.29Å; I1126-S1130 PolarHBondContact O-N 2.79Å; I1126-F1150 HydrophobicContact CD1-CB 3.71Å; I1126-F1150 HydrophobicContact CD1-CG 4.28Å; I1126-F1150 HydrophobicContact CG1-CB 4.2Å; I1126-F1150 HydrophobicContact CG2-CB 4.38Å; I1126-I1151 HydrophobicContact CG2-CG1 4.35Å; I1126-Y1154 HydrophobicContact CG2-CD2 4.33Å; I1126-Y1154 HydrophobicContact CG2-CG 4Å |
| 1127 | Y | 83.7 | Confident | 79.7 | Confident | 103 Ų | 103 | 66.7 Ų | 66.7 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 173.1 | 169.6 | -107.8 | 0 | 0 | 0 | 111.9 | S1123 N1124 H1125 S1130 N1131 Y1154 | S1123-Y1127 PolarHBondContact O-N 3.27Å; N1124-Y1127 WeakPolarHBondContact O-CB 3.35Å; N1124-Y1127 PolarHBondContact O-N 2.98Å; N1124-Y1127 WeakPolarHBondContact OD1-CD1 3.49Å; H1125-Y1127 VanDerWaalsContact C-N 3.3Å; H1125-Y1127 PolarHBondContact O-N 3.38Å; Y1127-S1130 PolarHBondContact O-N 3.39Å; Y1127-N1131 WeakPolarHBondContact CE1-ND2 3.49Å; Y1127-N1131 WeakPolarHBondContact CE2-ND2 3.15Å; Y1127-N1131 PolarHBondContact O-N 2.81Å; Y1127-N1131 PolarHBondContact OH-ND2 3.13Å; Y1127-Y1154 HydrophobicContact CD2-CE1 4.38Å; Y1127-Y1154 AromaticContact CD2-CZ 3.88Å; Y1127-Y1154 VanDerWaalsContact CD2-OH 3.24Å; Y1127-Y1154 WeakPolarHBondContact CD2-OH 3.41Å |
| 1128 | L | 84.7 | Confident | 77.4 | Confident | 80 Ų | 80 | 69.3 Ų | 69.3 | 42% | 0.419 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 179.2 | -70.6 | 172.4 | 0 | 0 | 0 | 112 | N1124 H1125 S1130 N1131 N1132 | N1124-L1128 VanDerWaalsContact O-CG 3.32Å; N1124-L1128 WeakPolarHBondContact O-CG 3.18Å; N1124-L1128 PolarHBondContact O-N 3.47Å; H1125-L1128 PolarHBondContact O-N 2.7Å; L1128-S1130 PolarHBondContact O-N 3.38Å; L1128-N1131 PolarHBondContact O-N 2.85Å; L1128-N1132 WeakPolarHBondContact O-CB 3.48Å; L1128-N1132 VanDerWaalsContact O-CG 3.23Å; L1128-N1132 PolarHBondContact O-N 3.15Å; L1128-N1132 PolarHBondContact O-ND2 3.41Å |
| 1129 | L | 82.7 | Confident | 75.1 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 175.6 | -73.8 | -178.7 | 0 | 0 | 0 | 111.8 | H1125 N1131 N1132 L1133 L1143 I1151 | H1125-L1129 VanDerWaalsContact NE2-CD1 3.31Å; H1125-L1129 WeakPolarHBondContact NE2-CD1 3.43Å; H1125-L1129 WeakPolarHBondContact O-CG 3.25Å; H1125-L1129 PolarHBondContact O-N 2.8Å; L1129-N1131 VanDerWaalsContact C-N 3.31Å; L1129-N1131 PolarHBondContact O-N 2.9Å; L1129-N1132 PolarHBondContact O-N 2.99Å; L1129-L1133 WeakPolarHBondContact O-CB 3.5Å; L1129-L1133 WeakPolarHBondContact O-CG 3.37Å; L1129-L1133 PolarHBondContact O-N 3.44Å; L1129-L1143 HydrophobicContact CD1-CD2 4.04Å; L1129-L1143 HydrophobicContact CD2-CD2 4.21Å; L1129-I1151 HydrophobicContact CB-CD1 3.88Å; L1129-I1151 HydrophobicContact CB-CG1 4.4Å; L1129-I1151 HydrophobicContact CD1-CD1 4.37Å |
| 1130 | S | 82.3 | Confident | 73 | Confident | 3 Ų | 3 | 80.9 Ų | 80.9 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 112.3 | I1126 Y1127 L1128 Y1154 K1155 | I1126-S1130 WeakPolarHBondContact O-CB 3.29Å; I1126-S1130 PolarHBondContact O-N 2.79Å; Y1127-S1130 PolarHBondContact O-N 3.39Å; L1128-S1130 PolarHBondContact O-N 3.38Å; S1130-Y1154 WeakPolarHBondContact OG-CD1 3.49Å; S1130-K1155 WeakPolarHBondContact OG-CE 3.5Å |
| 1131 | N | 80.6 | Confident | 70.9 | Confident | 50 Ų | 50 | 89.4 Ų | 89.4 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -76.4 | -40.5 | 179.8 | -70.3 | -13.4 | 0 | 0 | 0 | 112.5 | Y1127 L1128 L1129 L1133 N1134 N1135 | Y1127-N1131 WeakPolarHBondContact CE1-ND2 3.49Å; Y1127-N1131 WeakPolarHBondContact CE2-ND2 3.15Å; Y1127-N1131 PolarHBondContact O-N 2.81Å; Y1127-N1131 PolarHBondContact OH-ND2 3.13Å; L1128-N1131 PolarHBondContact O-N 2.85Å; L1129-N1131 VanDerWaalsContact C-N 3.31Å; L1129-N1131 PolarHBondContact O-N 2.9Å; N1131-L1133 VanDerWaalsContact C-N 3.27Å; N1131-L1133 PolarHBondContact O-N 3.18Å; N1131-N1134 WeakPolarHBondContact O-CB 3.08Å; N1131-N1134 PolarHBondContact O-N 2.9Å; N1131-N1135 PolarHBondContact O-N 3.09Å |
| 1132 | N | 76.8 | Confident | 69.4 | Low | 96 Ų | 96 | 99.3 Ų | 99.3 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 175.6 | -73 | -17.2 | 0 | 0 | 0 | 111.1 | L1128 L1129 N1134 N1135 | L1128-N1132 WeakPolarHBondContact O-CB 3.48Å; L1128-N1132 VanDerWaalsContact O-CG 3.23Å; L1128-N1132 PolarHBondContact O-N 3.15Å; L1128-N1132 PolarHBondContact O-ND2 3.41Å; L1129-N1132 PolarHBondContact O-N 2.99Å; N1132-N1134 PolarHBondContact O-N 3.35Å; N1132-N1135 CarbonylContact O-C 3.57Å; N1132-N1135 PolarHBondContact O-N 2.95Å; N1132-N1135 VanDerWaalsContact O-N 3.15Å |
| 1133 | L | 70.3 | Confident | 68 | Low | 77 Ų | 77 | 100.8 Ų | 100.8 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -27.2 | 172.5 | -80.8 | 172.6 | 0 | 0 | 0 | 114.2 | L1129 N1131 N1135 L1143 I1151 | L1129-L1133 WeakPolarHBondContact O-CB 3.5Å; L1129-L1133 WeakPolarHBondContact O-CG 3.37Å; L1129-L1133 PolarHBondContact O-N 3.44Å; N1131-L1133 VanDerWaalsContact C-N 3.27Å; N1131-L1133 PolarHBondContact O-N 3.18Å; L1133-N1135 VanDerWaalsContact C-N 3.33Å; L1133-L1143 HydrophobicContact CD1-CD1 3.58Å; L1133-L1143 HydrophobicContact CD2-CD1 3.71Å; L1133-L1143 HydrophobicContact CG-CD1 3.93Å; L1133-I1151 HydrophobicContact CD1-CD1 3.75Å; L1133-I1151 HydrophobicContact CD1-CG2 3.95Å |
| 1134 | N | 62.7 | Low | 67.3 | Low | 100 Ų | 100 | 102.3 Ų | 102.3 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77 | -25.5 | 176.8 | -68.7 | -12 | 0 | 0 | 0 | 111.5 | N1131 N1132 K1155 | N1131-N1134 WeakPolarHBondContact O-CB 3.08Å; N1131-N1134 PolarHBondContact O-N 2.9Å; N1132-N1134 PolarHBondContact O-N 3.35Å; N1134-K1155 PolarHBondContact OD1-NZ 3.07Å |
| 1135 | N | 56.1 | Low | 66.8 | Low | 101 Ų | 101 | 101.5 Ų | 101.5 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 103.5 | 172.3 | -63.9 | -24.3 | 0 | 0 | 0 | 107 | N1131 N1132 L1133 I1137 | N1131-N1135 PolarHBondContact O-N 3.09Å; N1132-N1135 CarbonylContact O-C 3.57Å; N1132-N1135 PolarHBondContact O-N 2.95Å; N1132-N1135 VanDerWaalsContact O-N 3.15Å; L1133-N1135 VanDerWaalsContact C-N 3.33Å; N1135-I1137 PolarHBondContact O-N 3.49Å |
| 1136 | N | 49.6 | Very low | 66.4 | Low | 160 Ų | 160 | 99 Ų | 99 | 86% | 0.856 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 44.4 | -174.8 | -77.1 | -29 | 0 | 0 | 0 | 116.7 | ||
| 1137 | I | 43.2 | Very low | 66.1 | Low | 136 Ų | 136 | 100.9 Ų | 100.9 | 70% | 0.697 | 51% | 0.505 | S | S | * | . | trans | -123.9 | 117 | -173.3 | -54.4 | 177.4 | 0 | 0 | 0 | 107.5 | N1135 | N1135-I1137 PolarHBondContact O-N 3.49Š| ||
| 1138 | N | 46 | Very low | 66 | Low | 119 Ų | 119 | 99.8 Ų | 99.8 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | trans | 89.3 | 79.5 | 176.6 | -59.4 | -23 | 0 | 0 | 0 | 117.2 | N1140 | N1138-N1140 PolarHBondContact O-N 3.47Š| ||
| 1139 | H | 48.4 | Very low | 65.8 | Low | 195 Ų | 195 | 99.7 Ų | 99.7 | 90% | 0.903 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 1.1 | 160 | -88.6 | -68.7 | 0 | 0 | 0 | 115.3 | ||
| 1140 | N | 48.5 | Very low | 65.8 | Low | 152 Ų | 152 | 99.2 Ų | 99.2 | 81% | 0.813 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -10.4 | -174.2 | -72.1 | -6.5 | 0 | 0 | 0 | 114.7 | N1138 | N1138-N1140 PolarHBondContact O-N 3.47Š|
| 1141 | Y | 49.3 | Very low | 65.9 | Low | 200 Ų | 200 | 99.1 Ų | 99.1 | 78% | 0.784 | 50% | 0.501 | S | S | * | . | trans | -93.7 | 100.2 | 172.4 | -88.7 | -85.7 | 0 | 0 | 0 | 110.4 | L1143 | Y1141-L1143 VanDerWaalsContact C-N 3.34Å; Y1141-L1143 PolarHBondContact O-N 3.28Å | ||
| 1142 | K | 60 | Low | 66.1 | Low | 209 Ų | 209 | 100.8 Ų | 100.8 | 91% | 0.909 | 51% | 0.51 | S | S | * | . | trans | -74.6 | 86.9 | 175.6 | -150.6 | 176.7 | -170.5 | 178.6 | 0 | 108.7 | N1144 | K1142-N1144 PolarHBondContact O-N 3.1Š| ||
| 1143 | L | 60.9 | Low | 66.5 | Low | 41 Ų | 41 | 97.8 Ų | 97.8 | 22% | 0.215 | 49% | 0.494 | C | S | . | . | trans | -54.7 | 133.2 | 176.3 | -73.3 | 168.3 | 0 | 0 | 0 | 110.1 | L1129 L1133 Y1141 E1147 L1148 I1151 | L1129-L1143 HydrophobicContact CD1-CD2 4.04Å; L1129-L1143 HydrophobicContact CD2-CD2 4.21Å; L1133-L1143 HydrophobicContact CD1-CD1 3.58Å; L1133-L1143 HydrophobicContact CD2-CD1 3.71Å; L1133-L1143 HydrophobicContact CG-CD1 3.93Å; Y1141-L1143 VanDerWaalsContact C-N 3.34Å; Y1141-L1143 PolarHBondContact O-N 3.28Å; L1143-E1147 WeakPolarHBondContact CA-OE2 3.36Å; L1143-E1147 HydrophobicContact CD2-CB 4.08Å; L1143-E1147 WeakPolarHBondContact CD2-OE2 3.33Å; L1143-L1148 HydrophobicContact CD1-CD1 4.44Å; L1143-I1151 HydrophobicContact CD1-CD1 3.94Å; L1143-I1151 HydrophobicContact CD2-CD1 4.19Å | ||
| 1144 | N | 72.1 | Confident | 67.3 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 40% | 0.396 | 49% | 0.485 | S | S | . | . | trans | -75.1 | 159.6 | 175 | 67.7 | 47.4 | 0 | 0 | 0 | 110.2 | K1142 I1146 E1147 L1148 | K1142-N1144 PolarHBondContact O-N 3.1Å; N1144-I1146 PolarHBondContact O-N 3.12Å; N1144-I1146 VanDerWaalsContact O-N 3.13Å; N1144-I1146 WeakPolarHBondContact OD1-CB 3.37Å; N1144-I1146 PolarHBondContact OD1-N 3.21Å; N1144-E1147 PolarHBondContact N-OE2 3.17Å; N1144-E1147 VanDerWaalsContact ND2-CD 3.26Å; N1144-E1147 PolarHBondContact ND2-OE1 2.74Å; N1144-E1147 PolarHBondContact ND2-OE2 3.4Å; N1144-E1147 PolarHBondContact O-N 2.89Å; N1144-E1147 WeakPolarHBondContact OD1-CB 3.41Å; N1144-E1147 VanDerWaalsContact OD1-CG 3.31Å; N1144-E1147 WeakPolarHBondContact OD1-CG 3.34Å; N1144-E1147 PolarHBondContact OD1-N 2.96Å; N1144-L1148 PolarHBondContact O-N 3.39Å | ||
| 1145 | S | 74.7 | Confident | 68.3 | Low | 89 Ų | 89 | 96.3 Ų | 96.3 | 62% | 0.622 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.9 | -27.4 | -177 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | N1149 | S1145-N1149 VanDerWaalsContact O-CG 3.23Å; S1145-N1149 PolarHBondContact O-N 3.44Å; S1145-N1149 PolarHBondContact O-ND2 3.35Å |
| 1146 | I | 76.1 | Confident | 69.6 | Low | 51 Ų | 51 | 92.9 Ų | 92.9 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.4 | -47.9 | 179.8 | -65.8 | 165.2 | 0 | 0 | 0 | 110.7 | Y1077 N1144 L1148 N1149 F1150 | Y1077-I1146 VanDerWaalsContact CB-CG2 3.47Å; Y1077-I1146 HydrophobicContact CD1-CD1 3.6Å; Y1077-I1146 HydrophobicContact CD1-CG1 4.08Å; Y1077-I1146 HydrophobicContact CD1-CG2 4.35Å; Y1077-I1146 HydrophobicContact CD2-CG2 3.88Å; Y1077-I1146 HydrophobicContact CE1-CD1 4.15Å; Y1077-I1146 HydrophobicContact CE1-CG1 4.39Å; Y1077-I1146 HydrophobicContact CG-CD1 4.01Å; Y1077-I1146 HydrophobicContact CG-CG1 4.2Å; Y1077-I1146 HydrophobicContact CG-CG2 3.64Å; N1144-I1146 PolarHBondContact O-N 3.12Å; N1144-I1146 VanDerWaalsContact O-N 3.13Å; N1144-I1146 WeakPolarHBondContact OD1-CB 3.37Å; N1144-I1146 PolarHBondContact OD1-N 3.21Å; I1146-L1148 VanDerWaalsContact C-N 3.27Å; I1146-L1148 PolarHBondContact O-N 3.39Å; I1146-N1149 WeakPolarHBondContact O-CA 3.43Å; I1146-N1149 WeakPolarHBondContact O-CB 3.47Å; I1146-N1149 PolarHBondContact O-N 3.35Å; I1146-N1149 VanDerWaalsContact O-N 3.09Å; I1146-F1150 HydrophobicContact CG2-CD2 3.9Å; I1146-F1150 HydrophobicContact CG2-CE2 3.87Å; I1146-F1150 WeakPolarHBondContact O-CD2 3.49Å; I1146-F1150 PolarHBondContact O-N 2.87Å |
| 1147 | E | 80.3 | Confident | 70.8 | Confident | 52 Ų | 52 | 94.3 Ų | 94.3 | 24% | 0.243 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 173.4 | -74.2 | 164.7 | 170 | 0 | 0 | 110.3 | L1143 N1144 N1149 F1150 I1151 | L1143-E1147 WeakPolarHBondContact CA-OE2 3.36Å; L1143-E1147 HydrophobicContact CD2-CB 4.08Å; L1143-E1147 WeakPolarHBondContact CD2-OE2 3.33Å; N1144-E1147 PolarHBondContact N-OE2 3.17Å; N1144-E1147 VanDerWaalsContact ND2-CD 3.26Å; N1144-E1147 PolarHBondContact ND2-OE1 2.74Å; N1144-E1147 PolarHBondContact ND2-OE2 3.4Å; N1144-E1147 PolarHBondContact O-N 2.89Å; N1144-E1147 WeakPolarHBondContact OD1-CB 3.41Å; N1144-E1147 VanDerWaalsContact OD1-CG 3.31Å; N1144-E1147 WeakPolarHBondContact OD1-CG 3.34Å; N1144-E1147 PolarHBondContact OD1-N 2.96Å; E1147-N1149 VanDerWaalsContact C-N 3.3Å; E1147-N1149 PolarHBondContact O-N 2.83Å; E1147-F1150 PolarHBondContact O-N 3.41Å; E1147-I1151 WeakPolarHBondContact O-CB 3.41Å; E1147-I1151 WeakPolarHBondContact O-CD1 3.41Å; E1147-I1151 WeakPolarHBondContact O-CG1 3.31Å; E1147-I1151 PolarHBondContact O-N 2.91Å |
| 1148 | L | 80 | Confident | 72.8 | Confident | 79 Ų | 79 | 92.5 Ų | 92.5 | 41% | 0.414 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175 | -155 | 94.9 | 0 | 0 | 0 | 111.3 | L1143 N1144 I1146 I1151 N1152 | L1143-L1148 HydrophobicContact CD1-CD1 4.44Å; N1144-L1148 PolarHBondContact O-N 3.39Å; I1146-L1148 VanDerWaalsContact C-N 3.27Å; I1146-L1148 PolarHBondContact O-N 3.39Å; L1148-I1151 PolarHBondContact O-N 2.87Å; L1148-N1152 VanDerWaalsContact O-CB 3.29Å; L1148-N1152 WeakPolarHBondContact O-CB 3.32Å; L1148-N1152 PolarHBondContact O-N 2.85Å; L1148-N1152 PolarHBondContact O-ND2 3.48Å |
| 1149 | N | 81.6 | Confident | 74.7 | Confident | 78 Ų | 78 | 90.7 Ų | 90.7 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.9 | -76.3 | -14.9 | 0 | 0 | 0 | 112 | S1145 I1146 E1147 I1151 N1152 L1153 | S1145-N1149 VanDerWaalsContact O-CG 3.23Å; S1145-N1149 PolarHBondContact O-N 3.44Å; S1145-N1149 PolarHBondContact O-ND2 3.35Å; I1146-N1149 WeakPolarHBondContact O-CA 3.43Å; I1146-N1149 WeakPolarHBondContact O-CB 3.47Å; I1146-N1149 PolarHBondContact O-N 3.35Å; I1146-N1149 VanDerWaalsContact O-N 3.09Å; E1147-N1149 VanDerWaalsContact C-N 3.3Å; E1147-N1149 PolarHBondContact O-N 2.83Å; N1149-I1151 VanDerWaalsContact C-N 3.35Å; N1149-I1151 PolarHBondContact O-N 3.45Å; N1149-N1152 PolarHBondContact O-N 3.42Å; N1149-L1153 WeakPolarHBondContact O-CB 2.96Å; N1149-L1153 VanDerWaalsContact O-CG 3.27Å; N1149-L1153 WeakPolarHBondContact O-CG 3.31Å; N1149-L1153 PolarHBondContact O-N 3.47Å |
| 1150 | F | 83.4 | Confident | 76.6 | Confident | 21 Ų | 21 | 82 Ų | 82 | 9% | 0.092 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 174.8 | -86.5 | -73.5 | 0 | 0 | 0 | 112.5 | G1100 F1104 F1122 I1126 I1146 E1147 L1153 Y1154 | G1100-F1150 WeakPolarHBondContact O-CE1 3.36Å; F1104-F1150 HydrophobicContact CD2-CZ 4.38Å; F1104-F1150 HydrophobicContact CE2-CD1 4.37Å; F1104-F1150 HydrophobicContact CE2-CD2 4.32Å; F1104-F1150 AromaticContact CE2-CE1 3.72Å; F1104-F1150 HydrophobicContact CE2-CE1 3.72Å; F1104-F1150 AromaticContact CE2-CE2 3.67Å; F1104-F1150 HydrophobicContact CE2-CE2 3.67Å; F1104-F1150 AromaticContact CE2-CZ 3.37Å; F1104-F1150 HydrophobicContact CE2-CZ 3.37Å; F1104-F1150 HydrophobicContact CZ-CD1 4.37Å; F1104-F1150 HydrophobicContact CZ-CD2 4.25Å; F1104-F1150 HydrophobicContact CZ-CE1 4.16Å; F1104-F1150 HydrophobicContact CZ-CE2 4.04Å; F1104-F1150 HydrophobicContact CZ-CG 4.43Å; F1104-F1150 HydrophobicContact CZ-CZ 4.04Å; F1122-F1150 HydrophobicContact CD1-CD1 4.46Å; F1122-F1150 HydrophobicContact CE1-CD1 4.29Å; I1126-F1150 HydrophobicContact CD1-CB 3.71Å; I1126-F1150 HydrophobicContact CD1-CG 4.28Å; I1126-F1150 HydrophobicContact CG1-CB 4.2Å; I1126-F1150 HydrophobicContact CG2-CB 4.38Å; I1146-F1150 HydrophobicContact CG2-CD2 3.9Å; I1146-F1150 HydrophobicContact CG2-CE2 3.87Å; I1146-F1150 WeakPolarHBondContact O-CD2 3.49Å; I1146-F1150 PolarHBondContact O-N 2.87Å; E1147-F1150 PolarHBondContact O-N 3.41Å; F1150-L1153 PolarHBondContact O-N 3.11Å; F1150-Y1154 VanDerWaalsContact O-CB 3.23Å; F1150-Y1154 WeakPolarHBondContact O-CB 3.32Å; F1150-Y1154 PolarHBondContact O-N 3.07Å |
| 1151 | I | 83.8 | Confident | 78.6 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.3 | -69.3 | 164.3 | 0 | 0 | 0 | 110.4 | I1126 L1129 L1133 L1143 E1147 L1148 N1149 L1153 Y1154 K1155 | I1126-I1151 HydrophobicContact CG2-CG1 4.35Å; L1129-I1151 HydrophobicContact CB-CD1 3.88Å; L1129-I1151 HydrophobicContact CB-CG1 4.4Å; L1129-I1151 HydrophobicContact CD1-CD1 4.37Å; L1133-I1151 HydrophobicContact CD1-CD1 3.75Å; L1133-I1151 HydrophobicContact CD1-CG2 3.95Å; L1143-I1151 HydrophobicContact CD1-CD1 3.94Å; L1143-I1151 HydrophobicContact CD2-CD1 4.19Å; E1147-I1151 WeakPolarHBondContact O-CB 3.41Å; E1147-I1151 WeakPolarHBondContact O-CD1 3.41Å; E1147-I1151 WeakPolarHBondContact O-CG1 3.31Å; E1147-I1151 PolarHBondContact O-N 2.91Å; L1148-I1151 PolarHBondContact O-N 2.87Å; N1149-I1151 VanDerWaalsContact C-N 3.35Å; N1149-I1151 PolarHBondContact O-N 3.45Å; I1151-L1153 VanDerWaalsContact C-N 3.34Å; I1151-L1153 PolarHBondContact O-N 3.44Å; I1151-Y1154 PolarHBondContact O-N 3.18Å; I1151-K1155 HydrophobicContact CG2-CD 4.06Å; I1151-K1155 HydrophobicContact CG2-CG 4.33Å; I1151-K1155 WeakPolarHBondContact O-CB 3.33Å; I1151-K1155 WeakPolarHBondContact O-CG 3.42Å; I1151-K1155 PolarHBondContact O-N 3.34Å |
| 1152 | N | 85.2 | Confident | 80.4 | Confident | 84 Ų | 84 | 67.7 Ų | 67.7 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.2 | -72 | -22.1 | 0 | 0 | 0 | 111 | L1148 N1149 S1156 | L1148-N1152 VanDerWaalsContact O-CB 3.29Å; L1148-N1152 WeakPolarHBondContact O-CB 3.32Å; L1148-N1152 PolarHBondContact O-N 2.85Å; L1148-N1152 PolarHBondContact O-ND2 3.48Å; N1149-N1152 PolarHBondContact O-N 3.42Å; N1152-S1156 WeakPolarHBondContact O-CB 3.45Å; N1152-S1156 PolarHBondContact O-N 2.93Å; N1152-S1156 PolarHBondContact O-OG 2.98Å |
| 1153 | L | 84.9 | Confident | 82 | Confident | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.2 | -73.7 | 173.8 | 0 | 0 | 0 | 111.9 | F1104 F1122 N1149 F1150 I1151 S1156 R1184 | F1104-L1153 HydrophobicContact CE1-CD1 3.76Å; F1104-L1153 HydrophobicContact CZ-CD1 4.02Å; F1122-L1153 HydrophobicContact CE1-CB 4.37Å; F1122-L1153 HydrophobicContact CZ-CB 4.27Å; N1149-L1153 WeakPolarHBondContact O-CB 2.96Å; N1149-L1153 VanDerWaalsContact O-CG 3.27Å; N1149-L1153 WeakPolarHBondContact O-CG 3.31Å; N1149-L1153 PolarHBondContact O-N 3.47Å; F1150-L1153 PolarHBondContact O-N 3.11Å; I1151-L1153 VanDerWaalsContact C-N 3.34Å; I1151-L1153 PolarHBondContact O-N 3.44Å; L1153-S1156 WeakPolarHBondContact CA-OG 3.33Å; L1153-S1156 PolarHBondContact O-N 3.36Å; L1153-S1156 VanDerWaalsContact O-O 3.07Å; L1153-S1156 PolarHBondContact O-OG 3.49Å; L1153-R1184 PolarHBondContact O-NH1 3.16Å; L1153-R1184 PolarHBondContact O-NH2 2.9Å |
| 1154 | Y | 85.8 | Confident | 83.7 | Confident | 55 Ų | 55 | 59 Ų | 59 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 176.4 | 177.6 | -95.9 | 0 | 0 | 0 | 111.8 | F1122 I1126 Y1127 S1130 F1150 I1151 | F1122-Y1154 HydrophobicContact CB-CD2 3.81Å; F1122-Y1154 HydrophobicContact CB-CE2 4.28Å; F1122-Y1154 HydrophobicContact CD1-CD2 4.28Å; F1122-Y1154 AromaticContact CD2-CD2 3.67Å; F1122-Y1154 HydrophobicContact CD2-CD2 3.67Å; F1122-Y1154 HydrophobicContact CD2-CE2 4.37Å; F1122-Y1154 HydrophobicContact CE2-CD2 4.26Å; F1122-Y1154 AromaticContact CG-CD2 3.67Å; F1122-Y1154 HydrophobicContact CG-CD2 3.67Å; F1122-Y1154 HydrophobicContact CG-CE2 4.49Å; I1126-Y1154 HydrophobicContact CG2-CD2 4.33Å; I1126-Y1154 HydrophobicContact CG2-CG 4Å; Y1127-Y1154 HydrophobicContact CD2-CE1 4.38Å; Y1127-Y1154 AromaticContact CD2-CZ 3.88Å; Y1127-Y1154 VanDerWaalsContact CD2-OH 3.24Å; Y1127-Y1154 WeakPolarHBondContact CD2-OH 3.41Å; S1130-Y1154 WeakPolarHBondContact OG-CD1 3.49Å; F1150-Y1154 VanDerWaalsContact O-CB 3.23Å; F1150-Y1154 WeakPolarHBondContact O-CB 3.32Å; F1150-Y1154 PolarHBondContact O-N 3.07Å; I1151-Y1154 PolarHBondContact O-N 3.18Å |
| 1155 | K | 84.4 | Confident | 84.8 | Confident | 92 Ų | 92 | 57.3 Ų | 57.3 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.5 | -32.8 | 178.2 | -71.4 | -174.4 | -179.2 | -168.8 | 0 | 112.5 | S1130 N1134 I1151 | S1130-K1155 WeakPolarHBondContact OG-CE 3.5Å; N1134-K1155 PolarHBondContact OD1-NZ 3.07Å; I1151-K1155 HydrophobicContact CG2-CD 4.06Å; I1151-K1155 HydrophobicContact CG2-CG 4.33Å; I1151-K1155 WeakPolarHBondContact O-CB 3.33Å; I1151-K1155 WeakPolarHBondContact O-CG 3.42Å; I1151-K1155 PolarHBondContact O-N 3.34Å |
| 1156 | S | 83.6 | Confident | 86 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | trans | -68.5 | 143.1 | 174.4 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | N1152 L1153 Q1158 R1184 | N1152-S1156 WeakPolarHBondContact O-CB 3.45Å; N1152-S1156 PolarHBondContact O-N 2.93Å; N1152-S1156 PolarHBondContact O-OG 2.98Å; L1153-S1156 WeakPolarHBondContact CA-OG 3.33Å; L1153-S1156 PolarHBondContact O-N 3.36Å; L1153-S1156 VanDerWaalsContact O-O 3.07Å; L1153-S1156 PolarHBondContact O-OG 3.49Å; S1156-Q1158 VanDerWaalsContact C-N 3.32Å; S1156-Q1158 WeakPolarHBondContact OG-CG 3.39Å; S1156-Q1158 PolarHBondContact OG-NE2 3.2Å; S1156-R1184 PolarHBondContact O-NH1 3.29Å; S1156-R1184 VanDerWaalsContact O-NH1 3.09Å; S1156-R1184 PolarHBondContact O-NH2 2.73Å; S1156-R1184 PolarHBondContact OG-NH2 2.59Å | ||
| 1157 | K | 75.7 | Confident | 87 | Confident | 189 Ų | 189 | 52 Ų | 52 | 82% | 0.822 | 26% | 0.264 | S | S | * | . | trans | -94.9 | 16.8 | 171.9 | -65.2 | -172.1 | 178.3 | -175.4 | 0 | 112.9 | ||||
| 1158 | Q | 84.3 | Confident | 87.8 | Confident | 99 Ų | 99 | 51.4 Ų | 51.4 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -74.5 | 156.3 | -175.1 | 73.1 | -169.1 | -43.1 | 0 | 0 | 112.2 | S1156 R1184 | S1156-Q1158 VanDerWaalsContact C-N 3.32Å; S1156-Q1158 WeakPolarHBondContact OG-CG 3.39Å; S1156-Q1158 PolarHBondContact OG-NE2 3.2Å; Q1158-R1184 VanDerWaalsContact O-CZ 3.31Å; Q1158-R1184 PolarHBondContact O-NE 3.44Å; Q1158-R1184 PolarHBondContact O-NH2 2.9Å |
| 1159 | P | 86.8 | Confident | 88.7 | Confident | 80 Ų | 80 | 47.6 Ų | 47.6 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | trans | -56.2 | 137.1 | 168.3 | -23.1 | 33.8 | 0 | 0 | 0 | 111.6 | R1184 P1186 | P1159-R1184 WeakPolarHBondContact CA-O 3.36Å; P1159-P1186 HydrophobicContact CB-CG 4.07Å | ||
| 1160 | I | 86.3 | Confident | 89.4 | Confident | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -116.8 | -31.6 | -179 | -44.3 | 166 | 0 | 0 | 0 | 113.1 | L1103 L1121 F1122 P1162 R1184 | L1103-I1160 HydrophobicContact CB-CG2 3.58Å; L1103-I1160 HydrophobicContact CD1-CD1 4.25Å; L1103-I1160 HydrophobicContact CD1-CG2 4.03Å; L1103-I1160 HydrophobicContact CD2-CB 3.67Å; L1103-I1160 HydrophobicContact CD2-CD1 4.07Å; L1103-I1160 HydrophobicContact CD2-CG1 4.5Å; L1103-I1160 HydrophobicContact CD2-CG2 3.19Å; L1103-I1160 HydrophobicContact CG-CG2 3.72Å; L1121-I1160 HydrophobicContact CD2-CD1 4.06Å; F1122-I1160 HydrophobicContact CE2-CD1 3.63Å; F1122-I1160 HydrophobicContact CZ-CD1 3.43Å; F1122-I1160 VanDerWaalsContact CZ-CD1 3.43Å; I1160-P1162 VanDerWaalsContact C-CD 3.44Å; I1160-P1162 WeakPolarHBondContact O-CD 3.49Å; I1160-R1184 PolarHBondContact N-O 3.22Å |
| 1161 | Y | 90.4 | Very high | 90 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | trans | -110.4 | 77.2 | 174.4 | -74.5 | -61.6 | 0 | 0 | 0 | 110.3 | F1099 L1102 L1103 I1111 L1121 N1163 L1164 I1185 | F1099-Y1161 AromaticContact CD2-CE2 3.87Å; F1099-Y1161 HydrophobicContact CD2-CE2 3.87Å; F1099-Y1161 HydrophobicContact CE2-CD2 4.45Å; F1099-Y1161 AromaticContact CE2-CE2 3.71Å; F1099-Y1161 HydrophobicContact CE2-CE2 3.71Å; F1099-Y1161 PolarHBondContact O-OH 3.48Å; L1102-Y1161 HydrophobicContact CB-CE1 4.46Å; L1102-Y1161 WeakPolarHBondContact CB-OH 3.23Å; L1103-Y1161 HydrophobicContact CD2-CD1 4.49Å; L1103-Y1161 HydrophobicContact CD2-CD2 3.73Å; L1103-Y1161 HydrophobicContact CD2-CE1 3.98Å; L1103-Y1161 HydrophobicContact CD2-CE2 3.16Å; L1103-Y1161 HydrophobicContact CD2-CG 4.36Å; L1103-Y1161 WeakPolarHBondContact CD2-OH 3.49Å; L1103-Y1161 HydrophobicContact CG-CE2 4.27Å; L1103-Y1161 PolarHBondContact N-OH 2.88Å; I1111-Y1161 HydrophobicContact CD1-CE1 4.05Å; L1121-Y1161 HydrophobicContact CD1-CE2 3.87Å; Y1161-N1163 VanDerWaalsContact C-N 3.25Å; Y1161-N1163 PolarHBondContact O-N 2.87Å; Y1161-L1164 HydrophobicContact CD2-CD2 4.29Å; Y1161-L1164 HydrophobicContact CG-CB 4.4Å; Y1161-L1164 HydrophobicContact CG-CD2 4.16Å; Y1161-I1185 HydrophobicContact CD2-CD1 4.18Å; Y1161-I1185 HydrophobicContact CD2-CG1 4.21Å | ||
| 1162 | P | 88.6 | Confident | 90.6 | Very high | 48 Ų | 48 | 49 Ų | 49 | 31% | 0.312 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.5 | -171.1 | 28.8 | -36.9 | 0 | 0 | 0 | 113.7 | I1160 C1187 | I1160-P1162 VanDerWaalsContact C-CD 3.44Å; I1160-P1162 WeakPolarHBondContact O-CD 3.49Å; P1162-C1187 WeakPolarHBondContact O-CB 3.42Å; P1162-C1187 PolarHBondContact O-SG 2.91Å |
| 1163 | N | 92.7 | Very high | 90.9 | Very high | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 3.4 | -175.3 | -65 | -46.3 | 0 | 0 | 0 | 113.7 | K1106 L1108 Y1161 N1165 | K1106-N1163 PolarHBondContact O-ND2 3.29Å; L1108-N1163 CarbonylContact O-C 3.4Å; L1108-N1163 VanDerWaalsContact O-C 3.26Å; Y1161-N1163 VanDerWaalsContact C-N 3.25Å; Y1161-N1163 PolarHBondContact O-N 2.87Å; N1163-N1165 PolarHBondContact O-N 2.99Å; N1163-N1165 PolarHBondContact O-OD1 3.11Å; N1163-N1165 VanDerWaalsContact O-OD1 3.11Å |
| 1164 | L | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -72.5 | 119.5 | -176.9 | -174.1 | 70.9 | 0 | 0 | 0 | 109.7 | L1108 I1111 Y1161 L1167 I1185 C1187 L1188 | L1108-L1164 WeakPolarHBondContact O-CA 3.38Å; L1108-L1164 PolarHBondContact O-N 3.13Å; I1111-L1164 HydrophobicContact CB-CD1 4.13Å; I1111-L1164 HydrophobicContact CD1-CD1 3.71Å; I1111-L1164 HydrophobicContact CD1-CD2 3.96Å; I1111-L1164 HydrophobicContact CG1-CD1 3.63Å; Y1161-L1164 HydrophobicContact CD2-CD2 4.29Å; Y1161-L1164 HydrophobicContact CG-CB 4.4Å; Y1161-L1164 HydrophobicContact CG-CD2 4.16Å; L1164-L1167 HydrophobicContact CD2-CB 4.44Å; L1164-I1185 HydrophobicContact CB-CG2 3.88Å; L1164-I1185 HydrophobicContact CD2-CD1 4.3Å; L1164-I1185 HydrophobicContact CD2-CG2 3.78Å; L1164-I1185 HydrophobicContact CG-CG2 4.21Å; L1164-C1187 CarbonylContact O-C 3.49Å; L1164-L1188 HydrophobicContact CG-CD1 4.49Å; L1164-L1188 WeakPolarHBondContact O-CA 3.28Å; L1164-L1188 PolarHBondContact O-N 2.78Å | ||
| 1165 | N | 96.7 | Very high | 91.7 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | trans | -102.8 | -35.6 | -176.9 | -66.5 | 113.6 | 0 | 0 | 0 | 112.5 | K1109 N1163 C1187 Q1189 T1190 | K1109-N1165 PolarHBondContact O-N 3.39Å; N1163-N1165 PolarHBondContact O-N 2.99Å; N1163-N1165 PolarHBondContact O-OD1 3.11Å; N1163-N1165 VanDerWaalsContact O-OD1 3.11Å; N1165-C1187 PolarHBondContact ND2-O 3.34Å; N1165-Q1189 PolarHBondContact ND2-NE2 2.86Å; N1165-Q1189 PolarHBondContact O-N 3.02Å; N1165-T1190 PolarHBondContact O-N 3.21Å | ||
| 1166 | V | 98 | Very high | 92 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.5 | -175 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | K1109 I1110 I1111 H1168 T1190 F1192 | K1109-V1166 PolarHBondContact O-N 2.96Å; I1110-V1166 WeakPolarHBondContact CA-O 3.3Å; I1110-V1166 HydrophobicContact CG1-CB 4.19Å; I1110-V1166 HydrophobicContact CG1-CG2 4.35Å; I1110-V1166 HydrophobicContact CG2-CB 4.27Å; I1111-V1166 PolarHBondContact N-O 3Å; I1111-V1166 VanDerWaalsContact N-O 3.14Å; V1166-H1168 WeakPolarHBondContact CG1-NE2 3.36Å; V1166-T1190 WeakPolarHBondContact CA-O 3.5Å; V1166-F1192 HydrophobicContact CG1-CD2 4.42Å; V1166-F1192 HydrophobicContact CG1-CE2 4.09Å |
| 1167 | L | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.9 | 176.5 | -179.7 | 58.8 | 0 | 0 | 0 | 109.8 | F1099 I1111 L1113 L1164 L1169 L1182 I1185 L1188 T1190 L1191 F1192 | F1099-L1167 HydrophobicContact CZ-CD2 4.49Å; I1111-L1167 HydrophobicContact CB-CD1 4.01Å; I1111-L1167 HydrophobicContact CG2-CD1 3.98Å; L1113-L1167 HydrophobicContact CD1-CD1 4.29Å; L1164-L1167 HydrophobicContact CD2-CB 4.44Å; L1167-L1169 HydrophobicContact CD1-CG 4.25Å; L1167-L1169 HydrophobicContact CD2-CD1 3.73Å; L1167-L1169 HydrophobicContact CD2-CG 4.31Å; L1167-L1169 HydrophobicContact CG-CD1 3.92Å; L1167-L1169 HydrophobicContact CG-CG 3.97Å; L1167-L1182 HydrophobicContact CD2-CD2 4.05Å; L1167-I1185 HydrophobicContact CD2-CD1 4.22Å; L1167-L1188 HydrophobicContact CB-CD1 3.7Å; L1167-T1190 PolarHBondContact N-O 2.99Å; L1167-T1190 VanDerWaalsContact N-O 3.14Å; L1167-L1191 HydrophobicContact CB-CD1 4.23Å; L1167-L1191 HydrophobicContact CD2-CD1 4.23Å; L1167-L1191 HydrophobicContact CG-CD1 4.31Å; L1167-F1192 PolarHBondContact O-N 3.33Å; L1167-F1192 VanDerWaalsContact O-N 3.09Å |
