| 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 | 40.9 | Very low | 59 | Low | 195 Ų | 195 | 78.4 Ų | 78.4 | 96% | 0.961 | 42% | 0.42 | S | S | * | . | 0 | 124.1 | 0 | -71.8 | -163.2 | -137.4 | 0 | 0 | 105.8 | F3 F32 | M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 3.29Å; M1-F32 HydrophobicContact CB-CE2 4.46Å | |||
| 2 | D | 45.4 | Very low | 59.6 | Low | 175 Ų | 175 | 75.4 Ų | 75.4 | 94% | 0.936 | 40% | 0.401 | S | S | * | . | trans | -68.8 | 93.1 | 172.5 | -70.9 | -25.3 | 0 | 0 | 0 | 107.4 | N4 | D2-N4 PolarHBondContact O-N 2.89Å; D2-N4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | F | 55.5 | Low | 60.2 | Low | 47 Ų | 47 | 76.7 Ų | 76.7 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | trans | -69.7 | 108.6 | -179.5 | -177.1 | -103 | 0 | 0 | 0 | 108.7 | M1 I5 L8 L29 F32 L33 | M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 3.29Å; F3-I5 HydrophobicContact CD1-CG1 4.17Å; F3-I5 HydrophobicContact CE1-CG1 4.31Å; F3-I5 PolarHBondContact O-N 2.87Å; F3-L8 HydrophobicContact CE1-CD1 3.65Å; F3-L8 HydrophobicContact CE1-CG 4Å; F3-L8 HydrophobicContact CZ-CD1 3.67Å; F3-L8 HydrophobicContact CZ-CD2 3.89Å; F3-L8 HydrophobicContact CZ-CG 3.54Å; F3-L29 HydrophobicContact CE2-CD2 3.97Å; F3-F32 HydrophobicContact CB-CE1 3.85Å; F3-F32 HydrophobicContact CB-CZ 3.81Å; F3-F32 HydrophobicContact CD1-CE1 4.32Å; F3-F32 AromaticContact CD2-CD1 3.53Å; F3-F32 HydrophobicContact CD2-CD1 3.53Å; F3-F32 AromaticContact CD2-CE1 3.19Å; F3-F32 HydrophobicContact CD2-CE1 3.19Å; F3-F32 AromaticContact CD2-CZ 3.98Å; F3-F32 HydrophobicContact CD2-CZ 3.98Å; F3-F32 AromaticContact CE2-CD1 3.68Å; F3-F32 HydrophobicContact CE2-CD1 3.68Å; F3-F32 AromaticContact CE2-CE1 3.67Å; F3-F32 HydrophobicContact CE2-CE1 3.67Å; F3-F32 HydrophobicContact CG-CD1 4.33Å; F3-F32 AromaticContact CG-CE1 3.54Å; F3-F32 HydrophobicContact CG-CE1 3.54Å; F3-F32 HydrophobicContact CG-CZ 4.05Å; F3-F32 HydrophobicContact CZ-CE1 4.38Å; F3-L33 HydrophobicContact CE2-CD2 4.44Å; F3-L33 HydrophobicContact CZ-CD2 4.1Å | ||
| 4 | N | 57.9 | Low | 60.7 | Low | 99 Ų | 99 | 72.3 Ų | 72.3 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | trans | -80.9 | 109.4 | 172.5 | -167.6 | -9 | 0 | 0 | 0 | 108 | D2 A6 E7 | D2-N4 PolarHBondContact O-N 2.89Å; D2-N4 VanDerWaalsContact O-N 3.14Å; N4-A6 PolarHBondContact O-N 3.04Å; N4-A6 WeakPolarHBondContact OD1-CB 3.48Å; N4-A6 PolarHBondContact OD1-N 2.81Å; N4-E7 HydrophobicContact CB-CG 4.44Å; N4-E7 WeakPolarHBondContact O-CB 3.32Å; N4-E7 PolarHBondContact O-N 3.39Å | ||
| 5 | I | 60.3 | Low | 61.2 | Low | 70 Ų | 70 | 73.6 Ų | 73.6 | 36% | 0.359 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -25.2 | 178.5 | -64.7 | 173.9 | 0 | 0 | 0 | 111.7 | F3 E7 L8 L53 | F3-I5 HydrophobicContact CD1-CG1 4.17Å; F3-I5 HydrophobicContact CE1-CG1 4.31Å; F3-I5 PolarHBondContact O-N 2.87Å; I5-E7 PolarHBondContact O-N 3.12Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 PolarHBondContact O-N 3.35Å; I5-L53 HydrophobicContact CG2-CD1 4.26Å; I5-L53 HydrophobicContact CG2-CD2 3.48Å; I5-L53 VanDerWaalsContact CG2-CD2 3.48Å; I5-L53 HydrophobicContact CG2-CG 3.66Å |
| 6 | A | 61.6 | Low | 61.7 | Low | 49 Ų | 49 | 77.3 Ų | 77.3 | 41% | 0.405 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.8 | -24.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N4 L8 C9 | N4-A6 PolarHBondContact O-N 3.04Å; N4-A6 WeakPolarHBondContact OD1-CB 3.48Å; N4-A6 PolarHBondContact OD1-N 2.81Å; A6-L8 VanDerWaalsContact C-N 3.29Å; A6-L8 PolarHBondContact O-N 3.39Å; A6-C9 PolarHBondContact O-N 3.02Å |
| 7 | E | 65 | Low | 61.8 | Low | 81 Ų | 81 | 73.9 Ų | 73.9 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.8 | -31.5 | 176.7 | -70.1 | -174 | 171.8 | 0 | 0 | 112 | N4 I5 C9 N10 H25 | N4-E7 HydrophobicContact CB-CG 4.44Å; N4-E7 WeakPolarHBondContact O-CB 3.32Å; N4-E7 PolarHBondContact O-N 3.39Å; I5-E7 PolarHBondContact O-N 3.12Å; E7-C9 VanDerWaalsContact C-N 3.3Å; E7-C9 PolarHBondContact O-N 2.99Å; E7-N10 PolarHBondContact O-N 3.39Å; E7-N10 VanDerWaalsContact O-N 3.12Å; E7-H25 IonicContact OE2-CE1 3.82Å |
| 8 | L | 65.4 | Low | 62 | Low | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.016 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | 176.7 | -73.1 | 169 | 0 | 0 | 0 | 112.3 | F3 I5 A6 N10 V11 L33 I41 L67 L70 | F3-L8 HydrophobicContact CE1-CD1 3.65Å; F3-L8 HydrophobicContact CE1-CG 4Å; F3-L8 HydrophobicContact CZ-CD1 3.67Å; F3-L8 HydrophobicContact CZ-CD2 3.89Å; F3-L8 HydrophobicContact CZ-CG 3.54Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 PolarHBondContact O-N 3.35Å; A6-L8 VanDerWaalsContact C-N 3.29Å; A6-L8 PolarHBondContact O-N 3.39Å; L8-N10 PolarHBondContact O-N 3.4Å; L8-V11 WeakPolarHBondContact O-CG2 3.26Å; L8-V11 PolarHBondContact O-N 3.04Å; L8-L33 HydrophobicContact CD2-CD1 3.97Å; L8-L33 HydrophobicContact CD2-CD2 4.32Å; L8-I41 HydrophobicContact CD1-CG2 4.45Å; L8-L67 HydrophobicContact CB-CD1 3.94Å; L8-L67 HydrophobicContact CD2-CD1 3.89Å; L8-L67 HydrophobicContact CG-CD1 4.45Å; L8-L70 HydrophobicContact CD2-CD2 4.39Å |
| 9 | C | 61.9 | Low | 62.6 | Low | 49 Ų | 49 | 82.6 Ų | 82.6 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.7 | -19.2 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | A6 E7 L59 | A6-C9 PolarHBondContact O-N 3.02Å; E7-C9 VanDerWaalsContact C-N 3.3Å; E7-C9 PolarHBondContact O-N 2.99Å; C9-L59 HydrophobicContact CB-CD2 4.42Å |
| 10 | N | 66.2 | Low | 63.2 | Low | 92 Ų | 92 | 84.3 Ų | 84.3 | 49% | 0.492 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 1.6 | -177.8 | -75.3 | -31.9 | 0 | 0 | 0 | 114.3 | E7 L8 F12 N13 A14 | E7-N10 PolarHBondContact O-N 3.39Å; E7-N10 VanDerWaalsContact O-N 3.12Å; L8-N10 PolarHBondContact O-N 3.4Å; N10-F12 VanDerWaalsContact C-N 3.25Å; N10-F12 PolarHBondContact O-N 2.86Å; N10-N13 PolarHBondContact O-N 3.05Å; N10-A14 PolarHBondContact O-N 3.42Å; N10-A14 VanDerWaalsContact O-N 3.12Å |
| 11 | V | 69.5 | Low | 63.8 | Low | 2 Ų | 2 | 86.3 Ų | 86.3 | 1% | 0.012 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -56.1 | -39.2 | -177.4 | 171.4 | 0 | 0 | 0 | 0 | 112.3 | L8 N13 A14 Q15 L70 | L8-V11 WeakPolarHBondContact O-CG2 3.26Å; L8-V11 PolarHBondContact O-N 3.04Å; V11-N13 VanDerWaalsContact C-N 3.31Å; V11-N13 PolarHBondContact O-N 3.47Å; V11-A14 PolarHBondContact O-N 2.81Å; V11-A14 VanDerWaalsContact O-N 3.13Å; V11-Q15 HydrophobicContact CG1-CG 4.2Å; V11-Q15 WeakPolarHBondContact O-CG 3.44Å; V11-Q15 PolarHBondContact O-N 3.45Å; V11-L70 HydrophobicContact CB-CD2 4.25Å; V11-L70 HydrophobicContact CG1-CB 4.23Å; V11-L70 HydrophobicContact CG1-CD2 3.8Å; V11-L70 HydrophobicContact CG1-CG 4.47Å; V11-L70 HydrophobicContact CG2-CD2 3.45Å; V11-L70 VanDerWaalsContact CG2-CD2 3.45Å |
| 12 | F | 65.4 | Low | 65.3 | Low | 43 Ų | 43 | 78.8 Ų | 78.8 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 177.9 | -176 | -102.4 | 0 | 0 | 0 | 112.1 | N10 A14 Q15 Q16 D62 Q63 A66 | N10-F12 VanDerWaalsContact C-N 3.25Å; N10-F12 PolarHBondContact O-N 2.86Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-Q15 PolarHBondContact O-N 3.49Å; F12-Q16 PolarHBondContact O-N 3.38Å; F12-Q16 VanDerWaalsContact O-N 3.11Å; F12-D62 HydrophobicContact CD2-CB 4.29Å; F12-D62 HydrophobicContact CE2-CB 3.56Å; F12-D62 HydrophobicContact CZ-CB 3.76Å; F12-Q63 HydrophobicContact CB-CB 4.22Å; F12-Q63 HydrophobicContact CB-CG 3.77Å; F12-Q63 HydrophobicContact CD1-CG 3.89Å; F12-Q63 HydrophobicContact CD2-CG 4.47Å; F12-Q63 HydrophobicContact CG-CB 4.5Å; F12-Q63 HydrophobicContact CG-CG 3.8Å; F12-A66 HydrophobicContact CB-CB 4.26Å; F12-A66 HydrophobicContact CD2-CB 3.85Å |
| 13 | N | 67.9 | Low | 66.6 | Low | 92 Ų | 92 | 75.7 Ų | 75.7 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 177.3 | -65.2 | -28.1 | 0 | 0 | 0 | 111.4 | N10 V11 G17 | N10-N13 PolarHBondContact O-N 3.05Å; V11-N13 VanDerWaalsContact C-N 3.31Å; V11-N13 PolarHBondContact O-N 3.47Å; N13-G17 PolarHBondContact O-N 3.25Å |
| 14 | A | 67.7 | Low | 67.8 | Low | 15 Ų | 15 | 79.6 Ų | 79.6 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N10 V11 F12 G17 C22 V26 | N10-A14 PolarHBondContact O-N 3.42Å; N10-A14 VanDerWaalsContact O-N 3.12Å; V11-A14 PolarHBondContact O-N 2.81Å; V11-A14 VanDerWaalsContact O-N 3.13Å; F12-A14 VanDerWaalsContact C-N 3.34Å; A14-G17 PolarHBondContact O-N 2.9Å; A14-C22 WeakPolarHBondContact O-CB 3.43Å; A14-V26 HydrophobicContact CB-CG2 3.72Å |
| 15 | Q | 68.1 | Low | 68.7 | Low | 92 Ų | 92 | 78.3 Ų | 78.3 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.1 | -32.6 | 176.4 | -74.9 | -180 | -15.9 | 0 | 0 | 112.8 | V11 F12 G17 V26 | V11-Q15 HydrophobicContact CG1-CG 4.2Å; V11-Q15 WeakPolarHBondContact O-CG 3.44Å; V11-Q15 PolarHBondContact O-N 3.45Å; F12-Q15 PolarHBondContact O-N 3.49Å; Q15-G17 VanDerWaalsContact C-N 3.32Å; Q15-V26 HydrophobicContact CG-CG2 4.36Å |
| 16 | Q | 68.3 | Low | 69.5 | Low | 132 Ų | 132 | 75.9 Ų | 75.9 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.1 | -21.3 | 174 | -70 | -153.1 | 9.9 | 0 | 0 | 113.5 | F12 K18 | F12-Q16 PolarHBondContact O-N 3.38Å; F12-Q16 VanDerWaalsContact O-N 3.11Å; Q16-K18 PolarHBondContact O-N 3.14Å |
| 17 | G | 63.7 | Low | 70.4 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 22% | 0.216 | 40% | 0.398 | C | S | . | . | trans | -67.9 | 113.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N13 A14 Q15 D19 | N13-G17 PolarHBondContact O-N 3.25Å; A14-G17 PolarHBondContact O-N 2.9Å; Q15-G17 VanDerWaalsContact C-N 3.32Å; G17-D19 PolarHBondContact O-N 3.29Å | ||
| 18 | K | 65.6 | Low | 71.2 | Confident | 198 Ų | 198 | 81 Ų | 81 | 86% | 0.861 | 41% | 0.409 | S | S | * | . | trans | -71.1 | -3.7 | 173.2 | -67.3 | -171.6 | 178.7 | -177.6 | 0 | 114 | Q16 | Q16-K18 PolarHBondContact O-N 3.14Š| ||
| 19 | D | 72.4 | Confident | 71.9 | Confident | 114 Ų | 114 | 81.2 Ų | 81.2 | 61% | 0.61 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -73.9 | 135.7 | -179.1 | -73.6 | -23.3 | 0 | 0 | 0 | 112 | G17 N21 C22 Q23 | G17-D19 PolarHBondContact O-N 3.29Å; D19-N21 PolarHBondContact O-N 3.25Å; D19-C22 WeakPolarHBondContact O-CB 3.31Å; D19-C22 PolarHBondContact O-N 2.85Å; D19-Q23 PolarHBondContact O-N 3.39Å |
| 20 | N | 75.8 | Confident | 72.8 | Confident | 117 Ų | 117 | 79.7 Ų | 79.7 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -51 | -30.4 | 174.5 | -92 | -26.7 | 0 | 0 | 0 | 113.1 | K24 | N20-K24 WeakPolarHBondContact O-CB 3.45Å; N20-K24 VanDerWaalsContact O-CG 3.28Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3.38Å |
| 21 | N | 76.3 | Confident | 73.6 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 68% | 0.679 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.9 | -39.6 | 177.9 | -71.7 | -20.3 | 0 | 0 | 0 | 112.2 | D19 K24 H25 | D19-N21 PolarHBondContact O-N 3.25Å; N21-K24 PolarHBondContact O-N 3.42Å; N21-H25 WeakPolarHBondContact O-CB 3.39Å; N21-H25 PolarHBondContact O-N 3.32Å |
| 22 | C | 71.2 | Confident | 74.2 | Confident | 37 Ų | 37 | 83.8 Ų | 83.8 | 25% | 0.25 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 176.9 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | A14 D19 K24 H25 V26 | A14-C22 WeakPolarHBondContact O-CB 3.43Å; D19-C22 WeakPolarHBondContact O-CB 3.31Å; D19-C22 PolarHBondContact O-N 2.85Å; C22-K24 PolarHBondContact O-N 3.21Å; C22-H25 WeakPolarHBondContact O-CB 3.45Å; C22-H25 PolarHBondContact O-N 2.96Å; C22-H25 VanDerWaalsContact O-N 3.14Å; C22-V26 WeakPolarHBondContact O-CG2 3.31Å; C22-V26 PolarHBondContact O-N 2.65Å |
| 23 | Q | 73.7 | Confident | 75 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.6 | -66.6 | -175.3 | -8.2 | 0 | 0 | 112.3 | D19 H25 V26 L27 | D19-Q23 PolarHBondContact O-N 3.39Å; Q23-H25 VanDerWaalsContact C-N 3.27Å; Q23-H25 PolarHBondContact O-N 2.8Å; Q23-V26 PolarHBondContact O-N 3.35Å; Q23-L27 WeakPolarHBondContact O-CG 3.41Å; Q23-L27 PolarHBondContact O-N 2.85Å |
| 24 | K | 79.2 | Confident | 75.6 | Confident | 130 Ų | 130 | 78.3 Ų | 78.3 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.7 | -36.3 | 173.6 | -78.1 | 179.4 | -178.9 | -178.7 | 0 | 112.3 | N20 N21 C22 K28 | N20-K24 WeakPolarHBondContact O-CB 3.45Å; N20-K24 VanDerWaalsContact O-CG 3.28Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3.38Å; N21-K24 PolarHBondContact O-N 3.42Å; C22-K24 PolarHBondContact O-N 3.21Å; K24-K28 VanDerWaalsContact O-CG 3.31Å; K24-K28 WeakPolarHBondContact O-CG 3.48Å; K24-K28 PolarHBondContact O-N 3.42Å |
| 25 | H | 78.4 | Confident | 76.2 | Confident | 72 Ų | 72 | 79.6 Ų | 79.6 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.3 | -43.8 | 176.6 | -175.4 | 66.5 | 0 | 0 | 0 | 111.5 | E7 N21 C22 Q23 L27 K28 L29 | E7-H25 IonicContact OE2-CE1 3.82Å; N21-H25 WeakPolarHBondContact O-CB 3.39Å; N21-H25 PolarHBondContact O-N 3.32Å; C22-H25 WeakPolarHBondContact O-CB 3.45Å; C22-H25 PolarHBondContact O-N 2.96Å; C22-H25 VanDerWaalsContact O-N 3.14Å; Q23-H25 VanDerWaalsContact C-N 3.27Å; Q23-H25 PolarHBondContact O-N 2.8Å; H25-L27 PolarHBondContact O-N 3.03Å; H25-K28 PolarHBondContact O-N 3.22Å; H25-L29 WeakPolarHBondContact NE2-CD1 3.38Å; H25-L29 PolarHBondContact O-N 3.44Å |
| 26 | V | 76.7 | Confident | 76.4 | Confident | 18 Ų | 18 | 80.8 Ų | 80.8 | 11% | 0.109 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.7 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | A14 Q15 C22 Q23 K28 L29 I30 L70 | A14-V26 HydrophobicContact CB-CG2 3.72Å; Q15-V26 HydrophobicContact CG-CG2 4.36Å; C22-V26 WeakPolarHBondContact O-CG2 3.31Å; C22-V26 PolarHBondContact O-N 2.65Å; Q23-V26 PolarHBondContact O-N 3.35Å; V26-K28 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 2.97Å; V26-L29 WeakPolarHBondContact O-CB 3.5Å; V26-L29 PolarHBondContact O-N 3.29Å; V26-I30 HydrophobicContact CG1-CD1 4.09Å; V26-I30 HydrophobicContact CG1-CG1 4.49Å; V26-I30 WeakPolarHBondContact O-CG1 3.47Å; V26-I30 PolarHBondContact O-N 2.68Å; V26-L70 HydrophobicContact CG1-CD1 4.42Å |
| 27 | L | 79.5 | Confident | 76.7 | Confident | 101 Ų | 101 | 80.9 Ų | 80.9 | 53% | 0.529 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.7 | -73.2 | 170.5 | 0 | 0 | 0 | 112.5 | Q23 H25 L29 I30 Q31 | Q23-L27 WeakPolarHBondContact O-CG 3.41Å; Q23-L27 PolarHBondContact O-N 2.85Å; H25-L27 PolarHBondContact O-N 3.03Å; L27-L29 VanDerWaalsContact C-N 3.35Å; L27-I30 PolarHBondContact O-N 3.17Å; L27-Q31 WeakPolarHBondContact O-CG 3.22Å; L27-Q31 PolarHBondContact O-N 3.07Å |
| 28 | K | 81.7 | Confident | 77.5 | Confident | 137 Ų | 137 | 79.9 Ų | 79.9 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 174 | -76.5 | 176.7 | 179 | -174.5 | 0 | 112.1 | K24 H25 V26 Q31 F32 | K24-K28 VanDerWaalsContact O-CG 3.31Å; K24-K28 WeakPolarHBondContact O-CG 3.48Å; K24-K28 PolarHBondContact O-N 3.42Å; H25-K28 PolarHBondContact O-N 3.22Å; V26-K28 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 2.97Å; K28-Q31 PolarHBondContact O-N 3.36Å; K28-F32 WeakPolarHBondContact O-CB 3.21Å; K28-F32 PolarHBondContact O-N 3.3Å |
| 29 | L | 80.3 | Confident | 78.4 | Confident | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 174 | -93.7 | 151.1 | 0 | 0 | 0 | 111 | F3 H25 V26 L27 F32 L33 | F3-L29 HydrophobicContact CE2-CD2 3.97Å; H25-L29 WeakPolarHBondContact NE2-CD1 3.38Å; H25-L29 PolarHBondContact O-N 3.44Å; V26-L29 WeakPolarHBondContact O-CB 3.5Å; V26-L29 PolarHBondContact O-N 3.29Å; L27-L29 VanDerWaalsContact C-N 3.35Å; L29-F32 PolarHBondContact O-N 3.16Å; L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.46Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 2.89Å |
| 30 | I | 81.4 | Confident | 79 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -51.3 | 175.4 | -65.1 | 168.2 | 0 | 0 | 0 | 110 | V26 L27 F32 L33 S34 L70 R73 E77 | V26-I30 HydrophobicContact CG1-CD1 4.09Å; V26-I30 HydrophobicContact CG1-CG1 4.49Å; V26-I30 WeakPolarHBondContact O-CG1 3.47Å; V26-I30 PolarHBondContact O-N 2.68Å; L27-I30 PolarHBondContact O-N 3.17Å; I30-F32 VanDerWaalsContact C-N 3.27Å; I30-F32 PolarHBondContact O-N 3.46Å; I30-L33 PolarHBondContact O-N 3.11Å; I30-L33 VanDerWaalsContact O-N 3.14Å; I30-S34 WeakPolarHBondContact O-CB 3.21Å; I30-S34 PolarHBondContact O-N 3.3Å; I30-S34 PolarHBondContact O-OG 3.38Å; I30-L70 HydrophobicContact CD1-CD1 4.12Å; I30-L70 HydrophobicContact CG1-CD1 3.4Å; I30-L70 VanDerWaalsContact CG1-CD1 3.4Å; I30-R73 HydrophobicContact CD1-CG 4.19Å; I30-R73 HydrophobicContact CG2-CG 4.46Å; I30-E77 VanDerWaalsContact CG2-CD 3.46Å; I30-E77 HydrophobicContact CG2-CG 4.47Å; I30-E77 WeakPolarHBondContact CG2-OE2 3.23Å |
| 31 | Q | 81.9 | Confident | 79.3 | Confident | 136 Ų | 136 | 64.4 Ų | 64.4 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.7 | -39.7 | 178.2 | -75.5 | 177.1 | -13.5 | 0 | 0 | 112.9 | L27 K28 S35 | L27-Q31 WeakPolarHBondContact O-CG 3.22Å; L27-Q31 PolarHBondContact O-N 3.07Å; K28-Q31 PolarHBondContact O-N 3.36Å; Q31-S35 PolarHBondContact O-N 3.16Å |
| 32 | F | 82.9 | Confident | 79.6 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -46.9 | 176 | 178.7 | -96.5 | 0 | 0 | 0 | 111.8 | M1 F3 K28 L29 I30 S34 S35 | M1-F32 HydrophobicContact CB-CE2 4.46Å; F3-F32 HydrophobicContact CB-CE1 3.85Å; F3-F32 HydrophobicContact CB-CZ 3.81Å; F3-F32 HydrophobicContact CD1-CE1 4.32Å; F3-F32 AromaticContact CD2-CD1 3.53Å; F3-F32 HydrophobicContact CD2-CD1 3.53Å; F3-F32 AromaticContact CD2-CE1 3.19Å; F3-F32 HydrophobicContact CD2-CE1 3.19Å; F3-F32 AromaticContact CD2-CZ 3.98Å; F3-F32 HydrophobicContact CD2-CZ 3.98Å; F3-F32 AromaticContact CE2-CD1 3.68Å; F3-F32 HydrophobicContact CE2-CD1 3.68Å; F3-F32 AromaticContact CE2-CE1 3.67Å; F3-F32 HydrophobicContact CE2-CE1 3.67Å; F3-F32 HydrophobicContact CG-CD1 4.33Å; F3-F32 AromaticContact CG-CE1 3.54Å; F3-F32 HydrophobicContact CG-CE1 3.54Å; F3-F32 HydrophobicContact CG-CZ 4.05Å; F3-F32 HydrophobicContact CZ-CE1 4.38Å; K28-F32 WeakPolarHBondContact O-CB 3.21Å; K28-F32 PolarHBondContact O-N 3.3Å; L29-F32 PolarHBondContact O-N 3.16Å; I30-F32 VanDerWaalsContact C-N 3.27Å; I30-F32 PolarHBondContact O-N 3.46Å; F32-S34 PolarHBondContact O-N 3.23Å; F32-S35 VanDerWaalsContact O-CB 3.25Å; F32-S35 WeakPolarHBondContact O-CB 3.48Å; F32-S35 PolarHBondContact O-N 2.96Å; F32-S35 VanDerWaalsContact O-N 3.09Å; F32-S35 PolarHBondContact O-OG 3.34Å |
| 33 | L | 81.8 | Confident | 80.2 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.1 | -23.1 | 179.7 | -69.4 | 172.7 | 0 | 0 | 0 | 112.7 | F3 L8 L29 I30 S35 G38 W39 L70 A74 | F3-L33 HydrophobicContact CE2-CD2 4.44Å; F3-L33 HydrophobicContact CZ-CD2 4.1Å; L8-L33 HydrophobicContact CD2-CD1 3.97Å; L8-L33 HydrophobicContact CD2-CD2 4.32Å; L29-L33 VanDerWaalsContact O-CB 3.31Å; L29-L33 WeakPolarHBondContact O-CB 3.46Å; L29-L33 WeakPolarHBondContact O-CG 3.34Å; L29-L33 PolarHBondContact O-N 2.89Å; I30-L33 PolarHBondContact O-N 3.11Å; I30-L33 VanDerWaalsContact O-N 3.14Å; L33-S35 VanDerWaalsContact C-N 3.35Å; L33-G38 CarbonylContact O-C 3.11Å; L33-W39 WeakPolarHBondContact O-CA 3.28Å; L33-W39 PolarHBondContact O-N 2.91Å; L33-L70 HydrophobicContact CD1-CD2 3.69Å; L33-L70 HydrophobicContact CD1-CG 3.93Å; L33-A74 HydrophobicContact CB-CB 3.47Å; L33-A74 VanDerWaalsContact CB-CB 3.47Å |
| 34 | S | 80.1 | Confident | 80.5 | Confident | 19 Ų | 19 | 53 Ų | 53 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.8 | 173.1 | -62.5 | 0 | 0 | 0 | 0 | 113.8 | I30 F32 A74 E77 N78 | I30-S34 WeakPolarHBondContact O-CB 3.21Å; I30-S34 PolarHBondContact O-N 3.3Å; I30-S34 PolarHBondContact O-OG 3.38Å; F32-S34 PolarHBondContact O-N 3.23Å; S34-A74 VanDerWaalsContact OG-CA 3.29Å; S34-A74 WeakPolarHBondContact OG-CA 3.44Å; S34-A74 PolarHBondContact OG-O 2.77Å; S34-E77 WeakPolarHBondContact OG-CB 3.36Å; S34-N78 PolarHBondContact O-ND2 3.02Å |
| 35 | S | 80.3 | Confident | 80.6 | Confident | 43 Ų | 43 | 47 Ų | 47 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -71.4 | 166 | 177.9 | 76.4 | 0 | 0 | 0 | 0 | 112.6 | Q31 F32 L33 D37 G38 W39 | Q31-S35 PolarHBondContact O-N 3.16Å; F32-S35 VanDerWaalsContact O-CB 3.25Å; F32-S35 WeakPolarHBondContact O-CB 3.48Å; F32-S35 PolarHBondContact O-N 2.96Å; F32-S35 VanDerWaalsContact O-N 3.09Å; F32-S35 PolarHBondContact O-OG 3.34Å; L33-S35 VanDerWaalsContact C-N 3.35Å; S35-D37 PolarHBondContact O-N 3.05Å; S35-D37 VanDerWaalsContact O-N 3.16Å; S35-G38 PolarHBondContact O-N 3.26Å; S35-W39 PolarHBondContact O-N 2.98Å |
| 36 | E | 73.6 | Confident | 80.8 | Confident | 116 Ų | 116 | 43.7 Ų | 43.7 | 54% | 0.542 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -37.1 | -175.8 | -64.3 | -175 | 156.4 | 0 | 0 | 113.5 | W39 Q86 | E36-W39 PolarHBondContact O-NE1 3.39Å; E36-Q86 PolarHBondContact OE1-NE2 3.41Å |
| 37 | D | 74.6 | Confident | 80.8 | Confident | 135 Ų | 135 | 44.3 Ų | 44.3 | 72% | 0.722 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -18.7 | 179.5 | -65.2 | -37.3 | 0 | 0 | 0 | 113.4 | S35 | S35-D37 PolarHBondContact O-N 3.05Å; S35-D37 VanDerWaalsContact O-N 3.16Å |
| 38 | G | 80.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -40.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L33 S35 P40 I41 | L33-G38 CarbonylContact O-C 3.11Å; S35-G38 PolarHBondContact O-N 3.26Å; G38-P40 VanDerWaalsContact C-CD 3.42Å; G38-I41 VanDerWaalsContact O-CB 3.23Å; G38-I41 WeakPolarHBondContact O-CB 3.26Å; G38-I41 PolarHBondContact O-N 3.13Å |
| 39 | W | 84.4 | Confident | 79.2 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -31.3 | -172.5 | 78.5 | -95.5 | 0 | 0 | 0 | 114.1 | L33 S35 E36 I41 C42 T43 L75 N78 E89 K92 F93 | L33-W39 WeakPolarHBondContact O-CA 3.28Å; L33-W39 PolarHBondContact O-N 2.91Å; S35-W39 PolarHBondContact O-N 2.98Å; E36-W39 PolarHBondContact O-NE1 3.39Å; W39-I41 PolarHBondContact O-N 3.49Å; W39-C42 WeakPolarHBondContact O-CB 3.46Å; W39-C42 PolarHBondContact O-N 2.83Å; W39-C42 VanDerWaalsContact O-N 3.13Å; W39-T43 HydrophobicContact CE3-CG2 3.85Å; W39-T43 HydrophobicContact CZ3-CG2 3.83Å; W39-T43 PolarHBondContact O-N 3.28Å; W39-L75 HydrophobicContact CB-CD2 4.05Å; W39-L75 HydrophobicContact CE3-CD2 3.95Å; W39-N78 HydrophobicContact CB-CB 4.43Å; W39-E89 HydrophobicContact CZ2-CG 3.92Å; W39-K92 HydrophobicContact CH2-CB 3.63Å; W39-K92 HydrophobicContact CZ2-CB 4.26Å; W39-K92 HydrophobicContact CZ2-CD 4.46Å; W39-F93 HydrophobicContact CE3-CD2 4.37Å; W39-F93 HydrophobicContact CH2-CB 4.16Å; W39-F93 HydrophobicContact CZ3-CB 4.22Å; W39-F93 AromaticContact CZ3-CD2 3.88Å; W39-F93 HydrophobicContact CZ3-CD2 3.88Å |
| 40 | P | 84.2 | Confident | 77.7 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.2 | -21.4 | 173.2 | -19.7 | 34.8 | 0 | 0 | 0 | 113.1 | G38 T43 S44 | G38-P40 VanDerWaalsContact C-CD 3.42Å; P40-T43 WeakPolarHBondContact CA-OG1 3.22Å; P40-T43 PolarHBondContact O-OG1 3.2Å; P40-S44 PolarHBondContact O-N 3.22Å |
| 41 | I | 82.3 | Confident | 76 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -45.4 | 172.6 | -55.2 | 174.4 | 0 | 0 | 0 | 108.5 | L8 G38 W39 T43 S44 V45 | L8-I41 HydrophobicContact CD1-CG2 4.45Å; G38-I41 VanDerWaalsContact O-CB 3.23Å; G38-I41 WeakPolarHBondContact O-CB 3.26Å; G38-I41 PolarHBondContact O-N 3.13Å; W39-I41 PolarHBondContact O-N 3.49Å; I41-T43 VanDerWaalsContact C-N 3.32Å; I41-T43 PolarHBondContact O-N 3.33Å; I41-S44 PolarHBondContact O-N 2.8Å; I41-S44 PolarHBondContact O-OG 3.48Å; I41-V45 HydrophobicContact CG2-CG2 4.41Å; I41-V45 WeakPolarHBondContact O-CG2 3.41Å; I41-V45 PolarHBondContact O-N 2.82Å |
| 42 | C | 84 | Confident | 74.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 177.1 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | W39 S44 V45 L46 C71 L75 | W39-C42 WeakPolarHBondContact O-CB 3.46Å; W39-C42 PolarHBondContact O-N 2.83Å; W39-C42 VanDerWaalsContact O-N 3.13Å; C42-S44 PolarHBondContact O-N 3.43Å; C42-V45 PolarHBondContact O-N 3.31Å; C42-L46 VanDerWaalsContact O-CG 3.28Å; C42-L46 WeakPolarHBondContact O-CG 3.42Å; C42-L46 PolarHBondContact O-N 3.41Å; C42-C71 HydrophobicContact CB-CB 3.81Å; C42-L75 HydrophobicContact CB-CD1 4.3Å; C42-L75 HydrophobicContact CB-CD2 4.2Å; C42-L75 HydrophobicContact CB-CG 4.01Å |
| 43 | T | 83.4 | Confident | 73.2 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 112 | W39 P40 I41 L46 L47 L75 F96 | W39-T43 HydrophobicContact CE3-CG2 3.85Å; W39-T43 HydrophobicContact CZ3-CG2 3.83Å; W39-T43 PolarHBondContact O-N 3.28Å; P40-T43 WeakPolarHBondContact CA-OG1 3.22Å; P40-T43 PolarHBondContact O-OG1 3.2Å; I41-T43 VanDerWaalsContact C-N 3.32Å; I41-T43 PolarHBondContact O-N 3.33Å; T43-L46 PolarHBondContact O-N 3.26Å; T43-L47 WeakPolarHBondContact O-CB 3.48Å; T43-L47 WeakPolarHBondContact O-CG 3.31Å; T43-L47 PolarHBondContact O-N 3.18Å; T43-L47 VanDerWaalsContact O-N 3.08Å; T43-L75 HydrophobicContact CG2-CD1 4.48Å; T43-L75 HydrophobicContact CG2-CD2 4.03Å; T43-F96 HydrophobicContact CG2-CB 3.94Å; T43-F96 HydrophobicContact CG2-CD1 3.69Å; T43-F96 HydrophobicContact CG2-CD2 3.71Å; T43-F96 HydrophobicContact CG2-CE1 4.1Å; T43-F96 HydrophobicContact CG2-CE2 4.12Å; T43-F96 HydrophobicContact CG2-CG 3.47Å; T43-F96 VanDerWaalsContact CG2-CG 3.47Å; T43-F96 HydrophobicContact CG2-CZ 4.3Å |
| 44 | S | 80.5 | Confident | 71.6 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.7 | -35 | 177.2 | 74.4 | 0 | 0 | 0 | 0 | 113.6 | P40 I41 C42 N48 S49 N50 | P40-S44 PolarHBondContact O-N 3.22Å; I41-S44 PolarHBondContact O-N 2.8Å; I41-S44 PolarHBondContact O-OG 3.48Å; C42-S44 PolarHBondContact O-N 3.43Å; S44-N48 PolarHBondContact O-N 3.22Å; S44-S49 PolarHBondContact O-N 3.09Å; S44-N50 WeakPolarHBondContact CB-ND2 3.37Å; S44-N50 PolarHBondContact OG-ND2 3.27Å |
| 45 | V | 80.1 | Confident | 70.5 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | I41 C42 L53 L67 F68 | I41-V45 HydrophobicContact CG2-CG2 4.41Å; I41-V45 WeakPolarHBondContact O-CG2 3.41Å; I41-V45 PolarHBondContact O-N 2.82Å; C42-V45 PolarHBondContact O-N 3.31Å; V45-L53 HydrophobicContact CG2-CD1 4.16Å; V45-L67 HydrophobicContact CG1-CD2 3.95Å; V45-L67 HydrophobicContact CG1-CG 4.08Å; V45-F68 HydrophobicContact CG1-CD1 4.33Å; V45-F68 HydrophobicContact CG1-CE1 4.2Å |
| 46 | L | 82.2 | Confident | 69.6 | Low | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72.6 | -30.4 | 179.8 | -69.9 | 169.8 | 0 | 0 | 0 | 113.2 | C42 T43 F68 C71 L75 F96 W100 F117 | C42-L46 VanDerWaalsContact O-CG 3.28Å; C42-L46 WeakPolarHBondContact O-CG 3.42Å; C42-L46 PolarHBondContact O-N 3.41Å; T43-L46 PolarHBondContact O-N 3.26Å; L46-F68 HydrophobicContact CD2-CB 4.09Å; L46-F68 HydrophobicContact CD2-CD1 4.02Å; L46-F68 HydrophobicContact CD2-CG 4.08Å; L46-C71 HydrophobicContact CD1-CB 4.14Å; L46-C71 HydrophobicContact CD2-CB 4.21Å; L46-C71 HydrophobicContact CG-CB 4.05Å; L46-L75 HydrophobicContact CD1-CD1 3.58Å; L46-F96 HydrophobicContact CB-CE2 3.97Å; L46-F96 HydrophobicContact CB-CZ 4.3Å; L46-F96 HydrophobicContact CD1-CE2 4.27Å; L46-F96 HydrophobicContact CD1-CZ 3.83Å; L46-W100 HydrophobicContact CD1-CZ2 4.4Å; L46-W100 HydrophobicContact CD2-CZ2 4.39Å; L46-F117 HydrophobicContact CD2-CE2 4.21Å; L46-F117 HydrophobicContact CD2-CZ 3.77Å |
| 47 | L | 77.8 | Confident | 69 | Low | 30 Ų | 30 | 53.1 Ų | 53.1 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -5.8 | 177.7 | -72.6 | 174.9 | 0 | 0 | 0 | 114.5 | T43 S49 F96 Q99 W100 | T43-L47 WeakPolarHBondContact O-CB 3.48Å; T43-L47 WeakPolarHBondContact O-CG 3.31Å; T43-L47 PolarHBondContact O-N 3.18Å; T43-L47 VanDerWaalsContact O-N 3.08Å; L47-S49 WeakPolarHBondContact CB-OG 3.44Å; L47-S49 PolarHBondContact O-N 2.67Å; L47-S49 VanDerWaalsContact O-N 3.14Å; L47-F96 HydrophobicContact CD1-CD2 3.69Å; L47-F96 HydrophobicContact CD1-CE2 4.41Å; L47-F96 HydrophobicContact CD2-CD2 4.34Å; L47-F96 HydrophobicContact CD2-CE2 4.48Å; L47-F96 HydrophobicContact CG-CD2 3.76Å; L47-F96 HydrophobicContact CG-CE2 3.99Å; L47-Q99 HydrophobicContact CD1-CB 4.09Å; L47-Q99 VanDerWaalsContact CD1-OE1 3.26Å; L47-Q99 HydrophobicContact CD2-CB 3.74Å; L47-W100 HydrophobicContact CD2-CB 3.88Å; L47-W100 HydrophobicContact CD2-CG 4.38Å |
| 48 | N | 70.3 | Confident | 68.5 | Low | 55 Ų | 55 | 49.9 Ų | 49.9 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 24 | -172.6 | -86.2 | 3.4 | 0 | 0 | 0 | 113.8 | S44 D57 | S44-N48 PolarHBondContact O-N 3.22Å; N48-D57 PolarHBondContact ND2-OD1 2.96Å |
| 49 | S | 56.8 | Low | 67.8 | Low | 69 Ų | 69 | 51.2 Ų | 51.2 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | trans | -99.4 | 0.5 | -164.2 | 45.6 | 0 | 0 | 0 | 0 | 116.1 | S44 L47 | S44-S49 PolarHBondContact O-N 3.09Å; L47-S49 WeakPolarHBondContact CB-OG 3.44Å; L47-S49 PolarHBondContact O-N 2.67Å; L47-S49 VanDerWaalsContact O-N 3.14Å | ||
| 50 | N | 48.6 | Very low | 67.2 | Low | 84 Ų | 84 | 54.2 Ų | 54.2 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | -109.5 | 124.6 | -179 | -95.2 | -15.5 | 0 | 0 | 0 | 114.1 | S44 T52 | S44-N50 WeakPolarHBondContact CB-ND2 3.37Å; S44-N50 PolarHBondContact OG-ND2 3.27Å; N50-T52 PolarHBondContact O-N 3.13Å; N50-T52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | S | 47 | Very low | 66.5 | Low | 122 Ų | 122 | 54.6 Ų | 54.6 | 85% | 0.853 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -3.3 | 174.2 | 53.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 52 | T | 50.6 | Low | 66 | Low | 92 Ų | 92 | 57.7 Ų | 57.7 | 56% | 0.564 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -14.1 | -175.7 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | N50 | N50-T52 PolarHBondContact O-N 3.13Å; N50-T52 VanDerWaalsContact O-N 3.11Å |
| 53 | L | 53.9 | Low | 65.5 | Low | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -103.8 | 108 | 168.9 | -86.4 | 119.1 | 0 | 0 | 0 | 109.7 | I5 V45 N55 V56 | I5-L53 HydrophobicContact CG2-CD1 4.26Å; I5-L53 HydrophobicContact CG2-CD2 3.48Å; I5-L53 VanDerWaalsContact CG2-CD2 3.48Å; I5-L53 HydrophobicContact CG2-CG 3.66Å; V45-L53 HydrophobicContact CG2-CD1 4.16Å; L53-N55 PolarHBondContact O-N 2.93Å; L53-V56 HydrophobicContact CB-CG2 4.05Å; L53-V56 HydrophobicContact CD2-CG2 4.09Å |
| 54 | P | 49.6 | Very low | 65.1 | Low | 120 Ų | 120 | 60.7 Ų | 60.7 | 78% | 0.779 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 121.3 | 170.4 | 4.9 | 9.3 | 0 | 0 | 0 | 108.2 | ||
| 55 | N | 55.8 | Low | 65 | Low | 118 Ų | 118 | 61.8 Ų | 61.8 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 42 | 161 | -85.6 | -3.6 | 0 | 0 | 0 | 118.6 | L53 D57 A58 | L53-N55 PolarHBondContact O-N 2.93Å; N55-D57 PolarHBondContact O-N 3.34Å; N55-A58 HydrophobicContact CB-CB 3.6Å; N55-A58 PolarHBondContact O-N 3.18Å |
| 56 | V | 61.1 | Low | 65 | Low | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -56.2 | -32.9 | 162.4 | 178.4 | 0 | 0 | 0 | 0 | 111 | L53 A58 L59 F68 | L53-V56 HydrophobicContact CB-CG2 4.05Å; L53-V56 HydrophobicContact CD2-CG2 4.09Å; V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.4Å; V56-L59 HydrophobicContact CG1-CD1 4.36Å; V56-L59 PolarHBondContact O-N 3.02Å; V56-F68 HydrophobicContact CG1-CE1 4.4Å |
| 57 | D | 61.5 | Low | 65 | Low | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -74.3 | -10.8 | 175.5 | -65.5 | -35.5 | 0 | 0 | 0 | 114.5 | N48 N55 K64 | N48-D57 PolarHBondContact ND2-OD1 2.96Å; N55-D57 PolarHBondContact O-N 3.34Å; D57-K64 IonicContact OD1-NZ 3.02Å; D57-K64 PolarHBondContact OD1-NZ 3.39Å |
| 58 | A | 63.9 | Low | 65.3 | Low | 66 Ų | 66 | 61.2 Ų | 61.2 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -92.8 | -4.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N55 V56 | N55-A58 HydrophobicContact CB-CB 3.6Å; N55-A58 PolarHBondContact O-N 3.18Å; V56-A58 VanDerWaalsContact C-N 3.27Å; V56-A58 PolarHBondContact O-N 3.4Å |
| 59 | L | 66.6 | Low | 66 | Low | 29 Ų | 29 | 63 Ų | 63 | 15% | 0.152 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -69.6 | 139.4 | 176.8 | -73.1 | 163.5 | 0 | 0 | 0 | 110.4 | C9 V56 Q63 K64 L67 | C9-L59 HydrophobicContact CB-CD2 4.42Å; V56-L59 HydrophobicContact CG1-CD1 4.36Å; V56-L59 PolarHBondContact O-N 3.02Å; L59-Q63 HydrophobicContact CB-CB 4.49Å; L59-Q63 HydrophobicContact CD2-CB 4.39Å; L59-K64 HydrophobicContact CB-CB 4.34Å; L59-L67 HydrophobicContact CD1-CD2 4.19Å |
| 60 | P | 70.6 | Confident | 67.3 | Low | 74 Ų | 74 | 59.9 Ų | 59.9 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | trans | -51.9 | 145.8 | 168.4 | -23.5 | 32.3 | 0 | 0 | 0 | 111.4 | D62 Q63 K64 | P60-D62 PolarHBondContact O-N 3.11Å; P60-D62 VanDerWaalsContact O-N 3.1Å; P60-Q63 HydrophobicContact CB-CG 4.34Å; P60-Q63 HydrophobicContact CG-CG 4.36Å; P60-Q63 PolarHBondContact O-N 2.92Å; P60-K64 PolarHBondContact O-N 3.19Å | ||
| 61 | G | 70.3 | Confident | 69.1 | Low | 51 Ų | 51 | 56 Ų | 56 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -52.3 | -38.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K64 S65 | G61-K64 PolarHBondContact O-N 3Å; G61-S65 WeakPolarHBondContact O-CB 3.35Å; G61-S65 PolarHBondContact O-N 3.32Å; G61-S65 PolarHBondContact O-OG 2.89Å |
| 62 | D | 72.3 | Confident | 71.1 | Confident | 113 Ų | 113 | 50.1 Ų | 50.1 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.6 | -41.9 | 179.5 | -57.4 | -21.6 | 0 | 0 | 0 | 112.1 | F12 P60 S65 A66 | F12-D62 HydrophobicContact CD2-CB 4.29Å; F12-D62 HydrophobicContact CE2-CB 3.56Å; F12-D62 HydrophobicContact CZ-CB 3.76Å; P60-D62 PolarHBondContact O-N 3.11Å; P60-D62 VanDerWaalsContact O-N 3.1Å; D62-S65 PolarHBondContact O-N 3.11Å; D62-A66 WeakPolarHBondContact O-CB 3.35Å; D62-A66 PolarHBondContact O-N 3.49Å |
| 63 | Q | 73.2 | Confident | 72.9 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 23% | 0.234 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 177.3 | -62.7 | -173.1 | -1.7 | 0 | 0 | 111.2 | F12 L59 P60 S65 A66 L67 | F12-Q63 HydrophobicContact CB-CB 4.22Å; F12-Q63 HydrophobicContact CB-CG 3.77Å; F12-Q63 HydrophobicContact CD1-CG 3.89Å; F12-Q63 HydrophobicContact CD2-CG 4.47Å; F12-Q63 HydrophobicContact CG-CB 4.5Å; F12-Q63 HydrophobicContact CG-CG 3.8Å; L59-Q63 HydrophobicContact CB-CB 4.49Å; L59-Q63 HydrophobicContact CD2-CB 4.39Å; P60-Q63 HydrophobicContact CB-CG 4.34Å; P60-Q63 HydrophobicContact CG-CG 4.36Å; P60-Q63 PolarHBondContact O-N 2.92Å; Q63-S65 VanDerWaalsContact C-N 3.34Å; Q63-A66 PolarHBondContact O-N 3.2Å; Q63-L67 WeakPolarHBondContact O-CB 3.42Å; Q63-L67 PolarHBondContact O-N 2.85Å |
| 64 | K | 75.5 | Confident | 74.5 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 14% | 0.143 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.2 | -171.3 | 168.8 | -177.5 | 169.2 | 0 | 111.3 | D57 L59 P60 G61 L67 F68 | D57-K64 IonicContact OD1-NZ 3.02Å; D57-K64 PolarHBondContact OD1-NZ 3.39Å; L59-K64 HydrophobicContact CB-CB 4.34Å; P60-K64 PolarHBondContact O-N 3.19Å; G61-K64 PolarHBondContact O-N 3Å; K64-L67 PolarHBondContact O-N 3Å; K64-F68 HydrophobicContact CD-CE2 4.3Å; K64-F68 HydrophobicContact CD-CZ 4.19Å; K64-F68 HydrophobicContact CG-CD2 4.3Å; K64-F68 HydrophobicContact CG-CE1 4.17Å; K64-F68 HydrophobicContact CG-CE2 3.85Å; K64-F68 HydrophobicContact CG-CZ 3.8Å; K64-F68 WeakPolarHBondContact O-CB 3.5Å; K64-F68 VanDerWaalsContact O-CG 3.24Å; K64-F68 WeakPolarHBondContact O-CG 3.36Å; K64-F68 PolarHBondContact O-N 3.43Å |
| 65 | S | 77.2 | Confident | 76.4 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.1 | -46.1 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | G61 D62 Q63 L67 F68 F69 | G61-S65 WeakPolarHBondContact O-CB 3.35Å; G61-S65 PolarHBondContact O-N 3.32Å; G61-S65 PolarHBondContact O-OG 2.89Å; D62-S65 PolarHBondContact O-N 3.11Å; Q63-S65 VanDerWaalsContact C-N 3.34Å; S65-L67 PolarHBondContact O-N 3.12Å; S65-F68 PolarHBondContact O-N 3.49Å; S65-F69 VanDerWaalsContact O-CD2 3.31Å; S65-F69 WeakPolarHBondContact O-CD2 3.33Å; S65-F69 PolarHBondContact O-N 3.17Å |
| 66 | A | 80.1 | Confident | 78.1 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F12 D62 Q63 F69 L70 | F12-A66 HydrophobicContact CB-CB 4.26Å; F12-A66 HydrophobicContact CD2-CB 3.85Å; D62-A66 WeakPolarHBondContact O-CB 3.35Å; D62-A66 PolarHBondContact O-N 3.49Å; Q63-A66 PolarHBondContact O-N 3.2Å; A66-F69 PolarHBondContact O-N 3.05Å; A66-L70 PolarHBondContact O-N 3.42Å |
| 67 | L | 82 | Confident | 79.3 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.4 | 176.7 | 60 | 0 | 0 | 0 | 111.7 | L8 V45 L59 Q63 K64 S65 L70 C71 | L8-L67 HydrophobicContact CB-CD1 3.94Å; L8-L67 HydrophobicContact CD2-CD1 3.89Å; L8-L67 HydrophobicContact CG-CD1 4.45Å; V45-L67 HydrophobicContact CG1-CD2 3.95Å; V45-L67 HydrophobicContact CG1-CG 4.08Å; L59-L67 HydrophobicContact CD1-CD2 4.19Å; Q63-L67 WeakPolarHBondContact O-CB 3.42Å; Q63-L67 PolarHBondContact O-N 2.85Å; K64-L67 PolarHBondContact O-N 3Å; S65-L67 PolarHBondContact O-N 3.12Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 3.41Å; L67-C71 PolarHBondContact O-N 3.38Å; L67-C71 PolarHBondContact O-SG 3.13Å |
| 68 | F | 84.3 | Confident | 80.6 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -42.5 | 177.3 | -72.9 | -4.8 | 0 | 0 | 0 | 112.1 | V45 L46 V56 K64 S65 L70 C71 C72 F117 | V45-F68 HydrophobicContact CG1-CD1 4.33Å; V45-F68 HydrophobicContact CG1-CE1 4.2Å; L46-F68 HydrophobicContact CD2-CB 4.09Å; L46-F68 HydrophobicContact CD2-CD1 4.02Å; L46-F68 HydrophobicContact CD2-CG 4.08Å; V56-F68 HydrophobicContact CG1-CE1 4.4Å; K64-F68 HydrophobicContact CD-CE2 4.3Å; K64-F68 HydrophobicContact CD-CZ 4.19Å; K64-F68 HydrophobicContact CG-CD2 4.3Å; K64-F68 HydrophobicContact CG-CE1 4.17Å; K64-F68 HydrophobicContact CG-CE2 3.85Å; K64-F68 HydrophobicContact CG-CZ 3.8Å; K64-F68 WeakPolarHBondContact O-CB 3.5Å; K64-F68 VanDerWaalsContact O-CG 3.24Å; K64-F68 WeakPolarHBondContact O-CG 3.36Å; K64-F68 PolarHBondContact O-N 3.43Å; S65-F68 PolarHBondContact O-N 3.49Å; F68-L70 VanDerWaalsContact C-N 3.34Å; F68-L70 PolarHBondContact O-N 3.42Å; F68-C71 PolarHBondContact O-N 2.96Å; F68-C72 WeakPolarHBondContact O-CB 3.47Å; F68-C72 PolarHBondContact O-N 2.75Å; F68-C72 PolarHBondContact O-SG 3.06Å; F68-F117 HydrophobicContact CB-CE2 3.79Å; F68-F117 HydrophobicContact CB-CZ 4.18Å; F68-F117 HydrophobicContact CD2-CE1 4.38Å; F68-F117 AromaticContact CD2-CE2 3.98Å; F68-F117 HydrophobicContact CD2-CE2 3.98Å; F68-F117 AromaticContact CD2-CZ 3.7Å; F68-F117 HydrophobicContact CD2-CZ 3.7Å; F68-F117 HydrophobicContact CE2-CZ 4.29Å; F68-F117 HydrophobicContact CG-CE2 4.22Å; F68-F117 HydrophobicContact CG-CZ 4.13Å |
| 69 | F | 84.2 | Confident | 81.7 | Confident | 94 Ų | 94 | 33.6 Ų | 33.6 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62 | -40.4 | 173.9 | -91.4 | -74.7 | 0 | 0 | 0 | 112.4 | S65 A66 C72 R73 Y116 | S65-F69 VanDerWaalsContact O-CD2 3.31Å; S65-F69 WeakPolarHBondContact O-CD2 3.33Å; S65-F69 PolarHBondContact O-N 3.17Å; A66-F69 PolarHBondContact O-N 3.05Å; F69-C72 PolarHBondContact O-N 2.77Å; F69-R73 VanDerWaalsContact O-CB 3.29Å; F69-R73 WeakPolarHBondContact O-CB 3.41Å; F69-R73 PolarHBondContact O-N 3.44Å; F69-Y116 AromaticContact CE2-CD2 3.92Å; F69-Y116 HydrophobicContact CE2-CD2 3.92Å; F69-Y116 AromaticContact CE2-CE2 3.59Å; F69-Y116 HydrophobicContact CE2-CE2 3.59Å; F69-Y116 AromaticContact CZ-CD2 3.61Å; F69-Y116 HydrophobicContact CZ-CD2 3.61Å; F69-Y116 AromaticContact CZ-CE2 3.82Å; F69-Y116 HydrophobicContact CZ-CE2 3.82Å |
| 70 | L | 85.5 | Confident | 82.6 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 173.9 | -179.6 | 71 | 0 | 0 | 0 | 111.2 | L8 V11 V26 I30 L33 A66 L67 F68 R73 A74 | L8-L70 HydrophobicContact CD2-CD2 4.39Å; V11-L70 HydrophobicContact CB-CD2 4.25Å; V11-L70 HydrophobicContact CG1-CB 4.23Å; V11-L70 HydrophobicContact CG1-CD2 3.8Å; V11-L70 HydrophobicContact CG1-CG 4.47Å; V11-L70 HydrophobicContact CG2-CD2 3.45Å; V11-L70 VanDerWaalsContact CG2-CD2 3.45Å; V26-L70 HydrophobicContact CG1-CD1 4.42Å; I30-L70 HydrophobicContact CD1-CD1 4.12Å; I30-L70 HydrophobicContact CG1-CD1 3.4Å; I30-L70 VanDerWaalsContact CG1-CD1 3.4Å; L33-L70 HydrophobicContact CD1-CD2 3.69Å; L33-L70 HydrophobicContact CD1-CG 3.93Å; A66-L70 PolarHBondContact O-N 3.42Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 3.41Å; F68-L70 VanDerWaalsContact C-N 3.34Å; F68-L70 PolarHBondContact O-N 3.42Å; L70-R73 PolarHBondContact O-N 2.87Å; L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 3.26Å |
| 71 | C | 86.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 178 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | C42 L46 L67 F68 R73 A74 L75 | C42-C71 HydrophobicContact CB-CB 3.81Å; L46-C71 HydrophobicContact CD1-CB 4.14Å; L46-C71 HydrophobicContact CD2-CB 4.21Å; L46-C71 HydrophobicContact CG-CB 4.05Å; L67-C71 PolarHBondContact O-N 3.38Å; L67-C71 PolarHBondContact O-SG 3.13Å; F68-C71 PolarHBondContact O-N 2.96Å; C71-R73 VanDerWaalsContact C-N 3.29Å; C71-R73 PolarHBondContact O-N 3.27Å; C71-A74 PolarHBondContact O-N 2.93Å; C71-L75 WeakPolarHBondContact O-CG 3.4Å; C71-L75 PolarHBondContact O-N 3.33Å |
| 72 | C | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 175.2 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | F68 F69 E76 K120 L124 | F68-C72 WeakPolarHBondContact O-CB 3.47Å; F68-C72 PolarHBondContact O-N 2.75Å; F68-C72 PolarHBondContact O-SG 3.06Å; F69-C72 PolarHBondContact O-N 2.77Å; C72-E76 WeakPolarHBondContact O-CB 3.28Å; C72-E76 PolarHBondContact O-N 3.23Å; C72-K120 HydrophobicContact CB-CD 4.42Å; C72-K120 HydrophobicContact CB-CG 3.77Å; C72-L124 HydrophobicContact CB-CD1 4.03Å |
| 73 | R | 88.2 | Confident | 83.9 | Confident | 101 Ų | 101 | 41 Ų | 41 | 38% | 0.381 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 177.3 | -177.9 | 61.8 | -170.8 | 168.4 | 4.4 | 112 | I30 F69 L70 C71 E76 E77 | I30-R73 HydrophobicContact CD1-CG 4.19Å; I30-R73 HydrophobicContact CG2-CG 4.46Å; F69-R73 VanDerWaalsContact O-CB 3.29Å; F69-R73 WeakPolarHBondContact O-CB 3.41Å; F69-R73 PolarHBondContact O-N 3.44Å; L70-R73 PolarHBondContact O-N 2.87Å; C71-R73 VanDerWaalsContact C-N 3.29Å; C71-R73 PolarHBondContact O-N 3.27Å; R73-E76 VanDerWaalsContact NH1-CD 3.29Å; R73-E76 IonicContact NH1-OE1 3.55Å; R73-E76 PolarHBondContact NH1-OE1 3.45Å; R73-E76 IonicContact NH1-OE2 3.83Å; R73-E76 PolarHBondContact NH1-OE2 3.18Å; R73-E76 WeakPolarHBondContact O-CB 3.43Å; R73-E76 PolarHBondContact O-N 3.41Å; R73-E77 IonicContact CZ-OE1 2.76Å; R73-E77 IonicContact NE-OE1 3.47Å; R73-E77 PolarHBondContact NE-OE1 3.15Å; R73-E77 VanDerWaalsContact NE-OE1 3.16Å; R73-E77 IonicContact NH2-OE1 3.97Å; R73-E77 PolarHBondContact NH2-OE1 3.43Å; R73-E77 PolarHBondContact O-N 3.02Å |
| 74 | A | 87.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L33 S34 L70 C71 E77 N78 | L33-A74 HydrophobicContact CB-CB 3.47Å; L33-A74 VanDerWaalsContact CB-CB 3.47Å; S34-A74 VanDerWaalsContact OG-CA 3.29Å; S34-A74 WeakPolarHBondContact OG-CA 3.44Å; S34-A74 PolarHBondContact OG-O 2.77Å; L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 3.26Å; C71-A74 PolarHBondContact O-N 2.93Å; A74-E77 PolarHBondContact O-N 2.88Å; A74-N78 WeakPolarHBondContact O-CB 3.33Å; A74-N78 PolarHBondContact O-N 2.92Å |
| 75 | L | 89.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 172.7 | -69.3 | 172.8 | 0 | 0 | 0 | 111.8 | W39 C42 T43 L46 C71 E77 N78 L79 F93 F96 L124 | W39-L75 HydrophobicContact CB-CD2 4.05Å; W39-L75 HydrophobicContact CE3-CD2 3.95Å; C42-L75 HydrophobicContact CB-CD1 4.3Å; C42-L75 HydrophobicContact CB-CD2 4.2Å; C42-L75 HydrophobicContact CB-CG 4.01Å; T43-L75 HydrophobicContact CG2-CD1 4.48Å; T43-L75 HydrophobicContact CG2-CD2 4.03Å; L46-L75 HydrophobicContact CD1-CD1 3.58Å; C71-L75 WeakPolarHBondContact O-CG 3.4Å; C71-L75 PolarHBondContact O-N 3.33Å; L75-E77 PolarHBondContact O-N 2.86Å; L75-N78 PolarHBondContact O-N 3.43Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.25Å; L75-L79 PolarHBondContact O-N 3.23Å; L75-F93 HydrophobicContact CD2-CE2 4.31Å; L75-F96 HydrophobicContact CD1-CE1 4.1Å; L75-F96 HydrophobicContact CD1-CZ 4.15Å; L75-L124 HydrophobicContact CB-CD1 4.27Å; L75-L124 HydrophobicContact CB-CD2 4.11Å; L75-L124 HydrophobicContact CD1-CD1 4.23Å |
| 76 | E | 90.3 | Very high | 84.6 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -45.1 | 176.3 | -166.1 | -167.6 | 143.9 | 0 | 0 | 111.9 | C72 R73 L79 K80 K120 L124 L127 | C72-E76 WeakPolarHBondContact O-CB 3.28Å; C72-E76 PolarHBondContact O-N 3.23Å; R73-E76 VanDerWaalsContact NH1-CD 3.29Å; R73-E76 IonicContact NH1-OE1 3.55Å; R73-E76 PolarHBondContact NH1-OE1 3.45Å; R73-E76 IonicContact NH1-OE2 3.83Å; R73-E76 PolarHBondContact NH1-OE2 3.18Å; R73-E76 WeakPolarHBondContact O-CB 3.43Å; R73-E76 PolarHBondContact O-N 3.41Å; E76-L79 PolarHBondContact O-N 3.07Å; E76-K80 HydrophobicContact CG-CD 4.26Å; E76-K80 WeakPolarHBondContact O-CB 3.38Å; E76-K80 WeakPolarHBondContact O-CG 3.27Å; E76-K80 PolarHBondContact O-N 3Å; E76-K80 IonicContact OE1-NZ 2.79Å; E76-K80 PolarHBondContact OE1-NZ 3.39Å; E76-K120 IonicContact OE2-NZ 3.33Å; E76-K120 PolarHBondContact OE2-NZ 3.03Å; E76-L124 HydrophobicContact CB-CD2 3.92Å; E76-L127 HydrophobicContact CB-CD1 4.44Å; E76-L127 HydrophobicContact CG-CD1 3.53Å |
| 77 | E | 87.2 | Confident | 84.3 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 177.7 | -75.4 | -173 | -167 | 0 | 0 | 112.6 | I30 S34 R73 A74 L75 S81 | I30-E77 VanDerWaalsContact CG2-CD 3.46Å; I30-E77 HydrophobicContact CG2-CG 4.47Å; I30-E77 WeakPolarHBondContact CG2-OE2 3.23Å; S34-E77 WeakPolarHBondContact OG-CB 3.36Å; R73-E77 IonicContact CZ-OE1 2.76Å; R73-E77 IonicContact NE-OE1 3.47Å; R73-E77 PolarHBondContact NE-OE1 3.15Å; R73-E77 VanDerWaalsContact NE-OE1 3.16Å; R73-E77 IonicContact NH2-OE1 3.97Å; R73-E77 PolarHBondContact NH2-OE1 3.43Å; R73-E77 PolarHBondContact O-N 3.02Å; A74-E77 PolarHBondContact O-N 2.88Å; L75-E77 PolarHBondContact O-N 2.86Å; E77-S81 PolarHBondContact O-N 3.22Å |
| 78 | N | 88.2 | Confident | 84.4 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 172.4 | 179.4 | -97.9 | 0 | 0 | 0 | 111.3 | S34 W39 A74 L75 K80 S81 R131 | S34-N78 PolarHBondContact O-ND2 3.02Å; W39-N78 HydrophobicContact CB-CB 4.43Å; A74-N78 WeakPolarHBondContact O-CB 3.33Å; A74-N78 PolarHBondContact O-N 2.92Å; L75-N78 PolarHBondContact O-N 3.43Å; N78-K80 VanDerWaalsContact C-N 3.33Å; N78-K80 PolarHBondContact O-N 3.05Å; N78-S81 WeakPolarHBondContact O-CB 3.48Å; N78-S81 PolarHBondContact O-N 3.23Å; N78-R131 PolarHBondContact O-NH1 3.2Å |
| 79 | L | 87.2 | Confident | 84.5 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -34.2 | -179.9 | -70.1 | 171.5 | 0 | 0 | 0 | 112.8 | L75 E76 S81 F93 L124 L127 A128 R131 Y132 | L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.25Å; L75-L79 PolarHBondContact O-N 3.23Å; E76-L79 PolarHBondContact O-N 3.07Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.42Å; L79-F93 HydrophobicContact CD1-CE2 4.01Å; L79-F93 HydrophobicContact CD1-CZ 3.79Å; L79-F93 HydrophobicContact CD2-CD2 4.31Å; L79-F93 HydrophobicContact CD2-CE2 3.99Å; L79-F93 HydrophobicContact CD2-CZ 4.21Å; L79-F93 HydrophobicContact CG-CE2 4.25Å; L79-F93 HydrophobicContact CG-CZ 4.45Å; L79-L124 HydrophobicContact CD1-CB 4.48Å; L79-L124 HydrophobicContact CD1-CD2 4.1Å; L79-L124 VanDerWaalsContact CD1-O 3.3Å; L79-L124 WeakPolarHBondContact CD1-O 3.48Å; L79-L127 HydrophobicContact CB-CB 3.95Å; L79-L127 HydrophobicContact CD1-CB 3.78Å; L79-L127 HydrophobicContact CG-CB 4.48Å; L79-A128 HydrophobicContact CD1-CB 4.41Å; L79-A128 HydrophobicContact CD2-CB 4.11Å; L79-R131 WeakPolarHBondContact O-CD 3.46Å; L79-R131 PolarHBondContact O-NH1 2.99Å; L79-R131 VanDerWaalsContact O-NH1 3.13Å; L79-Y132 HydrophobicContact CD2-CE2 3.61Å |
| 80 | K | 86.3 | Confident | 84.6 | Confident | 105 Ų | 105 | 51.4 Ų | 51.4 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1 | 176.5 | -71.3 | 177.8 | 174.9 | 176.4 | 0 | 114.4 | E76 N78 L127 | E76-K80 HydrophobicContact CG-CD 4.26Å; E76-K80 WeakPolarHBondContact O-CB 3.38Å; E76-K80 WeakPolarHBondContact O-CG 3.27Å; E76-K80 PolarHBondContact O-N 3Å; E76-K80 IonicContact OE1-NZ 2.79Å; E76-K80 PolarHBondContact OE1-NZ 3.39Å; N78-K80 VanDerWaalsContact C-N 3.33Å; N78-K80 PolarHBondContact O-N 3.05Å; K80-L127 HydrophobicContact CG-CD1 4.45Å; K80-L127 HydrophobicContact CG-CD2 4.22Å |
| 81 | S | 83.5 | Confident | 84.6 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 26% | 0.259 | 30% | 0.3 | S | S | . | . | trans | -70.3 | 138.7 | -177.8 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | E77 N78 L79 L83 R131 | E77-S81 PolarHBondContact O-N 3.22Å; N78-S81 WeakPolarHBondContact O-CB 3.48Å; N78-S81 PolarHBondContact O-N 3.23Å; L79-S81 VanDerWaalsContact C-N 3.29Å; L79-S81 PolarHBondContact O-N 3.42Å; S81-L83 PolarHBondContact O-N 3.04Å; S81-L83 WeakPolarHBondContact OG-CB 3.43Å; S81-L83 WeakPolarHBondContact OG-CD1 3.3Å; S81-L83 WeakPolarHBondContact OG-CG 3.04Å; S81-L83 PolarHBondContact OG-N 3.24Å; S81-R131 PolarHBondContact O-NH1 2.94Å | ||
| 82 | D | 76.7 | Confident | 84.6 | Confident | 172 Ų | 172 | 62.8 Ų | 62.8 | 92% | 0.92 | 32% | 0.324 | S | S | * | . | trans | -78.8 | 4.8 | 172.8 | -63.5 | -39.4 | 0 | 0 | 0 | 113.6 | ||||
| 83 | L | 79.1 | Confident | 84.7 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 58% | 0.576 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -67.4 | 143.2 | 178.4 | -71.3 | 168 | 0 | 0 | 0 | 111.5 | S81 V85 R131 | S81-L83 PolarHBondContact O-N 3.04Å; S81-L83 WeakPolarHBondContact OG-CB 3.43Å; S81-L83 WeakPolarHBondContact OG-CD1 3.3Å; S81-L83 WeakPolarHBondContact OG-CG 3.04Å; S81-L83 PolarHBondContact OG-N 3.24Å; L83-V85 PolarHBondContact O-N 3.36Å; L83-R131 PolarHBondContact O-NH2 3.48Å |
| 84 | P | 80.5 | Confident | 84.7 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 136.6 | 177.5 | 25.9 | -33.8 | 0 | 0 | 0 | 110.9 | Q86 | P84-Q86 PolarHBondContact O-N 2.98Š|
| 85 | V | 81.4 | Confident | 84.8 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 124.9 | 179.7 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | L83 E89 R131 Y132 H136 | L83-V85 PolarHBondContact O-N 3.36Å; V85-E89 HydrophobicContact CG1-CB 4.19Å; V85-R131 HydrophobicContact CG2-CG 4.27Å; V85-Y132 HydrophobicContact CG1-CD1 3.97Å; V85-Y132 HydrophobicContact CG1-CE1 3.86Å; V85-Y132 HydrophobicContact CG2-CD1 4.24Å; V85-Y132 HydrophobicContact CG2-CE1 4.24Å; V85-H136 HydrophobicContact CG1-CB 4.44Å |
| 86 | Q | 80.1 | Confident | 84.8 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 149.2 | 179.6 | -64.7 | -67.7 | -6.8 | 0 | 0 | 111.4 | E36 P84 D88 E89 | E36-Q86 PolarHBondContact OE1-NE2 3.41Å; P84-Q86 PolarHBondContact O-N 2.98Å; Q86-D88 PolarHBondContact O-N 3.45Å; Q86-E89 HydrophobicContact CB-CB 4.28Å; Q86-E89 PolarHBondContact N-OE2 3.22Å; Q86-E89 WeakPolarHBondContact O-CB 3.39Å; Q86-E89 PolarHBondContact O-N 3.36Å; Q86-E89 VanDerWaalsContact O-N 3.12Å |
| 87 | P | 72.7 | Confident | 84.8 | Confident | 105 Ų | 105 | 61.1 Ų | 61.1 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 129.3 | 169 | 26.5 | -31.8 | 0 | 0 | 0 | 108.3 | ||
| 88 | D | 83.9 | Confident | 84.8 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 59% | 0.594 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -15.9 | -173.7 | -46.7 | -25.4 | 0 | 0 | 0 | 117.3 | Q86 Q91 K92 | Q86-D88 PolarHBondContact O-N 3.45Å; D88-Q91 PolarHBondContact O-N 3.49Å; D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 2.89Å |
| 89 | E | 86.5 | Confident | 84.8 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -52 | -179.8 | -177.8 | -175.4 | 147.2 | 0 | 0 | 111.2 | W39 V85 Q86 Q91 K92 F93 R131 Y132 | W39-E89 HydrophobicContact CZ2-CG 3.92Å; V85-E89 HydrophobicContact CG1-CB 4.19Å; Q86-E89 HydrophobicContact CB-CB 4.28Å; Q86-E89 PolarHBondContact N-OE2 3.22Å; Q86-E89 WeakPolarHBondContact O-CB 3.39Å; Q86-E89 PolarHBondContact O-N 3.36Å; Q86-E89 VanDerWaalsContact O-N 3.12Å; E89-Q91 PolarHBondContact O-N 3.08Å; E89-K92 PolarHBondContact O-N 3.4Å; E89-F93 PolarHBondContact O-N 2.87Å; E89-R131 IonicContact OE1-CZ 3.47Å; E89-R131 IonicContact OE1-NE 2.93Å; E89-R131 PolarHBondContact OE1-NE 3.39Å; E89-R131 IonicContact OE1-NH2 3.18Å; E89-R131 PolarHBondContact OE1-NH2 3.38Å; E89-Y132 HydrophobicContact CG-CE1 4.11Å; E89-Y132 PolarHBondContact OE1-OH 3.46Å |