| 1168 | H | 98 | Very high | 93.1 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 18% | 0.181 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.3 | 174.8 | -61 | -96.2 | 0 | 0 | 0 | 111.6 | I1111 L1113 N1114 V1166 F1192 | I1111-H1168 PolarHBondContact O-N 2.65Å; L1113-H1168 CarbonylContact C-O 3.33Å; L1113-H1168 WeakPolarHBondContact CA-O 3.22Å; L1113-H1168 WeakPolarHBondContact CB-O 3.18Å; L1113-H1168 PolarHBondContact N-O 3.26Å; N1114-H1168 WeakPolarHBondContact OD1-CB 3.21Å; V1166-H1168 WeakPolarHBondContact CG1-NE2 3.36Å; H1168-F1192 AromaticContact CE1-CD2 3.24Å; H1168-F1192 WeakPolarHBondContact CE1-CD2 3.25Å; H1168-F1192 AromaticContact CE1-CE2 3.17Å; H1168-F1192 WeakPolarHBondContact CE1-CE2 3.36Å; H1168-F1192 AromaticContact CE1-CZ 3.94Å; H1168-F1192 AromaticContact CG-CD2 3.81Å; H1168-F1192 AromaticContact ND1-CD2 3.11Å; H1168-F1192 WeakPolarHBondContact ND1-CD2 3.36Å; H1168-F1192 AromaticContact ND1-CE2 3.58Å; H1168-F1192 AromaticContact ND1-CG 3.56Å; H1168-F1192 AromaticContact NE2-CD2 3.97Å; H1168-F1192 AromaticContact NE2-CE2 3.85Å |
| 1169 | L | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -131.8 | 24.4 | -179 | -73.1 | 169.9 | 0 | 0 | 0 | 112 | L1113 I1118 L1167 N1172 I1174 L1180 L1191 F1192 L1193 N1196 | L1113-L1169 HydrophobicContact CB-CD2 4.1Å; L1113-L1169 HydrophobicContact CD1-CD2 4.11Å; I1118-L1169 HydrophobicContact CB-CD2 4.06Å; I1118-L1169 HydrophobicContact CG1-CD2 4.13Å; I1118-L1169 HydrophobicContact CG2-CD2 3.84Å; L1167-L1169 HydrophobicContact CD1-CG 4.25Å; L1167-L1169 HydrophobicContact CD2-CD1 3.73Å; L1167-L1169 HydrophobicContact CD2-CG 4.31Å; L1167-L1169 HydrophobicContact CG-CD1 3.92Å; L1167-L1169 HydrophobicContact CG-CG 3.97Å; L1169-N1172 PolarHBondContact O-ND2 2.89Å; L1169-I1174 HydrophobicContact CB-CD1 3.92Å; L1169-I1174 HydrophobicContact CD1-CD1 4.37Å; L1169-I1174 HydrophobicContact CD2-CD1 4.45Å; L1169-I1174 HydrophobicContact CG-CD1 4.49Å; L1169-L1180 HydrophobicContact CD1-CD1 3.92Å; L1169-L1191 HydrophobicContact CD1-CD1 4.42Å; L1169-F1192 CarbonylContact C-O 3.55Å; L1169-F1192 WeakPolarHBondContact CA-O 3.26Å; L1169-F1192 WeakPolarHBondContact CB-O 3.24Å; L1169-F1192 PolarHBondContact N-O 3.25Å; L1169-L1193 HydrophobicContact CB-CD2 3.94Å; L1169-L1193 HydrophobicContact CD1-CD2 4.2Å; L1169-N1196 PolarHBondContact O-ND2 3.15Å | ||
| 1170 | A | 96.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 148.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1114 E1115 N1172 Q1194 | N1114-A1170 VanDerWaalsContact CA-O 3.3Å; N1114-A1170 WeakPolarHBondContact CA-O 3.09Å; N1114-A1170 VanDerWaalsContact OD1-CB 3.25Å; N1114-A1170 WeakPolarHBondContact OD1-CB 3.46Å; N1114-A1170 PolarHBondContact OD1-N 3.27Å; E1115-A1170 PolarHBondContact N-O 3.09Å; E1115-A1170 VanDerWaalsContact N-O 3.11Å; A1170-N1172 PolarHBondContact O-N 3.35Å; A1170-N1172 PolarHBondContact O-ND2 3.46Å; A1170-Q1194 VanDerWaalsContact CA-O 3.25Å; A1170-Q1194 WeakPolarHBondContact CA-O 3.37Å; A1170-Q1194 HydrophobicContact CB-CG 3.86Å; A1170-Q1194 WeakPolarHBondContact CB-O 3.43Å |
| 1171 | Y | 96.5 | Very high | 93.9 | Very high | 123 Ų | 123 | 46 Ų | 46 | 48% | 0.482 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 46.3 | 175.5 | -55.1 | -87.6 | 0 | 0 | 0 | 114.7 | E1115 Q1194 N1195 | E1115-Y1171 WeakPolarHBondContact CA-O 3.31Å; E1115-Y1171 HydrophobicContact CG-CG 4.4Å; Y1171-Q1194 PolarHBondContact N-O 3.28Å; Y1171-N1195 WeakPolarHBondContact CA-O 3.42Å; Y1171-N1195 HydrophobicContact CD1-CB 3.55Å; Y1171-N1195 HydrophobicContact CD2-CB 4.36Å; Y1171-N1195 HydrophobicContact CE1-CB 3.39Å; Y1171-N1195 VanDerWaalsContact CE1-CG 3.45Å; Y1171-N1195 HydrophobicContact CE2-CB 4.22Å; Y1171-N1195 HydrophobicContact CG-CB 4.04Å; Y1171-N1195 VanDerWaalsContact CZ-CG 3.49Å; Y1171-N1195 VanDerWaalsContact CZ-ND2 3.27Å; Y1171-N1195 PolarHBondContact N-O 3.33Å; Y1171-N1195 PolarHBondContact OH-ND2 2.81Å; Y1171-N1195 VanDerWaalsContact OH-ND2 3.12Å |
| 1172 | N | 96 | Very high | 94 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -115.9 | 5.7 | 178.1 | -83.7 | -86.9 | 0 | 0 | 0 | 113.7 | L1113 N1116 N1117 I1118 L1169 A1170 I1174 N1196 | L1113-N1172 PolarHBondContact O-ND2 3.28Å; N1116-N1172 VanDerWaalsContact CA-OD1 3.31Å; N1116-N1172 WeakPolarHBondContact CA-OD1 3.49Å; N1116-N1172 WeakPolarHBondContact CB-OD1 3.48Å; N1116-N1172 PolarHBondContact N-OD1 3.16Å; N1116-N1172 PolarHBondContact O-OD1 3.14Å; N1117-N1172 PolarHBondContact N-OD1 3.45Å; I1118-N1172 HydrophobicContact CB-CB 4.28Å; I1118-N1172 VanDerWaalsContact CB-OD1 3.3Å; I1118-N1172 WeakPolarHBondContact CB-OD1 3.21Å; I1118-N1172 WeakPolarHBondContact CG1-OD1 3.3Å; I1118-N1172 PolarHBondContact N-OD1 3.18Å; L1169-N1172 PolarHBondContact O-ND2 2.89Å; A1170-N1172 PolarHBondContact O-N 3.35Å; A1170-N1172 PolarHBondContact O-ND2 3.46Å; N1172-I1174 HydrophobicContact CB-CD1 3.74Å; N1172-I1174 HydrophobicContact CB-CG1 3.69Å; N1172-I1174 PolarHBondContact O-N 3.11Å; N1172-N1196 WeakPolarHBondContact CA-OD1 3.48Å; N1172-N1196 PolarHBondContact N-OD1 2.62Å |
| 1173 | N | 92.4 | Very high | 94 | Very high | 107 Ų | 107 | 47.7 Ų | 47.7 | 57% | 0.572 | 23% | 0.229 | S | C | * | . | trans | 56 | 31.3 | -175.3 | -58.1 | -41.3 | 0 | 0 | 0 | 113.9 | Q1175 N1196 | N1173-Q1175 PolarHBondContact O-N 2.75Å; N1173-N1196 PolarHBondContact N-OD1 2.85Å | ||
| 1174 | I | 94.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | trans | -69.6 | 123.7 | -176.9 | -60.5 | 163.4 | 0 | 0 | 0 | 109.4 | I1118 L1169 N1172 S1176 L1177 L1180 L1193 N1196 E1197 L1198 | I1118-I1174 WeakPolarHBondContact O-CG1 3.38Å; L1169-I1174 HydrophobicContact CB-CD1 3.92Å; L1169-I1174 HydrophobicContact CD1-CD1 4.37Å; L1169-I1174 HydrophobicContact CD2-CD1 4.45Å; L1169-I1174 HydrophobicContact CG-CD1 4.49Å; N1172-I1174 HydrophobicContact CB-CD1 3.74Å; N1172-I1174 HydrophobicContact CB-CG1 3.69Å; N1172-I1174 PolarHBondContact O-N 3.11Å; I1174-S1176 WeakPolarHBondContact CG2-O 3.24Å; I1174-L1177 HydrophobicContact CG2-CD2 4.11Å; I1174-L1180 HydrophobicContact CD1-CD1 4.21Å; I1174-L1180 HydrophobicContact CG2-CD1 4.26Å; I1174-L1193 HydrophobicContact CD1-CD2 4.08Å; I1174-N1196 HydrophobicContact CB-CB 4.14Å; I1174-N1196 WeakPolarHBondContact CG1-OD1 3.43Å; I1174-N1196 PolarHBondContact N-OD1 3.46Å; I1174-E1197 CarbonylContact O-C 3.5Å; I1174-E1197 VanDerWaalsContact O-C 3.31Å; I1174-E1197 WeakPolarHBondContact O-CA 3.4Å; I1174-E1197 PolarHBondContact O-N 2.67Å; I1174-L1198 HydrophobicContact CG2-CD2 3.87Å; I1174-L1198 PolarHBondContact O-N 2.88Å | ||
| 1175 | Q | 91.7 | Very high | 93.7 | Very high | 133 Ų | 133 | 44.6 Ų | 44.6 | 62% | 0.621 | 21% | 0.213 | S | C | * | . | trans | -96.6 | -27.2 | 178.6 | -65.5 | 178.7 | -2.4 | 0 | 0 | 113.2 | N1173 E1197 Y1199 | N1173-Q1175 PolarHBondContact O-N 2.75Å; Q1175-E1197 HydrophobicContact CG-CB 3.87Å; Q1175-Y1199 WeakPolarHBondContact O-CD1 3.05Å; Q1175-Y1199 WeakPolarHBondContact O-CE1 3.19Å | ||
| 1176 | S | 90.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | trans | -149.3 | 145.6 | 179.8 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | I1174 E1178 | I1174-S1176 WeakPolarHBondContact CG2-O 3.24Å; S1176-E1178 PolarHBondContact OG-N 3.47Å | ||
| 1177 | L | 92.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -87.2 | -9.4 | -179.9 | -54.4 | 177.8 | 0 | 0 | 0 | 113.3 | I1174 K1179 L1180 L1182 L1193 L1198 I1201 I1204 | I1174-L1177 HydrophobicContact CG2-CD2 4.11Å; L1177-K1179 PolarHBondContact O-N 3.35Å; L1177-L1180 HydrophobicContact CD2-CD1 3.72Å; L1177-L1180 WeakPolarHBondContact O-CB 3.49Å; L1177-L1180 PolarHBondContact O-N 2.98Å; L1177-L1182 HydrophobicContact CB-CD1 4.3Å; L1177-L1182 HydrophobicContact CD1-CD1 4.26Å; L1177-L1193 HydrophobicContact CD1-CD1 3.84Å; L1177-L1193 HydrophobicContact CD2-CD1 3.67Å; L1177-L1193 HydrophobicContact CD2-CD2 3.72Å; L1177-L1193 HydrophobicContact CD2-CG 4.37Å; L1177-L1193 HydrophobicContact CG-CD1 4.42Å; L1177-L1198 HydrophobicContact CD2-CD1 4.08Å; L1177-L1198 HydrophobicContact CD2-CD2 3.81Å; L1177-L1198 HydrophobicContact CG-CD2 3.97Å; L1177-I1201 HydrophobicContact CD1-CB 4.39Å; L1177-I1204 HydrophobicContact CD1-CG2 3.71Å |
| 1178 | E | 89.7 | Confident | 93.1 | Very high | 142 Ų | 142 | 45.7 Ų | 45.7 | 66% | 0.664 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -56 | -47.3 | -173.6 | -172.5 | -173 | 170.1 | 0 | 0 | 112.4 | S1176 L1180 Q1181 | S1176-E1178 PolarHBondContact OG-N 3.47Å; E1178-L1180 PolarHBondContact O-N 2.84Å; E1178-Q1181 PolarHBondContact O-N 2.78Å |
| 1179 | K | 90.2 | Very high | 93 | Very high | 145 Ų | 145 | 46.5 Ų | 46.5 | 63% | 0.63 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -70.2 | -16.2 | -179.2 | -68 | -175 | 179.5 | 178.4 | 0 | 113.8 | E1119 S1120 L1121 L1177 Q1181 | E1119-K1179 WeakPolarHBondContact O-CB 3.42Å; S1120-K1179 WeakPolarHBondContact CA-O 3.33Å; L1121-K1179 PolarHBondContact N-O 3.4Å; L1177-K1179 PolarHBondContact O-N 3.35Å; K1179-Q1181 VanDerWaalsContact C-N 3.27Å |
| 1180 | L | 93.1 | Very high | 93 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -78.8 | -15 | 173.6 | -56.2 | 175.3 | 0 | 0 | 0 | 112 | F1099 I1118 L1121 L1169 I1174 L1177 E1178 L1182 | F1099-L1180 HydrophobicContact CE1-CD2 4.18Å; I1118-L1180 HydrophobicContact CG2-CD2 3.8Å; L1121-L1180 WeakPolarHBondContact CB-O 3.34Å; L1169-L1180 HydrophobicContact CD1-CD1 3.92Å; I1174-L1180 HydrophobicContact CD1-CD1 4.21Å; I1174-L1180 HydrophobicContact CG2-CD1 4.26Å; L1177-L1180 HydrophobicContact CD2-CD1 3.72Å; L1177-L1180 WeakPolarHBondContact O-CB 3.49Å; L1177-L1180 PolarHBondContact O-N 2.98Å; E1178-L1180 PolarHBondContact O-N 2.84Å; L1180-L1182 VanDerWaalsContact C-N 3.25Å; L1180-L1182 HydrophobicContact CB-CD2 3.98Å; L1180-L1182 HydrophobicContact CB-CG 4.03Å; L1180-L1182 PolarHBondContact O-N 3.39Å |
| 1181 | Q | 91.1 | Very high | 93.1 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 43.9 | 176 | -55.8 | -177 | 4.2 | 0 | 0 | 112.9 | L1121 E1178 K1179 H1183 R1184 | L1121-Q1181 HydrophobicContact CD2-CB 4.04Å; E1178-Q1181 PolarHBondContact O-N 2.78Å; K1179-Q1181 VanDerWaalsContact C-N 3.27Å; Q1181-H1183 PolarHBondContact O-N 3.14Å; Q1181-H1183 VanDerWaalsContact O-N 3.09Å; Q1181-R1184 HydrophobicContact CB-CG 4.26Å; Q1181-R1184 WeakPolarHBondContact O-CB 3.47Å; Q1181-R1184 WeakPolarHBondContact O-CG 3.47Å; Q1181-R1184 PolarHBondContact O-N 3.38Å; Q1181-R1184 VanDerWaalsContact OE1-CD 3.26Å; Q1181-R1184 VanDerWaalsContact OE1-NH1 3.11Å |
| 1182 | L | 92.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -58.7 | -27.5 | -172.1 | -62.8 | 178 | 0 | 0 | 0 | 113.5 | L1167 L1177 L1180 R1184 I1185 L1191 I1204 L1207 | L1167-L1182 HydrophobicContact CD2-CD2 4.05Å; L1177-L1182 HydrophobicContact CB-CD1 4.3Å; L1177-L1182 HydrophobicContact CD1-CD1 4.26Å; L1180-L1182 VanDerWaalsContact C-N 3.25Å; L1180-L1182 HydrophobicContact CB-CD2 3.98Å; L1180-L1182 HydrophobicContact CB-CG 4.03Å; L1180-L1182 PolarHBondContact O-N 3.39Å; L1182-R1184 PolarHBondContact O-N 3.45Å; L1182-I1185 HydrophobicContact CD2-CD1 3.97Å; L1182-I1185 WeakPolarHBondContact O-CA 3.45Å; L1182-I1185 WeakPolarHBondContact O-CB 3.35Å; L1182-I1185 PolarHBondContact O-N 2.93Å; L1182-L1191 HydrophobicContact CD1-CD2 3.75Å; L1182-I1204 HydrophobicContact CD1-CG2 4.27Å; L1182-L1207 HydrophobicContact CB-CD1 4.25Å; L1182-L1207 HydrophobicContact CB-CD2 4.32Å; L1182-L1207 VanDerWaalsContact O-CD2 3.29Å; L1182-L1207 WeakPolarHBondContact O-CD2 3.47Å |
| 1183 | H | 88.2 | Confident | 93.2 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -52.9 | -18.8 | 172.2 | 68.3 | -88.1 | 0 | 0 | 0 | 114.3 | Q1181 I1185 H1206 | Q1181-H1183 PolarHBondContact O-N 3.14Å; Q1181-H1183 VanDerWaalsContact O-N 3.09Å; H1183-I1185 VanDerWaalsContact C-N 3.28Å; H1183-H1206 HydrophobicContact CB-CB 4.2Å |
| 1184 | R | 90.5 | Very high | 93.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -87.6 | 5.8 | 176.9 | -52.4 | -177.5 | 69.2 | 172.1 | 4 | 113.4 | L1153 S1156 Q1158 P1159 I1160 Q1181 L1182 P1186 | L1153-R1184 PolarHBondContact O-NH1 3.16Å; L1153-R1184 PolarHBondContact O-NH2 2.9Å; S1156-R1184 PolarHBondContact O-NH1 3.29Å; S1156-R1184 VanDerWaalsContact O-NH1 3.09Å; S1156-R1184 PolarHBondContact O-NH2 2.73Å; S1156-R1184 PolarHBondContact OG-NH2 2.59Å; Q1158-R1184 VanDerWaalsContact O-CZ 3.31Å; Q1158-R1184 PolarHBondContact O-NE 3.44Å; Q1158-R1184 PolarHBondContact O-NH2 2.9Å; P1159-R1184 WeakPolarHBondContact CA-O 3.36Å; I1160-R1184 PolarHBondContact N-O 3.22Å; Q1181-R1184 HydrophobicContact CB-CG 4.26Å; Q1181-R1184 WeakPolarHBondContact O-CB 3.47Å; Q1181-R1184 WeakPolarHBondContact O-CG 3.47Å; Q1181-R1184 PolarHBondContact O-N 3.38Å; Q1181-R1184 VanDerWaalsContact OE1-CD 3.26Å; Q1181-R1184 VanDerWaalsContact OE1-NH1 3.11Å; L1182-R1184 PolarHBondContact O-N 3.45Å; R1184-P1186 VanDerWaalsContact C-CD 3.47Å; R1184-P1186 WeakPolarHBondContact O-CD 3.28Å |
| 1185 | I | 93.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -121.3 | 69.3 | -178.7 | -45.4 | -178.2 | 0 | 0 | 0 | 108.4 | Y1161 L1164 L1167 L1182 H1183 C1187 L1188 | Y1161-I1185 HydrophobicContact CD2-CD1 4.18Å; Y1161-I1185 HydrophobicContact CD2-CG1 4.21Å; L1164-I1185 HydrophobicContact CB-CG2 3.88Å; L1164-I1185 HydrophobicContact CD2-CD1 4.3Å; L1164-I1185 HydrophobicContact CD2-CG2 3.78Å; L1164-I1185 HydrophobicContact CG-CG2 4.21Å; L1167-I1185 HydrophobicContact CD2-CD1 4.22Å; L1182-I1185 HydrophobicContact CD2-CD1 3.97Å; L1182-I1185 WeakPolarHBondContact O-CA 3.45Å; L1182-I1185 WeakPolarHBondContact O-CB 3.35Å; L1182-I1185 PolarHBondContact O-N 2.93Å; H1183-I1185 VanDerWaalsContact C-N 3.28Å; I1185-C1187 VanDerWaalsContact C-N 3.32Å; I1185-C1187 PolarHBondContact O-N 3.32Å; I1185-L1188 HydrophobicContact CG2-CB 3.93Å; I1185-L1188 HydrophobicContact CG2-CD1 4.32Å; I1185-L1188 WeakPolarHBondContact O-CB 3.3Å; I1185-L1188 PolarHBondContact O-N 2.7Å | ||
| 1186 | P | 90 | Very high | 93.7 | Very high | 43 Ų | 43 | 35.8 Ų | 35.8 | 28% | 0.279 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -26.8 | -164.3 | 27.1 | -36.5 | 0 | 0 | 0 | 114.3 | P1159 R1184 L1188 | P1159-P1186 HydrophobicContact CB-CG 4.07Å; R1184-P1186 VanDerWaalsContact C-CD 3.47Å; R1184-P1186 WeakPolarHBondContact O-CD 3.28Å; P1186-L1188 VanDerWaalsContact C-N 3.33Å |
| 1187 | C | 93.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 11.5 | -176.4 | -68.4 | 0 | 0 | 0 | 0 | 113.8 | P1162 L1164 N1165 I1185 Q1189 | P1162-C1187 WeakPolarHBondContact O-CB 3.42Å; P1162-C1187 PolarHBondContact O-SG 2.91Å; L1164-C1187 CarbonylContact O-C 3.49Å; N1165-C1187 PolarHBondContact ND2-O 3.34Å; I1185-C1187 VanDerWaalsContact C-N 3.32Å; I1185-C1187 PolarHBondContact O-N 3.32Å; C1187-Q1189 WeakPolarHBondContact O-CG 3.35Å; C1187-Q1189 PolarHBondContact O-N 3.28Å |
| 1188 | L | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -67 | 119.4 | -178.2 | -168.2 | 66.6 | 0 | 0 | 0 | 110 | L1164 L1167 I1185 P1186 L1191 L1207 E1209 L1210 | L1164-L1188 HydrophobicContact CG-CD1 4.49Å; L1164-L1188 WeakPolarHBondContact O-CA 3.28Å; L1164-L1188 PolarHBondContact O-N 2.78Å; L1167-L1188 HydrophobicContact CB-CD1 3.7Å; I1185-L1188 HydrophobicContact CG2-CB 3.93Å; I1185-L1188 HydrophobicContact CG2-CD1 4.32Å; I1185-L1188 WeakPolarHBondContact O-CB 3.3Å; I1185-L1188 PolarHBondContact O-N 2.7Å; P1186-L1188 VanDerWaalsContact C-N 3.33Å; L1188-L1191 HydrophobicContact CD2-CB 4.13Å; L1188-L1191 HydrophobicContact CD2-CD1 4.22Å; L1188-L1191 HydrophobicContact CD2-CD2 4.29Å; L1188-L1191 HydrophobicContact CD2-CG 4.44Å; L1188-L1207 HydrophobicContact CB-CD2 4.42Å; L1188-L1207 HydrophobicContact CD2-CD1 4.1Å; L1188-E1209 CarbonylContact O-C 3.53Å; L1188-L1210 HydrophobicContact CG-CD1 4.49Å; L1188-L1210 WeakPolarHBondContact O-CA 3.23Å; L1188-L1210 PolarHBondContact O-N 2.88Å | ||
| 1189 | Q | 96.4 | Very high | 93.9 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | trans | -105.1 | -32.9 | -177.8 | -63.9 | -174.4 | 12.4 | 0 | 0 | 112.2 | N1165 C1187 E1209 K1211 E1212 | N1165-Q1189 PolarHBondContact ND2-NE2 2.86Å; N1165-Q1189 PolarHBondContact O-N 3.02Å; C1187-Q1189 WeakPolarHBondContact O-CG 3.35Å; C1187-Q1189 PolarHBondContact O-N 3.28Å; Q1189-E1209 WeakPolarHBondContact CA-O 3.44Å; Q1189-K1211 HydrophobicContact CB-CD 4.4Å; Q1189-K1211 PolarHBondContact O-N 3.21Å; Q1189-E1212 PolarHBondContact O-N 3.3Å | ||
| 1190 | T | 97.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 29.6 Ų | 29.6 | 14% | 0.135 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.2 | -179.4 | -55.4 | 0 | 0 | 0 | 0 | 110 | N1165 V1166 L1167 F1192 E1212 | N1165-T1190 PolarHBondContact O-N 3.21Å; V1166-T1190 WeakPolarHBondContact CA-O 3.5Å; L1167-T1190 PolarHBondContact N-O 2.99Å; L1167-T1190 VanDerWaalsContact N-O 3.14Å; T1190-F1192 HydrophobicContact CG2-CD2 3.85Å; T1190-F1192 HydrophobicContact CG2-CE1 4.46Å; T1190-F1192 HydrophobicContact CG2-CE2 3.2Å; T1190-F1192 HydrophobicContact CG2-CZ 3.55Å; T1190-E1212 WeakPolarHBondContact CA-O 3.27Å; T1190-E1212 HydrophobicContact CG2-CB 4.04Å; T1190-E1212 HydrophobicContact CG2-CG 4.06Å; T1190-E1212 WeakPolarHBondContact CG2-OE2 3.45Å |
| 1191 | L | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.6 | 179.6 | 178.2 | 57.5 | 0 | 0 | 0 | 110.7 | L1167 L1169 L1182 L1188 L1193 I1204 L1207 L1210 E1212 L1213 V1214 | L1167-L1191 HydrophobicContact CB-CD1 4.23Å; L1167-L1191 HydrophobicContact CD2-CD1 4.23Å; L1167-L1191 HydrophobicContact CG-CD1 4.31Å; L1169-L1191 HydrophobicContact CD1-CD1 4.42Å; L1182-L1191 HydrophobicContact CD1-CD2 3.75Å; L1188-L1191 HydrophobicContact CD2-CB 4.13Å; L1188-L1191 HydrophobicContact CD2-CD1 4.22Å; L1188-L1191 HydrophobicContact CD2-CD2 4.29Å; L1188-L1191 HydrophobicContact CD2-CG 4.44Å; L1191-L1193 HydrophobicContact CD1-CD1 4.32Å; L1191-L1193 HydrophobicContact CD1-CG 4.08Å; L1191-L1193 HydrophobicContact CD2-CD1 3.69Å; L1191-L1193 HydrophobicContact CD2-CG 4.34Å; L1191-L1193 HydrophobicContact CG-CD1 3.83Å; L1191-L1193 HydrophobicContact CG-CG 3.95Å; L1191-I1204 HydrophobicContact CD2-CG2 4.26Å; L1191-L1207 HydrophobicContact CD2-CD1 4.37Å; L1191-L1210 HydrophobicContact CB-CD1 3.9Å; L1191-E1212 PolarHBondContact N-O 3.5Å; L1191-E1212 VanDerWaalsContact N-O 3.08Å; L1191-L1213 HydrophobicContact CB-CD1 4.21Å; L1191-L1213 HydrophobicContact CD2-CD1 4.07Å; L1191-L1213 HydrophobicContact CG-CD1 4.22Å; L1191-V1214 PolarHBondContact O-N 2.88Å |
| 1192 | F | 97.7 | Very high | 93.2 | Very high | 38 Ų | 38 | 32 Ų | 32 | 17% | 0.167 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.5 | 177.7 | -65.4 | -84.8 | 0 | 0 | 0 | 110.5 | V1166 L1167 H1168 L1169 T1190 Q1194 V1214 | V1166-F1192 HydrophobicContact CG1-CD2 4.42Å; V1166-F1192 HydrophobicContact CG1-CE2 4.09Å; L1167-F1192 PolarHBondContact O-N 3.33Å; L1167-F1192 VanDerWaalsContact O-N 3.09Å; H1168-F1192 AromaticContact CE1-CD2 3.24Å; H1168-F1192 WeakPolarHBondContact CE1-CD2 3.25Å; H1168-F1192 AromaticContact CE1-CE2 3.17Å; H1168-F1192 WeakPolarHBondContact CE1-CE2 3.36Å; H1168-F1192 AromaticContact CE1-CZ 3.94Å; H1168-F1192 AromaticContact CG-CD2 3.81Å; H1168-F1192 AromaticContact ND1-CD2 3.11Å; H1168-F1192 WeakPolarHBondContact ND1-CD2 3.36Å; H1168-F1192 AromaticContact ND1-CE2 3.58Å; H1168-F1192 AromaticContact ND1-CG 3.56Å; H1168-F1192 AromaticContact NE2-CD2 3.97Å; H1168-F1192 AromaticContact NE2-CE2 3.85Å; L1169-F1192 CarbonylContact C-O 3.55Å; L1169-F1192 WeakPolarHBondContact CA-O 3.26Å; L1169-F1192 WeakPolarHBondContact CB-O 3.24Å; L1169-F1192 PolarHBondContact N-O 3.25Å; T1190-F1192 HydrophobicContact CG2-CD2 3.85Å; T1190-F1192 HydrophobicContact CG2-CE1 4.46Å; T1190-F1192 HydrophobicContact CG2-CE2 3.2Å; T1190-F1192 HydrophobicContact CG2-CZ 3.55Å; F1192-Q1194 VanDerWaalsContact CB-OE1 3.3Å; F1192-V1214 HydrophobicContact CD1-CB 3.82Å; F1192-V1214 HydrophobicContact CD1-CG1 4.26Å; F1192-V1214 HydrophobicContact CD1-CG2 3.73Å; F1192-V1214 HydrophobicContact CE1-CB 4.36Å; F1192-V1214 HydrophobicContact CE1-CG2 3.75Å |
| 1193 | L | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -132.4 | 13.9 | -176.4 | -76.3 | 168.9 | 0 | 0 | 0 | 112.2 | L1169 I1174 L1177 L1191 N1196 L1198 L1213 V1214 V1215 N1218 | L1169-L1193 HydrophobicContact CB-CD2 3.94Å; L1169-L1193 HydrophobicContact CD1-CD2 4.2Å; I1174-L1193 HydrophobicContact CD1-CD2 4.08Å; L1177-L1193 HydrophobicContact CD1-CD1 3.84Å; L1177-L1193 HydrophobicContact CD2-CD1 3.67Å; L1177-L1193 HydrophobicContact CD2-CD2 3.72Å; L1177-L1193 HydrophobicContact CD2-CG 4.37Å; L1177-L1193 HydrophobicContact CG-CD1 4.42Å; L1191-L1193 HydrophobicContact CD1-CD1 4.32Å; L1191-L1193 HydrophobicContact CD1-CG 4.08Å; L1191-L1193 HydrophobicContact CD2-CD1 3.69Å; L1191-L1193 HydrophobicContact CD2-CG 4.34Å; L1191-L1193 HydrophobicContact CG-CD1 3.83Å; L1191-L1193 HydrophobicContact CG-CG 3.95Å; L1193-N1196 PolarHBondContact O-ND2 2.89Å; L1193-L1198 HydrophobicContact CB-CD1 4.1Å; L1193-L1198 HydrophobicContact CD1-CD1 4.09Å; L1193-L1198 HydrophobicContact CD2-CD1 4.41Å; L1193-L1198 HydrophobicContact CG-CD1 4.45Å; L1193-L1213 HydrophobicContact CD1-CD1 4.46Å; L1193-V1214 CarbonylContact C-O 3.57Å; L1193-V1214 WeakPolarHBondContact CA-O 3.34Å; L1193-V1214 WeakPolarHBondContact CB-O 3.44Å; L1193-V1214 PolarHBondContact N-O 3.38Å; L1193-V1215 HydrophobicContact CB-CG1 3.82Å; L1193-V1215 HydrophobicContact CD1-CG1 4.02Å; L1193-N1218 PolarHBondContact O-ND2 2.98Å | ||
| 1194 | Q | 96.4 | Very high | 93 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | trans | -61.4 | 150 | 179.4 | 66.9 | -82 | 22.4 | 0 | 0 | 112.5 | A1170 Y1171 F1192 V1214 D1216 | A1170-Q1194 VanDerWaalsContact CA-O 3.25Å; A1170-Q1194 WeakPolarHBondContact CA-O 3.37Å; A1170-Q1194 HydrophobicContact CB-CG 3.86Å; A1170-Q1194 WeakPolarHBondContact CB-O 3.43Å; Y1171-Q1194 PolarHBondContact N-O 3.28Å; F1192-Q1194 VanDerWaalsContact CB-OE1 3.3Å; Q1194-V1214 HydrophobicContact CB-CG1 4.13Å; Q1194-V1214 HydrophobicContact CG-CG1 4.48Å; Q1194-V1214 PolarHBondContact N-O 2.82Å; Q1194-D1216 WeakPolarHBondContact CA-O 3.25Å; Q1194-D1216 HydrophobicContact CB-CB 4.24Å | ||
| 1195 | N | 96.9 | Very high | 92.8 | Very high | 48 Ų | 48 | 29 Ų | 29 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 56.8 | 50.5 | 180 | -57.9 | -84.3 | 0 | 0 | 0 | 112.3 | Y1171 D1216 | Y1171-N1195 WeakPolarHBondContact CA-O 3.42Å; Y1171-N1195 HydrophobicContact CD1-CB 3.55Å; Y1171-N1195 HydrophobicContact CD2-CB 4.36Å; Y1171-N1195 HydrophobicContact CE1-CB 3.39Å; Y1171-N1195 VanDerWaalsContact CE1-CG 3.45Å; Y1171-N1195 HydrophobicContact CE2-CB 4.22Å; Y1171-N1195 HydrophobicContact CG-CB 4.04Å; Y1171-N1195 VanDerWaalsContact CZ-CG 3.49Å; Y1171-N1195 VanDerWaalsContact CZ-ND2 3.27Å; Y1171-N1195 PolarHBondContact N-O 3.33Å; Y1171-N1195 PolarHBondContact OH-ND2 2.81Å; Y1171-N1195 VanDerWaalsContact OH-ND2 3.12Å; N1195-D1216 PolarHBondContact N-O 3.42Å |
| 1196 | N | 96.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -118.1 | -167.1 | 168 | -79.1 | -68 | 0 | 0 | 0 | 108.7 | L1169 N1172 N1173 I1174 L1193 L1198 N1218 | L1169-N1196 PolarHBondContact O-ND2 3.15Å; N1172-N1196 WeakPolarHBondContact CA-OD1 3.48Å; N1172-N1196 PolarHBondContact N-OD1 2.62Å; N1173-N1196 PolarHBondContact N-OD1 2.85Å; I1174-N1196 HydrophobicContact CB-CB 4.14Å; I1174-N1196 WeakPolarHBondContact CG1-OD1 3.43Å; I1174-N1196 PolarHBondContact N-OD1 3.46Å; L1193-N1196 PolarHBondContact O-ND2 2.89Å; N1196-L1198 HydrophobicContact CB-CG 4.28Å; N1196-N1218 WeakPolarHBondContact CA-OD1 3.35Å; N1196-N1218 VanDerWaalsContact CB-OD1 3.31Å; N1196-N1218 WeakPolarHBondContact CB-OD1 3.22Å; N1196-N1218 PolarHBondContact O-OD1 3.19Å; N1196-N1218 VanDerWaalsContact O-OD1 3.13Å |
| 1197 | E | 93.9 | Very high | 92.3 | Very high | 66 Ų | 66 | 32.3 Ų | 32.3 | 31% | 0.308 | 16% | 0.159 | S | C | . | . | trans | -115.8 | 27.3 | -174.4 | -66.5 | -65.9 | 161.7 | 0 | 0 | 111.5 | I1174 Q1175 Y1199 N1218 K1219 | I1174-E1197 CarbonylContact O-C 3.5Å; I1174-E1197 VanDerWaalsContact O-C 3.31Å; I1174-E1197 WeakPolarHBondContact O-CA 3.4Å; I1174-E1197 PolarHBondContact O-N 2.67Å; Q1175-E1197 HydrophobicContact CG-CB 3.87Å; E1197-Y1199 PolarHBondContact O-N 3.19Å; E1197-N1218 PolarHBondContact N-OD1 2.88Å; E1197-K1219 WeakPolarHBondContact OE2-CE 3.22Å; E1197-K1219 IonicContact OE2-NZ 3.34Å; E1197-K1219 PolarHBondContact OE2-NZ 2.87Å | ||
| 1198 | L | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -69.6 | 124.5 | -173.3 | -63.2 | 170 | 0 | 0 | 0 | 111.1 | I1174 L1177 L1193 N1196 N1218 K1219 I1220 | I1174-L1198 HydrophobicContact CG2-CD2 3.87Å; I1174-L1198 PolarHBondContact O-N 2.88Å; L1177-L1198 HydrophobicContact CD2-CD1 4.08Å; L1177-L1198 HydrophobicContact CD2-CD2 3.81Å; L1177-L1198 HydrophobicContact CG-CD2 3.97Å; L1193-L1198 HydrophobicContact CB-CD1 4.1Å; L1193-L1198 HydrophobicContact CD1-CD1 4.09Å; L1193-L1198 HydrophobicContact CD2-CD1 4.41Å; L1193-L1198 HydrophobicContact CG-CD1 4.45Å; N1196-L1198 HydrophobicContact CB-CG 4.28Å; L1198-N1218 HydrophobicContact CB-CB 4.12Å; L1198-N1218 VanDerWaalsContact CB-OD1 3.25Å; L1198-N1218 WeakPolarHBondContact CB-OD1 3.28Å; L1198-N1218 WeakPolarHBondContact CG-OD1 3.49Å; L1198-N1218 PolarHBondContact N-OD1 2.95Å; L1198-K1219 CarbonylContact O-C 3.52Å; L1198-K1219 VanDerWaalsContact O-C 3.24Å; L1198-K1219 VanDerWaalsContact O-CA 3.26Å; L1198-K1219 WeakPolarHBondContact O-CA 3.15Å; L1198-K1219 PolarHBondContact O-N 3.17Å; L1198-I1220 HydrophobicContact CB-CG1 4.46Å; L1198-I1220 PolarHBondContact O-N 3.4Å | ||
| 1199 | Y | 90.1 | Very high | 91.9 | Very high | 116 Ų | 116 | 35.9 Ų | 35.9 | 46% | 0.455 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -95.7 | -12.6 | 170.8 | 56.5 | -89.3 | 0 | 0 | 0 | 113 | Q1175 E1197 I1220 K1221 | Q1175-Y1199 WeakPolarHBondContact O-CD1 3.05Å; Q1175-Y1199 WeakPolarHBondContact O-CE1 3.19Å; E1197-Y1199 PolarHBondContact O-N 3.19Å; Y1199-I1220 WeakPolarHBondContact O-CA 3.35Å; Y1199-K1221 PolarHBondContact O-N 3.21Å |
| 1200 | T | 87.5 | Confident | 91.9 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | trans | -152.2 | 160.9 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | H1202 | T1200-H1202 HydrophobicContact CG2-CB 4.06Å; T1200-H1202 PolarHBondContact OG1-N 3.05Å | ||
| 1201 | I | 88.4 | Confident | 91.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -109 | 21.1 | 175.1 | 58.5 | -178.5 | 0 | 0 | 0 | 111.8 | L1177 G1203 I1204 L1213 V1215 I1220 L1223 T1227 F1228 | L1177-I1201 HydrophobicContact CD1-CB 4.39Å; I1201-G1203 PolarHBondContact O-N 3.07Å; I1201-I1204 HydrophobicContact CB-CD1 4.24Å; I1201-I1204 HydrophobicContact CD1-CD1 3.72Å; I1201-I1204 HydrophobicContact CG1-CD1 4.04Å; I1201-I1204 WeakPolarHBondContact O-CG1 3.27Å; I1201-I1204 PolarHBondContact O-N 3.43Å; I1201-L1213 HydrophobicContact CD1-CD2 4.19Å; I1201-V1215 HydrophobicContact CG2-CG1 4.05Å; I1201-I1220 HydrophobicContact CG2-CD1 3.47Å; I1201-I1220 VanDerWaalsContact CG2-CD1 3.47Å; I1201-I1220 HydrophobicContact CG2-CG1 4.24Å; I1201-L1223 HydrophobicContact CD1-CD2 3.55Å; I1201-L1223 HydrophobicContact CG1-CD2 3.54Å; I1201-T1227 HydrophobicContact CD1-CG2 3.83Å; I1201-T1227 HydrophobicContact CG1-CG2 3.64Å; I1201-F1228 HydrophobicContact CD1-CE1 4.01Å; I1201-F1228 HydrophobicContact CD1-CZ 3.68Å | ||
| 1202 | H | 84.5 | Confident | 91.7 | Very high | 88 Ų | 88 | 38.7 Ų | 38.7 | 41% | 0.407 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 127 | 174.5 | -172.6 | 53.9 | 0 | 0 | 0 | 111 | T1200 E1205 | T1200-H1202 HydrophobicContact CG2-CB 4.06Å; T1200-H1202 PolarHBondContact OG1-N 3.05Å; H1202-E1205 VanDerWaalsContact CA-OE1 3.28Å; H1202-E1205 WeakPolarHBondContact CA-OE1 3.28Å; H1202-E1205 IonicContact CE1-OE1 3.27Å; H1202-E1205 PolarHBondContact CE1-OE1 3.17Å; H1202-E1205 IonicContact CG-OE1 3.98Å; H1202-E1205 IonicContact ND1-OE1 2.95Å; H1202-E1205 PolarHBondContact ND1-OE1 3.2Å; H1202-E1205 IonicContact ND1-OE2 3.57Å |
| 1203 | G | 84.8 | Confident | 91.6 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 122.4 | -11.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1201 E1205 | I1201-G1203 PolarHBondContact O-N 3.07Å; G1203-E1205 WeakPolarHBondContact CA-OE2 3.1Å; G1203-E1205 VanDerWaalsContact N-CD 3.35Å; G1203-E1205 PolarHBondContact N-OE1 3.33Å; G1203-E1205 VanDerWaalsContact N-OE1 3.15Å; G1203-E1205 PolarHBondContact N-OE2 3.45Å |
| 1204 | I | 91 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -92.5 | -5.1 | 176.5 | 69.6 | 173.8 | 0 | 0 | 0 | 113.9 | L1177 L1182 L1191 I1201 H1206 L1207 L1213 T1227 F1228 N1231 | L1177-I1204 HydrophobicContact CD1-CG2 3.71Å; L1182-I1204 HydrophobicContact CD1-CG2 4.27Å; L1191-I1204 HydrophobicContact CD2-CG2 4.26Å; I1201-I1204 HydrophobicContact CB-CD1 4.24Å; I1201-I1204 HydrophobicContact CD1-CD1 3.72Å; I1201-I1204 HydrophobicContact CG1-CD1 4.04Å; I1201-I1204 WeakPolarHBondContact O-CG1 3.27Å; I1201-I1204 PolarHBondContact O-N 3.43Å; I1204-H1206 PolarHBondContact O-N 2.87Å; I1204-L1207 HydrophobicContact CB-CD1 3.97Å; I1204-L1207 HydrophobicContact CG2-CD1 4.08Å; I1204-L1207 WeakPolarHBondContact O-CB 3.33Å; I1204-L1207 PolarHBondContact O-N 2.89Å; I1204-L1213 HydrophobicContact CD1-CD2 3.66Å; I1204-T1227 HydrophobicContact CD1-CG2 4.36Å; I1204-T1227 HydrophobicContact CG1-CG2 4.4Å; I1204-F1228 HydrophobicContact CD1-CD1 4.27Å; I1204-F1228 HydrophobicContact CD1-CE1 3.74Å; I1204-N1231 PolarHBondContact O-ND2 3.33Å; I1204-N1231 PolarHBondContact O-OD1 2.92Å | ||
| 1205 | E | 87.4 | Confident | 91.6 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -33.5 | -167.2 | -64.7 | 73.3 | -164.9 | 0 | 0 | 112.6 | H1202 G1203 I1226 T1227 Y1230 | H1202-E1205 VanDerWaalsContact CA-OE1 3.28Å; H1202-E1205 WeakPolarHBondContact CA-OE1 3.28Å; H1202-E1205 IonicContact CE1-OE1 3.27Å; H1202-E1205 PolarHBondContact CE1-OE1 3.17Å; H1202-E1205 IonicContact CG-OE1 3.98Å; H1202-E1205 IonicContact ND1-OE1 2.95Å; H1202-E1205 PolarHBondContact ND1-OE1 3.2Å; H1202-E1205 IonicContact ND1-OE2 3.57Å; G1203-E1205 WeakPolarHBondContact CA-OE2 3.1Å; G1203-E1205 VanDerWaalsContact N-CD 3.35Å; G1203-E1205 PolarHBondContact N-OE1 3.33Å; G1203-E1205 VanDerWaalsContact N-OE1 3.15Å; G1203-E1205 PolarHBondContact N-OE2 3.45Å; E1205-I1226 WeakPolarHBondContact CG-O 3.4Å; E1205-T1227 WeakPolarHBondContact CA-O 3.42Å; E1205-Y1230 VanDerWaalsContact O-CB 3.29Å; E1205-Y1230 WeakPolarHBondContact O-CB 3.45Å |
| 1206 | H | 83 | Confident | 91.6 | Very high | 113 Ų | 113 | 34.1 Ų | 34.1 | 52% | 0.523 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.8 | -174.8 | -58 | -55 | 0 | 0 | 0 | 113.8 | H1183 I1204 T1208 Y1230 | H1183-H1206 HydrophobicContact CB-CB 4.2Å; I1204-H1206 PolarHBondContact O-N 2.87Å; H1206-T1208 VanDerWaalsContact C-N 3.29Å; H1206-T1208 PolarHBondContact O-N 2.9Å; H1206-Y1230 AromaticContact ND1-CD2 3.99Å |
| 1207 | L | 90.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -80.3 | 75.5 | 177.8 | -61.2 | 179.2 | 0 | 0 | 0 | 110.7 | L1182 L1188 L1191 I1204 E1209 L1210 N1231 | L1182-L1207 HydrophobicContact CB-CD1 4.25Å; L1182-L1207 HydrophobicContact CB-CD2 4.32Å; L1182-L1207 VanDerWaalsContact O-CD2 3.29Å; L1182-L1207 WeakPolarHBondContact O-CD2 3.47Å; L1188-L1207 HydrophobicContact CB-CD2 4.42Å; L1188-L1207 HydrophobicContact CD2-CD1 4.1Å; L1191-L1207 HydrophobicContact CD2-CD1 4.37Å; I1204-L1207 HydrophobicContact CB-CD1 3.97Å; I1204-L1207 HydrophobicContact CG2-CD1 4.08Å; I1204-L1207 WeakPolarHBondContact O-CB 3.33Å; I1204-L1207 PolarHBondContact O-N 2.89Å; L1207-E1209 PolarHBondContact O-N 3.31Å; L1207-L1210 HydrophobicContact CB-CB 3.94Å; L1207-L1210 HydrophobicContact CB-CD2 4.4Å; L1207-L1210 HydrophobicContact CD1-CD2 4.22Å; L1207-L1210 VanDerWaalsContact O-CB 3.3Å; L1207-L1210 WeakPolarHBondContact O-CB 3.3Å; L1207-L1210 PolarHBondContact O-N 3.47Å; L1207-N1231 PolarHBondContact O-ND2 3Å | ||
| 1208 | T | 88.3 | Confident | 91.6 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 30% | 0.301 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.3 | -172.1 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | H1206 Y1230 T1233 | H1206-T1208 VanDerWaalsContact C-N 3.29Å; H1206-T1208 PolarHBondContact O-N 2.9Å; T1208-Y1230 WeakPolarHBondContact CA-O 3.49Å; T1208-T1233 WeakPolarHBondContact O-CB 3.25Å; T1208-T1233 WeakPolarHBondContact O-CG2 3.45Å; T1208-T1233 PolarHBondContact O-OG1 3.03Å |
| 1209 | E | 92.6 | Very high | 91.6 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 1 | 179.8 | -63.2 | -59.8 | 137.8 | 0 | 0 | 113.7 | L1188 Q1189 L1207 K1211 T1233 | L1188-E1209 CarbonylContact O-C 3.53Å; Q1189-E1209 WeakPolarHBondContact CA-O 3.44Å; L1207-E1209 PolarHBondContact O-N 3.31Å; E1209-K1211 PolarHBondContact O-N 2.93Å; E1209-T1233 VanDerWaalsContact C-OG1 3.23Å |
| 1210 | L | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -68.7 | 116.6 | -175.5 | -168.8 | 70.1 | 0 | 0 | 0 | 110.9 | L1188 L1191 L1207 L1213 T1233 L1234 | L1188-L1210 HydrophobicContact CG-CD1 4.49Å; L1188-L1210 WeakPolarHBondContact O-CA 3.23Å; L1188-L1210 PolarHBondContact O-N 2.88Å; L1191-L1210 HydrophobicContact CB-CD1 3.9Å; L1207-L1210 HydrophobicContact CB-CB 3.94Å; L1207-L1210 HydrophobicContact CB-CD2 4.4Å; L1207-L1210 HydrophobicContact CD1-CD2 4.22Å; L1207-L1210 VanDerWaalsContact O-CB 3.3Å; L1207-L1210 WeakPolarHBondContact O-CB 3.3Å; L1207-L1210 PolarHBondContact O-N 3.47Å; L1210-L1213 HydrophobicContact CD2-CB 4.26Å; L1210-L1213 HydrophobicContact CD2-CD1 4.42Å; L1210-T1233 PolarHBondContact N-OG1 3.28Å; L1210-T1233 CarbonylContact O-C 3.5Å; L1210-T1233 VanDerWaalsContact O-C 3.31Å; L1210-T1233 PolarHBondContact O-OG1 3.3Å; L1210-L1234 HydrophobicContact CB-CD1 4.18Å; L1210-L1234 HydrophobicContact CD2-CD1 3.81Å; L1210-L1234 HydrophobicContact CG-CD1 3.67Å; L1210-L1234 WeakPolarHBondContact O-CA 3.46Å; L1210-L1234 VanDerWaalsContact O-CD1 3.32Å; L1210-L1234 WeakPolarHBondContact O-CD1 3.48Å; L1210-L1234 PolarHBondContact O-N 2.86Å; L1210-L1234 VanDerWaalsContact O-N 3.07Å | ||
| 1211 | K | 94.9 | Very high | 91.8 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | trans | -101.9 | -32 | -178.9 | -67.5 | 173.1 | -171.9 | 167.2 | 0 | 112.6 | Q1189 E1209 N1235 E1236 | Q1189-K1211 HydrophobicContact CB-CD 4.4Å; Q1189-K1211 PolarHBondContact O-N 3.21Å; E1209-K1211 PolarHBondContact O-N 2.93Å; K1211-N1235 PolarHBondContact O-N 3.1Å; K1211-E1236 PolarHBondContact O-N 2.83Å; K1211-E1236 VanDerWaalsContact O-N 3.1Å | ||
| 1212 | E | 96.8 | Very high | 91.5 | Very high | 56 Ų | 56 | 45 Ų | 45 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 125.9 | -174.2 | -178.1 | 179.5 | -169.7 | 0 | 0 | 110.2 | Q1189 T1190 L1191 V1214 E1236 | Q1189-E1212 PolarHBondContact O-N 3.3Å; T1190-E1212 WeakPolarHBondContact CA-O 3.27Å; T1190-E1212 HydrophobicContact CG2-CB 4.04Å; T1190-E1212 HydrophobicContact CG2-CG 4.06Å; T1190-E1212 WeakPolarHBondContact CG2-OE2 3.45Å; L1191-E1212 PolarHBondContact N-O 3.5Å; L1191-E1212 VanDerWaalsContact N-O 3.08Å; E1212-V1214 HydrophobicContact CG-CG2 4.3Å; E1212-E1236 WeakPolarHBondContact CA-O 3.37Å |
| 1213 | L | 96.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.5 | 177.2 | 178.3 | 64.3 | 0 | 0 | 0 | 109.6 | L1191 L1193 I1201 I1204 L1210 V1215 F1228 L1234 E1236 I1237 H1238 | L1191-L1213 HydrophobicContact CB-CD1 4.21Å; L1191-L1213 HydrophobicContact CD2-CD1 4.07Å; L1191-L1213 HydrophobicContact CG-CD1 4.22Å; L1193-L1213 HydrophobicContact CD1-CD1 4.46Å; I1201-L1213 HydrophobicContact CD1-CD2 4.19Å; I1204-L1213 HydrophobicContact CD1-CD2 3.66Å; L1210-L1213 HydrophobicContact CD2-CB 4.26Å; L1210-L1213 HydrophobicContact CD2-CD1 4.42Å; L1213-V1215 HydrophobicContact CD1-CG1 3.76Å; L1213-V1215 HydrophobicContact CD2-CG1 4.38Å; L1213-V1215 HydrophobicContact CG-CG1 3.95Å; L1213-V1215 HydrophobicContact CG-CG2 4.39Å; L1213-F1228 HydrophobicContact CD2-CE1 4.3Å; L1213-L1234 HydrophobicContact CB-CD1 4.09Å; L1213-E1236 PolarHBondContact N-O 3.08Å; L1213-I1237 WeakPolarHBondContact O-CA 3.23Å; L1213-H1238 PolarHBondContact O-N 2.63Å |
| 1214 | V | 97.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110.3 | 177.8 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | L1191 F1192 L1193 Q1194 E1212 D1216 H1238 | L1191-V1214 PolarHBondContact O-N 2.88Å; F1192-V1214 HydrophobicContact CD1-CB 3.82Å; F1192-V1214 HydrophobicContact CD1-CG1 4.26Å; F1192-V1214 HydrophobicContact CD1-CG2 3.73Å; F1192-V1214 HydrophobicContact CE1-CB 4.36Å; F1192-V1214 HydrophobicContact CE1-CG2 3.75Å; L1193-V1214 CarbonylContact C-O 3.57Å; L1193-V1214 WeakPolarHBondContact CA-O 3.34Å; L1193-V1214 WeakPolarHBondContact CB-O 3.44Å; L1193-V1214 PolarHBondContact N-O 3.38Å; Q1194-V1214 HydrophobicContact CB-CG1 4.13Å; Q1194-V1214 HydrophobicContact CG-CG1 4.48Å; Q1194-V1214 PolarHBondContact N-O 2.82Å; E1212-V1214 HydrophobicContact CG-CG2 4.3Å; V1214-D1216 WeakPolarHBondContact CG1-OD2 3.42Å; V1214-H1238 HydrophobicContact CG1-CB 4.19Å; V1214-H1238 HydrophobicContact CG2-CB 4.47Å |
| 1215 | V | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -131.5 | 27.5 | -176.6 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | L1193 I1201 L1213 N1218 I1220 H1238 L1239 N1242 | L1193-V1215 HydrophobicContact CB-CG1 3.82Å; L1193-V1215 HydrophobicContact CD1-CG1 4.02Å; I1201-V1215 HydrophobicContact CG2-CG1 4.05Å; L1213-V1215 HydrophobicContact CD1-CG1 3.76Å; L1213-V1215 HydrophobicContact CD2-CG1 4.38Å; L1213-V1215 HydrophobicContact CG-CG1 3.95Å; L1213-V1215 HydrophobicContact CG-CG2 4.39Å; V1215-N1218 PolarHBondContact O-ND2 3.39Å; V1215-I1220 HydrophobicContact CB-CD1 4.06Å; V1215-I1220 HydrophobicContact CG2-CD1 4.04Å; V1215-H1238 WeakPolarHBondContact CG2-O 3.43Å; V1215-H1238 PolarHBondContact N-O 3.04Å; V1215-L1239 HydrophobicContact CG2-CD2 3.36Å; V1215-L1239 HydrophobicContact CG2-CG 3.67Å; V1215-N1242 PolarHBondContact O-ND2 2.83Å; V1215-N1242 VanDerWaalsContact O-ND2 3.12Å | ||
| 1216 | D | 95.8 | Very high | 89.7 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | trans | -60.6 | 153.2 | 178.9 | -53.8 | -42.8 | 0 | 0 | 0 | 112.3 | Q1194 N1195 V1214 N1218 H1238 L1239 E1240 | Q1194-D1216 WeakPolarHBondContact CA-O 3.25Å; Q1194-D1216 HydrophobicContact CB-CB 4.24Å; N1195-D1216 PolarHBondContact N-O 3.42Å; V1214-D1216 WeakPolarHBondContact CG1-OD2 3.42Å; D1216-N1218 PolarHBondContact O-N 3.24Å; D1216-N1218 PolarHBondContact O-ND2 3.49Å; D1216-H1238 WeakPolarHBondContact OD1-CB 3.46Å; D1216-H1238 WeakPolarHBondContact OD2-CB 3.22Å; D1216-L1239 PolarHBondContact OD1-N 3.5Å; D1216-E1240 WeakPolarHBondContact CA-O 3.27Å; D1216-E1240 HydrophobicContact CB-CB 4.42Å; D1216-E1240 WeakPolarHBondContact OD1-CB 3.37Å; D1216-E1240 PolarHBondContact OD1-N 2.99Å | ||
| 1217 | N | 95.4 | Very high | 89.6 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 34% | 0.342 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 55.1 | 51.7 | 176.8 | -56.2 | -64.7 | 0 | 0 | 0 | 111.9 | E1240 N1241 | N1217-E1240 PolarHBondContact N-O 3.48Å; N1217-N1241 PolarHBondContact OD1-ND2 2.89Å |
| 1218 | N | 95.8 | Very high | 89.3 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -119.2 | -164 | 171.1 | -82.7 | -81.6 | 0 | 0 | 0 | 109 | L1193 N1196 E1197 L1198 V1215 D1216 I1220 N1242 | L1193-N1218 PolarHBondContact O-ND2 2.98Å; N1196-N1218 WeakPolarHBondContact CA-OD1 3.35Å; N1196-N1218 VanDerWaalsContact CB-OD1 3.31Å; N1196-N1218 WeakPolarHBondContact CB-OD1 3.22Å; N1196-N1218 PolarHBondContact O-OD1 3.19Å; N1196-N1218 VanDerWaalsContact O-OD1 3.13Å; E1197-N1218 PolarHBondContact N-OD1 2.88Å; L1198-N1218 HydrophobicContact CB-CB 4.12Å; L1198-N1218 VanDerWaalsContact CB-OD1 3.25Å; L1198-N1218 WeakPolarHBondContact CB-OD1 3.28Å; L1198-N1218 WeakPolarHBondContact CG-OD1 3.49Å; L1198-N1218 PolarHBondContact N-OD1 2.95Å; V1215-N1218 PolarHBondContact O-ND2 3.39Å; D1216-N1218 PolarHBondContact O-N 3.24Å; D1216-N1218 PolarHBondContact O-ND2 3.49Å; N1218-I1220 HydrophobicContact CB-CD1 4.22Å; N1218-I1220 HydrophobicContact CB-CG1 4.2Å; N1218-N1242 WeakPolarHBondContact CA-OD1 3.38Å; N1218-N1242 VanDerWaalsContact CB-OD1 3.27Å; N1218-N1242 WeakPolarHBondContact CB-OD1 3.33Å; N1218-N1242 PolarHBondContact O-OD1 3.14Å |
| 1219 | K | 93.6 | Very high | 88.7 | Confident | 86 Ų | 86 | 49 Ų | 49 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | trans | -119.1 | 24.4 | -177.6 | -66.9 | 175.4 | 175.9 | 167.6 | 0 | 112.4 | E1197 L1198 K1221 N1242 | E1197-K1219 WeakPolarHBondContact OE2-CE 3.22Å; E1197-K1219 IonicContact OE2-NZ 3.34Å; E1197-K1219 PolarHBondContact OE2-NZ 2.87Å; L1198-K1219 CarbonylContact O-C 3.52Å; L1198-K1219 VanDerWaalsContact O-C 3.24Å; L1198-K1219 VanDerWaalsContact O-CA 3.26Å; L1198-K1219 WeakPolarHBondContact O-CA 3.15Å; L1198-K1219 PolarHBondContact O-N 3.17Å; K1219-K1221 PolarHBondContact O-N 2.99Å; K1219-N1242 PolarHBondContact N-OD1 3.23Å | ||
| 1220 | I | 92 | Very high | 88 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -67.5 | 115.6 | -170.4 | -58.1 | 161.4 | 0 | 0 | 0 | 110.1 | L1198 Y1199 I1201 V1215 N1218 L1223 L1239 N1242 R1243 L1244 | L1198-I1220 HydrophobicContact CB-CG1 4.46Å; L1198-I1220 PolarHBondContact O-N 3.4Å; Y1199-I1220 WeakPolarHBondContact O-CA 3.35Å; I1201-I1220 HydrophobicContact CG2-CD1 3.47Å; I1201-I1220 VanDerWaalsContact CG2-CD1 3.47Å; I1201-I1220 HydrophobicContact CG2-CG1 4.24Å; V1215-I1220 HydrophobicContact CB-CD1 4.06Å; V1215-I1220 HydrophobicContact CG2-CD1 4.04Å; N1218-I1220 HydrophobicContact CB-CD1 4.22Å; N1218-I1220 HydrophobicContact CB-CG1 4.2Å; I1220-L1223 HydrophobicContact CG2-CD2 3.8Å; I1220-L1223 HydrophobicContact CG2-CG 4.41Å; I1220-L1239 HydrophobicContact CD1-CD2 3.69Å; I1220-N1242 HydrophobicContact CB-CB 4.27Å; I1220-N1242 VanDerWaalsContact CB-OD1 3.29Å; I1220-N1242 WeakPolarHBondContact CB-OD1 3.35Å; I1220-N1242 WeakPolarHBondContact CG1-OD1 3.47Å; I1220-N1242 PolarHBondContact N-OD1 3.42Å; I1220-R1243 CarbonylContact O-C 3.26Å; I1220-R1243 VanDerWaalsContact O-C 3.25Å; I1220-R1243 VanDerWaalsContact O-CA 3.28Å; I1220-R1243 WeakPolarHBondContact O-CA 3.46Å; I1220-R1243 WeakPolarHBondContact O-CB 3.32Å; I1220-R1243 PolarHBondContact O-N 2.95Å; I1220-L1244 HydrophobicContact CG2-CD1 4.06Å; I1220-L1244 PolarHBondContact O-N 3.06Å | ||
| 1221 | K | 88.8 | Confident | 87.3 | Confident | 126 Ų | 126 | 51.1 Ų | 51.1 | 55% | 0.548 | 24% | 0.235 | S | C | . | . | trans | -102 | -36.9 | -177.2 | -173.7 | -175.8 | 175.2 | -169.7 | 0 | 113.5 | Y1199 K1219 R1243 | Y1199-K1221 PolarHBondContact O-N 3.21Å; K1219-K1221 PolarHBondContact O-N 2.99Å; K1221-R1243 WeakPolarHBondContact CA-O 3.29Å; K1221-R1243 HydrophobicContact CB-CB 4.17Å; K1221-R1243 HydrophobicContact CG-CB 4.39Å | ||
| 1222 | Y | 81.5 | Confident | 86.4 | Confident | 141 Ų | 141 | 54.4 Ų | 54.4 | 55% | 0.553 | 25% | 0.245 | S | C | * | . | trans | -141.7 | 148.3 | -179.2 | 62.4 | -86.9 | 0 | 0 | 0 | 109.1 | ||||
| 1223 | L | 84.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | trans | -112.5 | 142.9 | 169.4 | -61.5 | 174.1 | 0 | 0 | 0 | 106.3 | I1201 I1220 T1227 F1228 L1244 Q1249 F1250 | I1201-L1223 HydrophobicContact CD1-CD2 3.55Å; I1201-L1223 HydrophobicContact CG1-CD2 3.54Å; I1220-L1223 HydrophobicContact CG2-CD2 3.8Å; I1220-L1223 HydrophobicContact CG2-CG 4.41Å; L1223-T1227 HydrophobicContact CD2-CG2 4.37Å; L1223-F1228 HydrophobicContact CD1-CE2 3.81Å; L1223-F1228 HydrophobicContact CD1-CZ 4.36Å; L1223-L1244 HydrophobicContact CD1-CD1 4.13Å; L1223-L1244 HydrophobicContact CD1-CD2 3.86Å; L1223-L1244 HydrophobicContact CG-CD1 4.38Å; L1223-L1244 HydrophobicContact CG-CD2 3.96Å; L1223-Q1249 HydrophobicContact CB-CB 4.12Å; L1223-Q1249 HydrophobicContact CB-CG 4.08Å; L1223-Q1249 VanDerWaalsContact O-CG 3.26Å; L1223-Q1249 WeakPolarHBondContact O-CG 3.43Å; L1223-F1250 HydrophobicContact CD1-CE1 4.03Å; L1223-F1250 HydrophobicContact CD1-CE2 3.78Å; L1223-F1250 HydrophobicContact CD1-CZ 3.33Å | ||
| 1224 | N | 77.9 | Confident | 85.7 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | trans | -91 | 162.4 | 178.6 | 65 | 31.7 | 0 | 0 | 0 | 110.2 | I1226 T1227 | N1224-I1226 PolarHBondContact O-N 3.37Å; N1224-I1226 VanDerWaalsContact O-N 3.1Å; N1224-I1226 WeakPolarHBondContact OD1-CG1 3.24Å; N1224-I1226 PolarHBondContact OD1-N 3.23Å; N1224-T1227 VanDerWaalsContact CG-OG1 3.23Å; N1224-T1227 PolarHBondContact N-OG1 2.85Å; N1224-T1227 VanDerWaalsContact N-OG1 3.11Å; N1224-T1227 WeakPolarHBondContact O-CB 3.42Å; N1224-T1227 PolarHBondContact O-N 2.75Å; N1224-T1227 VanDerWaalsContact O-N 3.1Å; N1224-T1227 PolarHBondContact O-OG1 3.32Å; N1224-T1227 VanDerWaalsContact O-OG1 3.1Å; N1224-T1227 WeakPolarHBondContact OD1-CA 3.46Å; N1224-T1227 WeakPolarHBondContact OD1-CB 3.4Å; N1224-T1227 PolarHBondContact OD1-N 3.02Å; N1224-T1227 PolarHBondContact OD1-OG1 3.44Å | ||
| 1225 | E | 71.7 | Confident | 85.6 | Confident | 134 Ų | 134 | 54.3 Ų | 54.3 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.9 | -178.2 | -64.6 | -173.5 | 163.1 | 0 | 0 | 115.1 | Q1249 Q1252 | E1225-Q1249 VanDerWaalsContact CG-OE1 3.28Å; E1225-Q1252 PolarHBondContact O-NE2 2.9Å; E1225-Q1252 VanDerWaalsContact O-NE2 3.16Å; E1225-Q1252 PolarHBondContact O-OE1 3.2Å |
| 1226 | I | 77.6 | Confident | 85.6 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 46% | 0.462 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -10 | -178.4 | 62.7 | 173.2 | 0 | 0 | 0 | 113 | E1205 N1224 F1228 L1229 | E1205-I1226 WeakPolarHBondContact CG-O 3.4Å; N1224-I1226 PolarHBondContact O-N 3.37Å; N1224-I1226 VanDerWaalsContact O-N 3.1Å; N1224-I1226 WeakPolarHBondContact OD1-CG1 3.24Å; N1224-I1226 PolarHBondContact OD1-N 3.23Å; I1226-F1228 VanDerWaalsContact C-N 3.28Å; I1226-F1228 PolarHBondContact O-N 3Å; I1226-L1229 WeakPolarHBondContact O-CB 3.49Å; I1226-L1229 PolarHBondContact O-N 3.04Å |
| 1227 | T | 81.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -44.3 | -168.1 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | I1201 I1204 E1205 L1223 N1224 N1231 | I1201-T1227 HydrophobicContact CD1-CG2 3.83Å; I1201-T1227 HydrophobicContact CG1-CG2 3.64Å; I1204-T1227 HydrophobicContact CD1-CG2 4.36Å; I1204-T1227 HydrophobicContact CG1-CG2 4.4Å; E1205-T1227 WeakPolarHBondContact CA-O 3.42Å; L1223-T1227 HydrophobicContact CD2-CG2 4.37Å; N1224-T1227 VanDerWaalsContact CG-OG1 3.23Å; N1224-T1227 PolarHBondContact N-OG1 2.85Å; N1224-T1227 VanDerWaalsContact N-OG1 3.11Å; N1224-T1227 WeakPolarHBondContact O-CB 3.42Å; N1224-T1227 PolarHBondContact O-N 2.75Å; N1224-T1227 VanDerWaalsContact O-N 3.1Å; N1224-T1227 PolarHBondContact O-OG1 3.32Å; N1224-T1227 VanDerWaalsContact O-OG1 3.1Å; N1224-T1227 WeakPolarHBondContact OD1-CA 3.46Å; N1224-T1227 WeakPolarHBondContact OD1-CB 3.4Å; N1224-T1227 PolarHBondContact OD1-N 3.02Å; N1224-T1227 PolarHBondContact OD1-OG1 3.44Å; T1227-N1231 PolarHBondContact O-OD1 3.45Å; T1227-N1231 VanDerWaalsContact O-OD1 3.06Å |
| 1228 | F | 83.1 | Confident | 85.6 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 9.7 | -175.8 | -66.6 | -52 | 0 | 0 | 0 | 114 | I1201 I1204 L1213 L1223 I1226 Y1230 N1231 L1234 I1237 F1250 L1253 | I1201-F1228 HydrophobicContact CD1-CE1 4.01Å; I1201-F1228 HydrophobicContact CD1-CZ 3.68Å; I1204-F1228 HydrophobicContact CD1-CD1 4.27Å; I1204-F1228 HydrophobicContact CD1-CE1 3.74Å; L1213-F1228 HydrophobicContact CD2-CE1 4.3Å; L1223-F1228 HydrophobicContact CD1-CE2 3.81Å; L1223-F1228 HydrophobicContact CD1-CZ 4.36Å; I1226-F1228 VanDerWaalsContact C-N 3.28Å; I1226-F1228 PolarHBondContact O-N 3Å; F1228-Y1230 PolarHBondContact O-N 2.75Å; F1228-N1231 WeakPolarHBondContact CA-OD1 3.47Å; F1228-N1231 HydrophobicContact CD1-CB 4.27Å; F1228-N1231 PolarHBondContact O-N 2.87Å; F1228-L1234 HydrophobicContact CD1-CD2 4Å; F1228-L1234 HydrophobicContact CE1-CD2 3.83Å; F1228-I1237 HydrophobicContact CE1-CD1 4.43Å; F1228-I1237 HydrophobicContact CZ-CD1 4.12Å; F1228-F1250 HydrophobicContact CD2-CD1 4.22Å; F1228-F1250 HydrophobicContact CD2-CE1 4.4Å; F1228-F1250 AromaticContact CE2-CD1 3.68Å; F1228-F1250 HydrophobicContact CE2-CD1 3.68Å; F1228-F1250 AromaticContact CE2-CE1 3.45Å; F1228-F1250 HydrophobicContact CE2-CE1 3.45Å; F1228-F1250 VanDerWaalsContact CE2-CE1 3.45Å; F1228-F1250 HydrophobicContact CE2-CZ 4.17Å; F1228-F1250 HydrophobicContact CZ-CD1 4.47Å; F1228-F1250 AromaticContact CZ-CE1 4Å; F1228-F1250 HydrophobicContact CZ-CE1 4Å; F1228-L1253 HydrophobicContact CB-CD1 4.22Å; F1228-L1253 HydrophobicContact CB-CD2 3.71Å; F1228-L1253 HydrophobicContact CB-CG 3.89Å; F1228-L1253 HydrophobicContact CD1-CD1 4.3Å; F1228-L1253 HydrophobicContact CD1-CD2 4.35Å; F1228-L1253 HydrophobicContact CD2-CD1 3.83Å; F1228-L1253 HydrophobicContact CD2-CG 4.37Å; F1228-L1253 HydrophobicContact CE2-CD1 4.21Å; F1228-L1253 HydrophobicContact CG-CD1 3.88Å; F1228-L1253 HydrophobicContact CG-CD2 4.08Å; F1228-L1253 HydrophobicContact CG-CG 4.12Å |
| 1229 | L | 75.7 | Confident | 85.6 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.9 | -170.8 | -173.1 | 66 | 0 | 0 | 0 | 112.9 | I1226 | I1226-L1229 WeakPolarHBondContact O-CB 3.49Å; I1226-L1229 PolarHBondContact O-N 3.04Å |
| 1230 | Y | 77.9 | Confident | 85.6 | Confident | 117 Ų | 117 | 51.5 Ų | 51.5 | 46% | 0.459 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 14.7 | 177.8 | -43.8 | -78 | 0 | 0 | 0 | 114.4 | E1205 H1206 T1208 F1228 W1232 | E1205-Y1230 VanDerWaalsContact O-CB 3.29Å; E1205-Y1230 WeakPolarHBondContact O-CB 3.45Å; H1206-Y1230 AromaticContact ND1-CD2 3.99Å; T1208-Y1230 WeakPolarHBondContact CA-O 3.49Å; F1228-Y1230 PolarHBondContact O-N 2.75Å; Y1230-W1232 VanDerWaalsContact C-N 3.3Å; Y1230-W1232 PolarHBondContact O-N 3.49Å; Y1230-W1232 PolarHBondContact O-NE1 2.79Å |
| 1231 | N | 80.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -96.2 | 44.9 | 175.4 | -54.8 | 110.7 | 0 | 0 | 0 | 112 | I1204 L1207 T1227 F1228 T1233 L1234 L1253 | I1204-N1231 PolarHBondContact O-ND2 3.33Å; I1204-N1231 PolarHBondContact O-OD1 2.92Å; L1207-N1231 PolarHBondContact O-ND2 3Å; T1227-N1231 PolarHBondContact O-OD1 3.45Å; T1227-N1231 VanDerWaalsContact O-OD1 3.06Å; F1228-N1231 WeakPolarHBondContact CA-OD1 3.47Å; F1228-N1231 HydrophobicContact CD1-CB 4.27Å; F1228-N1231 PolarHBondContact O-N 2.87Å; N1231-T1233 PolarHBondContact O-N 3.42Å; N1231-T1233 VanDerWaalsContact O-N 3.11Å; N1231-L1234 HydrophobicContact CB-CB 4.42Å; N1231-L1234 HydrophobicContact CB-CD2 4.41Å; N1231-L1234 WeakPolarHBondContact O-CB 3.37Å; N1231-L1234 PolarHBondContact O-N 3.35Å; N1231-L1234 VanDerWaalsContact O-N 3.14Å; N1231-L1253 HydrophobicContact CB-CD2 4.32Å; N1231-L1253 WeakPolarHBondContact O-CD2 3.41Å | ||
| 1232 | W | 75.6 | Confident | 86 | Confident | 150 Ų | 150 | 49.8 Ų | 49.8 | 57% | 0.568 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.8 | -175.1 | 45.9 | -71.7 | 0 | 0 | 0 | 113.3 | Y1230 N1255 | Y1230-W1232 VanDerWaalsContact C-N 3.3Å; Y1230-W1232 PolarHBondContact O-N 3.49Å; Y1230-W1232 PolarHBondContact O-NE1 2.79Å; W1232-N1255 VanDerWaalsContact O-CB 3.29Å; W1232-N1255 WeakPolarHBondContact O-CB 3.49Å; W1232-N1255 PolarHBondContact O-ND2 3.43Å |
| 1233 | T | 87.7 | Confident | 86.5 | Confident | 24 Ų | 24 | 48.7 Ų | 48.7 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -5 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | T1208 E1209 L1210 N1231 N1235 | T1208-T1233 WeakPolarHBondContact O-CB 3.25Å; T1208-T1233 WeakPolarHBondContact O-CG2 3.45Å; T1208-T1233 PolarHBondContact O-OG1 3.03Å; E1209-T1233 VanDerWaalsContact C-OG1 3.23Å; L1210-T1233 PolarHBondContact N-OG1 3.28Å; L1210-T1233 CarbonylContact O-C 3.5Å; L1210-T1233 VanDerWaalsContact O-C 3.31Å; L1210-T1233 PolarHBondContact O-OG1 3.3Å; N1231-T1233 PolarHBondContact O-N 3.42Å; N1231-T1233 VanDerWaalsContact O-N 3.11Å; T1233-N1235 PolarHBondContact O-N 2.93Å; T1233-N1235 PolarHBondContact O-ND2 2.7Å |
| 1234 | L | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -65.4 | 118.4 | -175.7 | -156 | 66.7 | 0 | 0 | 0 | 110.1 | L1210 L1213 F1228 N1231 I1237 L1253 N1255 L1256 | L1210-L1234 HydrophobicContact CB-CD1 4.18Å; L1210-L1234 HydrophobicContact CD2-CD1 3.81Å; L1210-L1234 HydrophobicContact CG-CD1 3.67Å; L1210-L1234 WeakPolarHBondContact O-CA 3.46Å; L1210-L1234 VanDerWaalsContact O-CD1 3.32Å; L1210-L1234 WeakPolarHBondContact O-CD1 3.48Å; L1210-L1234 PolarHBondContact O-N 2.86Å; L1210-L1234 VanDerWaalsContact O-N 3.07Å; L1213-L1234 HydrophobicContact CB-CD1 4.09Å; F1228-L1234 HydrophobicContact CD1-CD2 4Å; F1228-L1234 HydrophobicContact CE1-CD2 3.83Å; N1231-L1234 HydrophobicContact CB-CB 4.42Å; N1231-L1234 HydrophobicContact CB-CD2 4.41Å; N1231-L1234 WeakPolarHBondContact O-CB 3.37Å; N1231-L1234 PolarHBondContact O-N 3.35Å; N1231-L1234 VanDerWaalsContact O-N 3.14Å; L1234-I1237 HydrophobicContact CD2-CD1 3.36Å; L1234-I1237 HydrophobicContact CD2-CG1 3.52Å; L1234-I1237 HydrophobicContact CG-CD1 4.11Å; L1234-I1237 HydrophobicContact CG-CG1 3.81Å; L1234-L1253 HydrophobicContact CB-CD2 4.09Å; L1234-L1253 HydrophobicContact CD2-CD1 4.15Å; L1234-L1253 HydrophobicContact CD2-CD2 4.16Å; L1234-N1255 CarbonylContact O-C 3.56Å; L1234-L1256 WeakPolarHBondContact O-CA 3.34Å; L1234-L1256 PolarHBondContact O-N 3.04Å | ||
| 1235 | N | 94 | Very high | 87.4 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | trans | -104.7 | -30.2 | -178 | -65.9 | -69.4 | 0 | 0 | 0 | 111.8 | K1211 T1233 N1255 K1257 R1258 | K1211-N1235 PolarHBondContact O-N 3.1Å; T1233-N1235 PolarHBondContact O-N 2.93Å; T1233-N1235 PolarHBondContact O-ND2 2.7Å; N1235-N1255 PolarHBondContact OD1-O 2.7Å; N1235-K1257 WeakPolarHBondContact O-CA 3.41Å; N1235-K1257 WeakPolarHBondContact O-CB 3.24Å; N1235-K1257 PolarHBondContact O-N 2.95Å; N1235-R1258 PolarHBondContact O-N 2.85Å | ||
| 1236 | E | 96 | Very high | 88.2 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 125.6 | -169.7 | -176.2 | 153.3 | 171.2 | 0 | 0 | 110.3 | K1211 E1212 L1213 H1238 R1258 Y1260 | K1211-E1236 PolarHBondContact O-N 2.83Å; K1211-E1236 VanDerWaalsContact O-N 3.1Å; E1212-E1236 WeakPolarHBondContact CA-O 3.37Å; L1213-E1236 PolarHBondContact N-O 3.08Å; E1236-H1238 WeakPolarHBondContact CG-NE2 3.4Å; E1236-H1238 IonicContact OE1-CD2 3.42Å; E1236-H1238 IonicContact OE1-CE1 3.31Å; E1236-H1238 IonicContact OE1-NE2 3.36Å; E1236-H1238 PolarHBondContact OE1-NE2 3.09Å; E1236-R1258 WeakPolarHBondContact CA-O 3.34Å; E1236-R1258 HydrophobicContact CB-CB 4.34Å; E1236-R1258 HydrophobicContact CG-CB 4.02Å; E1236-R1258 WeakPolarHBondContact OE2-CD 3.5Å; E1236-R1258 IonicContact OE2-CZ 2.89Å; E1236-R1258 IonicContact OE2-NE 3.82Å; E1236-R1258 IonicContact OE2-NH1 3.89Å; E1236-R1258 PolarHBondContact OE2-NH1 3.02Å; E1236-Y1260 HydrophobicContact CG-CE2 4.33Å |
| 1237 | I | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.9 | 177.1 | -55.4 | 174.6 | 0 | 0 | 0 | 108.9 | L1213 F1228 L1234 L1239 F1250 L1253 L1256 R1258 L1259 Y1260 | L1213-I1237 WeakPolarHBondContact O-CA 3.23Å; F1228-I1237 HydrophobicContact CE1-CD1 4.43Å; F1228-I1237 HydrophobicContact CZ-CD1 4.12Å; L1234-I1237 HydrophobicContact CD2-CD1 3.36Å; L1234-I1237 HydrophobicContact CD2-CG1 3.52Å; L1234-I1237 HydrophobicContact CG-CD1 4.11Å; L1234-I1237 HydrophobicContact CG-CG1 3.81Å; I1237-L1239 HydrophobicContact CG2-CB 4.45Å; I1237-L1239 HydrophobicContact CG2-CD1 3.62Å; I1237-L1239 HydrophobicContact CG2-CG 3.77Å; I1237-F1250 HydrophobicContact CD1-CD1 4.06Å; I1237-F1250 HydrophobicContact CD1-CE1 3.98Å; I1237-L1253 HydrophobicContact CD1-CD1 3.65Å; I1237-L1256 HydrophobicContact CB-CD1 4.44Å; I1237-L1256 HydrophobicContact CD1-CD1 3.72Å; I1237-L1256 HydrophobicContact CD1-CD2 4.45Å; I1237-L1256 HydrophobicContact CG1-CD1 3.73Å; I1237-R1258 PolarHBondContact N-O 3.29Å; I1237-L1259 HydrophobicContact CB-CD1 3.98Å; I1237-L1259 HydrophobicContact CG2-CD1 4.26Å; I1237-Y1260 PolarHBondContact O-N 3.19Å |