| 90 | A | 85.6 | Confident | 84.8 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F93 A94 Y132 H136 | A90-F93 PolarHBondContact O-N 3.04Å; A90-A94 VanDerWaalsContact O-CB 3.26Å; A90-A94 WeakPolarHBondContact O-CB 3.5Å; A90-A94 PolarHBondContact O-N 3.04Å; A90-Y132 HydrophobicContact CB-CD1 3.77Å; A90-Y132 HydrophobicContact CB-CE1 4.23Å; A90-Y132 HydrophobicContact CB-CG 4.02Å; A90-H136 HydrophobicContact CB-CB 3.75Å |
| 91 | Q | 87.2 | Confident | 84.8 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 60% | 0.598 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.9 | -38.9 | -179.3 | -172.5 | 62.9 | 33.6 | 0 | 0 | 112.4 | D88 E89 A94 T95 | D88-Q91 PolarHBondContact O-N 3.49Å; E89-Q91 PolarHBondContact O-N 3.08Å; Q91-A94 PolarHBondContact O-N 2.88Å; Q91-T95 PolarHBondContact O-N 3.49Å; Q91-T95 PolarHBondContact O-OG1 2.9Å |
| 92 | K | 86.8 | Confident | 85 | Confident | 116 Ų | 116 | 61 Ų | 61 | 50% | 0.504 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 174.5 | -73.9 | 170.9 | -175 | 169.1 | 0 | 110.7 | W39 D88 E89 T95 F96 | W39-K92 HydrophobicContact CH2-CB 3.63Å; W39-K92 HydrophobicContact CZ2-CB 4.26Å; W39-K92 HydrophobicContact CZ2-CD 4.46Å; D88-K92 WeakPolarHBondContact O-CB 3.36Å; D88-K92 WeakPolarHBondContact O-CG 3.3Å; D88-K92 PolarHBondContact O-N 2.89Å; E89-K92 PolarHBondContact O-N 3.4Å; K92-T95 PolarHBondContact O-N 3.27Å; K92-F96 PolarHBondContact O-N 3.43Å |
| 93 | F | 89.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 177.2 | -162.2 | -80.1 | 0 | 0 | 0 | 111.5 | W39 L75 L79 E89 A90 T95 F96 A97 A128 Y132 W137 | W39-F93 HydrophobicContact CE3-CD2 4.37Å; W39-F93 HydrophobicContact CH2-CB 4.16Å; W39-F93 HydrophobicContact CZ3-CB 4.22Å; W39-F93 AromaticContact CZ3-CD2 3.88Å; W39-F93 HydrophobicContact CZ3-CD2 3.88Å; L75-F93 HydrophobicContact CD2-CE2 4.31Å; L79-F93 HydrophobicContact CD1-CE2 4.01Å; L79-F93 HydrophobicContact CD1-CZ 3.79Å; L79-F93 HydrophobicContact CD2-CD2 4.31Å; L79-F93 HydrophobicContact CD2-CE2 3.99Å; L79-F93 HydrophobicContact CD2-CZ 4.21Å; L79-F93 HydrophobicContact CG-CE2 4.25Å; L79-F93 HydrophobicContact CG-CZ 4.45Å; E89-F93 PolarHBondContact O-N 2.87Å; A90-F93 PolarHBondContact O-N 3.04Å; F93-T95 PolarHBondContact O-N 2.79Å; F93-F96 HydrophobicContact CD2-CD1 4.47Å; F93-F96 HydrophobicContact CE1-CD1 4.47Å; F93-F96 HydrophobicContact CE2-CD1 4.25Å; F93-F96 HydrophobicContact CE2-CE1 4.42Å; F93-F96 HydrophobicContact CZ-CD1 4.24Å; F93-F96 HydrophobicContact CZ-CE1 4.28Å; F93-F96 WeakPolarHBondContact O-CB 3.43Å; F93-F96 PolarHBondContact O-N 3Å; F93-A97 HydrophobicContact CD1-CB 4.31Å; F93-A97 HydrophobicContact CE1-CB 4.21Å; F93-A97 WeakPolarHBondContact O-CB 3.36Å; F93-A97 PolarHBondContact O-N 3.26Å; F93-A128 HydrophobicContact CD1-CB 3.77Å; F93-A128 HydrophobicContact CE1-CB 3.33Å; F93-A128 HydrophobicContact CZ-CB 4.02Å; F93-Y132 HydrophobicContact CB-CE2 3.93Å; F93-Y132 HydrophobicContact CD1-CE2 4.07Å; F93-Y132 HydrophobicContact CD2-CE2 4.41Å; F93-Y132 AromaticContact CG-CE2 3.87Å; F93-Y132 HydrophobicContact CG-CE2 3.87Å; F93-W137 HydrophobicContact CD1-CZ3 4.3Å |
| 94 | A | 88.9 | Confident | 85.4 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A90 Q91 F96 A97 C98 W137 | A90-A94 VanDerWaalsContact O-CB 3.26Å; A90-A94 WeakPolarHBondContact O-CB 3.5Å; A90-A94 PolarHBondContact O-N 3.04Å; Q91-A94 PolarHBondContact O-N 2.88Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 2.89Å; A94-A97 PolarHBondContact O-N 2.97Å; A94-C98 WeakPolarHBondContact O-CB 3.05Å; A94-C98 PolarHBondContact O-N 3.14Å; A94-C98 PolarHBondContact O-SG 3.03Å; A94-C98 VanDerWaalsContact O-SG 3.34Å; A94-W137 VanDerWaalsContact CA-CH2 3.48Å; A94-W137 HydrophobicContact CB-CD2 3.69Å; A94-W137 HydrophobicContact CB-CE3 4.03Å; A94-W137 HydrophobicContact CB-CG 4.37Å; A94-W137 HydrophobicContact CB-CH2 3.82Å; A94-W137 HydrophobicContact CB-CZ2 3.4Å; A94-W137 HydrophobicContact CB-CZ3 4.1Å |
| 95 | T | 88.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 45.4 Ų | 45.4 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 177 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | Q91 K92 F93 Q99 | Q91-T95 PolarHBondContact O-N 3.49Å; Q91-T95 PolarHBondContact O-OG1 2.9Å; K92-T95 PolarHBondContact O-N 3.27Å; F93-T95 PolarHBondContact O-N 2.79Å; T95-Q99 WeakPolarHBondContact O-CB 3.27Å; T95-Q99 VanDerWaalsContact O-CG 3.26Å; T95-Q99 WeakPolarHBondContact O-CG 3.39Å; T95-Q99 PolarHBondContact O-N 2.84Å; T95-Q99 VanDerWaalsContact O-N 3.09Å |
| 96 | F | 90.5 | Very high | 85.4 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -52.3 | 175.3 | 161.3 | -108.1 | 0 | 0 | 0 | 111.8 | T43 L46 L47 L75 K92 F93 A94 C98 Q99 W100 | T43-F96 HydrophobicContact CG2-CB 3.94Å; T43-F96 HydrophobicContact CG2-CD1 3.69Å; T43-F96 HydrophobicContact CG2-CD2 3.71Å; T43-F96 HydrophobicContact CG2-CE1 4.1Å; T43-F96 HydrophobicContact CG2-CE2 4.12Å; T43-F96 HydrophobicContact CG2-CG 3.47Å; T43-F96 VanDerWaalsContact CG2-CG 3.47Å; T43-F96 HydrophobicContact CG2-CZ 4.3Å; L46-F96 HydrophobicContact CB-CE2 3.97Å; L46-F96 HydrophobicContact CB-CZ 4.3Å; L46-F96 HydrophobicContact CD1-CE2 4.27Å; L46-F96 HydrophobicContact CD1-CZ 3.83Å; L47-F96 HydrophobicContact CD1-CD2 3.69Å; L47-F96 HydrophobicContact CD1-CE2 4.41Å; L47-F96 HydrophobicContact CD2-CD2 4.34Å; L47-F96 HydrophobicContact CD2-CE2 4.48Å; L47-F96 HydrophobicContact CG-CD2 3.76Å; L47-F96 HydrophobicContact CG-CE2 3.99Å; L75-F96 HydrophobicContact CD1-CE1 4.1Å; L75-F96 HydrophobicContact CD1-CZ 4.15Å; K92-F96 PolarHBondContact O-N 3.43Å; F93-F96 HydrophobicContact CD2-CD1 4.47Å; F93-F96 HydrophobicContact CE1-CD1 4.47Å; F93-F96 HydrophobicContact CE2-CD1 4.25Å; F93-F96 HydrophobicContact CE2-CE1 4.42Å; F93-F96 HydrophobicContact CZ-CD1 4.24Å; F93-F96 HydrophobicContact CZ-CE1 4.28Å; F93-F96 WeakPolarHBondContact O-CB 3.43Å; F93-F96 PolarHBondContact O-N 3Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 2.89Å; F96-C98 PolarHBondContact O-N 2.99Å; F96-Q99 PolarHBondContact O-N 3.01Å; F96-W100 HydrophobicContact CD2-CB 4.46Å; F96-W100 HydrophobicContact CE1-CD2 4.46Å; F96-W100 AromaticContact CE1-CE3 3.83Å; F96-W100 HydrophobicContact CE1-CE3 3.83Å; F96-W100 HydrophobicContact CE1-CZ3 4.27Å; F96-W100 HydrophobicContact CE2-CB 4.1Å; F96-W100 HydrophobicContact CE2-CD2 4.13Å; F96-W100 HydrophobicContact CE2-CE3 4.31Å; F96-W100 HydrophobicContact CE2-CG 4.06Å; F96-W100 HydrophobicContact CZ-CB 4.31Å; F96-W100 AromaticContact CZ-CD2 3.69Å; F96-W100 HydrophobicContact CZ-CD2 3.69Å; F96-W100 AromaticContact CZ-CE3 3.46Å; F96-W100 HydrophobicContact CZ-CE3 3.46Å; F96-W100 VanDerWaalsContact CZ-CE3 3.46Å; F96-W100 HydrophobicContact CZ-CG 4.1Å; F96-W100 AromaticContact CZ-CZ3 3.98Å; F96-W100 HydrophobicContact CZ-CZ3 3.98Å; F96-W100 VanDerWaalsContact O-CB 3.28Å; F96-W100 WeakPolarHBondContact O-CB 3.47Å; F96-W100 PolarHBondContact O-N 3.41Å |
| 97 | A | 89.5 | Confident | 85 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F93 A94 Q99 W100 L101 I125 W137 | F93-A97 HydrophobicContact CD1-CB 4.31Å; F93-A97 HydrophobicContact CE1-CB 4.21Å; F93-A97 WeakPolarHBondContact O-CB 3.36Å; F93-A97 PolarHBondContact O-N 3.26Å; A94-A97 PolarHBondContact O-N 2.97Å; A97-Q99 PolarHBondContact O-N 3.37Å; A97-W100 PolarHBondContact O-N 2.88Å; A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CG 3.37Å; A97-L101 PolarHBondContact O-N 2.83Å; A97-I125 HydrophobicContact CB-CG1 4.46Å; A97-W137 HydrophobicContact CB-CH2 3.95Å |
| 98 | C | 88.4 | Confident | 84.6 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 177.6 | -66.3 | 0 | 0 | 0 | 0 | 112.8 | A94 F96 R102 L147 | A94-C98 WeakPolarHBondContact O-CB 3.05Å; A94-C98 PolarHBondContact O-N 3.14Å; A94-C98 PolarHBondContact O-SG 3.03Å; A94-C98 VanDerWaalsContact O-SG 3.34Å; F96-C98 PolarHBondContact O-N 2.99Å; C98-R102 WeakPolarHBondContact O-CG 3.36Å; C98-R102 PolarHBondContact O-N 3.35Å; C98-R102 VanDerWaalsContact O-N 3.11Å; C98-L147 HydrophobicContact CB-CD1 4.12Å |
| 99 | Q | 86.9 | Confident | 83.5 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.3 | -38.1 | 176.2 | -73.7 | 177.1 | 2.5 | 0 | 0 | 111.9 | L47 T95 F96 A97 R102 Y103 | L47-Q99 HydrophobicContact CD1-CB 4.09Å; L47-Q99 VanDerWaalsContact CD1-OE1 3.26Å; L47-Q99 HydrophobicContact CD2-CB 3.74Å; T95-Q99 WeakPolarHBondContact O-CB 3.27Å; T95-Q99 VanDerWaalsContact O-CG 3.26Å; T95-Q99 WeakPolarHBondContact O-CG 3.39Å; T95-Q99 PolarHBondContact O-N 2.84Å; T95-Q99 VanDerWaalsContact O-N 3.09Å; F96-Q99 PolarHBondContact O-N 3.01Å; A97-Q99 PolarHBondContact O-N 3.37Å; Q99-R102 PolarHBondContact O-N 2.99Å; Q99-Y103 PolarHBondContact O-N 2.78Å |
| 100 | W | 88 | Confident | 82.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.2 | -42.6 | -177.9 | -162.5 | 34.3 | 0 | 0 | 0 | 111.1 | L46 L47 F96 A97 R102 Y103 F104 F117 A121 L124 | L46-W100 HydrophobicContact CD1-CZ2 4.4Å; L46-W100 HydrophobicContact CD2-CZ2 4.39Å; L47-W100 HydrophobicContact CD2-CB 3.88Å; L47-W100 HydrophobicContact CD2-CG 4.38Å; F96-W100 HydrophobicContact CD2-CB 4.46Å; F96-W100 HydrophobicContact CE1-CD2 4.46Å; F96-W100 AromaticContact CE1-CE3 3.83Å; F96-W100 HydrophobicContact CE1-CE3 3.83Å; F96-W100 HydrophobicContact CE1-CZ3 4.27Å; F96-W100 HydrophobicContact CE2-CB 4.1Å; F96-W100 HydrophobicContact CE2-CD2 4.13Å; F96-W100 HydrophobicContact CE2-CE3 4.31Å; F96-W100 HydrophobicContact CE2-CG 4.06Å; F96-W100 HydrophobicContact CZ-CB 4.31Å; F96-W100 AromaticContact CZ-CD2 3.69Å; F96-W100 HydrophobicContact CZ-CD2 3.69Å; F96-W100 AromaticContact CZ-CE3 3.46Å; F96-W100 HydrophobicContact CZ-CE3 3.46Å; F96-W100 VanDerWaalsContact CZ-CE3 3.46Å; F96-W100 HydrophobicContact CZ-CG 4.1Å; F96-W100 AromaticContact CZ-CZ3 3.98Å; F96-W100 HydrophobicContact CZ-CZ3 3.98Å; F96-W100 VanDerWaalsContact O-CB 3.28Å; F96-W100 WeakPolarHBondContact O-CB 3.47Å; F96-W100 PolarHBondContact O-N 3.41Å; A97-W100 PolarHBondContact O-N 2.88Å; W100-R102 PolarHBondContact O-N 2.71Å; W100-Y103 WeakPolarHBondContact O-CB 3.39Å; W100-Y103 PolarHBondContact O-N 2.97Å; W100-Y103 VanDerWaalsContact O-N 3.14Å; W100-F104 AromaticContact CD1-CE2 3.74Å; W100-F104 AromaticContact CD2-CE2 3.73Å; W100-F104 HydrophobicContact CD2-CE2 3.73Å; W100-F104 AromaticContact CE2-CE2 3.44Å; W100-F104 VanDerWaalsContact CE2-CE2 3.44Å; W100-F104 AromaticContact CE2-CZ 3.83Å; W100-F104 HydrophobicContact CE3-CE2 4.44Å; W100-F104 HydrophobicContact CG-CD2 4.42Å; W100-F104 AromaticContact CG-CE2 3.91Å; W100-F104 HydrophobicContact CG-CE2 3.91Å; W100-F104 AromaticContact CZ2-CE2 3.92Å; W100-F104 HydrophobicContact CZ2-CE2 3.92Å; W100-F104 AromaticContact CZ2-CZ 3.95Å; W100-F104 HydrophobicContact CZ2-CZ 3.95Å; W100-F104 AromaticContact NE1-CE2 3.44Å; W100-F104 AromaticContact NE1-CZ 3.78Å; W100-F104 WeakPolarHBondContact O-CD2 3.25Å; W100-F104 PolarHBondContact O-N 3.16Å; W100-F104 VanDerWaalsContact O-N 3.07Å; W100-F117 AromaticContact CZ2-CE1 3.88Å; W100-F117 HydrophobicContact CZ2-CE1 3.88Å; W100-F117 HydrophobicContact CZ2-CE2 4.22Å; W100-F117 AromaticContact CZ2-CZ 3.69Å; W100-F117 HydrophobicContact CZ2-CZ 3.69Å; W100-F117 AromaticContact NE1-CE1 3.95Å; W100-A121 HydrophobicContact CD2-CB 4.31Å; W100-A121 HydrophobicContact CE3-CB 3.84Å; W100-A121 HydrophobicContact CH2-CB 3.5Å; W100-A121 HydrophobicContact CZ2-CB 4Å; W100-A121 VanDerWaalsContact CZ3-CA 3.44Å; W100-A121 HydrophobicContact CZ3-CB 3.42Å; W100-A121 VanDerWaalsContact CZ3-CB 3.42Å; W100-L124 HydrophobicContact CH2-CD1 4.01Å; W100-L124 HydrophobicContact CZ3-CD1 3.92Å |
| 101 | L | 86.5 | Confident | 81.3 | Confident | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 170.5 | -74.2 | 176.5 | 0 | 0 | 0 | 112.1 | A97 Y103 F104 I105 I125 L144 L147 I173 | A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 WeakPolarHBondContact O-CG 3.37Å; A97-L101 PolarHBondContact O-N 2.83Å; L101-Y103 VanDerWaalsContact C-N 3.26Å; L101-Y103 PolarHBondContact O-N 3.09Å; L101-F104 PolarHBondContact O-N 3.17Å; L101-F104 VanDerWaalsContact O-N 3.13Å; L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 2.87Å; L101-I125 HydrophobicContact CD1-CD1 3.83Å; L101-I125 HydrophobicContact CD2-CD1 3.51Å; L101-I125 HydrophobicContact CG-CD1 3.67Å; L101-L144 HydrophobicContact CD1-CD2 3.38Å; L101-L147 HydrophobicContact CB-CD1 4.09Å; L101-L147 HydrophobicContact CD1-CD1 3.84Å; L101-I173 HydrophobicContact CD2-CD1 4.28Å |
| 102 | R | 87 | Confident | 80.4 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -38.8 | 174.2 | -77.3 | -172.3 | -179.8 | 98.6 | 0.9 | 112.4 | C98 Q99 W100 F104 I105 N106 L147 E150 | C98-R102 WeakPolarHBondContact O-CG 3.36Å; C98-R102 PolarHBondContact O-N 3.35Å; C98-R102 VanDerWaalsContact O-N 3.11Å; Q99-R102 PolarHBondContact O-N 2.99Å; W100-R102 PolarHBondContact O-N 2.71Å; R102-F104 VanDerWaalsContact C-N 3.34Å; R102-F104 PolarHBondContact O-N 2.87Å; R102-I105 PolarHBondContact O-N 3.4Å; R102-N106 PolarHBondContact O-N 3.13Å; R102-L147 HydrophobicContact CG-CD2 3.51Å; R102-E150 IonicContact CZ-OE2 3.75Å; R102-E150 IonicContact NE-OE1 3.5Å; R102-E150 IonicContact NE-OE2 3.8Å; R102-E150 PolarHBondContact NE-OE2 3.42Å; R102-E150 IonicContact NH2-OE2 2.9Å; R102-E150 PolarHBondContact NH2-OE2 3.17Å |
| 103 | Y | 83.3 | Confident | 79.7 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 12% | 0.122 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -36.5 | 176.6 | 177.4 | -98.9 | 0 | 0 | 0 | 112.4 | Q99 W100 L101 N106 P107 V108 K113 | Q99-Y103 PolarHBondContact O-N 2.78Å; W100-Y103 WeakPolarHBondContact O-CB 3.39Å; W100-Y103 PolarHBondContact O-N 2.97Å; W100-Y103 VanDerWaalsContact O-N 3.14Å; L101-Y103 VanDerWaalsContact C-N 3.26Å; L101-Y103 PolarHBondContact O-N 3.09Å; Y103-N106 CarbonylContact O-C 3.55Å; Y103-P107 VanDerWaalsContact O-CA 3.25Å; Y103-P107 WeakPolarHBondContact O-CA 3.26Å; Y103-V108 HydrophobicContact CD2-CG2 4.26Å; Y103-V108 HydrophobicContact CE2-CG2 4.47Å; Y103-K113 HydrophobicContact CE1-CG 4.31Å; Y103-K113 WeakPolarHBondContact OH-CE 3.37Å; Y103-K113 PolarHBondContact OH-NZ 3.49Å |
| 104 | F | 82.5 | Confident | 79 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.8 | -41.6 | 173.8 | -73.4 | -73.9 | 0 | 0 | 0 | 113.1 | W100 L101 R102 K113 F117 E118 A121 L169 | W100-F104 AromaticContact CD1-CE2 3.74Å; W100-F104 AromaticContact CD2-CE2 3.73Å; W100-F104 HydrophobicContact CD2-CE2 3.73Å; W100-F104 AromaticContact CE2-CE2 3.44Å; W100-F104 VanDerWaalsContact CE2-CE2 3.44Å; W100-F104 AromaticContact CE2-CZ 3.83Å; W100-F104 HydrophobicContact CE3-CE2 4.44Å; W100-F104 HydrophobicContact CG-CD2 4.42Å; W100-F104 AromaticContact CG-CE2 3.91Å; W100-F104 HydrophobicContact CG-CE2 3.91Å; W100-F104 AromaticContact CZ2-CE2 3.92Å; W100-F104 HydrophobicContact CZ2-CE2 3.92Å; W100-F104 AromaticContact CZ2-CZ 3.95Å; W100-F104 HydrophobicContact CZ2-CZ 3.95Å; W100-F104 AromaticContact NE1-CE2 3.44Å; W100-F104 AromaticContact NE1-CZ 3.78Å; W100-F104 WeakPolarHBondContact O-CD2 3.25Å; W100-F104 PolarHBondContact O-N 3.16Å; W100-F104 VanDerWaalsContact O-N 3.07Å; L101-F104 PolarHBondContact O-N 3.17Å; L101-F104 VanDerWaalsContact O-N 3.13Å; R102-F104 VanDerWaalsContact C-N 3.34Å; R102-F104 PolarHBondContact O-N 2.87Å; F104-K113 HydrophobicContact CD1-CB 4.4Å; F104-K113 HydrophobicContact CE1-CB 3.98Å; F104-K113 HydrophobicContact CE1-CG 4.14Å; F104-F117 AromaticContact CE1-CD1 3.5Å; F104-F117 HydrophobicContact CE1-CD1 3.5Å; F104-F117 VanDerWaalsContact CE1-CD1 3.5Å; F104-F117 HydrophobicContact CE1-CE1 4.13Å; F104-F117 HydrophobicContact CE1-CG 4.38Å; F104-F117 AromaticContact CZ-CD1 3.38Å; F104-F117 HydrophobicContact CZ-CD1 3.38Å; F104-F117 AromaticContact CZ-CE1 3.68Å; F104-F117 HydrophobicContact CZ-CE1 3.68Å; F104-F117 HydrophobicContact CZ-CG 4.24Å; F104-E118 HydrophobicContact CD1-CG 3.63Å; F104-E118 HydrophobicContact CE1-CG 3.78Å; F104-E118 HydrophobicContact CG-CG 4.46Å; F104-A121 HydrophobicContact CD2-CB 4.34Å; F104-A121 HydrophobicContact CE2-CB 3.52Å; F104-A121 HydrophobicContact CZ-CB 3.92Å; F104-L169 HydrophobicContact CB-CD1 3.62Å; F104-L169 HydrophobicContact CG-CD1 4.39Å |
| 105 | I | 81.3 | Confident | 78.6 | Confident | 15 Ų | 15 | 61 Ų | 61 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -45 | 179.8 | -65.2 | 167.8 | 0 | 0 | 0 | 110.5 | L101 R102 A151 A166 L169 | L101-I105 VanDerWaalsContact O-CG1 3.28Å; L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 2.87Å; R102-I105 PolarHBondContact O-N 3.4Å; I105-A151 HydrophobicContact CG2-CB 3.83Å; I105-A166 HydrophobicContact CD1-CB 3.75Å; I105-A166 HydrophobicContact CG1-CB 3.8Å; I105-A166 HydrophobicContact CG2-CB 4.03Å; I105-L169 HydrophobicContact CG1-CD1 4.41Å |
| 106 | N | 79.3 | Confident | 78.3 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -125.7 | 80.6 | -177.7 | -68.6 | -40.9 | 0 | 0 | 0 | 110 | R102 Y103 V108 | R102-N106 PolarHBondContact O-N 3.13Å; Y103-N106 CarbonylContact O-C 3.55Å; N106-V108 PolarHBondContact O-N 3.14Å |
| 107 | P | 71.6 | Confident | 77.9 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | trans | -65.1 | 120.6 | 179.9 | 25.6 | -33 | 0 | 0 | 0 | 110.4 | Y103 D109 G110 | Y103-P107 VanDerWaalsContact O-CA 3.25Å; Y103-P107 WeakPolarHBondContact O-CA 3.26Å; P107-D109 PolarHBondContact O-N 3.32Å; P107-G110 PolarHBondContact O-N 2.83Å; P107-G110 VanDerWaalsContact O-N 3.09Å | ||
| 108 | V | 64.1 | Low | 77.6 | Confident | 124 Ų | 124 | 64.3 Ų | 64.3 | 75% | 0.752 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.1 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | Y103 N106 | Y103-V108 HydrophobicContact CD2-CG2 4.26Å; Y103-V108 HydrophobicContact CE2-CG2 4.47Å; N106-V108 PolarHBondContact O-N 3.14Å |
| 109 | D | 62 | Low | 77.4 | Confident | 100 Ų | 100 | 65.8 Ų | 65.8 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -0.9 | -177.4 | -53.2 | -42.1 | 0 | 0 | 0 | 113.6 | P107 I111 | P107-D109 PolarHBondContact O-N 3.32Å; D109-I111 PolarHBondContact O-N 3.28Å |
| 110 | G | 62.4 | Low | 77.5 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 66% | 0.66 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 68.3 | -6.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P107 | P107-G110 PolarHBondContact O-N 2.83Å; P107-G110 VanDerWaalsContact O-N 3.09Å |
| 111 | I | 63.7 | Low | 77.4 | Confident | 123 Ų | 123 | 62.8 Ų | 62.8 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | trans | -90.6 | 114.6 | 178.5 | -57.7 | 170.4 | 0 | 0 | 0 | 109.1 | D109 | D109-I111 PolarHBondContact O-N 3.28Š| ||
| 112 | R | 66.8 | Low | 77.5 | Confident | 124 Ų | 124 | 62.4 Ų | 62.4 | 47% | 0.468 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 138.9 | 171 | -80.9 | -167.7 | -175.5 | -178.1 | 2.2 | 110.9 | K161 | R112-K161 PolarHBondContact NH2-O 3.49Š|
| 113 | K | 72.3 | Confident | 77.6 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 157.2 | 170.8 | -63.1 | -63.8 | -176.6 | -170 | 0 | 110 | Y103 F104 F117 | Y103-K113 HydrophobicContact CE1-CG 4.31Å; Y103-K113 WeakPolarHBondContact OH-CE 3.37Å; Y103-K113 PolarHBondContact OH-NZ 3.49Å; F104-K113 HydrophobicContact CD1-CB 4.4Å; F104-K113 HydrophobicContact CE1-CB 3.98Å; F104-K113 HydrophobicContact CE1-CG 4.14Å; K113-F117 HydrophobicContact CB-CB 4.33Å; K113-F117 HydrophobicContact CB-CD1 3.96Å; K113-F117 HydrophobicContact CD-CD1 4.41Å; K113-F117 HydrophobicContact CG-CD1 3.96Å; K113-F117 HydrophobicContact CG-CE1 4.47Å |
| 114 | P | 75.9 | Confident | 77.9 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 148.2 | 173.8 | -24.5 | 36.2 | 0 | 0 | 0 | 112.2 | Y116 F117 E118 | P114-Y116 HydrophobicContact CB-CD1 3.45Å; P114-Y116 VanDerWaalsContact CB-CD1 3.45Å; P114-Y116 HydrophobicContact CB-CE1 3.15Å; P114-Y116 HydrophobicContact CB-CE2 4.41Å; P114-Y116 HydrophobicContact CB-CG 4.23Å; P114-Y116 HydrophobicContact CG-CD1 4.38Å; P114-Y116 HydrophobicContact CG-CE1 3.6Å; P114-Y116 PolarHBondContact O-N 2.95Å; P114-Y116 VanDerWaalsContact O-N 3.13Å; P114-F117 WeakPolarHBondContact O-CB 3.4Å; P114-F117 PolarHBondContact O-N 3.14Å; P114-E118 PolarHBondContact O-N 2.83Å |
| 115 | K | 78.9 | Confident | 78.3 | Confident | 166 Ų | 166 | 57.4 Ų | 57.4 | 72% | 0.722 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54.3 | -33.1 | 179.7 | -71.9 | -167.3 | 173.8 | -167.8 | 0 | 114.4 | F117 E118 A119 | K115-F117 PolarHBondContact O-N 3.33Å; K115-E118 WeakPolarHBondContact O-CB 3.28Å; K115-E118 PolarHBondContact O-N 2.6Å; K115-A119 WeakPolarHBondContact O-CB 3.16Å; K115-A119 PolarHBondContact O-N 3.34Å |
| 116 | Y | 82.6 | Confident | 78.8 | Confident | 110 Ų | 110 | 56.7 Ų | 56.7 | 43% | 0.431 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -27.4 | 177.3 | 67.7 | -107.1 | 0 | 0 | 0 | 112.3 | F69 P114 K120 | F69-Y116 AromaticContact CE2-CD2 3.92Å; F69-Y116 HydrophobicContact CE2-CD2 3.92Å; F69-Y116 AromaticContact CE2-CE2 3.59Å; F69-Y116 HydrophobicContact CE2-CE2 3.59Å; F69-Y116 AromaticContact CZ-CD2 3.61Å; F69-Y116 HydrophobicContact CZ-CD2 3.61Å; F69-Y116 AromaticContact CZ-CE2 3.82Å; F69-Y116 HydrophobicContact CZ-CE2 3.82Å; P114-Y116 HydrophobicContact CB-CD1 3.45Å; P114-Y116 VanDerWaalsContact CB-CD1 3.45Å; P114-Y116 HydrophobicContact CB-CE1 3.15Å; P114-Y116 HydrophobicContact CB-CE2 4.41Å; P114-Y116 HydrophobicContact CB-CG 4.23Å; P114-Y116 HydrophobicContact CG-CD1 4.38Å; P114-Y116 HydrophobicContact CG-CE1 3.6Å; P114-Y116 PolarHBondContact O-N 2.95Å; P114-Y116 VanDerWaalsContact O-N 3.13Å; Y116-K120 WeakPolarHBondContact O-CB 3.27Å; Y116-K120 PolarHBondContact O-N 3.25Å |
| 117 | F | 82.2 | Confident | 79.3 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 4% | 0.044 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.8 | -38.5 | -179.9 | -160.7 | -119.5 | 0 | 0 | 0 | 111.1 | L46 F68 W100 F104 K113 P114 K115 K120 A121 | L46-F117 HydrophobicContact CD2-CE2 4.21Å; L46-F117 HydrophobicContact CD2-CZ 3.77Å; F68-F117 HydrophobicContact CB-CE2 3.79Å; F68-F117 HydrophobicContact CB-CZ 4.18Å; F68-F117 HydrophobicContact CD2-CE1 4.38Å; F68-F117 AromaticContact CD2-CE2 3.98Å; F68-F117 HydrophobicContact CD2-CE2 3.98Å; F68-F117 AromaticContact CD2-CZ 3.7Å; F68-F117 HydrophobicContact CD2-CZ 3.7Å; F68-F117 HydrophobicContact CE2-CZ 4.29Å; F68-F117 HydrophobicContact CG-CE2 4.22Å; F68-F117 HydrophobicContact CG-CZ 4.13Å; W100-F117 AromaticContact CZ2-CE1 3.88Å; W100-F117 HydrophobicContact CZ2-CE1 3.88Å; W100-F117 HydrophobicContact CZ2-CE2 4.22Å; W100-F117 AromaticContact CZ2-CZ 3.69Å; W100-F117 HydrophobicContact CZ2-CZ 3.69Å; W100-F117 AromaticContact NE1-CE1 3.95Å; F104-F117 AromaticContact CE1-CD1 3.5Å; F104-F117 HydrophobicContact CE1-CD1 3.5Å; F104-F117 VanDerWaalsContact CE1-CD1 3.5Å; F104-F117 HydrophobicContact CE1-CE1 4.13Å; F104-F117 HydrophobicContact CE1-CG 4.38Å; F104-F117 AromaticContact CZ-CD1 3.38Å; F104-F117 HydrophobicContact CZ-CD1 3.38Å; F104-F117 AromaticContact CZ-CE1 3.68Å; F104-F117 HydrophobicContact CZ-CE1 3.68Å; F104-F117 HydrophobicContact CZ-CG 4.24Å; K113-F117 HydrophobicContact CB-CB 4.33Å; K113-F117 HydrophobicContact CB-CD1 3.96Å; K113-F117 HydrophobicContact CD-CD1 4.41Å; K113-F117 HydrophobicContact CG-CD1 3.96Å; K113-F117 HydrophobicContact CG-CE1 4.47Å; P114-F117 WeakPolarHBondContact O-CB 3.4Å; P114-F117 PolarHBondContact O-N 3.14Å; K115-F117 PolarHBondContact O-N 3.33Å; F117-K120 PolarHBondContact O-N 3.37Å; F117-A121 PolarHBondContact O-N 3.18Å |
| 118 | E | 83.7 | Confident | 80.2 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 168.7 | -71 | 172 | 176.8 | 0 | 0 | 110.8 | F104 P114 K115 K120 A121 G122 L169 | F104-E118 HydrophobicContact CD1-CG 3.63Å; F104-E118 HydrophobicContact CE1-CG 3.78Å; F104-E118 HydrophobicContact CG-CG 4.46Å; P114-E118 PolarHBondContact O-N 2.83Å; K115-E118 WeakPolarHBondContact O-CB 3.28Å; K115-E118 PolarHBondContact O-N 2.6Å; E118-K120 PolarHBondContact O-N 3.09Å; E118-A121 WeakPolarHBondContact O-CB 3.39Å; E118-A121 PolarHBondContact O-N 3Å; E118-A121 VanDerWaalsContact O-N 3.14Å; E118-G122 PolarHBondContact O-N 3.25Å; E118-L169 HydrophobicContact CB-CD2 3.71Å; E118-L169 HydrophobicContact CG-CD2 4.09Å |
| 119 | A | 85 | Confident | 81.4 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 39% | 0.388 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K115 A121 G122 Q123 | K115-A119 WeakPolarHBondContact O-CB 3.16Å; K115-A119 PolarHBondContact O-N 3.34Å; A119-A121 VanDerWaalsContact C-N 3.29Å; A119-A121 PolarHBondContact O-N 3.35Å; A119-G122 PolarHBondContact O-N 3.14Å; A119-Q123 PolarHBondContact O-N 2.92Å |
| 120 | K | 87.4 | Confident | 82.6 | Confident | 31 Ų | 31 | 42 Ų | 42 | 14% | 0.135 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -34.3 | 176.1 | -166.5 | 64.9 | -178.4 | 174.8 | 0 | 111.9 | C72 E76 Y116 F117 E118 Q123 L124 | C72-K120 HydrophobicContact CB-CD 4.42Å; C72-K120 HydrophobicContact CB-CG 3.77Å; E76-K120 IonicContact OE2-NZ 3.33Å; E76-K120 PolarHBondContact OE2-NZ 3.03Å; Y116-K120 WeakPolarHBondContact O-CB 3.27Å; Y116-K120 PolarHBondContact O-N 3.25Å; F117-K120 PolarHBondContact O-N 3.37Å; E118-K120 PolarHBondContact O-N 3.09Å; K120-Q123 VanDerWaalsContact CD-OE1 3.32Å; K120-L124 WeakPolarHBondContact O-CG 3.25Å; K120-L124 PolarHBondContact O-N 2.8Å; K120-L124 VanDerWaalsContact O-N 3.1Å |
| 121 | A | 87.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -45.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W100 F104 F117 E118 A119 Q123 L124 I125 | W100-A121 HydrophobicContact CD2-CB 4.31Å; W100-A121 HydrophobicContact CE3-CB 3.84Å; W100-A121 HydrophobicContact CH2-CB 3.5Å; W100-A121 HydrophobicContact CZ2-CB 4Å; W100-A121 VanDerWaalsContact CZ3-CA 3.44Å; W100-A121 HydrophobicContact CZ3-CB 3.42Å; W100-A121 VanDerWaalsContact CZ3-CB 3.42Å; F104-A121 HydrophobicContact CD2-CB 4.34Å; F104-A121 HydrophobicContact CE2-CB 3.52Å; F104-A121 HydrophobicContact CZ-CB 3.92Å; F117-A121 PolarHBondContact O-N 3.18Å; E118-A121 WeakPolarHBondContact O-CB 3.39Å; E118-A121 PolarHBondContact O-N 3Å; E118-A121 VanDerWaalsContact O-N 3.14Å; A119-A121 VanDerWaalsContact C-N 3.29Å; A119-A121 PolarHBondContact O-N 3.35Å; A121-Q123 PolarHBondContact O-N 3.41Å; A121-L124 PolarHBondContact O-N 2.82Å; A121-I125 WeakPolarHBondContact O-CD1 3.21Å; A121-I125 VanDerWaalsContact O-CG1 3.3Å; A121-I125 WeakPolarHBondContact O-CG1 3.37Å; A121-I125 PolarHBondContact O-N 3.34Å |
| 122 | G | 87.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.8 | -52 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E118 A119 L124 I125 T126 | E118-G122 PolarHBondContact O-N 3.25Å; A119-G122 PolarHBondContact O-N 3.14Å; G122-L124 PolarHBondContact O-N 3.03Å; G122-I125 PolarHBondContact O-N 3Å; G122-T126 PolarHBondContact O-N 3.26Å; G122-T126 PolarHBondContact O-OG1 3.5Å; G122-T126 VanDerWaalsContact O-OG1 3.06Å |
| 123 | Q | 88.6 | Confident | 86.2 | Confident | 36 Ų | 36 | 28.8 Ų | 28.8 | 17% | 0.168 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.7 | -44.7 | 177.6 | -170.4 | -172.7 | 17.3 | 0 | 0 | 113.2 | A119 K120 A121 T126 L127 Y180 | A119-Q123 PolarHBondContact O-N 2.92Å; K120-Q123 VanDerWaalsContact CD-OE1 3.32Å; A121-Q123 PolarHBondContact O-N 3.41Å; Q123-T126 WeakPolarHBondContact O-CB 3.36Å; Q123-T126 PolarHBondContact O-N 2.9Å; Q123-L127 WeakPolarHBondContact O-CG 3.36Å; Q123-L127 PolarHBondContact O-N 3.07Å; Q123-Y180 HydrophobicContact CG-CE2 4.31Å; Q123-Y180 WeakPolarHBondContact CG-OH 3.37Å; Q123-Y180 PolarHBondContact NE2-OH 3.04Å |
| 124 | L | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68 | -38.1 | 179.8 | -72.4 | 177.1 | 0 | 0 | 0 | 112.1 | C72 L75 E76 L79 W100 K120 A121 G122 T126 L127 A128 | C72-L124 HydrophobicContact CB-CD1 4.03Å; L75-L124 HydrophobicContact CB-CD1 4.27Å; L75-L124 HydrophobicContact CB-CD2 4.11Å; L75-L124 HydrophobicContact CD1-CD1 4.23Å; E76-L124 HydrophobicContact CB-CD2 3.92Å; L79-L124 HydrophobicContact CD1-CB 4.48Å; L79-L124 HydrophobicContact CD1-CD2 4.1Å; L79-L124 VanDerWaalsContact CD1-O 3.3Å; L79-L124 WeakPolarHBondContact CD1-O 3.48Å; W100-L124 HydrophobicContact CH2-CD1 4.01Å; W100-L124 HydrophobicContact CZ3-CD1 3.92Å; K120-L124 WeakPolarHBondContact O-CG 3.25Å; K120-L124 PolarHBondContact O-N 2.8Å; K120-L124 VanDerWaalsContact O-N 3.1Å; A121-L124 PolarHBondContact O-N 2.82Å; G122-L124 PolarHBondContact O-N 3.03Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-L127 PolarHBondContact O-N 3.08Å; L124-A128 WeakPolarHBondContact O-CB 3.45Å; L124-A128 PolarHBondContact O-N 3.38Å |
| 125 | I | 91.3 | Very high | 87.4 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 175.2 | -65.2 | 161 | 0 | 0 | 0 | 110 | A97 L101 A121 G122 L127 A128 I129 I173 | A97-I125 HydrophobicContact CB-CG1 4.46Å; L101-I125 HydrophobicContact CD1-CD1 3.83Å; L101-I125 HydrophobicContact CD2-CD1 3.51Å; L101-I125 HydrophobicContact CG-CD1 3.67Å; A121-I125 WeakPolarHBondContact O-CD1 3.21Å; A121-I125 VanDerWaalsContact O-CG1 3.3Å; A121-I125 WeakPolarHBondContact O-CG1 3.37Å; A121-I125 PolarHBondContact O-N 3.34Å; G122-I125 PolarHBondContact O-N 3Å; I125-L127 PolarHBondContact O-N 3.48Å; I125-A128 CarbonylContact O-C 3.56Å; I125-A128 WeakPolarHBondContact O-CA 3.28Å; I125-A128 WeakPolarHBondContact O-CB 3.5Å; I125-A128 PolarHBondContact O-N 3.14Å; I125-A128 VanDerWaalsContact O-N 3.09Å; I125-I129 HydrophobicContact CG2-CD1 4.41Å; I125-I129 WeakPolarHBondContact O-CG1 3.26Å; I125-I129 PolarHBondContact O-N 3.37Å; I125-I173 HydrophobicContact CB-CD1 4.28Å; I125-I173 HydrophobicContact CB-CG1 4.31Å; I125-I173 HydrophobicContact CD1-CD1 3.81Å; I125-I173 HydrophobicContact CD1-CG1 4.45Å; I125-I173 HydrophobicContact CG2-CD1 4Å; I125-I173 HydrophobicContact CG2-CG1 4.28Å; I125-I173 HydrophobicContact CG2-CG2 3.96Å |
| 126 | T | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.2 | -46.5 | 173.2 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | G122 Q123 L124 A128 I129 I130 I173 D176 L177 Y180 | G122-T126 PolarHBondContact O-N 3.26Å; G122-T126 PolarHBondContact O-OG1 3.5Å; G122-T126 VanDerWaalsContact O-OG1 3.06Å; Q123-T126 WeakPolarHBondContact O-CB 3.36Å; Q123-T126 PolarHBondContact O-N 2.9Å; L124-T126 VanDerWaalsContact C-N 3.34Å; T126-A128 VanDerWaalsContact C-N 3.29Å; T126-A128 PolarHBondContact O-N 3.31Å; T126-I129 WeakPolarHBondContact O-CB 3.41Å; T126-I129 PolarHBondContact O-N 2.96Å; T126-I130 HydrophobicContact CG2-CD1 4.29Å; T126-I130 VanDerWaalsContact O-CG1 3.27Å; T126-I130 WeakPolarHBondContact O-CG1 3.29Å; T126-I130 PolarHBondContact O-N 3.34Å; T126-I130 VanDerWaalsContact O-N 3.11Å; T126-I173 PolarHBondContact OG1-O 3.41Å; T126-D176 HydrophobicContact CG2-CB 4.3Å; T126-L177 HydrophobicContact CG2-CB 4.1Å; T126-L177 HydrophobicContact CG2-CD1 3.89Å; T126-Y180 HydrophobicContact CG2-CD2 3.7Å; T126-Y180 HydrophobicContact CG2-CE2 4.37Å; T126-Y180 HydrophobicContact CG2-CG 4.32Å |
| 127 | L | 89.6 | Confident | 88 | Confident | 11 Ų | 11 | 22.8 Ų | 22.8 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.7 | -34.2 | 174.5 | -69 | 172.3 | 0 | 0 | 0 | 112.6 | E76 L79 K80 Q123 L124 I125 I130 R131 Y180 | E76-L127 HydrophobicContact CB-CD1 4.44Å; E76-L127 HydrophobicContact CG-CD1 3.53Å; L79-L127 HydrophobicContact CB-CB 3.95Å; L79-L127 HydrophobicContact CD1-CB 3.78Å; L79-L127 HydrophobicContact CG-CB 4.48Å; K80-L127 HydrophobicContact CG-CD1 4.45Å; K80-L127 HydrophobicContact CG-CD2 4.22Å; Q123-L127 WeakPolarHBondContact O-CG 3.36Å; Q123-L127 PolarHBondContact O-N 3.07Å; L124-L127 PolarHBondContact O-N 3.08Å; I125-L127 PolarHBondContact O-N 3.48Å; L127-I130 HydrophobicContact CD2-CD1 4.35Å; L127-I130 PolarHBondContact O-N 3.5Å; L127-R131 PolarHBondContact O-N 2.84Å; L127-Y180 HydrophobicContact CD2-CE1 4.5Å |
| 128 | A | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.6 | -36.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L79 F93 L124 I125 T126 I130 R131 Y132 | L79-A128 HydrophobicContact CD1-CB 4.41Å; L79-A128 HydrophobicContact CD2-CB 4.11Å; F93-A128 HydrophobicContact CD1-CB 3.77Å; F93-A128 HydrophobicContact CE1-CB 3.33Å; F93-A128 HydrophobicContact CZ-CB 4.02Å; L124-A128 WeakPolarHBondContact O-CB 3.45Å; L124-A128 PolarHBondContact O-N 3.38Å; I125-A128 CarbonylContact O-C 3.56Å; I125-A128 WeakPolarHBondContact O-CA 3.28Å; I125-A128 WeakPolarHBondContact O-CB 3.5Å; I125-A128 PolarHBondContact O-N 3.14Å; I125-A128 VanDerWaalsContact O-N 3.09Å; T126-A128 VanDerWaalsContact C-N 3.29Å; T126-A128 PolarHBondContact O-N 3.31Å; A128-I130 VanDerWaalsContact C-N 3.31Å; A128-I130 PolarHBondContact O-N 3.39Å; A128-R131 PolarHBondContact O-N 3.48Å; A128-Y132 HydrophobicContact CB-CD2 3.94Å; A128-Y132 HydrophobicContact CB-CE2 4.08Å; A128-Y132 WeakPolarHBondContact O-CB 3.11Å; A128-Y132 VanDerWaalsContact O-CD2 3.31Å; A128-Y132 WeakPolarHBondContact O-CD2 3.37Å; A128-Y132 PolarHBondContact O-N 2.96Å |
| 129 | I | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 171 | -67.7 | 167 | 0 | 0 | 0 | 109.6 | I125 T126 R131 Y133 L140 F141 I173 L177 L199 | I125-I129 HydrophobicContact CG2-CD1 4.41Å; I125-I129 WeakPolarHBondContact O-CG1 3.26Å; I125-I129 PolarHBondContact O-N 3.37Å; T126-I129 WeakPolarHBondContact O-CB 3.41Å; T126-I129 PolarHBondContact O-N 2.96Å; I129-R131 PolarHBondContact O-N 3.02Å; I129-Y133 WeakPolarHBondContact O-CB 3.48Å; I129-Y133 PolarHBondContact O-N 2.98Å; I129-Y133 VanDerWaalsContact O-N 3.14Å; I129-L140 HydrophobicContact CB-CD1 4.3Å; I129-L140 HydrophobicContact CD1-CD2 4.08Å; I129-L140 HydrophobicContact CG1-CD1 3.65Å; I129-L140 HydrophobicContact CG1-CD2 3.58Å; I129-L140 HydrophobicContact CG1-CG 4.31Å; I129-F141 HydrophobicContact CD1-CE1 4.37Å; I129-F141 HydrophobicContact CD1-CZ 4.32Å; I129-F141 HydrophobicContact CG2-CE2 4.48Å; I129-F141 HydrophobicContact CG2-CZ 4.09Å; I129-I173 HydrophobicContact CD1-CG2 3.75Å; I129-L177 HydrophobicContact CB-CD1 4.25Å; I129-L177 HydrophobicContact CD1-CD2 4.39Å; I129-L177 HydrophobicContact CG2-CD1 3.83Å; I129-L177 HydrophobicContact CG2-CD2 4.12Å; I129-L199 HydrophobicContact CG2-CD1 3.97Å; I129-L199 HydrophobicContact CG2-CD2 4.44Å |
| 130 | I | 87.8 | Confident | 88.7 | Confident | 33 Ų | 33 | 25.4 Ų | 25.4 | 17% | 0.169 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | -178.6 | -63.1 | 170 | 0 | 0 | 0 | 111.9 | T126 L127 A128 L177 Y180 I181 R195 | T126-I130 HydrophobicContact CG2-CD1 4.29Å; T126-I130 VanDerWaalsContact O-CG1 3.27Å; T126-I130 WeakPolarHBondContact O-CG1 3.29Å; T126-I130 PolarHBondContact O-N 3.34Å; T126-I130 VanDerWaalsContact O-N 3.11Å; L127-I130 HydrophobicContact CD2-CD1 4.35Å; L127-I130 PolarHBondContact O-N 3.5Å; A128-I130 VanDerWaalsContact C-N 3.31Å; A128-I130 PolarHBondContact O-N 3.39Å; I130-L177 HydrophobicContact CG1-CD1 4.24Å; I130-Y180 HydrophobicContact CD1-CG 4.38Å; I130-I181 HydrophobicContact CB-CD1 3.99Å; I130-I181 HydrophobicContact CD1-CD1 3.55Å; I130-I181 HydrophobicContact CD1-CG1 3.62Å; I130-I181 HydrophobicContact CG1-CD1 3.41Å; I130-I181 VanDerWaalsContact CG1-CD1 3.41Å; I130-I181 HydrophobicContact CG1-CG1 3.95Å; I130-I181 HydrophobicContact CG2-CD1 3.45Å; I130-I181 VanDerWaalsContact CG2-CD1 3.45Å; I130-R195 PolarHBondContact O-NE 2.88Å; I130-R195 VanDerWaalsContact O-NE 3.13Å; I130-R195 PolarHBondContact O-NH2 2.86Å |
| 131 | R | 88.7 | Confident | 88.8 | Confident | 29 Ų | 29 | 24 Ų | 24 | 11% | 0.109 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -77.9 | -47.5 | -178.1 | -174.5 | -179.7 | -176.3 | 74.7 | 8.3 | 113.1 | N78 L79 S81 L83 V85 E89 L127 A128 I129 | N78-R131 PolarHBondContact O-NH1 3.2Å; L79-R131 WeakPolarHBondContact O-CD 3.46Å; L79-R131 PolarHBondContact O-NH1 2.99Å; L79-R131 VanDerWaalsContact O-NH1 3.13Å; S81-R131 PolarHBondContact O-NH1 2.94Å; L83-R131 PolarHBondContact O-NH2 3.48Å; V85-R131 HydrophobicContact CG2-CG 4.27Å; E89-R131 IonicContact OE1-CZ 3.47Å; E89-R131 IonicContact OE1-NE 2.93Å; E89-R131 PolarHBondContact OE1-NE 3.39Å; E89-R131 IonicContact OE1-NH2 3.18Å; E89-R131 PolarHBondContact OE1-NH2 3.38Å; L127-R131 PolarHBondContact O-N 2.84Å; A128-R131 PolarHBondContact O-N 3.48Å; I129-R131 PolarHBondContact O-N 3.02Å |
| 132 | Y | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -101.8 | -34.7 | -165.3 | -56.7 | -55.3 | 0 | 0 | 0 | 114.7 | L79 V85 E89 A90 F93 A128 N135 H136 W137 | L79-Y132 HydrophobicContact CD2-CE2 3.61Å; V85-Y132 HydrophobicContact CG1-CD1 3.97Å; V85-Y132 HydrophobicContact CG1-CE1 3.86Å; V85-Y132 HydrophobicContact CG2-CD1 4.24Å; V85-Y132 HydrophobicContact CG2-CE1 4.24Å; E89-Y132 HydrophobicContact CG-CE1 4.11Å; E89-Y132 PolarHBondContact OE1-OH 3.46Å; A90-Y132 HydrophobicContact CB-CD1 3.77Å; A90-Y132 HydrophobicContact CB-CE1 4.23Å; A90-Y132 HydrophobicContact CB-CG 4.02Å; F93-Y132 HydrophobicContact CB-CE2 3.93Å; F93-Y132 HydrophobicContact CD1-CE2 4.07Å; F93-Y132 HydrophobicContact CD2-CE2 4.41Å; F93-Y132 AromaticContact CG-CE2 3.87Å; F93-Y132 HydrophobicContact CG-CE2 3.87Å; A128-Y132 HydrophobicContact CB-CD2 3.94Å; A128-Y132 HydrophobicContact CB-CE2 4.08Å; A128-Y132 WeakPolarHBondContact O-CB 3.11Å; A128-Y132 VanDerWaalsContact O-CD2 3.31Å; A128-Y132 WeakPolarHBondContact O-CD2 3.37Å; A128-Y132 PolarHBondContact O-N 2.96Å; Y132-N135 PolarHBondContact O-N 3.38Å; Y132-H136 HydrophobicContact CD1-CB 4.43Å; Y132-H136 PolarHBondContact O-N 3.12Å; Y132-W137 HydrophobicContact CD2-CE3 4.39Å; Y132-W137 PolarHBondContact O-N 3.09Å |
| 133 | Y | 89.2 | Confident | 89.1 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 139.8 | -178.8 | 177.1 | -83.9 | 0 | 0 | 0 | 110.1 | I129 W137 L140 F141 R195 L199 A202 M203 S206 | I129-Y133 WeakPolarHBondContact O-CB 3.48Å; I129-Y133 PolarHBondContact O-N 2.98Å; I129-Y133 VanDerWaalsContact O-N 3.14Å; Y133-W137 WeakPolarHBondContact CD2-O 3.3Å; Y133-L140 HydrophobicContact CD2-CB 4.2Å; Y133-F141 HydrophobicContact CD1-CE2 4Å; Y133-F141 HydrophobicContact CD2-CD2 4.08Å; Y133-F141 HydrophobicContact CD2-CE2 4.16Å; Y133-F141 HydrophobicContact CE1-CD2 4.34Å; Y133-F141 AromaticContact CE1-CE2 3.83Å; Y133-F141 HydrophobicContact CE1-CE2 3.83Å; Y133-F141 AromaticContact CE2-CD2 3.74Å; Y133-F141 HydrophobicContact CE2-CD2 3.74Å; Y133-F141 HydrophobicContact CE2-CE2 4.02Å; Y133-F141 HydrophobicContact CG-CE2 4.15Å; Y133-F141 AromaticContact CZ-CD2 3.87Å; Y133-F141 AromaticContact CZ-CE2 3.83Å; Y133-R195 PolarHBondContact O-NH2 3.42Å; Y133-L199 HydrophobicContact CD1-CD1 3.39Å; Y133-L199 HydrophobicContact CE1-CD1 3.83Å; Y133-A202 HydrophobicContact CE1-CB 3.73Å; Y133-A202 PolarHBondContact OH-O 2.93Å; Y133-A202 VanDerWaalsContact OH-O 3.07Å; Y133-M203 HydrophobicContact CE1-CG 3.81Å; Y133-M203 WeakPolarHBondContact OH-CA 3.44Å; Y133-M203 PolarHBondContact OH-N 3.37Å; Y133-S206 PolarHBondContact OH-OG 2.87Å |
| 134 | P | 87.1 | Confident | 89.2 | Confident | 32 Ų | 32 | 29.9 Ų | 29.9 | 21% | 0.208 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.2 | -14.2 | 2.4 | 34.9 | -37.1 | 0 | 0 | 0 | 115.3 | A202 | P134-A202 HydrophobicContact CB-CB 3.67Å; P134-A202 HydrophobicContact CG-CB 3.66Å |
| 135 | N | 86.1 | Confident | 89.1 | Confident | 118 Ų | 118 | 30.5 Ų | 30.5 | 63% | 0.631 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -35.6 | -162.7 | -64.1 | -24.9 | 0 | 0 | 0 | 115.2 | Y132 | Y132-N135 PolarHBondContact O-N 3.38Š|
| 136 | H | 87 | Confident | 89 | Confident | 100 Ų | 100 | 32.1 Ų | 32.1 | 46% | 0.463 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -22.9 | -171.8 | -54.4 | 102.1 | 0 | 0 | 0 | 113.4 | V85 A90 Y132 | V85-H136 HydrophobicContact CG1-CB 4.44Å; A90-H136 HydrophobicContact CB-CB 3.75Å; Y132-H136 HydrophobicContact CD1-CB 4.43Å; Y132-H136 PolarHBondContact O-N 3.12Å |
| 137 | W | 87.3 | Confident | 88.8 | Confident | 8 Ų | 8 | 32.6 Ų | 32.6 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | trans | -137.7 | 71 | 177.9 | -171.4 | 6.5 | 0 | 0 | 0 | 109.9 | F93 A94 A97 Y132 Y133 S139 L140 D143 | F93-W137 HydrophobicContact CD1-CZ3 4.3Å; A94-W137 VanDerWaalsContact CA-CH2 3.48Å; A94-W137 HydrophobicContact CB-CD2 3.69Å; A94-W137 HydrophobicContact CB-CE3 4.03Å; A94-W137 HydrophobicContact CB-CG 4.37Å; A94-W137 HydrophobicContact CB-CH2 3.82Å; A94-W137 HydrophobicContact CB-CZ2 3.4Å; A94-W137 HydrophobicContact CB-CZ3 4.1Å; A97-W137 HydrophobicContact CB-CH2 3.95Å; Y132-W137 HydrophobicContact CD2-CE3 4.39Å; Y132-W137 PolarHBondContact O-N 3.09Å; Y133-W137 WeakPolarHBondContact CD2-O 3.3Å; W137-S139 VanDerWaalsContact C-N 3.32Å; W137-S139 PolarHBondContact O-N 2.74Å; W137-L140 HydrophobicContact CB-CB 4.46Å; W137-L140 HydrophobicContact CD2-CB 3.75Å; W137-L140 HydrophobicContact CD2-CD1 3.77Å; W137-L140 HydrophobicContact CD2-CG 3.77Å; W137-L140 HydrophobicContact CE3-CB 4.32Å; W137-L140 HydrophobicContact CE3-CD1 3.45Å; W137-L140 VanDerWaalsContact CE3-CD1 3.45Å; W137-L140 HydrophobicContact CE3-CG 3.85Å; W137-L140 HydrophobicContact CG-CB 3.81Å; W137-L140 HydrophobicContact CG-CD1 4.32Å; W137-L140 HydrophobicContact CG-CG 4.34Å; W137-L140 HydrophobicContact CH2-CD1 4.31Å; W137-L140 HydrophobicContact CH2-CG 4.02Å; W137-L140 HydrophobicContact CZ2-CB 4.37Å; W137-L140 HydrophobicContact CZ2-CG 3.99Å; W137-L140 HydrophobicContact CZ3-CD1 3.75Å; W137-L140 HydrophobicContact CZ3-CG 3.98Å; W137-L140 VanDerWaalsContact O-CB 3.31Å; W137-L140 WeakPolarHBondContact O-CB 3.35Å; W137-L140 PolarHBondContact O-N 2.84Å; W137-D143 PolarHBondContact NE1-OD2 3.21Å | ||
| 138 | S | 86.8 | Confident | 88.8 | Confident | 86 Ų | 86 | 32.2 Ų | 32.2 | 60% | 0.601 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.6 | -175.1 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | L140 | S138-L140 VanDerWaalsContact C-N 3.25Å; S138-L140 PolarHBondContact O-N 3.49Å |
| 139 | S | 88.3 | Confident | 88.5 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 3.9 | 177.7 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | W137 F141 D142 D143 | W137-S139 VanDerWaalsContact C-N 3.32Å; W137-S139 PolarHBondContact O-N 2.74Å; S139-F141 VanDerWaalsContact C-N 3.33Å; S139-F141 PolarHBondContact O-N 2.83Å; S139-D142 CarbonylContact O-C 3.59Å; S139-D142 WeakPolarHBondContact O-CA 3.44Å; S139-D142 WeakPolarHBondContact O-CB 3.3Å; S139-D142 PolarHBondContact O-N 2.74Å; S139-D143 VanDerWaalsContact O-CG 3.3Å; S139-D143 PolarHBondContact O-N 3.32Å; S139-D143 PolarHBondContact OG-OD2 2.78Å |
| 140 | L | 90.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -50.7 | -49.8 | -170.6 | -172.9 | 162.1 | 0 | 0 | 0 | 112.9 | I129 Y133 W137 S138 D143 L144 | I129-L140 HydrophobicContact CB-CD1 4.3Å; I129-L140 HydrophobicContact CD1-CD2 4.08Å; I129-L140 HydrophobicContact CG1-CD1 3.65Å; I129-L140 HydrophobicContact CG1-CD2 3.58Å; I129-L140 HydrophobicContact CG1-CG 4.31Å; Y133-L140 HydrophobicContact CD2-CB 4.2Å; W137-L140 HydrophobicContact CB-CB 4.46Å; W137-L140 HydrophobicContact CD2-CB 3.75Å; W137-L140 HydrophobicContact CD2-CD1 3.77Å; W137-L140 HydrophobicContact CD2-CG 3.77Å; W137-L140 HydrophobicContact CE3-CB 4.32Å; W137-L140 HydrophobicContact CE3-CD1 3.45Å; W137-L140 VanDerWaalsContact CE3-CD1 3.45Å; W137-L140 HydrophobicContact CE3-CG 3.85Å; W137-L140 HydrophobicContact CG-CB 3.81Å; W137-L140 HydrophobicContact CG-CD1 4.32Å; W137-L140 HydrophobicContact CG-CG 4.34Å; W137-L140 HydrophobicContact CH2-CD1 4.31Å; W137-L140 HydrophobicContact CH2-CG 4.02Å; W137-L140 HydrophobicContact CZ2-CB 4.37Å; W137-L140 HydrophobicContact CZ2-CG 3.99Å; W137-L140 HydrophobicContact CZ3-CD1 3.75Å; W137-L140 HydrophobicContact CZ3-CG 3.98Å; W137-L140 VanDerWaalsContact O-CB 3.31Å; W137-L140 WeakPolarHBondContact O-CB 3.35Å; W137-L140 PolarHBondContact O-N 2.84Å; S138-L140 VanDerWaalsContact C-N 3.25Å; S138-L140 PolarHBondContact O-N 3.49Å; L140-D143 PolarHBondContact O-N 2.73Å; L140-L144 HydrophobicContact CD2-CD1 3.56Å; L140-L144 HydrophobicContact CD2-CG 4.1Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.23Å |
| 141 | F | 90.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.4 | -30.7 | -179.9 | -70.7 | -75.9 | 0 | 0 | 0 | 112.8 | I129 Y133 S139 D143 L144 L145 L174 L177 M203 C207 L211 | I129-F141 HydrophobicContact CD1-CE1 4.37Å; I129-F141 HydrophobicContact CD1-CZ 4.32Å; I129-F141 HydrophobicContact CG2-CE2 4.48Å; I129-F141 HydrophobicContact CG2-CZ 4.09Å; Y133-F141 HydrophobicContact CD1-CE2 4Å; Y133-F141 HydrophobicContact CD2-CD2 4.08Å; Y133-F141 HydrophobicContact CD2-CE2 4.16Å; Y133-F141 HydrophobicContact CE1-CD2 4.34Å; Y133-F141 AromaticContact CE1-CE2 3.83Å; Y133-F141 HydrophobicContact CE1-CE2 3.83Å; Y133-F141 AromaticContact CE2-CD2 3.74Å; Y133-F141 HydrophobicContact CE2-CD2 3.74Å; Y133-F141 HydrophobicContact CE2-CE2 4.02Å; Y133-F141 HydrophobicContact CG-CE2 4.15Å; Y133-F141 AromaticContact CZ-CD2 3.87Å; Y133-F141 AromaticContact CZ-CE2 3.83Å; S139-F141 VanDerWaalsContact C-N 3.33Å; S139-F141 PolarHBondContact O-N 2.83Å; F141-D143 VanDerWaalsContact C-N 3.35Å; F141-L144 PolarHBondContact O-N 3.23Å; F141-L145 VanDerWaalsContact O-CB 3.27Å; F141-L145 WeakPolarHBondContact O-CB 3.5Å; F141-L145 VanDerWaalsContact O-CG 3.25Å; F141-L145 WeakPolarHBondContact O-CG 3.42Å; F141-L145 PolarHBondContact O-N 3.33Å; F141-L174 HydrophobicContact CE1-CD2 4.24Å; F141-L177 HydrophobicContact CZ-CD2 4.32Å; F141-M203 HydrophobicContact CE1-CE 3.84Å; F141-M203 HydrophobicContact CE2-CE 4.09Å; F141-M203 HydrophobicContact CE2-CG 3.77Å; F141-M203 HydrophobicContact CE2-SD 4.12Å; F141-M203 HydrophobicContact CZ-CE 3.46Å; F141-M203 VanDerWaalsContact CZ-CE 3.46Å; F141-M203 HydrophobicContact CZ-CG 4.05Å; F141-M203 HydrophobicContact CZ-SD 3.78Å; F141-C207 HydrophobicContact CB-CB 3.55Å; F141-C207 HydrophobicContact CD2-CB 4.11Å; F141-C207 WeakPolarHBondContact CD2-SG 3.28Å; F141-C207 HydrophobicContact CG-CB 3.91Å; F141-C207 VanDerWaalsContact CG-SG 3.59Å; F141-L211 HydrophobicContact CD1-CD1 4.14Å; F141-L211 HydrophobicContact CD1-CD2 4.23Å; F141-L211 HydrophobicContact CE1-CD1 4.37Å |
| 142 | D | 89.9 | Confident | 87.4 | Confident | 93 Ų | 93 | 39.6 Ų | 39.6 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.4 | -38.6 | 173.6 | -60 | -41 | 0 | 0 | 0 | 110.8 | S139 G146 | S139-D142 CarbonylContact O-C 3.59Å; S139-D142 WeakPolarHBondContact O-CA 3.44Å; S139-D142 WeakPolarHBondContact O-CB 3.3Å; S139-D142 PolarHBondContact O-N 2.74Å; D142-G146 PolarHBondContact O-N 2.81Å |
| 143 | D | 90.4 | Very high | 86.4 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 175.9 | -64.4 | -38.2 | 0 | 0 | 0 | 111 | W137 S139 L140 F141 G146 L147 | W137-D143 PolarHBondContact NE1-OD2 3.21Å; S139-D143 VanDerWaalsContact O-CG 3.3Å; S139-D143 PolarHBondContact O-N 3.32Å; S139-D143 PolarHBondContact OG-OD2 2.78Å; L140-D143 PolarHBondContact O-N 2.73Å; F141-D143 VanDerWaalsContact C-N 3.35Å; D143-G146 PolarHBondContact O-N 2.83Å; D143-L147 WeakPolarHBondContact O-CG 3.39Å; D143-L147 PolarHBondContact O-N 2.92Å |
| 144 | L | 90.4 | Very high | 84.9 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.5 | -70.8 | -178.7 | 0 | 0 | 0 | 112.3 | L101 L140 F141 L147 L148 F170 | L101-L144 HydrophobicContact CD1-CD2 3.38Å; L140-L144 HydrophobicContact CD2-CD1 3.56Å; L140-L144 HydrophobicContact CD2-CG 4.1Å; L140-L144 WeakPolarHBondContact O-CG 3.27Å; L140-L144 PolarHBondContact O-N 3.23Å; F141-L144 PolarHBondContact O-N 3.23Å; L144-L147 PolarHBondContact O-N 3.37Å; L144-L148 PolarHBondContact O-N 2.82Å; L144-L148 VanDerWaalsContact O-N 3.12Å; L144-F170 HydrophobicContact CB-CD2 4.39Å; L144-F170 HydrophobicContact CB-CE2 4.19Å |
| 145 | L | 89.5 | Confident | 83.1 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 175.5 | -77.3 | 173.2 | 0 | 0 | 0 | 111.3 | F141 L147 L148 V149 F170 L211 T214 | F141-L145 VanDerWaalsContact O-CB 3.27Å; F141-L145 WeakPolarHBondContact O-CB 3.5Å; F141-L145 VanDerWaalsContact O-CG 3.25Å; F141-L145 WeakPolarHBondContact O-CG 3.42Å; F141-L145 PolarHBondContact O-N 3.33Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 2.68Å; L145-L148 HydrophobicContact CD2-CD2 4.46Å; L145-L148 WeakPolarHBondContact O-CB 3.28Å; L145-L148 PolarHBondContact O-N 3Å; L145-L148 VanDerWaalsContact O-N 3.17Å; L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.39Å; L145-F170 HydrophobicContact CD2-CE2 4.13Å; L145-F170 HydrophobicContact CD2-CZ 3.72Å; L145-F170 HydrophobicContact CG-CZ 4.46Å; L145-L211 HydrophobicContact CD1-CD2 4.11Å; L145-L211 HydrophobicContact CD2-CD2 4.06Å; L145-L211 HydrophobicContact CG-CD2 4.11Å; L145-T214 HydrophobicContact CD2-CG2 3.91Å |
| 146 | G | 88.3 | Confident | 81.2 | Confident | 36 Ų | 36 | 56.1 Ų | 56.1 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D142 D143 L148 V149 E150 | D142-G146 PolarHBondContact O-N 2.81Å; D143-G146 PolarHBondContact O-N 2.83Å; G146-L148 VanDerWaalsContact C-N 3.35Å; G146-V149 PolarHBondContact O-N 2.67Å; G146-E150 VanDerWaalsContact O-CB 3.28Å; G146-E150 WeakPolarHBondContact O-CB 3.43Å; G146-E150 PolarHBondContact O-N 2.91Å |
| 147 | L | 88 | Confident | 78.9 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.1 | -72.6 | 171.3 | 0 | 0 | 0 | 112.7 | C98 L101 R102 D143 L144 L145 A151 | C98-L147 HydrophobicContact CB-CD1 4.12Å; L101-L147 HydrophobicContact CB-CD1 4.09Å; L101-L147 HydrophobicContact CD1-CD1 3.84Å; R102-L147 HydrophobicContact CG-CD2 3.51Å; D143-L147 WeakPolarHBondContact O-CG 3.39Å; D143-L147 PolarHBondContact O-N 2.92Å; L144-L147 PolarHBondContact O-N 3.37Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 2.68Å; L147-A151 WeakPolarHBondContact O-CB 3.2Å; L147-A151 PolarHBondContact O-N 3.34Å |
| 148 | L | 87.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 178.6 | 179.5 | 69.1 | 0 | 0 | 0 | 111.5 | L144 L145 G146 A151 T152 A166 V167 F170 T214 L218 | L144-L148 PolarHBondContact O-N 2.82Å; L144-L148 VanDerWaalsContact O-N 3.12Å; L145-L148 HydrophobicContact CD2-CD2 4.46Å; L145-L148 WeakPolarHBondContact O-CB 3.28Å; L145-L148 PolarHBondContact O-N 3Å; L145-L148 VanDerWaalsContact O-N 3.17Å; G146-L148 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 3.31Å; L148-T152 HydrophobicContact CD1-CG2 4.48Å; L148-T152 WeakPolarHBondContact O-CB 3.43Å; L148-T152 VanDerWaalsContact O-CG2 3.28Å; L148-T152 WeakPolarHBondContact O-CG2 3.34Å; L148-T152 PolarHBondContact O-N 3.14Å; L148-T152 VanDerWaalsContact O-N 3.12Å; L148-T152 PolarHBondContact O-OG1 3.31Å; L148-A166 HydrophobicContact CD1-CB 4.14Å; L148-V167 HydrophobicContact CD1-CB 4.38Å; L148-V167 HydrophobicContact CD1-CG2 3.74Å; L148-F170 HydrophobicContact CD1-CB 4.33Å; L148-F170 HydrophobicContact CD2-CD1 3.79Å; L148-F170 HydrophobicContact CD2-CD2 4.32Å; L148-F170 HydrophobicContact CD2-CE1 3.93Å; L148-F170 HydrophobicContact CD2-CE2 4.45Å; L148-F170 HydrophobicContact CD2-CG 3.96Å; L148-F170 HydrophobicContact CD2-CZ 4.25Å; L148-T214 HydrophobicContact CD2-CG2 3.69Å; L148-L218 HydrophobicContact CD2-CD1 4.22Å |
| 149 | V | 85.4 | Confident | 75 | Confident | 66 Ų | 66 | 71.7 Ų | 71.7 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | L145 G146 A151 T152 D153 | L145-V149 WeakPolarHBondContact O-CG2 3.49Å; L145-V149 PolarHBondContact O-N 3.39Å; G146-V149 PolarHBondContact O-N 2.67Å; V149-A151 PolarHBondContact O-N 2.88Å; V149-T152 WeakPolarHBondContact CA-OG1 3.46Å; V149-T152 PolarHBondContact O-N 3.24Å; V149-T152 PolarHBondContact O-OG1 2.91Å; V149-D153 WeakPolarHBondContact O-CB 3.39Å; V149-D153 PolarHBondContact O-N 3.43Å |