| 1238 | H | 96.9 | Very high | 88.8 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 114.3 | 170.6 | -58.3 | -113.4 | 0 | 0 | 0 | 108.5 | L1213 V1214 V1215 D1216 E1236 Y1260 | L1213-H1238 PolarHBondContact O-N 2.63Å; V1214-H1238 HydrophobicContact CG1-CB 4.19Å; V1214-H1238 HydrophobicContact CG2-CB 4.47Å; V1215-H1238 WeakPolarHBondContact CG2-O 3.43Å; V1215-H1238 PolarHBondContact N-O 3.04Å; D1216-H1238 WeakPolarHBondContact OD1-CB 3.46Å; D1216-H1238 WeakPolarHBondContact OD2-CB 3.22Å; E1236-H1238 WeakPolarHBondContact CG-NE2 3.4Å; E1236-H1238 IonicContact OE1-CD2 3.42Å; E1236-H1238 IonicContact OE1-CE1 3.31Å; E1236-H1238 IonicContact OE1-NE2 3.36Å; E1236-H1238 PolarHBondContact OE1-NE2 3.09Å; H1238-Y1260 AromaticContact CE1-CD2 3.41Å; H1238-Y1260 VanDerWaalsContact CE1-CD2 3.41Å; H1238-Y1260 WeakPolarHBondContact CE1-CD2 3.47Å; H1238-Y1260 AromaticContact CE1-CE2 3.31Å; H1238-Y1260 WeakPolarHBondContact CE1-CE2 3.38Å; H1238-Y1260 AromaticContact CG-CD2 3.78Å; H1238-Y1260 AromaticContact ND1-CD2 3.4Å; H1238-Y1260 WeakPolarHBondContact ND1-CD2 3.28Å; H1238-Y1260 AromaticContact ND1-CE2 3.82Å; H1238-Y1260 AromaticContact NE2-CD2 3.79Å; H1238-Y1260 AromaticContact NE2-CE2 3.61Å |
| 1239 | L | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -128.7 | 25.1 | -176.8 | -92.3 | 166.6 | 0 | 0 | 0 | 111.2 | V1215 D1216 I1220 I1237 N1242 L1244 F1250 Y1260 I1261 N1264 | V1215-L1239 HydrophobicContact CG2-CD2 3.36Å; V1215-L1239 HydrophobicContact CG2-CG 3.67Å; D1216-L1239 PolarHBondContact OD1-N 3.5Å; I1220-L1239 HydrophobicContact CD1-CD2 3.69Å; I1237-L1239 HydrophobicContact CG2-CB 4.45Å; I1237-L1239 HydrophobicContact CG2-CD1 3.62Å; I1237-L1239 HydrophobicContact CG2-CG 3.77Å; L1239-N1242 PolarHBondContact O-ND2 3.37Å; L1239-L1244 HydrophobicContact CD1-CD1 4.09Å; L1239-L1244 HydrophobicContact CD2-CD1 3.93Å; L1239-F1250 HydrophobicContact CD1-CE1 3.7Å; L1239-F1250 HydrophobicContact CD1-CZ 3.42Å; L1239-F1250 VanDerWaalsContact CD1-CZ 3.42Å; L1239-Y1260 CarbonylContact C-O 3.53Å; L1239-Y1260 WeakPolarHBondContact CA-O 3.31Å; L1239-Y1260 PolarHBondContact N-O 3.28Å; L1239-I1261 HydrophobicContact CB-CG1 4.27Å; L1239-N1264 PolarHBondContact O-ND2 3.25Å | ||
| 1240 | E | 94.3 | Very high | 89.2 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 146.6 | -176.5 | -60.6 | 175.8 | -169 | 0 | 0 | 110.8 | D1216 N1217 N1242 Y1260 D1262 | D1216-E1240 WeakPolarHBondContact CA-O 3.27Å; D1216-E1240 HydrophobicContact CB-CB 4.42Å; D1216-E1240 WeakPolarHBondContact OD1-CB 3.37Å; D1216-E1240 PolarHBondContact OD1-N 2.99Å; N1217-E1240 PolarHBondContact N-O 3.48Å; E1240-N1242 VanDerWaalsContact C-N 3.34Å; E1240-N1242 PolarHBondContact O-N 3.42Å; E1240-N1242 PolarHBondContact O-ND2 3.13Å; E1240-N1242 VanDerWaalsContact O-ND2 3.16Å; E1240-Y1260 WeakPolarHBondContact OE1-CB 3.31Å; E1240-D1262 WeakPolarHBondContact CA-O 3.36Å; E1240-D1262 HydrophobicContact CG-CB 4.23Å |
| 1241 | N | 94.4 | Very high | 89.5 | Confident | 83 Ų | 83 | 37.7 Ų | 37.7 | 44% | 0.444 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 49.3 | 176.2 | -168.1 | 30 | 0 | 0 | 0 | 112.9 | N1217 D1262 | N1217-N1241 PolarHBondContact OD1-ND2 2.89Å; N1241-D1262 PolarHBondContact N-O 2.9Å |
| 1242 | N | 94.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -111.3 | -153.3 | 171.4 | -85 | -81.1 | 0 | 0 | 0 | 109.5 | V1215 N1218 K1219 I1220 L1239 E1240 N1264 | V1215-N1242 PolarHBondContact O-ND2 2.83Å; V1215-N1242 VanDerWaalsContact O-ND2 3.12Å; N1218-N1242 WeakPolarHBondContact CA-OD1 3.38Å; N1218-N1242 VanDerWaalsContact CB-OD1 3.27Å; N1218-N1242 WeakPolarHBondContact CB-OD1 3.33Å; N1218-N1242 PolarHBondContact O-OD1 3.14Å; K1219-N1242 PolarHBondContact N-OD1 3.23Å; I1220-N1242 HydrophobicContact CB-CB 4.27Å; I1220-N1242 VanDerWaalsContact CB-OD1 3.29Å; I1220-N1242 WeakPolarHBondContact CB-OD1 3.35Å; I1220-N1242 WeakPolarHBondContact CG1-OD1 3.47Å; I1220-N1242 PolarHBondContact N-OD1 3.42Å; L1239-N1242 PolarHBondContact O-ND2 3.37Å; E1240-N1242 VanDerWaalsContact C-N 3.34Å; E1240-N1242 PolarHBondContact O-N 3.42Å; E1240-N1242 PolarHBondContact O-ND2 3.13Å; E1240-N1242 VanDerWaalsContact O-ND2 3.16Å; N1242-N1264 WeakPolarHBondContact CA-OD1 3.39Å; N1242-N1264 WeakPolarHBondContact CB-OD1 3.29Å |
| 1243 | R | 92.2 | Very high | 90 | Very high | 118 Ų | 118 | 34.1 Ų | 34.1 | 45% | 0.445 | 16% | 0.164 | S | C | . | . | trans | -135.6 | 25 | -175 | -58.6 | 176.4 | 179 | 178.5 | -2.1 | 112.4 | I1220 K1221 N1245 N1264 | I1220-R1243 CarbonylContact O-C 3.26Å; I1220-R1243 VanDerWaalsContact O-C 3.25Å; I1220-R1243 VanDerWaalsContact O-CA 3.28Å; I1220-R1243 WeakPolarHBondContact O-CA 3.46Å; I1220-R1243 WeakPolarHBondContact O-CB 3.32Å; I1220-R1243 PolarHBondContact O-N 2.95Å; K1221-R1243 WeakPolarHBondContact CA-O 3.29Å; K1221-R1243 HydrophobicContact CB-CB 4.17Å; K1221-R1243 HydrophobicContact CG-CB 4.39Å; R1243-N1245 PolarHBondContact O-OD1 3.5Å; R1243-N1264 PolarHBondContact N-OD1 2.96Å; R1243-N1264 VanDerWaalsContact N-OD1 3.08Å | ||
| 1244 | L | 91 | Very high | 89.8 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | trans | -67.4 | 133.4 | -177.3 | -99.2 | 131.9 | 0 | 0 | 0 | 111.8 | I1220 L1223 L1239 E1246 F1250 I1261 N1264 K1265 L1266 | I1220-L1244 HydrophobicContact CG2-CD1 4.06Å; I1220-L1244 PolarHBondContact O-N 3.06Å; L1223-L1244 HydrophobicContact CD1-CD1 4.13Å; L1223-L1244 HydrophobicContact CD1-CD2 3.86Å; L1223-L1244 HydrophobicContact CG-CD1 4.38Å; L1223-L1244 HydrophobicContact CG-CD2 3.96Å; L1239-L1244 HydrophobicContact CD1-CD1 4.09Å; L1239-L1244 HydrophobicContact CD2-CD1 3.93Å; L1244-E1246 WeakPolarHBondContact CD2-O 3.48Å; L1244-F1250 HydrophobicContact CD2-CE2 4.26Å; L1244-I1261 HydrophobicContact CB-CD1 4.19Å; L1244-I1261 HydrophobicContact CD1-CD1 4.25Å; L1244-N1264 HydrophobicContact CB-CB 4.27Å; L1244-N1264 WeakPolarHBondContact CB-OD1 2.9Å; L1244-N1264 PolarHBondContact N-OD1 2.91Å; L1244-K1265 CarbonylContact O-C 3.23Å; L1244-K1265 VanDerWaalsContact O-C 3.29Å; L1244-K1265 VanDerWaalsContact O-CA 3.3Å; L1244-K1265 WeakPolarHBondContact O-CA 3.34Å; L1244-K1265 WeakPolarHBondContact O-CB 3.35Å; L1244-K1265 PolarHBondContact O-N 2.86Å; L1244-L1266 PolarHBondContact O-N 2.89Å | ||
| 1245 | N | 89.3 | Confident | 89.6 | Confident | 61 Ų | 61 | 41 Ų | 41 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | trans | -109.3 | -15.8 | 179 | -68.6 | 22.4 | 0 | 0 | 0 | 113.6 | R1243 K1265 L1266 | R1243-N1245 PolarHBondContact O-OD1 3.5Å; N1245-K1265 WeakPolarHBondContact OD1-CB 3.45Å; N1245-L1266 VanDerWaalsContact C-CD2 3.43Å | ||
| 1246 | E | 88.3 | Confident | 89.5 | Confident | 103 Ų | 103 | 39.1 Ų | 39.1 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | trans | -136.9 | 155.1 | -173.6 | -64.6 | 172 | -154 | 0 | 0 | 110.2 | L1244 N1248 D1271 | L1244-E1246 WeakPolarHBondContact CD2-O 3.48Å; E1246-N1248 PolarHBondContact OE2-ND2 3.17Å; E1246-D1271 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 1247 | L | 88.3 | Confident | 89.4 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -120.8 | -7.4 | -179.1 | -67.2 | -174.6 | 0 | 0 | 0 | 114 | Q1249 F1250 I1261 L1266 D1271 F1272 F1275 | L1247-Q1249 PolarHBondContact O-N 3.27Å; L1247-F1250 HydrophobicContact CB-CD2 4.25Å; L1247-F1250 HydrophobicContact CD2-CD2 3.78Å; L1247-F1250 HydrophobicContact CD2-CE2 3.73Å; L1247-F1250 WeakPolarHBondContact O-CD2 3.29Å; L1247-F1250 PolarHBondContact O-N 2.98Å; L1247-I1261 HydrophobicContact CD2-CD1 3.61Å; L1247-L1266 HydrophobicContact CD1-CD1 3.98Å; L1247-L1266 HydrophobicContact CD2-CD1 3.82Å; L1247-L1266 HydrophobicContact CD2-CD2 3.86Å; L1247-L1266 HydrophobicContact CD2-CG 4.5Å; L1247-L1266 HydrophobicContact CG-CD1 3.92Å; L1247-L1266 HydrophobicContact CG-CD2 3.83Å; L1247-D1271 PolarHBondContact N-OD2 3Å; L1247-F1272 HydrophobicContact CD1-CD2 3.5Å; L1247-F1272 HydrophobicContact CD1-CE2 3.88Å; L1247-F1275 HydrophobicContact CB-CB 3.93Å; L1247-F1275 HydrophobicContact CB-CD1 4.48Å; L1247-F1275 HydrophobicContact CB-CD2 3.93Å; L1247-F1275 HydrophobicContact CB-CG 3.86Å; L1247-F1275 HydrophobicContact CD1-CB 4.41Å; L1247-F1275 HydrophobicContact CD1-CD1 3.64Å; L1247-F1275 HydrophobicContact CD1-CD2 4.34Å; L1247-F1275 HydrophobicContact CD1-CE1 3.91Å; L1247-F1275 HydrophobicContact CD1-CG 3.88Å; L1247-F1275 HydrophobicContact CD1-CZ 4.35Å | ||
| 1248 | N | 83.2 | Confident | 89.5 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -42 | -33.2 | 178.8 | 47.5 | 17.7 | 0 | 0 | 0 | 115.1 | E1246 N1251 D1271 | E1246-N1248 PolarHBondContact OE2-ND2 3.17Å; N1248-N1251 WeakPolarHBondContact CA-ND2 3.41Å; N1248-N1251 WeakPolarHBondContact O-CB 3.24Å; N1248-N1251 PolarHBondContact O-N 3.23Å; N1248-N1251 PolarHBondContact O-ND2 3.22Å; N1248-D1271 WeakPolarHBondContact CA-OD1 3.3Å; N1248-D1271 WeakPolarHBondContact CB-OD1 3.45Å; N1248-D1271 PolarHBondContact N-OD1 2.84Å |
| 1249 | Q | 81.7 | Confident | 89.4 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -78.4 | -20.4 | -176.9 | -47.8 | -43.5 | -14.9 | 0 | 0 | 115.4 | L1223 E1225 L1247 N1251 | L1223-Q1249 HydrophobicContact CB-CB 4.12Å; L1223-Q1249 HydrophobicContact CB-CG 4.08Å; L1223-Q1249 VanDerWaalsContact O-CG 3.26Å; L1223-Q1249 WeakPolarHBondContact O-CG 3.43Å; E1225-Q1249 VanDerWaalsContact CG-OE1 3.28Å; L1247-Q1249 PolarHBondContact O-N 3.27Å; Q1249-N1251 PolarHBondContact O-N 3.06Å |
| 1250 | F | 87.2 | Confident | 89.5 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -73.1 | -18.1 | 173.6 | -61.5 | -82.8 | 0 | 0 | 0 | 111.7 | L1223 F1228 I1237 L1239 L1244 L1247 Q1252 L1253 L1259 I1261 F1275 Q1279 | L1223-F1250 HydrophobicContact CD1-CE1 4.03Å; L1223-F1250 HydrophobicContact CD1-CE2 3.78Å; L1223-F1250 HydrophobicContact CD1-CZ 3.33Å; F1228-F1250 HydrophobicContact CD2-CD1 4.22Å; F1228-F1250 HydrophobicContact CD2-CE1 4.4Å; F1228-F1250 AromaticContact CE2-CD1 3.68Å; F1228-F1250 HydrophobicContact CE2-CD1 3.68Å; F1228-F1250 AromaticContact CE2-CE1 3.45Å; F1228-F1250 HydrophobicContact CE2-CE1 3.45Å; F1228-F1250 VanDerWaalsContact CE2-CE1 3.45Å; F1228-F1250 HydrophobicContact CE2-CZ 4.17Å; F1228-F1250 HydrophobicContact CZ-CD1 4.47Å; F1228-F1250 AromaticContact CZ-CE1 4Å; F1228-F1250 HydrophobicContact CZ-CE1 4Å; I1237-F1250 HydrophobicContact CD1-CD1 4.06Å; I1237-F1250 HydrophobicContact CD1-CE1 3.98Å; L1239-F1250 HydrophobicContact CD1-CE1 3.7Å; L1239-F1250 HydrophobicContact CD1-CZ 3.42Å; L1239-F1250 VanDerWaalsContact CD1-CZ 3.42Å; L1244-F1250 HydrophobicContact CD2-CE2 4.26Å; L1247-F1250 HydrophobicContact CB-CD2 4.25Å; L1247-F1250 HydrophobicContact CD2-CD2 3.78Å; L1247-F1250 HydrophobicContact CD2-CE2 3.73Å; L1247-F1250 WeakPolarHBondContact O-CD2 3.29Å; L1247-F1250 PolarHBondContact O-N 2.98Å; F1250-Q1252 PolarHBondContact O-N 2.72Å; F1250-L1253 HydrophobicContact CB-CD1 4.45Å; F1250-L1253 HydrophobicContact CD1-CD1 3.88Å; F1250-L1253 VanDerWaalsContact O-CB 3.3Å; F1250-L1253 WeakPolarHBondContact O-CB 3.49Å; F1250-L1253 PolarHBondContact O-N 2.96Å; F1250-L1259 HydrophobicContact CD1-CD1 4.4Å; F1250-L1259 HydrophobicContact CE1-CD1 4.12Å; F1250-I1261 HydrophobicContact CE2-CD1 4.33Å; F1250-I1261 HydrophobicContact CZ-CD1 4.46Å; F1250-F1275 HydrophobicContact CB-CD2 3.92Å; F1250-F1275 HydrophobicContact CB-CE2 3.56Å; F1250-F1275 HydrophobicContact CG-CE2 4.33Å; F1250-Q1279 PolarHBondContact O-NE2 3Å |
| 1251 | N | 82.5 | Confident | 89.5 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -50.8 | -22.5 | -175.9 | -72 | -9.6 | 0 | 0 | 0 | 115.8 | N1248 Q1249 F1275 K1278 | N1248-N1251 WeakPolarHBondContact CA-ND2 3.41Å; N1248-N1251 WeakPolarHBondContact O-CB 3.24Å; N1248-N1251 PolarHBondContact O-N 3.23Å; N1248-N1251 PolarHBondContact O-ND2 3.22Å; Q1249-N1251 PolarHBondContact O-N 3.06Å; N1251-F1275 WeakPolarHBondContact OD1-CA 3.29Å; N1251-F1275 WeakPolarHBondContact OD1-CB 3.34Å; N1251-K1278 HydrophobicContact CB-CB 4.39Å; N1251-K1278 HydrophobicContact CB-CD 3.54Å; N1251-K1278 PolarHBondContact ND2-NZ 3.29Å |
| 1252 | Q | 79 | Confident | 89.4 | Confident | 74 Ų | 74 | 39.6 Ų | 39.6 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -86.8 | -15.8 | -179.5 | -59.7 | 173.7 | 2.8 | 0 | 0 | 112.6 | E1225 F1250 N1254 | E1225-Q1252 PolarHBondContact O-NE2 2.9Å; E1225-Q1252 VanDerWaalsContact O-NE2 3.16Å; E1225-Q1252 PolarHBondContact O-OE1 3.2Å; F1250-Q1252 PolarHBondContact O-N 2.72Å; Q1252-N1254 VanDerWaalsContact C-N 3.34Å; Q1252-N1254 PolarHBondContact O-N 3.41Å |
| 1253 | L | 87.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | trans | -82 | 70.5 | -175.3 | -66.5 | 173.6 | 0 | 0 | 0 | 112.8 | F1228 N1231 L1234 I1237 F1250 N1255 L1256 Q1279 | F1228-L1253 HydrophobicContact CB-CD1 4.22Å; F1228-L1253 HydrophobicContact CB-CD2 3.71Å; F1228-L1253 HydrophobicContact CB-CG 3.89Å; F1228-L1253 HydrophobicContact CD1-CD1 4.3Å; F1228-L1253 HydrophobicContact CD1-CD2 4.35Å; F1228-L1253 HydrophobicContact CD2-CD1 3.83Å; F1228-L1253 HydrophobicContact CD2-CG 4.37Å; F1228-L1253 HydrophobicContact CE2-CD1 4.21Å; F1228-L1253 HydrophobicContact CG-CD1 3.88Å; F1228-L1253 HydrophobicContact CG-CD2 4.08Å; F1228-L1253 HydrophobicContact CG-CG 4.12Å; N1231-L1253 HydrophobicContact CB-CD2 4.32Å; N1231-L1253 WeakPolarHBondContact O-CD2 3.41Å; L1234-L1253 HydrophobicContact CB-CD2 4.09Å; L1234-L1253 HydrophobicContact CD2-CD1 4.15Å; L1234-L1253 HydrophobicContact CD2-CD2 4.16Å; I1237-L1253 HydrophobicContact CD1-CD1 3.65Å; F1250-L1253 HydrophobicContact CB-CD1 4.45Å; F1250-L1253 HydrophobicContact CD1-CD1 3.88Å; F1250-L1253 VanDerWaalsContact O-CB 3.3Å; F1250-L1253 WeakPolarHBondContact O-CB 3.49Å; F1250-L1253 PolarHBondContact O-N 2.96Å; L1253-N1255 PolarHBondContact O-N 3.09Å; L1253-L1256 HydrophobicContact CB-CB 4Å; L1253-L1256 HydrophobicContact CD1-CD2 4.26Å; L1253-L1256 VanDerWaalsContact O-CB 3.32Å; L1253-L1256 WeakPolarHBondContact O-CB 3.47Å; L1253-L1256 PolarHBondContact O-N 2.68Å; L1253-Q1279 PolarHBondContact O-OE1 2.89Å | ||
| 1254 | N | 83.5 | Confident | 89.4 | Confident | 103 Ų | 103 | 40 Ų | 40 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.8 | -175.4 | -64.1 | -32.6 | 0 | 0 | 0 | 114.6 | Q1252 N1281 | Q1252-N1254 VanDerWaalsContact C-N 3.34Å; Q1252-N1254 PolarHBondContact O-N 3.41Å; N1254-N1281 VanDerWaalsContact O-CB 3.31Å; N1254-N1281 WeakPolarHBondContact O-CB 3.47Å; N1254-N1281 PolarHBondContact O-ND2 3.38Å |
| 1255 | N | 88.6 | Confident | 89.5 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 35% | 0.353 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 2.8 | 179.7 | -70.2 | -37.7 | 0 | 0 | 0 | 113.9 | W1232 L1234 N1235 L1253 K1257 | W1232-N1255 VanDerWaalsContact O-CB 3.29Å; W1232-N1255 WeakPolarHBondContact O-CB 3.49Å; W1232-N1255 PolarHBondContact O-ND2 3.43Å; L1234-N1255 CarbonylContact O-C 3.56Å; N1235-N1255 PolarHBondContact OD1-O 2.7Å; L1253-N1255 PolarHBondContact O-N 3.09Å; N1255-K1257 PolarHBondContact O-N 3.49Å |
| 1256 | L | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -61.5 | 121.7 | -179.6 | -170.8 | 63.3 | 0 | 0 | 0 | 109.8 | L1234 I1237 L1253 R1258 L1259 N1281 L1282 | L1234-L1256 WeakPolarHBondContact O-CA 3.34Å; L1234-L1256 PolarHBondContact O-N 3.04Å; I1237-L1256 HydrophobicContact CB-CD1 4.44Å; I1237-L1256 HydrophobicContact CD1-CD1 3.72Å; I1237-L1256 HydrophobicContact CD1-CD2 4.45Å; I1237-L1256 HydrophobicContact CG1-CD1 3.73Å; L1253-L1256 HydrophobicContact CB-CB 4Å; L1253-L1256 HydrophobicContact CD1-CD2 4.26Å; L1253-L1256 VanDerWaalsContact O-CB 3.32Å; L1253-L1256 WeakPolarHBondContact O-CB 3.47Å; L1253-L1256 PolarHBondContact O-N 2.68Å; L1256-R1258 WeakPolarHBondContact CD1-O 3.43Å; L1256-L1259 HydrophobicContact CD2-CB 4.11Å; L1256-L1259 HydrophobicContact CD2-CD1 4.49Å; L1256-L1259 HydrophobicContact CD2-CD2 4.26Å; L1256-N1281 CarbonylContact O-C 3.55Å; L1256-L1282 HydrophobicContact CB-CD1 4.47Å; L1256-L1282 HydrophobicContact CD2-CD1 4.13Å; L1256-L1282 HydrophobicContact CG-CD1 3.85Å; L1256-L1282 VanDerWaalsContact O-CA 3.28Å; L1256-L1282 WeakPolarHBondContact O-CA 3.44Å; L1256-L1282 PolarHBondContact O-N 2.94Å | ||
| 1257 | K | 94.2 | Very high | 89.5 | Confident | 100 Ų | 100 | 42.8 Ų | 42.8 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | trans | -106.1 | -37 | 179.1 | -66.7 | 177.6 | -174.4 | 174.6 | 0 | 111.3 | N1235 N1255 Y1283 E1284 | N1235-K1257 WeakPolarHBondContact O-CA 3.41Å; N1235-K1257 WeakPolarHBondContact O-CB 3.24Å; N1235-K1257 PolarHBondContact O-N 2.95Å; N1255-K1257 PolarHBondContact O-N 3.49Å; K1257-Y1283 WeakPolarHBondContact O-CA 3.1Å; K1257-Y1283 VanDerWaalsContact O-CB 3.32Å; K1257-Y1283 WeakPolarHBondContact O-CB 3.42Å; K1257-Y1283 PolarHBondContact O-N 3.32Å; K1257-E1284 PolarHBondContact O-N 3.48Å | ||
| 1258 | R | 96.1 | Very high | 89.4 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.9 | -177.4 | -54.1 | -164.8 | -172.7 | 83.5 | -0.8 | 110.8 | N1235 E1236 I1237 L1256 Y1260 E1284 | N1235-R1258 PolarHBondContact O-N 2.85Å; E1236-R1258 WeakPolarHBondContact CA-O 3.34Å; E1236-R1258 HydrophobicContact CB-CB 4.34Å; E1236-R1258 HydrophobicContact CG-CB 4.02Å; E1236-R1258 WeakPolarHBondContact OE2-CD 3.5Å; E1236-R1258 IonicContact OE2-CZ 2.89Å; E1236-R1258 IonicContact OE2-NE 3.82Å; E1236-R1258 IonicContact OE2-NH1 3.89Å; E1236-R1258 PolarHBondContact OE2-NH1 3.02Å; I1237-R1258 PolarHBondContact N-O 3.29Å; L1256-R1258 WeakPolarHBondContact CD1-O 3.43Å; R1258-Y1260 HydrophobicContact CB-CE2 3.98Å; R1258-Y1260 WeakPolarHBondContact CD-OH 3.31Å; R1258-E1284 WeakPolarHBondContact CA-O 3.4Å; R1258-E1284 WeakPolarHBondContact CD-OE2 3.43Å; R1258-E1284 HydrophobicContact CG-CB 4.2Å; R1258-E1284 IonicContact NE-OE2 2.79Å; R1258-E1284 PolarHBondContact NE-OE2 2.99Å |
| 1259 | L | 95.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 112.7 | 175.5 | 179.1 | 62 | 0 | 0 | 0 | 109.5 | I1237 F1250 L1256 I1261 F1275 L1282 E1284 I1285 S1286 | I1237-L1259 HydrophobicContact CB-CD1 3.98Å; I1237-L1259 HydrophobicContact CG2-CD1 4.26Å; F1250-L1259 HydrophobicContact CD1-CD1 4.4Å; F1250-L1259 HydrophobicContact CE1-CD1 4.12Å; L1256-L1259 HydrophobicContact CD2-CB 4.11Å; L1256-L1259 HydrophobicContact CD2-CD1 4.49Å; L1256-L1259 HydrophobicContact CD2-CD2 4.26Å; L1259-I1261 HydrophobicContact CG-CB 4.49Å; L1259-I1261 HydrophobicContact CG-CG2 4.5Å; L1259-F1275 HydrophobicContact CD2-CE2 4.21Å; L1259-F1275 HydrophobicContact CD2-CZ 3.72Å; L1259-L1282 HydrophobicContact CB-CD1 4.03Å; L1259-E1284 PolarHBondContact N-O 3.4Å; L1259-I1285 HydrophobicContact CB-CG1 4.26Å; L1259-I1285 HydrophobicContact CD2-CD1 4.16Å; L1259-I1285 HydrophobicContact CD2-CG1 4.47Å; L1259-I1285 CarbonylContact O-C 3.19Å; L1259-I1285 VanDerWaalsContact O-CA 3.28Å; L1259-I1285 WeakPolarHBondContact O-CA 3.4Å; L1259-S1286 PolarHBondContact O-N 3.48Å |
| 1260 | Y | 95.9 | Very high | 89.8 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 112.4 | 172 | -50 | -85.7 | 0 | 0 | 0 | 107.9 | E1236 I1237 H1238 L1239 E1240 R1258 E1284 | E1236-Y1260 HydrophobicContact CG-CE2 4.33Å; I1237-Y1260 PolarHBondContact O-N 3.19Å; H1238-Y1260 AromaticContact CE1-CD2 3.41Å; H1238-Y1260 VanDerWaalsContact CE1-CD2 3.41Å; H1238-Y1260 WeakPolarHBondContact CE1-CD2 3.47Å; H1238-Y1260 AromaticContact CE1-CE2 3.31Å; H1238-Y1260 WeakPolarHBondContact CE1-CE2 3.38Å; H1238-Y1260 AromaticContact CG-CD2 3.78Å; H1238-Y1260 AromaticContact ND1-CD2 3.4Å; H1238-Y1260 WeakPolarHBondContact ND1-CD2 3.28Å; H1238-Y1260 AromaticContact ND1-CE2 3.82Å; H1238-Y1260 AromaticContact NE2-CD2 3.79Å; H1238-Y1260 AromaticContact NE2-CE2 3.61Å; L1239-Y1260 CarbonylContact C-O 3.53Å; L1239-Y1260 WeakPolarHBondContact CA-O 3.31Å; L1239-Y1260 PolarHBondContact N-O 3.28Å; E1240-Y1260 WeakPolarHBondContact OE1-CB 3.31Å; R1258-Y1260 HydrophobicContact CB-CE2 3.98Å; R1258-Y1260 WeakPolarHBondContact CD-OH 3.31Å; Y1260-E1284 HydrophobicContact CE1-CG 4.39Å |
| 1261 | I | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -132.4 | 33.7 | -178.6 | -161.9 | 167.9 | 0 | 0 | 0 | 110.8 | L1239 L1244 L1247 F1250 L1259 N1264 L1266 S1286 L1287 N1290 | L1239-I1261 HydrophobicContact CB-CG1 4.27Å; L1244-I1261 HydrophobicContact CB-CD1 4.19Å; L1244-I1261 HydrophobicContact CD1-CD1 4.25Å; L1247-I1261 HydrophobicContact CD2-CD1 3.61Å; F1250-I1261 HydrophobicContact CE2-CD1 4.33Å; F1250-I1261 HydrophobicContact CZ-CD1 4.46Å; L1259-I1261 HydrophobicContact CG-CB 4.49Å; L1259-I1261 HydrophobicContact CG-CG2 4.5Å; I1261-N1264 HydrophobicContact CG1-CB 4.04Å; I1261-N1264 WeakPolarHBondContact CG1-ND2 3.35Å; I1261-N1264 PolarHBondContact O-ND2 2.85Å; I1261-L1266 HydrophobicContact CD1-CD1 4.29Å; I1261-L1266 HydrophobicContact CG2-CD1 4.16Å; I1261-S1286 CarbonylContact C-O 3.19Å; I1261-S1286 WeakPolarHBondContact CG2-O 3.45Å; I1261-S1286 PolarHBondContact N-O 3.32Å; I1261-L1287 HydrophobicContact CG2-CD2 3.46Å; I1261-L1287 VanDerWaalsContact CG2-CD2 3.46Å; I1261-L1287 HydrophobicContact CG2-CG 4.19Å; I1261-N1290 PolarHBondContact O-ND2 2.73Å | ||
| 1262 | D | 91.9 | Very high | 90.2 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 151.9 | 176.4 | -56.6 | -57.9 | 0 | 0 | 0 | 111.4 | E1240 N1241 N1264 S1286 L1287 I1288 | E1240-D1262 WeakPolarHBondContact CA-O 3.36Å; E1240-D1262 HydrophobicContact CG-CB 4.23Å; N1241-D1262 PolarHBondContact N-O 2.9Å; D1262-N1264 VanDerWaalsContact C-N 3.28Å; D1262-N1264 PolarHBondContact O-N 2.77Å; D1262-N1264 PolarHBondContact O-ND2 3.47Å; D1262-S1286 VanDerWaalsContact OD1-CB 3.26Å; D1262-S1286 WeakPolarHBondContact OD1-CB 3.29Å; D1262-S1286 PolarHBondContact OD1-OG 2.96Å; D1262-S1286 VanDerWaalsContact OD2-CB 3.26Å; D1262-S1286 WeakPolarHBondContact OD2-CB 3.46Å; D1262-S1286 PolarHBondContact OD2-OG 2.92Å; D1262-L1287 PolarHBondContact OD1-N 3.5Å; D1262-I1288 CarbonylContact C-O 3.28Å; D1262-I1288 VanDerWaalsContact CA-O 3.3Å; D1262-I1288 WeakPolarHBondContact CA-O 3.39Å; D1262-I1288 WeakPolarHBondContact OD1-CA 3.5Å; D1262-I1288 VanDerWaalsContact OD1-CB 3.3Å; D1262-I1288 WeakPolarHBondContact OD1-CB 3.49Å; D1262-I1288 WeakPolarHBondContact OD1-CG1 3.45Å; D1262-I1288 PolarHBondContact OD1-N 2.89Å |
| 1263 | Y | 93.3 | Very high | 90.6 | Very high | 125 Ų | 125 | 48.1 Ų | 48.1 | 49% | 0.49 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 41.3 | 177.1 | -63 | -88.9 | 0 | 0 | 0 | 114.1 | I1288 H1289 | Y1263-I1288 PolarHBondContact N-O 3.32Å; Y1263-H1289 HydrophobicContact CD1-CB 3.57Å; Y1263-H1289 AromaticContact CD1-CD2 3.97Å; Y1263-H1289 AromaticContact CD1-CG 3.86Å; Y1263-H1289 HydrophobicContact CD2-CB 4.46Å; Y1263-H1289 HydrophobicContact CE1-CB 3.72Å; Y1263-H1289 AromaticContact CE1-CD2 3.24Å; Y1263-H1289 WeakPolarHBondContact CE1-CD2 3.3Å; Y1263-H1289 AromaticContact CE1-CG 3.44Å; Y1263-H1289 VanDerWaalsContact CE1-CG 3.44Å; Y1263-H1289 AromaticContact CE1-NE2 3.88Å; Y1263-H1289 AromaticContact CE2-CD2 3.57Å; Y1263-H1289 HydrophobicContact CG-CB 3.98Å; Y1263-H1289 AromaticContact CZ-CD2 3.02Å; Y1263-H1289 AromaticContact CZ-CG 3.74Å; Y1263-H1289 AromaticContact CZ-NE2 3.59Å; Y1263-H1289 PolarHBondContact OH-CD2 2.94Å; Y1263-H1289 PolarHBondContact OH-NE2 3.32Å; Y1263-H1289 VanDerWaalsContact OH-NE2 3.12Å |
| 1264 | N | 94.1 | Very high | 90.7 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | trans | -103.4 | -158.3 | 168.5 | -80.1 | -85.6 | 0 | 0 | 0 | 109.8 | L1239 N1242 R1243 L1244 I1261 D1262 N1290 | L1239-N1264 PolarHBondContact O-ND2 3.25Å; N1242-N1264 WeakPolarHBondContact CA-OD1 3.39Å; N1242-N1264 WeakPolarHBondContact CB-OD1 3.29Å; R1243-N1264 PolarHBondContact N-OD1 2.96Å; R1243-N1264 VanDerWaalsContact N-OD1 3.08Å; L1244-N1264 HydrophobicContact CB-CB 4.27Å; L1244-N1264 WeakPolarHBondContact CB-OD1 2.9Å; L1244-N1264 PolarHBondContact N-OD1 2.91Å; I1261-N1264 HydrophobicContact CG1-CB 4.04Å; I1261-N1264 WeakPolarHBondContact CG1-ND2 3.35Å; I1261-N1264 PolarHBondContact O-ND2 2.85Å; D1262-N1264 VanDerWaalsContact C-N 3.28Å; D1262-N1264 PolarHBondContact O-N 2.77Å; D1262-N1264 PolarHBondContact O-ND2 3.47Å; N1264-N1290 VanDerWaalsContact CA-OD1 3.26Å; N1264-N1290 WeakPolarHBondContact CA-OD1 3.47Å; N1264-N1290 WeakPolarHBondContact CB-OD1 3.45Å; N1264-N1290 PolarHBondContact N-OD1 2.8Å; N1264-N1290 PolarHBondContact O-OD1 3.29Å | ||
| 1265 | K | 92.4 | Very high | 91.1 | Very high | 110 Ų | 110 | 46.5 Ų | 46.5 | 48% | 0.478 | 22% | 0.217 | S | C | . | . | trans | -129.8 | 27.5 | -170.9 | -70.5 | -173.8 | -178.9 | -168.7 | 0 | 112.6 | L1244 N1245 I1267 N1290 | L1244-K1265 CarbonylContact O-C 3.23Å; L1244-K1265 VanDerWaalsContact O-C 3.29Å; L1244-K1265 VanDerWaalsContact O-CA 3.3Å; L1244-K1265 WeakPolarHBondContact O-CA 3.34Å; L1244-K1265 WeakPolarHBondContact O-CB 3.35Å; L1244-K1265 PolarHBondContact O-N 2.86Å; N1245-K1265 WeakPolarHBondContact OD1-CB 3.45Å; K1265-I1267 PolarHBondContact O-N 2.99Å; K1265-N1290 PolarHBondContact N-OD1 3.42Å; K1265-N1290 VanDerWaalsContact N-OD1 3.11Å | ||
| 1266 | L | 90.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | trans | -65 | 125.8 | -179.3 | -54.4 | 173.2 | 0 | 0 | 0 | 111 | L1244 N1245 L1247 I1261 L1287 N1290 P1291 I1292 | L1244-L1266 PolarHBondContact O-N 2.89Å; N1245-L1266 VanDerWaalsContact C-CD2 3.43Å; L1247-L1266 HydrophobicContact CD1-CD1 3.98Å; L1247-L1266 HydrophobicContact CD2-CD1 3.82Å; L1247-L1266 HydrophobicContact CD2-CD2 3.86Å; L1247-L1266 HydrophobicContact CD2-CG 4.5Å; L1247-L1266 HydrophobicContact CG-CD1 3.92Å; L1247-L1266 HydrophobicContact CG-CD2 3.83Å; I1261-L1266 HydrophobicContact CD1-CD1 4.29Å; I1261-L1266 HydrophobicContact CG2-CD1 4.16Å; L1266-L1287 HydrophobicContact CD1-CD2 3.49Å; L1266-L1287 VanDerWaalsContact CD1-CD2 3.49Å; L1266-N1290 HydrophobicContact CB-CB 4.07Å; L1266-N1290 WeakPolarHBondContact CB-OD1 3.32Å; L1266-N1290 VanDerWaalsContact CG-OD1 3.27Å; L1266-N1290 WeakPolarHBondContact CG-OD1 3.49Å; L1266-N1290 PolarHBondContact N-OD1 3.22Å; L1266-P1291 WeakPolarHBondContact O-CB 3.39Å; L1266-P1291 WeakPolarHBondContact O-CD 3.33Å; L1266-I1292 HydrophobicContact CB-CG2 4.19Å; L1266-I1292 WeakPolarHBondContact O-CB 3.38Å; L1266-I1292 PolarHBondContact O-N 3.29Å | ||
| 1267 | I | 87.4 | Confident | 91 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 57% | 0.574 | 22% | 0.217 | S | C | * | . | trans | -136.1 | -24.6 | -178.3 | -163.3 | 163.9 | 0 | 0 | 0 | 114.2 | K1265 F1269 P1291 | K1265-I1267 PolarHBondContact O-N 2.99Å; I1267-F1269 PolarHBondContact O-N 2.73Å; I1267-P1291 HydrophobicContact CB-CB 4Å; I1267-P1291 HydrophobicContact CB-CG 4.5Å; I1267-P1291 HydrophobicContact CD1-CB 4.03Å; I1267-P1291 HydrophobicContact CG1-CB 3.92Å | ||
| 1268 | D | 87.3 | Confident | 90.7 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | trans | -80.6 | 114.8 | -177.2 | -171 | -24.2 | 0 | 0 | 0 | 111.1 | I1270 D1271 F1272 | D1268-I1270 WeakPolarHBondContact OD1-CB 3.36Å; D1268-I1270 PolarHBondContact OD1-N 3.24Å; D1268-D1271 HydrophobicContact CB-CB 4.03Å; D1268-D1271 PolarHBondContact OD1-N 2.85Å; D1268-F1272 WeakPolarHBondContact O-CB 3.38Å; D1268-F1272 PolarHBondContact O-N 3.18Å | ||
| 1269 | F | 84.7 | Confident | 90.4 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 27% | 0.272 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -73 | -30.6 | 178.8 | -79.9 | -81 | 0 | 0 | 0 | 113.6 | I1267 F1272 E1273 I1292 I1297 I1301 | I1267-F1269 PolarHBondContact O-N 2.73Å; F1269-F1272 PolarHBondContact O-N 3.14Å; F1269-E1273 VanDerWaalsContact O-CB 3.24Å; F1269-E1273 WeakPolarHBondContact O-CB 3.3Å; F1269-E1273 PolarHBondContact O-N 2.77Å; F1269-I1292 HydrophobicContact CD1-CD1 3.84Å; F1269-I1292 HydrophobicContact CD1-CG1 3.68Å; F1269-I1292 HydrophobicContact CD2-CG1 4.32Å; F1269-I1292 HydrophobicContact CE1-CD1 4.02Å; F1269-I1292 HydrophobicContact CE1-CG1 3.35Å; F1269-I1292 HydrophobicContact CE2-CG1 4.04Å; F1269-I1292 HydrophobicContact CG-CD1 4.22Å; F1269-I1292 HydrophobicContact CG-CG1 4.16Å; F1269-I1292 HydrophobicContact CZ-CG1 3.56Å; F1269-I1292 WeakPolarHBondContact CZ-O 3.45Å; F1269-I1297 HydrophobicContact CD1-CB 4.5Å; F1269-I1297 HydrophobicContact CD1-CG2 4.1Å; F1269-I1297 HydrophobicContact CE1-CB 3.71Å; F1269-I1297 HydrophobicContact CE1-CG2 3.8Å; F1269-I1297 HydrophobicContact CZ-CB 4.22Å; F1269-I1301 HydrophobicContact CD1-CD1 3.83Å |
| 1270 | I | 87.2 | Confident | 89.9 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 48% | 0.482 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.6 | -46.1 | -179.2 | -63.5 | 171.6 | 0 | 0 | 0 | 109.1 | D1268 E1273 N1274 | D1268-I1270 WeakPolarHBondContact OD1-CB 3.36Å; D1268-I1270 PolarHBondContact OD1-N 3.24Å; I1270-E1273 PolarHBondContact O-N 3.28Å; I1270-N1274 WeakPolarHBondContact O-CB 3.38Å; I1270-N1274 PolarHBondContact O-N 3.14Å; I1270-N1274 PolarHBondContact O-ND2 3.3Å; I1270-N1274 VanDerWaalsContact O-ND2 3.14Å |
| 1271 | D | 88.4 | Confident | 89.7 | Confident | 16 Ų | 16 | 53 Ų | 53 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | 174.3 | 176.3 | 60.8 | 0 | 0 | 0 | 111.5 | E1246 L1247 N1248 D1268 E1273 N1274 F1275 | E1246-D1271 WeakPolarHBondContact CA-OD2 3.38Å; L1247-D1271 PolarHBondContact N-OD2 3Å; N1248-D1271 WeakPolarHBondContact CA-OD1 3.3Å; N1248-D1271 WeakPolarHBondContact CB-OD1 3.45Å; N1248-D1271 PolarHBondContact N-OD1 2.84Å; D1268-D1271 HydrophobicContact CB-CB 4.03Å; D1268-D1271 PolarHBondContact OD1-N 2.85Å; D1271-E1273 PolarHBondContact O-N 3.14Å; D1271-N1274 PolarHBondContact O-N 3.1Å; D1271-F1275 WeakPolarHBondContact O-CB 3.41Å; D1271-F1275 PolarHBondContact O-N 3.01Å |
| 1272 | F | 90.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.1 | -174.6 | -98 | 0 | 0 | 0 | 113.5 | L1247 D1268 F1269 F1275 A1276 L1287 I1292 H1298 I1301 L1302 | L1247-F1272 HydrophobicContact CD1-CD2 3.5Å; L1247-F1272 HydrophobicContact CD1-CE2 3.88Å; D1268-F1272 WeakPolarHBondContact O-CB 3.38Å; D1268-F1272 PolarHBondContact O-N 3.18Å; F1269-F1272 PolarHBondContact O-N 3.14Å; F1272-F1275 WeakPolarHBondContact O-CB 2.99Å; F1272-F1275 PolarHBondContact O-N 3.49Å; F1272-A1276 PolarHBondContact O-N 3.38Å; F1272-L1287 HydrophobicContact CE2-CD1 3.52Å; F1272-L1287 HydrophobicContact CE2-CD2 3.97Å; F1272-L1287 HydrophobicContact CE2-CG 4.43Å; F1272-L1287 HydrophobicContact CZ-CD1 3.58Å; F1272-I1292 HydrophobicContact CB-CD1 3.28Å; F1272-I1292 HydrophobicContact CD1-CD1 3.78Å; F1272-I1292 HydrophobicContact CD2-CD1 3.72Å; F1272-I1292 HydrophobicContact CG-CD1 3.31Å; F1272-H1298 HydrophobicContact CD1-CB 4.39Å; F1272-H1298 HydrophobicContact CE1-CB 3.65Å; F1272-H1298 HydrophobicContact CZ-CB 3.81Å; F1272-I1301 HydrophobicContact CD1-CB 4.33Å; F1272-I1301 HydrophobicContact CD1-CD1 4.29Å; F1272-I1301 HydrophobicContact CD1-CG2 3.88Å; F1272-I1301 HydrophobicContact CE1-CB 4.17Å; F1272-I1301 HydrophobicContact CE1-CG2 3.99Å; F1272-L1302 HydrophobicContact CE1-CD1 4.4Å; F1272-L1302 HydrophobicContact CE1-CD2 4.05Å; F1272-L1302 HydrophobicContact CE1-CG 3.79Å; F1272-L1302 HydrophobicContact CE2-CD2 4.37Å; F1272-L1302 HydrophobicContact CZ-CD1 3.74Å; F1272-L1302 HydrophobicContact CZ-CD2 3.58Å; F1272-L1302 HydrophobicContact CZ-CG 3.49Å; F1272-L1302 VanDerWaalsContact CZ-CG 3.49Å |
| 1273 | E | 88.4 | Confident | 89.7 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.9 | -174.6 | -176.7 | 169.1 | 0 | 0 | 111.3 | F1269 I1270 D1271 F1275 A1276 K1277 I1301 Y1305 | F1269-E1273 VanDerWaalsContact O-CB 3.24Å; F1269-E1273 WeakPolarHBondContact O-CB 3.3Å; F1269-E1273 PolarHBondContact O-N 2.77Å; I1270-E1273 PolarHBondContact O-N 3.28Å; D1271-E1273 PolarHBondContact O-N 3.14Å; E1273-F1275 PolarHBondContact O-N 2.8Å; E1273-A1276 PolarHBondContact O-N 3.33Å; E1273-K1277 HydrophobicContact CG-CD 4.43Å; E1273-K1277 WeakPolarHBondContact O-CG 3.37Å; E1273-K1277 PolarHBondContact O-N 2.71Å; E1273-K1277 WeakPolarHBondContact OE1-CE 3.46Å; E1273-K1277 IonicContact OE1-NZ 3.77Å; E1273-K1277 PolarHBondContact OE1-NZ 3.27Å; E1273-I1301 HydrophobicContact CB-CG2 4.04Å; E1273-I1301 HydrophobicContact CG-CG2 4.1Å; E1273-Y1305 HydrophobicContact CG-CD2 4.01Å; E1273-Y1305 HydrophobicContact CG-CE2 3.46Å; E1273-Y1305 VanDerWaalsContact CG-CE2 3.46Å; E1273-Y1305 VanDerWaalsContact OE1-CE2 3.26Å; E1273-Y1305 WeakPolarHBondContact OE1-CE2 3.42Å; E1273-Y1305 VanDerWaalsContact OE1-CZ 3.26Å; E1273-Y1305 PolarHBondContact OE1-OH 3.24Å |
| 1274 | N | 89.4 | Confident | 89.9 | Confident | 70 Ų | 70 | 52 Ų | 52 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61 | -36.6 | 175 | -73.6 | -30.2 | 0 | 0 | 0 | 111.8 | I1270 D1271 K1278 | I1270-N1274 WeakPolarHBondContact O-CB 3.38Å; I1270-N1274 PolarHBondContact O-N 3.14Å; I1270-N1274 PolarHBondContact O-ND2 3.3Å; I1270-N1274 VanDerWaalsContact O-ND2 3.14Å; D1271-N1274 PolarHBondContact O-N 3.1Å; N1274-K1278 WeakPolarHBondContact O-CG 3.17Å; N1274-K1278 PolarHBondContact O-N 2.75Å |
| 1275 | F | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -52.8 | 171.3 | 162.6 | -93 | 0 | 0 | 0 | 112.3 | L1247 F1250 N1251 L1259 D1271 F1272 E1273 K1277 K1278 Q1279 L1282 I1285 | L1247-F1275 HydrophobicContact CB-CB 3.93Å; L1247-F1275 HydrophobicContact CB-CD1 4.48Å; L1247-F1275 HydrophobicContact CB-CD2 3.93Å; L1247-F1275 HydrophobicContact CB-CG 3.86Å; L1247-F1275 HydrophobicContact CD1-CB 4.41Å; L1247-F1275 HydrophobicContact CD1-CD1 3.64Å; L1247-F1275 HydrophobicContact CD1-CD2 4.34Å; L1247-F1275 HydrophobicContact CD1-CE1 3.91Å; L1247-F1275 HydrophobicContact CD1-CG 3.88Å; L1247-F1275 HydrophobicContact CD1-CZ 4.35Å; F1250-F1275 HydrophobicContact CB-CD2 3.92Å; F1250-F1275 HydrophobicContact CB-CE2 3.56Å; F1250-F1275 HydrophobicContact CG-CE2 4.33Å; N1251-F1275 WeakPolarHBondContact OD1-CA 3.29Å; N1251-F1275 WeakPolarHBondContact OD1-CB 3.34Å; L1259-F1275 HydrophobicContact CD2-CE2 4.21Å; L1259-F1275 HydrophobicContact CD2-CZ 3.72Å; D1271-F1275 WeakPolarHBondContact O-CB 3.41Å; D1271-F1275 PolarHBondContact O-N 3.01Å; F1272-F1275 WeakPolarHBondContact O-CB 2.99Å; F1272-F1275 PolarHBondContact O-N 3.49Å; E1273-F1275 PolarHBondContact O-N 2.8Å; F1275-K1277 VanDerWaalsContact C-N 3.3Å; F1275-K1277 PolarHBondContact O-N 3.43Å; F1275-K1278 PolarHBondContact O-N 3.13Å; F1275-Q1279 HydrophobicContact CD1-CG 4.41Å; F1275-Q1279 HydrophobicContact CD2-CG 3.68Å; F1275-Q1279 HydrophobicContact CE1-CG 4.09Å; F1275-Q1279 HydrophobicContact CE2-CG 3.3Å; F1275-Q1279 HydrophobicContact CG-CG 4.23Å; F1275-Q1279 HydrophobicContact CZ-CB 4.48Å; F1275-Q1279 HydrophobicContact CZ-CG 3.54Å; F1275-Q1279 WeakPolarHBondContact O-CG 3.28Å; F1275-Q1279 PolarHBondContact O-N 2.7Å; F1275-L1282 HydrophobicContact CE1-CD2 4.45Å; F1275-L1282 HydrophobicContact CZ-CD2 4.18Å; F1275-I1285 HydrophobicContact CE1-CD1 3.89Å; F1275-I1285 HydrophobicContact CZ-CD1 4.19Å |
| 1276 | A | 89.7 | Confident | 90 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -41.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1272 E1273 K1278 Q1279 I1301 L1302 I1306 | F1272-A1276 PolarHBondContact O-N 3.38Å; E1273-A1276 PolarHBondContact O-N 3.33Å; A1276-K1278 PolarHBondContact O-N 2.67Å; A1276-Q1279 PolarHBondContact O-N 3.34Å; A1276-I1301 HydrophobicContact CB-CG2 3.83Å; A1276-L1302 HydrophobicContact CB-CD2 4.18Å; A1276-I1306 HydrophobicContact CB-CD1 4.28Å; A1276-I1306 HydrophobicContact CB-CG1 4.13Å; A1276-I1306 VanDerWaalsContact O-CG1 3.23Å; A1276-I1306 WeakPolarHBondContact O-CG1 3.49Å |
| 1277 | K | 89.3 | Confident | 90.1 | Very high | 82 Ų | 82 | 46.8 Ų | 46.8 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.2 | -32.9 | 175.5 | -79.3 | 172.4 | -176.6 | 164.9 | 0 | 113.7 | E1273 F1275 Y1305 | E1273-K1277 HydrophobicContact CG-CD 4.43Å; E1273-K1277 WeakPolarHBondContact O-CG 3.37Å; E1273-K1277 PolarHBondContact O-N 2.71Å; E1273-K1277 WeakPolarHBondContact OE1-CE 3.46Å; E1273-K1277 IonicContact OE1-NZ 3.77Å; E1273-K1277 PolarHBondContact OE1-NZ 3.27Å; F1275-K1277 VanDerWaalsContact C-N 3.3Å; F1275-K1277 PolarHBondContact O-N 3.43Å; K1277-Y1305 HydrophobicContact CB-CD1 4.49Å; K1277-Y1305 HydrophobicContact CD-CD1 4.33Å; K1277-Y1305 HydrophobicContact CD-CE1 4.05Å; K1277-Y1305 WeakPolarHBondContact CE-OH 3.4Å; K1277-Y1305 HydrophobicContact CG-CD1 3.39Å; K1277-Y1305 HydrophobicContact CG-CD2 4.12Å; K1277-Y1305 HydrophobicContact CG-CE1 3.61Å; K1277-Y1305 HydrophobicContact CG-CE2 4.31Å; K1277-Y1305 HydrophobicContact CG-CG 3.66Å; K1277-Y1305 PolarHBondContact NZ-OH 3.31Å |
| 1278 | K | 88.3 | Confident | 90.2 | Very high | 111 Ų | 111 | 44.7 Ų | 44.7 | 48% | 0.483 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -91.6 | -29.3 | -175.8 | -68.3 | 179.4 | -175.9 | 174.6 | 0 | 112.7 | N1251 N1274 F1275 A1276 K1280 | N1251-K1278 HydrophobicContact CB-CB 4.39Å; N1251-K1278 HydrophobicContact CB-CD 3.54Å; N1251-K1278 PolarHBondContact ND2-NZ 3.29Å; N1274-K1278 WeakPolarHBondContact O-CG 3.17Å; N1274-K1278 PolarHBondContact O-N 2.75Å; F1275-K1278 PolarHBondContact O-N 3.13Å; A1276-K1278 PolarHBondContact O-N 2.67Å; K1278-K1280 PolarHBondContact O-N 3.11Å |
| 1279 | Q | 89.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -81.8 | 68.9 | -175.2 | -68.1 | -53.9 | -26 | 0 | 0 | 115.2 | F1250 L1253 F1275 A1276 N1281 L1282 I1306 | F1250-Q1279 PolarHBondContact O-NE2 3Å; L1253-Q1279 PolarHBondContact O-OE1 2.89Å; F1275-Q1279 HydrophobicContact CD1-CG 4.41Å; F1275-Q1279 HydrophobicContact CD2-CG 3.68Å; F1275-Q1279 HydrophobicContact CE1-CG 4.09Å; F1275-Q1279 HydrophobicContact CE2-CG 3.3Å; F1275-Q1279 HydrophobicContact CG-CG 4.23Å; F1275-Q1279 HydrophobicContact CZ-CB 4.48Å; F1275-Q1279 HydrophobicContact CZ-CG 3.54Å; F1275-Q1279 WeakPolarHBondContact O-CG 3.28Å; F1275-Q1279 PolarHBondContact O-N 2.7Å; A1276-Q1279 PolarHBondContact O-N 3.34Å; Q1279-N1281 VanDerWaalsContact C-N 3.34Å; Q1279-N1281 PolarHBondContact O-N 3.38Å; Q1279-L1282 HydrophobicContact CB-CB 4.15Å; Q1279-I1306 HydrophobicContact CB-CD1 3.97Å; Q1279-I1306 HydrophobicContact CB-CG1 4.35Å; Q1279-I1306 WeakPolarHBondContact O-CG1 3.45Å; Q1279-I1306 WeakPolarHBondContact O-CG2 3.39Å | ||
| 1280 | K | 86.3 | Confident | 90.6 | Very high | 135 Ų | 135 | 43.4 Ų | 43.4 | 59% | 0.587 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -25.6 | -175.3 | -62.9 | -175.7 | -178.3 | -178.7 | 0 | 115.1 | K1278 N1308 | K1278-K1280 PolarHBondContact O-N 3.11Å; K1280-N1308 WeakPolarHBondContact O-CB 3.46Å; K1280-N1308 PolarHBondContact O-ND2 3.23Å |
| 1281 | N | 90.5 | Very high | 90.7 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.7 | -173.2 | -69.4 | -28.9 | 0 | 0 | 0 | 114.1 | N1254 L1256 Q1279 Y1283 | N1254-N1281 VanDerWaalsContact O-CB 3.31Å; N1254-N1281 WeakPolarHBondContact O-CB 3.47Å; N1254-N1281 PolarHBondContact O-ND2 3.38Å; L1256-N1281 CarbonylContact O-C 3.55Å; Q1279-N1281 VanDerWaalsContact C-N 3.34Å; Q1279-N1281 PolarHBondContact O-N 3.38Å; N1281-Y1283 PolarHBondContact O-N 3.15Å |
| 1282 | L | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -65.7 | 124.4 | -179.6 | -167.3 | 70.8 | 0 | 0 | 0 | 109.8 | L1256 L1259 F1275 Q1279 I1285 I1306 N1308 I1309 | L1256-L1282 HydrophobicContact CB-CD1 4.47Å; L1256-L1282 HydrophobicContact CD2-CD1 4.13Å; L1256-L1282 HydrophobicContact CG-CD1 3.85Å; L1256-L1282 VanDerWaalsContact O-CA 3.28Å; L1256-L1282 WeakPolarHBondContact O-CA 3.44Å; L1256-L1282 PolarHBondContact O-N 2.94Å; L1259-L1282 HydrophobicContact CB-CD1 4.03Å; F1275-L1282 HydrophobicContact CE1-CD2 4.45Å; F1275-L1282 HydrophobicContact CZ-CD2 4.18Å; Q1279-L1282 HydrophobicContact CB-CB 4.15Å; L1282-I1285 HydrophobicContact CD2-CB 3.87Å; L1282-I1285 HydrophobicContact CD2-CD1 3.86Å; L1282-I1285 HydrophobicContact CD2-CG1 4.22Å; L1282-I1306 HydrophobicContact CB-CD1 4.35Å; L1282-I1306 HydrophobicContact CB-CG2 4.2Å; L1282-I1306 HydrophobicContact CD2-CD1 3.93Å; L1282-I1306 WeakPolarHBondContact O-CG2 3.36Å; L1282-N1308 CarbonylContact O-C 3.18Å; L1282-I1309 HydrophobicContact CD2-CD1 4.27Å; L1282-I1309 HydrophobicContact CG-CD1 4.12Å; L1282-I1309 WeakPolarHBondContact O-CA 3.46Å; L1282-I1309 PolarHBondContact O-N 2.93Å | ||
| 1283 | Y | 92.8 | Very high | 90.6 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | trans | -100.7 | -39.4 | -174.7 | 174.7 | -90.3 | 0 | 0 | 0 | 111.1 | K1257 N1281 Q1310 L1311 | K1257-Y1283 WeakPolarHBondContact O-CA 3.1Å; K1257-Y1283 VanDerWaalsContact O-CB 3.32Å; K1257-Y1283 WeakPolarHBondContact O-CB 3.42Å; K1257-Y1283 PolarHBondContact O-N 3.32Å; N1281-Y1283 PolarHBondContact O-N 3.15Å; Y1283-Q1310 HydrophobicContact CD2-CB 4.33Å; Y1283-Q1310 HydrophobicContact CD2-CG 3.96Å; Y1283-Q1310 HydrophobicContact CE2-CB 4.02Å; Y1283-Q1310 HydrophobicContact CE2-CG 3.69Å; Y1283-Q1310 PolarHBondContact O-N 3.21Å; Y1283-Q1310 PolarHBondContact OH-OE1 3.47Å; Y1283-L1311 HydrophobicContact CE1-CD1 4.35Å; Y1283-L1311 PolarHBondContact O-N 2.95Å | ||
| 1284 | E | 96.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 131.4 | -175.2 | 176.1 | 170.3 | -158.1 | 0 | 0 | 109.8 | K1257 R1258 L1259 Y1260 L1311 | K1257-E1284 PolarHBondContact O-N 3.48Å; R1258-E1284 WeakPolarHBondContact CA-O 3.4Å; R1258-E1284 WeakPolarHBondContact CD-OE2 3.43Å; R1258-E1284 HydrophobicContact CG-CB 4.2Å; R1258-E1284 IonicContact NE-OE2 2.79Å; R1258-E1284 PolarHBondContact NE-OE2 2.99Å; L1259-E1284 PolarHBondContact N-O 3.4Å; Y1260-E1284 HydrophobicContact CE1-CG 4.39Å; E1284-L1311 WeakPolarHBondContact CA-O 3.31Å; E1284-L1311 HydrophobicContact CB-CB 4.14Å; E1284-L1311 HydrophobicContact CG-CB 3.93Å; E1284-L1311 HydrophobicContact CG-CD1 4.38Å |
| 1285 | I | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.6 | 174 | -166.9 | 172.1 | 0 | 0 | 0 | 110.2 | L1259 F1275 L1282 L1287 L1302 I1309 L1311 I1312 D1313 | L1259-I1285 HydrophobicContact CB-CG1 4.26Å; L1259-I1285 HydrophobicContact CD2-CD1 4.16Å; L1259-I1285 HydrophobicContact CD2-CG1 4.47Å; L1259-I1285 CarbonylContact O-C 3.19Å; L1259-I1285 VanDerWaalsContact O-CA 3.28Å; L1259-I1285 WeakPolarHBondContact O-CA 3.4Å; F1275-I1285 HydrophobicContact CE1-CD1 3.89Å; F1275-I1285 HydrophobicContact CZ-CD1 4.19Å; L1282-I1285 HydrophobicContact CD2-CB 3.87Å; L1282-I1285 HydrophobicContact CD2-CD1 3.86Å; L1282-I1285 HydrophobicContact CD2-CG1 4.22Å; I1285-L1287 HydrophobicContact CD1-CD1 3.77Å; I1285-L1287 HydrophobicContact CD1-CD2 4.33Å; I1285-L1287 HydrophobicContact CD1-CG 4.01Å; I1285-L1287 HydrophobicContact CG1-CD1 4.14Å; I1285-L1287 HydrophobicContact CG1-CG 4.06Å; I1285-L1287 HydrophobicContact CG2-CD1 4.48Å; I1285-L1302 HydrophobicContact CD1-CD2 4.32Å; I1285-L1302 HydrophobicContact CG2-CD1 3.7Å; I1285-I1309 HydrophobicContact CB-CD1 4.32Å; I1285-I1309 HydrophobicContact CG2-CD1 3.86Å; I1285-L1311 PolarHBondContact N-O 3.48Å; I1285-I1312 HydrophobicContact CG2-CB 4.35Å; I1285-I1312 HydrophobicContact CG2-CG1 4.01Å; I1285-I1312 HydrophobicContact CG2-CG2 4.19Å; I1285-I1312 CarbonylContact O-C 3.34Å; I1285-I1312 VanDerWaalsContact O-CA 3.31Å; I1285-I1312 WeakPolarHBondContact O-CA 3.07Å; I1285-D1313 PolarHBondContact O-N 3.3Å |
| 1286 | S | 94.3 | Very high | 88.9 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.6 | 171 | -159 | 0 | 0 | 0 | 0 | 109.9 | L1259 I1261 D1262 | L1259-S1286 PolarHBondContact O-N 3.48Å; I1261-S1286 CarbonylContact C-O 3.19Å; I1261-S1286 WeakPolarHBondContact CG2-O 3.45Å; I1261-S1286 PolarHBondContact N-O 3.32Å; D1262-S1286 VanDerWaalsContact OD1-CB 3.26Å; D1262-S1286 WeakPolarHBondContact OD1-CB 3.29Å; D1262-S1286 PolarHBondContact OD1-OG 2.96Å; D1262-S1286 VanDerWaalsContact OD2-CB 3.26Å; D1262-S1286 WeakPolarHBondContact OD2-CB 3.46Å; D1262-S1286 PolarHBondContact OD2-OG 2.92Å |
| 1287 | L | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -125.1 | 10 | -174.6 | -72.6 | 155.4 | 0 | 0 | 0 | 111.5 | I1261 D1262 L1266 F1272 I1285 H1289 N1290 T1293 L1302 D1313 | I1261-L1287 HydrophobicContact CG2-CD2 3.46Å; I1261-L1287 VanDerWaalsContact CG2-CD2 3.46Å; I1261-L1287 HydrophobicContact CG2-CG 4.19Å; D1262-L1287 PolarHBondContact OD1-N 3.5Å; L1266-L1287 HydrophobicContact CD1-CD2 3.49Å; L1266-L1287 VanDerWaalsContact CD1-CD2 3.49Å; F1272-L1287 HydrophobicContact CE2-CD1 3.52Å; F1272-L1287 HydrophobicContact CE2-CD2 3.97Å; F1272-L1287 HydrophobicContact CE2-CG 4.43Å; F1272-L1287 HydrophobicContact CZ-CD1 3.58Å; I1285-L1287 HydrophobicContact CD1-CD1 3.77Å; I1285-L1287 HydrophobicContact CD1-CD2 4.33Å; I1285-L1287 HydrophobicContact CD1-CG 4.01Å; I1285-L1287 HydrophobicContact CG1-CD1 4.14Å; I1285-L1287 HydrophobicContact CG1-CG 4.06Å; I1285-L1287 HydrophobicContact CG2-CD1 4.48Å; L1287-H1289 PolarHBondContact O-N 2.89Å; L1287-N1290 WeakPolarHBondContact O-CB 3.15Å; L1287-N1290 PolarHBondContact O-N 3.18Å; L1287-N1290 PolarHBondContact O-ND2 3.28Å; L1287-T1293 HydrophobicContact CB-CG2 3.84Å; L1287-T1293 WeakPolarHBondContact O-CG2 3.4Å; L1287-L1302 HydrophobicContact CD1-CD1 3.76Å; L1287-D1313 WeakPolarHBondContact CA-OD1 3.37Å; L1287-D1313 PolarHBondContact N-OD1 3.41Å | ||
| 1288 | I | 89.1 | Confident | 88.4 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 35% | 0.349 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 137.6 | -172.4 | -51.9 | 177.5 | 0 | 0 | 0 | 108.8 | D1262 Y1263 N1290 D1313 | D1262-I1288 CarbonylContact C-O 3.28Å; D1262-I1288 VanDerWaalsContact CA-O 3.3Å; D1262-I1288 WeakPolarHBondContact CA-O 3.39Å; D1262-I1288 WeakPolarHBondContact OD1-CA 3.5Å; D1262-I1288 VanDerWaalsContact OD1-CB 3.3Å; D1262-I1288 WeakPolarHBondContact OD1-CB 3.49Å; D1262-I1288 WeakPolarHBondContact OD1-CG1 3.45Å; D1262-I1288 PolarHBondContact OD1-N 2.89Å; Y1263-I1288 PolarHBondContact N-O 3.32Å; I1288-N1290 VanDerWaalsContact C-N 3.3Å; I1288-N1290 PolarHBondContact O-N 3.5Å; I1288-D1313 HydrophobicContact CD1-CB 4.08Å; I1288-D1313 HydrophobicContact CG1-CB 3.67Å; I1288-D1313 PolarHBondContact N-OD1 3.17Å |
| 1289 | H | 89.6 | Confident | 88.4 | Confident | 110 Ų | 110 | 50.8 Ų | 50.8 | 51% | 0.509 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 22.3 | -177.8 | -60.2 | -71.1 | 0 | 0 | 0 | 116.1 | Y1263 L1287 | Y1263-H1289 HydrophobicContact CD1-CB 3.57Å; Y1263-H1289 AromaticContact CD1-CD2 3.97Å; Y1263-H1289 AromaticContact CD1-CG 3.86Å; Y1263-H1289 HydrophobicContact CD2-CB 4.46Å; Y1263-H1289 HydrophobicContact CE1-CB 3.72Å; Y1263-H1289 AromaticContact CE1-CD2 3.24Å; Y1263-H1289 WeakPolarHBondContact CE1-CD2 3.3Å; Y1263-H1289 AromaticContact CE1-CG 3.44Å; Y1263-H1289 VanDerWaalsContact CE1-CG 3.44Å; Y1263-H1289 AromaticContact CE1-NE2 3.88Å; Y1263-H1289 AromaticContact CE2-CD2 3.57Å; Y1263-H1289 HydrophobicContact CG-CB 3.98Å; Y1263-H1289 AromaticContact CZ-CD2 3.02Å; Y1263-H1289 AromaticContact CZ-CG 3.74Å; Y1263-H1289 AromaticContact CZ-NE2 3.59Å; Y1263-H1289 PolarHBondContact OH-CD2 2.94Å; Y1263-H1289 PolarHBondContact OH-NE2 3.32Å; Y1263-H1289 VanDerWaalsContact OH-NE2 3.12Å; L1287-H1289 PolarHBondContact O-N 2.89Å |
| 1290 | N | 91.9 | Very high | 88.3 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | trans | -90.7 | 143.3 | 160.8 | -75.7 | -86.6 | 0 | 0 | 0 | 111.5 | I1261 N1264 K1265 L1266 L1287 I1288 I1292 T1293 | I1261-N1290 PolarHBondContact O-ND2 2.73Å; N1264-N1290 VanDerWaalsContact CA-OD1 3.26Å; N1264-N1290 WeakPolarHBondContact CA-OD1 3.47Å; N1264-N1290 WeakPolarHBondContact CB-OD1 3.45Å; N1264-N1290 PolarHBondContact N-OD1 2.8Å; N1264-N1290 PolarHBondContact O-OD1 3.29Å; K1265-N1290 PolarHBondContact N-OD1 3.42Å; K1265-N1290 VanDerWaalsContact N-OD1 3.11Å; L1266-N1290 HydrophobicContact CB-CB 4.07Å; L1266-N1290 WeakPolarHBondContact CB-OD1 3.32Å; L1266-N1290 VanDerWaalsContact CG-OD1 3.27Å; L1266-N1290 WeakPolarHBondContact CG-OD1 3.49Å; L1266-N1290 PolarHBondContact N-OD1 3.22Å; L1287-N1290 WeakPolarHBondContact O-CB 3.15Å; L1287-N1290 PolarHBondContact O-N 3.18Å; L1287-N1290 PolarHBondContact O-ND2 3.28Å; I1288-N1290 VanDerWaalsContact C-N 3.3Å; I1288-N1290 PolarHBondContact O-N 3.5Å; N1290-I1292 HydrophobicContact CB-CG2 4.03Å; N1290-I1292 PolarHBondContact O-N 3.22Å; N1290-I1292 VanDerWaalsContact O-N 3.1Å; N1290-T1293 HydrophobicContact CB-CG2 4.36Å; N1290-T1293 WeakPolarHBondContact O-CB 3.36Å; N1290-T1293 PolarHBondContact O-N 3.26Å; N1290-T1293 PolarHBondContact O-OG1 2.75Å | ||
| 1291 | P | 89 | Confident | 88.4 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -49.5 | -36.2 | 176.6 | -28.1 | 31.8 | 0 | 0 | 0 | 115 | L1266 I1267 T1293 S1294 | L1266-P1291 WeakPolarHBondContact O-CB 3.39Å; L1266-P1291 WeakPolarHBondContact O-CD 3.33Å; I1267-P1291 HydrophobicContact CB-CB 4Å; I1267-P1291 HydrophobicContact CB-CG 4.5Å; I1267-P1291 HydrophobicContact CD1-CB 4.03Å; I1267-P1291 HydrophobicContact CG1-CB 3.92Å; P1291-T1293 PolarHBondContact O-N 3.22Å; P1291-S1294 WeakPolarHBondContact O-CB 3.27Å; P1291-S1294 PolarHBondContact O-N 2.98Å; P1291-S1294 PolarHBondContact O-OG 2.84Å |
| 1292 | I | 88.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -60.3 | -25.5 | 178.9 | -158.8 | 168.5 | 0 | 0 | 0 | 113.6 | L1266 F1269 F1272 N1290 S1294 H1298 | L1266-I1292 HydrophobicContact CB-CG2 4.19Å; L1266-I1292 WeakPolarHBondContact O-CB 3.38Å; L1266-I1292 PolarHBondContact O-N 3.29Å; F1269-I1292 HydrophobicContact CD1-CD1 3.84Å; F1269-I1292 HydrophobicContact CD1-CG1 3.68Å; F1269-I1292 HydrophobicContact CD2-CG1 4.32Å; F1269-I1292 HydrophobicContact CE1-CD1 4.02Å; F1269-I1292 HydrophobicContact CE1-CG1 3.35Å; F1269-I1292 HydrophobicContact CE2-CG1 4.04Å; F1269-I1292 HydrophobicContact CG-CD1 4.22Å; F1269-I1292 HydrophobicContact CG-CG1 4.16Å; F1269-I1292 HydrophobicContact CZ-CG1 3.56Å; F1269-I1292 WeakPolarHBondContact CZ-O 3.45Å; F1272-I1292 HydrophobicContact CB-CD1 3.28Å; F1272-I1292 HydrophobicContact CD1-CD1 3.78Å; F1272-I1292 HydrophobicContact CD2-CD1 3.72Å; F1272-I1292 HydrophobicContact CG-CD1 3.31Å; N1290-I1292 HydrophobicContact CB-CG2 4.03Å; N1290-I1292 PolarHBondContact O-N 3.22Å; N1290-I1292 VanDerWaalsContact O-N 3.1Å; I1292-S1294 VanDerWaalsContact C-N 3.26Å; I1292-S1294 PolarHBondContact O-N 2.96Å; I1292-H1298 HydrophobicContact CG1-CB 4.36Å; I1292-H1298 HydrophobicContact CG2-CB 4.48Å |
| 1293 | T | 86.8 | Confident | 88.1 | Confident | 32 Ų | 32 | 42.2 Ų | 42.2 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -76.4 | -11.4 | -178.5 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | L1287 N1290 P1291 K1295 Q1296 | L1287-T1293 HydrophobicContact CB-CG2 3.84Å; L1287-T1293 WeakPolarHBondContact O-CG2 3.4Å; N1290-T1293 HydrophobicContact CB-CG2 4.36Å; N1290-T1293 WeakPolarHBondContact O-CB 3.36Å; N1290-T1293 PolarHBondContact O-N 3.26Å; N1290-T1293 PolarHBondContact O-OG1 2.75Å; P1291-T1293 PolarHBondContact O-N 3.22Å; T1293-K1295 VanDerWaalsContact C-N 3.31Å; T1293-K1295 PolarHBondContact O-N 2.72Å; T1293-Q1296 PolarHBondContact O-N 2.85Å |
| 1294 | S | 82.6 | Confident | 87.9 | Confident | 96 Ų | 96 | 41.2 Ų | 41.2 | 67% | 0.671 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -59.1 | -33 | -173.6 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | P1291 I1292 | P1291-S1294 WeakPolarHBondContact O-CB 3.27Å; P1291-S1294 PolarHBondContact O-N 2.98Å; P1291-S1294 PolarHBondContact O-OG 2.84Å; I1292-S1294 VanDerWaalsContact C-N 3.26Å; I1292-S1294 PolarHBondContact O-N 2.96Å |
| 1295 | K | 76.2 | Confident | 87.6 | Confident | 153 Ų | 153 | 41.9 Ų | 41.9 | 67% | 0.665 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -104.5 | 5.3 | -179 | -64.9 | -173.3 | 177.9 | -177.5 | 0 | 113.8 | T1293 I1297 | T1293-K1295 VanDerWaalsContact C-N 3.31Å; T1293-K1295 PolarHBondContact O-N 2.72Å; K1295-I1297 HydrophobicContact CB-CD1 3.76Å; K1295-I1297 HydrophobicContact CB-CG1 3.91Å; K1295-I1297 HydrophobicContact CD-CD1 4.05Å; K1295-I1297 PolarHBondContact O-N 3.26Å |
| 1296 | Q | 75.8 | Confident | 87.4 | Confident | 120 Ų | 120 | 41.9 Ų | 41.9 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 55.9 | 1.6 | -173.1 | -60.1 | -170.7 | -18.6 | 0 | 0 | 116.3 | T1293 H1298 R1299 | T1293-Q1296 PolarHBondContact O-N 2.85Å; Q1296-H1298 PolarHBondContact O-N 2.87Å; Q1296-R1299 PolarHBondContact O-N 2.92Å; Q1296-R1299 VanDerWaalsContact O-N 3.13Å |
| 1297 | I | 82.1 | Confident | 87 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.2 | -32 | 178.2 | -63.3 | 168.8 | 0 | 0 | 0 | 110.8 | F1269 K1295 R1299 L1300 I1301 | F1269-I1297 HydrophobicContact CD1-CB 4.5Å; F1269-I1297 HydrophobicContact CD1-CG2 4.1Å; F1269-I1297 HydrophobicContact CE1-CB 3.71Å; F1269-I1297 HydrophobicContact CE1-CG2 3.8Å; F1269-I1297 HydrophobicContact CZ-CB 4.22Å; K1295-I1297 HydrophobicContact CB-CD1 3.76Å; K1295-I1297 HydrophobicContact CB-CG1 3.91Å; K1295-I1297 HydrophobicContact CD-CD1 4.05Å; K1295-I1297 PolarHBondContact O-N 3.26Å; I1297-R1299 VanDerWaalsContact C-N 3.28Å; I1297-R1299 PolarHBondContact O-N 2.89Å; I1297-L1300 WeakPolarHBondContact O-CB 3.38Å; I1297-L1300 PolarHBondContact O-N 3.25Å; I1297-L1300 VanDerWaalsContact O-N 3.11Å; I1297-I1301 HydrophobicContact CG2-CD1 3.82Å; I1297-I1301 HydrophobicContact CG2-CG1 4.21Å; I1297-I1301 WeakPolarHBondContact O-CG1 3.43Å; I1297-I1301 PolarHBondContact O-N 3.05Å |
| 1298 | H | 85.7 | Confident | 86.9 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.8 | -41.8 | 177.3 | 73.8 | -68 | 0 | 0 | 0 | 112.1 | F1272 I1292 Q1296 L1300 I1301 L1302 D1313 | F1272-H1298 HydrophobicContact CD1-CB 4.39Å; F1272-H1298 HydrophobicContact CE1-CB 3.65Å; F1272-H1298 HydrophobicContact CZ-CB 3.81Å; I1292-H1298 HydrophobicContact CG1-CB 4.36Å; I1292-H1298 HydrophobicContact CG2-CB 4.48Å; Q1296-H1298 PolarHBondContact O-N 2.87Å; H1298-L1300 VanDerWaalsContact C-N 3.32Å; H1298-L1300 PolarHBondContact O-N 3.18Å; H1298-I1301 PolarHBondContact O-N 3.5Å; H1298-L1302 WeakPolarHBondContact O-CB 3.43Å; H1298-L1302 VanDerWaalsContact O-CG 3.29Å; H1298-L1302 WeakPolarHBondContact O-CG 3.36Å; H1298-L1302 PolarHBondContact O-N 2.81Å; H1298-D1313 IonicContact CD2-OD2 3.78Å; H1298-D1313 IonicContact CE1-OD2 2.99Å; H1298-D1313 IonicContact NE2-OD2 2.92Å; H1298-D1313 PolarHBondContact NE2-OD2 2.67Å |
| 1299 | R | 88.6 | Confident | 87.1 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 178.5 | -174.1 | 173.9 | 172.6 | 94.7 | 3.5 | 110.8 | Q1296 I1297 I1303 I1312 I1315 Q1316 E1321 | Q1296-R1299 PolarHBondContact O-N 2.92Å; Q1296-R1299 VanDerWaalsContact O-N 3.13Å; I1297-R1299 VanDerWaalsContact C-N 3.28Å; I1297-R1299 PolarHBondContact O-N 2.89Å; R1299-I1303 HydrophobicContact CG-CD1 3.7Å; R1299-I1303 HydrophobicContact CG-CG1 4.41Å; R1299-I1303 WeakPolarHBondContact O-CB 3.49Å; R1299-I1303 WeakPolarHBondContact O-CD1 3.45Å; R1299-I1303 WeakPolarHBondContact O-CG1 3.43Å; R1299-I1303 PolarHBondContact O-N 3.21Å; R1299-I1312 HydrophobicContact CG-CD1 4.06Å; R1299-I1312 HydrophobicContact CG-CG2 4.47Å; R1299-I1312 PolarHBondContact NH1-O 2.9Å; R1299-I1315 PolarHBondContact NH1-O 2.92Å; R1299-Q1316 PolarHBondContact NH2-O 2.88Å; R1299-E1321 IonicContact CZ-OE1 3.62Å; R1299-E1321 IonicContact CZ-OE2 3.96Å; R1299-E1321 IonicContact NE-OE1 3.85Å; R1299-E1321 PolarHBondContact NE-OE1 2.8Å; R1299-E1321 IonicContact NE-OE2 2.58Å; R1299-E1321 IonicContact NH2-OE1 2.84Å; R1299-E1321 PolarHBondContact NH2-OE1 2.76Å; R1299-E1321 IonicContact NH2-OE2 3.44Å; R1299-E1321 PolarHBondContact NH2-OE2 3.31Å |