| 150 | E | 84.1 | Confident | 73.5 | Confident | 117 Ų | 117 | 75.4 Ų | 75.4 | 55% | 0.547 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -55.2 | -40.4 | 175 | -173.7 | -175.4 | 169 | 0 | 0 | 111.5 | R102 G146 T152 | R102-E150 IonicContact CZ-OE2 3.75Å; R102-E150 IonicContact NE-OE1 3.5Å; R102-E150 IonicContact NE-OE2 3.8Å; R102-E150 PolarHBondContact NE-OE2 3.42Å; R102-E150 IonicContact NH2-OE2 2.9Å; R102-E150 PolarHBondContact NH2-OE2 3.17Å; G146-E150 VanDerWaalsContact O-CB 3.28Å; G146-E150 WeakPolarHBondContact O-CB 3.43Å; G146-E150 PolarHBondContact O-N 2.91Å; E150-T152 VanDerWaalsContact C-N 3.35Å |
| 151 | A | 81.2 | Confident | 72.3 | Confident | 11 Ų | 11 | 83.2 Ų | 83.2 | 9% | 0.091 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -74.2 | -21.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I105 L147 L148 V149 A166 | I105-A151 HydrophobicContact CG2-CB 3.83Å; L147-A151 WeakPolarHBondContact O-CB 3.2Å; L147-A151 PolarHBondContact O-N 3.34Å; L148-A151 PolarHBondContact O-N 3.31Å; V149-A151 PolarHBondContact O-N 2.88Å; A151-A166 HydrophobicContact CB-CB 3.48Å; A151-A166 VanDerWaalsContact CB-CB 3.48Å |
| 152 | T | 77.2 | Confident | 71.2 | Confident | 24 Ų | 24 | 84.1 Ų | 84.1 | 15% | 0.147 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -108.1 | -15.1 | -171.6 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | L148 V149 E150 G154 D163 V167 L218 R221 | L148-T152 HydrophobicContact CD1-CG2 4.48Å; L148-T152 WeakPolarHBondContact O-CB 3.43Å; L148-T152 VanDerWaalsContact O-CG2 3.28Å; L148-T152 WeakPolarHBondContact O-CG2 3.34Å; L148-T152 PolarHBondContact O-N 3.14Å; L148-T152 VanDerWaalsContact O-N 3.12Å; L148-T152 PolarHBondContact O-OG1 3.31Å; V149-T152 WeakPolarHBondContact CA-OG1 3.46Å; V149-T152 PolarHBondContact O-N 3.24Å; V149-T152 PolarHBondContact O-OG1 2.91Å; E150-T152 VanDerWaalsContact C-N 3.35Å; T152-G154 VanDerWaalsContact C-N 3.29Å; T152-G154 PolarHBondContact O-N 3.47Å; T152-D163 HydrophobicContact CG2-CB 4.37Å; T152-V167 HydrophobicContact CG2-CG2 4.42Å; T152-L218 HydrophobicContact CG2-CD2 4.33Å; T152-R221 PolarHBondContact O-NH1 3.37Å |
| 153 | D | 69.4 | Low | 70.6 | Confident | 141 Ų | 141 | 80.7 Ų | 80.7 | 75% | 0.754 | 42% | 0.424 | S | S | * | . | trans | -82.6 | 3.8 | -176.2 | -152.3 | 28.2 | 0 | 0 | 0 | 114.4 | V149 | V149-D153 WeakPolarHBondContact O-CB 3.39Å; V149-D153 PolarHBondContact O-N 3.43Å | ||
| 154 | G | 59.1 | Low | 70.1 | Confident | 49 Ų | 49 | 80 Ų | 80 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -71.6 | 136.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T152 V156 | T152-G154 VanDerWaalsContact C-N 3.29Å; T152-G154 PolarHBondContact O-N 3.47Å; G154-V156 PolarHBondContact O-N 2.9Å |
| 155 | Q | 48.7 | Very low | 69.8 | Low | 180 Ų | 180 | 79.9 Ų | 79.9 | 84% | 0.841 | 42% | 0.421 | S | S | * | . | trans | -56 | 137.7 | 173.9 | -74.5 | -168.8 | -16.7 | 0 | 0 | 112.3 | N157 | Q155-N157 PolarHBondContact O-N 3.45Š| ||
| 156 | V | 46.1 | Very low | 69.6 | Low | 129 Ų | 129 | 79.4 Ų | 79.4 | 78% | 0.782 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -53.7 | 6.6 | -164.9 | 178 | 0 | 0 | 0 | 0 | 117.6 | G154 | G154-V156 PolarHBondContact O-N 2.9Š|
| 157 | N | 38.9 | Very low | 69.5 | Low | 132 Ų | 132 | 77.7 Ų | 77.7 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -98.3 | 106.5 | -173.7 | -63.8 | -21.1 | 0 | 0 | 0 | 111.8 | Q155 R159 | Q155-N157 PolarHBondContact O-N 3.45Å; N157-R159 PolarHBondContact O-N 3.41Å |
| 158 | E | 44.4 | Very low | 69.5 | Low | 199 Ų | 199 | 79.4 Ų | 79.4 | 93% | 0.93 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 71.4 | 8.3 | 164.6 | -62.3 | -173.1 | 159.1 | 0 | 0 | 120 | ||
| 159 | R | 48.6 | Very low | 69.5 | Low | 191 Ų | 191 | 79.5 Ų | 79.5 | 72% | 0.721 | 41% | 0.412 | S | S | * | . | trans | -107 | 18.7 | -179 | -74.5 | -172.3 | 179.9 | 176.2 | 0.1 | 117.6 | N157 K161 S162 | N157-R159 PolarHBondContact O-N 3.41Å; R159-K161 PolarHBondContact O-N 2.92Å; R159-S162 PolarHBondContact O-N 3.03Å; R159-S162 PolarHBondContact O-OG 2.91Å; R159-S162 VanDerWaalsContact O-OG 3.06Å | ||
| 160 | N | 55.5 | Low | 69.7 | Low | 122 Ų | 122 | 76.8 Ų | 76.8 | 65% | 0.652 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -53.7 | -11.6 | -173.9 | -65.3 | -4.3 | 0 | 0 | 0 | 117 | V164 | N160-V164 VanDerWaalsContact O-CG2 3.29Å; N160-V164 WeakPolarHBondContact O-CG2 3.29Å |
| 161 | K | 64.8 | Low | 70.1 | Confident | 164 Ų | 164 | 71.2 Ų | 71.2 | 71% | 0.713 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -87.2 | -28.9 | -178.3 | -76.3 | -175.4 | -179 | 177.8 | 0 | 114.7 | R112 R159 V165 | R112-K161 PolarHBondContact NH2-O 3.49Å; R159-K161 PolarHBondContact O-N 2.92Å; K161-V165 WeakPolarHBondContact O-CG2 3.5Å |
| 162 | S | 68.3 | Low | 70.5 | Confident | 20 Ų | 20 | 72.6 Ų | 72.6 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.4 | -45.7 | -179.2 | 42.9 | 0 | 0 | 0 | 0 | 111.1 | R159 V164 V165 A166 | R159-S162 PolarHBondContact O-N 3.03Å; R159-S162 PolarHBondContact O-OG 2.91Å; R159-S162 VanDerWaalsContact O-OG 3.06Å; S162-V164 VanDerWaalsContact C-N 3.31Å; S162-V164 PolarHBondContact O-N 3.36Å; S162-V165 PolarHBondContact O-N 3.47Å; S162-A166 PolarHBondContact O-N 3.09Å |
| 163 | D | 76.3 | Confident | 71.1 | Confident | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | -177.9 | -62.9 | 38.3 | 0 | 0 | 0 | 111.7 | T152 V165 A166 V167 R221 | T152-D163 HydrophobicContact CG2-CB 4.37Å; D163-V165 VanDerWaalsContact C-N 3.32Å; D163-V165 PolarHBondContact O-N 2.97Å; D163-A166 PolarHBondContact O-N 2.93Å; D163-V167 VanDerWaalsContact O-CG2 3.27Å; D163-V167 WeakPolarHBondContact O-CG2 3.42Å; D163-V167 PolarHBondContact O-N 3.02Å; D163-R221 IonicContact OD2-CZ 3.94Å; D163-R221 VanDerWaalsContact OD2-CZ 3.26Å; D163-R221 IonicContact OD2-NH1 3.88Å; D163-R221 PolarHBondContact OD2-NH1 3Å; D163-R221 IonicContact OD2-NH2 2.92Å; D163-R221 PolarHBondContact OD2-NH2 3.5Å |
| 164 | V | 80.8 | Confident | 72.2 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 26% | 0.261 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -42.3 | 179.5 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | N160 S162 D168 L232 | N160-V164 VanDerWaalsContact O-CG2 3.29Å; N160-V164 WeakPolarHBondContact O-CG2 3.29Å; S162-V164 VanDerWaalsContact C-N 3.31Å; S162-V164 PolarHBondContact O-N 3.36Å; V164-D168 VanDerWaalsContact O-CB 3.27Å; V164-D168 WeakPolarHBondContact O-CB 3.27Å; V164-D168 PolarHBondContact O-N 3.14Å; V164-L232 HydrophobicContact CB-CD1 4.15Å; V164-L232 HydrophobicContact CG1-CD1 3.91Å; V164-L232 HydrophobicContact CG1-CG 4.46Å; V164-L232 HydrophobicContact CG2-CD1 3.99Å |
| 165 | V | 82.8 | Confident | 73.6 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.4 | -42.7 | 179.8 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | K161 S162 D163 V167 D168 L169 | K161-V165 WeakPolarHBondContact O-CG2 3.5Å; S162-V165 PolarHBondContact O-N 3.47Å; D163-V165 VanDerWaalsContact C-N 3.32Å; D163-V165 PolarHBondContact O-N 2.97Å; V165-V167 VanDerWaalsContact C-N 3.31Å; V165-V167 PolarHBondContact O-N 3.38Å; V165-D168 PolarHBondContact O-N 3.02Å; V165-L169 HydrophobicContact CG1-CD1 3.74Å; V165-L169 HydrophobicContact CG1-CG 4.23Å; V165-L169 WeakPolarHBondContact O-CB 3.01Å; V165-L169 WeakPolarHBondContact O-CG 3.32Å; V165-L169 PolarHBondContact O-N 3.45Å |
| 166 | A | 85.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I105 L148 A151 S162 D163 F170 | I105-A166 HydrophobicContact CD1-CB 3.75Å; I105-A166 HydrophobicContact CG1-CB 3.8Å; I105-A166 HydrophobicContact CG2-CB 4.03Å; L148-A166 HydrophobicContact CD1-CB 4.14Å; A151-A166 HydrophobicContact CB-CB 3.48Å; A151-A166 VanDerWaalsContact CB-CB 3.48Å; S162-A166 PolarHBondContact O-N 3.09Å; D163-A166 PolarHBondContact O-N 2.93Å; A166-F170 VanDerWaalsContact O-CB 3.26Å; A166-F170 WeakPolarHBondContact O-CB 3.29Å; A166-F170 PolarHBondContact O-N 3.25Å; A166-F170 VanDerWaalsContact O-N 3.1Å |
| 167 | V | 87 | Confident | 77.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176 | 176 | 0 | 0 | 0 | 0 | 111.1 | L148 T152 D163 V165 F170 L171 L218 F222 L232 I236 | L148-V167 HydrophobicContact CD1-CB 4.38Å; L148-V167 HydrophobicContact CD1-CG2 3.74Å; T152-V167 HydrophobicContact CG2-CG2 4.42Å; D163-V167 VanDerWaalsContact O-CG2 3.27Å; D163-V167 WeakPolarHBondContact O-CG2 3.42Å; D163-V167 PolarHBondContact O-N 3.02Å; V165-V167 VanDerWaalsContact C-N 3.31Å; V165-V167 PolarHBondContact O-N 3.38Å; V167-F170 PolarHBondContact O-N 3.27Å; V167-L171 HydrophobicContact CG1-CD1 3.67Å; V167-L171 HydrophobicContact CG1-CG 4.31Å; V167-L171 WeakPolarHBondContact O-CB 3.44Å; V167-L171 WeakPolarHBondContact O-CG 3.41Å; V167-L171 PolarHBondContact O-N 3.4Å; V167-L218 HydrophobicContact CG1-CD1 4.06Å; V167-L218 HydrophobicContact CG2-CD1 4.03Å; V167-L218 HydrophobicContact CG2-CD2 3.73Å; V167-F222 HydrophobicContact CG1-CE2 4.35Å; V167-F222 HydrophobicContact CG2-CE2 4.44Å; V167-F222 HydrophobicContact CG2-CZ 4.18Å; V167-L232 HydrophobicContact CB-CD1 4.48Å; V167-L232 HydrophobicContact CG1-CD1 4.38Å; V167-L232 HydrophobicContact CG1-CD2 4.17Å; V167-I236 HydrophobicContact CG1-CD1 4.44Å |
| 168 | D | 87.7 | Confident | 79.7 | Confident | 45 Ų | 45 | 46 Ų | 46 | 24% | 0.241 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | -178.1 | -156.8 | 31.6 | 0 | 0 | 0 | 111.8 | V164 V165 L171 D172 L232 K235 | V164-D168 VanDerWaalsContact O-CB 3.27Å; V164-D168 WeakPolarHBondContact O-CB 3.27Å; V164-D168 PolarHBondContact O-N 3.14Å; V165-D168 PolarHBondContact O-N 3.02Å; D168-L171 PolarHBondContact O-N 2.62Å; D168-D172 PolarHBondContact O-N 3.16Å; D168-L232 HydrophobicContact CB-CD2 3.94Å; D168-K235 PolarHBondContact O-NZ 3.24Å; D168-K235 WeakPolarHBondContact OD1-CD 3.38Å; D168-K235 IonicContact OD1-NZ 3.26Å; D168-K235 PolarHBondContact OD1-NZ 3.21Å |
| 169 | L | 86.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 177 | -76.8 | 170.3 | 0 | 0 | 0 | 112.4 | F104 I105 E118 V165 L171 D172 I173 | F104-L169 HydrophobicContact CB-CD1 3.62Å; F104-L169 HydrophobicContact CG-CD1 4.39Å; I105-L169 HydrophobicContact CG1-CD1 4.41Å; E118-L169 HydrophobicContact CB-CD2 3.71Å; E118-L169 HydrophobicContact CG-CD2 4.09Å; V165-L169 HydrophobicContact CG1-CD1 3.74Å; V165-L169 HydrophobicContact CG1-CG 4.23Å; V165-L169 WeakPolarHBondContact O-CB 3.01Å; V165-L169 WeakPolarHBondContact O-CG 3.32Å; V165-L169 PolarHBondContact O-N 3.45Å; L169-L171 VanDerWaalsContact C-N 3.31Å; L169-L171 PolarHBondContact O-N 2.7Å; L169-D172 PolarHBondContact O-N 3.39Å; L169-I173 WeakPolarHBondContact O-CD1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.49Å; L169-I173 PolarHBondContact O-N 3.26Å |
| 170 | F | 91.4 | Very high | 82.9 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 178.3 | 176.7 | -101.7 | 0 | 0 | 0 | 111.2 | L144 L145 L148 A166 V167 I173 L174 L211 | L144-F170 HydrophobicContact CB-CD2 4.39Å; L144-F170 HydrophobicContact CB-CE2 4.19Å; L145-F170 HydrophobicContact CD2-CE2 4.13Å; L145-F170 HydrophobicContact CD2-CZ 3.72Å; L145-F170 HydrophobicContact CG-CZ 4.46Å; L148-F170 HydrophobicContact CD1-CB 4.33Å; L148-F170 HydrophobicContact CD2-CD1 3.79Å; L148-F170 HydrophobicContact CD2-CD2 4.32Å; L148-F170 HydrophobicContact CD2-CE1 3.93Å; L148-F170 HydrophobicContact CD2-CE2 4.45Å; L148-F170 HydrophobicContact CD2-CG 3.96Å; L148-F170 HydrophobicContact CD2-CZ 4.25Å; A166-F170 VanDerWaalsContact O-CB 3.26Å; A166-F170 WeakPolarHBondContact O-CB 3.29Å; A166-F170 PolarHBondContact O-N 3.25Å; A166-F170 VanDerWaalsContact O-N 3.1Å; V167-F170 PolarHBondContact O-N 3.27Å; F170-I173 PolarHBondContact O-N 3.33Å; F170-L174 HydrophobicContact CD1-CD1 4.09Å; F170-L174 HydrophobicContact CE1-CD1 3.56Å; F170-L174 HydrophobicContact CE1-CG 4.47Å; F170-L174 HydrophobicContact CZ-CD1 3.88Å; F170-L174 WeakPolarHBondContact O-CG 3.22Å; F170-L174 PolarHBondContact O-N 2.88Å; F170-L211 HydrophobicContact CE2-CD2 4.23Å; F170-L211 HydrophobicContact CZ-CD2 3.54Å |
| 171 | L | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.3 | -34.9 | 177.4 | -65 | 168.4 | 0 | 0 | 0 | 112.6 | V167 D168 L169 I173 L174 I175 K235 I236 T239 | V167-L171 HydrophobicContact CG1-CD1 3.67Å; V167-L171 HydrophobicContact CG1-CG 4.31Å; V167-L171 WeakPolarHBondContact O-CB 3.44Å; V167-L171 WeakPolarHBondContact O-CG 3.41Å; V167-L171 PolarHBondContact O-N 3.4Å; D168-L171 PolarHBondContact O-N 2.62Å; L169-L171 VanDerWaalsContact C-N 3.31Å; L169-L171 PolarHBondContact O-N 2.7Å; L171-I173 VanDerWaalsContact C-N 3.34Å; L171-L174 PolarHBondContact O-N 2.77Å; L171-I175 WeakPolarHBondContact O-CB 3.28Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.21Å; L171-I175 PolarHBondContact O-N 3.12Å; L171-K235 HydrophobicContact CB-CD 3.75Å; L171-K235 HydrophobicContact CB-CG 3.94Å; L171-K235 HydrophobicContact CD1-CB 4.01Å; L171-K235 HydrophobicContact CD1-CD 4.06Å; L171-K235 HydrophobicContact CD1-CG 4.06Å; L171-I236 HydrophobicContact CD1-CB 4.44Å; L171-I236 HydrophobicContact CD1-CG1 3.46Å; L171-I236 VanDerWaalsContact CD1-CG1 3.46Å; L171-I236 HydrophobicContact CD2-CB 4.48Å; L171-I236 HydrophobicContact CD2-CG1 4.02Å; L171-I236 HydrophobicContact CG-CG1 4.35Å; L171-T239 HydrophobicContact CD2-CG2 4.45Å |
| 172 | D | 89.5 | Confident | 84 | Confident | 41 Ų | 41 | 21.3 Ų | 21.3 | 22% | 0.219 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -45 | 173 | -81 | -36.3 | 0 | 0 | 0 | 111.3 | D168 L169 L174 I175 D176 K235 | D168-D172 PolarHBondContact O-N 3.16Å; L169-D172 PolarHBondContact O-N 3.39Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 3.42Å; D172-I175 PolarHBondContact O-N 3.45Å; D172-D176 VanDerWaalsContact O-CB 3.28Å; D172-D176 WeakPolarHBondContact O-CB 3.43Å; D172-D176 PolarHBondContact O-N 2.75Å; D172-K235 WeakPolarHBondContact OD1-CE 3.31Å; D172-K235 IonicContact OD1-NZ 3.86Å; D172-K235 PolarHBondContact OD1-NZ 3.12Å; D172-K235 IonicContact OD2-NZ 3.71Å; D172-K235 PolarHBondContact OD2-NZ 3.06Å |
| 173 | I | 90.9 | Very high | 84 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 176.7 | -66.8 | 159.6 | 0 | 0 | 0 | 110.7 | L101 I125 T126 I129 L169 F170 L171 L177 | L101-I173 HydrophobicContact CD2-CD1 4.28Å; I125-I173 HydrophobicContact CB-CD1 4.28Å; I125-I173 HydrophobicContact CB-CG1 4.31Å; I125-I173 HydrophobicContact CD1-CD1 3.81Å; I125-I173 HydrophobicContact CD1-CG1 4.45Å; I125-I173 HydrophobicContact CG2-CD1 4Å; I125-I173 HydrophobicContact CG2-CG1 4.28Å; I125-I173 HydrophobicContact CG2-CG2 3.96Å; T126-I173 PolarHBondContact OG1-O 3.41Å; I129-I173 HydrophobicContact CD1-CG2 3.75Å; L169-I173 WeakPolarHBondContact O-CD1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.49Å; L169-I173 PolarHBondContact O-N 3.26Å; F170-I173 PolarHBondContact O-N 3.33Å; L171-I173 VanDerWaalsContact C-N 3.34Å; I173-L177 WeakPolarHBondContact O-CB 3.45Å; I173-L177 PolarHBondContact O-N 3.24Å |
| 174 | L | 91.3 | Very high | 83.2 | Confident | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.3 | -39.3 | -179.9 | -65.9 | -179.5 | 0 | 0 | 0 | 113 | F141 F170 L171 D172 D178 T239 Y243 | F141-L174 HydrophobicContact CE1-CD2 4.24Å; F170-L174 HydrophobicContact CD1-CD1 4.09Å; F170-L174 HydrophobicContact CE1-CD1 3.56Å; F170-L174 HydrophobicContact CE1-CG 4.47Å; F170-L174 HydrophobicContact CZ-CD1 3.88Å; F170-L174 WeakPolarHBondContact O-CG 3.22Å; F170-L174 PolarHBondContact O-N 2.88Å; L171-L174 PolarHBondContact O-N 2.77Å; D172-L174 VanDerWaalsContact C-N 3.3Å; D172-L174 PolarHBondContact O-N 3.42Å; L174-D178 PolarHBondContact O-N 2.94Å; L174-T239 HydrophobicContact CB-CG2 3.64Å; L174-T239 HydrophobicContact CD1-CG2 3.98Å; L174-T239 HydrophobicContact CG-CG2 4.48Å; L174-Y243 WeakPolarHBondContact CA-OH 3.4Å; L174-Y243 WeakPolarHBondContact O-CE2 3.45Å; L174-Y243 PolarHBondContact O-OH 3.11Å |
| 175 | I | 89.9 | Confident | 82.3 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 17% | 0.169 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.3 | -44.1 | 177 | -69.4 | 169.8 | 0 | 0 | 0 | 110.5 | L171 D172 L177 D178 S179 K235 T239 L242 | L171-I175 WeakPolarHBondContact O-CB 3.28Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.21Å; L171-I175 PolarHBondContact O-N 3.12Å; D172-I175 PolarHBondContact O-N 3.45Å; I175-L177 VanDerWaalsContact C-N 3.3Å; I175-L177 PolarHBondContact O-N 3.2Å; I175-D178 WeakPolarHBondContact O-CB 3.5Å; I175-D178 PolarHBondContact O-N 3.25Å; I175-D178 VanDerWaalsContact O-N 3.09Å; I175-S179 PolarHBondContact O-N 2.99Å; I175-K235 HydrophobicContact CD1-CD 4.32Å; I175-K235 HydrophobicContact CD1-CG 3.55Å; I175-T239 HydrophobicContact CG1-CG2 4.5Å; I175-T239 WeakPolarHBondContact CG1-OG1 3.15Å; I175-L242 HydrophobicContact CG1-CD1 4.33Å; I175-L242 HydrophobicContact CG2-CD1 4.37Å |
| 176 | D | 86.7 | Confident | 81.5 | Confident | 41 Ų | 41 | 37.2 Ų | 37.2 | 22% | 0.219 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 175.5 | -80 | -8.6 | 0 | 0 | 0 | 110.3 | T126 D172 D178 S179 Y180 | T126-D176 HydrophobicContact CG2-CB 4.3Å; D172-D176 VanDerWaalsContact O-CB 3.28Å; D172-D176 WeakPolarHBondContact O-CB 3.43Å; D172-D176 PolarHBondContact O-N 2.75Å; D176-D178 PolarHBondContact O-N 2.93Å; D176-S179 PolarHBondContact O-N 3.25Å; D176-S179 PolarHBondContact O-OG 3.13Å; D176-Y180 VanDerWaalsContact O-CD2 3.25Å; D176-Y180 WeakPolarHBondContact O-CD2 3.47Å; D176-Y180 PolarHBondContact O-N 3.19Å; D176-Y180 VanDerWaalsContact O-N 3.16Å |
| 177 | L | 88.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.7 | -35.6 | 176.8 | -171.8 | 65.8 | 0 | 0 | 0 | 112.6 | T126 I129 I130 F141 I173 I175 I181 I182 L199 M203 | T126-L177 HydrophobicContact CG2-CB 4.1Å; T126-L177 HydrophobicContact CG2-CD1 3.89Å; I129-L177 HydrophobicContact CB-CD1 4.25Å; I129-L177 HydrophobicContact CD1-CD2 4.39Å; I129-L177 HydrophobicContact CG2-CD1 3.83Å; I129-L177 HydrophobicContact CG2-CD2 4.12Å; I130-L177 HydrophobicContact CG1-CD1 4.24Å; F141-L177 HydrophobicContact CZ-CD2 4.32Å; I173-L177 WeakPolarHBondContact O-CB 3.45Å; I173-L177 PolarHBondContact O-N 3.24Å; I175-L177 VanDerWaalsContact C-N 3.3Å; I175-L177 PolarHBondContact O-N 3.2Å; L177-I181 PolarHBondContact O-N 2.96Å; L177-I182 HydrophobicContact CD2-CD1 4.41Å; L177-I182 HydrophobicContact CG-CD1 4.15Å; L177-L199 HydrophobicContact CD1-CD2 4.09Å; L177-M203 HydrophobicContact CD2-CE 4.13Å; L177-M203 HydrophobicContact CD2-SD 4Å |
| 178 | D | 86.2 | Confident | 80 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.08 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -63.5 | -46.9 | 174.8 | -175.5 | 76.7 | 0 | 0 | 0 | 111.9 | L174 I175 D176 Y180 I182 S183 L242 Y243 | L174-D178 PolarHBondContact O-N 2.94Å; I175-D178 WeakPolarHBondContact O-CB 3.5Å; I175-D178 PolarHBondContact O-N 3.25Å; I175-D178 VanDerWaalsContact O-N 3.09Å; D176-D178 PolarHBondContact O-N 2.93Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 3.05Å; D178-I182 HydrophobicContact CB-CB 4.46Å; D178-I182 PolarHBondContact O-N 3.38Å; D178-I182 VanDerWaalsContact O-N 3.13Å; D178-I182 WeakPolarHBondContact OD1-CB 3.41Å; D178-I182 VanDerWaalsContact OD1-CG2 3.3Å; D178-I182 WeakPolarHBondContact OD1-CG2 3.43Å; D178-S183 WeakPolarHBondContact O-CB 3.4Å; D178-S183 PolarHBondContact O-N 3.44Å; D178-L242 HydrophobicContact CB-CD1 4.22Å; D178-Y243 HydrophobicContact CB-CE2 4.23Å |
| 179 | S | 82.8 | Confident | 79.6 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 42% | 0.42 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -63.7 | -29.6 | -178.6 | 75.6 | 0 | 0 | 0 | 0 | 114.6 | I175 D176 V186 | I175-S179 PolarHBondContact O-N 2.99Å; D176-S179 PolarHBondContact O-N 3.25Å; D176-S179 PolarHBondContact O-OG 3.13Å; S179-V186 WeakPolarHBondContact O-CG2 3.37Å |
| 180 | Y | 76 | Confident | 79.3 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -84 | -41.5 | -178.1 | -82 | -82.7 | 0 | 0 | 0 | 113.8 | Q123 T126 L127 I130 D176 D178 | Q123-Y180 HydrophobicContact CG-CE2 4.31Å; Q123-Y180 WeakPolarHBondContact CG-OH 3.37Å; Q123-Y180 PolarHBondContact NE2-OH 3.04Å; T126-Y180 HydrophobicContact CG2-CD2 3.7Å; T126-Y180 HydrophobicContact CG2-CE2 4.37Å; T126-Y180 HydrophobicContact CG2-CG 4.32Å; L127-Y180 HydrophobicContact CD2-CE1 4.5Å; I130-Y180 HydrophobicContact CD1-CG 4.38Å; D176-Y180 VanDerWaalsContact O-CD2 3.25Å; D176-Y180 WeakPolarHBondContact O-CD2 3.47Å; D176-Y180 PolarHBondContact O-N 3.19Å; D176-Y180 VanDerWaalsContact O-N 3.16Å; D178-Y180 VanDerWaalsContact C-N 3.32Å; D178-Y180 PolarHBondContact O-N 3.05Å |
| 181 | I | 72.1 | Confident | 78.7 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 8% | 0.077 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -133.6 | -29.9 | -164.5 | -68.4 | -147.4 | 0 | 0 | 0 | 113.9 | I130 L177 S196 L199 | I130-I181 HydrophobicContact CB-CD1 3.99Å; I130-I181 HydrophobicContact CD1-CD1 3.55Å; I130-I181 HydrophobicContact CD1-CG1 3.62Å; I130-I181 HydrophobicContact CG1-CD1 3.41Å; I130-I181 VanDerWaalsContact CG1-CD1 3.41Å; I130-I181 HydrophobicContact CG1-CG1 3.95Å; I130-I181 HydrophobicContact CG2-CD1 3.45Å; I130-I181 VanDerWaalsContact CG2-CD1 3.45Å; L177-I181 PolarHBondContact O-N 2.96Å; I181-S196 VanDerWaalsContact CG2-CA 3.41Å; I181-S196 VanDerWaalsContact CG2-OG 3.29Å; I181-S196 WeakPolarHBondContact CG2-OG 3.47Å; I181-S196 PolarHBondContact O-OG 3.4Å; I181-L199 HydrophobicContact CG2-CD2 4.08Å |
| 182 | I | 72.5 | Confident | 78.2 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -92.4 | -38 | -168.6 | -54.5 | 178.1 | 0 | 0 | 0 | 110.9 | L177 D178 R184 K200 Y243 W246 | L177-I182 HydrophobicContact CD2-CD1 4.41Å; L177-I182 HydrophobicContact CG-CD1 4.15Å; D178-I182 HydrophobicContact CB-CB 4.46Å; D178-I182 PolarHBondContact O-N 3.38Å; D178-I182 VanDerWaalsContact O-N 3.13Å; D178-I182 WeakPolarHBondContact OD1-CB 3.41Å; D178-I182 VanDerWaalsContact OD1-CG2 3.3Å; D178-I182 WeakPolarHBondContact OD1-CG2 3.43Å; I182-R184 PolarHBondContact O-N 3.25Å; I182-K200 HydrophobicContact CG2-CD 4.34Å; I182-Y243 HydrophobicContact CD1-CE1 4.34Å; I182-Y243 HydrophobicContact CD1-CE2 4.48Å; I182-W246 HydrophobicContact CD1-CZ2 3.96Å; I182-W246 HydrophobicContact CG2-CG 4.33Å |
| 183 | S | 68.1 | Low | 77.9 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | trans | -59.7 | 132 | -176 | -177 | 0 | 0 | 0 | 0 | 111.9 | D178 N185 V186 | D178-S183 WeakPolarHBondContact O-CB 3.4Å; D178-S183 PolarHBondContact O-N 3.44Å; S183-N185 PolarHBondContact O-N 3.35Å; S183-N185 PolarHBondContact OG-N 3.26Å; S183-V186 PolarHBondContact O-N 3.21Å | ||
| 184 | R | 60.4 | Low | 77.7 | Confident | 184 Ų | 184 | 74.2 Ų | 74.2 | 69% | 0.694 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13 | 178.5 | -65.8 | -176.9 | -179.8 | -176.8 | -0.1 | 113.3 | I182 V186 | I182-R184 PolarHBondContact O-N 3.25Å; R184-V186 VanDerWaalsContact C-N 3.32Å |
| 185 | N | 60.7 | Low | 77.3 | Confident | 150 Ų | 150 | 76.4 Ų | 76.4 | 80% | 0.802 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.8 | -175.2 | -63 | -13.5 | 0 | 0 | 0 | 112.5 | S183 | S183-N185 PolarHBondContact O-N 3.35Å; S183-N185 PolarHBondContact OG-N 3.26Å |
| 186 | V | 66.7 | Low | 77.1 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -87.8 | 122.5 | 177 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | S179 S183 R184 L188 | S179-V186 WeakPolarHBondContact O-CG2 3.37Å; S183-V186 PolarHBondContact O-N 3.21Å; R184-V186 VanDerWaalsContact C-N 3.32Å; V186-L188 HydrophobicContact CB-CD2 4.25Å; V186-L188 HydrophobicContact CB-CG 4.48Å; V186-L188 HydrophobicContact CG1-CD2 3.66Å; V186-L188 HydrophobicContact CG1-CG 4.29Å; V186-L188 PolarHBondContact O-N 3.12Å |
| 187 | Q | 69.4 | Low | 77.2 | Confident | 195 Ų | 195 | 76.4 Ų | 76.4 | 91% | 0.911 | 38% | 0.378 | S | S | * | . | trans | -74.7 | 89 | 173.5 | -68.4 | -176.7 | 5.5 | 0 | 0 | 109.7 | ||||
| 188 | L | 71.5 | Confident | 77.2 | Confident | 47 Ų | 47 | 79.6 Ų | 79.6 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | trans | -78.7 | 142.1 | 178.3 | -59.9 | 175.8 | 0 | 0 | 0 | 111.2 | V186 E192 L193 | V186-L188 HydrophobicContact CB-CD2 4.25Å; V186-L188 HydrophobicContact CB-CG 4.48Å; V186-L188 HydrophobicContact CG1-CD2 3.66Å; V186-L188 HydrophobicContact CG1-CG 4.29Å; V186-L188 PolarHBondContact O-N 3.12Å; L188-E192 HydrophobicContact CB-CB 3.9Å; L188-E192 HydrophobicContact CD2-CB 4.05Å; L188-E192 HydrophobicContact CG-CB 4.42Å; L188-L193 HydrophobicContact CB-CB 4.39Å; L188-L193 HydrophobicContact CD1-CD1 4.5Å | ||
| 189 | T | 78.5 | Confident | 77.3 | Confident | 82 Ų | 82 | 79 Ų | 79 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | trans | -62.4 | 163.1 | 164.5 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | E191 E192 L193 | T189-E191 PolarHBondContact O-N 3.34Å; T189-E192 WeakPolarHBondContact CB-OE2 3.44Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.45Å; T189-E192 PolarHBondContact N-OE2 3.45Å; T189-E192 PolarHBondContact O-N 3Å; T189-E192 WeakPolarHBondContact OG1-CB 3.48Å; T189-E192 WeakPolarHBondContact OG1-CG 3.28Å; T189-E192 PolarHBondContact OG1-N 3.38Å; T189-E192 PolarHBondContact OG1-OE2 3.24Å; T189-L193 PolarHBondContact O-N 3.22Å | ||
| 190 | T | 80.9 | Confident | 77.6 | Confident | 122 Ų | 122 | 77.3 Ų | 77.3 | 75% | 0.748 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.6 | -36.2 | 179.8 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | R194 | T190-R194 PolarHBondContact O-N 3.36Å; T190-R194 VanDerWaalsContact O-N 3.15Å |
| 191 | E | 79.3 | Confident | 78.3 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.3 | -40.5 | 177.1 | -68.5 | -55.7 | 157.9 | 0 | 0 | 113.1 | T189 L193 R194 R195 | T189-E191 PolarHBondContact O-N 3.34Å; E191-L193 VanDerWaalsContact C-N 3.3Å; E191-L193 PolarHBondContact O-N 3.39Å; E191-R194 WeakPolarHBondContact O-CB 3.31Å; E191-R194 PolarHBondContact O-N 3.19Å; E191-R194 IonicContact OE2-CZ 3.73Å; E191-R194 IonicContact OE2-NE 3.19Å; E191-R194 PolarHBondContact OE2-NE 3.46Å; E191-R194 IonicContact OE2-NH2 3.5Å; E191-R195 PolarHBondContact O-N 2.96Å |
| 192 | E | 80.5 | Confident | 79.2 | Confident | 95 Ų | 95 | 77.4 Ų | 77.4 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 174.7 | -72.7 | 165.9 | 150.6 | 0 | 0 | 111.8 | L188 T189 R195 S196 | L188-E192 HydrophobicContact CB-CB 3.9Å; L188-E192 HydrophobicContact CD2-CB 4.05Å; L188-E192 HydrophobicContact CG-CB 4.42Å; T189-E192 WeakPolarHBondContact CB-OE2 3.44Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.45Å; T189-E192 PolarHBondContact N-OE2 3.45Å; T189-E192 PolarHBondContact O-N 3Å; T189-E192 WeakPolarHBondContact OG1-CB 3.48Å; T189-E192 WeakPolarHBondContact OG1-CG 3.28Å; T189-E192 PolarHBondContact OG1-N 3.38Å; T189-E192 PolarHBondContact OG1-OE2 3.24Å; E192-R195 PolarHBondContact O-N 2.92Å; E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 3.37Å; E192-S196 PolarHBondContact O-N 3.24Å |
| 193 | L | 82.6 | Confident | 80 | Confident | 85 Ų | 85 | 77 Ų | 77 | 45% | 0.445 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.1 | -178.8 | 63.5 | 0 | 0 | 0 | 111.7 | L188 T189 E191 S196 N197 | L188-L193 HydrophobicContact CB-CB 4.39Å; L188-L193 HydrophobicContact CD1-CD1 4.5Å; T189-L193 PolarHBondContact O-N 3.22Å; E191-L193 VanDerWaalsContact C-N 3.3Å; E191-L193 PolarHBondContact O-N 3.39Å; L193-S196 WeakPolarHBondContact O-CB 3.36Å; L193-S196 PolarHBondContact O-N 3.31Å; L193-N197 PolarHBondContact O-N 3.25Å; L193-N197 PolarHBondContact O-ND2 2.87Å |
| 194 | R | 85.9 | Confident | 81 | Confident | 139 Ų | 139 | 81 Ų | 81 | 53% | 0.525 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.4 | -172.6 | -179.5 | 70.5 | 95.8 | -5.4 | 110.5 | T190 E191 S196 N197 E198 | T190-R194 PolarHBondContact O-N 3.36Å; T190-R194 VanDerWaalsContact O-N 3.15Å; E191-R194 WeakPolarHBondContact O-CB 3.31Å; E191-R194 PolarHBondContact O-N 3.19Å; E191-R194 IonicContact OE2-CZ 3.73Å; E191-R194 IonicContact OE2-NE 3.19Å; E191-R194 PolarHBondContact OE2-NE 3.46Å; E191-R194 IonicContact OE2-NH2 3.5Å; R194-S196 VanDerWaalsContact C-N 3.32Å; R194-S196 PolarHBondContact O-N 2.89Å; R194-N197 PolarHBondContact O-N 2.96Å; R194-E198 IonicContact CZ-OE1 3.52Å; R194-E198 IonicContact NH1-OE1 2.65Å; R194-E198 PolarHBondContact NH1-OE1 2.69Å; R194-E198 WeakPolarHBondContact O-CG 3.49Å; R194-E198 PolarHBondContact O-N 3.47Å |
| 195 | R | 84 | Confident | 82.4 | Confident | 51 Ų | 51 | 80.6 Ų | 80.6 | 19% | 0.192 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 177.2 | -172.1 | 64.5 | -179.5 | 145.5 | 5.1 | 112.4 | I130 Y133 E191 E192 E198 L199 | I130-R195 PolarHBondContact O-NE 2.88Å; I130-R195 VanDerWaalsContact O-NE 3.13Å; I130-R195 PolarHBondContact O-NH2 2.86Å; Y133-R195 PolarHBondContact O-NH2 3.42Å; E191-R195 PolarHBondContact O-N 2.96Å; E192-R195 PolarHBondContact O-N 2.92Å; R195-E198 IonicContact NH1-OE2 3.38Å; R195-E198 PolarHBondContact NH1-OE2 3.22Å; R195-E198 PolarHBondContact O-N 3.3Å; R195-L199 WeakPolarHBondContact O-CB 3.31Å; R195-L199 PolarHBondContact O-N 2.93Å |
| 196 | S | 86.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | I181 E192 L193 R194 L199 K200 | I181-S196 VanDerWaalsContact CG2-CA 3.41Å; I181-S196 VanDerWaalsContact CG2-OG 3.29Å; I181-S196 WeakPolarHBondContact CG2-OG 3.47Å; I181-S196 PolarHBondContact O-OG 3.4Å; E192-S196 VanDerWaalsContact O-CB 3.27Å; E192-S196 WeakPolarHBondContact O-CB 3.37Å; E192-S196 PolarHBondContact O-N 3.24Å; L193-S196 WeakPolarHBondContact O-CB 3.36Å; L193-S196 PolarHBondContact O-N 3.31Å; R194-S196 VanDerWaalsContact C-N 3.32Å; R194-S196 PolarHBondContact O-N 2.89Å; S196-L199 PolarHBondContact O-N 3.39Å; S196-K200 WeakPolarHBondContact O-CE 3.13Å; S196-K200 PolarHBondContact O-N 3.22Å; S196-K200 WeakPolarHBondContact OG-CE 3.34Å; S196-K200 PolarHBondContact OG-NZ 2.98Å |
| 197 | N | 88.3 | Confident | 84.7 | Confident | 73 Ų | 73 | 73.8 Ų | 73.8 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.5 | -44 | 178.7 | -68.6 | -27.3 | 0 | 0 | 0 | 111.7 | L193 R194 L199 K200 D201 | L193-N197 PolarHBondContact O-N 3.25Å; L193-N197 PolarHBondContact O-ND2 2.87Å; R194-N197 PolarHBondContact O-N 2.96Å; N197-L199 VanDerWaalsContact C-N 3.29Å; N197-L199 PolarHBondContact O-N 3.09Å; N197-K200 PolarHBondContact O-N 3.21Å; N197-D201 WeakPolarHBondContact O-CB 3.2Å; N197-D201 PolarHBondContact O-N 2.96Å |
| 198 | E | 88.6 | Confident | 85.7 | Confident | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.308 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56 | -44.4 | 174.3 | -72.2 | 173.6 | -172.7 | 0 | 0 | 112.1 | R194 R195 A202 | R194-E198 IonicContact CZ-OE1 3.52Å; R194-E198 IonicContact NH1-OE1 2.65Å; R194-E198 PolarHBondContact NH1-OE1 2.69Å; R194-E198 WeakPolarHBondContact O-CG 3.49Å; R194-E198 PolarHBondContact O-N 3.47Å; R195-E198 IonicContact NH1-OE2 3.38Å; R195-E198 PolarHBondContact NH1-OE2 3.22Å; R195-E198 PolarHBondContact O-N 3.3Å; E198-A202 WeakPolarHBondContact O-CB 3.49Å; E198-A202 PolarHBondContact O-N 3.31Å |
| 199 | L | 88.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 177.9 | 179.3 | 62.5 | 0 | 0 | 0 | 111.7 | I129 Y133 L177 I181 R195 S196 N197 D201 A202 M203 | I129-L199 HydrophobicContact CG2-CD1 3.97Å; I129-L199 HydrophobicContact CG2-CD2 4.44Å; Y133-L199 HydrophobicContact CD1-CD1 3.39Å; Y133-L199 HydrophobicContact CE1-CD1 3.83Å; L177-L199 HydrophobicContact CD1-CD2 4.09Å; I181-L199 HydrophobicContact CG2-CD2 4.08Å; R195-L199 WeakPolarHBondContact O-CB 3.31Å; R195-L199 PolarHBondContact O-N 2.93Å; S196-L199 PolarHBondContact O-N 3.39Å; N197-L199 VanDerWaalsContact C-N 3.29Å; N197-L199 PolarHBondContact O-N 3.09Å; L199-D201 PolarHBondContact O-N 3.03Å; L199-A202 PolarHBondContact O-N 3.27Å; L199-M203 HydrophobicContact CD1-CG 4.42Å; L199-M203 HydrophobicContact CD1-SD 4.32Å; L199-M203 HydrophobicContact CG-SD 4.24Å; L199-M203 VanDerWaalsContact O-CG 3.3Å; L199-M203 WeakPolarHBondContact O-CG 3.38Å; L199-M203 PolarHBondContact O-N 2.98Å |
| 200 | K | 88.7 | Confident | 87.2 | Confident | 26 Ų | 26 | 63.1 Ų | 63.1 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 178.6 | -84.1 | 174.3 | -86.5 | -167.8 | 0 | 112 | I182 S196 N197 M203 R204 W246 | I182-K200 HydrophobicContact CG2-CD 4.34Å; S196-K200 WeakPolarHBondContact O-CE 3.13Å; S196-K200 PolarHBondContact O-N 3.22Å; S196-K200 WeakPolarHBondContact OG-CE 3.34Å; S196-K200 PolarHBondContact OG-NZ 2.98Å; N197-K200 PolarHBondContact O-N 3.21Å; K200-M203 PolarHBondContact O-N 3.1Å; K200-R204 WeakPolarHBondContact O-CG 3.25Å; K200-R204 PolarHBondContact O-N 3.25Å; K200-W246 HydrophobicContact CB-CE3 4Å; K200-W246 HydrophobicContact CB-CZ3 4.14Å; K200-W246 HydrophobicContact CD-CB 4.33Å; K200-W246 HydrophobicContact CD-CD2 4.09Å; K200-W246 HydrophobicContact CD-CE3 4.37Å; K200-W246 HydrophobicContact CD-CG 4.06Å; K200-W246 HydrophobicContact CG-CD2 3.92Å; K200-W246 HydrophobicContact CG-CE3 3.85Å; K200-W246 HydrophobicContact CG-CG 4.42Å; K200-W246 HydrophobicContact CG-CH2 4.41Å; K200-W246 HydrophobicContact CG-CZ2 4.46Å; K200-W246 HydrophobicContact CG-CZ3 4.1Å; K200-W246 WeakPolarHBondContact O-CZ3 3.34Å |
| 201 | D | 90.6 | Very high | 87.7 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | -179.4 | -70.1 | -26.7 | 0 | 0 | 0 | 111.4 | N197 L199 M203 R204 E205 | N197-D201 WeakPolarHBondContact O-CB 3.2Å; N197-D201 PolarHBondContact O-N 2.96Å; L199-D201 PolarHBondContact O-N 3.03Å; D201-M203 PolarHBondContact O-N 3.35Å; D201-R204 WeakPolarHBondContact O-CB 3.41Å; D201-R204 PolarHBondContact O-N 3.16Å; D201-R204 IonicContact OD1-CZ 2.83Å; D201-R204 IonicContact OD1-NH1 3.98Å; D201-R204 PolarHBondContact OD1-NH1 3.02Å; D201-E205 WeakPolarHBondContact O-CG 3.4Å; D201-E205 PolarHBondContact O-N 3.46Å; D201-E205 VanDerWaalsContact O-N 3.16Å |
| 202 | A | 91.3 | Very high | 88.3 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y133 P134 E198 L199 R204 E205 S206 | Y133-A202 HydrophobicContact CE1-CB 3.73Å; Y133-A202 PolarHBondContact OH-O 2.93Å; Y133-A202 VanDerWaalsContact OH-O 3.07Å; P134-A202 HydrophobicContact CB-CB 3.67Å; P134-A202 HydrophobicContact CG-CB 3.66Å; E198-A202 WeakPolarHBondContact O-CB 3.49Å; E198-A202 PolarHBondContact O-N 3.31Å; L199-A202 PolarHBondContact O-N 3.27Å; A202-R204 VanDerWaalsContact C-N 3.32Å; A202-R204 PolarHBondContact O-N 3.13Å; A202-E205 PolarHBondContact O-N 2.71Å; A202-S206 PolarHBondContact O-N 2.77Å; A202-S206 PolarHBondContact O-OG 3.32Å |
| 203 | M | 90.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.5 | -72.8 | -179 | 72.8 | 0 | 0 | 112.1 | Y133 F141 L177 L199 K200 D201 E205 C207 I208 L211 Y243 W246 | Y133-M203 HydrophobicContact CE1-CG 3.81Å; Y133-M203 WeakPolarHBondContact OH-CA 3.44Å; Y133-M203 PolarHBondContact OH-N 3.37Å; F141-M203 HydrophobicContact CE1-CE 3.84Å; F141-M203 HydrophobicContact CE2-CE 4.09Å; F141-M203 HydrophobicContact CE2-CG 3.77Å; F141-M203 HydrophobicContact CE2-SD 4.12Å; F141-M203 HydrophobicContact CZ-CE 3.46Å; F141-M203 VanDerWaalsContact CZ-CE 3.46Å; F141-M203 HydrophobicContact CZ-CG 4.05Å; F141-M203 HydrophobicContact CZ-SD 3.78Å; L177-M203 HydrophobicContact CD2-CE 4.13Å; L177-M203 HydrophobicContact CD2-SD 4Å; L199-M203 HydrophobicContact CD1-CG 4.42Å; L199-M203 HydrophobicContact CD1-SD 4.32Å; L199-M203 HydrophobicContact CG-SD 4.24Å; L199-M203 VanDerWaalsContact O-CG 3.3Å; L199-M203 WeakPolarHBondContact O-CG 3.38Å; L199-M203 PolarHBondContact O-N 2.98Å; K200-M203 PolarHBondContact O-N 3.1Å; D201-M203 PolarHBondContact O-N 3.35Å; M203-E205 VanDerWaalsContact C-N 3.3Å; M203-E205 PolarHBondContact O-N 3.14Å; M203-C207 PolarHBondContact O-N 3.43Å; M203-C207 VanDerWaalsContact O-N 3.17Å; M203-I208 WeakPolarHBondContact O-CB 3.38Å; M203-I208 PolarHBondContact O-N 3.21Å; M203-L211 HydrophobicContact CE-CD1 4.08Å; M203-Y243 HydrophobicContact CE-CE1 3.98Å; M203-W246 HydrophobicContact CB-CH2 3.94Å; M203-W246 HydrophobicContact CB-CZ3 4.25Å; M203-W246 HydrophobicContact CE-CH2 4.17Å; M203-W246 HydrophobicContact SD-CH2 4.15Å |
| 204 | R | 89 | Confident | 89.2 | Confident | 113 Ų | 113 | 49.8 Ų | 49.8 | 43% | 0.426 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 175.8 | -76.7 | 175.7 | -176.4 | 150.3 | -4.4 | 112.2 | K200 D201 A202 W246 | K200-R204 WeakPolarHBondContact O-CG 3.25Å; K200-R204 PolarHBondContact O-N 3.25Å; D201-R204 WeakPolarHBondContact O-CB 3.41Å; D201-R204 PolarHBondContact O-N 3.16Å; D201-R204 IonicContact OD1-CZ 2.83Å; D201-R204 IonicContact OD1-NH1 3.98Å; D201-R204 PolarHBondContact OD1-NH1 3.02Å; A202-R204 VanDerWaalsContact C-N 3.32Å; A202-R204 PolarHBondContact O-N 3.13Å; R204-W246 HydrophobicContact CG-CE3 4.1Å; R204-W246 HydrophobicContact CG-CZ3 3.87Å; R204-W246 VanDerWaalsContact CZ-O 3.25Å; R204-W246 PolarHBondContact NE-O 2.95Å; R204-W246 PolarHBondContact NH2-O 3.25Å |
| 205 | E | 88.1 | Confident | 89.4 | Confident | 175 Ų | 175 | 43.4 Ų | 43.4 | 82% | 0.818 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -79.4 | -37.2 | -176.9 | -68.9 | -178.2 | 175.6 | 0 | 0 | 112.9 | D201 A202 M203 | D201-E205 WeakPolarHBondContact O-CG 3.4Å; D201-E205 PolarHBondContact O-N 3.46Å; D201-E205 VanDerWaalsContact O-N 3.16Å; A202-E205 PolarHBondContact O-N 2.71Å; M203-E205 VanDerWaalsContact C-N 3.3Å; M203-E205 PolarHBondContact O-N 3.14Å |
| 206 | S | 87.5 | Confident | 89.8 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 46% | 0.462 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -102.4 | -46.5 | -168.2 | 84.6 | 0 | 0 | 0 | 0 | 114.9 | Y133 A202 | Y133-S206 PolarHBondContact OH-OG 2.87Å; A202-S206 PolarHBondContact O-N 2.77Å; A202-S206 PolarHBondContact O-OG 3.32Å |
| 207 | C | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -21.7 | -161.9 | 66 | 0 | 0 | 0 | 0 | 115.2 | F141 M203 G209 S210 L211 | F141-C207 HydrophobicContact CB-CB 3.55Å; F141-C207 HydrophobicContact CD2-CB 4.11Å; F141-C207 WeakPolarHBondContact CD2-SG 3.28Å; F141-C207 HydrophobicContact CG-CB 3.91Å; F141-C207 VanDerWaalsContact CG-SG 3.59Å; M203-C207 PolarHBondContact O-N 3.43Å; M203-C207 VanDerWaalsContact O-N 3.17Å; C207-G209 VanDerWaalsContact C-N 3.3Å; C207-G209 PolarHBondContact O-N 2.97Å; C207-S210 WeakPolarHBondContact O-CB 3.41Å; C207-S210 PolarHBondContact O-N 3.43Å; C207-S210 VanDerWaalsContact O-N 3.08Å; C207-L211 HydrophobicContact CB-CD1 4.42Å; C207-L211 HydrophobicContact CB-CG 4.46Å; C207-L211 WeakPolarHBondContact O-CG 3.35Å; C207-L211 PolarHBondContact O-N 3.06Å |
| 208 | I | 90.4 | Very high | 90 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | -168.9 | -160.5 | 64.2 | 0 | 0 | 0 | 113.2 | M203 L211 I212 Y243 W246 V247 L251 | M203-I208 WeakPolarHBondContact O-CB 3.38Å; M203-I208 PolarHBondContact O-N 3.21Å; I208-L211 HydrophobicContact CD1-CD1 4.21Å; I208-L211 PolarHBondContact O-N 3.32Å; I208-I212 HydrophobicContact CD1-CD1 4.5Å; I208-I212 HydrophobicContact CG1-CD1 3.85Å; I208-I212 HydrophobicContact CG1-CG1 4.5Å; I208-I212 WeakPolarHBondContact O-CD1 3.41Å; I208-I212 VanDerWaalsContact O-CG1 3.27Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.1Å; I208-Y243 HydrophobicContact CD1-CD1 3.98Å; I208-W246 HydrophobicContact CD1-CH2 4.03Å; I208-V247 HydrophobicContact CD1-CG2 3.72Å; I208-V247 HydrophobicContact CG1-CB 4.47Å; I208-V247 HydrophobicContact CG1-CG1 3.97Å; I208-V247 HydrophobicContact CG1-CG2 3.63Å; I208-L251 HydrophobicContact CG2-CD1 4.09Å |
| 209 | G | 90.3 | Very high | 90 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 37% | 0.371 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | C207 H213 | C207-G209 VanDerWaalsContact C-N 3.3Å; C207-G209 PolarHBondContact O-N 2.97Å; G209-H213 WeakPolarHBondContact O-CB 3.48Å; G209-H213 PolarHBondContact O-N 2.89Å |
| 210 | S | 90.8 | Very high | 89.9 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 39% | 0.392 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.5 | -45 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | C207 I212 H213 T214 | C207-S210 WeakPolarHBondContact O-CB 3.41Å; C207-S210 PolarHBondContact O-N 3.43Å; C207-S210 VanDerWaalsContact O-N 3.08Å; S210-I212 PolarHBondContact O-N 3.06Å; S210-H213 PolarHBondContact O-N 3.37Å; S210-T214 PolarHBondContact O-N 2.93Å; S210-T214 PolarHBondContact O-OG1 3.43Å; S210-T214 VanDerWaalsContact O-OG1 3.04Å |
| 211 | L | 91.4 | Very high | 89.7 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 177.5 | -68.2 | 174.5 | 0 | 0 | 0 | 111.6 | F141 L145 F170 M203 C207 I208 T214 C215 | F141-L211 HydrophobicContact CD1-CD1 4.14Å; F141-L211 HydrophobicContact CD1-CD2 4.23Å; F141-L211 HydrophobicContact CE1-CD1 4.37Å; L145-L211 HydrophobicContact CD1-CD2 4.11Å; L145-L211 HydrophobicContact CD2-CD2 4.06Å; L145-L211 HydrophobicContact CG-CD2 4.11Å; F170-L211 HydrophobicContact CE2-CD2 4.23Å; F170-L211 HydrophobicContact CZ-CD2 3.54Å; M203-L211 HydrophobicContact CE-CD1 4.08Å; C207-L211 HydrophobicContact CB-CD1 4.42Å; C207-L211 HydrophobicContact CB-CG 4.46Å; C207-L211 WeakPolarHBondContact O-CG 3.35Å; C207-L211 PolarHBondContact O-N 3.06Å; I208-L211 HydrophobicContact CD1-CD1 4.21Å; I208-L211 PolarHBondContact O-N 3.32Å; L211-T214 PolarHBondContact O-N 3.44Å; L211-C215 PolarHBondContact O-N 3.4Å; L211-C215 PolarHBondContact O-SG 2.92Å; L211-C215 VanDerWaalsContact O-SG 3.34Å |
| 212 | I | 91.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 179.8 | -67.4 | 160.2 | 0 | 0 | 0 | 110.9 | I208 S210 T214 C215 Y216 V247 L251 V252 W257 | I208-I212 HydrophobicContact CD1-CD1 4.5Å; I208-I212 HydrophobicContact CG1-CD1 3.85Å; I208-I212 HydrophobicContact CG1-CG1 4.5Å; I208-I212 WeakPolarHBondContact O-CD1 3.41Å; I208-I212 VanDerWaalsContact O-CG1 3.27Å; I208-I212 WeakPolarHBondContact O-CG1 3.46Å; I208-I212 PolarHBondContact O-N 3.1Å; S210-I212 PolarHBondContact O-N 3.06Å; I212-T214 PolarHBondContact O-N 3Å; I212-C215 PolarHBondContact O-N 3.17Å; I212-Y216 PolarHBondContact O-N 3.36Å; I212-V247 HydrophobicContact CD1-CG1 3.66Å; I212-L251 HydrophobicContact CD1-CB 3.74Å; I212-L251 HydrophobicContact CD1-CD1 3.96Å; I212-L251 HydrophobicContact CD1-CG 4.48Å; I212-L251 WeakPolarHBondContact CG2-O 3.4Å; I212-V252 HydrophobicContact CD1-CG1 3.74Å; I212-V252 HydrophobicContact CG1-CG1 4.09Å; I212-V252 HydrophobicContact CG2-CG1 3.99Å; I212-W257 HydrophobicContact CG2-CZ2 3.77Å |
| 213 | H | 91 | Very high | 89.1 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 177.5 | -174 | 67.1 | 0 | 0 | 0 | 112 | G209 S210 Y216 Q217 | G209-H213 WeakPolarHBondContact O-CB 3.48Å; G209-H213 PolarHBondContact O-N 2.89Å; S210-H213 PolarHBondContact O-N 3.37Å; H213-Y216 WeakPolarHBondContact O-CB 3.4Å; H213-Y216 PolarHBondContact O-N 3.3Å; H213-Q217 PolarHBondContact CD2-NE2 3.06Å; H213-Q217 PolarHBondContact NE2-NE2 3.16Å; H213-Q217 WeakPolarHBondContact O-CG 3.26Å; H213-Q217 PolarHBondContact O-N 3.46Å |
| 214 | T | 90.6 | Very high | 88.5 | Confident | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.5 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | L145 L148 S210 L211 I212 Y216 Q217 L218 | L145-T214 HydrophobicContact CD2-CG2 3.91Å; L148-T214 HydrophobicContact CD2-CG2 3.69Å; S210-T214 PolarHBondContact O-N 2.93Å; S210-T214 PolarHBondContact O-OG1 3.43Å; S210-T214 VanDerWaalsContact O-OG1 3.04Å; L211-T214 PolarHBondContact O-N 3.44Å; I212-T214 PolarHBondContact O-N 3Å; T214-Y216 VanDerWaalsContact C-N 3.31Å; T214-Y216 PolarHBondContact O-N 3.38Å; T214-Q217 PolarHBondContact O-N 3.01Å; T214-L218 HydrophobicContact CG2-CD1 4.35Å; T214-L218 HydrophobicContact CG2-CG 4.45Å; T214-L218 WeakPolarHBondContact O-CG 3.29Å; T214-L218 PolarHBondContact O-N 3.26Å |
| 215 | C | 91.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 174.4 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | L211 I212 L218 I219 I236 I240 | L211-C215 PolarHBondContact O-N 3.4Å; L211-C215 PolarHBondContact O-SG 2.92Å; L211-C215 VanDerWaalsContact O-SG 3.34Å; I212-C215 PolarHBondContact O-N 3.17Å; C215-L218 PolarHBondContact O-N 3.41Å; C215-I219 WeakPolarHBondContact O-CG1 3.27Å; C215-I219 PolarHBondContact O-N 3.27Å; C215-I219 VanDerWaalsContact O-N 3.13Å; C215-I236 HydrophobicContact CB-CG2 3.65Å; C215-I240 HydrophobicContact CB-CD1 3.91Å; C215-I240 HydrophobicContact CB-CG1 4.35Å |
| 216 | Y | 91.3 | Very high | 87.7 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -49 | 174.5 | -175.4 | -90.9 | 0 | 0 | 0 | 111.8 | I212 H213 T214 L218 I219 H220 E256 W257 L260 | I212-Y216 PolarHBondContact O-N 3.36Å; H213-Y216 WeakPolarHBondContact O-CB 3.4Å; H213-Y216 PolarHBondContact O-N 3.3Å; T214-Y216 VanDerWaalsContact C-N 3.31Å; T214-Y216 PolarHBondContact O-N 3.38Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 2.98Å; Y216-I219 PolarHBondContact O-N 3.09Å; Y216-H220 PolarHBondContact O-N 2.73Å; Y216-E256 HydrophobicContact CE2-CB 4.09Å; Y216-W257 AromaticContact CD2-CD2 3.91Å; Y216-W257 HydrophobicContact CD2-CD2 3.91Å; Y216-W257 AromaticContact CD2-CE2 3.74Å; Y216-W257 HydrophobicContact CD2-CE3 4.18Å; Y216-W257 HydrophobicContact CD2-CG 4.45Å; Y216-W257 HydrophobicContact CD2-CH2 4.06Å; Y216-W257 AromaticContact CD2-CZ2 3.84Å; Y216-W257 HydrophobicContact CD2-CZ2 3.84Å; Y216-W257 HydrophobicContact CD2-CZ3 4.26Å; Y216-W257 HydrophobicContact CE2-CD2 4.5Å; Y216-W257 HydrophobicContact CG-CH2 4.48Å; Y216-W257 HydrophobicContact CG-CZ2 4.23Å; Y216-L260 HydrophobicContact CD2-CD2 3.64Å; Y216-L260 HydrophobicContact CE2-CB 4.05Å; Y216-L260 HydrophobicContact CE2-CD2 3.61Å; Y216-L260 HydrophobicContact CE2-CG 4.38Å; Y216-L260 HydrophobicContact CG-CD2 4.46Å |
| 217 | Q | 89.3 | Confident | 87.2 | Confident | 101 Ų | 101 | 44.9 Ų | 44.9 | 47% | 0.472 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61 | -40.9 | 178 | -71.4 | -178.1 | -12.2 | 0 | 0 | 112.4 | H213 T214 H220 R221 | H213-Q217 PolarHBondContact CD2-NE2 3.06Å; H213-Q217 PolarHBondContact NE2-NE2 3.16Å; H213-Q217 WeakPolarHBondContact O-CG 3.26Å; H213-Q217 PolarHBondContact O-N 3.46Å; T214-Q217 PolarHBondContact O-N 3.01Å; Q217-H220 PolarHBondContact O-N 2.8Å; Q217-R221 WeakPolarHBondContact O-CB 3.27Å; Q217-R221 PolarHBondContact O-N 3.33Å |
| 218 | L | 88.7 | Confident | 86.8 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 177.3 | -74.4 | 175.3 | 0 | 0 | 0 | 111.9 | L148 T152 V167 T214 C215 Y216 H220 R221 F222 I236 | L148-L218 HydrophobicContact CD2-CD1 4.22Å; T152-L218 HydrophobicContact CG2-CD2 4.33Å; V167-L218 HydrophobicContact CG1-CD1 4.06Å; V167-L218 HydrophobicContact CG2-CD1 4.03Å; V167-L218 HydrophobicContact CG2-CD2 3.73Å; T214-L218 HydrophobicContact CG2-CD1 4.35Å; T214-L218 HydrophobicContact CG2-CG 4.45Å; T214-L218 WeakPolarHBondContact O-CG 3.29Å; T214-L218 PolarHBondContact O-N 3.26Å; C215-L218 PolarHBondContact O-N 3.41Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 2.98Å; L218-H220 VanDerWaalsContact C-N 3.34Å; L218-H220 PolarHBondContact O-N 2.69Å; L218-R221 PolarHBondContact O-N 3Å; L218-F222 HydrophobicContact CB-CE2 4.22Å; L218-F222 HydrophobicContact CD2-CE2 4.39Å; L218-F222 WeakPolarHBondContact O-CD2 3.44Å; L218-F222 VanDerWaalsContact O-CG 3.31Å; L218-F222 WeakPolarHBondContact O-CG 3.45Å; L218-F222 PolarHBondContact O-N 3.19Å; L218-I236 HydrophobicContact CB-CD1 3.9Å; L218-I236 HydrophobicContact CD1-CD1 4.43Å |
| 219 | I | 88.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.4 | -65.1 | 169.1 | 0 | 0 | 0 | 110.3 | C215 Y216 R221 F222 L223 I236 L237 W257 L260 L264 | C215-I219 WeakPolarHBondContact O-CG1 3.27Å; C215-I219 PolarHBondContact O-N 3.27Å; C215-I219 VanDerWaalsContact O-N 3.13Å; Y216-I219 PolarHBondContact O-N 3.09Å; I219-R221 VanDerWaalsContact C-N 3.27Å; I219-R221 PolarHBondContact O-N 3.31Å; I219-F222 CarbonylContact O-C 3.53Å; I219-F222 PolarHBondContact O-N 3.29Å; I219-F222 VanDerWaalsContact O-N 3.13Å; I219-L223 PolarHBondContact O-N 2.82Å; I219-I236 HydrophobicContact CD1-CB 4.29Å; I219-I236 HydrophobicContact CD1-CG2 3.65Å; I219-I236 HydrophobicContact CG1-CB 4.24Å; I219-I236 HydrophobicContact CG1-CD1 3.97Å; I219-I236 HydrophobicContact CG1-CG2 3.84Å; I219-L237 HydrophobicContact CD1-CD2 3.81Å; I219-L237 HydrophobicContact CD1-CG 4.22Å; I219-W257 HydrophobicContact CD1-CH2 4.17Å; I219-W257 HydrophobicContact CD1-CZ3 3.82Å; I219-L260 HydrophobicContact CB-CD2 4.08Å; I219-L260 HydrophobicContact CD1-CD2 4.31Å; I219-L260 HydrophobicContact CG2-CD1 3.95Å; I219-L260 HydrophobicContact CG2-CD2 3.79Å; I219-L260 HydrophobicContact CG2-CG 4.05Å; I219-L264 HydrophobicContact CG2-CD1 3.82Å; I219-L264 HydrophobicContact CG2-CD2 4.31Å; I219-L264 HydrophobicContact CG2-CG 4.43Å |
| 220 | H | 87.1 | Confident | 86.4 | Confident | 110 Ų | 110 | 49.3 Ų | 49.3 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 178.4 | -165.1 | -72.2 | 0 | 0 | 0 | 112 | Y216 Q217 L218 L223 | Y216-H220 PolarHBondContact O-N 2.73Å; Q217-H220 PolarHBondContact O-N 2.8Å; L218-H220 VanDerWaalsContact C-N 3.34Å; L218-H220 PolarHBondContact O-N 2.69Å; H220-L223 WeakPolarHBondContact O-CB 3.25Å; H220-L223 PolarHBondContact O-N 3.43Å |
| 221 | R | 85.2 | Confident | 86.4 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 174.5 | -166.5 | 172.9 | 83.4 | 136.1 | 11.7 | 112 | T152 D163 Q217 L218 I219 L223 | T152-R221 PolarHBondContact O-NH1 3.37Å; D163-R221 IonicContact OD2-CZ 3.94Å; D163-R221 VanDerWaalsContact OD2-CZ 3.26Å; D163-R221 IonicContact OD2-NH1 3.88Å; D163-R221 PolarHBondContact OD2-NH1 3Å; D163-R221 IonicContact OD2-NH2 2.92Å; D163-R221 PolarHBondContact OD2-NH2 3.5Å; Q217-R221 WeakPolarHBondContact O-CB 3.27Å; Q217-R221 PolarHBondContact O-N 3.33Å; L218-R221 PolarHBondContact O-N 3Å; I219-R221 VanDerWaalsContact C-N 3.27Å; I219-R221 PolarHBondContact O-N 3.31Å; R221-L223 VanDerWaalsContact C-N 3.3Å; R221-L223 PolarHBondContact O-N 2.91Å |
| 222 | F | 85.1 | Confident | 86.3 | Confident | 11 Ų | 11 | 50.5 Ų | 50.5 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.9 | -6.8 | 178.9 | -61.4 | -41.5 | 0 | 0 | 0 | 114.1 | V167 L218 I219 N224 S225 C226 N229 L232 I233 I236 | V167-F222 HydrophobicContact CG1-CE2 4.35Å; V167-F222 HydrophobicContact CG2-CE2 4.44Å; V167-F222 HydrophobicContact CG2-CZ 4.18Å; L218-F222 HydrophobicContact CB-CE2 4.22Å; L218-F222 HydrophobicContact CD2-CE2 4.39Å; L218-F222 WeakPolarHBondContact O-CD2 3.44Å; L218-F222 VanDerWaalsContact O-CG 3.31Å; L218-F222 WeakPolarHBondContact O-CG 3.45Å; L218-F222 PolarHBondContact O-N 3.19Å; I219-F222 CarbonylContact O-C 3.53Å; I219-F222 PolarHBondContact O-N 3.29Å; I219-F222 VanDerWaalsContact O-N 3.13Å; F222-N224 VanDerWaalsContact C-N 3.3Å; F222-N224 PolarHBondContact O-N 3.23Å; F222-S225 CarbonylContact O-C 3.58Å; F222-S225 PolarHBondContact O-N 3.31Å; F222-C226 WeakPolarHBondContact O-CA 3.28Å; F222-C226 PolarHBondContact O-N 2.87Å; F222-N229 HydrophobicContact CB-CB 4.21Å; F222-N229 HydrophobicContact CD1-CB 4.22Å; F222-N229 WeakPolarHBondContact CD1-ND2 3.4Å; F222-N229 HydrophobicContact CG-CB 4.12Å; F222-L232 HydrophobicContact CE2-CD1 4.11Å; F222-L232 HydrophobicContact CZ-CD1 4.02Å; F222-I233 HydrophobicContact CB-CD1 4.1Å; F222-I233 HydrophobicContact CB-CG1 4.16Å; F222-I236 HydrophobicContact CD2-CD1 4.3Å; F222-I236 HydrophobicContact CE2-CD1 4.27Å |