| 1300 | L | 86.9 | Confident | 87.3 | Confident | 19 Ų | 19 | 44.7 Ų | 44.7 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -50.2 | 175.3 | -55.7 | 176.2 | 0 | 0 | 0 | 111.5 | I1297 H1298 L1302 I1303 Y1304 I1325 L1365 I1368 | I1297-L1300 WeakPolarHBondContact O-CB 3.38Å; I1297-L1300 PolarHBondContact O-N 3.25Å; I1297-L1300 VanDerWaalsContact O-N 3.11Å; H1298-L1300 VanDerWaalsContact C-N 3.32Å; H1298-L1300 PolarHBondContact O-N 3.18Å; L1300-L1302 PolarHBondContact O-N 2.75Å; L1300-I1303 PolarHBondContact O-N 3.15Å; L1300-Y1304 WeakPolarHBondContact O-CB 3.43Å; L1300-Y1304 PolarHBondContact O-N 3.38Å; L1300-I1325 HydrophobicContact CD2-CD1 3.65Å; L1300-I1325 HydrophobicContact CD2-CG1 3.81Å; L1300-L1365 HydrophobicContact CD1-CD1 3.8Å; L1300-L1365 HydrophobicContact CD1-CD2 3.74Å; L1300-L1365 HydrophobicContact CD1-CG 4.45Å; L1300-I1368 HydrophobicContact CD2-CD1 3.5Å |
| 1301 | I | 87.7 | Confident | 87.4 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.7 | -47.4 | 179.5 | -69.1 | 171.2 | 0 | 0 | 0 | 110.8 | F1269 F1272 E1273 A1276 I1297 H1298 Y1305 | F1269-I1301 HydrophobicContact CD1-CD1 3.83Å; F1272-I1301 HydrophobicContact CD1-CB 4.33Å; F1272-I1301 HydrophobicContact CD1-CD1 4.29Å; F1272-I1301 HydrophobicContact CD1-CG2 3.88Å; F1272-I1301 HydrophobicContact CE1-CB 4.17Å; F1272-I1301 HydrophobicContact CE1-CG2 3.99Å; E1273-I1301 HydrophobicContact CB-CG2 4.04Å; E1273-I1301 HydrophobicContact CG-CG2 4.1Å; A1276-I1301 HydrophobicContact CB-CG2 3.83Å; I1297-I1301 HydrophobicContact CG2-CD1 3.82Å; I1297-I1301 HydrophobicContact CG2-CG1 4.21Å; I1297-I1301 WeakPolarHBondContact O-CG1 3.43Å; I1297-I1301 PolarHBondContact O-N 3.05Å; H1298-I1301 PolarHBondContact O-N 3.5Å; I1301-Y1305 HydrophobicContact CG2-CD2 3.98Å; I1301-Y1305 HydrophobicContact CG2-CE2 4.46Å; I1301-Y1305 WeakPolarHBondContact O-CD2 3.35Å; I1301-Y1305 PolarHBondContact O-N 3.13Å |
| 1302 | L | 90.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -48.4 | 179.5 | -72.1 | 170.7 | 0 | 0 | 0 | 112 | F1272 A1276 I1285 L1287 H1298 L1300 Y1304 I1306 I1312 | F1272-L1302 HydrophobicContact CE1-CD1 4.4Å; F1272-L1302 HydrophobicContact CE1-CD2 4.05Å; F1272-L1302 HydrophobicContact CE1-CG 3.79Å; F1272-L1302 HydrophobicContact CE2-CD2 4.37Å; F1272-L1302 HydrophobicContact CZ-CD1 3.74Å; F1272-L1302 HydrophobicContact CZ-CD2 3.58Å; F1272-L1302 HydrophobicContact CZ-CG 3.49Å; F1272-L1302 VanDerWaalsContact CZ-CG 3.49Å; A1276-L1302 HydrophobicContact CB-CD2 4.18Å; I1285-L1302 HydrophobicContact CD1-CD2 4.32Å; I1285-L1302 HydrophobicContact CG2-CD1 3.7Å; L1287-L1302 HydrophobicContact CD1-CD1 3.76Å; H1298-L1302 WeakPolarHBondContact O-CB 3.43Å; H1298-L1302 VanDerWaalsContact O-CG 3.29Å; H1298-L1302 WeakPolarHBondContact O-CG 3.36Å; H1298-L1302 PolarHBondContact O-N 2.81Å; L1300-L1302 PolarHBondContact O-N 2.75Å; L1302-Y1304 VanDerWaalsContact C-N 3.3Å; L1302-Y1304 PolarHBondContact O-N 3.14Å; L1302-I1306 HydrophobicContact CD2-CD1 3.51Å; L1302-I1306 HydrophobicContact CD2-CG1 4.49Å; L1302-I1306 WeakPolarHBondContact O-CA 3.44Å; L1302-I1306 VanDerWaalsContact O-CB 3.24Å; L1302-I1306 WeakPolarHBondContact O-CB 3.43Å; L1302-I1306 PolarHBondContact O-N 2.89Å; L1302-I1312 HydrophobicContact CB-CD1 3.72Å; L1302-I1312 HydrophobicContact CD1-CD1 3.94Å; L1302-I1312 HydrophobicContact CD1-CG1 4.15Å; L1302-I1312 HydrophobicContact CD1-CG2 3.79Å |
| 1303 | I | 88.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -38.4 | -177.8 | -66.3 | 169.6 | 0 | 0 | 0 | 111.1 | R1299 L1300 I1309 I1312 V1317 E1321 R1322 I1325 | R1299-I1303 HydrophobicContact CG-CD1 3.7Å; R1299-I1303 HydrophobicContact CG-CG1 4.41Å; R1299-I1303 WeakPolarHBondContact O-CB 3.49Å; R1299-I1303 WeakPolarHBondContact O-CD1 3.45Å; R1299-I1303 WeakPolarHBondContact O-CG1 3.43Å; R1299-I1303 PolarHBondContact O-N 3.21Å; L1300-I1303 PolarHBondContact O-N 3.15Å; I1303-I1309 HydrophobicContact CG1-CG2 4.44Å; I1303-I1312 HydrophobicContact CD1-CD1 4.25Å; I1303-I1312 HydrophobicContact CG1-CD1 3.63Å; I1303-V1317 HydrophobicContact CB-CG1 4.42Å; I1303-V1317 HydrophobicContact CD1-CB 4.48Å; I1303-V1317 HydrophobicContact CD1-CG1 3.81Å; I1303-V1317 HydrophobicContact CD1-CG2 3.96Å; I1303-V1317 HydrophobicContact CG1-CB 4.41Å; I1303-V1317 HydrophobicContact CG1-CG1 3.7Å; I1303-V1317 HydrophobicContact CG1-CG2 3.78Å; I1303-V1317 HydrophobicContact CG2-CG1 3.89Å; I1303-E1321 HydrophobicContact CD1-CG 3.82Å; I1303-E1321 VanDerWaalsContact CD1-OE1 3.32Å; I1303-E1321 WeakPolarHBondContact CD1-OE1 3.3Å; I1303-R1322 HydrophobicContact CG2-CB 3.76Å; I1303-R1322 HydrophobicContact CG2-CG 3.95Å; I1303-I1325 HydrophobicContact CB-CD1 3.86Å; I1303-I1325 HydrophobicContact CD1-CD1 3.86Å; I1303-I1325 HydrophobicContact CG1-CD1 4.47Å; I1303-I1325 HydrophobicContact CG2-CD1 3.76Å |
| 1304 | Y | 88.1 | Confident | 87.6 | Confident | 65 Ų | 65 | 46.6 Ų | 46.6 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -52.3 | 179.6 | -176.4 | -112.8 | 0 | 0 | 0 | 111.9 | L1300 L1302 I1325 I1326 Y1329 | L1300-Y1304 WeakPolarHBondContact O-CB 3.43Å; L1300-Y1304 PolarHBondContact O-N 3.38Å; L1302-Y1304 VanDerWaalsContact C-N 3.3Å; L1302-Y1304 PolarHBondContact O-N 3.14Å; Y1304-I1325 HydrophobicContact CD2-CG2 4.22Å; Y1304-I1325 HydrophobicContact CG-CG2 4.35Å; Y1304-I1326 HydrophobicContact CD2-CG1 4.19Å; Y1304-I1326 HydrophobicContact CE2-CG1 4.39Å; Y1304-Y1329 AromaticContact CD1-CD1 3.53Å; Y1304-Y1329 HydrophobicContact CD1-CD1 3.53Å; Y1304-Y1329 HydrophobicContact CD1-CD2 4.01Å; Y1304-Y1329 AromaticContact CD1-CE1 3.61Å; Y1304-Y1329 HydrophobicContact CD1-CE1 3.61Å; Y1304-Y1329 HydrophobicContact CD1-CE2 4.09Å; Y1304-Y1329 AromaticContact CD1-CG 3.74Å; Y1304-Y1329 HydrophobicContact CD1-CG 3.74Å; Y1304-Y1329 AromaticContact CD1-CZ 3.92Å; Y1304-Y1329 HydrophobicContact CD2-CD1 4.28Å; Y1304-Y1329 AromaticContact CD2-CD2 3.71Å; Y1304-Y1329 HydrophobicContact CD2-CD2 3.71Å; Y1304-Y1329 HydrophobicContact CD2-CE2 4.41Å; Y1304-Y1329 AromaticContact CD2-CG 3.65Å; Y1304-Y1329 HydrophobicContact CD2-CG 3.65Å; Y1304-Y1329 AromaticContact CE1-CD1 3.26Å; Y1304-Y1329 HydrophobicContact CE1-CD1 3.26Å; Y1304-Y1329 HydrophobicContact CE1-CD2 4.38Å; Y1304-Y1329 AromaticContact CE1-CE1 3.73Å; Y1304-Y1329 HydrophobicContact CE1-CE1 3.73Å; Y1304-Y1329 AromaticContact CE1-CG 3.65Å; Y1304-Y1329 HydrophobicContact CE1-CG 3.65Å; Y1304-Y1329 HydrophobicContact CE2-CD1 4.09Å; Y1304-Y1329 HydrophobicContact CE2-CD2 4.13Å; Y1304-Y1329 AromaticContact CE2-CG 3.58Å; Y1304-Y1329 HydrophobicContact CE2-CG 3.58Å; Y1304-Y1329 HydrophobicContact CG-CD1 4.03Å; Y1304-Y1329 AromaticContact CG-CD2 3.65Å; Y1304-Y1329 HydrophobicContact CG-CD2 3.65Å; Y1304-Y1329 HydrophobicContact CG-CE1 4.24Å; Y1304-Y1329 AromaticContact CG-CE2 3.9Å; Y1304-Y1329 HydrophobicContact CG-CE2 3.9Å; Y1304-Y1329 AromaticContact CG-CG 3.74Å; Y1304-Y1329 HydrophobicContact CG-CG 3.74Å; Y1304-Y1329 AromaticContact CZ-CD1 3.58Å; Y1304-Y1329 AromaticContact CZ-CG 3.57Å |
| 1305 | Y | 89.4 | Confident | 87.8 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -87 | -31.5 | -172 | -71.5 | -63.2 | 0 | 0 | 0 | 114 | E1273 K1277 I1301 T1307 Y1329 | E1273-Y1305 HydrophobicContact CG-CD2 4.01Å; E1273-Y1305 HydrophobicContact CG-CE2 3.46Å; E1273-Y1305 VanDerWaalsContact CG-CE2 3.46Å; E1273-Y1305 VanDerWaalsContact OE1-CE2 3.26Å; E1273-Y1305 WeakPolarHBondContact OE1-CE2 3.42Å; E1273-Y1305 VanDerWaalsContact OE1-CZ 3.26Å; E1273-Y1305 PolarHBondContact OE1-OH 3.24Å; K1277-Y1305 HydrophobicContact CB-CD1 4.49Å; K1277-Y1305 HydrophobicContact CD-CD1 4.33Å; K1277-Y1305 HydrophobicContact CD-CE1 4.05Å; K1277-Y1305 WeakPolarHBondContact CE-OH 3.4Å; K1277-Y1305 HydrophobicContact CG-CD1 3.39Å; K1277-Y1305 HydrophobicContact CG-CD2 4.12Å; K1277-Y1305 HydrophobicContact CG-CE1 3.61Å; K1277-Y1305 HydrophobicContact CG-CE2 4.31Å; K1277-Y1305 HydrophobicContact CG-CG 3.66Å; K1277-Y1305 PolarHBondContact NZ-OH 3.31Å; I1301-Y1305 HydrophobicContact CG2-CD2 3.98Å; I1301-Y1305 HydrophobicContact CG2-CE2 4.46Å; I1301-Y1305 WeakPolarHBondContact O-CD2 3.35Å; I1301-Y1305 PolarHBondContact O-N 3.13Å; Y1305-T1307 PolarHBondContact O-N 3.34Å; Y1305-Y1329 HydrophobicContact CE2-CE1 4.27Å |
| 1306 | I | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -96.3 | 93.8 | 179.8 | -53.8 | 179.2 | 0 | 0 | 0 | 110 | A1276 Q1279 L1282 L1302 N1308 I1309 | A1276-I1306 HydrophobicContact CB-CD1 4.28Å; A1276-I1306 HydrophobicContact CB-CG1 4.13Å; A1276-I1306 VanDerWaalsContact O-CG1 3.23Å; A1276-I1306 WeakPolarHBondContact O-CG1 3.49Å; Q1279-I1306 HydrophobicContact CB-CD1 3.97Å; Q1279-I1306 HydrophobicContact CB-CG1 4.35Å; Q1279-I1306 WeakPolarHBondContact O-CG1 3.45Å; Q1279-I1306 WeakPolarHBondContact O-CG2 3.39Å; L1282-I1306 HydrophobicContact CB-CD1 4.35Å; L1282-I1306 HydrophobicContact CB-CG2 4.2Å; L1282-I1306 HydrophobicContact CD2-CD1 3.93Å; L1282-I1306 WeakPolarHBondContact O-CG2 3.36Å; L1302-I1306 HydrophobicContact CD2-CD1 3.51Å; L1302-I1306 HydrophobicContact CD2-CG1 4.49Å; L1302-I1306 WeakPolarHBondContact O-CA 3.44Å; L1302-I1306 VanDerWaalsContact O-CB 3.24Å; L1302-I1306 WeakPolarHBondContact O-CB 3.43Å; L1302-I1306 PolarHBondContact O-N 2.89Å; I1306-N1308 PolarHBondContact O-N 3.31Å; I1306-N1308 VanDerWaalsContact O-N 3.16Å; I1306-I1309 HydrophobicContact CB-CB 4.03Å; I1306-I1309 HydrophobicContact CB-CG2 4.28Å; I1306-I1309 HydrophobicContact CG2-CB 3.73Å; I1306-I1309 HydrophobicContact CG2-CG2 4.44Å; I1306-I1309 VanDerWaalsContact O-CG2 3.23Å; I1306-I1309 WeakPolarHBondContact O-CG2 3.1Å; I1306-I1309 PolarHBondContact O-N 3.38Å | ||
| 1307 | T | 86.5 | Confident | 89.1 | Confident | 79 Ų | 79 | 41 Ų | 41 | 49% | 0.485 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.7 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | Y1305 R1322 | Y1305-T1307 PolarHBondContact O-N 3.34Å; T1307-R1322 PolarHBondContact O-NH1 2.83Å; T1307-R1322 PolarHBondContact O-NH2 2.94Å |
| 1308 | N | 90.8 | Very high | 89.3 | Confident | 82 Ų | 82 | 41.6 Ų | 41.6 | 44% | 0.439 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 1.3 | -178.7 | -68.4 | -39.9 | 0 | 0 | 0 | 114.5 | K1280 L1282 I1306 Q1310 | K1280-N1308 WeakPolarHBondContact O-CB 3.46Å; K1280-N1308 PolarHBondContact O-ND2 3.23Å; L1282-N1308 CarbonylContact O-C 3.18Å; I1306-N1308 PolarHBondContact O-N 3.31Å; I1306-N1308 VanDerWaalsContact O-N 3.16Å; N1308-Q1310 PolarHBondContact O-N 3.44Å |
| 1309 | I | 93 | Very high | 89.2 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | -66.9 | 128 | -176.4 | -161.2 | 71.6 | 0 | 0 | 0 | 110.4 | L1282 I1285 I1303 I1306 I1312 V1317 R1322 | L1282-I1309 HydrophobicContact CD2-CD1 4.27Å; L1282-I1309 HydrophobicContact CG-CD1 4.12Å; L1282-I1309 WeakPolarHBondContact O-CA 3.46Å; L1282-I1309 PolarHBondContact O-N 2.93Å; I1285-I1309 HydrophobicContact CB-CD1 4.32Å; I1285-I1309 HydrophobicContact CG2-CD1 3.86Å; I1303-I1309 HydrophobicContact CG1-CG2 4.44Å; I1306-I1309 HydrophobicContact CB-CB 4.03Å; I1306-I1309 HydrophobicContact CB-CG2 4.28Å; I1306-I1309 HydrophobicContact CG2-CB 3.73Å; I1306-I1309 HydrophobicContact CG2-CG2 4.44Å; I1306-I1309 VanDerWaalsContact O-CG2 3.23Å; I1306-I1309 WeakPolarHBondContact O-CG2 3.1Å; I1306-I1309 PolarHBondContact O-N 3.38Å; I1309-I1312 HydrophobicContact CD1-CG1 4.34Å; I1309-I1312 HydrophobicContact CG1-CD1 3.98Å; I1309-I1312 HydrophobicContact CG1-CG1 3.56Å; I1309-I1312 HydrophobicContact CG2-CD1 4.25Å; I1309-V1317 HydrophobicContact CG2-CG2 4.29Å; I1309-R1322 PolarHBondContact O-NH2 2.75Å | ||
| 1310 | Q | 93.2 | Very high | 89 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | trans | -116 | -34.2 | 179.2 | -64.1 | -165 | 3.7 | 0 | 0 | 112.4 | Y1283 N1308 Q1316 V1317 | Y1283-Q1310 HydrophobicContact CD2-CB 4.33Å; Y1283-Q1310 HydrophobicContact CD2-CG 3.96Å; Y1283-Q1310 HydrophobicContact CE2-CB 4.02Å; Y1283-Q1310 HydrophobicContact CE2-CG 3.69Å; Y1283-Q1310 PolarHBondContact O-N 3.21Å; Y1283-Q1310 PolarHBondContact OH-OE1 3.47Å; N1308-Q1310 PolarHBondContact O-N 3.44Å; Q1310-Q1316 CarbonylContact O-C 3.55Å; Q1310-Q1316 VanDerWaalsContact O-CA 3.26Å; Q1310-Q1316 WeakPolarHBondContact O-CA 3.38Å; Q1310-V1317 PolarHBondContact O-N 2.73Å | ||
| 1311 | L | 93.8 | Very high | 88.9 | Confident | 39 Ų | 39 | 51 Ų | 51 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.9 | -178.4 | -73.9 | 163.3 | 0 | 0 | 0 | 109.4 | Y1283 E1284 I1285 Q1316 | Y1283-L1311 HydrophobicContact CE1-CD1 4.35Å; Y1283-L1311 PolarHBondContact O-N 2.95Å; E1284-L1311 WeakPolarHBondContact CA-O 3.31Å; E1284-L1311 HydrophobicContact CB-CB 4.14Å; E1284-L1311 HydrophobicContact CG-CB 3.93Å; E1284-L1311 HydrophobicContact CG-CD1 4.38Å; I1285-L1311 PolarHBondContact N-O 3.48Å; L1311-Q1316 HydrophobicContact CD2-CB 4.26Å |
| 1312 | I | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.3 | 172.1 | -58.5 | 170 | 0 | 0 | 0 | 106.7 | I1285 R1299 L1302 I1303 I1309 G1314 I1315 V1317 | I1285-I1312 HydrophobicContact CG2-CB 4.35Å; I1285-I1312 HydrophobicContact CG2-CG1 4.01Å; I1285-I1312 HydrophobicContact CG2-CG2 4.19Å; I1285-I1312 CarbonylContact O-C 3.34Å; I1285-I1312 VanDerWaalsContact O-CA 3.31Å; I1285-I1312 WeakPolarHBondContact O-CA 3.07Å; R1299-I1312 HydrophobicContact CG-CD1 4.06Å; R1299-I1312 HydrophobicContact CG-CG2 4.47Å; R1299-I1312 PolarHBondContact NH1-O 2.9Å; L1302-I1312 HydrophobicContact CB-CD1 3.72Å; L1302-I1312 HydrophobicContact CD1-CD1 3.94Å; L1302-I1312 HydrophobicContact CD1-CG1 4.15Å; L1302-I1312 HydrophobicContact CD1-CG2 3.79Å; I1303-I1312 HydrophobicContact CD1-CD1 4.25Å; I1303-I1312 HydrophobicContact CG1-CD1 3.63Å; I1309-I1312 HydrophobicContact CD1-CG1 4.34Å; I1309-I1312 HydrophobicContact CG1-CD1 3.98Å; I1309-I1312 HydrophobicContact CG1-CG1 3.56Å; I1309-I1312 HydrophobicContact CG2-CD1 4.25Å; I1312-G1314 PolarHBondContact O-N 2.94Å; I1312-I1315 PolarHBondContact N-O 3.46Å; I1312-I1315 WeakPolarHBondContact O-CB 3.25Å; I1312-I1315 PolarHBondContact O-N 2.98Å; I1312-V1317 HydrophobicContact CD1-CG2 3.64Å; I1312-V1317 HydrophobicContact CG1-CG2 3.92Å |
| 1313 | D | 89.3 | Confident | 88.6 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 16% | 0.16 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 36.2 | 179.2 | -56.4 | -36.3 | 0 | 0 | 0 | 112 | I1285 L1287 I1288 H1298 I1315 | I1285-D1313 PolarHBondContact O-N 3.3Å; L1287-D1313 WeakPolarHBondContact CA-OD1 3.37Å; L1287-D1313 PolarHBondContact N-OD1 3.41Å; I1288-D1313 HydrophobicContact CD1-CB 4.08Å; I1288-D1313 HydrophobicContact CG1-CB 3.67Å; I1288-D1313 PolarHBondContact N-OD1 3.17Å; H1298-D1313 IonicContact CD2-OD2 3.78Å; H1298-D1313 IonicContact CE1-OD2 2.99Å; H1298-D1313 IonicContact NE2-OD2 2.92Å; H1298-D1313 PolarHBondContact NE2-OD2 2.67Å; D1313-I1315 PolarHBondContact O-N 3.45Å |
| 1314 | G | 86.5 | Confident | 88.3 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 62% | 0.619 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -2.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1312 | I1312-G1314 PolarHBondContact O-N 2.94Š|
| 1315 | I | 87.9 | Confident | 87.9 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 55% | 0.549 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127 | -178 | -56.7 | 171 | 0 | 0 | 0 | 109.9 | R1299 I1312 D1313 | R1299-I1315 PolarHBondContact NH1-O 2.92Å; I1312-I1315 PolarHBondContact N-O 3.46Å; I1312-I1315 WeakPolarHBondContact O-CB 3.25Å; I1312-I1315 PolarHBondContact O-N 2.98Å; D1313-I1315 PolarHBondContact O-N 3.45Å |
| 1316 | Q | 88.9 | Confident | 87.4 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 138.7 | -179.5 | -165.1 | 176.3 | 1.4 | 0 | 0 | 112 | R1299 Q1310 L1311 | R1299-Q1316 PolarHBondContact NH2-O 2.88Å; Q1310-Q1316 CarbonylContact O-C 3.55Å; Q1310-Q1316 VanDerWaalsContact O-CA 3.26Å; Q1310-Q1316 WeakPolarHBondContact O-CA 3.38Å; L1311-Q1316 HydrophobicContact CD2-CB 4.26Å |
| 1317 | V | 89.7 | Confident | 86.6 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -84 | 125.9 | 171.4 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | I1303 I1309 Q1310 I1312 | I1303-V1317 HydrophobicContact CB-CG1 4.42Å; I1303-V1317 HydrophobicContact CD1-CB 4.48Å; I1303-V1317 HydrophobicContact CD1-CG1 3.81Å; I1303-V1317 HydrophobicContact CD1-CG2 3.96Å; I1303-V1317 HydrophobicContact CG1-CB 4.41Å; I1303-V1317 HydrophobicContact CG1-CG1 3.7Å; I1303-V1317 HydrophobicContact CG1-CG2 3.78Å; I1303-V1317 HydrophobicContact CG2-CG1 3.89Å; I1309-V1317 HydrophobicContact CG2-CG2 4.29Å; Q1310-V1317 PolarHBondContact O-N 2.73Å; I1312-V1317 HydrophobicContact CD1-CG2 3.64Å; I1312-V1317 HydrophobicContact CG1-CG2 3.92Å |
| 1318 | T | 87.1 | Confident | 85.9 | Confident | 74 Ų | 74 | 64.5 Ų | 64.5 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -94 | 152.1 | 179.3 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | D1320 E1321 R1322 | T1318-D1320 VanDerWaalsContact C-N 3.27Å; T1318-D1320 PolarHBondContact O-N 3.09Å; T1318-E1321 PolarHBondContact O-N 3.13Å; T1318-E1321 VanDerWaalsContact OG1-CB 3.24Å; T1318-E1321 WeakPolarHBondContact OG1-CB 3.14Å; T1318-E1321 PolarHBondContact OG1-N 3.33Å; T1318-R1322 PolarHBondContact O-N 2.9Å; T1318-R1322 VanDerWaalsContact O-N 3.1Å |
| 1319 | N | 83.2 | Confident | 85 | Confident | 124 Ų | 124 | 62.1 Ų | 62.1 | 66% | 0.663 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62 | -36.2 | 177.8 | -71.6 | -14.9 | 0 | 0 | 0 | 112.1 | R1322 N1323 | N1319-R1322 PolarHBondContact O-N 3.26Å; N1319-N1323 WeakPolarHBondContact O-CB 3Å; N1319-N1323 PolarHBondContact O-N 3.23Å; N1319-N1323 PolarHBondContact O-ND2 3.1Å |
| 1320 | D | 84.1 | Confident | 83.8 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 177.3 | -67.8 | -12.6 | 0 | 0 | 0 | 111.9 | T1318 R1322 N1323 R1324 | T1318-D1320 VanDerWaalsContact C-N 3.27Å; T1318-D1320 PolarHBondContact O-N 3.09Å; D1320-R1322 VanDerWaalsContact C-N 3.33Å; D1320-R1322 PolarHBondContact O-N 3.25Å; D1320-N1323 PolarHBondContact O-N 3.19Å; D1320-R1324 WeakPolarHBondContact O-CG 3.44Å; D1320-R1324 PolarHBondContact O-N 3.49Å; D1320-R1324 VanDerWaalsContact O-N 3.08Å |
| 1321 | E | 84.9 | Confident | 82.3 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.5 | -47 | 175.3 | -179.6 | -179.4 | -157.6 | 0 | 0 | 110.5 | R1299 I1303 T1318 R1324 I1325 | R1299-E1321 IonicContact CZ-OE1 3.62Å; R1299-E1321 IonicContact CZ-OE2 3.96Å; R1299-E1321 IonicContact NE-OE1 3.85Å; R1299-E1321 PolarHBondContact NE-OE1 2.8Å; R1299-E1321 IonicContact NE-OE2 2.58Å; R1299-E1321 IonicContact NH2-OE1 2.84Å; R1299-E1321 PolarHBondContact NH2-OE1 2.76Å; R1299-E1321 IonicContact NH2-OE2 3.44Å; R1299-E1321 PolarHBondContact NH2-OE2 3.31Å; I1303-E1321 HydrophobicContact CD1-CG 3.82Å; I1303-E1321 VanDerWaalsContact CD1-OE1 3.32Å; I1303-E1321 WeakPolarHBondContact CD1-OE1 3.3Å; T1318-E1321 PolarHBondContact O-N 3.13Å; T1318-E1321 VanDerWaalsContact OG1-CB 3.24Å; T1318-E1321 WeakPolarHBondContact OG1-CB 3.14Å; T1318-E1321 PolarHBondContact OG1-N 3.33Å; E1321-R1324 PolarHBondContact O-N 3.18Å; E1321-I1325 HydrophobicContact CG-CD1 3.89Å; E1321-I1325 WeakPolarHBondContact O-CD1 3.44Å; E1321-I1325 VanDerWaalsContact O-CG1 3.26Å; E1321-I1325 WeakPolarHBondContact O-CG1 2.96Å; E1321-I1325 PolarHBondContact O-N 2.95Å; E1321-I1325 VanDerWaalsContact O-N 3.09Å |
| 1322 | R | 87.1 | Confident | 80.5 | Confident | 51 Ų | 51 | 74.2 Ų | 74.2 | 19% | 0.192 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 177.5 | -178.2 | 176 | -71.5 | -175.7 | -3.2 | 112.5 | I1303 T1307 I1309 T1318 N1319 D1320 R1324 I1325 I1326 | I1303-R1322 HydrophobicContact CG2-CB 3.76Å; I1303-R1322 HydrophobicContact CG2-CG 3.95Å; T1307-R1322 PolarHBondContact O-NH1 2.83Å; T1307-R1322 PolarHBondContact O-NH2 2.94Å; I1309-R1322 PolarHBondContact O-NH2 2.75Å; T1318-R1322 PolarHBondContact O-N 2.9Å; T1318-R1322 VanDerWaalsContact O-N 3.1Å; N1319-R1322 PolarHBondContact O-N 3.26Å; D1320-R1322 VanDerWaalsContact C-N 3.33Å; D1320-R1322 PolarHBondContact O-N 3.25Å; R1322-R1324 VanDerWaalsContact C-N 3.31Å; R1322-R1324 PolarHBondContact O-N 2.93Å; R1322-I1325 PolarHBondContact O-N 3.33Å; R1322-I1326 HydrophobicContact CG-CD1 3.77Å; R1322-I1326 HydrophobicContact CG-CG1 4.35Å; R1322-I1326 WeakPolarHBondContact O-CG1 3.09Å; R1322-I1326 PolarHBondContact O-N 2.93Å |
| 1323 | N | 84.5 | Confident | 78.3 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | -178.8 | -70.6 | -19.4 | 0 | 0 | 0 | 111.9 | N1319 D1320 I1326 Q1327 | N1319-N1323 WeakPolarHBondContact O-CB 3Å; N1319-N1323 PolarHBondContact O-N 3.23Å; N1319-N1323 PolarHBondContact O-ND2 3.1Å; D1320-N1323 PolarHBondContact O-N 3.19Å; N1323-I1326 PolarHBondContact O-N 2.82Å; N1323-Q1327 PolarHBondContact O-N 3.5Å |
| 1324 | R | 81.4 | Confident | 76.4 | Confident | 120 Ų | 120 | 82.2 Ų | 82.2 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.8 | -72.5 | -180 | -169.9 | 166.4 | 7.9 | 112.5 | D1320 E1321 R1322 Q1327 F1328 | D1320-R1324 WeakPolarHBondContact O-CG 3.44Å; D1320-R1324 PolarHBondContact O-N 3.49Å; D1320-R1324 VanDerWaalsContact O-N 3.08Å; E1321-R1324 PolarHBondContact O-N 3.18Å; R1322-R1324 VanDerWaalsContact C-N 3.31Å; R1322-R1324 PolarHBondContact O-N 2.93Å; R1324-Q1327 PolarHBondContact O-N 3.27Å; R1324-F1328 WeakPolarHBondContact O-CB 3.47Å; R1324-F1328 PolarHBondContact O-N 3.03Å |
| 1325 | I | 79.9 | Confident | 74.4 | Confident | 6 Ų | 6 | 83 Ų | 83 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 178.5 | -66.9 | 166 | 0 | 0 | 0 | 110.2 | L1300 I1303 Y1304 E1321 R1322 F1328 Y1329 | L1300-I1325 HydrophobicContact CD2-CD1 3.65Å; L1300-I1325 HydrophobicContact CD2-CG1 3.81Å; I1303-I1325 HydrophobicContact CB-CD1 3.86Å; I1303-I1325 HydrophobicContact CD1-CD1 3.86Å; I1303-I1325 HydrophobicContact CG1-CD1 4.47Å; I1303-I1325 HydrophobicContact CG2-CD1 3.76Å; Y1304-I1325 HydrophobicContact CD2-CG2 4.22Å; Y1304-I1325 HydrophobicContact CG-CG2 4.35Å; E1321-I1325 HydrophobicContact CG-CD1 3.89Å; E1321-I1325 WeakPolarHBondContact O-CD1 3.44Å; E1321-I1325 VanDerWaalsContact O-CG1 3.26Å; E1321-I1325 WeakPolarHBondContact O-CG1 2.96Å; E1321-I1325 PolarHBondContact O-N 2.95Å; E1321-I1325 VanDerWaalsContact O-N 3.09Å; R1322-I1325 PolarHBondContact O-N 3.33Å; I1325-F1328 PolarHBondContact O-N 2.94Å; I1325-Y1329 HydrophobicContact CG2-CD2 3.89Å; I1325-Y1329 HydrophobicContact CG2-CE2 4.11Å; I1325-Y1329 WeakPolarHBondContact O-CD2 3.33Å; I1325-Y1329 PolarHBondContact O-N 3.18Å |
| 1326 | I | 78.8 | Confident | 72.5 | Confident | 54 Ų | 54 | 83.1 Ų | 83.1 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 175 | -68.5 | 168.8 | 0 | 0 | 0 | 110.3 | Y1304 R1322 N1323 F1328 Y1329 E1330 | Y1304-I1326 HydrophobicContact CD2-CG1 4.19Å; Y1304-I1326 HydrophobicContact CE2-CG1 4.39Å; R1322-I1326 HydrophobicContact CG-CD1 3.77Å; R1322-I1326 HydrophobicContact CG-CG1 4.35Å; R1322-I1326 WeakPolarHBondContact O-CG1 3.09Å; R1322-I1326 PolarHBondContact O-N 2.93Å; N1323-I1326 PolarHBondContact O-N 2.82Å; I1326-F1328 VanDerWaalsContact C-N 3.33Å; I1326-F1328 PolarHBondContact O-N 3.35Å; I1326-Y1329 PolarHBondContact O-N 2.94Å; I1326-Y1329 VanDerWaalsContact O-N 3.15Å; I1326-E1330 HydrophobicContact CG2-CG 4.21Å; I1326-E1330 WeakPolarHBondContact O-CG 3.4Å; I1326-E1330 PolarHBondContact O-N 3.02Å |
| 1327 | Q | 75.6 | Confident | 70.6 | Confident | 122 Ų | 122 | 79.6 Ų | 79.6 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -57.2 | -45 | 175 | -78.8 | -178.3 | -34.2 | 0 | 0 | 112.3 | N1323 R1324 Y1329 E1330 D1331 | N1323-Q1327 PolarHBondContact O-N 3.5Å; R1324-Q1327 PolarHBondContact O-N 3.27Å; Q1327-Y1329 VanDerWaalsContact C-N 3.26Å; Q1327-Y1329 PolarHBondContact O-N 3.31Å; Q1327-E1330 PolarHBondContact O-N 3.21Å; Q1327-D1331 WeakPolarHBondContact O-CB 3.23Å; Q1327-D1331 PolarHBondContact O-N 3.22Å |
| 1328 | F | 72.2 | Confident | 68.6 | Low | 40 Ų | 40 | 83.5 Ų | 83.5 | 18% | 0.175 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60 | -35.8 | 178.3 | 178.8 | -96 | 0 | 0 | 0 | 112.9 | R1324 I1325 I1326 I1337 L1365 P1366 | R1324-F1328 WeakPolarHBondContact O-CB 3.47Å; R1324-F1328 PolarHBondContact O-N 3.03Å; I1325-F1328 PolarHBondContact O-N 2.94Å; I1326-F1328 VanDerWaalsContact C-N 3.33Å; I1326-F1328 PolarHBondContact O-N 3.35Å; F1328-I1337 HydrophobicContact CZ-CD1 4.49Å; F1328-L1365 HydrophobicContact CD1-CD2 4.32Å; F1328-L1365 HydrophobicContact CD2-CD2 4.42Å; F1328-L1365 HydrophobicContact CE1-CD2 3.8Å; F1328-L1365 HydrophobicContact CE2-CD2 3.9Å; F1328-L1365 HydrophobicContact CZ-CD2 3.56Å; F1328-P1366 HydrophobicContact CD2-CG 4.01Å |
| 1329 | Y | 70.5 | Confident | 66.5 | Low | 31 Ų | 31 | 85.7 Ų | 85.7 | 12% | 0.122 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -81.8 | -31.3 | 177.2 | -94.4 | -95.4 | 0 | 0 | 0 | 113.5 | Y1304 Y1305 I1325 I1326 Q1327 K1332 L1334 | Y1304-Y1329 AromaticContact CD1-CD1 3.53Å; Y1304-Y1329 HydrophobicContact CD1-CD1 3.53Å; Y1304-Y1329 HydrophobicContact CD1-CD2 4.01Å; Y1304-Y1329 AromaticContact CD1-CE1 3.61Å; Y1304-Y1329 HydrophobicContact CD1-CE1 3.61Å; Y1304-Y1329 HydrophobicContact CD1-CE2 4.09Å; Y1304-Y1329 AromaticContact CD1-CG 3.74Å; Y1304-Y1329 HydrophobicContact CD1-CG 3.74Å; Y1304-Y1329 AromaticContact CD1-CZ 3.92Å; Y1304-Y1329 HydrophobicContact CD2-CD1 4.28Å; Y1304-Y1329 AromaticContact CD2-CD2 3.71Å; Y1304-Y1329 HydrophobicContact CD2-CD2 3.71Å; Y1304-Y1329 HydrophobicContact CD2-CE2 4.41Å; Y1304-Y1329 AromaticContact CD2-CG 3.65Å; Y1304-Y1329 HydrophobicContact CD2-CG 3.65Å; Y1304-Y1329 AromaticContact CE1-CD1 3.26Å; Y1304-Y1329 HydrophobicContact CE1-CD1 3.26Å; Y1304-Y1329 HydrophobicContact CE1-CD2 4.38Å; Y1304-Y1329 AromaticContact CE1-CE1 3.73Å; Y1304-Y1329 HydrophobicContact CE1-CE1 3.73Å; Y1304-Y1329 AromaticContact CE1-CG 3.65Å; Y1304-Y1329 HydrophobicContact CE1-CG 3.65Å; Y1304-Y1329 HydrophobicContact CE2-CD1 4.09Å; Y1304-Y1329 HydrophobicContact CE2-CD2 4.13Å; Y1304-Y1329 AromaticContact CE2-CG 3.58Å; Y1304-Y1329 HydrophobicContact CE2-CG 3.58Å; Y1304-Y1329 HydrophobicContact CG-CD1 4.03Å; Y1304-Y1329 AromaticContact CG-CD2 3.65Å; Y1304-Y1329 HydrophobicContact CG-CD2 3.65Å; Y1304-Y1329 HydrophobicContact CG-CE1 4.24Å; Y1304-Y1329 AromaticContact CG-CE2 3.9Å; Y1304-Y1329 HydrophobicContact CG-CE2 3.9Å; Y1304-Y1329 AromaticContact CG-CG 3.74Å; Y1304-Y1329 HydrophobicContact CG-CG 3.74Å; Y1304-Y1329 AromaticContact CZ-CD1 3.58Å; Y1304-Y1329 AromaticContact CZ-CG 3.57Å; Y1305-Y1329 HydrophobicContact CE2-CE1 4.27Å; I1325-Y1329 HydrophobicContact CG2-CD2 3.89Å; I1325-Y1329 HydrophobicContact CG2-CE2 4.11Å; I1325-Y1329 WeakPolarHBondContact O-CD2 3.33Å; I1325-Y1329 PolarHBondContact O-N 3.18Å; I1326-Y1329 PolarHBondContact O-N 2.94Å; I1326-Y1329 VanDerWaalsContact O-N 3.15Å; Q1327-Y1329 VanDerWaalsContact C-N 3.26Å; Q1327-Y1329 PolarHBondContact O-N 3.31Å; Y1329-K1332 VanDerWaalsContact O-O 3.12Å; Y1329-L1334 HydrophobicContact CD1-CD1 3.48Å; Y1329-L1334 VanDerWaalsContact CD1-CD1 3.48Å; Y1329-L1334 HydrophobicContact CD1-CD2 4.48Å; Y1329-L1334 HydrophobicContact CE1-CD1 3.21Å; Y1329-L1334 HydrophobicContact CE1-CD2 3.85Å; Y1329-L1334 HydrophobicContact CE1-CG 4.16Å; Y1329-L1334 HydrophobicContact CG-CD1 4.48Å |
| 1330 | E | 69 | Low | 64.4 | Low | 143 Ų | 143 | 84.6 Ų | 84.6 | 67% | 0.668 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -71.6 | -37.2 | 176.5 | -75.6 | -177.4 | 165.9 | 0 | 0 | 112.1 | I1326 Q1327 K1332 | I1326-E1330 HydrophobicContact CG2-CG 4.21Å; I1326-E1330 WeakPolarHBondContact O-CG 3.4Å; I1326-E1330 PolarHBondContact O-N 3.02Å; Q1327-E1330 PolarHBondContact O-N 3.21Å; E1330-K1332 VanDerWaalsContact C-N 3.28Å; E1330-K1332 PolarHBondContact O-N 3.45Å |
| 1331 | D | 61.1 | Low | 62.1 | Low | 142 Ų | 142 | 82.3 Ų | 82.3 | 76% | 0.759 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -73.5 | -12.9 | -177.7 | -79 | -19.5 | 0 | 0 | 0 | 114.3 | Q1327 | Q1327-D1331 WeakPolarHBondContact O-CB 3.23Å; Q1327-D1331 PolarHBondContact O-N 3.22Å |
| 1332 | K | 55.7 | Low | 59.5 | Low | 95 Ų | 95 | 88.7 Ų | 88.7 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -132.5 | 115.3 | -178.5 | -73.6 | -174.1 | 177.5 | 179.5 | 0 | 110.5 | Y1329 E1330 L1334 I1337 | Y1329-K1332 VanDerWaalsContact O-O 3.12Å; E1330-K1332 VanDerWaalsContact C-N 3.28Å; E1330-K1332 PolarHBondContact O-N 3.45Å; K1332-L1334 PolarHBondContact O-N 3.45Å; K1332-I1337 HydrophobicContact CD-CD1 3.96Å |
| 1333 | Q | 47.7 | Very low | 56.9 | Low | 158 Ų | 158 | 93.5 Ų | 93.5 | 74% | 0.738 | 49% | 0.487 | S | S | * | . | trans | -57 | 106.5 | 165.6 | -72.3 | -171.7 | 4.6 | 0 | 0 | 108.2 | T1335 D1336 | Q1333-T1335 PolarHBondContact O-N 2.92Å; Q1333-D1336 PolarHBondContact O-N 3.42Å | ||
| 1334 | L | 48.6 | Very low | 54.3 | Low | 40 Ų | 40 | 94.6 Ų | 94.6 | 21% | 0.209 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.2 | -169.5 | -154.5 | 79 | 0 | 0 | 0 | 114.1 | Y1329 K1332 D1336 I1337 I1338 | Y1329-L1334 HydrophobicContact CD1-CD1 3.48Å; Y1329-L1334 VanDerWaalsContact CD1-CD1 3.48Å; Y1329-L1334 HydrophobicContact CD1-CD2 4.48Å; Y1329-L1334 HydrophobicContact CE1-CD1 3.21Å; Y1329-L1334 HydrophobicContact CE1-CD2 3.85Å; Y1329-L1334 HydrophobicContact CE1-CG 4.16Å; Y1329-L1334 HydrophobicContact CG-CD1 4.48Å; K1332-L1334 PolarHBondContact O-N 3.45Å; L1334-D1336 PolarHBondContact O-N 2.81Å; L1334-D1336 VanDerWaalsContact O-N 3.15Å; L1334-I1337 PolarHBondContact O-N 3.4Å; L1334-I1338 HydrophobicContact CD2-CD1 3.98Å; L1334-I1338 HydrophobicContact CG-CD1 4.37Å; L1334-I1338 PolarHBondContact O-N 3.23Å |
| 1335 | T | 45.5 | Very low | 51.9 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -53.1 | -30.8 | 173.1 | 39.5 | 0 | 0 | 0 | 0 | 112.1 | Q1333 N1339 | Q1333-T1335 PolarHBondContact O-N 2.92Å; T1335-N1339 WeakPolarHBondContact O-CA 3.32Å; T1335-N1339 WeakPolarHBondContact O-CB 3.48Å; T1335-N1339 PolarHBondContact O-N 3Å; T1335-N1339 PolarHBondContact O-ND2 3.29Å |
| 1336 | D | 47.8 | Very low | 49.6 | Very low | 110 Ų | 110 | 100.4 Ų | 100.4 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80.6 | -26 | -176.9 | -66.9 | -12.5 | 0 | 0 | 0 | 113.8 | Q1333 L1334 C1340 | Q1333-D1336 PolarHBondContact O-N 3.42Å; L1334-D1336 PolarHBondContact O-N 2.81Å; L1334-D1336 VanDerWaalsContact O-N 3.15Å; D1336-C1340 WeakPolarHBondContact O-CB 3.27Å; D1336-C1340 PolarHBondContact O-N 3.48Å; D1336-C1340 VanDerWaalsContact O-N 3.15Å; D1336-C1340 PolarHBondContact O-SG 2.92Å |
| 1337 | I | 48 | Very low | 47.2 | Very low | 59 Ų | 59 | 102.3 Ų | 102.3 | 30% | 0.303 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -82.1 | -33.6 | 176.9 | -62.2 | 179.7 | 0 | 0 | 0 | 110.9 | F1328 K1332 L1334 I1363 | F1328-I1337 HydrophobicContact CZ-CD1 4.49Å; K1332-I1337 HydrophobicContact CD-CD1 3.96Å; L1334-I1337 PolarHBondContact O-N 3.4Å; I1337-I1363 HydrophobicContact CG1-CD1 4.2Å; I1337-I1363 HydrophobicContact CG2-CD1 4.09Å |
| 1338 | I | 47.5 | Very low | 44.7 | Very low | 93 Ų | 93 | 108.1 Ų | 108.1 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -81.1 | -33.6 | 175.4 | -58.5 | 177.7 | 0 | 0 | 0 | 111.1 | L1334 | L1334-I1338 HydrophobicContact CD2-CD1 3.98Å; L1334-I1338 HydrophobicContact CG-CD1 4.37Å; L1334-I1338 PolarHBondContact O-N 3.23Å |
| 1339 | N | 43.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 65% | 0.647 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -87.8 | -4.3 | 179 | -65.1 | -26.8 | 0 | 0 | 0 | 115 | T1335 G1341 | T1335-N1339 WeakPolarHBondContact O-CA 3.32Å; T1335-N1339 WeakPolarHBondContact O-CB 3.48Å; T1335-N1339 PolarHBondContact O-N 3Å; T1335-N1339 PolarHBondContact O-ND2 3.29Å; N1339-G1341 PolarHBondContact O-N 3.18Å |
| 1340 | C | 38.9 | Very low | 40.6 | Very low | 100 Ų | 100 | 122.5 Ų | 122.5 | 68% | 0.676 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -66.8 | 81.3 | 159.4 | -82.3 | 0 | 0 | 0 | 0 | 108.4 | D1336 I1342 | D1336-C1340 WeakPolarHBondContact O-CB 3.27Å; D1336-C1340 PolarHBondContact O-N 3.48Å; D1336-C1340 VanDerWaalsContact O-N 3.15Å; D1336-C1340 PolarHBondContact O-SG 2.92Å; C1340-I1342 PolarHBondContact O-N 3.46Å |
| 1341 | G | 34.7 | Very low | 38.7 | Very low | 61 Ų | 61 | 123.6 Ų | 123.6 | 63% | 0.629 | 66% | 0.66 | S | S | * | * | trans | -58.7 | 125 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114 | N1339 | N1339-G1341 PolarHBondContact O-N 3.18Š| ||
| 1342 | I | 32 | Very low | 37.2 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | trans | -131.5 | 53.5 | 143.2 | -47.6 | -179.9 | 0 | 0 | 0 | 108.3 | C1340 | C1340-I1342 PolarHBondContact O-N 3.46Š| ||
| 1343 | I | 31 | Very low | 35.9 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | -147.6 | 95.5 | 166.1 | -50.9 | 178.4 | 0 | 0 | 0 | 109.8 | ||||
| 1344 | S | 30.3 | Very low | 34.9 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 68% | 0.681 | S | S | * | * | trans | -169 | 140 | 139.1 | 45.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1345 | S | 30.8 | Very low | 33.9 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 71% | 0.714 | S | S | * | * | trans | 67.5 | 74.4 | 175.2 | 67.4 | 0 | 0 | 0 | 0 | 119 | S1347 | S1345-S1347 PolarHBondContact O-N 3.04Å; S1345-S1347 VanDerWaalsContact O-N 3.15Å | ||
| 1346 | T | 32.5 | Very low | 33 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | 1.5 | 88.6 | 125.2 | 54.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1347 | S | 28.1 | Very low | 32 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -171.2 | 93.3 | 143.8 | 52.8 | 0 | 0 | 0 | 0 | 108.2 | S1345 | S1345-S1347 PolarHBondContact O-N 3.04Å; S1345-S1347 VanDerWaalsContact O-N 3.15Å | ||
| 1348 | W | 22.3 | Very low | 31.1 | Very low | 245 Ų | 245 | 141.9 Ų | 141.9 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | trans | -178.2 | 50.7 | 154.5 | -86.1 | -5.5 | 0 | 0 | 0 | 110.5 | N1350 | W1348-N1350 VanDerWaalsContact C-N 3.33Š| ||
| 1349 | Y | 27.3 | Very low | 30.4 | Very low | 233 Ų | 233 | 143.3 Ų | 143.3 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -92.5 | 80.7 | 141.7 | -105.8 | -87.6 | 0 | 0 | 0 | 106.1 | ||||
| 1350 | N | 30.7 | Very low | 29.7 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -178 | 118.6 | 147.5 | -87.6 | -21.2 | 0 | 0 | 0 | 110 | W1348 | W1348-N1350 VanDerWaalsContact C-N 3.33Š|
| 1351 | H | 29 | Very low | 29.1 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 82.4 | 103.3 | 167.8 | -65.9 | -50.3 | 0 | 0 | 0 | 121.8 | ||||
| 1352 | H | 28.8 | Very low | 28.9 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 50.7 | 115.4 | 134.7 | -67.1 | -63.3 | 0 | 0 | 0 | 122.8 | ||||
| 1353 | T | 28.8 | Very low | 28.8 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 33.6 | 96.8 | 134.2 | 59.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1354 | G | 27.1 | Very low | 28.9 | Very low | 74 Ų | 74 | 145.7 Ų | 145.7 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -156.3 | 108 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | M1356 | G1354-M1356 PolarHBondContact O-N 3.14Š| ||
| 1355 | K | 28 | Very low | 29.1 | Very low | 208 Ų | 208 | 143.8 Ų | 143.8 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | trans | -58.6 | 118.3 | 177.7 | -71.8 | 172.5 | 173 | 177.1 | 0 | 110.4 | ||||
| 1356 | M | 25.9 | Very low | 29.2 | Very low | 186 Ų | 186 | 143 Ų | 143 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -132 | 112.8 | 156.3 | -96.3 | -79.3 | -175.9 | 0 | 0 | 107.6 | G1354 | G1354-M1356 PolarHBondContact O-N 3.14Š| ||
| 1357 | N | 27.2 | Very low | 29.3 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -73 | 118.1 | 174.6 | -67.4 | -29.2 | 0 | 0 | 0 | 108.4 | ||||
| 1358 | N | 28.9 | Very low | 29.5 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -134.2 | 134.1 | 150.9 | -108.8 | -15.5 | 0 | 0 | 0 | 108 | I1360 | N1358-I1360 PolarHBondContact O-N 3.07Š| ||
| 1359 | P | 32.9 | Very low | 29.8 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | trans | -76.5 | 119.7 | -164.8 | 30.9 | -32.3 | 0 | 0 | 0 | 110 | C1361 | P1359-C1361 PolarHBondContact O-N 3.17Š| ||
| 1360 | I | 29.3 | Very low | 30.1 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -76.2 | 115 | 167.4 | -64.5 | 166 | 0 | 0 | 0 | 106.1 | N1358 E1362 | N1358-I1360 PolarHBondContact O-N 3.07Å; I1360-E1362 PolarHBondContact O-N 3.24Å | ||
| 1361 | C | 26.2 | Very low | 29.9 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | trans | -57.5 | 105 | 168.1 | -80.8 | 0 | 0 | 0 | 0 | 109.2 | P1359 I1363 | P1359-C1361 PolarHBondContact O-N 3.17Å; C1361-I1363 PolarHBondContact O-N 2.72Å; C1361-I1363 VanDerWaalsContact O-N 3.16Å | ||
| 1362 | E | 30.6 | Very low | 29.8 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | -62.2 | 110.3 | 164.9 | -76.1 | -177.9 | 152.3 | 0 | 0 | 108.5 | I1360 T1364 | I1360-E1362 PolarHBondContact O-N 3.24Å; E1362-T1364 PolarHBondContact O-N 3.08Å | ||
| 1363 | I | 28.6 | Very low | 29.7 | Very low | 88 Ų | 88 | 129 Ų | 129 | 45% | 0.451 | 70% | 0.704 | S | S | . | * | trans | -69.9 | 91.7 | 163.3 | -62.2 | 167.2 | 0 | 0 | 0 | 105.8 | I1337 C1361 L1365 | I1337-I1363 HydrophobicContact CG1-CD1 4.2Å; I1337-I1363 HydrophobicContact CG2-CD1 4.09Å; C1361-I1363 PolarHBondContact O-N 2.72Å; C1361-I1363 VanDerWaalsContact O-N 3.16Å; I1363-L1365 PolarHBondContact O-N 3.09Å; I1363-L1365 VanDerWaalsContact O-N 3.1Å | ||
| 1364 | T | 33.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | trans | -64.1 | 105.9 | 172.2 | 46.3 | 0 | 0 | 0 | 0 | 109 | E1362 | E1362-T1364 PolarHBondContact O-N 3.08Š| ||
| 1365 | L | 34.2 | Very low | 29.6 | Very low | 74 Ų | 74 | 134 Ų | 134 | 39% | 0.387 | 71% | 0.705 | S | S | . | * | trans | -56.5 | 132.2 | 165.4 | -77.2 | 154.5 | 0 | 0 | 0 | 108.6 | L1300 F1328 I1363 D1367 | L1300-L1365 HydrophobicContact CD1-CD1 3.8Å; L1300-L1365 HydrophobicContact CD1-CD2 3.74Å; L1300-L1365 HydrophobicContact CD1-CG 4.45Å; F1328-L1365 HydrophobicContact CD1-CD2 4.32Å; F1328-L1365 HydrophobicContact CD2-CD2 4.42Å; F1328-L1365 HydrophobicContact CE1-CD2 3.8Å; F1328-L1365 HydrophobicContact CE2-CD2 3.9Å; F1328-L1365 HydrophobicContact CZ-CD2 3.56Å; I1363-L1365 PolarHBondContact O-N 3.09Å; I1363-L1365 VanDerWaalsContact O-N 3.1Å; L1365-D1367 PolarHBondContact O-N 3.44Å | ||
| 1366 | P | 33.9 | Very low | 29.4 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 57% | 0.565 | 70% | 0.704 | S | S | * | * | trans | -63.3 | 127.6 | 177.8 | 25.6 | -31.1 | 0 | 0 | 0 | 109.2 | F1328 I1368 | F1328-P1366 HydrophobicContact CD2-CG 4.01Å; P1366-I1368 PolarHBondContact O-N 3.34Å | ||
| 1367 | D | 33.1 | Very low | 29.4 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | trans | -34.8 | 94.5 | -170.8 | -70.4 | -46 | 0 | 0 | 0 | 113.8 | L1365 N1369 | L1365-D1367 PolarHBondContact O-N 3.44Å; D1367-N1369 PolarHBondContact O-N 2.8Å | ||
| 1368 | I | 32.4 | Very low | 29.3 | Very low | 53 Ų | 53 | 129.3 Ų | 129.3 | 27% | 0.272 | 69% | 0.691 | S | S | . | * | trans | -70.9 | 91.5 | 158.2 | -52.7 | 179.8 | 0 | 0 | 0 | 104.3 | L1300 P1366 I1370 | L1300-I1368 HydrophobicContact CD2-CD1 3.5Å; P1366-I1368 PolarHBondContact O-N 3.34Å; I1368-I1370 HydrophobicContact CB-CG1 4.28Å; I1368-I1370 HydrophobicContact CG2-CD1 4.13Å; I1368-I1370 HydrophobicContact CG2-CG1 3.45Å; I1368-I1370 VanDerWaalsContact CG2-CG1 3.45Å; I1368-I1370 PolarHBondContact O-N 3.1Å | ||
| 1369 | N | 29.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -66.1 | 66.1 | 168.9 | -134.2 | -19.9 | 0 | 0 | 0 | 107.9 | D1367 K1371 | D1367-N1369 PolarHBondContact O-N 2.8Å; N1369-K1371 VanDerWaalsContact C-N 3.26Å; N1369-K1371 PolarHBondContact O-N 3.17Å | ||
| 1370 | I | 32.1 | Very low | 28.9 | Very low | 82 Ų | 82 | 132.7 Ų | 132.7 | 42% | 0.421 | 69% | 0.691 | S | S | . | * | trans | -63.5 | 102.2 | 161.3 | -54.3 | -179 | 0 | 0 | 0 | 102 | I1368 K1372 | I1368-I1370 HydrophobicContact CB-CG1 4.28Å; I1368-I1370 HydrophobicContact CG2-CD1 4.13Å; I1368-I1370 HydrophobicContact CG2-CG1 3.45Å; I1368-I1370 VanDerWaalsContact CG2-CG1 3.45Å; I1368-I1370 PolarHBondContact O-N 3.1Å; I1370-K1372 PolarHBondContact O-N 3.01Å | ||
| 1371 | K | 26.7 | Very low | 28.7 | Very low | 187 Ų | 187 | 133 Ų | 133 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | -51.7 | 94.8 | 159.7 | -82.6 | -177.4 | 175.8 | 177.8 | 0 | 105.2 | N1369 S1373 | N1369-K1371 VanDerWaalsContact C-N 3.26Å; N1369-K1371 PolarHBondContact O-N 3.17Å; K1371-S1373 PolarHBondContact O-N 3Å | ||
| 1372 | K | 27.1 | Very low | 28.7 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 81% | 0.809 | 69% | 0.692 | S | S | * | * | trans | -61.3 | 85.4 | 165.2 | -79.9 | 179.4 | 175.5 | 175.3 | 0 | 104.3 | I1370 L1374 | I1370-K1372 PolarHBondContact O-N 3.01Å; K1372-L1374 PolarHBondContact O-N 2.94Å | ||
| 1373 | S | 27.8 | Very low | 28.4 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | -63.1 | 88.2 | 161.3 | 52.9 | 0 | 0 | 0 | 0 | 105.4 | K1371 I1375 | K1371-S1373 PolarHBondContact O-N 3Å; S1373-I1375 PolarHBondContact O-N 2.62Å | ||
| 1374 | L | 26.2 | Very low | 28.4 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | trans | -4.9 | 91.7 | 154.4 | -71.3 | 150.5 | 0 | 0 | 0 | 112.8 | K1372 | K1372-L1374 PolarHBondContact O-N 2.94Š| ||
| 1375 | I | 26.7 | Very low | 28 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 82% | 0.821 | 71% | 0.713 | S | S | * | * | trans | -121.5 | 59.4 | 148.6 | -50.3 | 179.1 | 0 | 0 | 0 | 105.8 | S1373 | S1373-I1375 PolarHBondContact O-N 2.62Š| ||
| 1376 | Y | 24.4 | Very low | 27.7 | Very low | 227 Ų | 227 | 140.4 Ų | 140.4 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | trans | -95.5 | 122.4 | 155.7 | -104.6 | -80.8 | 0 | 0 | 0 | 107 | ||||
| 1377 | G | 25.6 | Very low | 27.2 | Very low | 62 Ų | 62 | 143.6 Ų | 143.6 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | trans | 87.3 | 73.9 | 155 | 0 | 0 | 0 | 0 | 0 | 115.9 | K1379 | G1377-K1379 PolarHBondContact O-N 3.24Å; G1377-K1379 VanDerWaalsContact O-N 3.16Å | ||
| 1378 | I | 25.3 | Very low | 26.9 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | trans | -76.2 | 88 | 134.1 | -61 | 178.3 | 0 | 0 | 0 | 105.2 | M1380 | I1378-M1380 PolarHBondContact O-N 3.27Å; I1378-M1380 VanDerWaalsContact O-N 3.17Å | ||
| 1379 | K | 25.7 | Very low | 26.7 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -58.9 | 110.4 | 158.3 | -80.3 | 179.6 | 172.7 | -179 | 0 | 106.1 | G1377 N1381 | G1377-K1379 PolarHBondContact O-N 3.24Å; G1377-K1379 VanDerWaalsContact O-N 3.16Å; K1379-N1381 PolarHBondContact O-N 3.28Å | ||
| 1380 | M | 26.5 | Very low | 26.5 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -61.2 | 104.7 | 160.5 | -74.4 | -74.2 | -130.3 | 0 | 0 | 106 | I1378 D1382 | I1378-M1380 PolarHBondContact O-N 3.27Å; I1378-M1380 VanDerWaalsContact O-N 3.17Å; M1380-D1382 PolarHBondContact O-N 3.29Å; M1380-D1382 VanDerWaalsContact O-N 3.12Å | ||
| 1381 | N | 25.6 | Very low | 26.2 | Very low | 146 Ų | 146 | 152.5 Ų | 152.5 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -68.8 | 109.2 | 172.3 | -86.1 | -17.3 | 0 | 0 | 0 | 108 | K1379 H1383 | K1379-N1381 PolarHBondContact O-N 3.28Å; N1381-H1383 PolarHBondContact O-N 3.19Å; N1381-H1383 VanDerWaalsContact O-N 3.12Å | ||
| 1382 | D | 25.9 | Very low | 26.2 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -58.5 | 98.2 | 165.5 | -71.7 | -44.2 | 0 | 0 | 0 | 110.9 | M1380 | M1380-D1382 PolarHBondContact O-N 3.29Å; M1380-D1382 VanDerWaalsContact O-N 3.12Å | ||
| 1383 | H | 25.1 | Very low | 26.2 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -157.5 | 99.5 | 150 | -75 | -47.1 | 0 | 0 | 0 | 105.1 | N1381 | N1381-H1383 PolarHBondContact O-N 3.19Å; N1381-H1383 VanDerWaalsContact O-N 3.12Å | ||
| 1384 | T | 28.6 | Very low | 26.1 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | -149.6 | 126 | 93.5 | 42.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1385 | H | 25.6 | Very low | 26.1 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | -49.1 | 137.9 | 165.9 | -93 | -92.2 | 0 | 0 | 0 | 114 | ||||
| 1386 | T | 26.7 | Very low | 25.9 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | trans | 71.2 | 122.7 | 133.8 | 57.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1387 | L | 24.7 | Very low | 25.9 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | 80.4 | 102.8 | 144.5 | -61.4 | 156 | 0 | 0 | 0 | 116.5 | ||||
| 1388 | L | 27.1 | Very low | 25.8 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -177.7 | 129.1 | 98.4 | -89.8 | 159 | 0 | 0 | 0 | 110.8 | |||||
| 1389 | T | 27.8 | Very low | 25.6 | Very low | 115 Ų | 115 | 154 Ų | 154 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -57.3 | 127.5 | 169.4 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1390 | N | 25 | Very low | 25.6 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | 172.7 | 141.5 | 123 | -88.7 | -24.8 | 0 | 0 | 0 | 112.6 | S1392 | N1390-S1392 PolarHBondContact O-N 3.16Š| |||
| 1391 | N | 25.8 | Very low | 25.4 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -50.5 | 125.1 | 175.9 | -64.3 | -48 | 0 | 0 | 0 | 113.6 | ||||
| 1392 | S | 26.6 | Very low | 25.3 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | -179 | 128.1 | 127.7 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | N1390 | N1390-S1392 PolarHBondContact O-N 3.16Š| |||
| 1393 | R | 26.9 | Very low | 25.3 | Very low | 234 Ų | 234 | 151 Ų | 151 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -19.2 | 124.7 | 157.4 | -61.3 | 166.5 | 179.1 | 170.2 | -2 | 113.2 | ||||
| 1394 | D | 26.5 | Very low | 25.1 | Very low | 143 Ų | 143 | 152 Ų | 152 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | -176.2 | 144.1 | 129.8 | -88.2 | -25.5 | 0 | 0 | 0 | 111.7 | |||||
| 1395 | H | 25.1 | Very low | 25.1 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | 72.9 | 76 | 166.7 | -56.3 | -47.2 | 0 | 0 | 0 | 118.8 | T1397 | H1395-T1397 PolarHBondContact O-N 3.09Š| ||
| 1396 | Q | 24.2 | Very low | 25 | Very low | 190 Ų | 190 | 156 Ų | 156 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 109.3 | 147.7 | -79.5 | -177.8 | -18.9 | 0 | 0 | 109.4 | V1398 | Q1396-V1398 PolarHBondContact O-N 3.05Š| ||
| 1397 | T | 23.4 | Very low | 25.2 | Very low | 123 Ų | 123 | 156.6 Ų | 156.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -72.2 | 105.4 | 171 | -27.3 | 0 | 0 | 0 | 0 | 108.2 | H1395 | H1395-T1397 PolarHBondContact O-N 3.09Š| ||
| 1398 | V | 23.4 | Very low | 25.2 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -83.2 | 114.3 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | Q1396 V1400 | Q1396-V1398 PolarHBondContact O-N 3.05Å; V1398-V1400 HydrophobicContact CG1-CG2 4.39Å; V1398-V1400 PolarHBondContact O-N 3.27Å | ||
| 1399 | F | 21.7 | Very low | 25.2 | Very low | 185 Ų | 185 | 156.2 Ų | 156.2 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -71.3 | 103.1 | 172.1 | -78 | -92.6 | 0 | 0 | 0 | 109.7 | ||||
| 1400 | V | 25.9 | Very low | 25 | Very low | 128 Ų | 128 | 157.6 Ų | 157.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -87.3 | 108.9 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | V1398 G1402 | V1398-V1400 HydrophobicContact CG1-CG2 4.39Å; V1398-V1400 PolarHBondContact O-N 3.27Å; V1400-G1402 PolarHBondContact O-N 3.35Å | ||
| 1401 | Y | 21.9 | Very low | 24.9 | Very low | 230 Ų | 230 | 155.4 Ų | 155.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -66.8 | 96.4 | 168.3 | -94.2 | -89.4 | 0 | 0 | 0 | 109.4 | K1403 | Y1401-K1403 PolarHBondContact O-N 3.31Š| ||
| 1402 | G | 24.1 | Very low | 24.8 | Very low | 63 Ų | 63 | 155.3 Ų | 155.3 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | trans | -69.1 | 114.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1400 Q1404 | V1400-G1402 PolarHBondContact O-N 3.35Å; G1402-Q1404 PolarHBondContact O-N 3.17Å | ||
| 1403 | K | 24.5 | Very low | 24.7 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 65% | 0.648 | 79% | 0.785 | S | S | * | * | trans | -54 | 103.9 | 162.4 | -93.8 | 174 | 173.9 | 163.6 | 0 | 108.3 | Y1401 I1405 | Y1401-K1403 PolarHBondContact O-N 3.31Å; K1403-I1405 PolarHBondContact O-N 2.98Å | ||
| 1404 | Q | 22.4 | Very low | 24.6 | Very low | 185 Ų | 185 | 152.4 Ų | 152.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -58 | 103.6 | 166.3 | -88.7 | -178.6 | -18.9 | 0 | 0 | 108.6 | G1402 R1406 | G1402-Q1404 PolarHBondContact O-N 3.17Å; Q1404-R1406 PolarHBondContact O-N 3.41Å | ||
| 1405 | I | 27.5 | Very low | 24.5 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -60.1 | 108.4 | 161.6 | -61.8 | 170.1 | 0 | 0 | 0 | 105.7 | K1403 P1407 | K1403-I1405 PolarHBondContact O-N 2.98Å; I1405-P1407 WeakPolarHBondContact O-CD 3.36Å | ||
| 1406 | R | 23 | Very low | 24.6 | Very low | 229 Ų | 229 | 153.2 Ų | 153.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -52.4 | 119.4 | 179.6 | -79.4 | -177.5 | 174.9 | 176.2 | -0.9 | 109.7 | Q1404 N1408 | Q1404-R1406 PolarHBondContact O-N 3.41Å; R1406-N1408 PolarHBondContact O-N 2.91Å; R1406-N1408 VanDerWaalsContact O-N 3.09Å | ||
| 1407 | P | 30.6 | Very low | 24.6 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -87.5 | 76.9 | -176.8 | 35.5 | -31.5 | 0 | 0 | 0 | 109 | I1405 | I1405-P1407 WeakPolarHBondContact O-CD 3.36Š| ||
| 1408 | N | 25.2 | Very low | 24.5 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -119.9 | 70.1 | 167.4 | -85 | 8.7 | 0 | 0 | 0 | 109 | R1406 | R1406-N1408 PolarHBondContact O-N 2.91Å; R1406-N1408 VanDerWaalsContact O-N 3.09Å | ||
| 1409 | I | 27.7 | Very low | 24.6 | Very low | 162 Ų | 162 | 159.5 Ų | 159.5 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -130.9 | 92.4 | 152.2 | -58.7 | 179.5 | 0 | 0 | 0 | 105 | C1411 | I1409-C1411 PolarHBondContact O-N 3.3Š| ||
| 1410 | D | 24 | Very low | 24.5 | Very low | 144 Ų | 144 | 158.4 Ų | 158.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -48.9 | 103.6 | 164 | -86.6 | -45.5 | 0 | 0 | 0 | 108.1 | H1412 | D1410-H1412 PolarHBondContact O-N 3.3Š| ||
| 1411 | C | 22.6 | Very low | 24.4 | Very low | 110 Ų | 110 | 160.2 Ų | 160.2 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -71 | 77.8 | 170.7 | -171.7 | 0 | 0 | 0 | 0 | 107.3 | I1409 I1413 | I1409-C1411 PolarHBondContact O-N 3.3Å; C1411-I1413 VanDerWaalsContact C-N 3.28Å; C1411-I1413 PolarHBondContact O-N 2.95Å | ||
| 1412 | H | 24.4 | Very low | 24.5 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -63.8 | 98.3 | 161.1 | -91.5 | -66.3 | 0 | 0 | 0 | 107.4 | D1410 N1414 | D1410-H1412 PolarHBondContact O-N 3.3Å; H1412-N1414 PolarHBondContact O-N 2.86Å | ||
| 1413 | I | 24 | Very low | 24.6 | Very low | 140 Ų | 140 | 161 Ų | 161 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | -59.7 | 82.4 | 168.7 | -61 | 166.5 | 0 | 0 | 0 | 107.7 | C1411 K1415 | C1411-I1413 VanDerWaalsContact C-N 3.28Å; C1411-I1413 PolarHBondContact O-N 2.95Å; I1413-K1415 PolarHBondContact O-N 3.28Å | ||
| 1414 | N | 25.2 | Very low | 24.7 | Very low | 146 Ų | 146 | 162.2 Ų | 162.2 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -86.1 | 98.1 | 166.9 | -99 | -21.9 | 0 | 0 | 0 | 108.5 | H1412 T1416 | H1412-N1414 PolarHBondContact O-N 2.86Å; N1414-T1416 PolarHBondContact O-N 3.37Å | ||
| 1415 | K | 23.9 | Very low | 24.8 | Very low | 194 Ų | 194 | 161.5 Ų | 161.5 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -53.9 | 100.4 | 163.3 | -74.7 | 171.8 | 172.6 | 171.8 | 0 | 110 | I1413 | I1413-K1415 PolarHBondContact O-N 3.28Š| ||
| 1416 | T | 27.4 | Very low | 24.6 | Very low | 135 Ų | 135 | 160.7 Ų | 160.7 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -124 | 105 | 154.7 | 39.4 | 0 | 0 | 0 | 0 | 109.5 | N1414 | N1414-T1416 PolarHBondContact O-N 3.37Š| ||
| 1417 | R | 23.2 | Very low | 24.6 | Very low | 233 Ų | 233 | 155 Ų | 155 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -38.2 | 132.5 | 172.3 | -82.7 | 165.8 | 152.3 | 158.8 | -8.2 | 113.7 | N1419 | R1417-N1419 PolarHBondContact O-N 2.94Š| ||
| 1418 | L | 22.8 | Very low | 24.3 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | 21.2 | 89.2 | 122.3 | -82.5 | 151.8 | 0 | 0 | 0 | 115.1 | |||||
| 1419 | N | 23.9 | Very low | 24.2 | Very low | 170 Ų | 170 | 157.9 Ų | 157.9 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -133.8 | 73.8 | 148.7 | -93 | -18 | 0 | 0 | 0 | 107.4 | R1417 | R1417-N1419 PolarHBondContact O-N 2.94Š| ||
| 1420 | M | 21 | Very low | 24 | Very low | 162 Ų | 162 | 155.5 Ų | 155.5 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -91.6 | 146.3 | 159.4 | -84 | -98.6 | -90.8 | 0 | 0 | 107.8 | ||||
| 1421 | L | 23.6 | Very low | 24 | Very low | 166 Ų | 166 | 155.6 Ų | 155.6 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | 92.7 | 84.4 | 168.1 | -56 | 160.9 | 0 | 0 | 0 | 116.9 | ||||
| 1422 | S | 23.7 | Very low | 24.2 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | 161.5 | 113.3 | 116.1 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1423 | K | 25.3 | Very low | 24.2 | Very low | 199 Ų | 199 | 155.8 Ų | 155.8 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | 155.7 | 79.7 | 153.3 | -88.5 | 169.5 | -176.7 | -175 | 0 | 109.6 | ||||
| 1424 | H | 27.4 | Very low | 24.3 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -143.1 | 81.3 | 152.6 | -88.2 | -62.4 | 0 | 0 | 0 | 108 | L1426 | H1424-L1426 PolarHBondContact O-N 3.47Š| ||
| 1425 | N | 23.5 | Very low | 24.3 | Very low | 170 Ų | 170 | 160 Ų | 160 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -73.5 | 96.7 | 157.7 | -83.2 | -13.5 | 0 | 0 | 0 | 106.8 | ||||
| 1426 | L | 24.1 | Very low | 24.5 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -92.5 | 97.1 | 168.8 | -91.3 | 151.2 | 0 | 0 | 0 | 107.9 | H1424 I1428 | H1424-L1426 PolarHBondContact O-N 3.47Å; L1426-I1428 PolarHBondContact O-N 3.49Å | ||
| 1427 | S | 23.7 | Very low | 24.4 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -71.2 | 113.8 | 165.2 | 49.7 | 0 | 0 | 0 | 0 | 109 | Q1429 | S1427-Q1429 PolarHBondContact O-N 2.94Š| ||
| 1428 | I | 23 | Very low | 24.4 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -74.3 | 103.9 | 174.5 | -61.5 | 167.4 | 0 | 0 | 0 | 107.5 | L1426 T1430 | L1426-I1428 PolarHBondContact O-N 3.49Å; I1428-T1430 HydrophobicContact CG2-CG2 4.01Å | ||
| 1429 | Q | 23.8 | Very low | 24.5 | Very low | 177 Ų | 177 | 152.8 Ų | 152.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -102.8 | 113.9 | 161.7 | -94.6 | -178.2 | -26.9 | 0 | 0 | 108.2 | S1427 | S1427-Q1429 PolarHBondContact O-N 2.94Š| ||
| 1430 | T | 24.3 | Very low | 24.5 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 69% | 0.687 | 82% | 0.82 | S | S | * | * | trans | -85.1 | 102.4 | 178.7 | 46.7 | 0 | 0 | 0 | 0 | 110 | I1428 | I1428-T1430 HydrophobicContact CG2-CG2 4.01Š| ||
| 1431 | D | 24.1 | Very low | 24.6 | Very low | 146 Ų | 146 | 154.6 Ų | 154.6 | 78% | 0.781 | 82% | 0.823 | S | S | * | * | trans | -117.3 | 81.2 | 164.8 | -84.4 | -28 | 0 | 0 | 0 | 109.2 | N1433 | D1431-N1433 PolarHBondContact O-N 3.4Š| ||
| 1432 | C | 25.2 | Very low | 24.6 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -82.1 | 87.1 | 170.6 | -71.3 | 0 | 0 | 0 | 0 | 109.7 | E1434 | C1432-E1434 PolarHBondContact O-N 3.47Š| ||
| 1433 | N | 25.9 | Very low | 24.6 | Very low | 155 Ų | 155 | 152.3 Ų | 152.3 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | trans | -92.4 | 86.1 | 166.2 | -85.6 | -35.4 | 0 | 0 | 0 | 110.1 | D1431 K1435 | D1431-N1433 PolarHBondContact O-N 3.4Å; N1433-K1435 PolarHBondContact O-N 3.38Å | ||
| 1434 | E | 25.3 | Very low | 24.5 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -77.1 | 97.7 | 166.4 | -72.4 | -176.5 | 163.5 | 0 | 0 | 110.1 | C1432 | C1432-E1434 PolarHBondContact O-N 3.47Š| ||
| 1435 | K | 25.7 | Very low | 24.3 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -139.3 | 107.1 | 160.8 | -80.8 | -174.2 | 178.5 | 175.9 | 0 | 108 | N1433 | N1433-K1435 PolarHBondContact O-N 3.38Š| ||
| 1436 | N | 27.1 | Very low | 24.4 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | 165.7 | 64.1 | 146.7 | -79.2 | -16.7 | 0 | 0 | 0 | 110.1 | ||||