| 223 | L | 82.7 | Confident | 86.3 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -57.1 | -40.6 | -176.1 | -161.7 | 72.1 | 0 | 0 | 0 | 113 | I219 H220 R221 S225 C226 R263 L264 L267 | I219-L223 PolarHBondContact O-N 2.82Å; H220-L223 WeakPolarHBondContact O-CB 3.25Å; H220-L223 PolarHBondContact O-N 3.43Å; R221-L223 VanDerWaalsContact C-N 3.3Å; R221-L223 PolarHBondContact O-N 2.91Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 3.01Å; L223-C226 PolarHBondContact O-SG 2.9Å; L223-R263 HydrophobicContact CD1-CG 4.28Å; L223-R263 HydrophobicContact CD2-CG 4.09Å; L223-L264 HydrophobicContact CD1-CD2 3.63Å; L223-L264 HydrophobicContact CD1-CG 4.23Å; L223-L267 HydrophobicContact CD1-CD1 3.78Å; L223-L267 HydrophobicContact CG-CD1 3.99Å |
| 224 | N | 78 | Confident | 86.4 | Confident | 155 Ų | 155 | 48.4 Ų | 48.4 | 83% | 0.829 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -73.8 | -19 | 178.9 | -67.3 | -21.8 | 0 | 0 | 0 | 113.6 | F222 | F222-N224 VanDerWaalsContact C-N 3.3Å; F222-N224 PolarHBondContact O-N 3.23Å |
| 225 | S | 82.2 | Confident | 86.5 | Confident | 64 Ų | 64 | 48.6 Ų | 48.6 | 45% | 0.448 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -127.8 | 38 | 179.8 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | F222 L223 Q227 S228 N229 | F222-S225 CarbonylContact O-C 3.58Å; F222-S225 PolarHBondContact O-N 3.31Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 3.01Å; S225-Q227 VanDerWaalsContact C-N 3.29Å; S225-Q227 PolarHBondContact O-N 2.86Å; S225-S228 PolarHBondContact O-N 3.13Å; S225-N229 PolarHBondContact O-N 3.13Å; S225-N229 PolarHBondContact O-ND2 2.99Å; S225-N229 VanDerWaalsContact O-ND2 3.16Å |
| 226 | C | 78.7 | Confident | 86.7 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 9% | 0.088 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -36.6 | -170 | 52.4 | 0 | 0 | 0 | 0 | 112 | F222 L223 N229 A230 I233 I282 | F222-C226 WeakPolarHBondContact O-CA 3.28Å; F222-C226 PolarHBondContact O-N 2.87Å; L223-C226 PolarHBondContact O-SG 2.9Å; C226-N229 CarbonylContact O-C 3.47Å; C226-N229 PolarHBondContact O-N 3.03Å; C226-A230 WeakPolarHBondContact O-CA 3.46Å; C226-A230 PolarHBondContact O-N 2.85Å; C226-I233 HydrophobicContact CB-CD1 3.75Å; C226-I282 HydrophobicContact CB-CD1 4.12Å |
| 227 | Q | 77.8 | Confident | 86.8 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -46.7 | 178.8 | -67.9 | 174.3 | -11.2 | 0 | 0 | 112.3 | S225 N229 A230 N275 A278 | S225-Q227 VanDerWaalsContact C-N 3.29Å; S225-Q227 PolarHBondContact O-N 2.86Å; Q227-N229 PolarHBondContact O-N 3.41Å; Q227-A230 PolarHBondContact O-N 3.13Å; Q227-N275 VanDerWaalsContact CD-ND2 3.28Å; Q227-N275 PolarHBondContact OE1-ND2 3.18Å; Q227-A278 HydrophobicContact CB-CB 4.44Å |
| 228 | S | 81.6 | Confident | 87 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 77% | 0.769 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.2 | 179 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | S225 | S225-S228 PolarHBondContact O-N 3.13Š|
| 229 | N | 84.5 | Confident | 87.1 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 19.3 | -177.8 | -63.1 | -52.6 | 0 | 0 | 0 | 112.7 | F222 S225 C226 Q227 C231 L232 I233 | F222-N229 HydrophobicContact CB-CB 4.21Å; F222-N229 HydrophobicContact CD1-CB 4.22Å; F222-N229 WeakPolarHBondContact CD1-ND2 3.4Å; F222-N229 HydrophobicContact CG-CB 4.12Å; S225-N229 PolarHBondContact O-N 3.13Å; S225-N229 PolarHBondContact O-ND2 2.99Å; S225-N229 VanDerWaalsContact O-ND2 3.16Å; C226-N229 CarbonylContact O-C 3.47Å; C226-N229 PolarHBondContact O-N 3.03Å; Q227-N229 PolarHBondContact O-N 3.41Å; N229-C231 VanDerWaalsContact C-N 3.31Å; N229-C231 PolarHBondContact O-N 3.43Å; N229-L232 WeakPolarHBondContact O-CB 3.48Å; N229-L232 PolarHBondContact O-N 3.39Å; N229-I233 PolarHBondContact O-N 2.71Å |
| 230 | A | 87.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.3 | -44 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C226 Q227 L232 I233 R234 A278 I281 I282 | C226-A230 WeakPolarHBondContact O-CA 3.46Å; C226-A230 PolarHBondContact O-N 2.85Å; Q227-A230 PolarHBondContact O-N 3.13Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.31Å; A230-I233 PolarHBondContact O-N 3.33Å; A230-R234 WeakPolarHBondContact O-CB 3.31Å; A230-R234 PolarHBondContact O-N 3.13Å; A230-A278 HydrophobicContact CB-CB 3.93Å; A230-I281 HydrophobicContact CB-CB 4.21Å; A230-I281 HydrophobicContact CB-CG2 3.94Å; A230-I282 HydrophobicContact CB-CD1 4.2Å; A230-I282 HydrophobicContact CB-CG1 3.86Å |
| 231 | C | 89.4 | Confident | 87.5 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 52% | 0.52 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 177.6 | -62 | 0 | 0 | 0 | 0 | 112.9 | N229 K235 | N229-C231 VanDerWaalsContact C-N 3.31Å; N229-C231 PolarHBondContact O-N 3.43Å; C231-K235 WeakPolarHBondContact O-CB 3.49Å; C231-K235 PolarHBondContact O-N 3.13Å |
| 232 | L | 89.9 | Confident | 87.7 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -45.6 | 176.1 | -69.8 | -178.4 | 0 | 0 | 0 | 110.8 | V164 V167 D168 F222 N229 A230 R234 K235 I236 | V164-L232 HydrophobicContact CB-CD1 4.15Å; V164-L232 HydrophobicContact CG1-CD1 3.91Å; V164-L232 HydrophobicContact CG1-CG 4.46Å; V164-L232 HydrophobicContact CG2-CD1 3.99Å; V167-L232 HydrophobicContact CB-CD1 4.48Å; V167-L232 HydrophobicContact CG1-CD1 4.38Å; V167-L232 HydrophobicContact CG1-CD2 4.17Å; D168-L232 HydrophobicContact CB-CD2 3.94Å; F222-L232 HydrophobicContact CE2-CD1 4.11Å; F222-L232 HydrophobicContact CZ-CD1 4.02Å; N229-L232 WeakPolarHBondContact O-CB 3.48Å; N229-L232 PolarHBondContact O-N 3.39Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.31Å; L232-R234 VanDerWaalsContact C-N 3.29Å; L232-R234 PolarHBondContact O-N 3.48Å; L232-K235 PolarHBondContact O-N 3.48Å; L232-K235 VanDerWaalsContact O-N 3.1Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.46Å |
| 233 | I | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 176.8 | -66 | 171.4 | 0 | 0 | 0 | 110 | F222 C226 N229 A230 K235 I236 L237 L264 I282 | F222-I233 HydrophobicContact CB-CD1 4.1Å; F222-I233 HydrophobicContact CB-CG1 4.16Å; C226-I233 HydrophobicContact CB-CD1 3.75Å; N229-I233 PolarHBondContact O-N 2.71Å; A230-I233 PolarHBondContact O-N 3.33Å; I233-K235 VanDerWaalsContact C-N 3.33Å; I233-K235 PolarHBondContact O-N 3.35Å; I233-I236 PolarHBondContact O-N 3.03Å; I233-L237 HydrophobicContact CG2-CD1 3.95Å; I233-L237 HydrophobicContact CG2-CG 4.45Å; I233-L237 WeakPolarHBondContact O-CB 3.42Å; I233-L237 WeakPolarHBondContact O-CG 3.3Å; I233-L237 PolarHBondContact O-N 3.45Å; I233-L264 HydrophobicContact CG2-CD1 4.3Å; I233-L264 HydrophobicContact CG2-CD2 4.44Å; I233-I282 HydrophobicContact CG2-CG2 4.45Å |
| 234 | R | 93.3 | Very high | 88.1 | Confident | 74 Ų | 74 | 35.1 Ų | 35.1 | 28% | 0.279 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.9 | -47.6 | 174.4 | -175.5 | -175.2 | 70.6 | 92.8 | 2.2 | 111.6 | A230 L232 L237 H238 I281 | A230-R234 WeakPolarHBondContact O-CB 3.31Å; A230-R234 PolarHBondContact O-N 3.13Å; L232-R234 VanDerWaalsContact C-N 3.29Å; L232-R234 PolarHBondContact O-N 3.48Å; R234-L237 PolarHBondContact O-N 2.96Å; R234-H238 VanDerWaalsContact O-CB 3.3Å; R234-H238 WeakPolarHBondContact O-CB 3.21Å; R234-H238 PolarHBondContact O-N 3.25Å; R234-I281 HydrophobicContact CB-CG2 3.86Å; R234-I281 HydrophobicContact CG-CG2 4.41Å |
| 235 | K | 92.6 | Very high | 88.3 | Confident | 21 Ų | 21 | 29.4 Ų | 29.4 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | -178.1 | -160.6 | -178.9 | -173.1 | -176.3 | 0 | 112.5 | D168 L171 D172 I175 C231 L232 I233 T239 | D168-K235 PolarHBondContact O-NZ 3.24Å; D168-K235 WeakPolarHBondContact OD1-CD 3.38Å; D168-K235 IonicContact OD1-NZ 3.26Å; D168-K235 PolarHBondContact OD1-NZ 3.21Å; L171-K235 HydrophobicContact CB-CD 3.75Å; L171-K235 HydrophobicContact CB-CG 3.94Å; L171-K235 HydrophobicContact CD1-CB 4.01Å; L171-K235 HydrophobicContact CD1-CD 4.06Å; L171-K235 HydrophobicContact CD1-CG 4.06Å; D172-K235 WeakPolarHBondContact OD1-CE 3.31Å; D172-K235 IonicContact OD1-NZ 3.86Å; D172-K235 PolarHBondContact OD1-NZ 3.12Å; D172-K235 IonicContact OD2-NZ 3.71Å; D172-K235 PolarHBondContact OD2-NZ 3.06Å; I175-K235 HydrophobicContact CD1-CD 4.32Å; I175-K235 HydrophobicContact CD1-CG 3.55Å; C231-K235 WeakPolarHBondContact O-CB 3.49Å; C231-K235 PolarHBondContact O-N 3.13Å; L232-K235 PolarHBondContact O-N 3.48Å; L232-K235 VanDerWaalsContact O-N 3.1Å; I233-K235 VanDerWaalsContact C-N 3.33Å; I233-K235 PolarHBondContact O-N 3.35Å; K235-T239 WeakPolarHBondContact O-CB 3.35Å; K235-T239 PolarHBondContact O-N 2.96Å; K235-T239 PolarHBondContact O-OG1 3.19Å |
| 236 | I | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -51 | 174.1 | -62.3 | 165.2 | 0 | 0 | 0 | 109.9 | V167 L171 C215 L218 I219 F222 L232 I233 H238 T239 I240 | V167-I236 HydrophobicContact CG1-CD1 4.44Å; L171-I236 HydrophobicContact CD1-CB 4.44Å; L171-I236 HydrophobicContact CD1-CG1 3.46Å; L171-I236 VanDerWaalsContact CD1-CG1 3.46Å; L171-I236 HydrophobicContact CD2-CB 4.48Å; L171-I236 HydrophobicContact CD2-CG1 4.02Å; L171-I236 HydrophobicContact CG-CG1 4.35Å; C215-I236 HydrophobicContact CB-CG2 3.65Å; L218-I236 HydrophobicContact CB-CD1 3.9Å; L218-I236 HydrophobicContact CD1-CD1 4.43Å; I219-I236 HydrophobicContact CD1-CB 4.29Å; I219-I236 HydrophobicContact CD1-CG2 3.65Å; I219-I236 HydrophobicContact CG1-CB 4.24Å; I219-I236 HydrophobicContact CG1-CD1 3.97Å; I219-I236 HydrophobicContact CG1-CG2 3.84Å; F222-I236 HydrophobicContact CD2-CD1 4.3Å; F222-I236 HydrophobicContact CE2-CD1 4.27Å; L232-I236 VanDerWaalsContact O-CG1 3.27Å; L232-I236 WeakPolarHBondContact O-CG1 3.44Å; L232-I236 PolarHBondContact O-N 3.46Å; I233-I236 PolarHBondContact O-N 3.03Å; I236-H238 VanDerWaalsContact C-N 3.35Å; I236-H238 PolarHBondContact O-N 3.22Å; I236-T239 PolarHBondContact O-N 3.24Å; I236-I240 HydrophobicContact CG2-CD1 4.09Å; I236-I240 WeakPolarHBondContact O-CG1 3.44Å; I236-I240 PolarHBondContact O-N 3.46Å; I236-I240 VanDerWaalsContact O-N 3.08Å |
| 237 | L | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | -179.8 | -71.1 | 175.7 | 0 | 0 | 0 | 112.1 | I219 I233 R234 I240 G241 L261 L264 G285 I286 Y289 | I219-L237 HydrophobicContact CD1-CD2 3.81Å; I219-L237 HydrophobicContact CD1-CG 4.22Å; I233-L237 HydrophobicContact CG2-CD1 3.95Å; I233-L237 HydrophobicContact CG2-CG 4.45Å; I233-L237 WeakPolarHBondContact O-CB 3.42Å; I233-L237 WeakPolarHBondContact O-CG 3.3Å; I233-L237 PolarHBondContact O-N 3.45Å; R234-L237 PolarHBondContact O-N 2.96Å; L237-I240 PolarHBondContact O-N 3.46Å; L237-G241 PolarHBondContact O-N 3.08Å; L237-L261 HydrophobicContact CD2-CD2 3.81Å; L237-L264 HydrophobicContact CD1-CD1 4.25Å; L237-G285 VanDerWaalsContact CB-O 3.29Å; L237-G285 WeakPolarHBondContact CB-O 3.09Å; L237-I286 HydrophobicContact CD1-CG1 3.83Å; L237-Y289 HydrophobicContact CB-CD2 4.46Å; L237-Y289 HydrophobicContact CD2-CD2 3.85Å; L237-Y289 HydrophobicContact CD2-CE2 4.35Å; L237-Y289 HydrophobicContact CD2-CG 4.28Å; L237-Y289 WeakPolarHBondContact O-CD2 3.37Å |
| 238 | H | 93.6 | Very high | 89.2 | Confident | 49 Ų | 49 | 27.9 Ų | 27.9 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 174.1 | 179.4 | -145.1 | 0 | 0 | 0 | 111.9 | R234 I236 I240 G241 L242 L288 | R234-H238 VanDerWaalsContact O-CB 3.3Å; R234-H238 WeakPolarHBondContact O-CB 3.21Å; R234-H238 PolarHBondContact O-N 3.25Å; I236-H238 VanDerWaalsContact C-N 3.35Å; I236-H238 PolarHBondContact O-N 3.22Å; H238-I240 VanDerWaalsContact C-N 3.32Å; H238-I240 PolarHBondContact O-N 3.39Å; H238-G241 WeakPolarHBondContact O-CA 3.27Å; H238-G241 PolarHBondContact O-N 2.94Å; H238-G241 VanDerWaalsContact O-N 3.08Å; H238-L242 WeakPolarHBondContact O-CG 3.31Å; H238-L242 PolarHBondContact O-N 2.85Å; H238-L288 HydrophobicContact CB-CB 4.35Å; H238-L288 HydrophobicContact CB-CD1 3.98Å |
| 239 | T | 91.8 | Very high | 89.2 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 178.7 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | L171 L174 I175 K235 I236 L242 Y243 | L171-T239 HydrophobicContact CD2-CG2 4.45Å; L174-T239 HydrophobicContact CB-CG2 3.64Å; L174-T239 HydrophobicContact CD1-CG2 3.98Å; L174-T239 HydrophobicContact CG-CG2 4.48Å; I175-T239 HydrophobicContact CG1-CG2 4.5Å; I175-T239 WeakPolarHBondContact CG1-OG1 3.15Å; K235-T239 WeakPolarHBondContact O-CB 3.35Å; K235-T239 PolarHBondContact O-N 2.96Å; K235-T239 PolarHBondContact O-OG1 3.19Å; I236-T239 PolarHBondContact O-N 3.24Å; T239-L242 PolarHBondContact O-N 3.08Å; T239-Y243 HydrophobicContact CG2-CD2 4.36Å; T239-Y243 HydrophobicContact CG2-CE2 4.23Å; T239-Y243 WeakPolarHBondContact O-CD2 3.23Å; T239-Y243 PolarHBondContact O-N 3.45Å |
| 240 | I | 93 | Very high | 89.3 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67 | -39 | 177.1 | -57.5 | 162.7 | 0 | 0 | 0 | 111 | C215 I236 L237 H238 L242 Y243 A244 V252 W257 Y289 | C215-I240 HydrophobicContact CB-CD1 3.91Å; C215-I240 HydrophobicContact CB-CG1 4.35Å; I236-I240 HydrophobicContact CG2-CD1 4.09Å; I236-I240 WeakPolarHBondContact O-CG1 3.44Å; I236-I240 PolarHBondContact O-N 3.46Å; I236-I240 VanDerWaalsContact O-N 3.08Å; L237-I240 PolarHBondContact O-N 3.46Å; H238-I240 VanDerWaalsContact C-N 3.32Å; H238-I240 PolarHBondContact O-N 3.39Å; I240-L242 PolarHBondContact O-N 3.42Å; I240-Y243 PolarHBondContact O-N 2.98Å; I240-A244 WeakPolarHBondContact O-CB 3.4Å; I240-A244 PolarHBondContact O-N 2.92Å; I240-V252 HydrophobicContact CG2-CB 4.21Å; I240-V252 HydrophobicContact CG2-CG1 3.66Å; I240-W257 HydrophobicContact CD1-CH2 3.2Å; I240-W257 HydrophobicContact CD1-CZ2 3.85Å; I240-W257 HydrophobicContact CD1-CZ3 3.67Å; I240-Y289 HydrophobicContact CB-CD2 3.89Å; I240-Y289 HydrophobicContact CB-CE2 3.66Å; I240-Y289 HydrophobicContact CD1-CE2 4.06Å; I240-Y289 HydrophobicContact CG2-CD2 3.99Å; I240-Y289 HydrophobicContact CG2-CE2 3.34Å |
| 241 | G | 90.4 | Very high | 89.2 | Confident | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L237 H238 Y243 A244 G292 | L237-G241 PolarHBondContact O-N 3.08Å; H238-G241 WeakPolarHBondContact O-CA 3.27Å; H238-G241 PolarHBondContact O-N 2.94Å; H238-G241 VanDerWaalsContact O-N 3.08Å; G241-Y243 PolarHBondContact O-N 3.42Å; G241-A244 WeakPolarHBondContact O-CB 3.43Å; G241-A244 PolarHBondContact O-N 2.92Å; G241-G292 WeakPolarHBondContact O-CA 3.07Å |
| 242 | L | 88.7 | Confident | 88.9 | Confident | 44 Ų | 44 | 26.5 Ų | 26.5 | 23% | 0.23 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 175.9 | -67.9 | 173.6 | 0 | 0 | 0 | 111.6 | I175 D178 H238 T239 I240 S245 | I175-L242 HydrophobicContact CG1-CD1 4.33Å; I175-L242 HydrophobicContact CG2-CD1 4.37Å; D178-L242 HydrophobicContact CB-CD1 4.22Å; H238-L242 WeakPolarHBondContact O-CG 3.31Å; H238-L242 PolarHBondContact O-N 2.85Å; T239-L242 PolarHBondContact O-N 3.08Å; I240-L242 PolarHBondContact O-N 3.42Å; L242-S245 PolarHBondContact O-OG 3.37Å |
| 243 | Y | 89.4 | Confident | 88.5 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 5% | 0.047 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -76.9 | -24.6 | -175.2 | -77.6 | -129 | 0 | 0 | 0 | 112.6 | L174 D178 I182 M203 I208 T239 I240 G241 S245 W246 V247 | L174-Y243 WeakPolarHBondContact CA-OH 3.4Å; L174-Y243 WeakPolarHBondContact O-CE2 3.45Å; L174-Y243 PolarHBondContact O-OH 3.11Å; D178-Y243 HydrophobicContact CB-CE2 4.23Å; I182-Y243 HydrophobicContact CD1-CE1 4.34Å; I182-Y243 HydrophobicContact CD1-CE2 4.48Å; M203-Y243 HydrophobicContact CE-CE1 3.98Å; I208-Y243 HydrophobicContact CD1-CD1 3.98Å; T239-Y243 HydrophobicContact CG2-CD2 4.36Å; T239-Y243 HydrophobicContact CG2-CE2 4.23Å; T239-Y243 WeakPolarHBondContact O-CD2 3.23Å; T239-Y243 PolarHBondContact O-N 3.45Å; I240-Y243 PolarHBondContact O-N 2.98Å; G241-Y243 PolarHBondContact O-N 3.42Å; Y243-S245 PolarHBondContact O-N 3.11Å; Y243-W246 HydrophobicContact CD1-CH2 4.15Å; Y243-W246 AromaticContact CD1-CZ2 3.33Å; Y243-W246 HydrophobicContact CD1-CZ2 3.33Å; Y243-W246 HydrophobicContact CE1-CH2 4.43Å; Y243-W246 AromaticContact CE1-CZ2 3.68Å; Y243-W246 HydrophobicContact CE1-CZ2 3.68Å; Y243-W246 HydrophobicContact CG-CZ2 4.06Å; Y243-W246 PolarHBondContact O-N 3.41Å; Y243-W246 VanDerWaalsContact O-N 3.09Å; Y243-V247 WeakPolarHBondContact O-CB 3.39Å; Y243-V247 WeakPolarHBondContact O-CG2 3.29Å; Y243-V247 PolarHBondContact O-N 3.25Å |
| 244 | A | 86.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -25.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I240 G241 W246 F293 K296 | I240-A244 WeakPolarHBondContact O-CB 3.4Å; I240-A244 PolarHBondContact O-N 2.92Å; G241-A244 WeakPolarHBondContact O-CB 3.43Å; G241-A244 PolarHBondContact O-N 2.92Å; A244-W246 PolarHBondContact O-N 3.3Å; A244-F293 HydrophobicContact CB-CD2 4.42Å; A244-F293 HydrophobicContact CB-CE1 4.4Å; A244-F293 HydrophobicContact CB-CE2 4.13Å; A244-F293 HydrophobicContact CB-CZ 4.14Å; A244-K296 VanDerWaalsContact O-CD 3.31Å; A244-K296 WeakPolarHBondContact O-CD 3.43Å |
| 245 | S | 82.3 | Confident | 87.9 | Confident | 34 Ų | 34 | 31.4 Ų | 31.4 | 24% | 0.238 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26 | 179.1 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | L242 Y243 | L242-S245 PolarHBondContact O-OG 3.37Å; Y243-S245 PolarHBondContact O-N 3.11Å |
| 246 | W | 84.3 | Confident | 87.7 | Confident | 20 Ų | 20 | 36 Ų | 36 | 8% | 0.076 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -12.5 | -178.3 | 62.3 | -88.1 | 0 | 0 | 0 | 114.1 | I182 K200 M203 R204 I208 Y243 A244 | I182-W246 HydrophobicContact CD1-CZ2 3.96Å; I182-W246 HydrophobicContact CG2-CG 4.33Å; K200-W246 HydrophobicContact CB-CE3 4Å; K200-W246 HydrophobicContact CB-CZ3 4.14Å; K200-W246 HydrophobicContact CD-CB 4.33Å; K200-W246 HydrophobicContact CD-CD2 4.09Å; K200-W246 HydrophobicContact CD-CE3 4.37Å; K200-W246 HydrophobicContact CD-CG 4.06Å; K200-W246 HydrophobicContact CG-CD2 3.92Å; K200-W246 HydrophobicContact CG-CE3 3.85Å; K200-W246 HydrophobicContact CG-CG 4.42Å; K200-W246 HydrophobicContact CG-CH2 4.41Å; K200-W246 HydrophobicContact CG-CZ2 4.46Å; K200-W246 HydrophobicContact CG-CZ3 4.1Å; K200-W246 WeakPolarHBondContact O-CZ3 3.34Å; M203-W246 HydrophobicContact CB-CH2 3.94Å; M203-W246 HydrophobicContact CB-CZ3 4.25Å; M203-W246 HydrophobicContact CE-CH2 4.17Å; M203-W246 HydrophobicContact SD-CH2 4.15Å; R204-W246 HydrophobicContact CG-CE3 4.1Å; R204-W246 HydrophobicContact CG-CZ3 3.87Å; R204-W246 VanDerWaalsContact CZ-O 3.25Å; R204-W246 PolarHBondContact NE-O 2.95Å; R204-W246 PolarHBondContact NH2-O 3.25Å; I208-W246 HydrophobicContact CD1-CH2 4.03Å; Y243-W246 HydrophobicContact CD1-CH2 4.15Å; Y243-W246 AromaticContact CD1-CZ2 3.33Å; Y243-W246 HydrophobicContact CD1-CZ2 3.33Å; Y243-W246 HydrophobicContact CE1-CH2 4.43Å; Y243-W246 AromaticContact CE1-CZ2 3.68Å; Y243-W246 HydrophobicContact CE1-CZ2 3.68Å; Y243-W246 HydrophobicContact CG-CZ2 4.06Å; Y243-W246 PolarHBondContact O-N 3.41Å; Y243-W246 VanDerWaalsContact O-N 3.09Å; A244-W246 PolarHBondContact O-N 3.3Å |
| 247 | V | 87 | Confident | 87.5 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -79.6 | 151.9 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | I208 I212 Y243 L249 L251 V252 K296 | I208-V247 HydrophobicContact CD1-CG2 3.72Å; I208-V247 HydrophobicContact CG1-CB 4.47Å; I208-V247 HydrophobicContact CG1-CG1 3.97Å; I208-V247 HydrophobicContact CG1-CG2 3.63Å; I212-V247 HydrophobicContact CD1-CG1 3.66Å; Y243-V247 WeakPolarHBondContact O-CB 3.39Å; Y243-V247 WeakPolarHBondContact O-CG2 3.29Å; Y243-V247 PolarHBondContact O-N 3.25Å; V247-L249 PolarHBondContact O-N 2.82Å; V247-L251 HydrophobicContact CG1-CD1 4.19Å; V247-V252 HydrophobicContact CG1-CG1 4.48Å; V247-K296 PolarHBondContact O-NZ 3.41Å |
| 248 | D | 86 | Confident | 87.2 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 48% | 0.476 | 21% | 0.208 | S | C | . | . | trans | -59 | 130.3 | 173.3 | -170.7 | -4.2 | 0 | 0 | 0 | 111.5 | T250 L251 | D248-T250 PolarHBondContact O-N 3.5Å; D248-T250 PolarHBondContact OD1-N 3.27Å; D248-T250 VanDerWaalsContact OD1-N 3.13Å; D248-T250 PolarHBondContact OD1-OG1 3.14Å; D248-T250 PolarHBondContact OD2-OG1 3.4Å; D248-L251 HydrophobicContact CB-CD1 4.46Å; D248-L251 PolarHBondContact O-N 2.75Å | ||
| 249 | L | 83 | Confident | 87 | Confident | 33 Ų | 33 | 38.9 Ų | 38.9 | 17% | 0.173 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -28.4 | 179.6 | -83.7 | 164.7 | 0 | 0 | 0 | 111.9 | V247 L251 V252 A253 F293 K296 M298 L306 | V247-L249 PolarHBondContact O-N 2.82Å; L249-L251 PolarHBondContact O-N 3.11Å; L249-L251 VanDerWaalsContact O-N 3.17Å; L249-V252 PolarHBondContact O-N 2.95Å; L249-V252 VanDerWaalsContact O-N 3.16Å; L249-A253 HydrophobicContact CB-CB 4.48Å; L249-A253 HydrophobicContact CD2-CB 4.13Å; L249-A253 WeakPolarHBondContact O-CA 3.47Å; L249-A253 WeakPolarHBondContact O-CB 3.4Å; L249-A253 PolarHBondContact O-N 3.41Å; L249-F293 HydrophobicContact CD2-CD1 3.47Å; L249-F293 VanDerWaalsContact CD2-CD1 3.47Å; L249-F293 HydrophobicContact CD2-CE1 3.96Å; L249-K296 HydrophobicContact CD1-CD 3.81Å; L249-K296 HydrophobicContact CD2-CD 3.84Å; L249-K296 HydrophobicContact CG-CD 3.57Å; L249-M298 HydrophobicContact CD1-CE 3.7Å; L249-M298 HydrophobicContact CD1-SD 4.12Å; L249-L306 HydrophobicContact CD1-CD2 4.18Å; L249-L306 HydrophobicContact CD2-CD2 4.17Å |
| 250 | T | 85.1 | Confident | 87 | Confident | 92 Ų | 92 | 39 Ų | 39 | 56% | 0.564 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.3 | -25.8 | -178.7 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | D248 | D248-T250 PolarHBondContact O-N 3.5Å; D248-T250 PolarHBondContact OD1-N 3.27Å; D248-T250 VanDerWaalsContact OD1-N 3.13Å; D248-T250 PolarHBondContact OD1-OG1 3.14Å; D248-T250 PolarHBondContact OD2-OG1 3.4Å |
| 251 | L | 85.7 | Confident | 86.8 | Confident | 60 Ų | 60 | 38.8 Ų | 38.8 | 31% | 0.314 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -81.4 | -26.3 | 179.8 | -62.9 | 174 | 0 | 0 | 0 | 113.3 | I208 I212 V247 D248 L249 W257 | I208-L251 HydrophobicContact CG2-CD1 4.09Å; I212-L251 HydrophobicContact CD1-CB 3.74Å; I212-L251 HydrophobicContact CD1-CD1 3.96Å; I212-L251 HydrophobicContact CD1-CG 4.48Å; I212-L251 WeakPolarHBondContact CG2-O 3.4Å; V247-L251 HydrophobicContact CG1-CD1 4.19Å; D248-L251 HydrophobicContact CB-CD1 4.46Å; D248-L251 PolarHBondContact O-N 2.75Å; L249-L251 PolarHBondContact O-N 3.11Å; L249-L251 VanDerWaalsContact O-N 3.17Å; L251-W257 PolarHBondContact O-NE1 3.42Å |
| 252 | V | 84 | Confident | 86.8 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -122.7 | -18.7 | -168.5 | -68 | 0 | 0 | 0 | 0 | 113.6 | I212 I240 V247 L249 W257 Y289 F293 | I212-V252 HydrophobicContact CD1-CG1 3.74Å; I212-V252 HydrophobicContact CG1-CG1 4.09Å; I212-V252 HydrophobicContact CG2-CG1 3.99Å; I240-V252 HydrophobicContact CG2-CB 4.21Å; I240-V252 HydrophobicContact CG2-CG1 3.66Å; V247-V252 HydrophobicContact CG1-CG1 4.48Å; L249-V252 PolarHBondContact O-N 2.95Å; L249-V252 VanDerWaalsContact O-N 3.16Å; V252-W257 WeakPolarHBondContact O-CB 3.27Å; V252-Y289 PolarHBondContact O-OH 2.95Å; V252-F293 HydrophobicContact CB-CE1 3.85Å; V252-F293 HydrophobicContact CB-CZ 3.73Å; V252-F293 HydrophobicContact CG2-CE1 3.44Å; V252-F293 VanDerWaalsContact CG2-CE1 3.44Å; V252-F293 HydrophobicContact CG2-CZ 3.75Å |
| 253 | A | 82.1 | Confident | 86.8 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -112.4 | 29.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L249 F293 L306 | L249-A253 HydrophobicContact CB-CB 4.48Å; L249-A253 HydrophobicContact CD2-CB 4.13Å; L249-A253 WeakPolarHBondContact O-CA 3.47Å; L249-A253 WeakPolarHBondContact O-CB 3.4Å; L249-A253 PolarHBondContact O-N 3.41Å; A253-F293 HydrophobicContact CB-CD1 4.02Å; A253-F293 HydrophobicContact CB-CE1 3.79Å; A253-L306 HydrophobicContact CB-CD1 4.39Å |
| 254 | N | 85.9 | Confident | 86.8 | Confident | 47 Ų | 47 | 42.9 Ų | 42.9 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -82.2 | 168.8 | 176.4 | 69.3 | 26.3 | 0 | 0 | 0 | 111.5 | E256 W257 I258 | N254-E256 PolarHBondContact O-N 3.48Å; N254-E256 WeakPolarHBondContact OD1-CB 3.2Å; N254-E256 PolarHBondContact OD1-N 2.87Å; N254-E256 VanDerWaalsContact OD1-N 3.13Å; N254-W257 PolarHBondContact O-N 3.47Å; N254-W257 VanDerWaalsContact OD1-CD1 3.24Å; N254-W257 PolarHBondContact OD1-N 3.07Å; N254-I258 WeakPolarHBondContact O-CG1 3.15Å; N254-I258 PolarHBondContact O-N 3.17Å |
| 255 | T | 86 | Confident | 86.7 | Confident | 108 Ų | 108 | 43 Ų | 43 | 66% | 0.663 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.9 | -31.6 | -179.1 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | I258 T259 | T255-I258 PolarHBondContact O-N 3.45Å; T255-T259 HydrophobicContact CG2-CG2 4.36Å; T255-T259 VanDerWaalsContact O-CG2 3.28Å; T255-T259 WeakPolarHBondContact O-CG2 3.33Å; T255-T259 PolarHBondContact O-N 2.56Å; T255-T259 PolarHBondContact O-OG1 3.37Å |
| 256 | E | 88.5 | Confident | 86.9 | Confident | 117 Ų | 117 | 44.9 Ų | 44.9 | 55% | 0.547 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67 | -39.8 | 179.3 | -58.6 | -177.1 | 156.1 | 0 | 0 | 112.5 | Y216 N254 T259 L260 | Y216-E256 HydrophobicContact CE2-CB 4.09Å; N254-E256 PolarHBondContact O-N 3.48Å; N254-E256 WeakPolarHBondContact OD1-CB 3.2Å; N254-E256 PolarHBondContact OD1-N 2.87Å; N254-E256 VanDerWaalsContact OD1-N 3.13Å; E256-T259 PolarHBondContact O-OG1 2.7Å; E256-L260 WeakPolarHBondContact O-CB 3.14Å; E256-L260 PolarHBondContact O-N 3.19Å |
| 257 | W | 90.2 | Very high | 86.9 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -42.4 | 173.8 | -82.1 | 105.2 | 0 | 0 | 0 | 111.4 | I212 Y216 I219 I240 L251 V252 N254 T259 L260 L261 Y289 | I212-W257 HydrophobicContact CG2-CZ2 3.77Å; Y216-W257 AromaticContact CD2-CD2 3.91Å; Y216-W257 HydrophobicContact CD2-CD2 3.91Å; Y216-W257 AromaticContact CD2-CE2 3.74Å; Y216-W257 HydrophobicContact CD2-CE3 4.18Å; Y216-W257 HydrophobicContact CD2-CG 4.45Å; Y216-W257 HydrophobicContact CD2-CH2 4.06Å; Y216-W257 AromaticContact CD2-CZ2 3.84Å; Y216-W257 HydrophobicContact CD2-CZ2 3.84Å; Y216-W257 HydrophobicContact CD2-CZ3 4.26Å; Y216-W257 HydrophobicContact CE2-CD2 4.5Å; Y216-W257 HydrophobicContact CG-CH2 4.48Å; Y216-W257 HydrophobicContact CG-CZ2 4.23Å; I219-W257 HydrophobicContact CD1-CH2 4.17Å; I219-W257 HydrophobicContact CD1-CZ3 3.82Å; I240-W257 HydrophobicContact CD1-CH2 3.2Å; I240-W257 HydrophobicContact CD1-CZ2 3.85Å; I240-W257 HydrophobicContact CD1-CZ3 3.67Å; L251-W257 PolarHBondContact O-NE1 3.42Å; V252-W257 WeakPolarHBondContact O-CB 3.27Å; N254-W257 PolarHBondContact O-N 3.47Å; N254-W257 VanDerWaalsContact OD1-CD1 3.24Å; N254-W257 PolarHBondContact OD1-N 3.07Å; W257-T259 VanDerWaalsContact C-N 3.35Å; W257-T259 PolarHBondContact O-N 2.61Å; W257-L260 HydrophobicContact CE3-CD2 4.02Å; W257-L260 HydrophobicContact CZ3-CD2 3.91Å; W257-L260 WeakPolarHBondContact O-CB 3.43Å; W257-L260 PolarHBondContact O-N 2.98Å; W257-L261 VanDerWaalsContact O-CG 3.28Å; W257-L261 WeakPolarHBondContact O-CG 3.35Å; W257-L261 PolarHBondContact O-N 3.28Å; W257-Y289 HydrophobicContact CE3-CE2 4.17Å; W257-Y289 HydrophobicContact CZ3-CE2 4.3Å |
| 258 | I | 87 | Confident | 86.7 | Confident | 29 Ų | 29 | 45.6 Ų | 45.6 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -37.4 | -179.2 | -56.9 | 169.4 | 0 | 0 | 0 | 111.3 | N254 T255 L261 S262 Q313 L314 | N254-I258 WeakPolarHBondContact O-CG1 3.15Å; N254-I258 PolarHBondContact O-N 3.17Å; T255-I258 PolarHBondContact O-N 3.45Å; I258-L261 PolarHBondContact O-N 2.98Å; I258-S262 WeakPolarHBondContact O-CB 3.31Å; I258-S262 PolarHBondContact O-N 3.36Å; I258-S262 PolarHBondContact O-OG 3.33Å; I258-Q313 HydrophobicContact CG2-CB 4.09Å; I258-L314 HydrophobicContact CG2-CD1 4.38Å; I258-L314 HydrophobicContact CG2-CD2 4.15Å; I258-L314 HydrophobicContact CG2-CG 4.19Å |
| 259 | T | 89.6 | Confident | 86.4 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 172.7 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | T255 E256 W257 S262 R263 | T255-T259 HydrophobicContact CG2-CG2 4.36Å; T255-T259 VanDerWaalsContact O-CG2 3.28Å; T255-T259 WeakPolarHBondContact O-CG2 3.33Å; T255-T259 PolarHBondContact O-N 2.56Å; T255-T259 PolarHBondContact O-OG1 3.37Å; E256-T259 PolarHBondContact O-OG1 2.7Å; W257-T259 VanDerWaalsContact C-N 3.35Å; W257-T259 PolarHBondContact O-N 2.61Å; T259-S262 WeakPolarHBondContact CA-OG 3.5Å; T259-S262 PolarHBondContact O-OG 2.85Å; T259-R263 WeakPolarHBondContact O-CB 3.3Å; T259-R263 PolarHBondContact O-N 3.47Å |
| 260 | L | 90.8 | Very high | 85.9 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 173.9 | -177.5 | 66 | 0 | 0 | 0 | 111.6 | Y216 I219 E256 W257 R263 L264 | Y216-L260 HydrophobicContact CD2-CD2 3.64Å; Y216-L260 HydrophobicContact CE2-CB 4.05Å; Y216-L260 HydrophobicContact CE2-CD2 3.61Å; Y216-L260 HydrophobicContact CE2-CG 4.38Å; Y216-L260 HydrophobicContact CG-CD2 4.46Å; I219-L260 HydrophobicContact CB-CD2 4.08Å; I219-L260 HydrophobicContact CD1-CD2 4.31Å; I219-L260 HydrophobicContact CG2-CD1 3.95Å; I219-L260 HydrophobicContact CG2-CD2 3.79Å; I219-L260 HydrophobicContact CG2-CG 4.05Å; E256-L260 WeakPolarHBondContact O-CB 3.14Å; E256-L260 PolarHBondContact O-N 3.19Å; W257-L260 HydrophobicContact CE3-CD2 4.02Å; W257-L260 HydrophobicContact CZ3-CD2 3.91Å; W257-L260 WeakPolarHBondContact O-CB 3.43Å; W257-L260 PolarHBondContact O-N 2.98Å; L260-R263 PolarHBondContact O-N 3.45Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 3.32Å |
| 261 | L | 90.9 | Very high | 84.9 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.5 | -68.5 | 174 | 0 | 0 | 0 | 111.8 | L237 W257 I258 R263 L264 L265 I286 Y289 L314 | L237-L261 HydrophobicContact CD2-CD2 3.81Å; W257-L261 VanDerWaalsContact O-CG 3.28Å; W257-L261 WeakPolarHBondContact O-CG 3.35Å; W257-L261 PolarHBondContact O-N 3.28Å; I258-L261 PolarHBondContact O-N 2.98Å; L261-R263 VanDerWaalsContact C-N 3.3Å; L261-R263 PolarHBondContact O-N 3.36Å; L261-L264 PolarHBondContact O-N 2.93Å; L261-L265 VanDerWaalsContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CB 3.24Å; L261-L265 PolarHBondContact O-N 3.21Å; L261-I286 HydrophobicContact CD2-CG1 4.16Å; L261-I286 HydrophobicContact CD2-CG2 4.3Å; L261-Y289 HydrophobicContact CD1-CD1 3.7Å; L261-Y289 HydrophobicContact CD1-CE1 3.57Å; L261-Y289 HydrophobicContact CD2-CD1 4.31Å; L261-L314 HydrophobicContact CB-CD1 4.37Å; L261-L314 HydrophobicContact CD1-CD1 4.29Å |
| 262 | S | 88.6 | Confident | 83.5 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 19% | 0.189 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 176.3 | 69.6 | 0 | 0 | 0 | 0 | 111.1 | I258 T259 L265 Q266 M317 | I258-S262 WeakPolarHBondContact O-CB 3.31Å; I258-S262 PolarHBondContact O-N 3.36Å; I258-S262 PolarHBondContact O-OG 3.33Å; T259-S262 WeakPolarHBondContact CA-OG 3.5Å; T259-S262 PolarHBondContact O-OG 2.85Å; S262-L265 PolarHBondContact O-N 3.49Å; S262-Q266 WeakPolarHBondContact O-CG 3.47Å; S262-Q266 PolarHBondContact O-N 3.47Å; S262-M317 VanDerWaalsContact O-CE 3.27Å; S262-M317 WeakPolarHBondContact O-CE 3.39Å |
| 263 | R | 89.4 | Confident | 82.3 | Confident | 117 Ų | 117 | 54.2 Ų | 54.2 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 174.8 | -175 | 57.3 | 176.5 | 169 | 3.3 | 112.6 | L223 T259 L260 L261 L265 Q266 L267 | L223-R263 HydrophobicContact CD1-CG 4.28Å; L223-R263 HydrophobicContact CD2-CG 4.09Å; T259-R263 WeakPolarHBondContact O-CB 3.3Å; T259-R263 PolarHBondContact O-N 3.47Å; L260-R263 PolarHBondContact O-N 3.45Å; L261-R263 VanDerWaalsContact C-N 3.3Å; L261-R263 PolarHBondContact O-N 3.36Å; R263-L265 VanDerWaalsContact C-N 3.32Å; R263-Q266 PolarHBondContact O-N 3Å; R263-L267 HydrophobicContact CG-CD1 4.3Å; R263-L267 VanDerWaalsContact O-CG 3.28Å; R263-L267 WeakPolarHBondContact O-CG 3.47Å; R263-L267 PolarHBondContact O-N 2.96Å |
| 264 | L | 88.5 | Confident | 80.9 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.5 | -74.3 | 172.3 | 0 | 0 | 0 | 111.7 | I219 L223 I233 L237 L260 L261 L267 S268 I282 I286 | I219-L264 HydrophobicContact CG2-CD1 3.82Å; I219-L264 HydrophobicContact CG2-CD2 4.31Å; I219-L264 HydrophobicContact CG2-CG 4.43Å; L223-L264 HydrophobicContact CD1-CD2 3.63Å; L223-L264 HydrophobicContact CD1-CG 4.23Å; I233-L264 HydrophobicContact CG2-CD1 4.3Å; I233-L264 HydrophobicContact CG2-CD2 4.44Å; L237-L264 HydrophobicContact CD1-CD1 4.25Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 3.32Å; L261-L264 PolarHBondContact O-N 2.93Å; L264-L267 PolarHBondContact O-N 3.4Å; L264-S268 WeakPolarHBondContact O-CB 3.44Å; L264-S268 PolarHBondContact O-N 3.04Å; L264-I282 HydrophobicContact CB-CG2 4.4Å; L264-I286 HydrophobicContact CB-CD1 4Å |
| 265 | L | 86.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 179.4 | -169.6 | 59.6 | 0 | 0 | 0 | 111.1 | L261 S262 R263 L267 S268 I269 R283 I286 M317 L318 | L261-L265 VanDerWaalsContact O-CB 3.28Å; L261-L265 WeakPolarHBondContact O-CB 3.24Å; L261-L265 PolarHBondContact O-N 3.21Å; S262-L265 PolarHBondContact O-N 3.49Å; R263-L265 VanDerWaalsContact C-N 3.32Å; L265-L267 PolarHBondContact O-N 2.88Å; L265-S268 PolarHBondContact O-N 2.98Å; L265-S268 PolarHBondContact O-OG 3.36Å; L265-I269 HydrophobicContact CD1-CD1 4.18Å; L265-I269 HydrophobicContact CG-CD1 3.91Å; L265-I269 WeakPolarHBondContact O-CD1 3.5Å; L265-I269 VanDerWaalsContact O-CG1 3.24Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 3.33Å; L265-R283 HydrophobicContact CD1-CG 4.17Å; L265-I286 HydrophobicContact CB-CD1 4.09Å; L265-I286 HydrophobicContact CD1-CD1 4.24Å; L265-M317 HydrophobicContact CB-CE 3.96Å; L265-M317 HydrophobicContact CD2-CB 3.41Å; L265-M317 VanDerWaalsContact CD2-CB 3.41Å; L265-M317 HydrophobicContact CD2-CE 4.1Å; L265-M317 HydrophobicContact CG-CB 4.13Å; L265-M317 HydrophobicContact CG-CE 4.11Å; L265-L318 HydrophobicContact CD2-CD2 3.81Å; L265-L318 HydrophobicContact CD2-CG 4.13Å |
| 266 | Q | 85.9 | Confident | 78.9 | Confident | 75 Ų | 75 | 59.1 Ų | 59.1 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.5 | -50.9 | 171.8 | -75.6 | 168.3 | 3.7 | 0 | 0 | 111.9 | S262 R263 S268 I269 D270 M317 | S262-Q266 WeakPolarHBondContact O-CG 3.47Å; S262-Q266 PolarHBondContact O-N 3.47Å; R263-Q266 PolarHBondContact O-N 3Å; Q266-S268 PolarHBondContact O-N 2.99Å; Q266-I269 PolarHBondContact O-N 2.96Å; Q266-D270 PolarHBondContact O-N 3.39Å; Q266-M317 HydrophobicContact CB-CE 4.47Å; Q266-M317 HydrophobicContact CG-CE 3.49Å; Q266-M317 VanDerWaalsContact CG-CE 3.49Å |
| 267 | L | 84.1 | Confident | 78.5 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 18% | 0.183 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.8 | -32.2 | -179.9 | -69.2 | 171.7 | 0 | 0 | 0 | 112.4 | L223 R263 L264 L265 N271 | L223-L267 HydrophobicContact CD1-CD1 3.78Å; L223-L267 HydrophobicContact CG-CD1 3.99Å; R263-L267 HydrophobicContact CG-CD1 4.3Å; R263-L267 VanDerWaalsContact O-CG 3.28Å; R263-L267 WeakPolarHBondContact O-CG 3.47Å; R263-L267 PolarHBondContact O-N 2.96Å; L264-L267 PolarHBondContact O-N 3.4Å; L265-L267 PolarHBondContact O-N 2.88Å; L267-N271 PolarHBondContact O-ND2 3.09Å |
| 268 | S | 83.6 | Confident | 78.2 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -75.8 | -23.4 | 176.1 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | L264 L265 Q266 N279 R283 | L264-S268 WeakPolarHBondContact O-CB 3.44Å; L264-S268 PolarHBondContact O-N 3.04Å; L265-S268 PolarHBondContact O-N 2.98Å; L265-S268 PolarHBondContact O-OG 3.36Å; Q266-S268 PolarHBondContact O-N 2.99Å; S268-N279 PolarHBondContact O-ND2 3.42Å; S268-R283 WeakPolarHBondContact OG-CG 3.49Å |
| 269 | I | 78.8 | Confident | 78.2 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -90.4 | -42 | -178.2 | -68.3 | 166.7 | 0 | 0 | 0 | 111.5 | L265 Q266 N271 M317 | L265-I269 HydrophobicContact CD1-CD1 4.18Å; L265-I269 HydrophobicContact CG-CD1 3.91Å; L265-I269 WeakPolarHBondContact O-CD1 3.5Å; L265-I269 VanDerWaalsContact O-CG1 3.24Å; L265-I269 WeakPolarHBondContact O-CG1 3.46Å; L265-I269 PolarHBondContact O-N 3.33Å; Q266-I269 PolarHBondContact O-N 2.96Å; I269-N271 VanDerWaalsContact C-N 3.31Å; I269-N271 PolarHBondContact O-N 3.14Å; I269-M317 WeakPolarHBondContact CD1-O 3.46Å |
| 270 | D | 72.1 | Confident | 78 | Confident | 114 Ų | 114 | 51 Ų | 51 | 61% | 0.61 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -72.8 | -18.3 | -172 | -69.8 | -23.1 | 0 | 0 | 0 | 114.2 | Q266 N272 | Q266-D270 PolarHBondContact O-N 3.39Å; D270-N272 PolarHBondContact O-N 2.93Å |
| 271 | N | 65.3 | Low | 77.9 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | trans | -91.7 | 91.2 | -174.6 | -75.4 | -45.1 | 0 | 0 | 0 | 111.4 | L267 I269 N279 | L267-N271 PolarHBondContact O-ND2 3.09Å; I269-N271 VanDerWaalsContact C-N 3.31Å; I269-N271 PolarHBondContact O-N 3.14Å; N271-N279 PolarHBondContact O-ND2 3.49Å | ||
| 272 | N | 55.3 | Low | 77.8 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | trans | -87.5 | -18.9 | -164.1 | -83.4 | -29.1 | 0 | 0 | 0 | 118.8 | D270 | D270-N272 PolarHBondContact O-N 2.93Š| ||
| 273 | D | 58.4 | Low | 77.9 | Confident | 143 Ų | 143 | 50.3 Ų | 50.3 | 77% | 0.765 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -118.8 | -19.3 | -156.3 | -65.6 | -39.3 | 0 | 0 | 0 | 118.9 | ||
| 274 | D | 54.3 | Low | 78 | Confident | 153 Ų | 153 | 44.9 Ų | 44.9 | 82% | 0.818 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -137.3 | -15.4 | -176.7 | -73.6 | -44.9 | 0 | 0 | 0 | 117 | ||
| 275 | N | 59.3 | Low | 78.1 | Confident | 70 Ų | 70 | 44.8 Ų | 44.8 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | trans | -121.2 | 38 | -167.2 | -72.9 | -36.4 | 0 | 0 | 0 | 114.6 | Q227 S277 A278 N279 | Q227-N275 VanDerWaalsContact CD-ND2 3.28Å; Q227-N275 PolarHBondContact OE1-ND2 3.18Å; N275-S277 VanDerWaalsContact C-N 3.31Å; N275-S277 PolarHBondContact O-N 3.21Å; N275-A278 PolarHBondContact O-N 3.27Å; N275-N279 PolarHBondContact O-N 3.44Å | ||
| 276 | N | 70.7 | Confident | 78.4 | Confident | 67 Ų | 67 | 44.8 Ų | 44.8 | 36% | 0.358 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -34.8 | -173.2 | -74.2 | -22.8 | 0 | 0 | 0 | 114.5 | A280 | N276-A280 WeakPolarHBondContact O-CB 3.27Å; N276-A280 PolarHBondContact O-N 3.31Å |
| 277 | S | 80.5 | Confident | 78.8 | Confident | 39 Ų | 39 | 41.2 Ų | 41.2 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -52.8 | 175.9 | 158 | 0 | 0 | 0 | 0 | 111.8 | N275 N279 A280 I281 D342 | N275-S277 VanDerWaalsContact C-N 3.31Å; N275-S277 PolarHBondContact O-N 3.21Å; S277-N279 VanDerWaalsContact C-N 3.3Å; S277-N279 PolarHBondContact O-N 2.93Å; S277-A280 WeakPolarHBondContact O-CB 3.39Å; S277-A280 PolarHBondContact O-N 3.34Å; S277-I281 VanDerWaalsContact O-CG1 3.31Å; S277-I281 WeakPolarHBondContact O-CG1 3.37Å; S277-I281 PolarHBondContact O-N 2.93Å; S277-D342 VanDerWaalsContact CB-OD2 3.27Å; S277-D342 WeakPolarHBondContact CB-OD2 3.3Å; S277-D342 PolarHBondContact OG-OD2 3.11Å |
| 278 | A | 83.3 | Confident | 79.2 | Confident | 14 Ų | 14 | 41.3 Ų | 41.3 | 12% | 0.116 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q227 A230 N275 I281 I282 | Q227-A278 HydrophobicContact CB-CB 4.44Å; A230-A278 HydrophobicContact CB-CB 3.93Å; N275-A278 PolarHBondContact O-N 3.27Å; A278-I281 PolarHBondContact O-N 2.85Å; A278-I282 WeakPolarHBondContact O-CG1 3.42Å; A278-I282 PolarHBondContact O-N 3.37Å; A278-I282 VanDerWaalsContact O-N 3.07Å |
| 279 | N | 85.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.011 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 175.6 | -68.1 | -18.9 | 0 | 0 | 0 | 111.7 | S268 N271 N275 S277 I282 R283 | S268-N279 PolarHBondContact O-ND2 3.42Å; N271-N279 PolarHBondContact O-ND2 3.49Å; N275-N279 PolarHBondContact O-N 3.44Å; S277-N279 VanDerWaalsContact C-N 3.3Å; S277-N279 PolarHBondContact O-N 2.93Å; N279-I282 PolarHBondContact O-N 3.5Å; N279-R283 WeakPolarHBondContact O-CG 3.33Å; N279-R283 PolarHBondContact O-N 2.94Å; N279-R283 VanDerWaalsContact O-N 3.07Å; N279-R283 PolarHBondContact O-NE 3.1Å |
| 280 | A | 85.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | N276 S277 I282 R283 C284 D342 Q343 S346 | N276-A280 WeakPolarHBondContact O-CB 3.27Å; N276-A280 PolarHBondContact O-N 3.31Å; S277-A280 WeakPolarHBondContact O-CB 3.39Å; S277-A280 PolarHBondContact O-N 3.34Å; A280-I282 VanDerWaalsContact C-N 3.35Å; A280-I282 PolarHBondContact O-N 3.5Å; A280-R283 PolarHBondContact O-N 3.49Å; A280-C284 WeakPolarHBondContact O-CB 3.37Å; A280-C284 PolarHBondContact O-N 3.05Å; A280-D342 HydrophobicContact CB-CB 4.29Å; A280-Q343 HydrophobicContact CB-CB 4.49Å; A280-Q343 HydrophobicContact CB-CG 3.95Å; A280-S346 PolarHBondContact O-OG 2.77Å |
| 281 | I | 88.6 | Confident | 81.2 | Confident | 19 Ų | 19 | 35.9 Ų | 35.9 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 176.5 | -68.1 | 168.4 | 0 | 0 | 0 | 111.3 | A230 R234 S277 A278 C284 G285 D342 | A230-I281 HydrophobicContact CB-CB 4.21Å; A230-I281 HydrophobicContact CB-CG2 3.94Å; R234-I281 HydrophobicContact CB-CG2 3.86Å; R234-I281 HydrophobicContact CG-CG2 4.41Å; S277-I281 VanDerWaalsContact O-CG1 3.31Å; S277-I281 WeakPolarHBondContact O-CG1 3.37Å; S277-I281 PolarHBondContact O-N 2.93Å; A278-I281 PolarHBondContact O-N 2.85Å; I281-C284 WeakPolarHBondContact O-CB 3.22Å; I281-C284 PolarHBondContact O-N 3.23Å; I281-G285 PolarHBondContact O-N 3Å; I281-G285 VanDerWaalsContact O-N 3.11Å; I281-D342 HydrophobicContact CG1-CB 4.18Å |
| 282 | I | 90.1 | Very high | 82.3 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 176.9 | -67.5 | 165.7 | 0 | 0 | 0 | 110.7 | C226 A230 I233 L264 A278 N279 A280 G285 I286 | C226-I282 HydrophobicContact CB-CD1 4.12Å; A230-I282 HydrophobicContact CB-CD1 4.2Å; A230-I282 HydrophobicContact CB-CG1 3.86Å; I233-I282 HydrophobicContact CG2-CG2 4.45Å; L264-I282 HydrophobicContact CB-CG2 4.4Å; A278-I282 WeakPolarHBondContact O-CG1 3.42Å; A278-I282 PolarHBondContact O-N 3.37Å; A278-I282 VanDerWaalsContact O-N 3.07Å; N279-I282 PolarHBondContact O-N 3.5Å; A280-I282 VanDerWaalsContact C-N 3.35Å; A280-I282 PolarHBondContact O-N 3.5Å; I282-G285 WeakPolarHBondContact O-CA 3.46Å; I282-G285 PolarHBondContact O-N 3.49Å; I282-G285 VanDerWaalsContact O-N 3.12Å; I282-I286 HydrophobicContact CG2-CD1 4.31Å; I282-I286 WeakPolarHBondContact O-CG1 3.37Å; I282-I286 PolarHBondContact O-N 3.42Å; I282-I286 VanDerWaalsContact O-N 3.08Å |
| 283 | R | 89.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61 | -44.1 | 177.6 | -72.4 | -178.3 | -64.6 | -138 | -14.4 | 112.1 | L265 S268 N279 A280 G285 I286 Y287 D321 N323 | L265-R283 HydrophobicContact CD1-CG 4.17Å; S268-R283 WeakPolarHBondContact OG-CG 3.49Å; N279-R283 WeakPolarHBondContact O-CG 3.33Å; N279-R283 PolarHBondContact O-N 2.94Å; N279-R283 VanDerWaalsContact O-N 3.07Å; N279-R283 PolarHBondContact O-NE 3.1Å; A280-R283 PolarHBondContact O-N 3.49Å; R283-G285 VanDerWaalsContact C-N 3.25Å; R283-G285 PolarHBondContact O-N 2.91Å; R283-I286 WeakPolarHBondContact O-CA 3.46Å; R283-I286 WeakPolarHBondContact O-CB 3.2Å; R283-I286 PolarHBondContact O-N 2.98Å; R283-Y287 HydrophobicContact CB-CE2 3.91Å; R283-Y287 WeakPolarHBondContact O-CD1 3.37Å; R283-Y287 VanDerWaalsContact O-CD2 3.29Å; R283-Y287 WeakPolarHBondContact O-CD2 3.4Å; R283-Y287 PolarHBondContact O-N 3.46Å; R283-D321 WeakPolarHBondContact CD-OD2 3.42Å; R283-D321 IonicContact CZ-OD1 3.32Å; R283-D321 VanDerWaalsContact CZ-OD1 3.31Å; R283-D321 IonicContact CZ-OD2 2.73Å; R283-D321 IonicContact NE-OD1 2.88Å; R283-D321 IonicContact NE-OD2 2.75Å; R283-D321 PolarHBondContact NE-OD2 2.87Å; R283-D321 IonicContact NH1-OD1 2.98Å; R283-D321 PolarHBondContact NH1-OD1 3.47Å; R283-D321 IonicContact NH1-OD2 3.83Å; R283-N323 PolarHBondContact NH2-ND2 3.12Å; R283-N323 VanDerWaalsContact NH2-ND2 3.19Å |
| 284 | C | 91.7 | Very high | 85.2 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -52.6 | -45 | 172 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | A280 I281 I286 Y287 L288 | A280-C284 WeakPolarHBondContact O-CB 3.37Å; A280-C284 PolarHBondContact O-N 3.05Å; I281-C284 WeakPolarHBondContact O-CB 3.22Å; I281-C284 PolarHBondContact O-N 3.23Å; C284-I286 PolarHBondContact O-N 3.31Å; C284-Y287 PolarHBondContact O-N 3.37Å; C284-L288 WeakPolarHBondContact O-CG 3.4Å; C284-L288 PolarHBondContact O-N 3.14Å |
| 285 | G | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L237 I281 I282 R283 Y287 L288 Y289 | L237-G285 VanDerWaalsContact CB-O 3.29Å; L237-G285 WeakPolarHBondContact CB-O 3.09Å; I281-G285 PolarHBondContact O-N 3Å; I281-G285 VanDerWaalsContact O-N 3.11Å; I282-G285 WeakPolarHBondContact O-CA 3.46Å; I282-G285 PolarHBondContact O-N 3.49Å; I282-G285 VanDerWaalsContact O-N 3.12Å; R283-G285 VanDerWaalsContact C-N 3.25Å; R283-G285 PolarHBondContact O-N 2.91Å; G285-Y287 VanDerWaalsContact C-N 3.33Å; G285-Y287 PolarHBondContact O-N 3.28Å; G285-L288 PolarHBondContact O-N 3.46Å; G285-Y289 WeakPolarHBondContact O-CB 3.39Å; G285-Y289 PolarHBondContact O-N 2.91Å |
| 286 | I | 92.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.7 | -62.8 | 170 | 0 | 0 | 0 | 110.5 | L237 L261 L264 L265 I282 R283 C284 Y289 L290 | L237-I286 HydrophobicContact CD1-CG1 3.83Å; L261-I286 HydrophobicContact CD2-CG1 4.16Å; L261-I286 HydrophobicContact CD2-CG2 4.3Å; L264-I286 HydrophobicContact CB-CD1 4Å; L265-I286 HydrophobicContact CB-CD1 4.09Å; L265-I286 HydrophobicContact CD1-CD1 4.24Å; I282-I286 HydrophobicContact CG2-CD1 4.31Å; I282-I286 WeakPolarHBondContact O-CG1 3.37Å; I282-I286 PolarHBondContact O-N 3.42Å; I282-I286 VanDerWaalsContact O-N 3.08Å; R283-I286 WeakPolarHBondContact O-CA 3.46Å; R283-I286 WeakPolarHBondContact O-CB 3.2Å; R283-I286 PolarHBondContact O-N 2.98Å; C284-I286 PolarHBondContact O-N 3.31Å; I286-Y289 WeakPolarHBondContact O-CB 3.42Å; I286-Y289 PolarHBondContact O-N 3.45Å; I286-L290 HydrophobicContact CG2-CD1 4.21Å; I286-L290 WeakPolarHBondContact O-CG 3.28Å; I286-L290 PolarHBondContact O-N 3.36Å |
| 287 | Y | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.1 | -45 | 178.9 | -54.3 | -29.1 | 0 | 0 | 0 | 111.6 | R283 C284 G285 Y289 L290 I291 L318 D321 S346 T349 F350 L353 | R283-Y287 HydrophobicContact CB-CE2 3.91Å; R283-Y287 WeakPolarHBondContact O-CD1 3.37Å; R283-Y287 VanDerWaalsContact O-CD2 3.29Å; R283-Y287 WeakPolarHBondContact O-CD2 3.4Å; R283-Y287 PolarHBondContact O-N 3.46Å; C284-Y287 PolarHBondContact O-N 3.37Å; G285-Y287 VanDerWaalsContact C-N 3.33Å; G285-Y287 PolarHBondContact O-N 3.28Å; Y287-Y289 VanDerWaalsContact C-N 3.3Å; Y287-Y289 PolarHBondContact O-N 3.45Å; Y287-L290 PolarHBondContact O-N 2.94Å; Y287-I291 VanDerWaalsContact O-CG1 3.27Å; Y287-I291 WeakPolarHBondContact O-CG1 3.39Å; Y287-I291 PolarHBondContact O-N 2.97Å; Y287-L318 HydrophobicContact CD1-CD2 4.07Å; Y287-L318 HydrophobicContact CE1-CD2 3.56Å; Y287-D321 PolarHBondContact OH-OD2 3.33Å; Y287-S346 WeakPolarHBondContact CD2-O 3.02Å; Y287-S346 WeakPolarHBondContact CE2-O 3.34Å; Y287-T349 HydrophobicContact CD2-CG2 4.46Å; Y287-F350 HydrophobicContact CD1-CD2 4.17Å; Y287-F350 HydrophobicContact CD2-CB 3.78Å; Y287-F350 AromaticContact CE1-CD2 3.85Å; Y287-F350 HydrophobicContact CE1-CD2 3.85Å; Y287-F350 HydrophobicContact CE2-CB 3.63Å; Y287-F350 HydrophobicContact CE2-CD2 4.32Å; Y287-F350 HydrophobicContact CE2-CG 4.38Å; Y287-F350 HydrophobicContact CG-CB 4.34Å; Y287-F350 AromaticContact CZ-CD2 3.91Å; Y287-L353 HydrophobicContact CD1-CD2 4.22Å |
| 288 | L | 92.8 | Very high | 88.8 | Confident | 38 Ų | 38 | 16.3 Ų | 16.3 | 20% | 0.199 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.6 | -40.6 | 174.6 | -70.6 | 171.4 | 0 | 0 | 0 | 112.2 | H238 C284 G285 G292 T349 | H238-L288 HydrophobicContact CB-CB 4.35Å; H238-L288 HydrophobicContact CB-CD1 3.98Å; C284-L288 WeakPolarHBondContact O-CG 3.4Å; C284-L288 PolarHBondContact O-N 3.14Å; G285-L288 PolarHBondContact O-N 3.46Å; L288-G292 PolarHBondContact O-N 2.89Å; L288-T349 HydrophobicContact CD2-CG2 3.85Å; L288-T349 HydrophobicContact CG-CG2 3.85Å |
| 289 | Y | 93.2 | Very high | 88.9 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.2 | -57.1 | 172.6 | -175.4 | -92.3 | 0 | 0 | 0 | 110.2 | L237 I240 V252 W257 L261 G285 I286 Y287 I291 G292 F293 | L237-Y289 HydrophobicContact CB-CD2 4.46Å; L237-Y289 HydrophobicContact CD2-CD2 3.85Å; L237-Y289 HydrophobicContact CD2-CE2 4.35Å; L237-Y289 HydrophobicContact CD2-CG 4.28Å; L237-Y289 WeakPolarHBondContact O-CD2 3.37Å; I240-Y289 HydrophobicContact CB-CD2 3.89Å; I240-Y289 HydrophobicContact CB-CE2 3.66Å; I240-Y289 HydrophobicContact CD1-CE2 4.06Å; I240-Y289 HydrophobicContact CG2-CD2 3.99Å; I240-Y289 HydrophobicContact CG2-CE2 3.34Å; V252-Y289 PolarHBondContact O-OH 2.95Å; W257-Y289 HydrophobicContact CE3-CE2 4.17Å; W257-Y289 HydrophobicContact CZ3-CE2 4.3Å; L261-Y289 HydrophobicContact CD1-CD1 3.7Å; L261-Y289 HydrophobicContact CD1-CE1 3.57Å; L261-Y289 HydrophobicContact CD2-CD1 4.31Å; G285-Y289 WeakPolarHBondContact O-CB 3.39Å; G285-Y289 PolarHBondContact O-N 2.91Å; I286-Y289 WeakPolarHBondContact O-CB 3.42Å; I286-Y289 PolarHBondContact O-N 3.45Å; Y287-Y289 VanDerWaalsContact C-N 3.3Å; Y287-Y289 PolarHBondContact O-N 3.45Å; Y289-I291 PolarHBondContact O-N 3.48Å; Y289-G292 PolarHBondContact O-N 3.26Å; Y289-G292 VanDerWaalsContact O-N 3.11Å; Y289-F293 AromaticContact CD1-CD2 3.93Å; Y289-F293 HydrophobicContact CD1-CD2 3.93Å; Y289-F293 AromaticContact CD1-CE2 3.25Å; Y289-F293 HydrophobicContact CD1-CE2 3.25Å; Y289-F293 HydrophobicContact CD1-CZ 4Å; Y289-F293 HydrophobicContact CD2-CE2 4.14Å; Y289-F293 AromaticContact CE1-CD2 3.94Å; Y289-F293 HydrophobicContact CE1-CD2 3.94Å; Y289-F293 HydrophobicContact CE1-CE1 4.33Å; Y289-F293 AromaticContact CE1-CE2 3.01Å; Y289-F293 HydrophobicContact CE1-CE2 3.01Å; Y289-F293 AromaticContact CE1-CZ 3.25Å; Y289-F293 HydrophobicContact CE1-CZ 3.25Å; Y289-F293 AromaticContact CE2-CE2 3.99Å; Y289-F293 HydrophobicContact CE2-CE2 3.99Å; Y289-F293 HydrophobicContact CE2-CZ 4.08Å; Y289-F293 AromaticContact CG-CE2 3.81Å; Y289-F293 HydrophobicContact CG-CE2 3.81Å; Y289-F293 AromaticContact CZ-CE2 3.44Å; Y289-F293 VanDerWaalsContact CZ-CE2 3.44Å; Y289-F293 AromaticContact CZ-CZ 3.31Å; Y289-F293 WeakPolarHBondContact O-CD2 3.35Å; Y289-F293 VanDerWaalsContact O-CE2 3.24Å; Y289-F293 WeakPolarHBondContact O-CE2 3.24Å; Y289-F293 WeakPolarHBondContact OH-CZ 3.31Å |
| 290 | L | 92.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | -177.2 | -67.8 | 176.9 | 0 | 0 | 0 | 113 | I286 Y287 G292 F293 V294 I310 L314 L318 L353 | I286-L290 HydrophobicContact CG2-CD1 4.21Å; I286-L290 WeakPolarHBondContact O-CG 3.28Å; I286-L290 PolarHBondContact O-N 3.36Å; Y287-L290 PolarHBondContact O-N 2.94Å; L290-G292 PolarHBondContact O-N 3.21Å; L290-F293 WeakPolarHBondContact O-CB 3.43Å; L290-F293 PolarHBondContact O-N 3.13Å; L290-V294 VanDerWaalsContact O-CG2 3.3Å; L290-V294 WeakPolarHBondContact O-CG2 3.4Å; L290-V294 PolarHBondContact O-N 3.01Å; L290-I310 HydrophobicContact CD2-CG2 3.82Å; L290-L314 HydrophobicContact CD2-CD1 4.31Å; L290-L318 HydrophobicContact CD1-CD1 4.06Å; L290-L318 HydrophobicContact CD1-CD2 4.3Å; L290-L353 HydrophobicContact CB-CD1 3.67Å; L290-L353 HydrophobicContact CB-CD2 4.07Å; L290-L353 HydrophobicContact CD1-CD2 3.88Å |
| 291 | I | 91.6 | Very high | 88.4 | Confident | 24 Ų | 24 | 25.8 Ų | 25.8 | 12% | 0.123 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.8 | -39.5 | 175.9 | -72.7 | 164.1 | 0 | 0 | 0 | 110.9 | Y287 Y289 F293 V294 N295 T349 T352 L353 | Y287-I291 VanDerWaalsContact O-CG1 3.27Å; Y287-I291 WeakPolarHBondContact O-CG1 3.39Å; Y287-I291 PolarHBondContact O-N 2.97Å; Y289-I291 PolarHBondContact O-N 3.48Å; I291-F293 PolarHBondContact O-N 2.95Å; I291-V294 PolarHBondContact O-N 2.85Å; I291-N295 WeakPolarHBondContact CG2-ND2 3.48Å; I291-N295 WeakPolarHBondContact O-CB 3.45Å; I291-N295 PolarHBondContact O-N 3.42Å; I291-T349 HydrophobicContact CD1-CG2 4.09Å; I291-T352 HydrophobicContact CD1-CG2 3.93Å; I291-L353 HydrophobicContact CD1-CB 4.24Å; I291-L353 HydrophobicContact CG1-CB 3.86Å; I291-L353 HydrophobicContact CG1-CD1 3.92Å |
| 292 | G | 86.8 | Confident | 88.2 | Confident | 9 Ų | 9 | 28.2 Ų | 28.2 | 9% | 0.093 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.1 | -45.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | G241 L288 Y289 L290 N295 K296 | G241-G292 WeakPolarHBondContact O-CA 3.07Å; L288-G292 PolarHBondContact O-N 2.89Å; Y289-G292 PolarHBondContact O-N 3.26Å; Y289-G292 VanDerWaalsContact O-N 3.11Å; L290-G292 PolarHBondContact O-N 3.21Å; G292-N295 PolarHBondContact O-N 2.9Å; G292-K296 PolarHBondContact O-N 3.49Å; G292-K296 VanDerWaalsContact O-N 3.17Å |
| 293 | F | 86.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.7 | -41.3 | 178 | -62 | -96.3 | 0 | 0 | 0 | 111.6 | A244 L249 V252 A253 Y289 L290 I291 N295 K296 K303 L306 I310 | A244-F293 HydrophobicContact CB-CD2 4.42Å; A244-F293 HydrophobicContact CB-CE1 4.4Å; A244-F293 HydrophobicContact CB-CE2 4.13Å; A244-F293 HydrophobicContact CB-CZ 4.14Å; L249-F293 HydrophobicContact CD2-CD1 3.47Å; L249-F293 VanDerWaalsContact CD2-CD1 3.47Å; L249-F293 HydrophobicContact CD2-CE1 3.96Å; V252-F293 HydrophobicContact CB-CE1 3.85Å; V252-F293 HydrophobicContact CB-CZ 3.73Å; V252-F293 HydrophobicContact CG2-CE1 3.44Å; V252-F293 VanDerWaalsContact CG2-CE1 3.44Å; V252-F293 HydrophobicContact CG2-CZ 3.75Å; A253-F293 HydrophobicContact CB-CD1 4.02Å; A253-F293 HydrophobicContact CB-CE1 3.79Å; Y289-F293 AromaticContact CD1-CD2 3.93Å; Y289-F293 HydrophobicContact CD1-CD2 3.93Å; Y289-F293 AromaticContact CD1-CE2 3.25Å; Y289-F293 HydrophobicContact CD1-CE2 3.25Å; Y289-F293 HydrophobicContact CD1-CZ 4Å; Y289-F293 HydrophobicContact CD2-CE2 4.14Å; Y289-F293 AromaticContact CE1-CD2 3.94Å; Y289-F293 HydrophobicContact CE1-CD2 3.94Å; Y289-F293 HydrophobicContact CE1-CE1 4.33Å; Y289-F293 AromaticContact CE1-CE2 3.01Å; Y289-F293 HydrophobicContact CE1-CE2 3.01Å; Y289-F293 AromaticContact CE1-CZ 3.25Å; Y289-F293 HydrophobicContact CE1-CZ 3.25Å; Y289-F293 AromaticContact CE2-CE2 3.99Å; Y289-F293 HydrophobicContact CE2-CE2 3.99Å; Y289-F293 HydrophobicContact CE2-CZ 4.08Å; Y289-F293 AromaticContact CG-CE2 3.81Å; Y289-F293 HydrophobicContact CG-CE2 3.81Å; Y289-F293 AromaticContact CZ-CE2 3.44Å; Y289-F293 VanDerWaalsContact CZ-CE2 3.44Å; Y289-F293 AromaticContact CZ-CZ 3.31Å; Y289-F293 WeakPolarHBondContact O-CD2 3.35Å; Y289-F293 VanDerWaalsContact O-CE2 3.24Å; Y289-F293 WeakPolarHBondContact O-CE2 3.24Å; Y289-F293 WeakPolarHBondContact OH-CZ 3.31Å; L290-F293 WeakPolarHBondContact O-CB 3.43Å; L290-F293 PolarHBondContact O-N 3.13Å; I291-F293 PolarHBondContact O-N 2.95Å; F293-N295 PolarHBondContact O-N 2.79Å; F293-K296 PolarHBondContact O-N 2.94Å; F293-K303 PolarHBondContact O-NZ 3.34Å; F293-L306 HydrophobicContact CB-CD2 4.35Å; F293-I310 HydrophobicContact CB-CD1 4.25Å |
| 294 | V | 88.3 | Confident | 87.9 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.6 | -29.3 | 177.8 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | L290 I291 K303 L307 L353 A356 M357 Q360 | L290-V294 VanDerWaalsContact O-CG2 3.3Å; L290-V294 WeakPolarHBondContact O-CG2 3.4Å; L290-V294 PolarHBondContact O-N 3.01Å; I291-V294 PolarHBondContact O-N 2.85Å; V294-K303 WeakPolarHBondContact O-CE 3.29Å; V294-K303 PolarHBondContact O-NZ 3.2Å; V294-L307 HydrophobicContact CB-CD2 4.28Å; V294-L307 HydrophobicContact CG1-CD2 4.14Å; V294-L307 HydrophobicContact CG2-CD2 3.73Å; V294-L353 HydrophobicContact CG2-CD1 3.89Å; V294-A356 VanDerWaalsContact CG1-C 3.41Å; V294-A356 HydrophobicContact CG1-CB 3.7Å; V294-M357 HydrophobicContact CB-CG 4.38Å; V294-M357 HydrophobicContact CG1-CB 4.37Å; V294-M357 HydrophobicContact CG1-CG 3.86Å; V294-M357 HydrophobicContact CG2-CG 3.54Å; V294-M357 HydrophobicContact CG2-SD 4.44Å; V294-Q360 HydrophobicContact CG1-CG 3.93Å; V294-Q360 VanDerWaalsContact O-CG 3.3Å; V294-Q360 WeakPolarHBondContact O-CG 3.32Å |
| 295 | N | 87.2 | Confident | 87.6 | Confident | 77 Ų | 77 | 35.3 Ų | 35.3 | 41% | 0.412 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -93.9 | -6.9 | 178 | -72.3 | -27.3 | 0 | 0 | 0 | 114.7 | I291 G292 F293 G297 | I291-N295 WeakPolarHBondContact CG2-ND2 3.48Å; I291-N295 WeakPolarHBondContact O-CB 3.45Å; I291-N295 PolarHBondContact O-N 3.42Å; G292-N295 PolarHBondContact O-N 2.9Å; F293-N295 PolarHBondContact O-N 2.79Å; N295-G297 PolarHBondContact O-N 2.88Å |
| 296 | K | 86.6 | Confident | 87.4 | Confident | 29 Ų | 29 | 36.7 Ų | 36.7 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | trans | -60.8 | 130 | 177.7 | -175.4 | 178.6 | -176 | 167.5 | 0 | 112.3 | A244 V247 L249 G292 F293 M298 K303 | A244-K296 VanDerWaalsContact O-CD 3.31Å; A244-K296 WeakPolarHBondContact O-CD 3.43Å; V247-K296 PolarHBondContact O-NZ 3.41Å; L249-K296 HydrophobicContact CD1-CD 3.81Å; L249-K296 HydrophobicContact CD2-CD 3.84Å; L249-K296 HydrophobicContact CG-CD 3.57Å; G292-K296 PolarHBondContact O-N 3.49Å; G292-K296 VanDerWaalsContact O-N 3.17Å; F293-K296 PolarHBondContact O-N 2.94Å; K296-M298 HydrophobicContact CB-CE 3.65Å; K296-M298 HydrophobicContact CD-CE 3.87Å; K296-M298 HydrophobicContact CG-CE 3.78Å; K296-M298 WeakPolarHBondContact O-CE 3.3Å; K296-M298 PolarHBondContact O-N 2.89Å; K296-K303 PolarHBondContact O-NZ 3.27Å | ||
| 297 | G | 83 | Confident | 87.2 | Confident | 54 Ų | 54 | 36.7 Ų | 36.7 | 56% | 0.557 | 19% | 0.192 | S | C | * | . | trans | -71.4 | 124.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N295 | N295-G297 PolarHBondContact O-N 2.88Š| ||
| 298 | M | 84.4 | Confident | 86.8 | Confident | 54 Ų | 54 | 37.7 Ų | 37.7 | 27% | 0.266 | 20% | 0.198 | S | C | . | . | trans | -154.8 | 174.8 | 175.8 | 66.2 | -165.8 | 73.3 | 0 | 0 | 110.4 | L249 K296 D302 K303 L306 | L249-M298 HydrophobicContact CD1-CE 3.7Å; L249-M298 HydrophobicContact CD1-SD 4.12Å; K296-M298 HydrophobicContact CB-CE 3.65Å; K296-M298 HydrophobicContact CD-CE 3.87Å; K296-M298 HydrophobicContact CG-CE 3.78Å; K296-M298 WeakPolarHBondContact O-CE 3.3Å; K296-M298 PolarHBondContact O-N 2.89Å; M298-D302 HydrophobicContact CG-CB 4.42Å; M298-D302 HydrophobicContact SD-CB 4.34Å; M298-K303 HydrophobicContact CE-CD 3.87Å; M298-K303 HydrophobicContact CG-CB 3.71Å; M298-K303 HydrophobicContact CG-CD 3.78Å; M298-K303 HydrophobicContact CG-CG 4.33Å; M298-K303 VanDerWaalsContact SD-CA 3.53Å; M298-K303 HydrophobicContact SD-CB 4.04Å; M298-K303 HydrophobicContact SD-CD 3.66Å; M298-L306 HydrophobicContact CE-CD2 3.57Å; M298-L306 HydrophobicContact SD-CB 4.47Å; M298-L306 HydrophobicContact SD-CD2 3.87Å | ||
| 299 | Q | 83.7 | Confident | 86.5 | Confident | 142 Ų | 142 | 36.8 Ų | 36.8 | 66% | 0.664 | 20% | 0.199 | S | C | * | . | trans | -63.8 | 146.5 | 174.8 | -58.8 | -172 | 15 | 0 | 0 | 110.5 | I301 D302 K303 | Q299-I301 VanDerWaalsContact C-N 3.27Å; Q299-I301 PolarHBondContact O-N 3.44Å; Q299-D302 PolarHBondContact O-N 2.63Å; Q299-D302 VanDerWaalsContact O-N 3.14Å; Q299-K303 PolarHBondContact O-N 2.65Å | ||
| 300 | V | 81.2 | Confident | 86.2 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.2 | -41.8 | -173.4 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | K303 L304 F363 V364 Y367 | V300-K303 WeakPolarHBondContact O-CB 3.09Å; V300-K303 PolarHBondContact O-N 3.16Å; V300-L304 PolarHBondContact O-N 3.39Å; V300-F363 HydrophobicContact CG2-CE1 4.41Å; V300-V364 HydrophobicContact CG1-CB 3.98Å; V300-V364 HydrophobicContact CG1-CG1 3.68Å; V300-V364 HydrophobicContact CG1-CG2 3.93Å; V300-Y367 HydrophobicContact CB-CD1 4.22Å; V300-Y367 HydrophobicContact CG1-CD1 4.33Å; V300-Y367 HydrophobicContact CG2-CD1 3.66Å; V300-Y367 HydrophobicContact CG2-CD2 4.4Å; V300-Y367 HydrophobicContact CG2-CE1 4.15Å; V300-Y367 HydrophobicContact CG2-CG 3.78Å |
| 301 | I | 80.6 | Confident | 85.9 | Confident | 46 Ų | 46 | 38.5 Ų | 38.5 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.6 | -40.9 | -179.1 | -168.9 | 62.3 | 0 | 0 | 0 | 112.8 | Q299 K303 L304 R305 F392 | Q299-I301 VanDerWaalsContact C-N 3.27Å; Q299-I301 PolarHBondContact O-N 3.44Å; I301-K303 VanDerWaalsContact C-N 3.29Å; I301-L304 PolarHBondContact O-N 3.03Å; I301-R305 WeakPolarHBondContact O-CG 3.41Å; I301-R305 PolarHBondContact O-N 3.02Å; I301-R305 VanDerWaalsContact O-N 3.09Å; I301-F392 HydrophobicContact CD1-CD1 3.58Å; I301-F392 HydrophobicContact CD1-CD2 3.86Å; I301-F392 HydrophobicContact CD1-CE1 3.63Å; I301-F392 HydrophobicContact CD1-CE2 3.88Å; I301-F392 HydrophobicContact CD1-CG 3.71Å; I301-F392 HydrophobicContact CD1-CZ 3.78Å |
| 302 | D | 84.7 | Confident | 85.6 | Confident | 71 Ų | 71 | 44.4 Ų | 44.4 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.7 | -35.8 | 177.4 | -60.3 | -37.3 | 0 | 0 | 0 | 110.1 | M298 Q299 R305 L306 | M298-D302 HydrophobicContact CG-CB 4.42Å; M298-D302 HydrophobicContact SD-CB 4.34Å; Q299-D302 PolarHBondContact O-N 2.63Å; Q299-D302 VanDerWaalsContact O-N 3.14Å; D302-R305 PolarHBondContact O-N 3.33Å; D302-L306 WeakPolarHBondContact O-CB 3.48Å; D302-L306 PolarHBondContact O-N 3.14Å |
| 303 | K | 87 | Confident | 85.5 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 174.4 | -167.5 | 61.2 | 161.1 | -167 | 0 | 111.5 | F293 V294 K296 M298 Q299 V300 I301 L306 L307 | F293-K303 PolarHBondContact O-NZ 3.34Å; V294-K303 WeakPolarHBondContact O-CE 3.29Å; V294-K303 PolarHBondContact O-NZ 3.2Å; K296-K303 PolarHBondContact O-NZ 3.27Å; M298-K303 HydrophobicContact CE-CD 3.87Å; M298-K303 HydrophobicContact CG-CB 3.71Å; M298-K303 HydrophobicContact CG-CD 3.78Å; M298-K303 HydrophobicContact CG-CG 4.33Å; M298-K303 VanDerWaalsContact SD-CA 3.53Å; M298-K303 HydrophobicContact SD-CB 4.04Å; M298-K303 HydrophobicContact SD-CD 3.66Å; Q299-K303 PolarHBondContact O-N 2.65Å; V300-K303 WeakPolarHBondContact O-CB 3.09Å; V300-K303 PolarHBondContact O-N 3.16Å; I301-K303 VanDerWaalsContact C-N 3.29Å; K303-L306 PolarHBondContact O-N 2.86Å; K303-L307 HydrophobicContact CG-CD1 4.15Å; K303-L307 VanDerWaalsContact O-CG 3.27Å; K303-L307 WeakPolarHBondContact O-CG 3.4Å; K303-L307 PolarHBondContact O-N 3.11Å |
| 304 | L | 86 | Confident | 85.5 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 177.9 | -178.9 | 63 | 0 | 0 | 0 | 110.9 | V300 I301 L306 L307 T308 L361 V364 F392 A396 | V300-L304 PolarHBondContact O-N 3.39Å; I301-L304 PolarHBondContact O-N 3.03Å; L304-L306 VanDerWaalsContact C-N 3.29Å; L304-L306 PolarHBondContact O-N 3.18Å; L304-L307 PolarHBondContact O-N 2.95Å; L304-T308 HydrophobicContact CD1-CG2 4.02Å; L304-T308 HydrophobicContact CG-CG2 4.41Å; L304-T308 WeakPolarHBondContact O-CG2 3.33Å; L304-T308 PolarHBondContact O-N 3.25Å; L304-T308 PolarHBondContact O-OG1 3.21Å; L304-T308 VanDerWaalsContact O-OG1 3.1Å; L304-L361 HydrophobicContact CD1-CD2 3.92Å; L304-V364 HydrophobicContact CB-CG1 4.4Å; L304-V364 HydrophobicContact CD1-CG1 4.48Å; L304-F392 HydrophobicContact CD2-CB 4.21Å; L304-F392 HydrophobicContact CD2-CD1 4.49Å; L304-A396 HydrophobicContact CD1-CB 3.81Å; L304-A396 HydrophobicContact CD2-CB 4.06Å |
| 305 | R | 85.8 | Confident | 85.2 | Confident | 145 Ų | 145 | 48.9 Ų | 48.9 | 55% | 0.547 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 178.2 | -72.1 | 174.7 | 178.8 | 168.3 | -1.2 | 112.9 | I301 D302 T308 G309 | I301-R305 WeakPolarHBondContact O-CG 3.41Å; I301-R305 PolarHBondContact O-N 3.02Å; I301-R305 VanDerWaalsContact O-N 3.09Å; D302-R305 PolarHBondContact O-N 3.33Å; R305-T308 PolarHBondContact O-OG1 2.82Å; R305-G309 PolarHBondContact O-N 3.35Å |
| 306 | L | 86.8 | Confident | 84.9 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -48.3 | 176.8 | -178.2 | 67.8 | 0 | 0 | 0 | 111.2 | L249 A253 F293 M298 D302 K303 L304 I310 | L249-L306 HydrophobicContact CD1-CD2 4.18Å; L249-L306 HydrophobicContact CD2-CD2 4.17Å; A253-L306 HydrophobicContact CB-CD1 4.39Å; F293-L306 HydrophobicContact CB-CD2 4.35Å; M298-L306 HydrophobicContact CE-CD2 3.57Å; M298-L306 HydrophobicContact SD-CB 4.47Å; M298-L306 HydrophobicContact SD-CD2 3.87Å; D302-L306 WeakPolarHBondContact O-CB 3.48Å; D302-L306 PolarHBondContact O-N 3.14Å; K303-L306 PolarHBondContact O-N 2.86Å; L304-L306 VanDerWaalsContact C-N 3.29Å; L304-L306 PolarHBondContact O-N 3.18Å; L306-I310 HydrophobicContact CD1-CD1 3.75Å; L306-I310 HydrophobicContact CD1-CG1 4.23Å; L306-I310 HydrophobicContact CG-CD1 3.81Å; L306-I310 WeakPolarHBondContact O-CB 3.47Å; L306-I310 VanDerWaalsContact O-CG1 3.22Å; L306-I310 WeakPolarHBondContact O-CG1 3.12Å; L306-I310 PolarHBondContact O-N 2.99Å |
| 307 | L | 88 | Confident | 84.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | -177.9 | -67.3 | 177.1 | 0 | 0 | 0 | 112.6 | V294 K303 L304 W311 M357 Q360 L361 | V294-L307 HydrophobicContact CB-CD2 4.28Å; V294-L307 HydrophobicContact CG1-CD2 4.14Å; V294-L307 HydrophobicContact CG2-CD2 3.73Å; K303-L307 HydrophobicContact CG-CD1 4.15Å; K303-L307 VanDerWaalsContact O-CG 3.27Å; K303-L307 WeakPolarHBondContact O-CG 3.4Å; K303-L307 PolarHBondContact O-N 3.11Å; L304-L307 PolarHBondContact O-N 2.95Å; L307-W311 WeakPolarHBondContact O-CB 3.35Å; L307-W311 PolarHBondContact O-N 3.44Å; L307-M357 HydrophobicContact CD2-CE 4.2Å; L307-M357 HydrophobicContact CD2-CG 4.3Å; L307-Q360 HydrophobicContact CD1-CB 3.89Å; L307-L361 HydrophobicContact CB-CD2 4.4Å; L307-L361 HydrophobicContact CD1-CD2 3.9Å; L307-L361 HydrophobicContact CD1-CG 4Å |
| 308 | T | 86.3 | Confident | 84.7 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.6 | -46.4 | 175.7 | 58.5 | 0 | 0 | 0 | 0 | 110.7 | L304 R305 I310 W311 E312 I395 A399 | L304-T308 HydrophobicContact CD1-CG2 4.02Å; L304-T308 HydrophobicContact CG-CG2 4.41Å; L304-T308 WeakPolarHBondContact O-CG2 3.33Å; L304-T308 PolarHBondContact O-N 3.25Å; L304-T308 PolarHBondContact O-OG1 3.21Å; L304-T308 VanDerWaalsContact O-OG1 3.1Å; R305-T308 PolarHBondContact O-OG1 2.82Å; T308-I310 PolarHBondContact O-N 2.91Å; T308-W311 PolarHBondContact O-N 2.94Å; T308-E312 WeakPolarHBondContact O-CB 3.32Å; T308-E312 WeakPolarHBondContact O-CG 3.2Å; T308-E312 PolarHBondContact O-N 3.33Å; T308-I395 HydrophobicContact CG2-CG2 4.21Å; T308-A399 HydrophobicContact CG2-CB 4.22Å |
| 309 | G | 86.5 | Confident | 84.4 | Confident | 20 Ų | 20 | 46 Ų | 46 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -42.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R305 W311 Q313 | R305-G309 PolarHBondContact O-N 3.35Å; G309-W311 VanDerWaalsContact C-N 3.31Å; G309-W311 PolarHBondContact O-N 3.25Å; G309-Q313 WeakPolarHBondContact O-CG 3.45Å; G309-Q313 PolarHBondContact O-N 3.35Å |
| 310 | I | 85.5 | Confident | 84 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.9 | -72.6 | 171.4 | 0 | 0 | 0 | 110.5 | L290 F293 L306 T308 Q313 L314 | L290-I310 HydrophobicContact CD2-CG2 3.82Å; F293-I310 HydrophobicContact CB-CD1 4.25Å; L306-I310 HydrophobicContact CD1-CD1 3.75Å; L306-I310 HydrophobicContact CD1-CG1 4.23Å; L306-I310 HydrophobicContact CG-CD1 3.81Å; L306-I310 WeakPolarHBondContact O-CB 3.47Å; L306-I310 VanDerWaalsContact O-CG1 3.22Å; L306-I310 WeakPolarHBondContact O-CG1 3.12Å; L306-I310 PolarHBondContact O-N 2.99Å; T308-I310 PolarHBondContact O-N 2.91Å; I310-Q313 PolarHBondContact O-N 3.48Å; I310-L314 WeakPolarHBondContact O-CB 3.39Å; I310-L314 PolarHBondContact O-N 2.86Å |
| 311 | W | 87.1 | Confident | 83.5 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.1 | -35 | -177.3 | -170.5 | -94.1 | 0 | 0 | 0 | 113.8 | L307 T308 G309 Q313 G315 I319 I354 M357 R403 V406 | L307-W311 WeakPolarHBondContact O-CB 3.35Å; L307-W311 PolarHBondContact O-N 3.44Å; T308-W311 PolarHBondContact O-N 2.94Å; G309-W311 VanDerWaalsContact C-N 3.31Å; G309-W311 PolarHBondContact O-N 3.25Å; W311-Q313 PolarHBondContact O-N 2.86Å; W311-G315 WeakPolarHBondContact O-CA 3.3Å; W311-G315 PolarHBondContact O-N 3.1Å; W311-I319 HydrophobicContact CH2-CD1 4.33Å; W311-I319 HydrophobicContact CZ2-CD1 3.82Å; W311-I354 HydrophobicContact CH2-CD1 3.68Å; W311-I354 HydrophobicContact CZ3-CD1 3.69Å; W311-M357 HydrophobicContact CB-CE 4.49Å; W311-M357 HydrophobicContact CE3-CE 3.8Å; W311-M357 HydrophobicContact CE3-SD 4.04Å; W311-M357 HydrophobicContact CZ3-CE 4.43Å; W311-M357 HydrophobicContact CZ3-SD 4.12Å; W311-R403 VanDerWaalsContact CD2-CZ 3.4Å; W311-R403 VanDerWaalsContact CE2-CZ 3.47Å; W311-R403 HydrophobicContact CH2-CG 4.18Å; W311-R403 HydrophobicContact CZ2-CG 4.45Å; W311-R403 HydrophobicContact CZ3-CG 4.33Å; W311-V406 HydrophobicContact CH2-CG2 4.44Å |
| 312 | E | 86 | Confident | 82.9 | Confident | 149 Ų | 149 | 41.8 Ų | 41.8 | 70% | 0.696 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.5 | -36.8 | 172.7 | -76.5 | 169.8 | -161.3 | 0 | 0 | 111.2 | T308 | T308-E312 WeakPolarHBondContact O-CB 3.32Å; T308-E312 WeakPolarHBondContact O-CG 3.2Å; T308-E312 PolarHBondContact O-N 3.33Å |
| 313 | Q | 84.1 | Confident | 82.1 | Confident | 105 Ų | 105 | 39.4 Ų | 39.4 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -86.6 | -38 | -176.8 | -65.8 | -178.5 | 12.7 | 0 | 0 | 113.7 | I258 G309 I310 W311 | I258-Q313 HydrophobicContact CG2-CB 4.09Å; G309-Q313 WeakPolarHBondContact O-CG 3.45Å; G309-Q313 PolarHBondContact O-N 3.35Å; I310-Q313 PolarHBondContact O-N 3.48Å; W311-Q313 PolarHBondContact O-N 2.86Å |
| 314 | L | 86.5 | Confident | 81.2 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -114.8 | -20.9 | -173.8 | -61.4 | 177.5 | 0 | 0 | 0 | 113.9 | I258 L261 L290 I310 S316 M317 L318 | I258-L314 HydrophobicContact CG2-CD1 4.38Å; I258-L314 HydrophobicContact CG2-CD2 4.15Å; I258-L314 HydrophobicContact CG2-CG 4.19Å; L261-L314 HydrophobicContact CB-CD1 4.37Å; L261-L314 HydrophobicContact CD1-CD1 4.29Å; L290-L314 HydrophobicContact CD2-CD1 4.31Å; I310-L314 WeakPolarHBondContact O-CB 3.39Å; I310-L314 PolarHBondContact O-N 2.86Å; L314-S316 PolarHBondContact O-N 3.39Å; L314-M317 WeakPolarHBondContact O-CB 3.38Å; L314-M317 PolarHBondContact O-N 3.39Å; L314-L318 HydrophobicContact CB-CD1 4.07Å; L314-L318 HydrophobicContact CB-CG 4.27Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.48Å; L314-L318 PolarHBondContact O-N 3.29Å |
| 315 | G | 82.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -44.1 | -169 | 0 | 0 | 0 | 0 | 0 | 114.4 | W311 M317 L318 I319 | W311-G315 WeakPolarHBondContact O-CA 3.3Å; W311-G315 PolarHBondContact O-N 3.1Å; G315-M317 VanDerWaalsContact C-N 3.29Å; G315-M317 PolarHBondContact O-N 3Å; G315-L318 PolarHBondContact O-N 2.98Å; G315-I319 VanDerWaalsContact O-CG1 3.31Å; G315-I319 WeakPolarHBondContact O-CG1 3.2Å; G315-I319 PolarHBondContact O-N 3.41Å |
| 316 | S | 81.7 | Confident | 79.1 | Confident | 74 Ų | 74 | 37.8 Ų | 37.8 | 52% | 0.517 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62 | -38.1 | 176.9 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | L314 N320 | L314-S316 PolarHBondContact O-N 3.39Å; S316-N320 WeakPolarHBondContact O-CB 3.38Å; S316-N320 PolarHBondContact O-N 3.42Å; S316-N320 VanDerWaalsContact O-N 3.09Å; S316-N320 PolarHBondContact O-ND2 3.03Å; S316-N320 VanDerWaalsContact O-ND2 3.1Å |
| 317 | M | 81.2 | Confident | 78 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 15% | 0.153 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74 | -36.7 | 178.5 | -60.6 | 176.6 | 59.3 | 0 | 0 | 112.2 | S262 L265 Q266 I269 L314 G315 I319 N320 | S262-M317 VanDerWaalsContact O-CE 3.27Å; S262-M317 WeakPolarHBondContact O-CE 3.39Å; L265-M317 HydrophobicContact CB-CE 3.96Å; L265-M317 HydrophobicContact CD2-CB 3.41Å; L265-M317 VanDerWaalsContact CD2-CB 3.41Å; L265-M317 HydrophobicContact CD2-CE 4.1Å; L265-M317 HydrophobicContact CG-CB 4.13Å; L265-M317 HydrophobicContact CG-CE 4.11Å; Q266-M317 HydrophobicContact CB-CE 4.47Å; Q266-M317 HydrophobicContact CG-CE 3.49Å; Q266-M317 VanDerWaalsContact CG-CE 3.49Å; I269-M317 WeakPolarHBondContact CD1-O 3.46Å; L314-M317 WeakPolarHBondContact O-CB 3.38Å; L314-M317 PolarHBondContact O-N 3.39Å; G315-M317 VanDerWaalsContact C-N 3.29Å; G315-M317 PolarHBondContact O-N 3Å; M317-I319 VanDerWaalsContact C-N 3.33Å; M317-N320 PolarHBondContact O-N 2.88Å |
| 318 | L | 82.5 | Confident | 76.9 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 176.1 | -65.4 | 169.2 | 0 | 0 | 0 | 110.9 | L265 Y287 L290 L314 G315 D321 F350 | L265-L318 HydrophobicContact CD2-CD2 3.81Å; L265-L318 HydrophobicContact CD2-CG 4.13Å; Y287-L318 HydrophobicContact CD1-CD2 4.07Å; Y287-L318 HydrophobicContact CE1-CD2 3.56Å; L290-L318 HydrophobicContact CD1-CD1 4.06Å; L290-L318 HydrophobicContact CD1-CD2 4.3Å; L314-L318 HydrophobicContact CB-CD1 4.07Å; L314-L318 HydrophobicContact CB-CG 4.27Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.48Å; L314-L318 PolarHBondContact O-N 3.29Å; G315-L318 PolarHBondContact O-N 2.98Å; L318-D321 WeakPolarHBondContact O-CB 3.47Å; L318-F350 HydrophobicContact CB-CE2 4.11Å |
| 319 | I | 79.7 | Confident | 75.6 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.4 | -34.8 | 177.5 | -68.8 | 168.8 | 0 | 0 | 0 | 111.9 | W311 G315 M317 D321 M328 V406 | W311-I319 HydrophobicContact CH2-CD1 4.33Å; W311-I319 HydrophobicContact CZ2-CD1 3.82Å; G315-I319 VanDerWaalsContact O-CG1 3.31Å; G315-I319 WeakPolarHBondContact O-CG1 3.2Å; G315-I319 PolarHBondContact O-N 3.41Å; M317-I319 VanDerWaalsContact C-N 3.33Å; I319-D321 PolarHBondContact O-N 3.26Å; I319-M328 HydrophobicContact CG2-SD 3.71Å; I319-V406 HydrophobicContact CD1-CG2 4.49Å |
| 320 | N | 74.3 | Confident | 73.9 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 2.5 | -179.7 | -72.9 | -19.2 | 0 | 0 | 0 | 114.3 | S316 M317 | S316-N320 WeakPolarHBondContact O-CB 3.38Å; S316-N320 PolarHBondContact O-N 3.42Å; S316-N320 VanDerWaalsContact O-N 3.09Å; S316-N320 PolarHBondContact O-ND2 3.03Å; S316-N320 VanDerWaalsContact O-ND2 3.1Å; M317-N320 PolarHBondContact O-N 2.88Å |
| 321 | D | 71.2 | Confident | 72.2 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.011 | 30% | 0.298 | C | S | . | . | trans | -49.4 | 126.6 | 171.3 | 174.9 | -13.1 | 0 | 0 | 0 | 109.6 | R283 Y287 L318 I319 N323 I324 S325 | R283-D321 WeakPolarHBondContact CD-OD2 3.42Å; R283-D321 IonicContact CZ-OD1 3.32Å; R283-D321 VanDerWaalsContact CZ-OD1 3.31Å; R283-D321 IonicContact CZ-OD2 2.73Å; R283-D321 IonicContact NE-OD1 2.88Å; R283-D321 IonicContact NE-OD2 2.75Å; R283-D321 PolarHBondContact NE-OD2 2.87Å; R283-D321 IonicContact NH1-OD1 2.98Å; R283-D321 PolarHBondContact NH1-OD1 3.47Å; R283-D321 IonicContact NH1-OD2 3.83Å; Y287-D321 PolarHBondContact OH-OD2 3.33Å; L318-D321 WeakPolarHBondContact O-CB 3.47Å; I319-D321 PolarHBondContact O-N 3.26Å; D321-N323 PolarHBondContact O-N 3.45Å; D321-N323 VanDerWaalsContact O-N 3.14Å; D321-N323 PolarHBondContact OD1-N 3.25Å; D321-I324 HydrophobicContact CB-CB 3.96Å; D321-I324 HydrophobicContact CB-CD1 3.77Å; D321-I324 HydrophobicContact CB-CG1 3.88Å; D321-I324 CarbonylContact O-C 3.57Å; D321-I324 WeakPolarHBondContact O-CA 3.43Å; D321-I324 PolarHBondContact O-N 3.24Å; D321-S325 WeakPolarHBondContact O-CB 3.11Å; D321-S325 PolarHBondContact O-N 3.05Å; D321-S325 PolarHBondContact O-OG 2.96Å | ||
| 322 | P | 67.7 | Low | 70.2 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.1 | -31.9 | -178.3 | 17.7 | -31 | 0 | 0 | 0 | 114 | I324 S325 N326 | P322-I324 VanDerWaalsContact C-N 3.33Å; P322-S325 WeakPolarHBondContact CA-OG 3.48Å; P322-N326 WeakPolarHBondContact O-CB 3.27Å; P322-N326 PolarHBondContact O-N 3.33Å; P322-N326 PolarHBondContact O-ND2 2.99Å |
| 323 | N | 67.7 | Low | 67.9 | Low | 22 Ų | 22 | 56.6 Ų | 56.6 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.7 | -31.8 | 176.2 | -63.2 | -32.1 | 0 | 0 | 0 | 111.8 | R283 D321 Q343 | R283-N323 PolarHBondContact NH2-ND2 3.12Å; R283-N323 VanDerWaalsContact NH2-ND2 3.19Å; D321-N323 PolarHBondContact O-N 3.45Å; D321-N323 VanDerWaalsContact O-N 3.14Å; D321-N323 PolarHBondContact OD1-N 3.25Å; N323-Q343 PolarHBondContact OD1-NE2 3.25Å |
| 324 | I | 69.3 | Low | 66.1 | Low | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -87.3 | -48.3 | -177.4 | -61.3 | 177.5 | 0 | 0 | 0 | 110.5 | D321 P322 F327 M328 L347 F350 | D321-I324 HydrophobicContact CB-CB 3.96Å; D321-I324 HydrophobicContact CB-CD1 3.77Å; D321-I324 HydrophobicContact CB-CG1 3.88Å; D321-I324 CarbonylContact O-C 3.57Å; D321-I324 WeakPolarHBondContact O-CA 3.43Å; D321-I324 PolarHBondContact O-N 3.24Å; P322-I324 VanDerWaalsContact C-N 3.33Å; I324-F327 CarbonylContact O-C 3.11Å; I324-F327 WeakPolarHBondContact O-CB 3.46Å; I324-F327 PolarHBondContact O-N 2.92Å; I324-M328 HydrophobicContact CG2-CE 3.27Å; I324-M328 HydrophobicContact CG2-CG 4.05Å; I324-M328 HydrophobicContact CG2-SD 3.7Å; I324-M328 WeakPolarHBondContact O-CB 3.45Å; I324-M328 VanDerWaalsContact O-CG 3.29Å; I324-M328 WeakPolarHBondContact O-CG 3.29Å; I324-M328 PolarHBondContact O-N 3.45Å; I324-L347 HydrophobicContact CD1-CD1 4.41Å; I324-L347 HydrophobicContact CG1-CD1 3.86Å; I324-F350 HydrophobicContact CD1-CB 4.27Å; I324-F350 HydrophobicContact CD1-CD1 3.49Å; I324-F350 VanDerWaalsContact CD1-CD1 3.49Å; I324-F350 HydrophobicContact CD1-CD2 3.95Å; I324-F350 HydrophobicContact CD1-CE1 3.7Å; I324-F350 HydrophobicContact CD1-CE2 4.15Å; I324-F350 HydrophobicContact CD1-CG 3.62Å; I324-F350 HydrophobicContact CD1-CZ 4.01Å; I324-F350 HydrophobicContact CG1-CD1 4.43Å; I324-F350 HydrophobicContact CG2-CE1 4.38Å |
| 325 | S | 64.4 | Low | 64.1 | Low | 26 Ų | 26 | 61.9 Ų | 61.9 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | -177.6 | 59.6 | 0 | 0 | 0 | 0 | 112.7 | D321 P322 F327 M328 M329 | D321-S325 WeakPolarHBondContact O-CB 3.11Å; D321-S325 PolarHBondContact O-N 3.05Å; D321-S325 PolarHBondContact O-OG 2.96Å; P322-S325 WeakPolarHBondContact CA-OG 3.48Å; S325-F327 VanDerWaalsContact C-N 3.27Å; S325-F327 PolarHBondContact O-N 3.21Å; S325-M328 PolarHBondContact O-N 3.42Å; S325-M329 VanDerWaalsContact O-CB 3.27Å; S325-M329 WeakPolarHBondContact O-CB 3.4Å; S325-M329 WeakPolarHBondContact O-CG 3.27Å; S325-M329 PolarHBondContact O-N 2.95Å |
| 326 | N | 61.8 | Low | 62.6 | Low | 93 Ų | 93 | 63.5 Ų | 63.5 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 173.5 | -77.3 | -28.4 | 0 | 0 | 0 | 111.3 | P322 N330 | P322-N326 WeakPolarHBondContact O-CB 3.27Å; P322-N326 PolarHBondContact O-N 3.33Å; P322-N326 PolarHBondContact O-ND2 2.99Å; N326-N330 PolarHBondContact O-N 3.15Å; N326-N330 VanDerWaalsContact O-N 3.15Å |
| 327 | F | 64.9 | Low | 61.1 | Low | 38 Ų | 38 | 65.3 Ų | 65.3 | 17% | 0.167 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.1 | -37.5 | 175.5 | 175.2 | -99.1 | 0 | 0 | 0 | 112.5 | I324 S325 R409 H413 | I324-F327 CarbonylContact O-C 3.11Å; I324-F327 WeakPolarHBondContact O-CB 3.46Å; I324-F327 PolarHBondContact O-N 2.92Å; S325-F327 VanDerWaalsContact C-N 3.27Å; S325-F327 PolarHBondContact O-N 3.21Å; F327-R409 HydrophobicContact CE1-CB 4.29Å; F327-R409 WeakPolarHBondContact CE1-O 3.35Å; F327-R409 WeakPolarHBondContact CZ-O 3.47Å; F327-H413 AromaticContact CD2-CD2 3.74Å; F327-H413 HydrophobicContact CE1-CB 4.37Å; F327-H413 HydrophobicContact CE2-CB 4.08Å; F327-H413 AromaticContact CE2-CD2 3.62Å; F327-H413 VanDerWaalsContact CZ-CA 3.5Å; F327-H413 HydrophobicContact CZ-CB 3.75Å; F327-H413 AromaticContact CZ-CD2 3.98Å |
| 328 | M | 63.8 | Low | 60.2 | Low | 32 Ų | 32 | 70.3 Ų | 70.3 | 16% | 0.158 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.6 | -27.1 | 178.7 | -73.4 | -172.2 | -178.9 | 0 | 0 | 113.6 | I319 I324 S325 V406 R409 | I319-M328 HydrophobicContact CG2-SD 3.71Å; I324-M328 HydrophobicContact CG2-CE 3.27Å; I324-M328 HydrophobicContact CG2-CG 4.05Å; I324-M328 HydrophobicContact CG2-SD 3.7Å; I324-M328 WeakPolarHBondContact O-CB 3.45Å; I324-M328 VanDerWaalsContact O-CG 3.29Å; I324-M328 WeakPolarHBondContact O-CG 3.29Å; I324-M328 PolarHBondContact O-N 3.45Å; S325-M328 PolarHBondContact O-N 3.42Å; M328-V406 HydrophobicContact CE-CG1 3.79Å; M328-V406 HydrophobicContact CE-CG2 4.37Å; M328-R409 PolarHBondContact O-NH1 3.48Å |
| 329 | M | 58.8 | Low | 59.7 | Low | 163 Ų | 163 | 72.7 Ų | 72.7 | 80% | 0.803 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -93 | -35.6 | -178.1 | -74.1 | -99.5 | 159.6 | 0 | 0 | 113.4 | S325 | S325-M329 VanDerWaalsContact O-CB 3.27Å; S325-M329 WeakPolarHBondContact O-CB 3.4Å; S325-M329 WeakPolarHBondContact O-CG 3.27Å; S325-M329 PolarHBondContact O-N 2.95Å |
| 330 | N | 50.8 | Low | 59.7 | Low | 98 Ų | 98 | 73.1 Ų | 73.1 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | trans | -114.1 | 95.6 | -174.2 | -73.6 | -29.8 | 0 | 0 | 0 | 112 | N326 A332 | N326-N330 PolarHBondContact O-N 3.15Å; N326-N330 VanDerWaalsContact O-N 3.15Å; N330-A332 PolarHBondContact O-N 3Å | ||
| 331 | S | 49.7 | Very low | 60.2 | Low | 125 Ų | 125 | 76.7 Ų | 76.7 | 87% | 0.874 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -76.5 | 9.4 | 175.4 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 332 | A | 45.2 | Very low | 60.9 | Low | 80 Ų | 80 | 79 Ų | 79 | 66% | 0.661 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -137.7 | -4.9 | -156.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | N330 | N330-A332 PolarHBondContact O-N 3Š|
| 333 | N | 38.3 | Very low | 61.7 | Low | 124 Ų | 124 | 78.3 Ų | 78.3 | 66% | 0.663 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -134.5 | 140.6 | -176 | -73.7 | -25.6 | 0 | 0 | 0 | 113.2 | T335 | N333-T335 PolarHBondContact O-N 3.45Š|
| 334 | D | 46.7 | Very low | 62.5 | Low | 123 Ų | 123 | 78.8 Ų | 78.8 | 66% | 0.658 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -59 | 34.9 | -172.9 | -69.9 | -44.5 | 0 | 0 | 0 | 118.1 | K414 | D334-K414 IonicContact OD1-NZ 2.94Š|
| 335 | T | 45.4 | Very low | 63.5 | Low | 95 Ų | 95 | 82.8 Ų | 82.8 | 58% | 0.583 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -89.3 | -4.3 | -177.5 | 55.1 | 0 | 0 | 0 | 0 | 114.9 | N333 D337 | N333-T335 PolarHBondContact O-N 3.45Å; T335-D337 VanDerWaalsContact C-N 3.34Å |
| 336 | C | 48.7 | Very low | 64.7 | Low | 34 Ų | 34 | 81.6 Ų | 81.6 | 23% | 0.23 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -76.7 | -16.1 | -178.7 | -69.1 | 0 | 0 | 0 | 0 | 114.1 | N338 | C336-N338 PolarHBondContact O-N 2.83Š|
| 337 | D | 51.4 | Low | 66 | Low | 111 Ų | 111 | 77.3 Ų | 77.3 | 59% | 0.594 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -74.1 | 2.4 | -175.4 | -62 | -0.9 | 0 | 0 | 0 | 113.4 | T335 K414 | T335-D337 VanDerWaalsContact C-N 3.34Å; D337-K414 IonicContact OD1-NZ 2.66Å |
| 338 | N | 61.3 | Low | 67.2 | Low | 136 Ų | 136 | 76.9 Ų | 76.9 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -118.9 | 13.6 | -172 | -66.6 | -43 | 0 | 0 | 0 | 114.6 | C336 | C336-N338 PolarHBondContact O-N 2.83Š|
| 339 | L | 72.7 | Confident | 68.6 | Low | 51 Ų | 51 | 76 Ų | 76 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | trans | -72.2 | 130.9 | 174.2 | -63.9 | 178.5 | 0 | 0 | 0 | 109.9 | Q343 L347 | L339-Q343 HydrophobicContact CB-CB 4.17Å; L339-Q343 HydrophobicContact CD2-CB 4.11Å; L339-L347 HydrophobicContact CD1-CD2 4.32Å | ||
| 340 | N | 79.8 | Confident | 70.2 | Confident | 57 Ų | 57 | 68.3 Ų | 68.3 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | trans | -75.3 | 167.3 | 171.6 | 67.1 | 22.5 | 0 | 0 | 0 | 111.5 | D342 Q343 L344 | N340-D342 VanDerWaalsContact C-N 3.28Å; N340-D342 PolarHBondContact O-N 3.1Å; N340-D342 PolarHBondContact OD1-N 3.42Å; N340-Q343 VanDerWaalsContact CG-OE1 3.23Å; N340-Q343 PolarHBondContact O-N 3.39Å; N340-Q343 VanDerWaalsContact O-N 3.09Å; N340-Q343 WeakPolarHBondContact OD1-CB 3.46Å; N340-Q343 WeakPolarHBondContact OD1-CG 3.48Å; N340-Q343 PolarHBondContact OD1-N 3.42Å; N340-Q343 PolarHBondContact OD1-OE1 2.96Å; N340-L344 PolarHBondContact O-N 3.39Å | ||
| 341 | E | 84.7 | Confident | 72.2 | Confident | 171 Ų | 171 | 63.6 Ų | 63.6 | 80% | 0.799 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.9 | -42.2 | -178.6 | -168 | 177.1 | 178.2 | 0 | 0 | 112.3 | Q343 L344 E345 | E341-Q343 PolarHBondContact O-N 3.42Å; E341-L344 PolarHBondContact O-N 2.96Å; E341-E345 WeakPolarHBondContact O-CB 3.46Å; E341-E345 PolarHBondContact O-N 2.88Å |
| 342 | D | 85.2 | Confident | 74.3 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 177.8 | -60 | -54.6 | 0 | 0 | 0 | 113 | S277 A280 I281 N340 S346 | S277-D342 VanDerWaalsContact CB-OD2 3.27Å; S277-D342 WeakPolarHBondContact CB-OD2 3.3Å; S277-D342 PolarHBondContact OG-OD2 3.11Å; A280-D342 HydrophobicContact CB-CB 4.29Å; I281-D342 HydrophobicContact CG1-CB 4.18Å; N340-D342 VanDerWaalsContact C-N 3.28Å; N340-D342 PolarHBondContact O-N 3.1Å; N340-D342 PolarHBondContact OD1-N 3.42Å; D342-S346 VanDerWaalsContact O-CB 3.28Å; D342-S346 WeakPolarHBondContact O-CB 3.45Å; D342-S346 PolarHBondContact O-N 3.38Å |
| 343 | Q | 85.2 | Confident | 76.6 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 176.1 | -75.9 | 170.7 | -60.1 | 0 | 0 | 110.8 | A280 N323 L339 N340 E341 S346 L347 | A280-Q343 HydrophobicContact CB-CB 4.49Å; A280-Q343 HydrophobicContact CB-CG 3.95Å; N323-Q343 PolarHBondContact OD1-NE2 3.25Å; L339-Q343 HydrophobicContact CB-CB 4.17Å; L339-Q343 HydrophobicContact CD2-CB 4.11Å; N340-Q343 VanDerWaalsContact CG-OE1 3.23Å; N340-Q343 PolarHBondContact O-N 3.39Å; N340-Q343 VanDerWaalsContact O-N 3.09Å; N340-Q343 WeakPolarHBondContact OD1-CB 3.46Å; N340-Q343 WeakPolarHBondContact OD1-CG 3.48Å; N340-Q343 PolarHBondContact OD1-N 3.42Å; N340-Q343 PolarHBondContact OD1-OE1 2.96Å; E341-Q343 PolarHBondContact O-N 3.42Å; Q343-S346 PolarHBondContact O-N 3.41Å; Q343-L347 WeakPolarHBondContact O-CB 3.44Å; Q343-L347 PolarHBondContact O-N 3.24Å |
| 344 | L | 85.5 | Confident | 79.3 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 175.9 | -168.2 | 72 | 0 | 0 | 0 | 111.2 | N340 E341 S346 L347 S348 E415 I418 | N340-L344 PolarHBondContact O-N 3.39Å; E341-L344 PolarHBondContact O-N 2.96Å; L344-S346 PolarHBondContact O-N 3.31Å; L344-L347 PolarHBondContact O-N 2.89Å; L344-S348 WeakPolarHBondContact O-CB 3.28Å; L344-S348 PolarHBondContact O-N 3.39Å; L344-E415 HydrophobicContact CD1-CB 4.26Å; L344-E415 HydrophobicContact CD1-CG 3.95Å; L344-I418 HydrophobicContact CD1-CD1 3.56Å; L344-I418 HydrophobicContact CD1-CG1 4.27Å |
| 345 | E | 88.8 | Confident | 81.5 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -45.5 | 174 | -172.3 | -171 | 170.3 | 0 | 0 | 110.9 | E341 L347 S348 T349 | E341-E345 WeakPolarHBondContact O-CB 3.46Å; E341-E345 PolarHBondContact O-N 2.88Å; E345-L347 VanDerWaalsContact C-N 3.33Å; E345-L347 PolarHBondContact O-N 2.9Å; E345-S348 PolarHBondContact O-N 3.03Å; E345-T349 WeakPolarHBondContact O-CB 3.44Å; E345-T349 PolarHBondContact O-N 3.19Å; E345-T349 PolarHBondContact O-OG1 3.05Å |
| 346 | S | 89.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 175.4 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | A280 Y287 D342 Q343 L344 T349 F350 | A280-S346 PolarHBondContact O-OG 2.77Å; Y287-S346 WeakPolarHBondContact CD2-O 3.02Å; Y287-S346 WeakPolarHBondContact CE2-O 3.34Å; D342-S346 VanDerWaalsContact O-CB 3.28Å; D342-S346 WeakPolarHBondContact O-CB 3.45Å; D342-S346 PolarHBondContact O-N 3.38Å; Q343-S346 PolarHBondContact O-N 3.41Å; L344-S346 PolarHBondContact O-N 3.31Å; S346-T349 PolarHBondContact O-N 3.44Å; S346-F350 PolarHBondContact O-N 3.45Å |
| 347 | L | 88.8 | Confident | 85.8 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.5 | -39.4 | 179.6 | -174.4 | 54 | 0 | 0 | 0 | 112.4 | I324 L339 Q343 L344 E345 T349 F350 A351 L410 I418 | I324-L347 HydrophobicContact CD1-CD1 4.41Å; I324-L347 HydrophobicContact CG1-CD1 3.86Å; L339-L347 HydrophobicContact CD1-CD2 4.32Å; Q343-L347 WeakPolarHBondContact O-CB 3.44Å; Q343-L347 PolarHBondContact O-N 3.24Å; L344-L347 PolarHBondContact O-N 2.89Å; E345-L347 VanDerWaalsContact C-N 3.33Å; E345-L347 PolarHBondContact O-N 2.9Å; L347-T349 VanDerWaalsContact C-N 3.35Å; L347-F350 HydrophobicContact CD1-CD1 4.48Å; L347-F350 WeakPolarHBondContact O-CB 3.28Å; L347-F350 PolarHBondContact O-N 3Å; L347-A351 WeakPolarHBondContact O-CB 3.32Å; L347-A351 PolarHBondContact O-N 2.93Å; L347-L410 HydrophobicContact CD1-CD2 3.77Å; L347-I418 HydrophobicContact CB-CD1 4.2Å; L347-I418 HydrophobicContact CD2-CD1 3.37Å; L347-I418 HydrophobicContact CD2-CG1 4.43Å; L347-I418 HydrophobicContact CG-CD1 3.64Å; L347-I418 HydrophobicContact CG-CG1 4.21Å; L347-I418 HydrophobicContact CG-CG2 4.46Å |
| 348 | S | 91.4 | Very high | 87.7 | Confident | 29 Ų | 29 | 35 Ų | 35 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 173.1 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | L344 E345 A351 T352 | L344-S348 WeakPolarHBondContact O-CB 3.28Å; L344-S348 PolarHBondContact O-N 3.39Å; E345-S348 PolarHBondContact O-N 3.03Å; S348-A351 WeakPolarHBondContact O-CB 3.44Å; S348-A351 PolarHBondContact O-N 2.87Å; S348-T352 PolarHBondContact O-N 3.26Å; S348-T352 PolarHBondContact O-OG1 3.32Å |
| 349 | T | 92.5 | Very high | 89.1 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 9% | 0.086 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 175.5 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | Y287 L288 I291 E345 S346 L347 T352 L353 | Y287-T349 HydrophobicContact CD2-CG2 4.46Å; L288-T349 HydrophobicContact CD2-CG2 3.85Å; L288-T349 HydrophobicContact CG-CG2 3.85Å; I291-T349 HydrophobicContact CD1-CG2 4.09Å; E345-T349 WeakPolarHBondContact O-CB 3.44Å; E345-T349 PolarHBondContact O-N 3.19Å; E345-T349 PolarHBondContact O-OG1 3.05Å; S346-T349 PolarHBondContact O-N 3.44Å; L347-T349 VanDerWaalsContact C-N 3.35Å; T349-T352 WeakPolarHBondContact O-CB 3.36Å; T349-T352 PolarHBondContact O-N 3.24Å; T349-L353 PolarHBondContact O-N 3.28Å |
| 350 | F | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 171.3 | 179.2 | -105.3 | 0 | 0 | 0 | 111.8 | Y287 L318 I324 S346 L347 T352 L353 I354 V406 L410 | Y287-F350 HydrophobicContact CD1-CD2 4.17Å; Y287-F350 HydrophobicContact CD2-CB 3.78Å; Y287-F350 AromaticContact CE1-CD2 3.85Å; Y287-F350 HydrophobicContact CE1-CD2 3.85Å; Y287-F350 HydrophobicContact CE2-CB 3.63Å; Y287-F350 HydrophobicContact CE2-CD2 4.32Å; Y287-F350 HydrophobicContact CE2-CG 4.38Å; Y287-F350 HydrophobicContact CG-CB 4.34Å; Y287-F350 AromaticContact CZ-CD2 3.91Å; L318-F350 HydrophobicContact CB-CE2 4.11Å; I324-F350 HydrophobicContact CD1-CB 4.27Å; I324-F350 HydrophobicContact CD1-CD1 3.49Å; I324-F350 VanDerWaalsContact CD1-CD1 3.49Å; I324-F350 HydrophobicContact CD1-CD2 3.95Å; I324-F350 HydrophobicContact CD1-CE1 3.7Å; I324-F350 HydrophobicContact CD1-CE2 4.15Å; I324-F350 HydrophobicContact CD1-CG 3.62Å; I324-F350 HydrophobicContact CD1-CZ 4.01Å; I324-F350 HydrophobicContact CG1-CD1 4.43Å; I324-F350 HydrophobicContact CG2-CE1 4.38Å; S346-F350 PolarHBondContact O-N 3.45Å; L347-F350 HydrophobicContact CD1-CD1 4.48Å; L347-F350 WeakPolarHBondContact O-CB 3.28Å; L347-F350 PolarHBondContact O-N 3Å; F350-T352 VanDerWaalsContact C-N 3.26Å; F350-T352 PolarHBondContact O-N 3.18Å; F350-L353 WeakPolarHBondContact O-CB 3.46Å; F350-L353 PolarHBondContact O-N 3.03Å; F350-L353 VanDerWaalsContact O-N 3.14Å; F350-I354 HydrophobicContact CD1-CG1 4.27Å; F350-I354 HydrophobicContact CE1-CD1 4.32Å; F350-I354 HydrophobicContact CE1-CG1 3.82Å; F350-I354 HydrophobicContact CE2-CD1 4.21Å; F350-I354 HydrophobicContact CE2-CG1 4.25Å; F350-I354 HydrophobicContact CZ-CD1 3.83Å; F350-I354 HydrophobicContact CZ-CG1 3.82Å; F350-I354 WeakPolarHBondContact O-CG1 3.28Å; F350-I354 PolarHBondContact O-N 3.38Å; F350-V406 HydrophobicContact CE1-CG1 3.91Å; F350-V406 HydrophobicContact CZ-CG1 4.17Å; F350-L410 HydrophobicContact CD1-CD1 4.09Å; F350-L410 HydrophobicContact CD1-CD2 4.17Å; F350-L410 HydrophobicContact CE1-CD1 4.08Å; F350-L410 HydrophobicContact CE1-CD2 4.43Å |
| 351 | A | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L347 S348 L353 I354 D355 L410 I418 V421 V422 | L347-A351 WeakPolarHBondContact O-CB 3.32Å; L347-A351 PolarHBondContact O-N 2.93Å; S348-A351 WeakPolarHBondContact O-CB 3.44Å; S348-A351 PolarHBondContact O-N 2.87Å; A351-L353 VanDerWaalsContact C-N 3.35Å; A351-L353 PolarHBondContact O-N 3.4Å; A351-I354 PolarHBondContact O-N 2.93Å; A351-D355 PolarHBondContact O-N 3.4Å; A351-L410 HydrophobicContact CB-CD1 4Å; A351-I418 HydrophobicContact CB-CG2 4.4Å; A351-V421 VanDerWaalsContact C-CG1 3.46Å; A351-V421 HydrophobicContact CB-CB 4.1Å; A351-V421 HydrophobicContact CB-CG1 3.72Å; A351-V422 HydrophobicContact CB-CG1 3.97Å |
| 352 | T | 94.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 20.4 Ų | 20.4 | 33% | 0.325 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 175.7 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | I291 S348 T349 F350 D355 A356 V421 | I291-T352 HydrophobicContact CD1-CG2 3.93Å; S348-T352 PolarHBondContact O-N 3.26Å; S348-T352 PolarHBondContact O-OG1 3.32Å; T349-T352 WeakPolarHBondContact O-CB 3.36Å; T349-T352 PolarHBondContact O-N 3.24Å; F350-T352 VanDerWaalsContact C-N 3.26Å; F350-T352 PolarHBondContact O-N 3.18Å; T352-D355 PolarHBondContact O-N 2.92Å; T352-A356 VanDerWaalsContact O-CB 3.3Å; T352-A356 WeakPolarHBondContact O-CB 3.3Å; T352-A356 PolarHBondContact O-N 3Å; T352-V421 VanDerWaalsContact CA-CG1 3.49Å; T352-V421 VanDerWaalsContact N-CG1 3.26Å; T352-V421 VanDerWaalsContact OG1-CG1 3.31Å; T352-V421 WeakPolarHBondContact OG1-CG1 3.38Å |
| 353 | L | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 173.2 | 174.6 | 64.2 | 0 | 0 | 0 | 111.3 | Y287 L290 I291 V294 T349 F350 A351 A356 M357 | Y287-L353 HydrophobicContact CD1-CD2 4.22Å; L290-L353 HydrophobicContact CB-CD1 3.67Å; L290-L353 HydrophobicContact CB-CD2 4.07Å; L290-L353 HydrophobicContact CD1-CD2 3.88Å; I291-L353 HydrophobicContact CD1-CB 4.24Å; I291-L353 HydrophobicContact CG1-CB 3.86Å; I291-L353 HydrophobicContact CG1-CD1 3.92Å; V294-L353 HydrophobicContact CG2-CD1 3.89Å; T349-L353 PolarHBondContact O-N 3.28Å; F350-L353 WeakPolarHBondContact O-CB 3.46Å; F350-L353 PolarHBondContact O-N 3.03Å; F350-L353 VanDerWaalsContact O-N 3.14Å; A351-L353 VanDerWaalsContact C-N 3.35Å; A351-L353 PolarHBondContact O-N 3.4Å; L353-A356 PolarHBondContact O-N 2.88Å; L353-M357 HydrophobicContact CD1-CG 4.08Å; L353-M357 HydrophobicContact CD1-SD 4.06Å; L353-M357 HydrophobicContact CG-CG 4.48Å; L353-M357 HydrophobicContact CG-SD 4.11Å; L353-M357 WeakPolarHBondContact O-CB 3.31Å; L353-M357 VanDerWaalsContact O-CG 3.24Å; L353-M357 WeakPolarHBondContact O-CG 3.26Å; L353-M357 PolarHBondContact O-N 3.04Å |
| 354 | I | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 178.9 | -63.7 | -62.4 | 0 | 0 | 0 | 111.6 | W311 F350 A351 M357 G358 V406 A407 L410 | W311-I354 HydrophobicContact CH2-CD1 3.68Å; W311-I354 HydrophobicContact CZ3-CD1 3.69Å; F350-I354 HydrophobicContact CD1-CG1 4.27Å; F350-I354 HydrophobicContact CE1-CD1 4.32Å; F350-I354 HydrophobicContact CE1-CG1 3.82Å; F350-I354 HydrophobicContact CE2-CD1 4.21Å; F350-I354 HydrophobicContact CE2-CG1 4.25Å; F350-I354 HydrophobicContact CZ-CD1 3.83Å; F350-I354 HydrophobicContact CZ-CG1 3.82Å; F350-I354 WeakPolarHBondContact O-CG1 3.28Å; F350-I354 PolarHBondContact O-N 3.38Å; A351-I354 PolarHBondContact O-N 2.93Å; I354-M357 PolarHBondContact O-N 2.9Å; I354-G358 PolarHBondContact O-N 3.34Å; I354-V406 HydrophobicContact CD1-CB 4.46Å; I354-V406 HydrophobicContact CD1-CG1 3.88Å; I354-V406 HydrophobicContact CG1-CG1 3.83Å; I354-V406 HydrophobicContact CG2-CB 4.42Å; I354-V406 HydrophobicContact CG2-CG1 4.22Å; I354-A407 HydrophobicContact CG2-CB 3.98Å; I354-L410 HydrophobicContact CB-CD1 4.23Å; I354-L410 HydrophobicContact CG1-CD1 4.11Å; I354-L410 HydrophobicContact CG2-CD1 4.43Å |
| 355 | D | 93.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 20.9 Ų | 20.9 | 13% | 0.134 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 174.3 | 178.2 | 82.5 | 0 | 0 | 0 | 111.1 | A351 T352 M357 G358 N359 F425 | A351-D355 PolarHBondContact O-N 3.4Å; T352-D355 PolarHBondContact O-N 2.92Å; D355-M357 PolarHBondContact O-N 2.96Å; D355-G358 PolarHBondContact O-N 2.91Å; D355-N359 VanDerWaalsContact CG-ND2 3.31Å; D355-N359 WeakPolarHBondContact O-CB 3.43Å; D355-N359 PolarHBondContact O-N 3.02Å; D355-N359 PolarHBondContact O-ND2 3.44Å; D355-N359 VanDerWaalsContact O-ND2 3.11Å; D355-N359 PolarHBondContact OD1-ND2 3.25Å; D355-N359 PolarHBondContact OD2-ND2 3.04Å; D355-F425 HydrophobicContact CB-CB 4.34Å; D355-F425 WeakPolarHBondContact OD1-CA 3.3Å; D355-F425 WeakPolarHBondContact OD1-CB 3.06Å; D355-F425 PolarHBondContact OD1-N 2.61Å |
| 356 | A | 92.1 | Very high | 87.6 | Confident | 9 Ų | 9 | 20.3 Ų | 20.3 | 7% | 0.074 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V294 T352 L353 G358 Q360 | V294-A356 VanDerWaalsContact CG1-C 3.41Å; V294-A356 HydrophobicContact CG1-CB 3.7Å; T352-A356 VanDerWaalsContact O-CB 3.3Å; T352-A356 WeakPolarHBondContact O-CB 3.3Å; T352-A356 PolarHBondContact O-N 3Å; L353-A356 PolarHBondContact O-N 2.88Å; A356-G358 PolarHBondContact O-N 3.08Å; A356-Q360 WeakPolarHBondContact O-CG 3.3Å; A356-Q360 PolarHBondContact O-N 3.2Å; A356-Q360 VanDerWaalsContact O-N 3.08Å |
| 357 | M | 92.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.02 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 178.1 | -73.3 | -176.3 | 83.5 | 0 | 0 | 111.1 | V294 L307 W311 L353 I354 D355 Q360 L361 R403 | V294-M357 HydrophobicContact CB-CG 4.38Å; V294-M357 HydrophobicContact CG1-CB 4.37Å; V294-M357 HydrophobicContact CG1-CG 3.86Å; V294-M357 HydrophobicContact CG2-CG 3.54Å; V294-M357 HydrophobicContact CG2-SD 4.44Å; L307-M357 HydrophobicContact CD2-CE 4.2Å; L307-M357 HydrophobicContact CD2-CG 4.3Å; W311-M357 HydrophobicContact CB-CE 4.49Å; W311-M357 HydrophobicContact CE3-CE 3.8Å; W311-M357 HydrophobicContact CE3-SD 4.04Å; W311-M357 HydrophobicContact CZ3-CE 4.43Å; W311-M357 HydrophobicContact CZ3-SD 4.12Å; L353-M357 HydrophobicContact CD1-CG 4.08Å; L353-M357 HydrophobicContact CD1-SD 4.06Å; L353-M357 HydrophobicContact CG-CG 4.48Å; L353-M357 HydrophobicContact CG-SD 4.11Å; L353-M357 WeakPolarHBondContact O-CB 3.31Å; L353-M357 VanDerWaalsContact O-CG 3.24Å; L353-M357 WeakPolarHBondContact O-CG 3.26Å; L353-M357 PolarHBondContact O-N 3.04Å; I354-M357 PolarHBondContact O-N 2.9Å; D355-M357 PolarHBondContact O-N 2.96Å; M357-Q360 PolarHBondContact O-N 3.33Å; M357-L361 VanDerWaalsContact O-CG 3.3Å; M357-L361 WeakPolarHBondContact O-CG 3.27Å; M357-L361 PolarHBondContact O-N 3.42Å; M357-R403 HydrophobicContact CB-CG 4.49Å |
| 358 | G | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | I354 D355 A356 Q360 L361 L362 F425 | I354-G358 PolarHBondContact O-N 3.34Å; D355-G358 PolarHBondContact O-N 2.91Å; A356-G358 PolarHBondContact O-N 3.08Å; G358-Q360 PolarHBondContact O-N 3.17Å; G358-L361 PolarHBondContact O-N 3.39Å; G358-L362 WeakPolarHBondContact O-CB 3.35Å; G358-L362 PolarHBondContact O-N 3.17Å; G358-F425 VanDerWaalsContact C-CD2 3.44Å; G358-F425 VanDerWaalsContact C-CE2 3.4Å; G358-F425 VanDerWaalsContact CA-CZ 3.47Å |
| 359 | N | 90.3 | Very high | 83.5 | Confident | 43 Ų | 43 | 26.9 Ų | 26.9 | 23% | 0.23 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 178.2 | -77.5 | -47.9 | 0 | 0 | 0 | 112.6 | D355 L362 F363 | D355-N359 VanDerWaalsContact CG-ND2 3.31Å; D355-N359 WeakPolarHBondContact O-CB 3.43Å; D355-N359 PolarHBondContact O-N 3.02Å; D355-N359 PolarHBondContact O-ND2 3.44Å; D355-N359 VanDerWaalsContact O-ND2 3.11Å; D355-N359 PolarHBondContact OD1-ND2 3.25Å; D355-N359 PolarHBondContact OD2-ND2 3.04Å; N359-L362 WeakPolarHBondContact O-CB 3.4Å; N359-L362 PolarHBondContact O-N 3.34Å; N359-F363 PolarHBondContact O-N 2.62Å |
| 360 | Q | 88.3 | Confident | 81.7 | Confident | 52 Ų | 52 | 28 Ų | 28 | 24% | 0.243 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.6 | -42.3 | 175.3 | -65.9 | -71.7 | -28 | 0 | 0 | 112 | V294 L307 A356 M357 G358 L362 F363 V364 | V294-Q360 HydrophobicContact CG1-CG 3.93Å; V294-Q360 VanDerWaalsContact O-CG 3.3Å; V294-Q360 WeakPolarHBondContact O-CG 3.32Å; L307-Q360 HydrophobicContact CD1-CB 3.89Å; A356-Q360 WeakPolarHBondContact O-CG 3.3Å; A356-Q360 PolarHBondContact O-N 3.2Å; A356-Q360 VanDerWaalsContact O-N 3.08Å; M357-Q360 PolarHBondContact O-N 3.33Å; G358-Q360 PolarHBondContact O-N 3.17Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 3.45Å; Q360-F363 PolarHBondContact O-N 3.46Å; Q360-V364 VanDerWaalsContact O-CG2 3.3Å; Q360-V364 WeakPolarHBondContact O-CG2 3.15Å; Q360-V364 PolarHBondContact O-N 2.9Å |
| 361 | L | 87.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -36 | 173.8 | -70.9 | 170.1 | 0 | 0 | 0 | 111.6 | L304 L307 M357 G358 V364 N365 A399 L400 | L304-L361 HydrophobicContact CD1-CD2 3.92Å; L307-L361 HydrophobicContact CB-CD2 4.4Å; L307-L361 HydrophobicContact CD1-CD2 3.9Å; L307-L361 HydrophobicContact CD1-CG 4Å; M357-L361 VanDerWaalsContact O-CG 3.3Å; M357-L361 WeakPolarHBondContact O-CG 3.27Å; M357-L361 PolarHBondContact O-N 3.42Å; G358-L361 PolarHBondContact O-N 3.39Å; L361-V364 PolarHBondContact O-N 3.17Å; L361-N365 PolarHBondContact O-N 3.24Å; L361-N365 PolarHBondContact O-ND2 2.97Å; L361-A399 HydrophobicContact CD1-CB 4.18Å; L361-A399 HydrophobicContact CD2-CB 4.21Å; L361-L400 HydrophobicContact CB-CB 4.35Å; L361-L400 HydrophobicContact CB-CD1 3.92Å |
| 362 | L | 85.3 | Confident | 77.6 | Confident | 13 Ų | 13 | 36.3 Ų | 36.3 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 174.3 | -160.9 | 96.5 | 0 | 0 | 0 | 111.9 | G358 N359 Q360 N365 L366 L400 Y429 L432 | G358-L362 WeakPolarHBondContact O-CB 3.35Å; G358-L362 PolarHBondContact O-N 3.17Å; N359-L362 WeakPolarHBondContact O-CB 3.4Å; N359-L362 PolarHBondContact O-N 3.34Å; Q360-L362 VanDerWaalsContact C-N 3.29Å; Q360-L362 PolarHBondContact O-N 3.45Å; L362-N365 PolarHBondContact O-N 2.91Å; L362-L366 HydrophobicContact CD2-CD1 4.36Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 3.42Å; L362-L400 HydrophobicContact CD1-CD2 4.42Å; L362-Y429 HydrophobicContact CD1-CD2 4.12Å; L362-L432 HydrophobicContact CD1-CB 3.93Å; L362-L432 HydrophobicContact CD1-CD2 3.57Å; L362-L432 HydrophobicContact CD1-CG 4.36Å; L362-L432 HydrophobicContact CG-CD2 4.24Å |
| 363 | F | 80.8 | Confident | 75.3 | Confident | 99 Ų | 99 | 35.6 Ų | 35.6 | 43% | 0.434 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.9 | -177.9 | -95.9 | 0 | 0 | 0 | 112.1 | V300 N359 Q360 N365 L366 Y367 | V300-F363 HydrophobicContact CG2-CE1 4.41Å; N359-F363 PolarHBondContact O-N 2.62Å; Q360-F363 PolarHBondContact O-N 3.46Å; F363-N365 VanDerWaalsContact C-N 3.31Å; F363-N365 PolarHBondContact O-N 3.1Å; F363-L366 PolarHBondContact O-N 3.27Å; F363-Y367 PolarHBondContact O-N 2.84Å |
| 364 | V | 74.6 | Confident | 72.9 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.8 | -48.1 | 174.1 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | V300 L304 Q360 L361 L366 Y367 E368 A396 | V300-V364 HydrophobicContact CG1-CB 3.98Å; V300-V364 HydrophobicContact CG1-CG1 3.68Å; V300-V364 HydrophobicContact CG1-CG2 3.93Å; L304-V364 HydrophobicContact CB-CG1 4.4Å; L304-V364 HydrophobicContact CD1-CG1 4.48Å; Q360-V364 VanDerWaalsContact O-CG2 3.3Å; Q360-V364 WeakPolarHBondContact O-CG2 3.15Å; Q360-V364 PolarHBondContact O-N 2.9Å; L361-V364 PolarHBondContact O-N 3.17Å; V364-L366 PolarHBondContact O-N 3.44Å; V364-Y367 PolarHBondContact O-N 3.26Å; V364-E368 PolarHBondContact O-N 3.35Å; V364-E368 VanDerWaalsContact O-N 3.16Å; V364-A396 HydrophobicContact CG1-CB 4.35Å |
| 365 | N | 68.3 | Low | 70.4 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.8 | -77.3 | -63.3 | 0 | 0 | 0 | 112.9 | L361 L362 F363 A369 | L361-N365 PolarHBondContact O-N 3.24Å; L361-N365 PolarHBondContact O-ND2 2.97Å; L362-N365 PolarHBondContact O-N 2.91Å; F363-N365 VanDerWaalsContact C-N 3.31Å; F363-N365 PolarHBondContact O-N 3.1Å; N365-A369 WeakPolarHBondContact O-CB 3.39Å; N365-A369 PolarHBondContact O-N 3.39Å; N365-A369 VanDerWaalsContact O-N 3.08Å |