| 1437 | A | 26 | Very low | 24.5 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -91.3 | 108 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | T1439 | A1437-T1439 PolarHBondContact O-N 2.88Š| ||
| 1438 | L | 23.8 | Very low | 24.7 | Very low | 169 Ų | 169 | 152.3 Ų | 152.3 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -56 | 117.1 | 176.6 | -86 | 131.8 | 0 | 0 | 0 | 111.4 | I1440 | L1438-I1440 PolarHBondContact O-N 3.08Š| ||
| 1439 | T | 24.7 | Very low | 24.8 | Very low | 133 Ų | 133 | 154.2 Ų | 154.2 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | trans | -74.9 | 111.7 | 172.7 | 19.1 | 0 | 0 | 0 | 0 | 110.6 | A1437 K1441 | A1437-T1439 PolarHBondContact O-N 2.88Å; T1439-K1441 PolarHBondContact O-N 2.86Å | ||
| 1440 | I | 24.1 | Very low | 25 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -77.9 | 108.7 | 169.4 | -64 | 175.3 | 0 | 0 | 0 | 107.9 | L1438 G1442 | L1438-I1440 PolarHBondContact O-N 3.08Å; I1440-G1442 PolarHBondContact O-N 3.02Å | ||
| 1441 | K | 22.9 | Very low | 25.2 | Very low | 201 Ų | 201 | 153.3 Ų | 153.3 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -69.2 | 106.7 | 175.6 | -77.3 | 177.7 | 171.9 | 178.4 | 0 | 110.6 | T1439 | T1439-K1441 PolarHBondContact O-N 2.86Š| ||
| 1442 | G | 24.1 | Very low | 25.3 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | -110.7 | 97.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111 | I1440 | I1440-G1442 PolarHBondContact O-N 3.02Š| ||
| 1443 | I | 22.7 | Very low | 25.3 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 29 | 109.2 | 151.5 | -53.5 | 174.4 | 0 | 0 | 0 | 118.8 | ||||
| 1444 | H | 22.8 | Very low | 25.3 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -3.9 | 108.3 | 150.5 | -71.7 | -87.5 | 0 | 0 | 0 | 119 | ||||
| 1445 | H | 24.2 | Very low | 25.3 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -133.5 | 111.1 | 132.4 | -92.7 | -71.4 | 0 | 0 | 0 | 108.2 | ||||
| 1446 | S | 25.6 | Very low | 25.3 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -76.7 | 144.7 | -178.8 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1447 | N | 26.1 | Very low | 25.2 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 81.2 | 82 | 160.9 | -59.1 | -10.6 | 0 | 0 | 0 | 117.9 | ||||
| 1448 | H | 27.2 | Very low | 25.1 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -161.8 | 79.7 | 133.8 | -98.6 | -67.4 | 0 | 0 | 0 | 109.2 | L1450 | H1448-L1450 PolarHBondContact O-N 3.44Å; H1448-L1450 VanDerWaalsContact O-N 3.11Å | ||
| 1449 | E | 25.5 | Very low | 25 | Very low | 193 Ų | 193 | 151.1 Ų | 151.1 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 98.1 | 164.2 | -75 | -176.7 | 147.3 | 0 | 0 | 109 | ||
| 1450 | L | 27.9 | Very low | 25 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -177.6 | 16.6 | 151.5 | -102 | 162.2 | 0 | 0 | 0 | 115.1 | H1448 | H1448-L1450 PolarHBondContact O-N 3.44Å; H1448-L1450 VanDerWaalsContact O-N 3.11Å |
| 1451 | V | 27.5 | Very low | 24.9 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 62% | 0.624 | 77% | 0.766 | S | S | * | * | trans | -103.1 | -2.1 | -179.4 | -173.2 | 0 | 0 | 0 | 0 | 113.8 | N1453 F1454 | V1451-N1453 VanDerWaalsContact C-N 3.28Å; V1451-N1453 PolarHBondContact O-N 3.02Å; V1451-N1453 VanDerWaalsContact O-N 3.13Å; V1451-F1454 PolarHBondContact O-N 3.35Å | ||
| 1452 | G | 26.6 | Very low | 24.9 | Very low | 69 Ų | 69 | 147.6 Ų | 147.6 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -18.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1453 | N | 26.4 | Very low | 24.8 | Very low | 154 Ų | 154 | 153 Ų | 153 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 2.4 | -175.9 | -77.7 | -16.5 | 0 | 0 | 0 | 115.4 | V1451 | V1451-N1453 VanDerWaalsContact C-N 3.28Å; V1451-N1453 PolarHBondContact O-N 3.02Å; V1451-N1453 VanDerWaalsContact O-N 3.13Å |
| 1454 | F | 25.7 | Very low | 24.9 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -93.6 | -16.7 | 178.4 | -102.8 | -82 | 0 | 0 | 0 | 115 | V1451 | V1451-F1454 PolarHBondContact O-N 3.35Š|
| 1455 | L | 25.4 | Very low | 25 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -83 | -17.6 | -176.5 | -85.4 | 157.6 | 0 | 0 | 0 | 114.5 | ||
| 1456 | H | 25.6 | Very low | 25.2 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.4 | -9.7 | -177.7 | -145.8 | 68 | 0 | 0 | 0 | 114.8 | ||
| 1457 | Y | 23.5 | Very low | 25.4 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 70% | 0.698 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -100.9 | -5.6 | 178.4 | -99.6 | -80.5 | 0 | 0 | 0 | 115.2 | ||
| 1458 | Q | 24.3 | Very low | 25.3 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -78.6 | -15.8 | 178.9 | -78.4 | -168.8 | -19.8 | 0 | 0 | 114.5 | ||
| 1459 | H | 22.4 | Very low | 25.4 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 78% | 0.782 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -91.2 | -11.2 | -174.2 | -94.3 | -64.8 | 0 | 0 | 0 | 116.4 | ||
| 1460 | Q | 24.4 | Very low | 25.4 | Very low | 170 Ų | 170 | 125.7 Ų | 125.7 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -96.4 | -8.4 | -178.1 | -81.6 | -167.8 | -13.7 | 0 | 0 | 116.1 | ||
| 1461 | Y | 22.7 | Very low | 25.3 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 57% | 0.569 | 60% | 0.601 | S | S | * | * | trans | -102.1 | 8.6 | -175.7 | -94.5 | -78.3 | 0 | 0 | 0 | 116.8 | K1463 | Y1461-K1463 PolarHBondContact O-N 2.97Š| ||
| 1462 | V | 22.9 | Very low | 25.3 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 69% | 0.685 | 61% | 0.608 | S | S | * | * | trans | -80.1 | 1.1 | -178.1 | -176 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1463 | K | 22.5 | Very low | 25.2 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -90.1 | 118.4 | 170.5 | -75.9 | -179.3 | 178.5 | 175.7 | 0 | 109.4 | Y1461 | Y1461-K1463 PolarHBondContact O-N 2.97Š|
| 1464 | Q | 24.4 | Very low | 25.2 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | trans | 95.2 | 84.6 | 168.7 | -52.2 | 178 | 13.6 | 0 | 0 | 116.5 | ||||
| 1465 | R | 24.9 | Very low | 25.2 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 50% | 0.498 | 61% | 0.613 | S | S | . | * | trans | -153.5 | 115.9 | 159.5 | -68.6 | -167.9 | 178.9 | 175.4 | -9.7 | 109.5 | E273 | E273-R1465 IonicContact OE1-NH1 3.29Å; E273-R1465 IonicContact OE2-CZ 3.68Å; E273-R1465 IonicContact OE2-NH1 3.94Å; E273-R1465 PolarHBondContact OE2-NH1 3.11Å; E273-R1465 IonicContact OE2-NH2 2.88Å | ||
| 1466 | Y | 27.6 | Very low | 25 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 32% | 0.318 | 61% | 0.614 | S | S | . | * | trans | -133.7 | 154.8 | 177.6 | -73.7 | -77.5 | 0 | 0 | 0 | 111.1 | L909 N930 N931 K955 | L909-Y1466 HydrophobicContact CD2-CG 4.47Å; N930-Y1466 PolarHBondContact O-OH 3.12Å; N931-Y1466 VanDerWaalsContact CA-OH 3.3Å; N931-Y1466 WeakPolarHBondContact CA-OH 3.29Å; N931-Y1466 HydrophobicContact CB-CE2 3.93Å; N931-Y1466 WeakPolarHBondContact ND2-CE2 3.37Å; N931-Y1466 VanDerWaalsContact OD1-CD1 3.29Å; N931-Y1466 WeakPolarHBondContact OD1-CD1 3.39Å; N931-Y1466 VanDerWaalsContact OD1-CD2 3.3Å; N931-Y1466 WeakPolarHBondContact OD1-CD2 3.43Å; N931-Y1466 WeakPolarHBondContact OD1-CE1 3.45Å; N931-Y1466 WeakPolarHBondContact OD1-CE2 3.49Å; N931-Y1466 PolarHBondContact OD1-OH 2.61Å; N931-Y1466 VanDerWaalsContact OD1-OH 3.11Å; K955-Y1466 WeakPolarHBondContact CD-OH 3.43Å; K955-Y1466 WeakPolarHBondContact CE-OH 3.4Å; K955-Y1466 VanDerWaalsContact NZ-CZ 3.31Å; K955-Y1466 PolarHBondContact NZ-OH 3.05Å | ||
| 1467 | Q | 30.5 | Very low | 25 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | trans | 82.1 | 136.2 | 173.9 | -65.2 | -172.6 | -15.1 | 0 | 0 | 118.8 | K269 | K269-Q1467 PolarHBondContact NZ-O 2.82Å; K269-Q1467 VanDerWaalsContact NZ-O 3.13Å | ||
| 1468 | C | 23.9 | Very low | 25 | Very low | 43 Ų | 43 | 122.5 Ų | 122.5 | 29% | 0.291 | 60% | 0.598 | S | S | . | * | trans | -96.8 | 148.4 | 168 | -72.8 | 0 | 0 | 0 | 0 | 108.7 | I265 | I265-C1468 WeakPolarHBondContact CG2-SG 3.29Š| ||
| 1469 | S | 27.9 | Very low | 24.9 | Very low | 28 Ų | 28 | 119.5 Ų | 119.5 | 20% | 0.196 | 58% | 0.584 | C | S | . | * | trans | -106.8 | 105.3 | -176.3 | 34.6 | 0 | 0 | 0 | 0 | 112.1 | N343 K758 | N343-S1469 PolarHBondContact ND2-OG 3.23Å; N343-S1469 PolarHBondContact OD1-O 3Å; N343-S1469 PolarHBondContact OD1-OG 3.35Å; K758-S1469 VanDerWaalsContact CE-CA 3.42Å; K758-S1469 VanDerWaalsContact CE-CB 3.48Å | ||
| 1470 | T | 26.3 | Very low | 25 | Very low | 78 Ų | 78 | 115.1 Ų | 115.1 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | trans | -58.5 | 149.2 | 156.6 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | K758 | K758-T1470 WeakPolarHBondContact CE-O 3.49Å; K758-T1470 PolarHBondContact NZ-O 2.93Å; K758-T1470 PolarHBondContact NZ-OG1 2.91Å | ||
| 1471 | P | 26 | Very low | 25 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | trans | -74.6 | 157.1 | -156.7 | 11.4 | -2.3 | 0 | 0 | 0 | 115 | I1473 | P1471-I1473 PolarHBondContact O-N 3Š| ||
| 1472 | D | 26.5 | Very low | 25.1 | Very low | 146 Ų | 146 | 112 Ų | 112 | 78% | 0.781 | 57% | 0.567 | S | S | * | * | trans | -63.2 | 97 | 177.1 | -80.6 | -38.5 | 0 | 0 | 0 | 111.7 | K1474 | D1472-K1474 VanDerWaalsContact C-N 3.34Å; D1472-K1474 PolarHBondContact O-N 2.9Å | ||
| 1473 | I | 25.1 | Very low | 25 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | trans | -78.2 | 86 | 172 | -59.9 | 169.8 | 0 | 0 | 0 | 108.8 | P1471 K1475 L1476 | P1471-I1473 PolarHBondContact O-N 3Å; I1473-K1475 PolarHBondContact O-N 3.42Å; I1473-L1476 HydrophobicContact CG2-CB 3.57Å; I1473-L1476 HydrophobicContact CG2-CD1 3.56Å; I1473-L1476 HydrophobicContact CG2-CG 3.95Å | ||
| 1474 | K | 26.2 | Very low | 25 | Very low | 193 Ų | 193 | 112.2 Ų | 112.2 | 84% | 0.839 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 115.4 | 162.1 | -77.4 | 179.9 | 178.6 | 173 | 0 | 108.3 | D1472 | D1472-K1474 VanDerWaalsContact C-N 3.34Å; D1472-K1474 PolarHBondContact O-N 2.9Å |
| 1475 | K | 26.4 | Very low | 25 | Very low | 209 Ų | 209 | 116.7 Ų | 116.7 | 91% | 0.909 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.6 | 44.4 | 168.5 | -62.1 | -175.4 | 174 | -179.7 | 0 | 118.4 | I1473 | I1473-K1475 PolarHBondContact O-N 3.42Š|
| 1476 | L | 21.9 | Very low | 25.2 | Very low | 131 Ų | 131 | 114.8 Ų | 114.8 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | trans | -104.2 | 112.8 | 149.6 | -80.4 | 149.5 | 0 | 0 | 0 | 108.2 | I1473 I1478 | I1473-L1476 HydrophobicContact CG2-CB 3.57Å; I1473-L1476 HydrophobicContact CG2-CD1 3.56Å; I1473-L1476 HydrophobicContact CG2-CG 3.95Å; L1476-I1478 PolarHBondContact O-N 3.1Å | ||
| 1477 | S | 24.5 | Very low | 25.1 | Very low | 84 Ų | 84 | 118.7 Ų | 118.7 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | trans | -49.3 | 125.7 | 162.9 | 42.8 | 0 | 0 | 0 | 0 | 107.9 | H1479 | S1477-H1479 PolarHBondContact O-N 3.48Š| ||
| 1478 | I | 23.5 | Very low | 25 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 59% | 0.59 | 61% | 0.61 | S | S | * | * | trans | -67.6 | 79.1 | 166.9 | -58.1 | 167.9 | 0 | 0 | 0 | 105.4 | L790 L1476 S1480 | L790-I1478 HydrophobicContact CD1-CD1 4.29Å; L790-I1478 HydrophobicContact CD2-CD1 3.27Å; L790-I1478 HydrophobicContact CG-CD1 4.22Å; L1476-I1478 PolarHBondContact O-N 3.1Å; I1478-S1480 VanDerWaalsContact C-N 3.3Å; I1478-S1480 PolarHBondContact O-N 3.15Å | ||
| 1479 | H | 21.8 | Very low | 25.4 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 37% | 0.366 | 63% | 0.63 | S | S | . | * | trans | -65.9 | 109.3 | 144.8 | -70.5 | -52.9 | 0 | 0 | 0 | 103.4 | S1477 F1481 P1484 | S1477-H1479 PolarHBondContact O-N 3.48Å; H1479-F1481 PolarHBondContact O-N 3.42Å; H1479-P1484 VanDerWaalsContact CD2-CG 3.47Å; H1479-P1484 WeakPolarHBondContact CD2-CG 3.46Å; H1479-P1484 VanDerWaalsContact NE2-CB 3.33Å; H1479-P1484 WeakPolarHBondContact NE2-CB 3.38Å | ||
| 1480 | S | 24.9 | Very low | 25.6 | Very low | 76 Ų | 76 | 128 Ų | 128 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | trans | -27.3 | 126.4 | 146.8 | 44.9 | 0 | 0 | 0 | 0 | 107 | I1478 T1482 | I1478-S1480 VanDerWaalsContact C-N 3.3Å; I1478-S1480 PolarHBondContact O-N 3.15Å; S1480-T1482 CarbonylContact O-C 3.56Å; S1480-T1482 VanDerWaalsContact O-CA 3.28Å; S1480-T1482 WeakPolarHBondContact O-CA 3.35Å; S1480-T1482 WeakPolarHBondContact O-CB 3.41Å; S1480-T1482 PolarHBondContact O-N 2.59Å; S1480-T1482 PolarHBondContact O-OG1 3.26Å; S1480-T1482 PolarHBondContact OG-OG1 3.49Å | ||
| 1481 | F | 25.4 | Very low | 25.9 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 75% | 0.746 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -49.8 | 71.4 | -174.3 | -80.4 | -94.1 | 0 | 0 | 0 | 113.2 | H1479 | H1479-F1481 PolarHBondContact O-N 3.42Š|
| 1482 | T | 24.5 | Very low | 26.4 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -165.7 | 120.2 | -166.4 | 55.1 | 0 | 0 | 0 | 0 | 102.7 | S1480 | S1480-T1482 CarbonylContact O-C 3.56Å; S1480-T1482 VanDerWaalsContact O-CA 3.28Å; S1480-T1482 WeakPolarHBondContact O-CA 3.35Å; S1480-T1482 WeakPolarHBondContact O-CB 3.41Å; S1480-T1482 PolarHBondContact O-N 2.59Å; S1480-T1482 PolarHBondContact O-OG1 3.26Å; S1480-T1482 PolarHBondContact OG-OG1 3.49Å |
| 1483 | R | 20.4 | Very low | 26.7 | Very low | 224 Ų | 224 | 129.6 Ų | 129.6 | 85% | 0.845 | 65% | 0.653 | S | S | * | * | trans | -41.8 | 145 | -170.1 | -80.5 | 174.5 | 167.3 | 170.7 | -3.7 | 113.9 | Y1485 | R1483-Y1485 PolarHBondContact O-N 3.35Å; R1483-Y1485 VanDerWaalsContact O-N 3.13Å | ||
| 1484 | P | 22.4 | Very low | 26.9 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 49% | 0.494 | 66% | 0.656 | S | S | . | * | trans | -52.8 | 117.4 | 170.1 | -18.4 | 27.3 | 0 | 0 | 0 | 111.5 | H1479 S1486 | H1479-P1484 VanDerWaalsContact CD2-CG 3.47Å; H1479-P1484 WeakPolarHBondContact CD2-CG 3.46Å; H1479-P1484 VanDerWaalsContact NE2-CB 3.33Å; H1479-P1484 WeakPolarHBondContact NE2-CB 3.38Å; P1484-S1486 PolarHBondContact O-N 3.35Å | ||
| 1485 | Y | 25.5 | Very low | 27.3 | Very low | 215 Ų | 215 | 128.4 Ų | 128.4 | 84% | 0.843 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -72.7 | 66.5 | 166.3 | -92.7 | -89.7 | 0 | 0 | 0 | 110.1 | R1483 | R1483-Y1485 PolarHBondContact O-N 3.35Å; R1483-Y1485 VanDerWaalsContact O-N 3.13Å |
| 1486 | S | 27.4 | Very low | 27.8 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -158.5 | 43.8 | 167.5 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | P1484 | P1484-S1486 PolarHBondContact O-N 3.35Š| ||
| 1487 | Q | 25.4 | Very low | 28.3 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | trans | -138.8 | 18.5 | 161.6 | -76.1 | -161.4 | -4.9 | 0 | 0 | 114.2 | S1489 | Q1487-S1489 PolarHBondContact O-N 3.06Š| ||
| 1488 | T | 29.2 | Very low | 28.5 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 64% | 0.638 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -12.3 | 173.5 | 40.6 | 0 | 0 | 0 | 0 | 113.7 | K1490 | T1488-K1490 PolarHBondContact O-N 3.39Š|
| 1489 | S | 32.6 | Very low | 28.7 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -4.5 | 178.5 | 62.3 | 0 | 0 | 0 | 0 | 115.8 | Q1487 | Q1487-S1489 PolarHBondContact O-N 3.06Š|
| 1490 | K | 31.3 | Very low | 29.1 | Very low | 157 Ų | 157 | 137 Ų | 137 | 68% | 0.683 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -11.3 | 172.2 | -94.5 | -176.2 | 176.1 | 179.7 | 0 | 114.9 | T1488 | T1488-K1490 PolarHBondContact O-N 3.39Š|
| 1491 | V | 32.3 | Very low | 29.3 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 50% | 0.497 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -76.8 | -28.2 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | Q1493 L1494 K1495 | V1491-Q1493 VanDerWaalsContact C-N 3.34Å; V1491-Q1493 PolarHBondContact O-N 2.85Å; V1491-L1494 PolarHBondContact O-N 3.08Å; V1491-K1495 PolarHBondContact O-N 2.9Å |
| 1492 | D | 37.2 | Very low | 29.3 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.6 | -20.5 | 176.6 | -72.5 | -23.6 | 0 | 0 | 0 | 113.6 | ||
| 1493 | Q | 33.1 | Very low | 29.4 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -80 | -18.4 | 170.6 | -76 | -171.2 | -16.4 | 0 | 0 | 113.7 | V1491 S1496 | V1491-Q1493 VanDerWaalsContact C-N 3.34Å; V1491-Q1493 PolarHBondContact O-N 2.85Å; Q1493-S1496 PolarHBondContact O-OG 3.46Å |
| 1494 | L | 29.6 | Very low | 29.8 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -91 | -12.7 | 175.2 | -79.4 | 165.3 | 0 | 0 | 0 | 113.4 | V1491 | V1491-L1494 PolarHBondContact O-N 3.08Å |
| 1495 | K | 33.6 | Very low | 30 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -84.4 | -18.2 | 172.1 | -79.4 | -177.7 | 177.6 | 174.4 | 0 | 114 | V1491 | V1491-K1495 PolarHBondContact O-N 2.9Å |
| 1496 | S | 38.1 | Very low | 29.9 | Very low | 86 Ų | 86 | 141.9 Ų | 141.9 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -11.3 | 176.7 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | Q1493 | Q1493-S1496 PolarHBondContact O-OG 3.46Š|
| 1497 | L | 30.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 10.2 | -178.9 | -79.1 | 165.9 | 0 | 0 | 0 | 115.6 | ||
| 1498 | K | 28.9 | Very low | 30.1 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -116 | 18.8 | 173.2 | -82.3 | -168.4 | 176.7 | -175.2 | 0 | 115.1 | ||
| 1499 | R | 29.6 | Very low | 30 | Very low | 222 Ų | 222 | 147.9 Ų | 147.9 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -122.6 | 72.3 | 166.1 | -76.7 | -174.1 | 176.2 | 171.3 | -0.8 | 109.7 | ||
| 1500 | N | 29 | Very low | 29.6 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -174.8 | 93.7 | 155.8 | -90.8 | -18.2 | 0 | 0 | 0 | 106.9 | ||||
| 1501 | N | 29.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | 178.8 | 63.9 | 151 | -87 | -12.3 | 0 | 0 | 0 | 108 | ||||
| 1502 | N | 24.7 | Very low | 28.8 | Very low | 152 Ų | 152 | 154.8 Ų | 154.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -94.7 | 126.3 | 154.8 | -87.4 | -12.8 | 0 | 0 | 0 | 106.4 | ||||
| 1503 | N | 27.7 | Very low | 28.2 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | 133 | 95.9 | 159.4 | -68.5 | -14.9 | 0 | 0 | 0 | 110.4 | ||||
| 1504 | N | 28.9 | Very low | 27.8 | Very low | 168 Ų | 168 | 157.7 Ų | 157.7 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | -170.7 | 107.2 | 115.6 | -88.7 | -20.2 | 0 | 0 | 0 | 110 | |||||
| 1505 | H | 24.9 | Very low | 27.5 | Very low | 176 Ų | 176 | 157.1 Ų | 157.1 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -72.1 | 154.9 | 166.6 | -101.2 | -78 | 0 | 0 | 0 | 111.1 | ||||
| 1506 | N | 25.2 | Very low | 27 | Very low | 136 Ų | 136 | 157 Ų | 157 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 81.4 | 105.1 | 155.6 | -58.9 | -22 | 0 | 0 | 0 | 118 | ||||
| 1507 | N | 29.9 | Very low | 26.3 | Very low | 172 Ų | 172 | 160.3 Ų | 160.3 | 92% | 0.92 | 81% | 0.812 | S | S | * | * | -152.7 | 120.2 | 123.2 | -94.5 | -25.8 | 0 | 0 | 0 | 111.2 | |||||
| 1508 | K | 25.6 | Very low | 25.9 | Very low | 205 Ų | 205 | 159.5 Ų | 159.5 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | trans | -80 | 140.1 | 168.2 | -68.7 | 173 | 173.2 | 177.3 | 0 | 108.8 | ||||
| 1509 | S | 27.4 | Very low | 25.7 | Very low | 107 Ų | 107 | 157.4 Ų | 157.4 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -174.8 | 103.4 | 142.2 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1510 | H | 24.3 | Very low | 25.4 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | 57.2 | 131.6 | 120.5 | -84.3 | -51.1 | 0 | 0 | 0 | 123.5 | |||||
| 1511 | I | 23.6 | Very low | 25.1 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 73% | 0.728 | 81% | 0.807 | S | S | * | * | trans | 86 | 137.8 | 139.3 | -65 | 161.8 | 0 | 0 | 0 | 115.5 | ||||
| 1512 | K | 22.8 | Very low | 24.9 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | cis | -174.3 | 141.6 | -14 | -104.8 | -176.2 | -176.7 | 174.7 | 0 | 104.8 | ||||
| 1513 | T | 25.2 | Very low | 24.9 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 37.8 | 107.8 | 144 | 62 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1514 | M | 24.2 | Very low | 24.8 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -100.7 | 125.2 | 153.3 | -81.9 | -126 | -158.5 | 0 | 0 | 110.3 | ||||
| 1515 | T | 23.5 | Very low | 24.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -86.9 | 135.1 | -178.4 | 38 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1516 | N | 22.9 | Very low | 24.8 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | 6.6 | 115.5 | 150.2 | -65 | -16 | 0 | 0 | 0 | 118 | ||||
| 1517 | I | 23.3 | Very low | 24.7 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -116.9 | 103.9 | 152.3 | -61 | 177 | 0 | 0 | 0 | 107.7 | I1519 | I1517-I1519 HydrophobicContact CG2-CG1 4.3Š| ||
| 1518 | T | 23.1 | Very low | 24.4 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -71.8 | 122.3 | 166.7 | 30.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1519 | I | 24.4 | Very low | 24.4 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -104 | 114.2 | 174.1 | -61 | 175.5 | 0 | 0 | 0 | 107.9 | I1517 | I1517-I1519 HydrophobicContact CG2-CG1 4.3Š| ||
| 1520 | N | 23.6 | Very low | 24.2 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -70.4 | 133.2 | 176.1 | -82.4 | -27.4 | 0 | 0 | 0 | 110.7 | ||||
| 1521 | A | 23.4 | Very low | 24.2 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -79.5 | 115.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1522 | D | 24.7 | Very low | 24.3 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -110.2 | 107.6 | 161.7 | -95.1 | -31.5 | 0 | 0 | 0 | 109.8 | ||||
| 1523 | S | 24.7 | Very low | 24.4 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | -65.8 | 150 | 166.6 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1524 | N | 24.8 | Very low | 24.4 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 106.4 | 97.3 | 166.6 | -57.7 | -35.1 | 0 | 0 | 0 | 114.2 | ||||
| 1525 | I | 26.6 | Very low | 24.3 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | -147.3 | 128.5 | 124.9 | -91.2 | 140.8 | 0 | 0 | 0 | 108 | K436 | K436-I1525 VanDerWaalsContact NZ-CD1 3.35Š| |||
| 1526 | S | 26.9 | Very low | 24.2 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -72.6 | 146.6 | -171.2 | 46.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1527 | R | 24.7 | Very low | 24.2 | Very low | 233 Ų | 233 | 145.7 Ų | 145.7 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -24.5 | 131.4 | 152.8 | -67.3 | 170.5 | 174.9 | 169 | -1.7 | 114.8 | ||||
| 1528 | N | 23.5 | Very low | 24.3 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | 159 | 127.5 | 142.4 | -82.3 | -15.2 | 0 | 0 | 0 | 107.9 | ||||
| 1529 | G | 25.6 | Very low | 24.4 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -161.4 | 151.6 | -12.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1530 | C | 23.1 | Very low | 24.3 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -135.1 | 101.1 | 166.3 | -90.8 | 0 | 0 | 0 | 0 | 107.1 | N1532 | C1530-N1532 VanDerWaalsContact C-N 3.28Å; C1530-N1532 PolarHBondContact O-N 3.39Å | ||
| 1531 | N | 24.3 | Very low | 24.4 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -66.8 | 86.2 | 167.3 | -84.3 | -22.7 | 0 | 0 | 0 | 108.8 | N1533 | N1531-N1533 PolarHBondContact O-N 3.48Š| ||
| 1532 | N | 26.1 | Very low | 24.6 | Very low | 128 Ų | 128 | 141 Ų | 141 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | trans | -84.5 | 95.2 | 165.9 | -82.3 | -9.5 | 0 | 0 | 0 | 108.8 | C1530 L1534 | C1530-N1532 VanDerWaalsContact C-N 3.28Å; C1530-N1532 PolarHBondContact O-N 3.39Å; N1532-L1534 HydrophobicContact CB-CD1 4.48Å; N1532-L1534 HydrophobicContact CB-CG 4.47Å; N1532-L1534 PolarHBondContact O-N 3.26Å | ||
| 1533 | N | 23.2 | Very low | 24.7 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -63.5 | 77.6 | 159.6 | -79.7 | -23.4 | 0 | 0 | 0 | 108.9 | N1531 I1535 | N1531-N1533 PolarHBondContact O-N 3.48Å; N1533-I1535 PolarHBondContact O-N 3.49Å; N1533-I1535 VanDerWaalsContact O-N 3.12Å | ||
| 1534 | L | 25.1 | Very low | 24.6 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -74 | 96.4 | 168.9 | -85.3 | 157.4 | 0 | 0 | 0 | 108.2 | N1532 K1536 | N1532-L1534 HydrophobicContact CB-CD1 4.48Å; N1532-L1534 HydrophobicContact CB-CG 4.47Å; N1532-L1534 PolarHBondContact O-N 3.26Å; L1534-K1536 PolarHBondContact O-N 2.95Å | ||
| 1535 | I | 22.8 | Very low | 24.5 | Very low | 146 Ų | 146 | 145 Ų | 145 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -58.6 | 103.3 | 164.7 | -63.3 | 173.6 | 0 | 0 | 0 | 106.8 | N1533 F1537 | N1533-I1535 PolarHBondContact O-N 3.49Å; N1533-I1535 VanDerWaalsContact O-N 3.12Å; I1535-F1537 PolarHBondContact O-N 2.91Å | ||
| 1536 | K | 21.9 | Very low | 24.4 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -64.8 | 101 | 176 | -76.9 | 177 | 174.3 | 176.1 | 0 | 109.3 | L1534 S1538 | L1534-K1536 PolarHBondContact O-N 2.95Å; K1536-S1538 PolarHBondContact O-N 3.4Å | ||
| 1537 | F | 21.5 | Very low | 24.3 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | trans | -72.7 | 87.1 | 151.3 | -84.8 | -81.4 | 0 | 0 | 0 | 107.8 | I1535 A1539 | I1535-F1537 PolarHBondContact O-N 2.91Å; F1537-A1539 PolarHBondContact O-N 2.6Å | ||
| 1538 | S | 25.6 | Very low | 24.2 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 81% | 0.813 | S | S | * | * | trans | -65.8 | 99.2 | 166.4 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | K1536 M1540 | K1536-S1538 PolarHBondContact O-N 3.4Å; S1538-M1540 PolarHBondContact O-N 2.89Å | ||
| 1539 | A | 24.9 | Very low | 24.3 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -54.4 | 112 | 158 | 0 | 0 | 0 | 0 | 0 | 107 | F1537 S1541 | F1537-A1539 PolarHBondContact O-N 2.6Å; A1539-S1541 PolarHBondContact O-N 3.2Å | ||
| 1540 | M | 23.6 | Very low | 24.2 | Very low | 170 Ų | 170 | 154.2 Ų | 154.2 | 84% | 0.837 | 81% | 0.81 | S | S | * | * | trans | -57.7 | 97.4 | -179 | -73.3 | -179.9 | 169.6 | 0 | 0 | 109.8 | S1538 T1542 | S1538-M1540 PolarHBondContact O-N 2.89Å; M1540-T1542 VanDerWaalsContact C-N 3.27Å; M1540-T1542 HydrophobicContact CB-CG2 4.44Å; M1540-T1542 PolarHBondContact O-N 3.35Å; M1540-T1542 VanDerWaalsContact O-N 3.14Å | ||
| 1541 | S | 24.8 | Very low | 24.3 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -73.9 | 89 | 153.7 | 61.2 | 0 | 0 | 0 | 0 | 106.5 | A1539 S1543 | A1539-S1541 PolarHBondContact O-N 3.2Å; S1541-S1543 PolarHBondContact O-N 3.48Å | ||
| 1542 | T | 28 | Very low | 24.3 | Very low | 109 Ų | 109 | 156 Ų | 156 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 102.3 | 171.4 | 38.3 | 0 | 0 | 0 | 0 | 108.6 | M1540 F1544 | M1540-T1542 VanDerWaalsContact C-N 3.27Å; M1540-T1542 HydrophobicContact CB-CG2 4.44Å; M1540-T1542 PolarHBondContact O-N 3.35Å; M1540-T1542 VanDerWaalsContact O-N 3.14Å; T1542-F1544 PolarHBondContact O-N 3.04Å | ||
| 1543 | S | 26.2 | Very low | 24.1 | Very low | 109 Ų | 109 | 158 Ų | 158 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -62.9 | 97.9 | 169.8 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | S1541 Q1545 | S1541-S1543 PolarHBondContact O-N 3.48Å; S1543-Q1545 VanDerWaalsContact C-N 3.3Å; S1543-Q1545 PolarHBondContact O-N 3.02Å; S1543-Q1545 VanDerWaalsContact O-N 3.08Å | ||
| 1544 | F | 23.6 | Very low | 24.2 | Very low | 196 Ų | 196 | 158.2 Ų | 158.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -74 | 86.5 | 161.3 | -102.3 | -90.9 | 0 | 0 | 0 | 108.4 | T1542 | T1542-F1544 PolarHBondContact O-N 3.04Š| ||
| 1545 | Q | 23.1 | Very low | 24.1 | Very low | 181 Ų | 181 | 159.3 Ų | 159.3 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -108.3 | 84.5 | 158.6 | -89 | -171.3 | -18.7 | 0 | 0 | 108.2 | S1543 | S1543-Q1545 VanDerWaalsContact C-N 3.3Å; S1543-Q1545 PolarHBondContact O-N 3.02Å; S1543-Q1545 VanDerWaalsContact O-N 3.08Å | ||
| 1546 | R | 23.5 | Very low | 24.2 | Very low | 307 Ų | 307 | 160.5 Ų | 160.5 | 100% | 1.158 | 83% | 0.825 | S | S | * | * | trans | 165.8 | 0 | 141.5 | -94 | 176.9 | -176.7 | -178.5 | 2.3 | 110.5 |
Retrieved 1,546 of 1,546 residues in 613.6 ms
(Link to these results)