| 366 | L | 67.3 | Low | 68 | Low | 74 Ų | 74 | 46 Ų | 46 | 39% | 0.387 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69 | -36.4 | 179 | -72.9 | 170.9 | 0 | 0 | 0 | 112.9 | L362 F363 V364 A369 T370 L432 | L362-L366 HydrophobicContact CD2-CD1 4.36Å; L362-L366 WeakPolarHBondContact O-CG 3.42Å; L362-L366 PolarHBondContact O-N 3.42Å; F363-L366 PolarHBondContact O-N 3.27Å; V364-L366 PolarHBondContact O-N 3.44Å; L366-A369 PolarHBondContact O-N 3.12Å; L366-T370 PolarHBondContact O-N 3.17Å; L366-T370 VanDerWaalsContact O-N 3.09Å; L366-T370 PolarHBondContact O-OG1 3.27Å; L366-L432 HydrophobicContact CD2-CD1 3.51Å; L366-L432 HydrophobicContact CG-CD1 4.13Å |
| 367 | Y | 65.2 | Low | 65.6 | Low | 117 Ų | 117 | 52.3 Ų | 52.3 | 46% | 0.459 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 177.7 | -172.2 | -91.2 | 0 | 0 | 0 | 111.8 | V300 F363 V364 T370 W371 | V300-Y367 HydrophobicContact CB-CD1 4.22Å; V300-Y367 HydrophobicContact CG1-CD1 4.33Å; V300-Y367 HydrophobicContact CG2-CD1 3.66Å; V300-Y367 HydrophobicContact CG2-CD2 4.4Å; V300-Y367 HydrophobicContact CG2-CE1 4.15Å; V300-Y367 HydrophobicContact CG2-CG 3.78Å; F363-Y367 PolarHBondContact O-N 2.84Å; V364-Y367 PolarHBondContact O-N 3.26Å; Y367-T370 WeakPolarHBondContact CA-OG1 3.45Å; Y367-T370 PolarHBondContact O-N 2.87Å; Y367-T370 PolarHBondContact O-OG1 3.47Å; Y367-W371 WeakPolarHBondContact O-CB 3.42Å; Y367-W371 PolarHBondContact O-N 3.08Å |
| 368 | E | 60.8 | Low | 63 | Low | 36 Ų | 36 | 60.3 Ų | 60.3 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 173.8 | -76.7 | -160.9 | 165 | 0 | 0 | 112 | V364 T370 W371 L372 | V364-E368 PolarHBondContact O-N 3.35Å; V364-E368 VanDerWaalsContact O-N 3.16Å; E368-T370 PolarHBondContact O-N 2.94Å; E368-W371 PolarHBondContact O-N 3.16Å; E368-W371 VanDerWaalsContact O-N 3.17Å; E368-L372 WeakPolarHBondContact O-CB 3.33Å; E368-L372 WeakPolarHBondContact O-CG 3.5Å; E368-L372 PolarHBondContact O-N 3.26Å |
| 369 | A | 56.8 | Low | 60.1 | Low | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.9 | -35.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N365 L366 N373 | N365-A369 WeakPolarHBondContact O-CB 3.39Å; N365-A369 PolarHBondContact O-N 3.39Å; N365-A369 VanDerWaalsContact O-N 3.08Å; L366-A369 PolarHBondContact O-N 3.12Å; A369-N373 PolarHBondContact O-ND2 2.89Å |
| 370 | T | 55.7 | Low | 57.4 | Low | 37 Ų | 37 | 70.7 Ų | 70.7 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -78.7 | -36.1 | 175.5 | 43.9 | 0 | 0 | 0 | 0 | 112.7 | L366 Y367 E368 N373 N374 L470 | L366-T370 PolarHBondContact O-N 3.17Å; L366-T370 VanDerWaalsContact O-N 3.09Å; L366-T370 PolarHBondContact O-OG1 3.27Å; Y367-T370 WeakPolarHBondContact CA-OG1 3.45Å; Y367-T370 PolarHBondContact O-N 2.87Å; Y367-T370 PolarHBondContact O-OG1 3.47Å; E368-T370 PolarHBondContact O-N 2.94Å; T370-N373 PolarHBondContact O-N 3.32Å; T370-N374 PolarHBondContact O-N 3.09Å; T370-N374 VanDerWaalsContact O-N 3.12Å; T370-L470 HydrophobicContact CG2-CD2 3.99Å |
| 371 | W | 50.6 | Low | 54.6 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 177.8 | -163.9 | 81.1 | 0 | 0 | 0 | 112.7 | Y367 E368 N373 N374 S375 R384 | Y367-W371 WeakPolarHBondContact O-CB 3.42Å; Y367-W371 PolarHBondContact O-N 3.08Å; E368-W371 PolarHBondContact O-N 3.16Å; E368-W371 VanDerWaalsContact O-N 3.17Å; W371-N373 VanDerWaalsContact C-N 3.26Å; W371-N373 PolarHBondContact O-N 3.47Å; W371-N374 PolarHBondContact O-N 3.18Å; W371-S375 WeakPolarHBondContact O-CB 3.5Å; W371-S375 PolarHBondContact O-N 3.37Å; W371-S375 VanDerWaalsContact O-N 3.1Å; W371-S375 PolarHBondContact O-OG 2.94Å; W371-R384 VanDerWaalsContact CH2-NH1 3.34Å |
| 372 | L | 47.2 | Very low | 52 | Low | 78 Ų | 78 | 84 Ų | 84 | 41% | 0.408 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 174.2 | -74.2 | 165.8 | 0 | 0 | 0 | 111.9 | E368 | E368-L372 WeakPolarHBondContact O-CB 3.33Å; E368-L372 WeakPolarHBondContact O-CG 3.5Å; E368-L372 PolarHBondContact O-N 3.26Å |
| 373 | N | 46.8 | Very low | 49.3 | Very low | 39 Ų | 39 | 93.1 Ų | 93.1 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -80.3 | -24.3 | 179 | -80 | -17.9 | 0 | 0 | 0 | 114.7 | A369 T370 W371 S376 S475 | A369-N373 PolarHBondContact O-ND2 2.89Å; T370-N373 PolarHBondContact O-N 3.32Å; W371-N373 VanDerWaalsContact C-N 3.26Å; W371-N373 PolarHBondContact O-N 3.47Å; N373-S376 PolarHBondContact O-OG 2.94Å; N373-S475 PolarHBondContact ND2-O 2.95Å; N373-S475 PolarHBondContact ND2-OG 3.07Å; N373-S475 VanDerWaalsContact ND2-OG 3.1Å |
| 374 | N | 42.8 | Very low | 46.9 | Very low | 102 Ų | 102 | 97.1 Ų | 97.1 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -83.2 | -28 | 174.6 | -77.6 | -24.8 | 0 | 0 | 0 | 112.7 | T370 W371 S376 N377 | T370-N374 PolarHBondContact O-N 3.09Å; T370-N374 VanDerWaalsContact O-N 3.12Å; W371-N374 PolarHBondContact O-N 3.18Å; N374-S376 VanDerWaalsContact C-N 3.35Å; N374-S376 PolarHBondContact O-N 3.45Å; N374-N377 PolarHBondContact O-N 3.18Å |
| 375 | S | 40.4 | Very low | 44.8 | Very low | 56 Ų | 56 | 101.3 Ų | 101.3 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.6 | -19.2 | -176.8 | -54.7 | 0 | 0 | 0 | 0 | 113.7 | W371 N377 | W371-S375 WeakPolarHBondContact O-CB 3.5Å; W371-S375 PolarHBondContact O-N 3.37Å; W371-S375 VanDerWaalsContact O-N 3.1Å; W371-S375 PolarHBondContact O-OG 2.94Å; S375-N377 VanDerWaalsContact C-N 3.26Å; S375-N377 PolarHBondContact O-N 3.02Å |
| 376 | S | 44.4 | Very low | 43.2 | Very low | 86 Ų | 86 | 110.2 Ų | 110.2 | 60% | 0.601 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -5.9 | 174.9 | 51.6 | 0 | 0 | 0 | 0 | 114 | N373 N374 | N373-S376 PolarHBondContact O-OG 2.94Å; N374-S376 VanDerWaalsContact C-N 3.35Å; N374-S376 PolarHBondContact O-N 3.45Å |
| 377 | N | 40.8 | Very low | 42 | Very low | 140 Ų | 140 | 111.1 Ų | 111.1 | 75% | 0.749 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 7.6 | -174.5 | -84.7 | -34.1 | 0 | 0 | 0 | 115.9 | N374 S375 | N374-N377 PolarHBondContact O-N 3.18Å; S375-N377 VanDerWaalsContact C-N 3.26Å; S375-N377 PolarHBondContact O-N 3.02Å |
| 378 | Q | 37.4 | Very low | 41 | Very low | 172 Ų | 172 | 110.2 Ų | 110.2 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | trans | -128.7 | 102.1 | 173.2 | -75.3 | -170.5 | -2.2 | 0 | 0 | 112.4 | N380 | Q378-N380 PolarHBondContact O-N 3.13Å; Q378-N380 VanDerWaalsContact O-N 3.09Å | ||
| 379 | A | 30.9 | Very low | 40.3 | Very low | 100 Ų | 100 | 112.2 Ų | 112.2 | 83% | 0.826 | 60% | 0.595 | S | S | * | * | trans | -63 | 102.3 | 164 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 380 | N | 32.7 | Very low | 39.9 | Very low | 162 Ų | 162 | 118.2 Ų | 118.2 | 87% | 0.866 | 63% | 0.625 | S | S | * | * | trans | -152.9 | 84.8 | 151.8 | -98.5 | -19.7 | 0 | 0 | 0 | 109.3 | Q378 Q382 | Q378-N380 PolarHBondContact O-N 3.13Å; Q378-N380 VanDerWaalsContact O-N 3.09Å; N380-Q382 PolarHBondContact O-N 3.21Å | ||
| 381 | N | 30.5 | Very low | 40.1 | Very low | 156 Ų | 156 | 119.3 Ų | 119.3 | 83% | 0.834 | 63% | 0.634 | S | S | * | * | trans | -69.8 | 107.7 | 167.2 | -81.2 | -22.5 | 0 | 0 | 0 | 109.7 | ||||
| 382 | Q | 32.8 | Very low | 40.9 | Very low | 176 Ų | 176 | 116.8 Ų | 116.8 | 82% | 0.822 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 176.5 | 122.2 | 144.9 | -96.5 | 159.2 | 35.9 | 0 | 0 | 106.9 | N380 | N380-Q382 PolarHBondContact O-N 3.21Š|
| 383 | F | 29.3 | Very low | 42 | Very low | 203 Ų | 203 | 116.1 Ų | 116.1 | 89% | 0.89 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 81.8 | 77.3 | -172.6 | -60.8 | -86.3 | 0 | 0 | 0 | 116.6 | ||
| 384 | R | 29.1 | Very low | 43.4 | Very low | 184 Ų | 184 | 117.8 Ų | 117.8 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | trans | -166.2 | 125 | 144.8 | -102.8 | 152 | -167 | -113.2 | 4.8 | 109.8 | W371 E386 | W371-R384 VanDerWaalsContact CH2-NH1 3.34Å; R384-E386 PolarHBondContact O-N 3.11Å | ||
| 385 | S | 31.6 | Very low | 45.1 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 62% | 0.622 | 63% | 0.628 | S | S | * | * | trans | -68.4 | 122.7 | 170 | 44 | 0 | 0 | 0 | 0 | 109.4 | S387 | S385-S387 PolarHBondContact O-N 3.39Š| ||
| 386 | E | 34.2 | Very low | 47 | Very low | 193 Ų | 193 | 113.9 Ų | 113.9 | 90% | 0.902 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 9.2 | -172.1 | -69 | 176.7 | 145.3 | 0 | 0 | 114.9 | R384 | R384-E386 PolarHBondContact O-N 3.11Š|
| 387 | S | 41.1 | Very low | 48.8 | Very low | 93 Ų | 93 | 111.1 Ų | 111.1 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -23.6 | -169.6 | 59 | 0 | 0 | 0 | 0 | 116.6 | S385 | S385-S387 PolarHBondContact O-N 3.39Š|
| 388 | D | 44.9 | Very low | 50.9 | Low | 97 Ų | 97 | 110.6 Ų | 110.6 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -107.1 | -12.1 | -163.6 | -67.3 | 4.7 | 0 | 0 | 0 | 114.5 | N390 S391 F392 | D388-N390 PolarHBondContact O-N 3.39Å; D388-S391 PolarHBondContact O-OG 3Å; D388-F392 WeakPolarHBondContact O-CE2 3.34Å |
| 389 | N | 45.7 | Very low | 53.2 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 42% | 0.422 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5.4 | -165.6 | -69.7 | -29.8 | 0 | 0 | 0 | 115.8 | ||
| 390 | N | 49.6 | Very low | 55.9 | Low | 144 Ų | 144 | 97.9 Ų | 97.9 | 77% | 0.77 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -0.1 | -177 | -79.7 | -15.7 | 0 | 0 | 0 | 114.7 | D388 | D388-N390 PolarHBondContact O-N 3.39Š|
| 391 | S | 59.7 | Low | 58.5 | Low | 60 Ų | 60 | 92.3 Ų | 92.3 | 42% | 0.42 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -97.8 | -11.8 | -173 | 58.3 | 0 | 0 | 0 | 0 | 115.9 | D388 P394 I395 | D388-S391 PolarHBondContact O-OG 3Å; S391-P394 WeakPolarHBondContact O-CG 3.37Å; S391-I395 WeakPolarHBondContact O-CD1 3.48Å |
| 392 | F | 67.9 | Low | 61.1 | Low | 43 Ų | 43 | 88.2 Ų | 88.2 | 19% | 0.189 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -86.2 | -34.9 | -170.3 | -63.2 | -66.8 | 0 | 0 | 0 | 114.3 | I301 L304 D388 I395 A396 | I301-F392 HydrophobicContact CD1-CD1 3.58Å; I301-F392 HydrophobicContact CD1-CD2 3.86Å; I301-F392 HydrophobicContact CD1-CE1 3.63Å; I301-F392 HydrophobicContact CD1-CE2 3.88Å; I301-F392 HydrophobicContact CD1-CG 3.71Å; I301-F392 HydrophobicContact CD1-CZ 3.78Å; L304-F392 HydrophobicContact CD2-CB 4.21Å; L304-F392 HydrophobicContact CD2-CD1 4.49Å; D388-F392 WeakPolarHBondContact O-CE2 3.34Å; F392-I395 WeakPolarHBondContact O-CB 3.49Å; F392-I395 PolarHBondContact O-N 3.1Å; F392-A396 PolarHBondContact O-N 3.23Å |
| 393 | L | 69.1 | Low | 63.8 | Low | 64 Ų | 64 | 80.1 Ų | 80.1 | 34% | 0.335 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -53.2 | -49.1 | 178.8 | -173.1 | 66.5 | 0 | 0 | 0 | 114.5 | I395 A396 L397 | L393-I395 VanDerWaalsContact C-N 3.3Å; L393-I395 PolarHBondContact O-N 2.98Å; L393-A396 PolarHBondContact O-N 2.85Å; L393-L397 HydrophobicContact CD1-CD1 4.34Å; L393-L397 HydrophobicContact CD1-CG 4.35Å; L393-L397 HydrophobicContact CG-CD1 4.03Å; L393-L397 HydrophobicContact CG-CG 4.44Å; L393-L397 WeakPolarHBondContact O-CB 3.41Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 2.74Å |
| 394 | P | 76 | Confident | 66.7 | Low | 74 Ų | 74 | 70.7 Ų | 70.7 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 179.3 | 22.7 | -32.7 | 0 | 0 | 0 | 112.3 | S391 L397 E398 | S391-P394 WeakPolarHBondContact O-CG 3.37Å; P394-L397 PolarHBondContact O-N 3.22Å; P394-E398 WeakPolarHBondContact O-CB 3.45Å; P394-E398 PolarHBondContact O-N 3.46Å |
| 395 | I | 80 | Confident | 69.5 | Low | 77 Ų | 77 | 65.7 Ų | 65.7 | 40% | 0.395 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 177.5 | -58.4 | 171.5 | 0 | 0 | 0 | 110.4 | T308 S391 F392 L393 A399 | T308-I395 HydrophobicContact CG2-CG2 4.21Å; S391-I395 WeakPolarHBondContact O-CD1 3.48Å; F392-I395 WeakPolarHBondContact O-CB 3.49Å; F392-I395 PolarHBondContact O-N 3.1Å; L393-I395 VanDerWaalsContact C-N 3.3Å; L393-I395 PolarHBondContact O-N 2.98Å; I395-A399 VanDerWaalsContact O-CB 3.3Å; I395-A399 WeakPolarHBondContact O-CB 3.45Å; I395-A399 PolarHBondContact O-N 2.95Å |
| 396 | A | 80.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L304 V364 F392 L393 L400 | L304-A396 HydrophobicContact CD1-CB 3.81Å; L304-A396 HydrophobicContact CD2-CB 4.06Å; V364-A396 HydrophobicContact CG1-CB 4.35Å; F392-A396 PolarHBondContact O-N 3.23Å; L393-A396 PolarHBondContact O-N 2.85Å; A396-L400 VanDerWaalsContact O-CB 3.28Å; A396-L400 WeakPolarHBondContact O-CB 3.4Å; A396-L400 PolarHBondContact O-N 3.29Å |
| 397 | L | 81.2 | Confident | 74.9 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.8 | -45.4 | 176.5 | -72.5 | 173.7 | 0 | 0 | 0 | 112.3 | L393 P394 A399 L400 E401 L479 | L393-L397 HydrophobicContact CD1-CD1 4.34Å; L393-L397 HydrophobicContact CD1-CG 4.35Å; L393-L397 HydrophobicContact CG-CD1 4.03Å; L393-L397 HydrophobicContact CG-CG 4.44Å; L393-L397 WeakPolarHBondContact O-CB 3.41Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 2.74Å; P394-L397 PolarHBondContact O-N 3.22Å; L397-A399 VanDerWaalsContact C-N 3.33Å; L397-A399 PolarHBondContact O-N 3.22Å; L397-L400 PolarHBondContact O-N 3.35Å; L397-E401 WeakPolarHBondContact O-CB 3.35Å; L397-E401 WeakPolarHBondContact O-CG 3.07Å; L397-E401 PolarHBondContact O-N 3.4Å; L397-L479 HydrophobicContact CD2-CD1 3.73Å; L397-L479 HydrophobicContact CD2-CD2 4.19Å; L397-L479 HydrophobicContact CD2-CG 4.1Å |
| 398 | E | 84.6 | Confident | 77.1 | Confident | 129 Ų | 129 | 48.4 Ų | 48.4 | 60% | 0.603 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59 | -47.4 | 175 | -176.1 | 174.6 | -171.2 | 0 | 0 | 110.5 | P394 L400 E401 D402 | P394-E398 WeakPolarHBondContact O-CB 3.45Å; P394-E398 PolarHBondContact O-N 3.46Å; E398-L400 VanDerWaalsContact C-N 3.33Å; E398-L400 PolarHBondContact O-N 3.23Å; E398-E401 PolarHBondContact O-N 3.39Å; E398-D402 PolarHBondContact O-N 3.32Å |
| 399 | A | 86.1 | Confident | 79.1 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T308 L361 I395 L397 R403 | T308-A399 HydrophobicContact CG2-CB 4.22Å; L361-A399 HydrophobicContact CD1-CB 4.18Å; L361-A399 HydrophobicContact CD2-CB 4.21Å; I395-A399 VanDerWaalsContact O-CB 3.3Å; I395-A399 WeakPolarHBondContact O-CB 3.45Å; I395-A399 PolarHBondContact O-N 2.95Å; L397-A399 VanDerWaalsContact C-N 3.33Å; L397-A399 PolarHBondContact O-N 3.22Å; A399-R403 WeakPolarHBondContact O-CD 3.42Å; A399-R403 PolarHBondContact O-N 3.45Å; A399-R403 PolarHBondContact O-NH1 3.48Å; A399-R403 VanDerWaalsContact O-NH1 3.08Å |
| 400 | L | 87.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.9 | 178.5 | 66.9 | 0 | 0 | 0 | 111.8 | L361 L362 A396 L397 E398 D402 R403 L404 F425 Y429 L432 | L361-L400 HydrophobicContact CB-CB 4.35Å; L361-L400 HydrophobicContact CB-CD1 3.92Å; L362-L400 HydrophobicContact CD1-CD2 4.42Å; A396-L400 VanDerWaalsContact O-CB 3.28Å; A396-L400 WeakPolarHBondContact O-CB 3.4Å; A396-L400 PolarHBondContact O-N 3.29Å; L397-L400 PolarHBondContact O-N 3.35Å; E398-L400 VanDerWaalsContact C-N 3.33Å; E398-L400 PolarHBondContact O-N 3.23Å; L400-D402 VanDerWaalsContact C-N 3.33Å; L400-D402 PolarHBondContact O-N 2.86Å; L400-R403 PolarHBondContact O-N 3.5Å; L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.43Å; L400-L404 PolarHBondContact O-N 3.19Å; L400-F425 HydrophobicContact CD1-CE2 3.68Å; L400-F425 HydrophobicContact CD1-CZ 3.84Å; L400-Y429 HydrophobicContact CD2-CD2 4Å; L400-Y429 HydrophobicContact CD2-CE2 3.9Å; L400-Y429 HydrophobicContact CG-CD2 4.38Å; L400-Y429 HydrophobicContact CG-CE2 4.36Å; L400-L432 HydrophobicContact CD2-CD2 4.46Å |
| 401 | E | 86 | Confident | 83.1 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -34.4 | -177.7 | -72.7 | -178.9 | -173.9 | 0 | 0 | 112.2 | L397 E398 L404 N405 R485 | L397-E401 WeakPolarHBondContact O-CB 3.35Å; L397-E401 WeakPolarHBondContact O-CG 3.07Å; L397-E401 PolarHBondContact O-N 3.4Å; E398-E401 PolarHBondContact O-N 3.39Å; E401-L404 WeakPolarHBondContact O-CB 3.25Å; E401-L404 PolarHBondContact O-N 3.08Å; E401-N405 PolarHBondContact O-N 3.47Å; E401-N405 PolarHBondContact O-ND2 3.2Å; E401-N405 VanDerWaalsContact O-ND2 3.12Å; E401-R485 IonicContact OE1-CZ 2.63Å; E401-R485 VanDerWaalsContact OE1-CZ 3.24Å; E401-R485 IonicContact OE1-NE 3.64Å; E401-R485 PolarHBondContact OE1-NE 3.32Å; E401-R485 IonicContact OE1-NH2 2.65Å; E401-R485 PolarHBondContact OE1-NH2 2.92Å |
| 402 | D | 86.4 | Confident | 84.5 | Confident | 70 Ų | 70 | 37.8 Ų | 37.8 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 172.3 | -77.2 | -17.3 | 0 | 0 | 0 | 112.6 | E398 L400 L404 N405 V406 | E398-D402 PolarHBondContact O-N 3.32Å; L400-D402 VanDerWaalsContact C-N 3.33Å; L400-D402 PolarHBondContact O-N 2.86Å; D402-L404 VanDerWaalsContact C-N 3.31Å; D402-N405 PolarHBondContact O-N 2.97Å; D402-V406 PolarHBondContact O-N 2.92Å |
| 403 | R | 89.6 | Confident | 85.3 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 2% | 0.023 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.9 | -31.8 | -178 | -78.6 | 75.5 | -177.3 | 169.2 | -22.4 | 110.2 | W311 M357 A399 L400 N405 V406 A407 | W311-R403 VanDerWaalsContact CD2-CZ 3.4Å; W311-R403 VanDerWaalsContact CE2-CZ 3.47Å; W311-R403 HydrophobicContact CH2-CG 4.18Å; W311-R403 HydrophobicContact CZ2-CG 4.45Å; W311-R403 HydrophobicContact CZ3-CG 4.33Å; M357-R403 HydrophobicContact CB-CG 4.49Å; A399-R403 WeakPolarHBondContact O-CD 3.42Å; A399-R403 PolarHBondContact O-N 3.45Å; A399-R403 PolarHBondContact O-NH1 3.48Å; A399-R403 VanDerWaalsContact O-NH1 3.08Å; L400-R403 PolarHBondContact O-N 3.5Å; R403-N405 VanDerWaalsContact C-N 3.34Å; R403-V406 PolarHBondContact O-N 2.86Å; R403-A407 WeakPolarHBondContact O-CB 3.15Å; R403-A407 PolarHBondContact O-N 3.45Å |
| 404 | L | 89.2 | Confident | 85.8 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | 172.1 | -172.7 | 70.5 | 0 | 0 | 0 | 111.6 | L400 E401 D402 V406 A407 V408 F425 L426 Y429 F488 | L400-L404 VanDerWaalsContact O-CB 3.28Å; L400-L404 WeakPolarHBondContact O-CB 3.43Å; L400-L404 PolarHBondContact O-N 3.19Å; E401-L404 WeakPolarHBondContact O-CB 3.25Å; E401-L404 PolarHBondContact O-N 3.08Å; D402-L404 VanDerWaalsContact C-N 3.31Å; L404-V406 VanDerWaalsContact C-N 3.31Å; L404-V406 PolarHBondContact O-N 3.3Å; L404-A407 PolarHBondContact O-N 3.15Å; L404-V408 WeakPolarHBondContact O-CG2 3.43Å; L404-V408 PolarHBondContact O-N 2.84Å; L404-F425 HydrophobicContact CB-CE1 4.4Å; L404-F425 HydrophobicContact CB-CZ 4.18Å; L404-F425 HydrophobicContact CD1-CE1 4.12Å; L404-F425 HydrophobicContact CD1-CZ 3.94Å; L404-L426 HydrophobicContact CD1-CD2 3.96Å; L404-Y429 HydrophobicContact CD1-CD1 3.78Å; L404-Y429 HydrophobicContact CD1-CD2 4.31Å; L404-Y429 HydrophobicContact CD1-CE1 4.25Å; L404-Y429 HydrophobicContact CD1-CG 3.81Å; L404-Y429 HydrophobicContact CD2-CD1 3.8Å; L404-Y429 HydrophobicContact CD2-CD2 4.27Å; L404-Y429 HydrophobicContact CD2-CE1 3.35Å; L404-Y429 HydrophobicContact CD2-CE2 3.9Å; L404-Y429 HydrophobicContact CD2-CG 4.23Å; L404-Y429 VanDerWaalsContact CD2-CZ 3.41Å; L404-Y429 HydrophobicContact CG-CD1 4.45Å; L404-Y429 HydrophobicContact CG-CE1 4.43Å; L404-F488 HydrophobicContact CD1-CD2 4.32Å; L404-F488 HydrophobicContact CD1-CE1 4.44Å; L404-F488 HydrophobicContact CD1-CE2 3.41Å; L404-F488 VanDerWaalsContact CD1-CE2 3.41Å; L404-F488 HydrophobicContact CD1-CZ 3.51Å; L404-F488 HydrophobicContact CD2-CD1 4.17Å; L404-F488 HydrophobicContact CD2-CD2 3.52Å; L404-F488 HydrophobicContact CD2-CE1 4.16Å; L404-F488 HydrophobicContact CD2-CE2 3.46Å; L404-F488 VanDerWaalsContact CD2-CE2 3.46Å; L404-F488 HydrophobicContact CD2-CG 3.89Å; L404-F488 HydrophobicContact CD2-CZ 3.83Å; L404-F488 HydrophobicContact CG-CD2 3.67Å; L404-F488 HydrophobicContact CG-CE2 3.22Å; L404-F488 HydrophobicContact CG-CZ 3.79Å |
| 405 | N | 87.4 | Confident | 86.1 | Confident | 79 Ų | 79 | 39.4 Ų | 39.4 | 42% | 0.422 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61 | -39.7 | 176.5 | -79.6 | -45.7 | 0 | 0 | 0 | 112.5 | E401 D402 R403 R409 | E401-N405 PolarHBondContact O-N 3.47Å; E401-N405 PolarHBondContact O-ND2 3.2Å; E401-N405 VanDerWaalsContact O-ND2 3.12Å; D402-N405 PolarHBondContact O-N 2.97Å; R403-N405 VanDerWaalsContact C-N 3.34Å; N405-R409 PolarHBondContact O-N 3.17Å |
| 406 | V | 88.2 | Confident | 86.3 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -45.5 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | W311 I319 M328 F350 I354 D402 R403 L404 V408 R409 L410 | W311-V406 HydrophobicContact CH2-CG2 4.44Å; I319-V406 HydrophobicContact CD1-CG2 4.49Å; M328-V406 HydrophobicContact CE-CG1 3.79Å; M328-V406 HydrophobicContact CE-CG2 4.37Å; F350-V406 HydrophobicContact CE1-CG1 3.91Å; F350-V406 HydrophobicContact CZ-CG1 4.17Å; I354-V406 HydrophobicContact CD1-CB 4.46Å; I354-V406 HydrophobicContact CD1-CG1 3.88Å; I354-V406 HydrophobicContact CG1-CG1 3.83Å; I354-V406 HydrophobicContact CG2-CB 4.42Å; I354-V406 HydrophobicContact CG2-CG1 4.22Å; D402-V406 PolarHBondContact O-N 2.92Å; R403-V406 PolarHBondContact O-N 2.86Å; L404-V406 VanDerWaalsContact C-N 3.31Å; L404-V406 PolarHBondContact O-N 3.3Å; V406-V408 VanDerWaalsContact C-N 3.32Å; V406-V408 PolarHBondContact O-N 3.16Å; V406-R409 WeakPolarHBondContact O-CB 3.48Å; V406-R409 PolarHBondContact O-N 2.96Å; V406-R409 VanDerWaalsContact O-N 3.13Å; V406-L410 HydrophobicContact CG1-CD1 4.01Å; V406-L410 HydrophobicContact CG1-CG 4.46Å; V406-L410 WeakPolarHBondContact O-CG 3.5Å; V406-L410 PolarHBondContact O-N 3.16Å |
| 407 | A | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.8 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I354 R403 L404 L410 F411 V422 F425 L426 | I354-A407 HydrophobicContact CG2-CB 3.98Å; R403-A407 WeakPolarHBondContact O-CB 3.15Å; R403-A407 PolarHBondContact O-N 3.45Å; L404-A407 PolarHBondContact O-N 3.15Å; A407-L410 PolarHBondContact O-N 3.36Å; A407-F411 WeakPolarHBondContact O-CB 3.36Å; A407-F411 PolarHBondContact O-N 2.93Å; A407-V422 HydrophobicContact CB-CB 4.36Å; A407-V422 HydrophobicContact CB-CG1 4.46Å; A407-F425 HydrophobicContact CB-CD1 3.63Å; A407-F425 HydrophobicContact CB-CE1 3.72Å; A407-L426 HydrophobicContact CB-CD2 4.17Å |
| 408 | V | 88.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | L404 V406 F411 E412 L426 F488 R491 | L404-V408 WeakPolarHBondContact O-CG2 3.43Å; L404-V408 PolarHBondContact O-N 2.84Å; V406-V408 VanDerWaalsContact C-N 3.32Å; V406-V408 PolarHBondContact O-N 3.16Å; V408-F411 WeakPolarHBondContact O-CB 3.39Å; V408-F411 PolarHBondContact O-N 3.2Å; V408-E412 WeakPolarHBondContact O-CG 3.49Å; V408-E412 PolarHBondContact O-N 3.11Å; V408-L426 HydrophobicContact CG2-CD2 4.05Å; V408-F488 HydrophobicContact CG2-CD2 3.66Å; V408-F488 HydrophobicContact CG2-CE2 3.17Å; V408-F488 HydrophobicContact CG2-CZ 4.18Å; V408-R491 HydrophobicContact CG1-CG 4.14Å |
| 409 | R | 86.7 | Confident | 87 | Confident | 90 Ų | 90 | 35.9 Ų | 35.9 | 34% | 0.34 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.2 | -72.5 | -71.6 | 172 | 111.1 | 5.2 | 110.1 | F327 M328 N405 V406 F411 E412 H413 | F327-R409 HydrophobicContact CE1-CB 4.29Å; F327-R409 WeakPolarHBondContact CE1-O 3.35Å; F327-R409 WeakPolarHBondContact CZ-O 3.47Å; M328-R409 PolarHBondContact O-NH1 3.48Å; N405-R409 PolarHBondContact O-N 3.17Å; V406-R409 WeakPolarHBondContact O-CB 3.48Å; V406-R409 PolarHBondContact O-N 2.96Å; V406-R409 VanDerWaalsContact O-N 3.13Å; R409-F411 VanDerWaalsContact C-N 3.26Å; R409-F411 PolarHBondContact O-N 3.43Å; R409-E412 WeakPolarHBondContact O-CB 3.42Å; R409-E412 PolarHBondContact O-N 3.3Å; R409-E412 VanDerWaalsContact O-N 3.09Å; R409-H413 PolarHBondContact O-N 2.85Å |
| 410 | L | 88.8 | Confident | 87.2 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.5 | -37.8 | 176.3 | -67.6 | 168.4 | 0 | 0 | 0 | 112.1 | L347 F350 A351 I354 V406 A407 E412 H413 I418 V422 | L347-L410 HydrophobicContact CD1-CD2 3.77Å; F350-L410 HydrophobicContact CD1-CD1 4.09Å; F350-L410 HydrophobicContact CD1-CD2 4.17Å; F350-L410 HydrophobicContact CE1-CD1 4.08Å; F350-L410 HydrophobicContact CE1-CD2 4.43Å; A351-L410 HydrophobicContact CB-CD1 4Å; I354-L410 HydrophobicContact CB-CD1 4.23Å; I354-L410 HydrophobicContact CG1-CD1 4.11Å; I354-L410 HydrophobicContact CG2-CD1 4.43Å; V406-L410 HydrophobicContact CG1-CD1 4.01Å; V406-L410 HydrophobicContact CG1-CG 4.46Å; V406-L410 WeakPolarHBondContact O-CG 3.5Å; V406-L410 PolarHBondContact O-N 3.16Å; A407-L410 PolarHBondContact O-N 3.36Å; L410-E412 VanDerWaalsContact C-N 3.33Å; L410-E412 PolarHBondContact O-N 3.14Å; L410-H413 WeakPolarHBondContact O-CB 3.48Å; L410-H413 PolarHBondContact O-N 3.12Å; L410-I418 HydrophobicContact CB-CG2 4.24Å; L410-I418 HydrophobicContact CD2-CG2 4.2Å; L410-V422 HydrophobicContact CB-CG1 4.05Å; L410-V422 HydrophobicContact CB-CG2 4.42Å; L410-V422 HydrophobicContact CD1-CG1 4.02Å |
| 411 | F | 90.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -34 | 175.4 | -175.5 | -96.9 | 0 | 0 | 0 | 113.6 | A407 V408 R409 H413 S419 V422 L426 L492 A495 K499 L523 L526 | A407-F411 WeakPolarHBondContact O-CB 3.36Å; A407-F411 PolarHBondContact O-N 2.93Å; V408-F411 WeakPolarHBondContact O-CB 3.39Å; V408-F411 PolarHBondContact O-N 3.2Å; R409-F411 VanDerWaalsContact C-N 3.26Å; R409-F411 PolarHBondContact O-N 3.43Å; F411-H413 PolarHBondContact O-N 3.12Å; F411-S419 WeakPolarHBondContact CD2-O 3.47Å; F411-S419 WeakPolarHBondContact O-CB 3.34Å; F411-V422 HydrophobicContact CB-CG2 3.81Å; F411-V422 HydrophobicContact CD2-CG2 4.19Å; F411-L426 HydrophobicContact CB-CD1 3.82Å; F411-L426 HydrophobicContact CD1-CD1 4.47Å; F411-L426 HydrophobicContact CD2-CD1 3.67Å; F411-L426 HydrophobicContact CE2-CD1 4.35Å; F411-L426 HydrophobicContact CG-CD1 3.73Å; F411-L492 HydrophobicContact CD1-CD1 3.89Å; F411-L492 HydrophobicContact CE1-CD1 3.9Å; F411-L492 HydrophobicContact CG-CD1 4.48Å; F411-A495 HydrophobicContact CD1-CB 3.83Å; F411-A495 HydrophobicContact CE1-CB 3.91Å; F411-K499 WeakPolarHBondContact O-CE 3.4Å; F411-L523 HydrophobicContact CE2-CD2 4.07Å; F411-L523 HydrophobicContact CZ-CD2 3.49Å; F411-L523 VanDerWaalsContact CZ-CD2 3.49Å; F411-L526 HydrophobicContact CE2-CD1 3.9Å; F411-L526 HydrophobicContact CZ-CD1 3.86Å |
| 412 | E | 87.8 | Confident | 87.7 | Confident | 66 Ų | 66 | 38.1 Ų | 38.1 | 31% | 0.308 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9 | 175.6 | -72.4 | 165.9 | 178.5 | 0 | 0 | 113.1 | V408 R409 L410 R491 A495 | V408-E412 WeakPolarHBondContact O-CG 3.49Å; V408-E412 PolarHBondContact O-N 3.11Å; R409-E412 WeakPolarHBondContact O-CB 3.42Å; R409-E412 PolarHBondContact O-N 3.3Å; R409-E412 VanDerWaalsContact O-N 3.09Å; L410-E412 VanDerWaalsContact C-N 3.33Å; L410-E412 PolarHBondContact O-N 3.14Å; E412-R491 IonicContact OE1-CZ 3.84Å; E412-R491 IonicContact OE1-NE 2.91Å; E412-R491 PolarHBondContact OE1-NE 2.84Å; E412-R491 IonicContact OE1-NH2 2.86Å; E412-R491 PolarHBondContact OE1-NH2 3.42Å; E412-R491 VanDerWaalsContact OE1-NH2 3.08Å; E412-R491 IonicContact OE2-CZ 2.69Å; E412-R491 IonicContact OE2-NE 2.63Å; E412-R491 IonicContact OE2-NH2 3.45Å; E412-R491 PolarHBondContact OE2-NH2 3.48Å; E412-A495 HydrophobicContact CG-CB 3.72Å |
| 413 | H | 85.6 | Confident | 88 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -62.5 | 139.2 | -179.4 | -172.2 | -84.8 | 0 | 0 | 0 | 112 | F327 R409 L410 F411 E415 I418 K499 | F327-H413 AromaticContact CD2-CD2 3.74Å; F327-H413 HydrophobicContact CE1-CB 4.37Å; F327-H413 HydrophobicContact CE2-CB 4.08Å; F327-H413 AromaticContact CE2-CD2 3.62Å; F327-H413 VanDerWaalsContact CZ-CA 3.5Å; F327-H413 HydrophobicContact CZ-CB 3.75Å; F327-H413 AromaticContact CZ-CD2 3.98Å; R409-H413 PolarHBondContact O-N 2.85Å; L410-H413 WeakPolarHBondContact O-CB 3.48Å; L410-H413 PolarHBondContact O-N 3.12Å; F411-H413 PolarHBondContact O-N 3.12Å; H413-E415 WeakPolarHBondContact ND1-CB 3.24Å; H413-E415 PolarHBondContact ND1-N 3.23Å; H413-E415 PolarHBondContact O-N 3.08Å; H413-I418 HydrophobicContact CB-CB 4.37Å; H413-I418 HydrophobicContact CB-CG2 4.04Å; H413-I418 VanDerWaalsContact CE1-CD1 3.41Å; H413-I418 WeakPolarHBondContact CE1-CD1 3.45Å; H413-I418 WeakPolarHBondContact ND1-CD1 3.42Å; H413-K499 WeakPolarHBondContact O-CE 3.49Å; H413-K499 PolarHBondContact O-NZ 2.89Å |
| 414 | K | 80.7 | Confident | 88.1 | Confident | 120 Ų | 120 | 36.8 Ų | 36.8 | 52% | 0.522 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -56.4 | -44.6 | -175.3 | -69.6 | -172.6 | -177.1 | -179.7 | 0 | 113.5 | D334 D337 K499 | D334-K414 IonicContact OD1-NZ 2.94Å; D337-K414 IonicContact OD1-NZ 2.66Å; K414-K499 PolarHBondContact O-NZ 3.07Å |
| 415 | E | 81.6 | Confident | 88.3 | Confident | 92 Ų | 92 | 36.6 Ų | 36.6 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -66 | 128.9 | 179.1 | -66.6 | -63 | 153.3 | 0 | 0 | 113.6 | L344 H413 Q417 I418 | L344-E415 HydrophobicContact CD1-CB 4.26Å; L344-E415 HydrophobicContact CD1-CG 3.95Å; H413-E415 WeakPolarHBondContact ND1-CB 3.24Å; H413-E415 PolarHBondContact ND1-N 3.23Å; H413-E415 PolarHBondContact O-N 3.08Å; E415-Q417 PolarHBondContact O-N 3.07Å; E415-I418 HydrophobicContact CB-CD1 4.22Å; E415-I418 PolarHBondContact O-N 2.79Å |
| 416 | Q | 84.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 32.9 Ų | 32.9 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | -177.8 | 176.6 | 171.6 | -38.4 | 0 | 0 | 112.4 | I418 S419 Q420 Y519 | Q416-I418 PolarHBondContact O-N 3.41Å; Q416-S419 WeakPolarHBondContact CA-OG 3.5Å; Q416-S419 PolarHBondContact O-N 3.41Å; Q416-S419 VanDerWaalsContact O-N 3.1Å; Q416-S419 PolarHBondContact O-OG 2.94Å; Q416-Q420 HydrophobicContact CG-CG 4.01Å; Q416-Q420 WeakPolarHBondContact O-CG 3.09Å; Q416-Q420 PolarHBondContact O-N 3.29Å; Q416-Y519 HydrophobicContact CG-CD1 3.73Å; Q416-Y519 HydrophobicContact CG-CE1 4Å; Q416-Y519 HydrophobicContact CG-CG 4.02Å |
| 417 | Q | 84.9 | Confident | 88.7 | Confident | 113 Ų | 113 | 35.6 Ų | 35.6 | 53% | 0.528 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.8 | -36.8 | -177.3 | -64.6 | -179.2 | -5.9 | 0 | 0 | 112.6 | E415 V421 | E415-Q417 PolarHBondContact O-N 3.07Å; Q417-V421 VanDerWaalsContact O-CG2 3.25Å; Q417-V421 WeakPolarHBondContact O-CG2 3.26Å |
| 418 | I | 87.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.2 | -43.4 | 179 | -65.9 | 162.7 | 0 | 0 | 0 | 110.9 | L344 L347 A351 L410 H413 E415 Q416 Q420 V421 | L344-I418 HydrophobicContact CD1-CD1 3.56Å; L344-I418 HydrophobicContact CD1-CG1 4.27Å; L347-I418 HydrophobicContact CB-CD1 4.2Å; L347-I418 HydrophobicContact CD2-CD1 3.37Å; L347-I418 HydrophobicContact CD2-CG1 4.43Å; L347-I418 HydrophobicContact CG-CD1 3.64Å; L347-I418 HydrophobicContact CG-CG1 4.21Å; L347-I418 HydrophobicContact CG-CG2 4.46Å; A351-I418 HydrophobicContact CB-CG2 4.4Å; L410-I418 HydrophobicContact CB-CG2 4.24Å; L410-I418 HydrophobicContact CD2-CG2 4.2Å; H413-I418 HydrophobicContact CB-CB 4.37Å; H413-I418 HydrophobicContact CB-CG2 4.04Å; H413-I418 VanDerWaalsContact CE1-CD1 3.41Å; H413-I418 WeakPolarHBondContact CE1-CD1 3.45Å; H413-I418 WeakPolarHBondContact ND1-CD1 3.42Å; E415-I418 HydrophobicContact CB-CD1 4.22Å; E415-I418 PolarHBondContact O-N 2.79Å; Q416-I418 PolarHBondContact O-N 3.41Å; I418-Q420 VanDerWaalsContact C-N 3.35Å; I418-Q420 PolarHBondContact O-N 3.24Å; I418-V421 PolarHBondContact O-N 2.94Å |
| 419 | S | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -35.2 | 179.9 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | F411 Q416 V422 T423 Y519 | F411-S419 WeakPolarHBondContact CD2-O 3.47Å; F411-S419 WeakPolarHBondContact O-CB 3.34Å; Q416-S419 WeakPolarHBondContact CA-OG 3.5Å; Q416-S419 PolarHBondContact O-N 3.41Å; Q416-S419 VanDerWaalsContact O-N 3.1Å; Q416-S419 PolarHBondContact O-OG 2.94Å; S419-V422 WeakPolarHBondContact O-CG2 3.5Å; S419-T423 PolarHBondContact O-OG1 3.42Å; S419-Y519 VanDerWaalsContact CB-OH 3.28Å; S419-Y519 WeakPolarHBondContact CB-OH 3.38Å; S419-Y519 PolarHBondContact OG-OH 2.98Å |
| 420 | Q | 90 | Very high | 88.6 | Confident | 63 Ų | 63 | 33.6 Ų | 33.6 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.5 | -78.8 | -178.8 | -20.9 | 0 | 0 | 112.1 | Q416 I418 V422 T423 P424 Y519 | Q416-Q420 HydrophobicContact CG-CG 4.01Å; Q416-Q420 WeakPolarHBondContact O-CG 3.09Å; Q416-Q420 PolarHBondContact O-N 3.29Å; I418-Q420 VanDerWaalsContact C-N 3.35Å; I418-Q420 PolarHBondContact O-N 3.24Å; Q420-V422 VanDerWaalsContact C-N 3.28Å; Q420-V422 PolarHBondContact O-N 2.94Å; Q420-T423 VanDerWaalsContact O-CB 3.25Å; Q420-T423 WeakPolarHBondContact O-CB 3.49Å; Q420-T423 PolarHBondContact O-N 2.71Å; Q420-P424 WeakPolarHBondContact O-CD 3.35Å; Q420-Y519 HydrophobicContact CG-CD2 3.41Å; Q420-Y519 VanDerWaalsContact CG-CD2 3.41Å; Q420-Y519 HydrophobicContact CG-CE2 3.57Å; Q420-Y519 HydrophobicContact CG-CG 4.19Å |
| 421 | V | 92.1 | Very high | 88.4 | Confident | 35 Ų | 35 | 35.2 Ų | 35.2 | 21% | 0.212 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.5 | -35.9 | -176.1 | 170.2 | 0 | 0 | 0 | 0 | 113.3 | A351 T352 Q417 I418 P424 | A351-V421 VanDerWaalsContact C-CG1 3.46Å; A351-V421 HydrophobicContact CB-CB 4.1Å; A351-V421 HydrophobicContact CB-CG1 3.72Å; T352-V421 VanDerWaalsContact CA-CG1 3.49Å; T352-V421 VanDerWaalsContact N-CG1 3.26Å; T352-V421 VanDerWaalsContact OG1-CG1 3.31Å; T352-V421 WeakPolarHBondContact OG1-CG1 3.38Å; Q417-V421 VanDerWaalsContact O-CG2 3.25Å; Q417-V421 WeakPolarHBondContact O-CG2 3.26Å; I418-V421 PolarHBondContact O-N 2.94Å; V421-P424 WeakPolarHBondContact O-CD 3.5Å |
| 422 | V | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -89.7 | -7.9 | -179.7 | -65 | 0 | 0 | 0 | 0 | 114.1 | A351 A407 L410 F411 S419 Q420 P424 F425 L426 | A351-V422 HydrophobicContact CB-CG1 3.97Å; A407-V422 HydrophobicContact CB-CB 4.36Å; A407-V422 HydrophobicContact CB-CG1 4.46Å; L410-V422 HydrophobicContact CB-CG1 4.05Å; L410-V422 HydrophobicContact CB-CG2 4.42Å; L410-V422 HydrophobicContact CD1-CG1 4.02Å; F411-V422 HydrophobicContact CB-CG2 3.81Å; F411-V422 HydrophobicContact CD2-CG2 4.19Å; S419-V422 WeakPolarHBondContact O-CG2 3.5Å; Q420-V422 VanDerWaalsContact C-N 3.28Å; Q420-V422 PolarHBondContact O-N 2.94Å; V422-P424 VanDerWaalsContact C-CD 3.49Å; V422-F425 PolarHBondContact O-N 3.46Å; V422-L426 HydrophobicContact CG2-CD1 4.28Å; V422-L426 WeakPolarHBondContact O-CG 3.41Å; V422-L426 PolarHBondContact O-N 3.16Å; V422-L426 VanDerWaalsContact O-N 3.15Å |
| 423 | T | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | -178 | -68.5 | 0 | 0 | 0 | 0 | 113.3 | S419 Q420 F425 L426 R427 E522 L526 | S419-T423 PolarHBondContact O-OG1 3.42Å; Q420-T423 VanDerWaalsContact O-CB 3.25Å; Q420-T423 WeakPolarHBondContact O-CB 3.49Å; Q420-T423 PolarHBondContact O-N 2.71Å; T423-F425 PolarHBondContact O-N 2.94Å; T423-L426 PolarHBondContact O-N 3.27Å; T423-R427 VanDerWaalsContact O-CB 3.25Å; T423-R427 WeakPolarHBondContact O-CB 3.27Å; T423-R427 PolarHBondContact O-N 3.1Å; T423-E522 HydrophobicContact CG2-CB 4.38Å; T423-L526 HydrophobicContact CG2-CD1 4.08Å; T423-L526 HydrophobicContact CG2-CG 4.39Å |
| 424 | P | 91.6 | Very high | 87.4 | Confident | 49 Ų | 49 | 34.2 Ų | 34.2 | 32% | 0.318 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 176 | -24.7 | 35 | 0 | 0 | 0 | 113.4 | Q420 V421 V422 R427 S428 | Q420-P424 WeakPolarHBondContact O-CD 3.35Å; V421-P424 WeakPolarHBondContact O-CD 3.5Å; V422-P424 VanDerWaalsContact C-CD 3.49Å; P424-R427 PolarHBondContact O-N 3.47Å; P424-S428 WeakPolarHBondContact O-CB 3.29Å; P424-S428 PolarHBondContact O-N 2.72Å; P424-S428 PolarHBondContact O-OG 3.47Å |
| 425 | F | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 175.5 | 171.1 | -139.9 | 0 | 0 | 0 | 112.1 | D355 G358 L400 L404 A407 V422 T423 R427 S428 Y429 | D355-F425 HydrophobicContact CB-CB 4.34Å; D355-F425 WeakPolarHBondContact OD1-CA 3.3Å; D355-F425 WeakPolarHBondContact OD1-CB 3.06Å; D355-F425 PolarHBondContact OD1-N 2.61Å; G358-F425 VanDerWaalsContact C-CD2 3.44Å; G358-F425 VanDerWaalsContact C-CE2 3.4Å; G358-F425 VanDerWaalsContact CA-CZ 3.47Å; L400-F425 HydrophobicContact CD1-CE2 3.68Å; L400-F425 HydrophobicContact CD1-CZ 3.84Å; L404-F425 HydrophobicContact CB-CE1 4.4Å; L404-F425 HydrophobicContact CB-CZ 4.18Å; L404-F425 HydrophobicContact CD1-CE1 4.12Å; L404-F425 HydrophobicContact CD1-CZ 3.94Å; A407-F425 HydrophobicContact CB-CD1 3.63Å; A407-F425 HydrophobicContact CB-CE1 3.72Å; V422-F425 PolarHBondContact O-N 3.46Å; T423-F425 PolarHBondContact O-N 2.94Å; F425-R427 VanDerWaalsContact C-N 3.31Å; F425-R427 PolarHBondContact O-N 3.15Å; F425-S428 PolarHBondContact O-N 3.06Å; F425-Y429 WeakPolarHBondContact O-CB 3.42Å; F425-Y429 PolarHBondContact O-N 3.47Å |
| 426 | L | 92.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 178 | -65.9 | 173 | 0 | 0 | 0 | 111.7 | L404 A407 V408 F411 V422 T423 Y429 L430 F488 L492 L526 | L404-L426 HydrophobicContact CD1-CD2 3.96Å; A407-L426 HydrophobicContact CB-CD2 4.17Å; V408-L426 HydrophobicContact CG2-CD2 4.05Å; F411-L426 HydrophobicContact CB-CD1 3.82Å; F411-L426 HydrophobicContact CD1-CD1 4.47Å; F411-L426 HydrophobicContact CD2-CD1 3.67Å; F411-L426 HydrophobicContact CE2-CD1 4.35Å; F411-L426 HydrophobicContact CG-CD1 3.73Å; V422-L426 HydrophobicContact CG2-CD1 4.28Å; V422-L426 WeakPolarHBondContact O-CG 3.41Å; V422-L426 PolarHBondContact O-N 3.16Å; V422-L426 VanDerWaalsContact O-N 3.15Å; T423-L426 PolarHBondContact O-N 3.27Å; L426-Y429 PolarHBondContact O-N 2.91Å; L426-L430 WeakPolarHBondContact O-CG 3.49Å; L426-L430 PolarHBondContact O-N 3.23Å; L426-F488 HydrophobicContact CD2-CE2 4.18Å; L426-F488 HydrophobicContact CD2-CZ 4.01Å; L426-L492 HydrophobicContact CD1-CD1 3.95Å; L426-L526 HydrophobicContact CB-CD2 4.37Å |
| 427 | R | 90.9 | Very high | 84.5 | Confident | 70 Ų | 70 | 27.7 Ų | 27.7 | 26% | 0.264 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.7 | -174 | -175.9 | -64 | 139.1 | -3.3 | 111.6 | T423 P424 F425 L430 G431 E522 L526 | T423-R427 VanDerWaalsContact O-CB 3.25Å; T423-R427 WeakPolarHBondContact O-CB 3.27Å; T423-R427 PolarHBondContact O-N 3.1Å; P424-R427 PolarHBondContact O-N 3.47Å; F425-R427 VanDerWaalsContact C-N 3.31Å; F425-R427 PolarHBondContact O-N 3.15Å; R427-L430 PolarHBondContact O-N 2.91Å; R427-G431 PolarHBondContact O-N 3.03Å; R427-E522 IonicContact CZ-OE1 3.38Å; R427-E522 IonicContact NH1-OE1 2.82Å; R427-E522 IonicContact NH2-OE1 3.25Å; R427-E522 PolarHBondContact NH2-OE1 3.02Å; R427-L526 HydrophobicContact CB-CD2 3.9Å |
| 428 | S | 88.6 | Confident | 82.8 | Confident | 46 Ų | 46 | 27.5 Ų | 27.5 | 32% | 0.322 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 180 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | P424 F425 G431 L432 | P424-S428 WeakPolarHBondContact O-CB 3.29Å; P424-S428 PolarHBondContact O-N 2.72Å; P424-S428 PolarHBondContact O-OG 3.47Å; F425-S428 PolarHBondContact O-N 3.06Å; S428-G431 WeakPolarHBondContact O-CA 3.38Å; S428-G431 PolarHBondContact O-N 3.19Å; S428-L432 PolarHBondContact O-N 2.95Å |
| 429 | Y | 89.1 | Confident | 80.2 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 172.6 | -178.3 | -99.6 | 0 | 0 | 0 | 112.9 | L362 L400 L404 F425 L426 G431 L432 L433 F488 | L362-Y429 HydrophobicContact CD1-CD2 4.12Å; L400-Y429 HydrophobicContact CD2-CD2 4Å; L400-Y429 HydrophobicContact CD2-CE2 3.9Å; L400-Y429 HydrophobicContact CG-CD2 4.38Å; L400-Y429 HydrophobicContact CG-CE2 4.36Å; L404-Y429 HydrophobicContact CD1-CD1 3.78Å; L404-Y429 HydrophobicContact CD1-CD2 4.31Å; L404-Y429 HydrophobicContact CD1-CE1 4.25Å; L404-Y429 HydrophobicContact CD1-CG 3.81Å; L404-Y429 HydrophobicContact CD2-CD1 3.8Å; L404-Y429 HydrophobicContact CD2-CD2 4.27Å; L404-Y429 HydrophobicContact CD2-CE1 3.35Å; L404-Y429 HydrophobicContact CD2-CE2 3.9Å; L404-Y429 HydrophobicContact CD2-CG 4.23Å; L404-Y429 VanDerWaalsContact CD2-CZ 3.41Å; L404-Y429 HydrophobicContact CG-CD1 4.45Å; L404-Y429 HydrophobicContact CG-CE1 4.43Å; F425-Y429 WeakPolarHBondContact O-CB 3.42Å; F425-Y429 PolarHBondContact O-N 3.47Å; L426-Y429 PolarHBondContact O-N 2.91Å; Y429-G431 PolarHBondContact O-N 3.26Å; Y429-L432 WeakPolarHBondContact O-CB 3.48Å; Y429-L432 PolarHBondContact O-N 2.93Å; Y429-L432 VanDerWaalsContact O-N 3.14Å; Y429-L433 HydrophobicContact CD1-CD1 4.11Å; Y429-L433 HydrophobicContact CD1-CG 4.45Å; Y429-L433 HydrophobicContact CE1-CD1 3.51Å; Y429-L433 HydrophobicContact CE1-CD2 4.5Å; Y429-L433 HydrophobicContact CE1-CG 3.98Å; Y429-L433 PolarHBondContact O-N 3.37Å; Y429-F488 HydrophobicContact CD1-CD1 4.34Å; Y429-F488 AromaticContact CD1-CE1 3.6Å; Y429-F488 HydrophobicContact CD1-CE1 3.6Å; Y429-F488 AromaticContact CD1-CZ 3.88Å; Y429-F488 HydrophobicContact CD1-CZ 3.88Å; Y429-F488 AromaticContact CE1-CD1 3.8Å; Y429-F488 HydrophobicContact CE1-CD1 3.8Å; Y429-F488 AromaticContact CE1-CE1 3.52Å; Y429-F488 HydrophobicContact CE1-CE1 3.52Å; Y429-F488 HydrophobicContact CE1-CZ 4.09Å |
| 430 | L | 87.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -36.5 | 172.5 | -69.5 | 172.9 | 0 | 0 | 0 | 111.6 | L426 R427 L433 K434 F488 V489 L492 L526 N529 I530 L533 | L426-L430 WeakPolarHBondContact O-CG 3.49Å; L426-L430 PolarHBondContact O-N 3.23Å; R427-L430 PolarHBondContact O-N 2.91Å; L430-L433 PolarHBondContact O-N 2.96Å; L430-K434 VanDerWaalsContact O-CG 3.25Å; L430-K434 WeakPolarHBondContact O-CG 3.5Å; L430-K434 PolarHBondContact O-N 3.35Å; L430-F488 HydrophobicContact CD2-CE1 4.39Å; L430-V489 HydrophobicContact CD2-CG2 4.35Å; L430-L492 HydrophobicContact CD1-CD2 3.92Å; L430-L492 HydrophobicContact CD2-CD2 4.38Å; L430-L492 HydrophobicContact CG-CD2 4.33Å; L430-L526 HydrophobicContact CD1-CD2 3.92Å; L430-N529 HydrophobicContact CB-CB 4.02Å; L430-N529 HydrophobicContact CD1-CB 3.96Å; L430-I530 HydrophobicContact CD1-CD1 4.46Å; L430-I530 HydrophobicContact CD1-CG1 3.89Å; L430-I530 HydrophobicContact CD2-CG1 4.01Å; L430-L533 HydrophobicContact CD2-CD1 3.69Å |
| 431 | G | 84.8 | Confident | 74.6 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 36% | 0.361 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R427 S428 Y429 K434 S435 | R427-G431 PolarHBondContact O-N 3.03Å; S428-G431 WeakPolarHBondContact O-CA 3.38Å; S428-G431 PolarHBondContact O-N 3.19Å; Y429-G431 PolarHBondContact O-N 3.26Å; G431-K434 PolarHBondContact O-N 2.94Å; G431-S435 PolarHBondContact O-N 3.04Å; G431-S435 VanDerWaalsContact O-N 3.13Å |
| 432 | L | 82.4 | Confident | 71.5 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 174 | 177.4 | 66.8 | 0 | 0 | 0 | 111.1 | L362 L366 L400 S428 Y429 K434 S435 L479 | L362-L432 HydrophobicContact CD1-CB 3.93Å; L362-L432 HydrophobicContact CD1-CD2 3.57Å; L362-L432 HydrophobicContact CD1-CG 4.36Å; L362-L432 HydrophobicContact CG-CD2 4.24Å; L366-L432 HydrophobicContact CD2-CD1 3.51Å; L366-L432 HydrophobicContact CG-CD1 4.13Å; L400-L432 HydrophobicContact CD2-CD2 4.46Å; S428-L432 PolarHBondContact O-N 2.95Å; Y429-L432 WeakPolarHBondContact O-CB 3.48Å; Y429-L432 PolarHBondContact O-N 2.93Å; Y429-L432 VanDerWaalsContact O-N 3.14Å; L432-K434 VanDerWaalsContact C-N 3.29Å; L432-K434 PolarHBondContact O-N 3.05Å; L432-S435 WeakPolarHBondContact O-CB 3.48Å; L432-S435 PolarHBondContact O-N 2.66Å; L432-S435 VanDerWaalsContact O-N 3.16Å; L432-S435 PolarHBondContact O-OG 3.41Å; L432-L479 HydrophobicContact CD2-CD1 3.97Å; L432-L479 HydrophobicContact CG-CD1 4.33Å |
| 433 | L | 82 | Confident | 68.5 | Low | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59 | -39.3 | 177.3 | -68 | -179.7 | 0 | 0 | 0 | 112.3 | Y429 L430 S435 V436 V437 L479 V489 L533 | Y429-L433 HydrophobicContact CD1-CD1 4.11Å; Y429-L433 HydrophobicContact CD1-CG 4.45Å; Y429-L433 HydrophobicContact CE1-CD1 3.51Å; Y429-L433 HydrophobicContact CE1-CD2 4.5Å; Y429-L433 HydrophobicContact CE1-CG 3.98Å; Y429-L433 PolarHBondContact O-N 3.37Å; L430-L433 PolarHBondContact O-N 2.96Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 2.88Å; L433-V436 WeakPolarHBondContact O-CB 3.24Å; L433-V436 PolarHBondContact O-N 3.33Å; L433-V437 PolarHBondContact O-N 2.94Å; L433-L479 HydrophobicContact CD2-CD2 4.31Å; L433-V489 HydrophobicContact CD1-CG2 4.07Å; L433-L533 HydrophobicContact CB-CD1 4.01Å; L433-L533 HydrophobicContact CB-CD2 3.85Å; L433-L533 HydrophobicContact CD1-CD1 4.17Å |
| 434 | K | 77.4 | Confident | 65.3 | Low | 31 Ų | 31 | 64.9 Ų | 64.9 | 14% | 0.135 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67 | -31.2 | 179.3 | -74.2 | 171.3 | 71.1 | -172 | 0 | 113 | L430 G431 L432 V436 V437 N438 N529 Q532 L533 | L430-K434 VanDerWaalsContact O-CG 3.25Å; L430-K434 WeakPolarHBondContact O-CG 3.5Å; L430-K434 PolarHBondContact O-N 3.35Å; G431-K434 PolarHBondContact O-N 2.94Å; L432-K434 VanDerWaalsContact C-N 3.29Å; L432-K434 PolarHBondContact O-N 3.05Å; K434-V436 PolarHBondContact O-N 3.5Å; K434-V437 PolarHBondContact O-N 3.05Å; K434-N438 PolarHBondContact O-N 3.44Å; K434-N438 PolarHBondContact O-ND2 3.04Å; K434-N529 HydrophobicContact CD-CB 3.97Å; K434-N529 PolarHBondContact NZ-OD1 3.41Å; K434-Q532 HydrophobicContact CD-CB 4.46Å; K434-L533 HydrophobicContact CB-CD2 4.23Å; K434-L533 HydrophobicContact CG-CD1 4.4Å; K434-L533 HydrophobicContact CG-CD2 3.51Å; K434-L533 HydrophobicContact CG-CG 3.74Å |
| 435 | S | 68.8 | Low | 62.2 | Low | 39 Ų | 39 | 70.5 Ų | 70.5 | 27% | 0.273 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -29.7 | 176.2 | 76.2 | 0 | 0 | 0 | 0 | 111.8 | G431 L432 L433 P476 | G431-S435 PolarHBondContact O-N 3.04Å; G431-S435 VanDerWaalsContact O-N 3.13Å; L432-S435 WeakPolarHBondContact O-CB 3.48Å; L432-S435 PolarHBondContact O-N 2.66Å; L432-S435 VanDerWaalsContact O-N 3.16Å; L432-S435 PolarHBondContact O-OG 3.41Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 2.88Å; S435-P476 VanDerWaalsContact O-CG 3.24Å; S435-P476 WeakPolarHBondContact O-CG 3.25Å |
| 436 | V | 60.8 | Low | 59.1 | Low | 30 Ų | 30 | 76 Ų | 76 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -78.2 | -43.4 | 178.5 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | L433 K434 N438 H439 L479 | L433-V436 WeakPolarHBondContact O-CB 3.24Å; L433-V436 PolarHBondContact O-N 3.33Å; K434-V436 PolarHBondContact O-N 3.5Å; V436-N438 VanDerWaalsContact C-N 3.33Å; V436-N438 PolarHBondContact O-N 2.92Å; V436-H439 PolarHBondContact O-N 3.39Å; V436-L479 WeakPolarHBondContact CG1-O 3.41Å; V436-L479 HydrophobicContact CG2-CB 3.77Å |
| 437 | V | 55.8 | Low | 56 | Low | 52 Ų | 52 | 82.6 Ų | 82.6 | 32% | 0.315 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.3 | -28.2 | -175.8 | 179.6 | 0 | 0 | 0 | 0 | 113 | L433 K434 H439 P440 I481 L533 | L433-V437 PolarHBondContact O-N 2.94Å; K434-V437 PolarHBondContact O-N 3.05Å; V437-H439 PolarHBondContact O-N 3.33Å; V437-P440 WeakPolarHBondContact O-CD 3.38Å; V437-I481 HydrophobicContact CG2-CD1 3.5Å; V437-I481 HydrophobicContact CG2-CG1 4.43Å; V437-L533 HydrophobicContact CB-CD2 4.48Å; V437-L533 HydrophobicContact CG2-CD2 3.78Å |
| 438 | N | 49.5 | Very low | 53.1 | Low | 109 Ų | 109 | 82.8 Ų | 82.8 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.8 | -176.9 | -71.3 | -55.1 | 0 | 0 | 0 | 114.4 | K434 V436 | K434-N438 PolarHBondContact O-N 3.44Å; K434-N438 PolarHBondContact O-ND2 3.04Å; V436-N438 VanDerWaalsContact C-N 3.33Å; V436-N438 PolarHBondContact O-N 2.92Å |
| 439 | H | 34.3 | Very low | 50 | Low | 139 Ų | 139 | 85 Ų | 85 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | trans | -129.8 | 83 | 174.9 | -77.8 | -67.3 | 0 | 0 | 0 | 112.7 | V436 V437 | V436-H439 PolarHBondContact O-N 3.39Å; V437-H439 PolarHBondContact O-N 3.33Å | ||
| 440 | P | 31.2 | Very low | 47.1 | Very low | 105 Ų | 105 | 88.3 Ų | 88.3 | 68% | 0.682 | 56% | 0.561 | S | S | * | * | trans | -123.7 | 136 | 143.7 | 9.3 | 12.3 | 0 | 0 | 0 | 110.5 | V437 E442 | V437-P440 WeakPolarHBondContact O-CD 3.38Å; P440-E442 PolarHBondContact O-N 2.98Å | ||
| 441 | S | 28.7 | Very low | 44.2 | Very low | 120 Ų | 120 | 100.2 Ų | 100.2 | 84% | 0.839 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -49.7 | 93.3 | 178.1 | 44.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 442 | E | 27.3 | Very low | 41.3 | Very low | 178 Ų | 178 | 110.5 Ų | 110.5 | 83% | 0.832 | 63% | 0.633 | S | S | * | * | trans | -170.4 | 86.5 | 159.1 | -109.9 | 175.2 | -157.5 | 0 | 0 | 110 | P440 | P440-E442 PolarHBondContact O-N 2.98Š| ||
| 443 | N | 28.4 | Very low | 38.8 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 91% | 0.909 | 67% | 0.668 | S | S | * | * | trans | -169.7 | 29.7 | 157.7 | -95.5 | -32.6 | 0 | 0 | 0 | 113 | L445 | N443-L445 PolarHBondContact O-N 3.45Š| ||
| 444 | L | 26.3 | Very low | 36.1 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 90% | 0.901 | 71% | 0.709 | S | S | * | * | trans | -76.9 | 97.3 | 159.2 | -81.7 | 153.8 | 0 | 0 | 0 | 106.8 | ||||
| 445 | L | 26.6 | Very low | 33.8 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | 151.2 | 81.7 | 152 | -79.4 | 157.9 | 0 | 0 | 0 | 110.2 | N443 | N443-L445 PolarHBondContact O-N 3.45Š| ||
| 446 | S | 27.7 | Very low | 31.8 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -164.6 | 109.4 | 150.3 | -82.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 447 | P | 27 | Very low | 30.1 | Very low | 138 Ų | 138 | 146 Ų | 146 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -84.5 | 114.6 | 172.7 | 32.1 | -26.2 | 0 | 0 | 0 | 108.7 | ||||
| 448 | G | 29.6 | Very low | 28.8 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -176.3 | 96.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G450 | G448-G450 PolarHBondContact O-N 3.39Š| ||
| 449 | G | 24.9 | Very low | 27.6 | Very low | 94 Ų | 94 | 149.2 Ų | 149.2 | 97% | 0.969 | 83% | 0.829 | S | S | * | * | trans | -57.2 | 128 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 450 | G | 27.6 | Very low | 27.4 | Very low | 71 Ų | 71 | 148.5 Ų | 148.5 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | -143.9 | 106.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | G448 R452 | G448-G450 PolarHBondContact O-N 3.39Å; G450-R452 PolarHBondContact O-N 3.08Å | ||
| 451 | R | 26.5 | Very low | 27.1 | Very low | 249 Ų | 249 | 148.5 Ų | 148.5 | 94% | 0.94 | 84% | 0.837 | S | S | * | * | trans | -47.4 | 125.1 | 178.4 | -70.6 | 171.4 | 173.2 | 174.7 | -2.9 | 111.3 | S453 | R451-S453 PolarHBondContact O-N 2.89Š| ||
| 452 | R | 25.3 | Very low | 27.1 | Very low | 251 Ų | 251 | 150.5 Ų | 150.5 | 95% | 0.947 | 84% | 0.837 | S | S | * | * | trans | -57.2 | 105.6 | 165.8 | -78 | -179.5 | 173.3 | 176.3 | -2.7 | 108.9 | G450 R454 | G450-R452 PolarHBondContact O-N 3.08Å; R452-R454 PolarHBondContact O-N 2.87Å | ||
| 453 | S | 28.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -71 | 114.9 | 171.2 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | R451 N455 | R451-S453 PolarHBondContact O-N 2.89Å; S453-N455 PolarHBondContact O-N 3.5Å | ||
| 454 | R | 26.5 | Very low | 27 | Very low | 233 Ų | 233 | 147.1 Ų | 147.1 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | -58 | 118.5 | 171.2 | -88.6 | 174 | 157.2 | 148.4 | -7.3 | 109.1 | R452 R456 | R452-R454 PolarHBondContact O-N 2.87Å; R454-R456 PolarHBondContact O-N 3.3Å; R454-R456 VanDerWaalsContact O-N 3.07Å | ||
| 455 | N | 28.9 | Very low | 27.1 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 83% | 0.828 | S | S | * | * | trans | -67.6 | 101.4 | 168.5 | -128.4 | 18.4 | 0 | 0 | 0 | 107.6 | S453 | S453-N455 PolarHBondContact O-N 3.5Š| ||
| 456 | R | 25.5 | Very low | 27 | Very low | 227 Ų | 227 | 144 Ų | 144 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | trans | -90.8 | 106.8 | 158.1 | -81.4 | -179.5 | 171.7 | 176.9 | -4 | 105 | R454 | R454-R456 PolarHBondContact O-N 3.3Å; R454-R456 VanDerWaalsContact O-N 3.07Å | ||
| 457 | N | 26.5 | Very low | 27 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 168.4 | 74.1 | 156.8 | -81.6 | -5.5 | 0 | 0 | 0 | 107.8 | ||||
| 458 | S | 28.1 | Very low | 27.1 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -166.2 | 87.1 | 161.9 | 55.3 | 0 | 0 | 0 | 0 | 106.5 | T460 | S458-T460 PolarHBondContact O-N 2.9Š| ||
| 459 | S | 25.1 | Very low | 27 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -86.3 | 90.9 | 169.7 | 48 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 460 | T | 29.7 | Very low | 27.2 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -140.5 | 102.8 | 156.1 | 44.7 | 0 | 0 | 0 | 0 | 105.8 | S458 | S458-T460 PolarHBondContact O-N 2.9Š| ||
| 461 | S | 25.1 | Very low | 27.1 | Very low | 106 Ų | 106 | 155.2 Ų | 155.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -98.6 | 145.3 | 169.7 | 61.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 462 | L | 27.3 | Very low | 27 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 100 | 83.7 | -175.4 | -58.8 | 155.7 | 0 | 0 | 0 | 110.8 | ||||
| 463 | D | 28.1 | Very low | 27 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | -166 | 119.4 | 117.4 | -94.5 | -18 | 0 | 0 | 0 | 111.6 | |||||
| 464 | S | 25.4 | Very low | 26.9 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -93.9 | 94.4 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 465 | T | 28.8 | Very low | 27.1 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -141.6 | 106.3 | 152.7 | 45.5 | 0 | 0 | 0 | 0 | 108 | P467 | T465-P467 WeakPolarHBondContact O-CD 3.3Š| ||
| 466 | N | 25.4 | Very low | 27.5 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | trans | -48.6 | 115.6 | 176.9 | -79.8 | -34.5 | 0 | 0 | 0 | 111.8 | L468 | N466-L468 PolarHBondContact O-N 3.02Š| ||
| 467 | P | 27.8 | Very low | 28.2 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -77.7 | 117.3 | 145.6 | 26.1 | -13.3 | 0 | 0 | 0 | 105.9 | T465 W469 | T465-P467 WeakPolarHBondContact O-CD 3.3Å; P467-W469 PolarHBondContact O-N 3.29Å | ||
| 468 | L | 28.2 | Very low | 29.2 | Very low | 141 Ų | 141 | 122.7 Ų | 122.7 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | -37.4 | 116.4 | 175.8 | -72.8 | 160.9 | 0 | 0 | 0 | 110.7 | N466 L470 | N466-L468 PolarHBondContact O-N 3.02Å; L468-L470 PolarHBondContact O-N 2.75Å | ||
| 469 | W | 27.3 | Very low | 30.7 | Very low | 214 Ų | 214 | 118.2 Ų | 118.2 | 81% | 0.811 | 67% | 0.674 | S | S | * | * | trans | -63.7 | 97.4 | 173.9 | -74.1 | 62.5 | 0 | 0 | 0 | 108.3 | P467 N471 | P467-W469 PolarHBondContact O-N 3.29Å; W469-N471 PolarHBondContact O-N 3.38Å | ||
| 470 | L | 29.3 | Very low | 32.5 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 69% | 0.686 | 66% | 0.663 | S | S | * | * | trans | -77.3 | 106.9 | 153.3 | -104.9 | 97.3 | 0 | 0 | 0 | 107.4 | T370 L468 N472 | T370-L470 HydrophobicContact CG2-CD2 3.99Å; L468-L470 PolarHBondContact O-N 2.75Å; L470-N472 PolarHBondContact O-N 3.42Å | ||
| 471 | N | 26.6 | Very low | 34.5 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | trans | -47.3 | 133.4 | 168.5 | -85.7 | -33.3 | 0 | 0 | 0 | 110.8 | W469 T473 | W469-N471 PolarHBondContact O-N 3.38Å; N471-T473 PolarHBondContact O-N 3.01Å | ||
| 472 | N | 24.1 | Very low | 37 | Very low | 163 Ų | 163 | 114.8 Ų | 114.8 | 87% | 0.872 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -49.4 | 102.3 | 166.2 | -75 | -43.9 | 0 | 0 | 0 | 110.4 | L470 | L470-N472 PolarHBondContact O-N 3.42Š|
| 473 | T | 25.1 | Very low | 39.6 | Very low | 123 Ų | 123 | 115.6 Ų | 115.6 | 76% | 0.755 | 63% | 0.627 | S | S | * | * | trans | 167.5 | 92.9 | 143.6 | 45.1 | 0 | 0 | 0 | 0 | 108.3 | N471 | N471-T473 PolarHBondContact O-N 3.01Š| ||
| 474 | T | 26.9 | Very low | 42.2 | Very low | 89 Ų | 89 | 112 Ų | 112 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | trans | 172.9 | 132.5 | 153.1 | 37.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 475 | S | 30.5 | Very low | 45 | Very low | 72 Ų | 72 | 107.7 Ų | 107.7 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | trans | -44.5 | 143.4 | 174.2 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | N373 | N373-S475 PolarHBondContact ND2-O 2.95Å; N373-S475 PolarHBondContact ND2-OG 3.07Å; N373-S475 VanDerWaalsContact ND2-OG 3.1Å | ||
| 476 | P | 36.6 | Very low | 47.6 | Very low | 41 Ų | 41 | 103 Ų | 103 | 27% | 0.266 | 55% | 0.549 | S | S | . | . | trans | -88.9 | 140.8 | 166.7 | 29.7 | -22.3 | 0 | 0 | 0 | 110.5 | S435 | S435-P476 VanDerWaalsContact O-CG 3.24Å; S435-P476 WeakPolarHBondContact O-CG 3.25Å | ||
| 477 | G | 40.7 | Very low | 50.6 | Low | 31 Ų | 31 | 102.7 Ų | 102.7 | 32% | 0.32 | 54% | 0.541 | S | S | . | . | trans | -62.3 | 147.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | L479 | G477-L479 PolarHBondContact O-N 2.83Š| ||
| 478 | H | 47.8 | Very low | 53.5 | Low | 159 Ų | 159 | 98 Ų | 98 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | trans | -57.3 | 112 | -172.4 | -94.5 | -98.9 | 0 | 0 | 0 | 114 | E480 | H478-E480 IonicContact ND1-OE1 3.71Š| ||
| 479 | L | 59.2 | Low | 56.4 | Low | 15 Ų | 15 | 91.9 Ų | 91.9 | 8% | 0.079 | 48% | 0.478 | C | S | . | . | trans | -120.1 | 82.5 | 164.1 | -130.7 | 145.5 | 0 | 0 | 0 | 107.6 | L397 L432 L433 V436 G477 R485 | L397-L479 HydrophobicContact CD2-CD1 3.73Å; L397-L479 HydrophobicContact CD2-CD2 4.19Å; L397-L479 HydrophobicContact CD2-CG 4.1Å; L432-L479 HydrophobicContact CD2-CD1 3.97Å; L432-L479 HydrophobicContact CG-CD1 4.33Å; L433-L479 HydrophobicContact CD2-CD2 4.31Å; V436-L479 WeakPolarHBondContact CG1-O 3.41Å; V436-L479 HydrophobicContact CG2-CB 3.77Å; G477-L479 PolarHBondContact O-N 2.83Å; L479-R485 VanDerWaalsContact CD2-CZ 3.46Å | ||
| 480 | E | 63.1 | Low | 59.4 | Low | 134 Ų | 134 | 85.2 Ų | 85.2 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | trans | -61.1 | 140.2 | -177.3 | -69.8 | -177.5 | 173.5 | 0 | 0 | 111.6 | H478 N482 R485 | H478-E480 IonicContact ND1-OE1 3.71Å; E480-N482 PolarHBondContact O-N 3.37Å; E480-R485 PolarHBondContact O-NH1 3.49Å | ||
| 481 | I | 71.4 | Confident | 62.4 | Low | 83 Ų | 83 | 81.1 Ų | 81.1 | 43% | 0.426 | 43% | 0.43 | S | S | . | . | trans | -72.2 | 97.1 | 171.5 | -59.8 | 176 | 0 | 0 | 0 | 107.5 | V437 | V437-I481 HydrophobicContact CG2-CD1 3.5Å; V437-I481 HydrophobicContact CG2-CG1 4.43Å | ||
| 482 | N | 77.2 | Confident | 65.5 | Low | 62 Ų | 62 | 74.7 Ų | 74.7 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | trans | -85 | 174.6 | 172.6 | 63.3 | 4.9 | 0 | 0 | 0 | 111 | E480 T484 R485 S486 | E480-N482 PolarHBondContact O-N 3.37Å; N482-T484 VanDerWaalsContact C-N 3.27Å; N482-T484 VanDerWaalsContact CG-OG1 3.25Å; N482-T484 PolarHBondContact ND2-OG1 2.96Å; N482-T484 VanDerWaalsContact ND2-OG1 3.17Å; N482-T484 PolarHBondContact O-N 3.23Å; N482-T484 PolarHBondContact OD1-OG1 3.34Å; N482-R485 PolarHBondContact O-N 2.93Å; N482-R485 WeakPolarHBondContact OD1-CB 3.41Å; N482-R485 VanDerWaalsContact OD1-CD 3.24Å; N482-R485 WeakPolarHBondContact OD1-CD 3.28Å; N482-R485 WeakPolarHBondContact OD1-CG 3.36Å; N482-R485 PolarHBondContact OD1-N 3.38Å; N482-S486 PolarHBondContact O-N 3.1Å | ||
| 483 | E | 81.4 | Confident | 68.8 | Low | 179 Ų | 179 | 67 Ų | 67 | 84% | 0.836 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.9 | -36.9 | -178.9 | -65.4 | -176.4 | 169.3 | 0 | 0 | 112.9 | S486 F487 | E483-S486 PolarHBondContact O-N 2.64Å; E483-F487 WeakPolarHBondContact O-CB 3.45Å; E483-F487 PolarHBondContact O-N 3.23Å |
| 484 | T | 82.4 | Confident | 72 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 179.2 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | N482 F487 F488 | N482-T484 VanDerWaalsContact C-N 3.27Å; N482-T484 VanDerWaalsContact CG-OG1 3.25Å; N482-T484 PolarHBondContact ND2-OG1 2.96Å; N482-T484 VanDerWaalsContact ND2-OG1 3.17Å; N482-T484 PolarHBondContact O-N 3.23Å; N482-T484 PolarHBondContact OD1-OG1 3.34Å; T484-F487 WeakPolarHBondContact O-CB 3.24Å; T484-F487 PolarHBondContact O-N 3.08Å; T484-F488 PolarHBondContact O-N 3.39Å |
| 485 | R | 84.6 | Confident | 75.1 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 175.9 | -67.3 | 167.2 | -167.2 | 142.9 | 5.5 | 111.7 | E401 L479 E480 N482 F488 V489 | E401-R485 IonicContact OE1-CZ 2.63Å; E401-R485 VanDerWaalsContact OE1-CZ 3.24Å; E401-R485 IonicContact OE1-NE 3.64Å; E401-R485 PolarHBondContact OE1-NE 3.32Å; E401-R485 IonicContact OE1-NH2 2.65Å; E401-R485 PolarHBondContact OE1-NH2 2.92Å; L479-R485 VanDerWaalsContact CD2-CZ 3.46Å; E480-R485 PolarHBondContact O-NH1 3.49Å; N482-R485 PolarHBondContact O-N 2.93Å; N482-R485 WeakPolarHBondContact OD1-CB 3.41Å; N482-R485 VanDerWaalsContact OD1-CD 3.24Å; N482-R485 WeakPolarHBondContact OD1-CD 3.28Å; N482-R485 WeakPolarHBondContact OD1-CG 3.36Å; N482-R485 PolarHBondContact OD1-N 3.38Å; R485-F488 WeakPolarHBondContact O-CB 3.3Å; R485-F488 PolarHBondContact O-N 2.97Å; R485-V489 WeakPolarHBondContact O-CG2 3.31Å; R485-V489 PolarHBondContact O-N 2.67Å |
| 486 | S | 84.1 | Confident | 78 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 172.3 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | N482 E483 F488 V489 K490 | N482-S486 PolarHBondContact O-N 3.1Å; E483-S486 PolarHBondContact O-N 2.64Å; S486-F488 VanDerWaalsContact C-N 3.31Å; S486-F488 PolarHBondContact O-N 3.26Å; S486-V489 PolarHBondContact O-N 3.38Å; S486-K490 VanDerWaalsContact O-CG 3.24Å; S486-K490 WeakPolarHBondContact O-CG 3.45Å; S486-K490 PolarHBondContact O-N 3.22Å; S486-K490 WeakPolarHBondContact OG-CE 3.44Å |
| 487 | F | 87.8 | Confident | 80.7 | Confident | 140 Ų | 140 | 57.4 Ų | 57.4 | 61% | 0.614 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.2 | -43.1 | 175.6 | 179 | -96 | 0 | 0 | 0 | 112.2 | E483 T484 K490 R491 | E483-F487 WeakPolarHBondContact O-CB 3.45Å; E483-F487 PolarHBondContact O-N 3.23Å; T484-F487 WeakPolarHBondContact O-CB 3.24Å; T484-F487 PolarHBondContact O-N 3.08Å; F487-K490 PolarHBondContact O-N 2.85Å; F487-R491 WeakPolarHBondContact O-CB 3.5Å; F487-R491 PolarHBondContact O-N 2.93Å |
| 488 | F | 88.5 | Confident | 83 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.8 | -51.7 | 173.9 | 163 | -89.7 | 0 | 0 | 0 | 112.1 | L404 V408 L426 Y429 L430 T484 R485 S486 K490 R491 L492 | L404-F488 HydrophobicContact CD1-CD2 4.32Å; L404-F488 HydrophobicContact CD1-CE1 4.44Å; L404-F488 HydrophobicContact CD1-CE2 3.41Å; L404-F488 VanDerWaalsContact CD1-CE2 3.41Å; L404-F488 HydrophobicContact CD1-CZ 3.51Å; L404-F488 HydrophobicContact CD2-CD1 4.17Å; L404-F488 HydrophobicContact CD2-CD2 3.52Å; L404-F488 HydrophobicContact CD2-CE1 4.16Å; L404-F488 HydrophobicContact CD2-CE2 3.46Å; L404-F488 VanDerWaalsContact CD2-CE2 3.46Å; L404-F488 HydrophobicContact CD2-CG 3.89Å; L404-F488 HydrophobicContact CD2-CZ 3.83Å; L404-F488 HydrophobicContact CG-CD2 3.67Å; L404-F488 HydrophobicContact CG-CE2 3.22Å; L404-F488 HydrophobicContact CG-CZ 3.79Å; V408-F488 HydrophobicContact CG2-CD2 3.66Å; V408-F488 HydrophobicContact CG2-CE2 3.17Å; V408-F488 HydrophobicContact CG2-CZ 4.18Å; L426-F488 HydrophobicContact CD2-CE2 4.18Å; L426-F488 HydrophobicContact CD2-CZ 4.01Å; Y429-F488 HydrophobicContact CD1-CD1 4.34Å; Y429-F488 AromaticContact CD1-CE1 3.6Å; Y429-F488 HydrophobicContact CD1-CE1 3.6Å; Y429-F488 AromaticContact CD1-CZ 3.88Å; Y429-F488 HydrophobicContact CD1-CZ 3.88Å; Y429-F488 AromaticContact CE1-CD1 3.8Å; Y429-F488 HydrophobicContact CE1-CD1 3.8Å; Y429-F488 AromaticContact CE1-CE1 3.52Å; Y429-F488 HydrophobicContact CE1-CE1 3.52Å; Y429-F488 HydrophobicContact CE1-CZ 4.09Å; L430-F488 HydrophobicContact CD2-CE1 4.39Å; T484-F488 PolarHBondContact O-N 3.39Å; R485-F488 WeakPolarHBondContact O-CB 3.3Å; R485-F488 PolarHBondContact O-N 2.97Å; S486-F488 VanDerWaalsContact C-N 3.31Å; S486-F488 PolarHBondContact O-N 3.26Å; F488-K490 VanDerWaalsContact C-N 3.26Å; F488-K490 PolarHBondContact O-N 3.21Å; F488-R491 PolarHBondContact O-N 2.94Å; F488-L492 HydrophobicContact CE1-CD2 4.16Å; F488-L492 HydrophobicContact CZ-CD2 3.9Å; F488-L492 WeakPolarHBondContact O-CB 2.89Å; F488-L492 PolarHBondContact O-N 3.26Å |
| 489 | V | 88.8 | Confident | 84.9 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -40.8 | -179.1 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L430 L433 R485 S486 L493 I530 L533 | L430-V489 HydrophobicContact CD2-CG2 4.35Å; L433-V489 HydrophobicContact CD1-CG2 4.07Å; R485-V489 WeakPolarHBondContact O-CG2 3.31Å; R485-V489 PolarHBondContact O-N 2.67Å; S486-V489 PolarHBondContact O-N 3.38Å; V489-L493 PolarHBondContact O-N 3.06Å; V489-I530 HydrophobicContact CG1-CB 4.39Å; V489-I530 HydrophobicContact CG1-CG1 4.27Å; V489-I530 HydrophobicContact CG1-CG2 3.6Å; V489-L533 HydrophobicContact CG2-CD1 4.26Å |
| 490 | K | 91.4 | Very high | 86.3 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 33% | 0.326 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.2 | -65.5 | 178.4 | 179.1 | 172.2 | 0 | 111.9 | S486 F487 F488 L493 F494 F537 | S486-K490 VanDerWaalsContact O-CG 3.24Å; S486-K490 WeakPolarHBondContact O-CG 3.45Å; S486-K490 PolarHBondContact O-N 3.22Å; S486-K490 WeakPolarHBondContact OG-CE 3.44Å; F487-K490 PolarHBondContact O-N 2.85Å; F488-K490 VanDerWaalsContact C-N 3.26Å; F488-K490 PolarHBondContact O-N 3.21Å; K490-L493 WeakPolarHBondContact O-CB 3.3Å; K490-L493 PolarHBondContact O-N 3.34Å; K490-F494 WeakPolarHBondContact O-CD2 3.14Å; K490-F494 PolarHBondContact O-N 3.49Å; K490-F537 HydrophobicContact CB-CE1 3.84Å; K490-F537 HydrophobicContact CB-CZ 3.74Å; K490-F537 HydrophobicContact CD-CD2 4.19Å; K490-F537 HydrophobicContact CD-CE1 4.34Å; K490-F537 HydrophobicContact CD-CE2 3.77Å; K490-F537 HydrophobicContact CD-CZ 3.87Å; K490-F537 HydrophobicContact CG-CD1 3.92Å; K490-F537 HydrophobicContact CG-CD2 4.26Å; K490-F537 HydrophobicContact CG-CE1 3.48Å; K490-F537 VanDerWaalsContact CG-CE1 3.48Å; K490-F537 HydrophobicContact CG-CE2 3.85Å; K490-F537 HydrophobicContact CG-CG 4.29Å; K490-F537 HydrophobicContact CG-CZ 3.45Å; K490-F537 VanDerWaalsContact CG-CZ 3.45Å |
| 491 | R | 91.5 | Very high | 87.3 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 177.9 | -178 | 174.3 | 168.3 | -146.6 | -17.6 | 111.6 | V408 E412 F487 F488 L493 F494 A495 | V408-R491 HydrophobicContact CG1-CG 4.14Å; E412-R491 IonicContact OE1-CZ 3.84Å; E412-R491 IonicContact OE1-NE 2.91Å; E412-R491 PolarHBondContact OE1-NE 2.84Å; E412-R491 IonicContact OE1-NH2 2.86Å; E412-R491 PolarHBondContact OE1-NH2 3.42Å; E412-R491 VanDerWaalsContact OE1-NH2 3.08Å; E412-R491 IonicContact OE2-CZ 2.69Å; E412-R491 IonicContact OE2-NE 2.63Å; E412-R491 IonicContact OE2-NH2 3.45Å; E412-R491 PolarHBondContact OE2-NH2 3.48Å; F487-R491 WeakPolarHBondContact O-CB 3.5Å; F487-R491 PolarHBondContact O-N 2.93Å; F488-R491 PolarHBondContact O-N 2.94Å; R491-L493 VanDerWaalsContact C-N 3.3Å; R491-L493 PolarHBondContact O-N 3.35Å; R491-F494 PolarHBondContact O-N 3.29Å; R491-A495 PolarHBondContact O-N 2.94Å |
| 492 | L | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -38.1 | 176.5 | -177.9 | 60.9 | 0 | 0 | 0 | 111.9 | F411 L426 L430 F488 A495 C496 I530 | F411-L492 HydrophobicContact CD1-CD1 3.89Å; F411-L492 HydrophobicContact CE1-CD1 3.9Å; F411-L492 HydrophobicContact CG-CD1 4.48Å; L426-L492 HydrophobicContact CD1-CD1 3.95Å; L430-L492 HydrophobicContact CD1-CD2 3.92Å; L430-L492 HydrophobicContact CD2-CD2 4.38Å; L430-L492 HydrophobicContact CG-CD2 4.33Å; F488-L492 HydrophobicContact CE1-CD2 4.16Å; F488-L492 HydrophobicContact CZ-CD2 3.9Å; F488-L492 WeakPolarHBondContact O-CB 2.89Å; F488-L492 PolarHBondContact O-N 3.26Å; L492-A495 PolarHBondContact O-N 3.49Å; L492-C496 PolarHBondContact O-N 2.96Å; L492-C496 PolarHBondContact O-SG 3.4Å; L492-I530 HydrophobicContact CB-CD1 4.36Å; L492-I530 HydrophobicContact CD2-CD1 4.11Å; L492-I530 HydrophobicContact CG-CD1 3.99Å |
| 493 | L | 93.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -50.5 | 173.8 | -178.4 | 64.7 | 0 | 0 | 0 | 111 | V489 K490 R491 A495 C496 I497 I527 I530 F537 V538 T541 | V489-L493 PolarHBondContact O-N 3.06Å; K490-L493 WeakPolarHBondContact O-CB 3.3Å; K490-L493 PolarHBondContact O-N 3.34Å; R491-L493 VanDerWaalsContact C-N 3.3Å; R491-L493 PolarHBondContact O-N 3.35Å; L493-A495 VanDerWaalsContact C-N 3.33Å; L493-A495 PolarHBondContact O-N 3.47Å; L493-C496 WeakPolarHBondContact O-CB 3.41Å; L493-C496 PolarHBondContact O-N 3.06Å; L493-I497 HydrophobicContact CD1-CD1 4.24Å; L493-I497 HydrophobicContact CD1-CG1 4.41Å; L493-I497 HydrophobicContact CD2-CD1 4.38Å; L493-I497 HydrophobicContact CG-CD1 3.83Å; L493-I497 HydrophobicContact CG-CG1 4.4Å; L493-I497 VanDerWaalsContact O-CG1 3.23Å; L493-I497 WeakPolarHBondContact O-CG1 3.39Å; L493-I497 PolarHBondContact O-N 3.08Å; L493-I527 HydrophobicContact CD1-CG1 4.26Å; L493-I527 HydrophobicContact CD1-CG2 4.25Å; L493-I530 HydrophobicContact CB-CD1 4.27Å; L493-I530 HydrophobicContact CB-CG2 4.33Å; L493-I530 HydrophobicContact CD1-CG2 4.28Å; L493-F537 HydrophobicContact CD2-CD1 3.91Å; L493-F537 HydrophobicContact CD2-CE1 3.5Å; L493-V538 HydrophobicContact CD1-CG2 4.37Å; L493-V538 HydrophobicContact CD2-CB 4.48Å; L493-V538 HydrophobicContact CD2-CG2 3.83Å; L493-T541 HydrophobicContact CD2-CG2 4.35Å |
| 494 | F | 93.3 | Very high | 85.9 | Confident | 104 Ų | 104 | 40 Ų | 40 | 46% | 0.456 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.2 | -38 | 179.3 | -72.8 | -65.4 | 0 | 0 | 0 | 112.7 | K490 R491 I497 D498 F537 T541 | K490-F494 WeakPolarHBondContact O-CD2 3.14Å; K490-F494 PolarHBondContact O-N 3.49Å; R491-F494 PolarHBondContact O-N 3.29Å; F494-I497 HydrophobicContact CD1-CD1 4.32Å; F494-I497 PolarHBondContact O-N 3.31Å; F494-D498 PolarHBondContact O-N 2.98Å; F494-F537 AromaticContact CE2-CZ 3.95Å; F494-F537 HydrophobicContact CE2-CZ 3.95Å; F494-F537 HydrophobicContact CZ-CZ 4.25Å; F494-T541 HydrophobicContact CE1-CG2 3.92Å; F494-T541 HydrophobicContact CZ-CG2 4.28Å |
| 495 | A | 91 | Very high | 84.8 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F411 E412 R491 L492 L493 I497 D498 K499 | F411-A495 HydrophobicContact CD1-CB 3.83Å; F411-A495 HydrophobicContact CE1-CB 3.91Å; E412-A495 HydrophobicContact CG-CB 3.72Å; R491-A495 PolarHBondContact O-N 2.94Å; L492-A495 PolarHBondContact O-N 3.49Å; L493-A495 VanDerWaalsContact C-N 3.33Å; L493-A495 PolarHBondContact O-N 3.47Å; A495-I497 PolarHBondContact O-N 2.86Å; A495-D498 PolarHBondContact O-N 3.06Å; A495-K499 WeakPolarHBondContact O-CB 3.47Å; A495-K499 VanDerWaalsContact O-CG 3.31Å; A495-K499 WeakPolarHBondContact O-CG 3.19Å; A495-K499 PolarHBondContact O-N 3.45Å |
| 496 | C | 92.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.9 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | L492 L493 D498 K499 M500 I527 | L492-C496 PolarHBondContact O-N 2.96Å; L492-C496 PolarHBondContact O-SG 3.4Å; L493-C496 WeakPolarHBondContact O-CB 3.41Å; L493-C496 PolarHBondContact O-N 3.06Å; C496-D498 VanDerWaalsContact C-N 3.34Å; C496-D498 PolarHBondContact O-N 2.99Å; C496-K499 PolarHBondContact O-N 3.32Å; C496-M500 WeakPolarHBondContact O-CB 3.36Å; C496-M500 VanDerWaalsContact O-CG 3.28Å; C496-M500 WeakPolarHBondContact O-CG 3.13Å; C496-M500 PolarHBondContact O-N 2.73Å; C496-I527 HydrophobicContact CB-CD1 3.85Å; C496-I527 HydrophobicContact CB-CG1 3.73Å |
| 497 | I | 92.3 | Very high | 81.9 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.9 | -69.2 | 170.4 | 0 | 0 | 0 | 110.3 | L493 F494 A495 M500 T541 L545 V573 L577 | L493-I497 HydrophobicContact CD1-CD1 4.24Å; L493-I497 HydrophobicContact CD1-CG1 4.41Å; L493-I497 HydrophobicContact CD2-CD1 4.38Å; L493-I497 HydrophobicContact CG-CD1 3.83Å; L493-I497 HydrophobicContact CG-CG1 4.4Å; L493-I497 VanDerWaalsContact O-CG1 3.23Å; L493-I497 WeakPolarHBondContact O-CG1 3.39Å; L493-I497 PolarHBondContact O-N 3.08Å; F494-I497 HydrophobicContact CD1-CD1 4.32Å; F494-I497 PolarHBondContact O-N 3.31Å; A495-I497 PolarHBondContact O-N 2.86Å; I497-M500 PolarHBondContact O-N 3.02Å; I497-T541 HydrophobicContact CD1-CG2 3.88Å; I497-L545 HydrophobicContact CD1-CD1 4.24Å; I497-L545 HydrophobicContact CG2-CD1 4.37Å; I497-V573 HydrophobicContact CG2-CG1 3.86Å; I497-L577 HydrophobicContact CD1-CD1 4.19Å; I497-L577 HydrophobicContact CG1-CD1 3.83Å; I497-L577 HydrophobicContact CG2-CD1 4.47Å |
| 498 | D | 88.8 | Confident | 80 | Confident | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 178.8 | -161.4 | 62 | 0 | 0 | 0 | 111.7 | F494 A495 C496 M500 K501 | F494-D498 PolarHBondContact O-N 2.98Å; A495-D498 PolarHBondContact O-N 3.06Å; C496-D498 VanDerWaalsContact C-N 3.34Å; C496-D498 PolarHBondContact O-N 2.99Å; D498-M500 PolarHBondContact O-N 2.84Å; D498-K501 VanDerWaalsContact O-CB 3.28Å; D498-K501 WeakPolarHBondContact O-CB 3.31Å; D498-K501 WeakPolarHBondContact O-CG 3.47Å; D498-K501 PolarHBondContact O-N 3.39Å; D498-K501 VanDerWaalsContact O-N 3.09Å; D498-K501 WeakPolarHBondContact OD1-CE 3.2Å; D498-K501 IonicContact OD1-NZ 3.94Å; D498-K501 PolarHBondContact OD1-NZ 3.46Å |
| 499 | K | 88 | Confident | 78.3 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -24 | 175.4 | -72.1 | -59.6 | -165.7 | 169.2 | 0 | 114.7 | F411 H413 K414 A495 C496 K501 Y516 L523 | F411-K499 WeakPolarHBondContact O-CE 3.4Å; H413-K499 WeakPolarHBondContact O-CE 3.49Å; H413-K499 PolarHBondContact O-NZ 2.89Å; K414-K499 PolarHBondContact O-NZ 3.07Å; A495-K499 WeakPolarHBondContact O-CB 3.47Å; A495-K499 VanDerWaalsContact O-CG 3.31Å; A495-K499 WeakPolarHBondContact O-CG 3.19Å; A495-K499 PolarHBondContact O-N 3.45Å; C496-K499 PolarHBondContact O-N 3.32Å; K499-K501 VanDerWaalsContact C-N 3.31Å; K499-Y516 PolarHBondContact O-OH 2.94Å; K499-L523 HydrophobicContact CB-CD1 3.78Å; K499-L523 HydrophobicContact CB-CD2 4.29Å |
| 500 | M | 87.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -9.4 | 175.2 | -75.8 | -175 | 73 | 0 | 0 | 113.7 | C496 I497 D498 C502 R520 L523 R524 I527 V573 N576 L577 | C496-M500 WeakPolarHBondContact O-CB 3.36Å; C496-M500 VanDerWaalsContact O-CG 3.28Å; C496-M500 WeakPolarHBondContact O-CG 3.13Å; C496-M500 PolarHBondContact O-N 2.73Å; I497-M500 PolarHBondContact O-N 3.02Å; D498-M500 PolarHBondContact O-N 2.84Å; M500-C502 PolarHBondContact O-N 3.24Å; M500-R520 HydrophobicContact CE-CG 4.39Å; M500-L523 HydrophobicContact CG-CB 4.03Å; M500-L523 HydrophobicContact CG-CD1 3.73Å; M500-L523 HydrophobicContact SD-CB 4.4Å; M500-R524 HydrophobicContact CE-CG 4.19Å; M500-I527 HydrophobicContact SD-CD1 3.3Å; M500-I527 WeakPolarHBondContact SD-CD1 3.27Å; M500-V573 HydrophobicContact CB-CG1 4.29Å; M500-V573 HydrophobicContact CB-CG2 3.87Å; M500-V573 WeakPolarHBondContact O-CG2 3.28Å; M500-N576 VanDerWaalsContact CE-OD1 3.24Å; M500-N576 WeakPolarHBondContact CE-OD1 3.37Å; M500-L577 HydrophobicContact SD-CD2 4.12Å |
| 501 | K | 84.6 | Confident | 75.3 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 30% | 0.3 | 32% | 0.316 | S | S | . | . | trans | -72.5 | 63.2 | -178 | -66.3 | 175.6 | -175.6 | 165.8 | 0 | 112.4 | D498 K499 Q569 V573 | D498-K501 VanDerWaalsContact O-CB 3.28Å; D498-K501 WeakPolarHBondContact O-CB 3.31Å; D498-K501 WeakPolarHBondContact O-CG 3.47Å; D498-K501 PolarHBondContact O-N 3.39Å; D498-K501 VanDerWaalsContact O-N 3.09Å; D498-K501 WeakPolarHBondContact OD1-CE 3.2Å; D498-K501 IonicContact OD1-NZ 3.94Å; D498-K501 PolarHBondContact OD1-NZ 3.46Å; K499-K501 VanDerWaalsContact C-N 3.31Å; K501-Q569 HydrophobicContact CB-CB 4.2Å; K501-Q569 PolarHBondContact O-NE2 3.03Å; K501-V573 VanDerWaalsContact CA-CG2 3.49Å; K501-V573 HydrophobicContact CB-CG2 4.2Å; K501-V573 HydrophobicContact CG-CG2 3.81Å | ||
| 502 | C | 71.3 | Confident | 74 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 28% | 0.277 | 33% | 0.33 | S | S | . | . | trans | -130.3 | 127.8 | 167.2 | -166.2 | 0 | 0 | 0 | 0 | 109.4 | M500 Y516 | M500-C502 PolarHBondContact O-N 3.24Å; C502-Y516 HydrophobicContact CB-CE1 3.6Å; C502-Y516 HydrophobicContact CB-CE2 3.95Å; C502-Y516 WeakPolarHBondContact CB-OH 3.32Å | ||
| 503 | L | 69.3 | Low | 72.7 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.016 | 35% | 0.347 | C | S | . | . | trans | -102.8 | 121.4 | 169.1 | -173.4 | 76 | 0 | 0 | 0 | 105.8 | I505 L565 L568 Q569 D572 A622 L623 | L503-I505 PolarHBondContact O-N 3.45Å; L503-L565 HydrophobicContact CD2-CD1 4.49Å; L503-L568 HydrophobicContact CD2-CB 3.8Å; L503-L568 HydrophobicContact CD2-CD1 4.1Å; L503-Q569 HydrophobicContact CB-CG 4.09Å; L503-D572 HydrophobicContact CD1-CB 3.98Å; L503-A622 HydrophobicContact CD1-CB 4.38Å; L503-L623 HydrophobicContact CD1-CD2 4.1Å; L503-L623 HydrophobicContact CD1-CG 4.2Å | ||
| 504 | P | 61.1 | Low | 71.7 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 38% | 0.383 | 37% | 0.37 | S | S | . | . | trans | -63.4 | 108 | 176.7 | 23.6 | -30.4 | 0 | 0 | 0 | 108.8 | ||||
| 505 | I | 58.8 | Low | 70.7 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | trans | -93.9 | 133.1 | 170.1 | -57.6 | 164.5 | 0 | 0 | 0 | 106 | L503 D507 L565 | L503-I505 PolarHBondContact O-N 3.45Å; I505-D507 PolarHBondContact O-N 3.28Å; I505-L565 HydrophobicContact CD1-CD1 3.63Å; I505-L565 HydrophobicContact CD1-CD2 3.6Å; I505-L565 HydrophobicContact CD1-CG 4.25Å; I505-L565 HydrophobicContact CG1-CD1 4.26Å | ||
| 506 | R | 53.7 | Low | 70.1 | Confident | 188 Ų | 188 | 74.9 Ų | 74.9 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 10 | -170.3 | -70.8 | -178.8 | 165.8 | 167.9 | -1.2 | 117.7 | E621 | R506-E621 IonicContact CZ-OE2 3.77Å; R506-E621 IonicContact NH1-OE2 3.46Å; R506-E621 VanDerWaalsContact NH2-CD 3.25Å; R506-E621 IonicContact NH2-OE1 2.89Å; R506-E621 PolarHBondContact NH2-OE1 3.29Å; R506-E621 IonicContact NH2-OE2 3.66Å; R506-E621 PolarHBondContact NH2-OE2 3.06Å |
| 507 | D | 52.7 | Low | 69.5 | Low | 145 Ų | 145 | 78.8 Ų | 78.8 | 78% | 0.775 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -0.9 | -172.5 | -68.5 | -26.1 | 0 | 0 | 0 | 114 | I505 | I505-D507 PolarHBondContact O-N 3.28Š|
| 508 | N | 48.3 | Very low | 69 | Low | 106 Ų | 106 | 84.5 Ų | 84.5 | 57% | 0.567 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -97.9 | 148.7 | -179.1 | -66.4 | -7.3 | 0 | 0 | 0 | 112.3 | ||
| 509 | Q | 53.4 | Low | 68.9 | Low | 147 Ų | 147 | 80.2 Ų | 80.2 | 69% | 0.687 | 40% | 0.4 | S | S | * | . | trans | -62.1 | 138.1 | -179.3 | -63.1 | 172.4 | 4.3 | 0 | 0 | 109.6 | D511 D512 | Q509-D511 PolarHBondContact O-N 2.9Å; Q509-D512 PolarHBondContact O-N 3.25Å | ||
| 510 | D | 57.1 | Low | 68.8 | Low | 94 Ų | 94 | 79.2 Ų | 79.2 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -53.8 | -26.6 | -172.4 | -67.6 | -49.9 | 0 | 0 | 0 | 113.8 | E513 S514 L726 | D510-E513 PolarHBondContact O-N 2.98Å; D510-S514 PolarHBondContact O-N 3.44Å; D510-L726 WeakPolarHBondContact OD2-CD2 3.42Å |
| 511 | D | 59.3 | Low | 68.8 | Low | 124 Ų | 124 | 84.2 Ų | 84.2 | 66% | 0.663 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | 179 | -65.4 | -28.2 | 0 | 0 | 0 | 112 | Q509 E513 S514 E515 | Q509-D511 PolarHBondContact O-N 2.9Å; D511-E513 VanDerWaalsContact C-N 3.34Å; D511-E513 PolarHBondContact O-N 3.47Å; D511-S514 PolarHBondContact O-N 3.26Å; D511-E515 PolarHBondContact O-N 3.08Å |
| 512 | D | 64.2 | Low | 69 | Low | 85 Ų | 85 | 83.4 Ų | 83.4 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.5 | -31.4 | -179.9 | -64.9 | -31.1 | 0 | 0 | 0 | 112 | Q509 Y516 | Q509-D512 PolarHBondContact O-N 3.25Å; D512-Y516 WeakPolarHBondContact O-CB 3.41Å; D512-Y516 PolarHBondContact O-N 2.81Å; D512-Y516 VanDerWaalsContact O-N 3.13Å |
| 513 | E | 66.9 | Low | 69.9 | Low | 79 Ų | 79 | 81.5 Ų | 81.5 | 37% | 0.369 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.6 | -37.8 | 177.7 | -70.5 | -162.4 | 167 | 0 | 0 | 111.9 | D510 D511 E517 | D510-E513 PolarHBondContact O-N 2.98Å; D511-E513 VanDerWaalsContact C-N 3.34Å; D511-E513 PolarHBondContact O-N 3.47Å; E513-E517 PolarHBondContact O-N 3.27Å |
| 514 | S | 71.6 | Confident | 71 | Confident | 70 Ų | 70 | 84.2 Ų | 84.2 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.7 | -48.8 | 179.1 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | D510 D511 Y516 E517 E518 | D510-S514 PolarHBondContact O-N 3.44Å; D511-S514 PolarHBondContact O-N 3.26Å; S514-Y516 VanDerWaalsContact C-N 3.26Å; S514-Y516 PolarHBondContact O-N 3.32Å; S514-E517 PolarHBondContact O-N 3.37Å; S514-E518 PolarHBondContact O-N 3Å; S514-E518 VanDerWaalsContact O-N 3.07Å |
| 515 | E | 73.3 | Confident | 72.4 | Confident | 116 Ų | 116 | 83.8 Ų | 83.8 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 177.3 | -68 | -171.7 | -177.7 | 0 | 0 | 111.7 | D511 Y519 | D511-E515 PolarHBondContact O-N 3.08Å; E515-Y519 PolarHBondContact O-N 2.9Å |
| 516 | Y | 77.5 | Confident | 74 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.5 | -39.7 | 177.2 | -176 | -97.9 | 0 | 0 | 0 | 113 | K499 C502 D512 S514 E518 Y519 R520 | K499-Y516 PolarHBondContact O-OH 2.94Å; C502-Y516 HydrophobicContact CB-CE1 3.6Å; C502-Y516 HydrophobicContact CB-CE2 3.95Å; C502-Y516 WeakPolarHBondContact CB-OH 3.32Å; D512-Y516 WeakPolarHBondContact O-CB 3.41Å; D512-Y516 PolarHBondContact O-N 2.81Å; D512-Y516 VanDerWaalsContact O-N 3.13Å; S514-Y516 VanDerWaalsContact C-N 3.26Å; S514-Y516 PolarHBondContact O-N 3.32Å; Y516-E518 VanDerWaalsContact C-N 3.32Å; Y516-E518 PolarHBondContact O-N 3.45Å; Y516-Y519 PolarHBondContact O-N 3.28Å; Y516-R520 HydrophobicContact CE1-CB 4.47Å; Y516-R520 WeakPolarHBondContact O-CB 3.38Å; Y516-R520 PolarHBondContact O-N 3.49Å |
| 517 | E | 78.8 | Confident | 75.8 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 38% | 0.383 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69 | -31.8 | 177.6 | -169.9 | 62.2 | -155.1 | 0 | 0 | 111.8 | E513 S514 R520 H521 R524 | E513-E517 PolarHBondContact O-N 3.27Å; S514-E517 PolarHBondContact O-N 3.37Å; E517-R520 PolarHBondContact O-N 3.5Å; E517-R520 WeakPolarHBondContact OE2-CD 3.4Å; E517-R520 IonicContact OE2-NH1 3.61Å; E517-H521 PolarHBondContact O-N 2.93Å; E517-R524 IonicContact OE1-CZ 3.99Å; E517-R524 IonicContact OE1-NH1 4Å; E517-R524 PolarHBondContact OE1-NH1 3.46Å; E517-R524 IonicContact OE1-NH2 2.74Å; E517-R524 PolarHBondContact OE1-NH2 3.41Å |
| 518 | E | 82.9 | Confident | 77.7 | Confident | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.5 | -48.7 | 168.5 | -73.5 | -178.3 | -173.1 | 0 | 0 | 111.3 | S514 Y516 R520 H521 E522 | S514-E518 PolarHBondContact O-N 3Å; S514-E518 VanDerWaalsContact O-N 3.07Å; Y516-E518 VanDerWaalsContact C-N 3.32Å; Y516-E518 PolarHBondContact O-N 3.45Å; E518-R520 VanDerWaalsContact C-N 3.32Å; E518-R520 PolarHBondContact O-N 3.26Å; E518-H521 WeakPolarHBondContact O-CA 3.31Å; E518-H521 VanDerWaalsContact O-CB 3.28Å; E518-H521 WeakPolarHBondContact O-CB 3.29Å; E518-H521 PolarHBondContact O-N 3.36Å; E518-E522 PolarHBondContact O-N 3.02Å; E518-E522 VanDerWaalsContact O-N 3.1Å |
| 519 | Y | 85.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 175.8 | -175.5 | -132.3 | 0 | 0 | 0 | 112.3 | Q416 S419 Q420 E515 Y516 H521 E522 L523 | Q416-Y519 HydrophobicContact CG-CD1 3.73Å; Q416-Y519 HydrophobicContact CG-CE1 4Å; Q416-Y519 HydrophobicContact CG-CG 4.02Å; S419-Y519 VanDerWaalsContact CB-OH 3.28Å; S419-Y519 WeakPolarHBondContact CB-OH 3.38Å; S419-Y519 PolarHBondContact OG-OH 2.98Å; Q420-Y519 HydrophobicContact CG-CD2 3.41Å; Q420-Y519 VanDerWaalsContact CG-CD2 3.41Å; Q420-Y519 HydrophobicContact CG-CE2 3.57Å; Q420-Y519 HydrophobicContact CG-CG 4.19Å; E515-Y519 PolarHBondContact O-N 2.9Å; Y516-Y519 PolarHBondContact O-N 3.28Å; Y519-H521 PolarHBondContact O-N 3.42Å; Y519-E522 WeakPolarHBondContact O-CA 3.31Å; Y519-E522 WeakPolarHBondContact O-CB 3.42Å; Y519-E522 PolarHBondContact O-N 2.84Å; Y519-L523 HydrophobicContact CD1-CD1 4.21Å; Y519-L523 HydrophobicContact CE1-CD1 3.89Å; Y519-L523 HydrophobicContact CE1-CD2 4.49Å; Y519-L523 HydrophobicContact CE1-CG 4.31Å; Y519-L523 HydrophobicContact CE2-CD2 4.12Å; Y519-L523 HydrophobicContact CE2-CG 4.22Å; Y519-L523 WeakPolarHBondContact O-CG 3.47Å; Y519-L523 PolarHBondContact O-N 2.74Å |
| 520 | R | 86.4 | Confident | 81.5 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -35.3 | 174.4 | -167 | -179.9 | -173.9 | 165.9 | 13.5 | 111.5 | M500 Y516 E517 E518 L523 R524 D572 N576 | M500-R520 HydrophobicContact CE-CG 4.39Å; Y516-R520 HydrophobicContact CE1-CB 4.47Å; Y516-R520 WeakPolarHBondContact O-CB 3.38Å; Y516-R520 PolarHBondContact O-N 3.49Å; E517-R520 PolarHBondContact O-N 3.5Å; E517-R520 WeakPolarHBondContact OE2-CD 3.4Å; E517-R520 IonicContact OE2-NH1 3.61Å; E518-R520 VanDerWaalsContact C-N 3.32Å; E518-R520 PolarHBondContact O-N 3.26Å; R520-L523 PolarHBondContact O-N 3.46Å; R520-R524 WeakPolarHBondContact O-CB 3.43Å; R520-R524 VanDerWaalsContact O-CG 3.27Å; R520-R524 WeakPolarHBondContact O-CG 3.23Å; R520-R524 PolarHBondContact O-N 3.43Å; R520-D572 IonicContact CZ-OD2 3.88Å; R520-D572 IonicContact NH1-OD2 2.73Å; R520-D572 IonicContact NH2-OD1 3.78Å; R520-D572 IonicContact NH2-OD2 3.63Å; R520-D572 PolarHBondContact NH2-OD2 2.77Å; R520-N576 PolarHBondContact NH2-ND2 2.96Å; R520-N576 VanDerWaalsContact NH2-ND2 3.12Å |
| 521 | H | 88.3 | Confident | 83.1 | Confident | 106 Ų | 106 | 49.8 Ų | 49.8 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 173.2 | -172.4 | 72.3 | 0 | 0 | 0 | 112.1 | E517 E518 Y519 R524 T525 | E517-H521 PolarHBondContact O-N 2.93Å; E518-H521 WeakPolarHBondContact O-CA 3.31Å; E518-H521 VanDerWaalsContact O-CB 3.28Å; E518-H521 WeakPolarHBondContact O-CB 3.29Å; E518-H521 PolarHBondContact O-N 3.36Å; Y519-H521 PolarHBondContact O-N 3.42Å; H521-R524 PolarHBondContact O-N 3.19Å; H521-T525 PolarHBondContact O-N 2.85Å; H521-T525 PolarHBondContact O-OG1 3.29Å |
| 522 | E | 87.8 | Confident | 84.4 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 173.6 | -59.7 | -148.6 | 107.6 | 0 | 0 | 112.3 | T423 R427 E518 Y519 T525 L526 | T423-E522 HydrophobicContact CG2-CB 4.38Å; R427-E522 IonicContact CZ-OE1 3.38Å; R427-E522 IonicContact NH1-OE1 2.82Å; R427-E522 IonicContact NH2-OE1 3.25Å; R427-E522 PolarHBondContact NH2-OE1 3.02Å; E518-E522 PolarHBondContact O-N 3.02Å; E518-E522 VanDerWaalsContact O-N 3.1Å; Y519-E522 WeakPolarHBondContact O-CA 3.31Å; Y519-E522 WeakPolarHBondContact O-CB 3.42Å; Y519-E522 PolarHBondContact O-N 2.84Å; E522-T525 VanDerWaalsContact O-CB 3.31Å; E522-T525 WeakPolarHBondContact O-CB 3.46Å; E522-T525 PolarHBondContact O-N 3.39Å; E522-T525 VanDerWaalsContact O-N 3.11Å; E522-L526 PolarHBondContact O-N 3.4Å |
| 523 | L | 91 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.7 | -65.3 | 178.4 | 0 | 0 | 0 | 111.7 | F411 K499 M500 Y519 R520 T525 L526 I527 | F411-L523 HydrophobicContact CE2-CD2 4.07Å; F411-L523 HydrophobicContact CZ-CD2 3.49Å; F411-L523 VanDerWaalsContact CZ-CD2 3.49Å; K499-L523 HydrophobicContact CB-CD1 3.78Å; K499-L523 HydrophobicContact CB-CD2 4.29Å; M500-L523 HydrophobicContact CG-CB 4.03Å; M500-L523 HydrophobicContact CG-CD1 3.73Å; M500-L523 HydrophobicContact SD-CB 4.4Å; Y519-L523 HydrophobicContact CD1-CD1 4.21Å; Y519-L523 HydrophobicContact CE1-CD1 3.89Å; Y519-L523 HydrophobicContact CE1-CD2 4.49Å; Y519-L523 HydrophobicContact CE1-CG 4.31Å; Y519-L523 HydrophobicContact CE2-CD2 4.12Å; Y519-L523 HydrophobicContact CE2-CG 4.22Å; Y519-L523 WeakPolarHBondContact O-CG 3.47Å; Y519-L523 PolarHBondContact O-N 2.74Å; R520-L523 PolarHBondContact O-N 3.46Å; L523-T525 PolarHBondContact O-N 3.08Å; L523-L526 PolarHBondContact O-N 2.92Å; L523-L526 VanDerWaalsContact O-N 3.15Å; L523-I527 WeakPolarHBondContact O-CG1 3.28Å; L523-I527 PolarHBondContact O-N 3.24Å |
| 524 | R | 91.3 | Very high | 86.4 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.8 | -35.8 | 174 | -74.1 | 175.7 | -177.1 | 145.1 | -0.9 | 111.5 | M500 E517 R520 H521 G528 N576 L580 | M500-R524 HydrophobicContact CE-CG 4.19Å; E517-R524 IonicContact OE1-CZ 3.99Å; E517-R524 IonicContact OE1-NH1 4Å; E517-R524 PolarHBondContact OE1-NH1 3.46Å; E517-R524 IonicContact OE1-NH2 2.74Å; E517-R524 PolarHBondContact OE1-NH2 3.41Å; R520-R524 WeakPolarHBondContact O-CB 3.43Å; R520-R524 VanDerWaalsContact O-CG 3.27Å; R520-R524 WeakPolarHBondContact O-CG 3.23Å; R520-R524 PolarHBondContact O-N 3.43Å; H521-R524 PolarHBondContact O-N 3.19Å; R524-G528 PolarHBondContact O-N 3.32Å; R524-N576 PolarHBondContact NE-OD1 3.24Å; R524-N576 PolarHBondContact NH2-ND2 2.86Å; R524-L580 HydrophobicContact CB-CD1 4.29Å; R524-L580 HydrophobicContact CB-CD2 4.15Å; R524-L580 HydrophobicContact CG-CD1 4.44Å; R524-L580 HydrophobicContact CG-CD2 4.1Å |
| 525 | T | 91 | Very high | 87.3 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 31% | 0.307 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.4 | -43.2 | 176.4 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | H521 E522 L523 G528 N529 | H521-T525 PolarHBondContact O-N 2.85Å; H521-T525 PolarHBondContact O-OG1 3.29Å; E522-T525 VanDerWaalsContact O-CB 3.31Å; E522-T525 WeakPolarHBondContact O-CB 3.46Å; E522-T525 PolarHBondContact O-N 3.39Å; E522-T525 VanDerWaalsContact O-N 3.11Å; L523-T525 PolarHBondContact O-N 3.08Å; T525-G528 PolarHBondContact O-N 3.21Å; T525-N529 PolarHBondContact O-N 2.59Å; T525-N529 PolarHBondContact O-ND2 3.33Å |
| 526 | L | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 174 | -70.9 | 177.5 | 0 | 0 | 0 | 111.4 | F411 T423 L426 R427 L430 E522 L523 G528 N529 I530 | F411-L526 HydrophobicContact CE2-CD1 3.9Å; F411-L526 HydrophobicContact CZ-CD1 3.86Å; T423-L526 HydrophobicContact CG2-CD1 4.08Å; T423-L526 HydrophobicContact CG2-CG 4.39Å; L426-L526 HydrophobicContact CB-CD2 4.37Å; R427-L526 HydrophobicContact CB-CD2 3.9Å; L430-L526 HydrophobicContact CD1-CD2 3.92Å; E522-L526 PolarHBondContact O-N 3.4Å; L523-L526 PolarHBondContact O-N 2.92Å; L523-L526 VanDerWaalsContact O-N 3.15Å; L526-G528 VanDerWaalsContact C-N 3.25Å; L526-G528 PolarHBondContact O-N 2.85Å; L526-N529 WeakPolarHBondContact O-CB 3.26Å; L526-N529 PolarHBondContact O-N 3.26Å; L526-N529 VanDerWaalsContact O-N 3.08Å; L526-I530 WeakPolarHBondContact O-CG1 3.36Å; L526-I530 PolarHBondContact O-N 2.91Å |
| 527 | I | 92.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.4 | -64.1 | 179.3 | 0 | 0 | 0 | 110.7 | L493 C496 M500 L523 N529 I530 T531 L577 L580 | L493-I527 HydrophobicContact CD1-CG1 4.26Å; L493-I527 HydrophobicContact CD1-CG2 4.25Å; C496-I527 HydrophobicContact CB-CD1 3.85Å; C496-I527 HydrophobicContact CB-CG1 3.73Å; M500-I527 HydrophobicContact SD-CD1 3.3Å; M500-I527 WeakPolarHBondContact SD-CD1 3.27Å; L523-I527 WeakPolarHBondContact O-CG1 3.28Å; L523-I527 PolarHBondContact O-N 3.24Å; I527-N529 VanDerWaalsContact C-N 3.34Å; I527-N529 PolarHBondContact O-N 3.13Å; I527-I530 PolarHBondContact O-N 3.25Å; I527-T531 WeakPolarHBondContact O-CB 3.42Å; I527-T531 PolarHBondContact O-N 2.91Å; I527-T531 PolarHBondContact O-OG1 3.38Å; I527-L577 HydrophobicContact CD1-CD2 3.49Å; I527-L577 VanDerWaalsContact CD1-CD2 3.49Å; I527-L577 HydrophobicContact CG2-CD2 4.14Å; I527-L580 HydrophobicContact CB-CD2 4.12Å; I527-L580 HydrophobicContact CG2-CD2 3.83Å |
| 528 | G | 91.7 | Very high | 89.5 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 8% | 0.082 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.8 | -43.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R524 T525 L526 Q532 I584 | R524-G528 PolarHBondContact O-N 3.32Å; T525-G528 PolarHBondContact O-N 3.21Å; L526-G528 VanDerWaalsContact C-N 3.25Å; L526-G528 PolarHBondContact O-N 2.85Å; G528-Q532 WeakPolarHBondContact O-CG 3.36Å; G528-Q532 PolarHBondContact O-N 3.35Å; G528-Q532 VanDerWaalsContact O-N 3.15Å; G528-I584 VanDerWaalsContact CA-CD1 3.47Å |
| 529 | N | 89.8 | Confident | 90 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.5 | -41.9 | 175.8 | -72.4 | -27.3 | 0 | 0 | 0 | 112.3 | L430 K434 T525 L526 I527 Q532 L533 | L430-N529 HydrophobicContact CB-CB 4.02Å; L430-N529 HydrophobicContact CD1-CB 3.96Å; K434-N529 HydrophobicContact CD-CB 3.97Å; K434-N529 PolarHBondContact NZ-OD1 3.41Å; T525-N529 PolarHBondContact O-N 2.59Å; T525-N529 PolarHBondContact O-ND2 3.33Å; L526-N529 WeakPolarHBondContact O-CB 3.26Å; L526-N529 PolarHBondContact O-N 3.26Å; L526-N529 VanDerWaalsContact O-N 3.08Å; I527-N529 VanDerWaalsContact C-N 3.34Å; I527-N529 PolarHBondContact O-N 3.13Å; N529-Q532 PolarHBondContact O-N 3.4Å; N529-L533 PolarHBondContact O-N 3.03Å |
| 530 | I | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.3 | -66.5 | 168.1 | 0 | 0 | 0 | 111 | L430 V489 L492 L493 L526 I527 Q532 L533 D534 V538 | L430-I530 HydrophobicContact CD1-CD1 4.46Å; L430-I530 HydrophobicContact CD1-CG1 3.89Å; L430-I530 HydrophobicContact CD2-CG1 4.01Å; V489-I530 HydrophobicContact CG1-CB 4.39Å; V489-I530 HydrophobicContact CG1-CG1 4.27Å; V489-I530 HydrophobicContact CG1-CG2 3.6Å; L492-I530 HydrophobicContact CB-CD1 4.36Å; L492-I530 HydrophobicContact CD2-CD1 4.11Å; L492-I530 HydrophobicContact CG-CD1 3.99Å; L493-I530 HydrophobicContact CB-CD1 4.27Å; L493-I530 HydrophobicContact CB-CG2 4.33Å; L493-I530 HydrophobicContact CD1-CG2 4.28Å; L526-I530 WeakPolarHBondContact O-CG1 3.36Å; L526-I530 PolarHBondContact O-N 2.91Å; I527-I530 PolarHBondContact O-N 3.25Å; I530-Q532 VanDerWaalsContact C-N 3.27Å; I530-Q532 PolarHBondContact O-N 2.97Å; I530-L533 WeakPolarHBondContact O-CB 3.38Å; I530-L533 PolarHBondContact O-N 3.25Å; I530-D534 PolarHBondContact O-N 3.32Å; I530-V538 HydrophobicContact CG2-CG2 3.8Å |
| 531 | T | 90.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.7 | -37.6 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 111 | I527 L533 D534 Q535 V538 F581 I584 C585 | I527-T531 WeakPolarHBondContact O-CB 3.42Å; I527-T531 PolarHBondContact O-N 2.91Å; I527-T531 PolarHBondContact O-OG1 3.38Å; T531-L533 VanDerWaalsContact C-N 3.28Å; T531-L533 PolarHBondContact O-N 2.94Å; T531-D534 CarbonylContact O-C 3.44Å; T531-Q535 HydrophobicContact CG2-CG 4.4Å; T531-Q535 WeakPolarHBondContact O-CA 3.28Å; T531-Q535 WeakPolarHBondContact O-CG 3.48Å; T531-Q535 PolarHBondContact O-N 2.71Å; T531-V538 HydrophobicContact CG2-CG1 4.48Å; T531-F581 HydrophobicContact CG2-CD2 3.91Å; T531-F581 HydrophobicContact CG2-CE2 4.03Å; T531-I584 HydrophobicContact CG2-CB 4.33Å; T531-I584 HydrophobicContact CG2-CD1 4.24Å; T531-I584 HydrophobicContact CG2-CG2 3.97Å; T531-C585 VanDerWaalsContact CG2-SG 3.6Å |
| 532 | Q | 86.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 29.8 Ų | 29.8 | 40% | 0.397 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -71.1 | -21.5 | 176.1 | -71.7 | -179.6 | 16.6 | 0 | 0 | 113.7 | K434 G528 N529 I530 I584 | K434-Q532 HydrophobicContact CD-CB 4.46Å; G528-Q532 WeakPolarHBondContact O-CG 3.36Å; G528-Q532 PolarHBondContact O-N 3.35Å; G528-Q532 VanDerWaalsContact O-N 3.15Å; N529-Q532 PolarHBondContact O-N 3.4Å; I530-Q532 VanDerWaalsContact C-N 3.27Å; I530-Q532 PolarHBondContact O-N 2.97Å; Q532-I584 HydrophobicContact CG-CG2 3.82Å |
| 533 | L | 85.7 | Confident | 91.6 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.11 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -81.5 | -48.9 | 174.5 | -69.4 | 171.6 | 0 | 0 | 0 | 111.9 | L430 L433 K434 V437 V489 N529 I530 T531 | L430-L533 HydrophobicContact CD2-CD1 3.69Å; L433-L533 HydrophobicContact CB-CD1 4.01Å; L433-L533 HydrophobicContact CB-CD2 3.85Å; L433-L533 HydrophobicContact CD1-CD1 4.17Å; K434-L533 HydrophobicContact CB-CD2 4.23Å; K434-L533 HydrophobicContact CG-CD1 4.4Å; K434-L533 HydrophobicContact CG-CD2 3.51Å; K434-L533 HydrophobicContact CG-CG 3.74Å; V437-L533 HydrophobicContact CB-CD2 4.48Å; V437-L533 HydrophobicContact CG2-CD2 3.78Å; V489-L533 HydrophobicContact CG2-CD1 4.26Å; N529-L533 PolarHBondContact O-N 3.03Å; I530-L533 WeakPolarHBondContact O-CB 3.38Å; I530-L533 PolarHBondContact O-N 3.25Å; T531-L533 VanDerWaalsContact C-N 3.28Å; T531-L533 PolarHBondContact O-N 2.94Å |
| 534 | D | 87.7 | Confident | 91.8 | Very high | 55 Ų | 55 | 33.8 Ų | 33.8 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | trans | -140.1 | 84.9 | -178.8 | -169.2 | -15.9 | 0 | 0 | 0 | 111.1 | I530 T531 R536 F537 V538 | I530-D534 PolarHBondContact O-N 3.32Å; T531-D534 CarbonylContact O-C 3.44Å; D534-R536 PolarHBondContact O-N 3.46Å; D534-R536 PolarHBondContact OD1-N 3.38Å; D534-F537 HydrophobicContact CB-CB 4.25Å; D534-F537 WeakPolarHBondContact OD1-CB 3.45Å; D534-F537 PolarHBondContact OD1-N 3.19Å; D534-F537 VanDerWaalsContact OD2-CB 3.26Å; D534-F537 WeakPolarHBondContact OD2-CB 3.45Å; D534-V538 WeakPolarHBondContact O-CG2 3.43Å; D534-V538 PolarHBondContact O-N 2.96Å | ||
| 535 | Q | 90.9 | Very high | 91.9 | Very high | 63 Ų | 63 | 32.1 Ų | 32.1 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.7 | -34.2 | 179.2 | -64.3 | 177.1 | 16.5 | 0 | 0 | 111.9 | T531 L539 Y599 | T531-Q535 HydrophobicContact CG2-CG 4.4Å; T531-Q535 WeakPolarHBondContact O-CA 3.28Å; T531-Q535 WeakPolarHBondContact O-CG 3.48Å; T531-Q535 PolarHBondContact O-N 2.71Å; Q535-L539 VanDerWaalsContact O-CB 3.28Å; Q535-L539 WeakPolarHBondContact O-CB 3.28Å; Q535-L539 PolarHBondContact O-N 3.28Å; Q535-Y599 HydrophobicContact CB-CE2 3.53Å; Q535-Y599 HydrophobicContact CG-CE2 4.49Å |
| 536 | R | 91 | Very high | 92.1 | Very high | 97 Ų | 97 | 30 Ų | 30 | 37% | 0.366 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -70.8 | -49.3 | -174.3 | 179.9 | 64.1 | -163.3 | -176.6 | 4.1 | 110.8 | D534 V538 L539 D540 Y599 T602 | D534-R536 PolarHBondContact O-N 3.46Å; D534-R536 PolarHBondContact OD1-N 3.38Å; R536-V538 VanDerWaalsContact C-N 3.35Å; R536-V538 PolarHBondContact O-N 2.92Å; R536-L539 PolarHBondContact O-N 3.5Å; R536-D540 IonicContact CZ-OD1 3.38Å; R536-D540 VanDerWaalsContact CZ-OD1 3.25Å; R536-D540 IonicContact CZ-OD2 3.79Å; R536-D540 IonicContact NE-OD1 2.63Å; R536-D540 PolarHBondContact NE-OD1 3.33Å; R536-D540 IonicContact NE-OD2 3.7Å; R536-D540 PolarHBondContact NE-OD2 3.38Å; R536-D540 IonicContact NH2-OD1 2.71Å; R536-D540 PolarHBondContact NH2-OD1 2.6Å; R536-D540 IonicContact NH2-OD2 3.31Å; R536-D540 PolarHBondContact NH2-OD2 2.63Å; R536-D540 WeakPolarHBondContact O-CB 3.48Å; R536-D540 PolarHBondContact O-N 2.99Å; R536-Y599 HydrophobicContact CB-CE1 3.86Å; R536-Y599 HydrophobicContact CG-CE1 4.31Å; R536-T602 PolarHBondContact NH1-OG1 3.18Å |
| 537 | F | 91.3 | Very high | 92.2 | Very high | 41 Ų | 41 | 36.4 Ų | 36.4 | 18% | 0.18 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 179.1 | 175.1 | -102.5 | 0 | 0 | 0 | 112.2 | K490 L493 F494 D534 L539 D540 T541 | K490-F537 HydrophobicContact CB-CE1 3.84Å; K490-F537 HydrophobicContact CB-CZ 3.74Å; K490-F537 HydrophobicContact CD-CD2 4.19Å; K490-F537 HydrophobicContact CD-CE1 4.34Å; K490-F537 HydrophobicContact CD-CE2 3.77Å; K490-F537 HydrophobicContact CD-CZ 3.87Å; K490-F537 HydrophobicContact CG-CD1 3.92Å; K490-F537 HydrophobicContact CG-CD2 4.26Å; K490-F537 HydrophobicContact CG-CE1 3.48Å; K490-F537 VanDerWaalsContact CG-CE1 3.48Å; K490-F537 HydrophobicContact CG-CE2 3.85Å; K490-F537 HydrophobicContact CG-CG 4.29Å; K490-F537 HydrophobicContact CG-CZ 3.45Å; K490-F537 VanDerWaalsContact CG-CZ 3.45Å; L493-F537 HydrophobicContact CD2-CD1 3.91Å; L493-F537 HydrophobicContact CD2-CE1 3.5Å; F494-F537 AromaticContact CE2-CZ 3.95Å; F494-F537 HydrophobicContact CE2-CZ 3.95Å; F494-F537 HydrophobicContact CZ-CZ 4.25Å; D534-F537 HydrophobicContact CB-CB 4.25Å; D534-F537 WeakPolarHBondContact OD1-CB 3.45Å; D534-F537 PolarHBondContact OD1-N 3.19Å; D534-F537 VanDerWaalsContact OD2-CB 3.26Å; D534-F537 WeakPolarHBondContact OD2-CB 3.45Å; F537-L539 VanDerWaalsContact C-N 3.35Å; F537-L539 PolarHBondContact O-N 2.88Å; F537-D540 PolarHBondContact O-N 2.93Å; F537-T541 WeakPolarHBondContact O-CB 3.29Å; F537-T541 PolarHBondContact O-N 3.21Å; F537-T541 PolarHBondContact O-OG1 3.11Å |
| 538 | V | 93.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L493 I530 T531 D534 R536 T541 I542 F581 | L493-V538 HydrophobicContact CD1-CG2 4.37Å; L493-V538 HydrophobicContact CD2-CB 4.48Å; L493-V538 HydrophobicContact CD2-CG2 3.83Å; I530-V538 HydrophobicContact CG2-CG2 3.8Å; T531-V538 HydrophobicContact CG2-CG1 4.48Å; D534-V538 WeakPolarHBondContact O-CG2 3.43Å; D534-V538 PolarHBondContact O-N 2.96Å; R536-V538 VanDerWaalsContact C-N 3.35Å; R536-V538 PolarHBondContact O-N 2.92Å; V538-T541 WeakPolarHBondContact O-CB 3.33Å; V538-T541 PolarHBondContact O-N 2.81Å; V538-I542 HydrophobicContact CG1-CD1 3.92Å; V538-I542 VanDerWaalsContact O-CG1 3.3Å; V538-I542 WeakPolarHBondContact O-CG1 3.41Å; V538-I542 PolarHBondContact O-N 2.9Å; V538-F581 HydrophobicContact CG1-CD2 4.35Å |
| 539 | L | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -40.4 | 178.8 | -174.4 | 63.2 | 0 | 0 | 0 | 112.9 | Q535 R536 F537 T541 I542 H543 F581 Y599 T602 M603 I606 | Q535-L539 VanDerWaalsContact O-CB 3.28Å; Q535-L539 WeakPolarHBondContact O-CB 3.28Å; Q535-L539 PolarHBondContact O-N 3.28Å; R536-L539 PolarHBondContact O-N 3.5Å; F537-L539 VanDerWaalsContact C-N 3.35Å; F537-L539 PolarHBondContact O-N 2.88Å; L539-T541 VanDerWaalsContact C-N 3.29Å; L539-T541 PolarHBondContact O-N 3.25Å; L539-I542 PolarHBondContact O-N 2.86Å; L539-H543 WeakPolarHBondContact O-CB 3.4Å; L539-H543 PolarHBondContact O-N 3.25Å; L539-F581 HydrophobicContact CB-CE2 3.81Å; L539-F581 HydrophobicContact CB-CZ 3.91Å; L539-F581 HydrophobicContact CD1-CD1 4.08Å; L539-F581 HydrophobicContact CD1-CD2 4.41Å; L539-F581 HydrophobicContact CD1-CE1 3.84Å; L539-F581 HydrophobicContact CD1-CE2 4.18Å; L539-F581 HydrophobicContact CD1-CG 4.36Å; L539-F581 HydrophobicContact CD1-CZ 3.89Å; L539-F581 HydrophobicContact CD2-CE1 4.28Å; L539-F581 HydrophobicContact CD2-CZ 3.96Å; L539-F581 HydrophobicContact CG-CE1 4.49Å; L539-F581 HydrophobicContact CG-CE2 4.43Å; L539-F581 HydrophobicContact CG-CZ 4.13Å; L539-Y599 HydrophobicContact CD2-CD2 4.26Å; L539-Y599 HydrophobicContact CD2-CG 3.89Å; L539-T602 HydrophobicContact CD1-CG2 4.48Å; L539-T602 HydrophobicContact CD2-CG2 3.8Å; L539-T602 HydrophobicContact CG-CG2 3.72Å; L539-M603 HydrophobicContact CD1-SD 3.71Å; L539-M603 HydrophobicContact CD2-CG 4.38Å; L539-M603 HydrophobicContact CD2-SD 4.27Å; L539-I606 HydrophobicContact CD1-CD1 3.65Å; L539-I606 HydrophobicContact CG-CD1 4.41Å |
| 540 | D | 94.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 175.4 | -76.9 | -31.3 | 0 | 0 | 0 | 111.1 | R536 F537 H543 Q544 | R536-D540 IonicContact CZ-OD1 3.38Å; R536-D540 VanDerWaalsContact CZ-OD1 3.25Å; R536-D540 IonicContact CZ-OD2 3.79Å; R536-D540 IonicContact NE-OD1 2.63Å; R536-D540 PolarHBondContact NE-OD1 3.33Å; R536-D540 IonicContact NE-OD2 3.7Å; R536-D540 PolarHBondContact NE-OD2 3.38Å; R536-D540 IonicContact NH2-OD1 2.71Å; R536-D540 PolarHBondContact NH2-OD1 2.6Å; R536-D540 IonicContact NH2-OD2 3.31Å; R536-D540 PolarHBondContact NH2-OD2 2.63Å; R536-D540 WeakPolarHBondContact O-CB 3.48Å; R536-D540 PolarHBondContact O-N 2.99Å; F537-D540 PolarHBondContact O-N 2.93Å; D540-H543 WeakPolarHBondContact O-CB 3.28Å; D540-H543 PolarHBondContact O-N 3.5Å; D540-Q544 WeakPolarHBondContact O-CG 3.21Å; D540-Q544 PolarHBondContact O-N 3.14Å |
| 541 | T | 94.7 | Very high | 92 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -48.8 | 173 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | L493 F494 I497 F537 V538 L539 H543 Q544 L545 | L493-T541 HydrophobicContact CD2-CG2 4.35Å; F494-T541 HydrophobicContact CE1-CG2 3.92Å; F494-T541 HydrophobicContact CZ-CG2 4.28Å; I497-T541 HydrophobicContact CD1-CG2 3.88Å; F537-T541 WeakPolarHBondContact O-CB 3.29Å; F537-T541 PolarHBondContact O-N 3.21Å; F537-T541 PolarHBondContact O-OG1 3.11Å; V538-T541 WeakPolarHBondContact O-CB 3.33Å; V538-T541 PolarHBondContact O-N 2.81Å; L539-T541 VanDerWaalsContact C-N 3.29Å; L539-T541 PolarHBondContact O-N 3.25Å; T541-H543 VanDerWaalsContact C-N 3.27Å; T541-H543 PolarHBondContact O-N 3.36Å; T541-Q544 WeakPolarHBondContact O-CB 3.31Å; T541-Q544 PolarHBondContact O-N 2.8Å; T541-Q544 VanDerWaalsContact O-N 3.15Å; T541-L545 HydrophobicContact CG2-CD1 4.32Å; T541-L545 WeakPolarHBondContact O-CG 3.48Å; T541-L545 PolarHBondContact O-N 2.91Å |
| 542 | I | 95.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.7 | -42.1 | 175.5 | -67.7 | 165.8 | 0 | 0 | 0 | 110.7 | V538 L539 Q544 L545 V546 L577 F578 F581 I606 | V538-I542 HydrophobicContact CG1-CD1 3.92Å; V538-I542 VanDerWaalsContact O-CG1 3.3Å; V538-I542 WeakPolarHBondContact O-CG1 3.41Å; V538-I542 PolarHBondContact O-N 2.9Å; L539-I542 PolarHBondContact O-N 2.86Å; I542-Q544 VanDerWaalsContact C-N 3.34Å; I542-Q544 PolarHBondContact O-N 3.27Å; I542-L545 PolarHBondContact O-N 3.1Å; I542-V546 HydrophobicContact CG2-CG2 4.2Å; I542-V546 VanDerWaalsContact O-CG2 3.29Å; I542-V546 WeakPolarHBondContact O-CG2 3.33Å; I542-V546 PolarHBondContact O-N 3.03Å; I542-L577 HydrophobicContact CD1-CB 4.21Å; I542-L577 HydrophobicContact CG1-CB 4.01Å; I542-F578 HydrophobicContact CG2-CB 3.82Å; I542-F578 HydrophobicContact CG2-CD2 3.94Å; I542-F578 HydrophobicContact CG2-CG 4.3Å; I542-F581 HydrophobicContact CD1-CB 3.88Å; I542-F581 HydrophobicContact CD1-CD2 4.11Å; I542-F581 HydrophobicContact CD1-CG 4.24Å; I542-I606 HydrophobicContact CG2-CD1 4.31Å |
| 543 | H | 96.3 | Very high | 91.7 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.065 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.3 | -169.9 | -176.1 | 0 | 0 | 0 | 112.4 | L539 D540 T541 V546 R547 T602 S605 I606 | L539-H543 WeakPolarHBondContact O-CB 3.4Å; L539-H543 PolarHBondContact O-N 3.25Å; D540-H543 WeakPolarHBondContact O-CB 3.28Å; D540-H543 PolarHBondContact O-N 3.5Å; T541-H543 VanDerWaalsContact C-N 3.27Å; T541-H543 PolarHBondContact O-N 3.36Å; H543-V546 PolarHBondContact O-N 3.12Å; H543-R547 PolarHBondContact CE1-NH2 3.09Å; H543-R547 PolarHBondContact NE2-NE 2.94Å; H543-R547 VanDerWaalsContact NE2-NE 3.13Å; H543-R547 PolarHBondContact NE2-NH2 3.2Å; H543-R547 VanDerWaalsContact NE2-NH2 3.16Å; H543-R547 WeakPolarHBondContact O-CG 3.42Å; H543-R547 PolarHBondContact O-N 2.66Å; H543-T602 HydrophobicContact CB-CG2 4.23Å; H543-S605 PolarHBondContact CE1-OG 3.14Å; H543-S605 PolarHBondContact NE2-OG 3.46Å; H543-I606 HydrophobicContact CB-CD1 4.01Å; H543-I606 HydrophobicContact CB-CG1 4.01Å |
| 544 | Q | 95.4 | Very high | 91.5 | Very high | 123 Ų | 123 | 48.2 Ų | 48.2 | 58% | 0.575 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -63.5 | -43.8 | 174.6 | -70.7 | 177.6 | -4.2 | 0 | 0 | 111.6 | D540 T541 I542 R547 H548 | D540-Q544 WeakPolarHBondContact O-CG 3.21Å; D540-Q544 PolarHBondContact O-N 3.14Å; T541-Q544 WeakPolarHBondContact O-CB 3.31Å; T541-Q544 PolarHBondContact O-N 2.8Å; T541-Q544 VanDerWaalsContact O-N 3.15Å; I542-Q544 VanDerWaalsContact C-N 3.34Å; I542-Q544 PolarHBondContact O-N 3.27Å; Q544-R547 PolarHBondContact O-N 3.16Å; Q544-H548 WeakPolarHBondContact O-CB 3.32Å; Q544-H548 PolarHBondContact O-N 3.29Å |
| 545 | L | 93.9 | Very high | 91 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.131 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 176.5 | -64.5 | 174.7 | 0 | 0 | 0 | 111.8 | I497 T541 I542 R547 H548 S549 T574 L577 | I497-L545 HydrophobicContact CD1-CD1 4.24Å; I497-L545 HydrophobicContact CG2-CD1 4.37Å; T541-L545 HydrophobicContact CG2-CD1 4.32Å; T541-L545 WeakPolarHBondContact O-CG 3.48Å; T541-L545 PolarHBondContact O-N 2.91Å; I542-L545 PolarHBondContact O-N 3.1Å; L545-R547 PolarHBondContact O-N 3.25Å; L545-H548 PolarHBondContact O-N 3.44Å; L545-S549 WeakPolarHBondContact O-CB 3.06Å; L545-S549 PolarHBondContact O-N 3.04Å; L545-S549 PolarHBondContact O-OG 3.26Å; L545-S549 VanDerWaalsContact O-OG 3.13Å; L545-T574 HydrophobicContact CB-CG2 4.02Å; L545-L577 HydrophobicContact CD1-CD1 3.76Å |
| 546 | V | 94.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | I542 H543 H548 S549 H550 T574 I606 I609 L610 | I542-V546 HydrophobicContact CG2-CG2 4.2Å; I542-V546 VanDerWaalsContact O-CG2 3.29Å; I542-V546 WeakPolarHBondContact O-CG2 3.33Å; I542-V546 PolarHBondContact O-N 3.03Å; H543-V546 PolarHBondContact O-N 3.12Å; V546-H548 VanDerWaalsContact C-N 3.33Å; V546-H548 PolarHBondContact O-N 3.34Å; V546-S549 PolarHBondContact O-N 3.32Å; V546-H550 WeakPolarHBondContact O-CB 3.44Å; V546-H550 PolarHBondContact O-N 3.45Å; V546-T574 HydrophobicContact CB-CG2 4.13Å; V546-T574 HydrophobicContact CG2-CG2 3.44Å; V546-T574 VanDerWaalsContact CG2-CG2 3.44Å; V546-I606 HydrophobicContact CG1-CG2 4.31Å; V546-I606 HydrophobicContact CG2-CG2 4.03Å; V546-I609 HydrophobicContact CG1-CB 4.03Å; V546-I609 HydrophobicContact CG1-CD1 4.34Å; V546-I609 HydrophobicContact CG1-CG2 3.74Å; V546-L610 HydrophobicContact CG1-CD2 4.06Å; V546-L610 HydrophobicContact CG1-CG 4.27Å |
| 547 | R | 94.1 | Very high | 87.6 | Confident | 135 Ų | 135 | 47.5 Ų | 47.5 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 175.8 | -75.8 | 176 | 177.3 | 160.8 | -5 | 111.9 | H543 Q544 L545 H550 H551 I609 | H543-R547 PolarHBondContact CE1-NH2 3.09Å; H543-R547 PolarHBondContact NE2-NE 2.94Å; H543-R547 VanDerWaalsContact NE2-NE 3.13Å; H543-R547 PolarHBondContact NE2-NH2 3.2Å; H543-R547 VanDerWaalsContact NE2-NH2 3.16Å; H543-R547 WeakPolarHBondContact O-CG 3.42Å; H543-R547 PolarHBondContact O-N 2.66Å; Q544-R547 PolarHBondContact O-N 3.16Å; L545-R547 PolarHBondContact O-N 3.25Å; R547-H550 PolarHBondContact O-N 3.01Å; R547-H551 PolarHBondContact O-N 3.32Å; R547-I609 HydrophobicContact CG-CD1 3.7Å |
| 548 | H | 92.2 | Very high | 85.2 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 43% | 0.431 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 177 | -176.2 | 67.7 | 0 | 0 | 0 | 111.5 | Q544 L545 V546 H550 H551 L552 | Q544-H548 WeakPolarHBondContact O-CB 3.32Å; Q544-H548 PolarHBondContact O-N 3.29Å; L545-H548 PolarHBondContact O-N 3.44Å; V546-H548 VanDerWaalsContact C-N 3.33Å; V546-H548 PolarHBondContact O-N 3.34Å; H548-H550 VanDerWaalsContact C-N 3.31Å; H548-H550 PolarHBondContact O-N 3.37Å; H548-H551 WeakPolarHBondContact O-CB 3.21Å; H548-H551 PolarHBondContact O-N 2.9Å; H548-H551 VanDerWaalsContact O-N 3.09Å; H548-L552 WeakPolarHBondContact O-CG 3.46Å; H548-L552 PolarHBondContact O-N 2.76Å |
| 549 | S | 90.3 | Very high | 83 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 5% | 0.049 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 175 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | L545 V546 L552 L553 T574 | L545-S549 WeakPolarHBondContact O-CB 3.06Å; L545-S549 PolarHBondContact O-N 3.04Å; L545-S549 PolarHBondContact O-OG 3.26Å; L545-S549 VanDerWaalsContact O-OG 3.13Å; V546-S549 PolarHBondContact O-N 3.32Å; S549-L552 PolarHBondContact O-N 2.72Å; S549-L553 WeakPolarHBondContact O-CG 3.47Å; S549-L553 PolarHBondContact O-N 2.86Å; S549-L553 VanDerWaalsContact O-N 3.07Å; S549-T574 PolarHBondContact OG-OG1 3.03Å |
| 550 | H | 89.8 | Confident | 81 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 21% | 0.213 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.9 | -177.9 | 65.9 | 0 | 0 | 0 | 112.4 | V546 R547 H548 L553 N554 I609 S612 S614 | V546-H550 WeakPolarHBondContact O-CB 3.44Å; V546-H550 PolarHBondContact O-N 3.45Å; R547-H550 PolarHBondContact O-N 3.01Å; H548-H550 VanDerWaalsContact C-N 3.31Å; H548-H550 PolarHBondContact O-N 3.37Å; H550-L553 PolarHBondContact O-N 3.29Å; H550-N554 PolarHBondContact CD2-ND2 3.12Å; H550-N554 PolarHBondContact CE1-ND2 2.98Å; H550-N554 VanDerWaalsContact CE1-ND2 3.25Å; H550-N554 PolarHBondContact NE2-ND2 2.72Å; H550-N554 VanDerWaalsContact O-CG 3.24Å; H550-N554 PolarHBondContact O-N 3.25Å; H550-N554 PolarHBondContact O-ND2 3.48Å; H550-I609 HydrophobicContact CB-CG2 3.59Å; H550-S612 PolarHBondContact CE1-OG 3.02Å; H550-S612 PolarHBondContact ND1-OG 3.46Å; H550-S614 PolarHBondContact CE1-OG 3.48Å; H550-S614 VanDerWaalsContact CE1-OG 3.23Å; H550-S614 PolarHBondContact ND1-OG 3.23Å |
| 551 | H | 89.1 | Confident | 79 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 173.8 | -176.7 | -79.1 | 0 | 0 | 0 | 111.6 | R547 H548 L553 N554 S555 | R547-H551 PolarHBondContact O-N 3.32Å; H548-H551 WeakPolarHBondContact O-CB 3.21Å; H548-H551 PolarHBondContact O-N 2.9Å; H548-H551 VanDerWaalsContact O-N 3.09Å; H551-L553 VanDerWaalsContact C-N 3.27Å; H551-L553 PolarHBondContact O-N 3.21Å; H551-N554 PolarHBondContact O-N 3.32Å; H551-N554 VanDerWaalsContact O-N 3.09Å; H551-S555 PolarHBondContact CE1-OG 3.03Å; H551-S555 PolarHBondContact ND1-OG 3.33Å; H551-S555 VanDerWaalsContact ND1-OG 3.1Å; H551-S555 WeakPolarHBondContact O-CB 3.45Å; H551-S555 PolarHBondContact O-N 3.23Å; H551-S555 PolarHBondContact O-OG 2.79Å |
| 552 | L | 86.9 | Confident | 77.2 | Confident | 19 Ų | 19 | 78.2 Ų | 78.2 | 10% | 0.099 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.4 | -41.2 | 176.6 | -68 | 176.4 | 0 | 0 | 0 | 112.2 | H548 S549 S556 H567 Q570 | H548-L552 WeakPolarHBondContact O-CG 3.46Å; H548-L552 PolarHBondContact O-N 2.76Å; S549-L552 PolarHBondContact O-N 2.72Å; L552-S556 PolarHBondContact O-OG 3.33Å; L552-H567 HydrophobicContact CD1-CB 4.27Å; L552-Q570 HydrophobicContact CD1-CG 4.33Å |
| 553 | L | 84.5 | Confident | 76 | Confident | 25 Ų | 25 | 80.4 Ų | 80.4 | 13% | 0.131 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 176.6 | -71.3 | 168.4 | 0 | 0 | 0 | 112.7 | S549 H550 H551 F563 I571 V615 L618 | S549-L553 WeakPolarHBondContact O-CG 3.47Å; S549-L553 PolarHBondContact O-N 2.86Å; S549-L553 VanDerWaalsContact O-N 3.07Å; H550-L553 PolarHBondContact O-N 3.29Å; H551-L553 VanDerWaalsContact C-N 3.27Å; H551-L553 PolarHBondContact O-N 3.21Å; L553-F563 HydrophobicContact CD2-CE2 4.29Å; L553-F563 HydrophobicContact CD2-CZ 4Å; L553-I571 HydrophobicContact CD1-CD1 4.41Å; L553-I571 HydrophobicContact CD2-CD1 3.88Å; L553-I571 HydrophobicContact CG-CD1 4.02Å; L553-V615 HydrophobicContact CD1-CB 4.48Å; L553-V615 HydrophobicContact CD1-CG2 4Å; L553-L618 HydrophobicContact CD1-CD2 4.05Å; L553-L618 HydrophobicContact CD2-CD2 4.12Å |
| 554 | N | 82.4 | Confident | 75.2 | Confident | 86 Ų | 86 | 82.7 Ų | 82.7 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -82.5 | -31.9 | -178.8 | -67.8 | -15.5 | 0 | 0 | 0 | 113.9 | H550 H551 S556 S614 | H550-N554 PolarHBondContact CD2-ND2 3.12Å; H550-N554 PolarHBondContact CE1-ND2 2.98Å; H550-N554 VanDerWaalsContact CE1-ND2 3.25Å; H550-N554 PolarHBondContact NE2-ND2 2.72Å; H550-N554 VanDerWaalsContact O-CG 3.24Å; H550-N554 PolarHBondContact O-N 3.25Å; H550-N554 PolarHBondContact O-ND2 3.48Å; H551-N554 PolarHBondContact O-N 3.32Å; H551-N554 VanDerWaalsContact O-N 3.09Å; N554-S556 PolarHBondContact O-N 2.99Å; N554-S614 WeakPolarHBondContact OD1-CB 3.24Å; N554-S614 PolarHBondContact OD1-OG 3.43Å |
| 555 | S | 75.4 | Confident | 74.5 | Confident | 71 Ų | 71 | 80.3 Ų | 80.3 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -73.7 | -13.7 | -179.2 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | H551 G557 | H551-S555 PolarHBondContact CE1-OG 3.03Å; H551-S555 PolarHBondContact ND1-OG 3.33Å; H551-S555 VanDerWaalsContact ND1-OG 3.1Å; H551-S555 WeakPolarHBondContact O-CB 3.45Å; H551-S555 PolarHBondContact O-N 3.23Å; H551-S555 PolarHBondContact O-OG 2.79Å; S555-G557 VanDerWaalsContact C-N 3.3Å; S555-G557 PolarHBondContact O-N 3.23Å |
| 556 | S | 59.6 | Low | 73.9 | Confident | 55 Ų | 55 | 86 Ų | 86 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | trans | -83 | 70.8 | -177.8 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | L552 N554 M558 | L552-S556 PolarHBondContact O-OG 3.33Å; N554-S556 PolarHBondContact O-N 2.99Å; S556-M558 PolarHBondContact O-N 3.25Å | ||
| 557 | G | 52 | Low | 73.5 | Confident | 73 Ų | 73 | 88.6 Ų | 88.6 | 75% | 0.753 | 47% | 0.473 | S | S | * | . | trans | -79.5 | 12.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S555 | S555-G557 VanDerWaalsContact C-N 3.3Å; S555-G557 PolarHBondContact O-N 3.23Å | ||
| 558 | M | 41.7 | Very low | 73.2 | Confident | 170 Ų | 170 | 83 Ų | 83 | 84% | 0.837 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -107.4 | 150.1 | -177.7 | -71.8 | -77.1 | 115.9 | 0 | 0 | 110.3 | S556 | S556-M558 PolarHBondContact O-N 3.25Š|
| 559 | E | 46.8 | Very low | 72.9 | Confident | 167 Ų | 167 | 80.5 Ų | 80.5 | 78% | 0.78 | 44% | 0.442 | S | S | * | . | trans | -38.1 | 136.4 | -169.2 | -62.9 | 179 | 156.7 | 0 | 0 | 115.7 | S561 | E559-S561 PolarHBondContact O-N 3.04Š| ||
| 560 | K | 51.2 | Low | 72.9 | Confident | 210 Ų | 210 | 81.4 Ų | 81.4 | 91% | 0.913 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 14.8 | -175.6 | -70.4 | 178.1 | 175 | 175.7 | 0 | 116 | ||
| 561 | S | 52.4 | Low | 72.9 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 67% | 0.671 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | -5.4 | -169.1 | 43.3 | 0 | 0 | 0 | 0 | 115.2 | E559 | E559-S561 PolarHBondContact O-N 3.04Š|
| 562 | S | 57.2 | Low | 73 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 72% | 0.72 | 41% | 0.41 | S | S | * | . | trans | -151.5 | 81.1 | 173.8 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 563 | F | 70.4 | Confident | 73.2 | Confident | 50 Ų | 50 | 73 Ų | 73 | 22% | 0.219 | 41% | 0.406 | C | S | . | . | trans | -81.1 | 125.4 | 168.7 | -153.8 | -93.4 | 0 | 0 | 0 | 108.7 | L553 L565 H567 L568 I571 P619 | L553-F563 HydrophobicContact CD2-CE2 4.29Å; L553-F563 HydrophobicContact CD2-CZ 4Å; F563-L565 PolarHBondContact O-N 3.03Å; F563-H567 HydrophobicContact CD1-CB 3.82Å; F563-H567 HydrophobicContact CE1-CB 3.29Å; F563-H567 HydrophobicContact CZ-CB 4.07Å; F563-L568 HydrophobicContact CB-CD2 4.32Å; F563-L568 HydrophobicContact CD1-CD2 3.26Å; F563-L568 HydrophobicContact CD1-CG 3.68Å; F563-L568 HydrophobicContact CE1-CD2 3.73Å; F563-L568 HydrophobicContact CE1-CG 4.34Å; F563-L568 HydrophobicContact CG-CD2 4.04Å; F563-I571 HydrophobicContact CE1-CD1 3.83Å; F563-I571 HydrophobicContact CZ-CD1 3.98Å; F563-P619 HydrophobicContact CB-CG 4.34Å; F563-P619 HydrophobicContact CG-CG 4.29Å | ||
| 564 | P | 79.3 | Confident | 73.7 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | trans | -57.3 | 137.2 | -179.1 | -25.8 | 34.5 | 0 | 0 | 0 | 112.2 | E566 H567 L568 | P564-E566 VanDerWaalsContact C-N 3.28Å; P564-E566 PolarHBondContact O-N 2.68Å; P564-H567 WeakPolarHBondContact O-CB 3.32Å; P564-H567 PolarHBondContact O-N 2.66Å; P564-H567 VanDerWaalsContact O-N 3.09Å; P564-L568 PolarHBondContact O-N 3.1Å | ||
| 565 | L | 81 | Confident | 74.2 | Confident | 73 Ų | 73 | 68 Ų | 68 | 38% | 0.382 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.3 | -41.9 | -179.1 | 176.7 | 56 | 0 | 0 | 0 | 112.1 | L503 I505 F563 H567 L568 Q569 | L503-L565 HydrophobicContact CD2-CD1 4.49Å; I505-L565 HydrophobicContact CD1-CD1 3.63Å; I505-L565 HydrophobicContact CD1-CD2 3.6Å; I505-L565 HydrophobicContact CD1-CG 4.25Å; I505-L565 HydrophobicContact CG1-CD1 4.26Å; F563-L565 PolarHBondContact O-N 3.03Å; L565-H567 PolarHBondContact O-N 3.35Å; L565-L568 WeakPolarHBondContact O-CA 3.42Å; L565-L568 WeakPolarHBondContact O-CB 3.37Å; L565-L568 PolarHBondContact O-N 3.32Å; L565-Q569 HydrophobicContact CD1-CG 4.11Å; L565-Q569 HydrophobicContact CG-CG 4.27Å; L565-Q569 WeakPolarHBondContact O-CG 3.47Å; L565-Q569 PolarHBondContact O-N 3.05Å |
| 566 | E | 82.1 | Confident | 75 | Confident | 146 Ų | 146 | 65.2 Ų | 65.2 | 68% | 0.682 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -56 | -39.5 | 177.7 | -64 | 179.1 | -177.2 | 0 | 0 | 112.2 | P564 Q569 Q570 | P564-E566 VanDerWaalsContact C-N 3.28Å; P564-E566 PolarHBondContact O-N 2.68Å; E566-Q569 PolarHBondContact O-N 3.19Å; E566-Q570 WeakPolarHBondContact O-CB 3.43Å; E566-Q570 PolarHBondContact O-N 3.21Å |
| 567 | H | 85.9 | Confident | 76.6 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.4 | -36.2 | 177.1 | -63.5 | 173.3 | 0 | 0 | 0 | 111.6 | L552 F563 P564 L565 Q570 I571 | L552-H567 HydrophobicContact CD1-CB 4.27Å; F563-H567 HydrophobicContact CD1-CB 3.82Å; F563-H567 HydrophobicContact CE1-CB 3.29Å; F563-H567 HydrophobicContact CZ-CB 4.07Å; P564-H567 WeakPolarHBondContact O-CB 3.32Å; P564-H567 PolarHBondContact O-N 2.66Å; P564-H567 VanDerWaalsContact O-N 3.09Å; L565-H567 PolarHBondContact O-N 3.35Å; H567-Q570 PolarHBondContact O-N 3.41Å; H567-I571 WeakPolarHBondContact O-CD1 3.28Å; H567-I571 VanDerWaalsContact O-CG1 3.24Å; H567-I571 WeakPolarHBondContact O-CG1 3.39Å; H567-I571 PolarHBondContact O-N 3.2Å |
| 568 | L | 86.7 | Confident | 78.6 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 175.2 | -59.9 | 178.6 | 0 | 0 | 0 | 111.7 | L503 F563 P564 L565 Q570 I571 D572 P619 L623 | L503-L568 HydrophobicContact CD2-CB 3.8Å; L503-L568 HydrophobicContact CD2-CD1 4.1Å; F563-L568 HydrophobicContact CB-CD2 4.32Å; F563-L568 HydrophobicContact CD1-CD2 3.26Å; F563-L568 HydrophobicContact CD1-CG 3.68Å; F563-L568 HydrophobicContact CE1-CD2 3.73Å; F563-L568 HydrophobicContact CE1-CG 4.34Å; F563-L568 HydrophobicContact CG-CD2 4.04Å; P564-L568 PolarHBondContact O-N 3.1Å; L565-L568 WeakPolarHBondContact O-CA 3.42Å; L565-L568 WeakPolarHBondContact O-CB 3.37Å; L565-L568 PolarHBondContact O-N 3.32Å; L568-Q570 VanDerWaalsContact C-N 3.29Å; L568-Q570 PolarHBondContact O-N 3Å; L568-I571 PolarHBondContact O-N 3.07Å; L568-D572 PolarHBondContact O-N 2.87Å; L568-P619 HydrophobicContact CD2-CG 3.62Å; L568-L623 HydrophobicContact CB-CD1 4.29Å; L568-L623 HydrophobicContact CD2-CD1 3.87Å |
| 569 | Q | 87.3 | Confident | 81.1 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.4 | -70.1 | 171 | -27.3 | 0 | 0 | 111.1 | K501 L503 L565 E566 I571 D572 V573 | K501-Q569 HydrophobicContact CB-CB 4.2Å; K501-Q569 PolarHBondContact O-NE2 3.03Å; L503-Q569 HydrophobicContact CB-CG 4.09Å; L565-Q569 HydrophobicContact CD1-CG 4.11Å; L565-Q569 HydrophobicContact CG-CG 4.27Å; L565-Q569 WeakPolarHBondContact O-CG 3.47Å; L565-Q569 PolarHBondContact O-N 3.05Å; E566-Q569 PolarHBondContact O-N 3.19Å; Q569-I571 PolarHBondContact O-N 3.21Å; Q569-D572 WeakPolarHBondContact O-CB 3.44Å; Q569-D572 PolarHBondContact O-N 3.28Å; Q569-V573 WeakPolarHBondContact O-CG2 3.24Å; Q569-V573 PolarHBondContact O-N 3.19Å |
| 570 | Q | 89.2 | Confident | 83.3 | Confident | 25 Ų | 25 | 47.5 Ų | 47.5 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.3 | -174 | 57.6 | 64 | 0 | 0 | 112 | L552 E566 H567 L568 T574 | L552-Q570 HydrophobicContact CD1-CG 4.33Å; E566-Q570 WeakPolarHBondContact O-CB 3.43Å; E566-Q570 PolarHBondContact O-N 3.21Å; H567-Q570 PolarHBondContact O-N 3.41Å; L568-Q570 VanDerWaalsContact C-N 3.29Å; L568-Q570 PolarHBondContact O-N 3Å; Q570-T574 WeakPolarHBondContact O-CB 3.47Å; Q570-T574 PolarHBondContact O-N 3.41Å; Q570-T574 VanDerWaalsContact O-N 3.16Å; Q570-T574 PolarHBondContact O-OG1 2.84Å |
| 571 | I | 90.4 | Very high | 85.3 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -41.8 | 175.8 | -65.7 | 163.5 | 0 | 0 | 0 | 110.9 | L553 F563 H567 L568 Q569 V573 T574 L575 L618 L623 | L553-I571 HydrophobicContact CD1-CD1 4.41Å; L553-I571 HydrophobicContact CD2-CD1 3.88Å; L553-I571 HydrophobicContact CG-CD1 4.02Å; F563-I571 HydrophobicContact CE1-CD1 3.83Å; F563-I571 HydrophobicContact CZ-CD1 3.98Å; H567-I571 WeakPolarHBondContact O-CD1 3.28Å; H567-I571 VanDerWaalsContact O-CG1 3.24Å; H567-I571 WeakPolarHBondContact O-CG1 3.39Å; H567-I571 PolarHBondContact O-N 3.2Å; L568-I571 PolarHBondContact O-N 3.07Å; Q569-I571 PolarHBondContact O-N 3.21Å; I571-V573 PolarHBondContact O-N 3.26Å; I571-T574 WeakPolarHBondContact O-CB 3.4Å; I571-T574 PolarHBondContact O-N 2.98Å; I571-L575 HydrophobicContact CG2-CD1 3.96Å; I571-L575 HydrophobicContact CG2-CG 4.2Å; I571-L575 WeakPolarHBondContact O-CG 3.39Å; I571-L575 PolarHBondContact O-N 3.22Å; I571-L618 HydrophobicContact CG2-CD2 4.23Å; I571-L623 HydrophobicContact CB-CD1 4.36Å; I571-L623 HydrophobicContact CG2-CD1 4.14Å; I571-L623 HydrophobicContact CG2-CD2 4.18Å |
| 572 | D | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.1 | -53 | 177.3 | -175.8 | 77.4 | 0 | 0 | 0 | 111.5 | L503 R520 L568 Q569 T574 L575 N576 L623 Q626 | L503-D572 HydrophobicContact CD1-CB 3.98Å; R520-D572 IonicContact CZ-OD2 3.88Å; R520-D572 IonicContact NH1-OD2 2.73Å; R520-D572 IonicContact NH2-OD1 3.78Å; R520-D572 IonicContact NH2-OD2 3.63Å; R520-D572 PolarHBondContact NH2-OD2 2.77Å; L568-D572 PolarHBondContact O-N 2.87Å; Q569-D572 WeakPolarHBondContact O-CB 3.44Å; Q569-D572 PolarHBondContact O-N 3.28Å; D572-T574 VanDerWaalsContact C-N 3.35Å; D572-T574 PolarHBondContact O-N 3.46Å; D572-L575 PolarHBondContact O-N 2.55Å; D572-N576 VanDerWaalsContact O-CB 3.25Å; D572-N576 WeakPolarHBondContact O-CB 3.47Å; D572-N576 PolarHBondContact O-N 3.43Å; D572-L623 VanDerWaalsContact CA-CD2 3.46Å; D572-L623 HydrophobicContact CB-CD2 3.69Å; D572-Q626 PolarHBondContact O-OE1 3.28Å; D572-Q626 PolarHBondContact OD1-NE2 2.96Å |
| 573 | V | 91.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | 179.2 | 175 | 0 | 0 | 0 | 0 | 111 | I497 M500 K501 Q569 I571 L575 N576 L577 | I497-V573 HydrophobicContact CG2-CG1 3.86Å; M500-V573 HydrophobicContact CB-CG1 4.29Å; M500-V573 HydrophobicContact CB-CG2 3.87Å; M500-V573 WeakPolarHBondContact O-CG2 3.28Å; K501-V573 VanDerWaalsContact CA-CG2 3.49Å; K501-V573 HydrophobicContact CB-CG2 4.2Å; K501-V573 HydrophobicContact CG-CG2 3.81Å; Q569-V573 WeakPolarHBondContact O-CG2 3.24Å; Q569-V573 PolarHBondContact O-N 3.19Å; I571-V573 PolarHBondContact O-N 3.26Å; V573-L575 PolarHBondContact O-N 3.04Å; V573-N576 PolarHBondContact O-N 2.98Å; V573-L577 HydrophobicContact CG1-CD1 3.59Å; V573-L577 HydrophobicContact CG1-CG 3.99Å; V573-L577 WeakPolarHBondContact O-CB 3.21Å; V573-L577 WeakPolarHBondContact O-CG 3.5Å; V573-L577 PolarHBondContact O-N 3.09Å |
| 574 | T | 93.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.2 | -49.7 | 177.9 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | L545 V546 S549 Q570 I571 D572 F578 | L545-T574 HydrophobicContact CB-CG2 4.02Å; V546-T574 HydrophobicContact CB-CG2 4.13Å; V546-T574 HydrophobicContact CG2-CG2 3.44Å; V546-T574 VanDerWaalsContact CG2-CG2 3.44Å; S549-T574 PolarHBondContact OG-OG1 3.03Å; Q570-T574 WeakPolarHBondContact O-CB 3.47Å; Q570-T574 PolarHBondContact O-N 3.41Å; Q570-T574 VanDerWaalsContact O-N 3.16Å; Q570-T574 PolarHBondContact O-OG1 2.84Å; I571-T574 WeakPolarHBondContact O-CB 3.4Å; I571-T574 PolarHBondContact O-N 2.98Å; D572-T574 VanDerWaalsContact C-N 3.35Å; D572-T574 PolarHBondContact O-N 3.46Å; T574-F578 PolarHBondContact O-N 2.9Å |
| 575 | L | 93.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 179.9 | -66.8 | -177.2 | 0 | 0 | 0 | 111.1 | I571 D572 V573 F578 Y579 L610 L618 Q626 I630 | I571-L575 HydrophobicContact CG2-CD1 3.96Å; I571-L575 HydrophobicContact CG2-CG 4.2Å; I571-L575 WeakPolarHBondContact O-CG 3.39Å; I571-L575 PolarHBondContact O-N 3.22Å; D572-L575 PolarHBondContact O-N 2.55Å; V573-L575 PolarHBondContact O-N 3.04Å; L575-F578 PolarHBondContact O-N 3.44Å; L575-Y579 WeakPolarHBondContact O-CB 2.8Å; L575-Y579 PolarHBondContact O-N 3.21Å; L575-L610 HydrophobicContact CD2-CD2 3.89Å; L575-L618 HydrophobicContact CD1-CD1 4.03Å; L575-Q626 HydrophobicContact CB-CB 4.45Å; L575-Q626 HydrophobicContact CD1-CB 4.31Å; L575-I630 HydrophobicContact CB-CD1 3.7Å; L575-I630 HydrophobicContact CD2-CD1 3.73Å; L575-I630 HydrophobicContact CG-CD1 4.21Å; L575-I630 WeakPolarHBondContact O-CD1 3.5Å |
| 576 | N | 91.9 | Very high | 89.8 | Confident | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 178.9 | -163.8 | -82.1 | 0 | 0 | 0 | 112.1 | M500 R520 R524 D572 V573 F578 Y579 L580 | M500-N576 VanDerWaalsContact CE-OD1 3.24Å; M500-N576 WeakPolarHBondContact CE-OD1 3.37Å; R520-N576 PolarHBondContact NH2-ND2 2.96Å; R520-N576 VanDerWaalsContact NH2-ND2 3.12Å; R524-N576 PolarHBondContact NE-OD1 3.24Å; R524-N576 PolarHBondContact NH2-ND2 2.86Å; D572-N576 VanDerWaalsContact O-CB 3.25Å; D572-N576 WeakPolarHBondContact O-CB 3.47Å; D572-N576 PolarHBondContact O-N 3.43Å; V573-N576 PolarHBondContact O-N 2.98Å; N576-F578 PolarHBondContact O-N 3.06Å; N576-Y579 WeakPolarHBondContact O-CB 3.34Å; N576-Y579 PolarHBondContact O-N 3.47Å; N576-L580 VanDerWaalsContact O-CB 3.27Å; N576-L580 WeakPolarHBondContact O-CB 3.45Å; N576-L580 PolarHBondContact O-N 3.14Å |
| 577 | L | 93.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 178.2 | -68.8 | 172.1 | 0 | 0 | 0 | 112 | I497 M500 I527 I542 L545 V573 L580 F581 | I497-L577 HydrophobicContact CD1-CD1 4.19Å; I497-L577 HydrophobicContact CG1-CD1 3.83Å; I497-L577 HydrophobicContact CG2-CD1 4.47Å; M500-L577 HydrophobicContact SD-CD2 4.12Å; I527-L577 HydrophobicContact CD1-CD2 3.49Å; I527-L577 VanDerWaalsContact CD1-CD2 3.49Å; I527-L577 HydrophobicContact CG2-CD2 4.14Å; I542-L577 HydrophobicContact CD1-CB 4.21Å; I542-L577 HydrophobicContact CG1-CB 4.01Å; L545-L577 HydrophobicContact CD1-CD1 3.76Å; V573-L577 HydrophobicContact CG1-CD1 3.59Å; V573-L577 HydrophobicContact CG1-CG 3.99Å; V573-L577 WeakPolarHBondContact O-CB 3.21Å; V573-L577 WeakPolarHBondContact O-CG 3.5Å; V573-L577 PolarHBondContact O-N 3.09Å; L577-L580 PolarHBondContact O-N 2.89Å; L577-F581 WeakPolarHBondContact O-CB 3.49Å; L577-F581 PolarHBondContact O-N 3.35Å |
| 578 | F | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.1 | -38.6 | 176.7 | -175.5 | -119 | 0 | 0 | 0 | 111.9 | I542 T574 L575 N576 F581 M603 I606 M607 L610 I630 Y634 | I542-F578 HydrophobicContact CG2-CB 3.82Å; I542-F578 HydrophobicContact CG2-CD2 3.94Å; I542-F578 HydrophobicContact CG2-CG 4.3Å; T574-F578 PolarHBondContact O-N 2.9Å; L575-F578 PolarHBondContact O-N 3.44Å; N576-F578 PolarHBondContact O-N 3.06Å; F578-F581 PolarHBondContact O-N 3.2Å; F578-M603 HydrophobicContact CE2-CE 4.34Å; F578-M603 HydrophobicContact CE2-SD 3.81Å; F578-M603 HydrophobicContact CZ-SD 4.46Å; F578-I606 HydrophobicContact CD1-CG2 4.17Å; F578-I606 HydrophobicContact CD2-CD1 4.25Å; F578-I606 HydrophobicContact CD2-CG2 3.81Å; F578-I606 HydrophobicContact CE1-CG2 3.9Å; F578-I606 HydrophobicContact CE2-CB 4.15Å; F578-I606 HydrophobicContact CE2-CD1 4.03Å; F578-I606 HydrophobicContact CE2-CG2 3.52Å; F578-I606 HydrophobicContact CG-CG2 4.13Å; F578-I606 HydrophobicContact CZ-CB 4.31Å; F578-I606 HydrophobicContact CZ-CG2 3.57Å; F578-M607 HydrophobicContact CE1-SD 3.76Å; F578-M607 HydrophobicContact CZ-CG 4.29Å; F578-M607 HydrophobicContact CZ-SD 4.04Å; F578-L610 HydrophobicContact CD1-CD1 3.59Å; F578-L610 HydrophobicContact CE1-CD1 3.57Å; F578-I630 HydrophobicContact CD1-CG2 3.72Å; F578-I630 HydrophobicContact CE1-CG2 3.77Å; F578-Y634 HydrophobicContact CD1-CD2 4.24Å; F578-Y634 AromaticContact CD1-CE2 3.66Å; F578-Y634 HydrophobicContact CD1-CE2 3.66Å; F578-Y634 AromaticContact CE1-CD2 3.51Å; F578-Y634 HydrophobicContact CE1-CD2 3.51Å; F578-Y634 AromaticContact CE1-CE2 3.24Å; F578-Y634 HydrophobicContact CE1-CE2 3.24Å; F578-Y634 HydrophobicContact CE1-CG 4.37Å; F578-Y634 AromaticContact CE1-CZ 3.95Å; F578-Y634 HydrophobicContact CE2-CE2 4.28Å; F578-Y634 HydrophobicContact CG-CE2 4.33Å; F578-Y634 AromaticContact CZ-CD2 3.96Å; F578-Y634 HydrophobicContact CZ-CD2 3.96Å; F578-Y634 HydrophobicContact CZ-CE1 4.39Å; F578-Y634 AromaticContact CZ-CE2 3.6Å; F578-Y634 HydrophobicContact CZ-CE2 3.6Å; F578-Y634 HydrophobicContact CZ-CG 4.47Å; F578-Y634 AromaticContact CZ-CZ 3.81Å; F578-Y634 PolarHBondContact O-OH 3.04Å |
| 579 | Y | 93.7 | Very high | 89 | Confident | 72 Ų | 72 | 35.9 Ų | 35.9 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -45 | 172.7 | -178.4 | -90.2 | 0 | 0 | 0 | 111.8 | L575 N576 G582 E629 I630 R633 | L575-Y579 WeakPolarHBondContact O-CB 2.8Å; L575-Y579 PolarHBondContact O-N 3.21Å; N576-Y579 WeakPolarHBondContact O-CB 3.34Å; N576-Y579 PolarHBondContact O-N 3.47Å; Y579-G582 PolarHBondContact O-N 2.87Å; Y579-E629 HydrophobicContact CD2-CB 4.32Å; Y579-E629 HydrophobicContact CE2-CB 3.93Å; Y579-I630 HydrophobicContact CD2-CG1 4.09Å; Y579-R633 VanDerWaalsContact CD2-NE 3.28Å; Y579-R633 HydrophobicContact CE2-CB 4.4Å; Y579-R633 VanDerWaalsContact CZ-NE 3.32Å; Y579-R633 PolarHBondContact OH-NH2 2.95Å |
| 580 | L | 92.1 | Very high | 88.7 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 178.4 | -179.9 | 64.6 | 0 | 0 | 0 | 112.1 | R524 I527 N576 L577 G582 E583 I584 | R524-L580 HydrophobicContact CB-CD1 4.29Å; R524-L580 HydrophobicContact CB-CD2 4.15Å; R524-L580 HydrophobicContact CG-CD1 4.44Å; R524-L580 HydrophobicContact CG-CD2 4.1Å; I527-L580 HydrophobicContact CB-CD2 4.12Å; I527-L580 HydrophobicContact CG2-CD2 3.83Å; N576-L580 VanDerWaalsContact O-CB 3.27Å; N576-L580 WeakPolarHBondContact O-CB 3.45Å; N576-L580 PolarHBondContact O-N 3.14Å; L577-L580 PolarHBondContact O-N 2.89Å; L580-G582 VanDerWaalsContact C-N 3.28Å; L580-G582 PolarHBondContact O-N 3.48Å; L580-E583 WeakPolarHBondContact O-CA 3.08Å; L580-E583 VanDerWaalsContact O-CB 3.29Å; L580-E583 WeakPolarHBondContact O-CB 3.45Å; L580-E583 PolarHBondContact O-N 3.37Å; L580-I584 HydrophobicContact CD1-CD1 3.96Å; L580-I584 HydrophobicContact CD1-CG1 4.25Å; L580-I584 HydrophobicContact CD2-CD1 4.2Å; L580-I584 HydrophobicContact CG-CD1 3.6Å; L580-I584 HydrophobicContact CG-CG1 4.37Å; L580-I584 WeakPolarHBondContact O-CD1 3.47Å; L580-I584 WeakPolarHBondContact O-CG1 3.43Å; L580-I584 PolarHBondContact O-N 3.15Å; L580-I584 VanDerWaalsContact O-N 3.1Å |
| 581 | F | 93.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.4 | -44 | 177.8 | -176.5 | -92 | 0 | 0 | 0 | 112.1 | T531 V538 L539 I542 L577 F578 E583 I584 C585 Y599 M603 | T531-F581 HydrophobicContact CG2-CD2 3.91Å; T531-F581 HydrophobicContact CG2-CE2 4.03Å; V538-F581 HydrophobicContact CG1-CD2 4.35Å; L539-F581 HydrophobicContact CB-CE2 3.81Å; L539-F581 HydrophobicContact CB-CZ 3.91Å; L539-F581 HydrophobicContact CD1-CD1 4.08Å; L539-F581 HydrophobicContact CD1-CD2 4.41Å; L539-F581 HydrophobicContact CD1-CE1 3.84Å; L539-F581 HydrophobicContact CD1-CE2 4.18Å; L539-F581 HydrophobicContact CD1-CG 4.36Å; L539-F581 HydrophobicContact CD1-CZ 3.89Å; L539-F581 HydrophobicContact CD2-CE1 4.28Å; L539-F581 HydrophobicContact CD2-CZ 3.96Å; L539-F581 HydrophobicContact CG-CE1 4.49Å; L539-F581 HydrophobicContact CG-CE2 4.43Å; L539-F581 HydrophobicContact CG-CZ 4.13Å; I542-F581 HydrophobicContact CD1-CB 3.88Å; I542-F581 HydrophobicContact CD1-CD2 4.11Å; I542-F581 HydrophobicContact CD1-CG 4.24Å; L577-F581 WeakPolarHBondContact O-CB 3.49Å; L577-F581 PolarHBondContact O-N 3.35Å; F578-F581 PolarHBondContact O-N 3.2Å; F581-E583 PolarHBondContact O-N 2.76Å; F581-I584 PolarHBondContact O-N 2.85Å; F581-C585 HydrophobicContact CD1-CB 4.45Å; F581-C585 HydrophobicContact CE1-CB 4.11Å; F581-C585 HydrophobicContact CZ-CB 4.23Å; F581-C585 VanDerWaalsContact O-CB 3.32Å; F581-C585 WeakPolarHBondContact O-CB 3.43Å; F581-C585 PolarHBondContact O-N 2.93Å; F581-Y599 HydrophobicContact CZ-CD2 4.44Å; F581-M603 HydrophobicContact CD1-CE 3.62Å; F581-M603 HydrophobicContact CD1-SD 4.02Å; F581-M603 HydrophobicContact CE1-CE 3.57Å; F581-M603 HydrophobicContact CE1-SD 3.78Å |
| 582 | G | 88.6 | Confident | 88.5 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.6 | -17.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y579 L580 Y634 | Y579-G582 PolarHBondContact O-N 2.87Å; L580-G582 VanDerWaalsContact C-N 3.28Å; L580-G582 PolarHBondContact O-N 3.48Å; G582-Y634 WeakPolarHBondContact CA-OH 3.34Å; G582-Y634 PolarHBondContact N-OH 3.37Å |
| 583 | E | 88.3 | Confident | 88.5 | Confident | 102 Ų | 102 | 40 Ų | 40 | 48% | 0.477 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -80.6 | -41.9 | 174 | -164.3 | 158.3 | 146.2 | 0 | 0 | 112.4 | L580 F581 R633 | L580-E583 WeakPolarHBondContact O-CA 3.08Å; L580-E583 VanDerWaalsContact O-CB 3.29Å; L580-E583 WeakPolarHBondContact O-CB 3.45Å; L580-E583 PolarHBondContact O-N 3.37Å; F581-E583 PolarHBondContact O-N 2.76Å; E583-R633 VanDerWaalsContact CA-NH1 3.33Å; E583-R633 VanDerWaalsContact CB-NH1 3.35Å; E583-R633 IonicContact OE2-CZ 2.68Å; E583-R633 IonicContact OE2-NH1 3.88Å; E583-R633 IonicContact OE2-NH2 3.12Å; E583-R633 PolarHBondContact OE2-NH2 2.91Å |
| 584 | I | 87.5 | Confident | 88.3 | Confident | 35 Ų | 35 | 42.2 Ų | 42.2 | 18% | 0.179 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.4 | -51.4 | -179.3 | -58.9 | 152.3 | 0 | 0 | 0 | 110.2 | G528 T531 Q532 L580 F581 K586 | G528-I584 VanDerWaalsContact CA-CD1 3.47Å; T531-I584 HydrophobicContact CG2-CB 4.33Å; T531-I584 HydrophobicContact CG2-CD1 4.24Å; T531-I584 HydrophobicContact CG2-CG2 3.97Å; Q532-I584 HydrophobicContact CG-CG2 3.82Å; L580-I584 HydrophobicContact CD1-CD1 3.96Å; L580-I584 HydrophobicContact CD1-CG1 4.25Å; L580-I584 HydrophobicContact CD2-CD1 4.2Å; L580-I584 HydrophobicContact CG-CD1 3.6Å; L580-I584 HydrophobicContact CG-CG1 4.37Å; L580-I584 WeakPolarHBondContact O-CD1 3.47Å; L580-I584 WeakPolarHBondContact O-CG1 3.43Å; L580-I584 PolarHBondContact O-N 3.15Å; L580-I584 VanDerWaalsContact O-N 3.1Å; F581-I584 PolarHBondContact O-N 2.85Å; I584-K586 PolarHBondContact O-N 2.71Å; I584-K586 VanDerWaalsContact O-N 3.14Å |
| 585 | C | 86.8 | Confident | 87.8 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -85.7 | 83 | -177.6 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | T531 F581 A587 H592 | T531-C585 VanDerWaalsContact CG2-SG 3.6Å; F581-C585 HydrophobicContact CD1-CB 4.45Å; F581-C585 HydrophobicContact CE1-CB 4.11Å; F581-C585 HydrophobicContact CZ-CB 4.23Å; F581-C585 VanDerWaalsContact O-CB 3.32Å; F581-C585 WeakPolarHBondContact O-CB 3.43Å; F581-C585 PolarHBondContact O-N 2.93Å; C585-A587 PolarHBondContact O-N 3.27Å; C585-H592 PolarHBondContact O-CD2 3.2Å; C585-H592 PolarHBondContact O-NE2 2.93Å |
| 586 | K | 84.1 | Confident | 87.4 | Confident | 138 Ų | 138 | 55 Ų | 55 | 60% | 0.6 | 29% | 0.286 | S | S | * | . | trans | -72.7 | 114.4 | 179 | -65 | -175.3 | -179.3 | 179.8 | 0 | 111.3 | I584 | I584-K586 PolarHBondContact O-N 2.71Å; I584-K586 VanDerWaalsContact O-N 3.14Å | ||
| 587 | A | 81.4 | Confident | 87.2 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | trans | -83.1 | 158.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C585 K589 N590 D591 F597 | C585-A587 PolarHBondContact O-N 3.27Å; A587-K589 PolarHBondContact O-N 3.4Å; A587-N590 PolarHBondContact O-N 3.37Å; A587-D591 VanDerWaalsContact CB-C 3.47Å; A587-D591 WeakPolarHBondContact CB-O 3.37Å; A587-F597 HydrophobicContact CB-CD2 4.03Å; A587-F597 HydrophobicContact CB-CE2 4.25Å | ||
| 588 | S | 79.3 | Confident | 86.7 | Confident | 98 Ų | 98 | 60 Ų | 60 | 69% | 0.685 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -57.2 | 122.7 | 172.9 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | N590 D591 | S588-N590 PolarHBondContact O-N 3.44Å; S588-N590 VanDerWaalsContact O-N 3.17Å; S588-D591 PolarHBondContact O-N 2.98Å; S588-D591 VanDerWaalsContact O-N 3.1Å |
| 589 | K | 78.4 | Confident | 86.5 | Confident | 170 Ų | 170 | 62.2 Ų | 62.2 | 74% | 0.739 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | 56.6 | 24.1 | -174 | -55.1 | 173.9 | -178.9 | 168.7 | 0 | 114.4 | A587 D591 | A587-K589 PolarHBondContact O-N 3.4Å; K589-D591 PolarHBondContact O-N 2.93Å |
| 590 | N | 79.5 | Confident | 86.3 | Confident | 100 Ų | 100 | 60.5 Ų | 60.5 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 57.4 | 33.6 | -173.3 | -59 | -22.1 | 0 | 0 | 0 | 113.3 | A587 S588 | A587-N590 PolarHBondContact O-N 3.37Å; S588-N590 PolarHBondContact O-N 3.44Å; S588-N590 VanDerWaalsContact O-N 3.17Å |
| 591 | D | 86.5 | Confident | 86.3 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | trans | -103.6 | 84.3 | 177.9 | -169.1 | 1.4 | 0 | 0 | 0 | 111.6 | A587 S588 K589 F593 C594 R636 | A587-D591 VanDerWaalsContact CB-C 3.47Å; A587-D591 WeakPolarHBondContact CB-O 3.37Å; S588-D591 PolarHBondContact O-N 2.98Å; S588-D591 VanDerWaalsContact O-N 3.1Å; K589-D591 PolarHBondContact O-N 2.93Å; D591-F593 PolarHBondContact O-N 3.46Å; D591-F593 PolarHBondContact OD1-N 3Å; D591-F593 VanDerWaalsContact OD1-N 3.15Å; D591-C594 HydrophobicContact CB-CB 4.5Å; D591-C594 PolarHBondContact O-N 2.89Å; D591-C594 PolarHBondContact OD1-N 3.35Å; D591-R636 HydrophobicContact CB-CG 4.3Å | ||
| 592 | H | 89.2 | Confident | 86.2 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 2% | 0.023 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -6.8 | 174.9 | -54.7 | 86.5 | 0 | 0 | 0 | 113.6 | C585 F597 M603 Y634 | C585-H592 PolarHBondContact O-CD2 3.2Å; C585-H592 PolarHBondContact O-NE2 2.93Å; H592-F597 HydrophobicContact CB-CD1 4.29Å; H592-F597 HydrophobicContact CB-CE1 4.29Å; H592-F597 AromaticContact CD2-CZ 3.84Å; H592-F597 WeakPolarHBondContact O-CD1 3.3Å; H592-M603 HydrophobicContact CB-CE 3.6Å; H592-M603 HydrophobicContact CB-CG 4.41Å; H592-Y634 AromaticContact ND1-CE1 3.82Å |
| 593 | F | 91.4 | Very high | 86.5 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 3.6 | -176.8 | -50.5 | -79.3 | 0 | 0 | 0 | 111.9 | D591 H600 M603 V604 M607 Y634 R636 Y637 | D591-F593 PolarHBondContact O-N 3.46Å; D591-F593 PolarHBondContact OD1-N 3Å; D591-F593 VanDerWaalsContact OD1-N 3.15Å; F593-H600 VanDerWaalsContact C-ND1 3.3Å; F593-H600 PolarHBondContact O-CE1 2.86Å; F593-H600 PolarHBondContact O-ND1 3.41Å; F593-M603 HydrophobicContact CD1-CB 4.15Å; F593-M603 HydrophobicContact CE1-CB 3.83Å; F593-V604 HydrophobicContact CD1-CG2 3.96Å; F593-M607 HydrophobicContact CE1-CB 4.23Å; F593-M607 HydrophobicContact CE1-CG 3.48Å; F593-M607 VanDerWaalsContact CE1-CG 3.48Å; F593-M607 HydrophobicContact CZ-CG 3.48Å; F593-M607 VanDerWaalsContact CZ-CG 3.48Å; F593-M607 HydrophobicContact CZ-SD 4.38Å; F593-Y634 AromaticContact CE2-CD1 3.88Å; F593-Y634 HydrophobicContact CE2-CD1 3.88Å; F593-Y634 HydrophobicContact CE2-CG 4.28Å; F593-Y634 AromaticContact CZ-CD1 3.84Å; F593-Y634 HydrophobicContact CZ-CD1 3.84Å; F593-Y634 HydrophobicContact CZ-CG 4.11Å; F593-R636 HydrophobicContact CD2-CB 4.01Å; F593-Y637 AromaticContact CD1-CD2 3.82Å; F593-Y637 HydrophobicContact CD1-CD2 3.82Å; F593-Y637 HydrophobicContact CD1-CG 4.48Å; F593-Y637 VanDerWaalsContact CD2-N 3.33Å; F593-Y637 AromaticContact CE1-CD2 3.82Å; F593-Y637 HydrophobicContact CE1-CD2 3.82Å; F593-Y637 HydrophobicContact CE1-CG 4.28Å; F593-Y637 HydrophobicContact CG-CD2 4.39Å; F593-Y637 HydrophobicContact CZ-CD2 4.42Å; F593-Y637 HydrophobicContact CZ-CG 4.44Å |
| 594 | C | 86.8 | Confident | 86.7 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -67.7 | 142.9 | 167.3 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | D591 S596 F597 | D591-C594 HydrophobicContact CB-CB 4.5Å; D591-C594 PolarHBondContact O-N 2.89Å; D591-C594 PolarHBondContact OD1-N 3.35Å; C594-S596 PolarHBondContact O-N 3.36Å; C594-S596 VanDerWaalsContact O-N 3.09Å; C594-S596 PolarHBondContact SG-OG 3.23Å; C594-F597 WeakPolarHBondContact O-CB 3.44Å; C594-F597 PolarHBondContact O-N 2.99Å |
| 595 | Q | 83.8 | Confident | 87 | Confident | 177 Ų | 177 | 64.3 Ų | 64.3 | 83% | 0.827 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.3 | 175.2 | -67.8 | 178.3 | -6.9 | 0 | 0 | 113.4 | F597 | Q595-F597 VanDerWaalsContact C-N 3.27Å; Q595-F597 PolarHBondContact O-N 3.13Å |
| 596 | S | 84.9 | Confident | 87.4 | Confident | 98 Ų | 98 | 64 Ų | 64 | 69% | 0.685 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.4 | 174.4 | 64 | 0 | 0 | 0 | 0 | 113.9 | C594 | C594-S596 PolarHBondContact O-N 3.36Å; C594-S596 VanDerWaalsContact O-N 3.09Å; C594-S596 PolarHBondContact SG-OG 3.23Å |
| 597 | F | 86.6 | Confident | 87.9 | Confident | 23 Ų | 23 | 57.4 Ų | 57.4 | 10% | 0.101 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -79.6 | 127 | 177.7 | -173.4 | -108.4 | 0 | 0 | 0 | 110 | A587 H592 C594 Q595 Y599 H600 M603 | A587-F597 HydrophobicContact CB-CD2 4.03Å; A587-F597 HydrophobicContact CB-CE2 4.25Å; H592-F597 HydrophobicContact CB-CD1 4.29Å; H592-F597 HydrophobicContact CB-CE1 4.29Å; H592-F597 AromaticContact CD2-CZ 3.84Å; H592-F597 WeakPolarHBondContact O-CD1 3.3Å; C594-F597 WeakPolarHBondContact O-CB 3.44Å; C594-F597 PolarHBondContact O-N 2.99Å; Q595-F597 VanDerWaalsContact C-N 3.27Å; Q595-F597 PolarHBondContact O-N 3.13Å; F597-Y599 HydrophobicContact CE1-CD2 4.02Å; F597-Y599 HydrophobicContact CE1-CG 4.42Å; F597-Y599 HydrophobicContact CZ-CD2 4.08Å; F597-Y599 PolarHBondContact O-N 3.13Å; F597-H600 WeakPolarHBondContact O-CB 3.39Å; F597-H600 PolarHBondContact O-N 3.31Å; F597-H600 VanDerWaalsContact O-N 3.12Å; F597-M603 HydrophobicContact CD1-CG 4.41Å; F597-M603 HydrophobicContact CE1-CG 3.98Å |
| 598 | P | 84.5 | Confident | 88.5 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.8 | -171.8 | -29.1 | 35.1 | 0 | 0 | 0 | 115.7 | ||
| 599 | Y | 89 | Confident | 89.1 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 26 | -175.4 | -43.5 | -59.4 | 0 | 0 | 0 | 113.5 | Q535 R536 L539 F581 F597 E601 T602 M603 | Q535-Y599 HydrophobicContact CB-CE2 3.53Å; Q535-Y599 HydrophobicContact CG-CE2 4.49Å; R536-Y599 HydrophobicContact CB-CE1 3.86Å; R536-Y599 HydrophobicContact CG-CE1 4.31Å; L539-Y599 HydrophobicContact CD2-CD2 4.26Å; L539-Y599 HydrophobicContact CD2-CG 3.89Å; F581-Y599 HydrophobicContact CZ-CD2 4.44Å; F597-Y599 HydrophobicContact CE1-CD2 4.02Å; F597-Y599 HydrophobicContact CE1-CG 4.42Å; F597-Y599 HydrophobicContact CZ-CD2 4.08Å; F597-Y599 PolarHBondContact O-N 3.13Å; Y599-E601 VanDerWaalsContact C-N 3.33Å; Y599-E601 PolarHBondContact O-N 3.35Å; Y599-T602 PolarHBondContact O-N 2.97Å; Y599-M603 WeakPolarHBondContact O-CG 3.45Å; Y599-M603 PolarHBondContact O-N 3.37Å |
| 600 | H | 90.2 | Very high | 89.8 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 17% | 0.167 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -44 | -54 | -179.9 | 167.6 | 74.4 | 0 | 0 | 0 | 113 | F593 F597 T602 M603 V604 | F593-H600 VanDerWaalsContact C-ND1 3.3Å; F593-H600 PolarHBondContact O-CE1 2.86Å; F593-H600 PolarHBondContact O-ND1 3.41Å; F597-H600 WeakPolarHBondContact O-CB 3.39Å; F597-H600 PolarHBondContact O-N 3.31Å; F597-H600 VanDerWaalsContact O-N 3.12Å; H600-T602 VanDerWaalsContact C-N 3.34Å; H600-T602 PolarHBondContact O-N 3.03Å; H600-M603 PolarHBondContact O-N 3.41Å; H600-V604 WeakPolarHBondContact O-CG2 3.25Å; H600-V604 PolarHBondContact O-N 3.45Å |
| 601 | E | 91.9 | Very high | 90.4 | Very high | 159 Ų | 159 | 44 Ų | 44 | 74% | 0.743 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.7 | -42.4 | -175 | -63.2 | -176.2 | 168.8 | 0 | 0 | 112.6 | Y599 V604 S605 | Y599-E601 VanDerWaalsContact C-N 3.33Å; Y599-E601 PolarHBondContact O-N 3.35Å; E601-V604 PolarHBondContact O-N 3.38Å; E601-S605 WeakPolarHBondContact O-CB 3.46Å; E601-S605 PolarHBondContact O-N 3.32Å |
| 602 | T | 92.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.4 | -40.7 | 179.5 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | R536 L539 H543 Y599 H600 S605 I606 | R536-T602 PolarHBondContact NH1-OG1 3.18Å; L539-T602 HydrophobicContact CD1-CG2 4.48Å; L539-T602 HydrophobicContact CD2-CG2 3.8Å; L539-T602 HydrophobicContact CG-CG2 3.72Å; H543-T602 HydrophobicContact CB-CG2 4.23Å; Y599-T602 PolarHBondContact O-N 2.97Å; H600-T602 VanDerWaalsContact C-N 3.34Å; H600-T602 PolarHBondContact O-N 3.03Å; T602-S605 PolarHBondContact O-N 3.42Å; T602-I606 HydrophobicContact CG2-CD1 4.21Å; T602-I606 WeakPolarHBondContact O-CG1 3.48Å; T602-I606 PolarHBondContact O-N 3.32Å |
| 603 | M | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 174.8 | -67.4 | -65.1 | -105.8 | 0 | 0 | 111.9 | L539 F578 F581 H592 F593 F597 Y599 H600 I606 M607 Y634 | L539-M603 HydrophobicContact CD1-SD 3.71Å; L539-M603 HydrophobicContact CD2-CG 4.38Å; L539-M603 HydrophobicContact CD2-SD 4.27Å; F578-M603 HydrophobicContact CE2-CE 4.34Å; F578-M603 HydrophobicContact CE2-SD 3.81Å; F578-M603 HydrophobicContact CZ-SD 4.46Å; F581-M603 HydrophobicContact CD1-CE 3.62Å; F581-M603 HydrophobicContact CD1-SD 4.02Å; F581-M603 HydrophobicContact CE1-CE 3.57Å; F581-M603 HydrophobicContact CE1-SD 3.78Å; H592-M603 HydrophobicContact CB-CE 3.6Å; H592-M603 HydrophobicContact CB-CG 4.41Å; F593-M603 HydrophobicContact CD1-CB 4.15Å; F593-M603 HydrophobicContact CE1-CB 3.83Å; F597-M603 HydrophobicContact CD1-CG 4.41Å; F597-M603 HydrophobicContact CE1-CG 3.98Å; Y599-M603 WeakPolarHBondContact O-CG 3.45Å; Y599-M603 PolarHBondContact O-N 3.37Å; H600-M603 PolarHBondContact O-N 3.41Å; M603-I606 PolarHBondContact O-N 3.34Å; M603-M607 PolarHBondContact O-N 3.32Å; M603-Y634 HydrophobicContact CE-CE1 3.81Å |
| 604 | V | 93.8 | Very high | 89.5 | Confident | 33 Ų | 33 | 50 Ų | 50 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | F593 H600 E601 M607 S608 Y637 L640 | F593-V604 HydrophobicContact CD1-CG2 3.96Å; H600-V604 WeakPolarHBondContact O-CG2 3.25Å; H600-V604 PolarHBondContact O-N 3.45Å; E601-V604 PolarHBondContact O-N 3.38Å; V604-M607 PolarHBondContact O-N 3.32Å; V604-S608 WeakPolarHBondContact O-CB 3.3Å; V604-S608 PolarHBondContact O-N 2.92Å; V604-Y637 HydrophobicContact CG1-CE2 4.3Å; V604-L640 HydrophobicContact CG2-CD2 3.7Å |
| 605 | S | 94.1 | Very high | 89.4 | Confident | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 112 | H543 E601 T602 S608 I609 | H543-S605 PolarHBondContact CE1-OG 3.14Å; H543-S605 PolarHBondContact NE2-OG 3.46Å; E601-S605 WeakPolarHBondContact O-CB 3.46Å; E601-S605 PolarHBondContact O-N 3.32Å; T602-S605 PolarHBondContact O-N 3.42Å; S605-S608 PolarHBondContact O-N 2.97Å; S605-I609 WeakPolarHBondContact O-CG1 3.43Å; S605-I609 PolarHBondContact O-N 3.35Å |
| 606 | I | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -49.5 | 177.1 | -69.5 | 165.9 | 0 | 0 | 0 | 110.6 | L539 I542 H543 V546 F578 T602 M603 S608 I609 L610 | L539-I606 HydrophobicContact CD1-CD1 3.65Å; L539-I606 HydrophobicContact CG-CD1 4.41Å; I542-I606 HydrophobicContact CG2-CD1 4.31Å; H543-I606 HydrophobicContact CB-CD1 4.01Å; H543-I606 HydrophobicContact CB-CG1 4.01Å; V546-I606 HydrophobicContact CG1-CG2 4.31Å; V546-I606 HydrophobicContact CG2-CG2 4.03Å; F578-I606 HydrophobicContact CD1-CG2 4.17Å; F578-I606 HydrophobicContact CD2-CD1 4.25Å; F578-I606 HydrophobicContact CD2-CG2 3.81Å; F578-I606 HydrophobicContact CE1-CG2 3.9Å; F578-I606 HydrophobicContact CE2-CB 4.15Å; F578-I606 HydrophobicContact CE2-CD1 4.03Å; F578-I606 HydrophobicContact CE2-CG2 3.52Å; F578-I606 HydrophobicContact CG-CG2 4.13Å; F578-I606 HydrophobicContact CZ-CB 4.31Å; F578-I606 HydrophobicContact CZ-CG2 3.57Å; T602-I606 HydrophobicContact CG2-CD1 4.21Å; T602-I606 WeakPolarHBondContact O-CG1 3.48Å; T602-I606 PolarHBondContact O-N 3.32Å; M603-I606 PolarHBondContact O-N 3.34Å; I606-S608 VanDerWaalsContact C-N 3.31Å; I606-S608 PolarHBondContact O-N 2.98Å; I606-I609 PolarHBondContact O-N 2.93Å; I606-I609 VanDerWaalsContact O-N 3.17Å; I606-L610 HydrophobicContact CG2-CD1 3.84Å; I606-L610 HydrophobicContact CG2-CG 4.29Å; I606-L610 WeakPolarHBondContact O-CG 3.08Å; I606-L610 PolarHBondContact O-N 3.02Å |
| 607 | M | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -37.4 | 179.5 | -78 | -58.8 | -64.3 | 0 | 0 | 112.9 | F578 F593 M603 V604 I609 L610 C611 M631 Y634 Y637 | F578-M607 HydrophobicContact CE1-SD 3.76Å; F578-M607 HydrophobicContact CZ-CG 4.29Å; F578-M607 HydrophobicContact CZ-SD 4.04Å; F593-M607 HydrophobicContact CE1-CB 4.23Å; F593-M607 HydrophobicContact CE1-CG 3.48Å; F593-M607 VanDerWaalsContact CE1-CG 3.48Å; F593-M607 HydrophobicContact CZ-CG 3.48Å; F593-M607 VanDerWaalsContact CZ-CG 3.48Å; F593-M607 HydrophobicContact CZ-SD 4.38Å; M603-M607 PolarHBondContact O-N 3.32Å; V604-M607 PolarHBondContact O-N 3.32Å; M607-I609 VanDerWaalsContact C-N 3.31Å; M607-I609 PolarHBondContact O-N 2.93Å; M607-L610 PolarHBondContact O-N 3.17Å; M607-L610 HydrophobicContact SD-CD1 4.36Å; M607-C611 WeakPolarHBondContact O-CB 3.27Å; M607-C611 PolarHBondContact O-N 3.21Å; M607-C611 PolarHBondContact O-SG 3.01Å; M607-M631 HydrophobicContact CE-CE 3.98Å; M607-M631 HydrophobicContact CE-SD 4.2Å; M607-Y634 HydrophobicContact SD-CD2 4.22Å; M607-Y634 HydrophobicContact SD-CG 4.21Å; M607-Y637 HydrophobicContact CB-CD1 4.01Å; M607-Y637 HydrophobicContact CB-CD2 3.58Å; M607-Y637 HydrophobicContact CB-CE1 4.02Å; M607-Y637 HydrophobicContact CB-CE2 3.58Å; M607-Y637 HydrophobicContact CB-CG 3.79Å; M607-Y637 HydrophobicContact CE-CD1 3.81Å; M607-Y637 HydrophobicContact CE-CG 4.03Å; M607-Y637 HydrophobicContact CG-CD1 4.49Å; M607-Y637 HydrophobicContact CG-CD2 4.04Å; M607-Y637 HydrophobicContact CG-CG 4.02Å |
| 608 | S | 93.2 | Very high | 89.6 | Confident | 58 Ų | 58 | 39.9 Ų | 39.9 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 175.4 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | V604 S605 I606 C611 | V604-S608 WeakPolarHBondContact O-CB 3.3Å; V604-S608 PolarHBondContact O-N 2.92Å; S605-S608 PolarHBondContact O-N 2.97Å; I606-S608 VanDerWaalsContact C-N 3.31Å; I606-S608 PolarHBondContact O-N 2.98Å; S608-C611 PolarHBondContact O-N 3.4Å |
| 609 | I | 93.2 | Very high | 89.5 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.138 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.2 | -45.4 | 176 | -62.4 | 163.6 | 0 | 0 | 0 | 110.7 | V546 R547 H550 S605 I606 M607 C611 S612 | V546-I609 HydrophobicContact CG1-CB 4.03Å; V546-I609 HydrophobicContact CG1-CD1 4.34Å; V546-I609 HydrophobicContact CG1-CG2 3.74Å; R547-I609 HydrophobicContact CG-CD1 3.7Å; H550-I609 HydrophobicContact CB-CG2 3.59Å; S605-I609 WeakPolarHBondContact O-CG1 3.43Å; S605-I609 PolarHBondContact O-N 3.35Å; I606-I609 PolarHBondContact O-N 2.93Å; I606-I609 VanDerWaalsContact O-N 3.17Å; M607-I609 VanDerWaalsContact C-N 3.31Å; M607-I609 PolarHBondContact O-N 2.93Å; I609-C611 VanDerWaalsContact C-N 3.26Å; I609-C611 PolarHBondContact O-N 3.13Å; I609-S612 VanDerWaalsContact O-CB 3.29Å; I609-S612 WeakPolarHBondContact O-CB 3.21Å; I609-S612 PolarHBondContact O-N 3.43Å; I609-S612 VanDerWaalsContact O-N 3.16Å; I609-S612 PolarHBondContact O-OG 2.96Å |
| 610 | L | 93.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -25.5 | -179.9 | -66.2 | 176.4 | 0 | 0 | 0 | 113.3 | V546 L575 F578 I606 M607 S612 V615 Y627 I630 M631 | V546-L610 HydrophobicContact CG1-CD2 4.06Å; V546-L610 HydrophobicContact CG1-CG 4.27Å; L575-L610 HydrophobicContact CD2-CD2 3.89Å; F578-L610 HydrophobicContact CD1-CD1 3.59Å; F578-L610 HydrophobicContact CE1-CD1 3.57Å; I606-L610 HydrophobicContact CG2-CD1 3.84Å; I606-L610 HydrophobicContact CG2-CG 4.29Å; I606-L610 WeakPolarHBondContact O-CG 3.08Å; I606-L610 PolarHBondContact O-N 3.02Å; M607-L610 PolarHBondContact O-N 3.17Å; M607-L610 HydrophobicContact SD-CD1 4.36Å; L610-S612 PolarHBondContact O-N 3.03Å; L610-V615 HydrophobicContact CD2-CG1 3.99Å; L610-Y627 WeakPolarHBondContact O-CE2 3.25Å; L610-I630 HydrophobicContact CD1-CG2 4.06Å; L610-M631 HydrophobicContact CB-CE 3.95Å |
| 611 | C | 91.7 | Very high | 89.2 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -1.7 | 176 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | M607 S608 I609 H644 | M607-C611 WeakPolarHBondContact O-CB 3.27Å; M607-C611 PolarHBondContact O-N 3.21Å; M607-C611 PolarHBondContact O-SG 3.01Å; S608-C611 PolarHBondContact O-N 3.4Å; I609-C611 VanDerWaalsContact C-N 3.26Å; I609-C611 PolarHBondContact O-N 3.13Å; C611-H644 HydrophobicContact CB-CB 4.16Å |
| 612 | S | 87.9 | Confident | 88.9 | Confident | 30 Ų | 30 | 32.1 Ų | 32.1 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -69.1 | 149.4 | 175.4 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | H550 I609 L610 S614 V615 S616 | H550-S612 PolarHBondContact CE1-OG 3.02Å; H550-S612 PolarHBondContact ND1-OG 3.46Å; I609-S612 VanDerWaalsContact O-CB 3.29Å; I609-S612 WeakPolarHBondContact O-CB 3.21Å; I609-S612 PolarHBondContact O-N 3.43Å; I609-S612 VanDerWaalsContact O-N 3.16Å; I609-S612 PolarHBondContact O-OG 2.96Å; L610-S612 PolarHBondContact O-N 3.03Å; S612-S614 PolarHBondContact O-N 2.89Å; S612-V615 PolarHBondContact O-N 2.92Å; S612-V615 VanDerWaalsContact O-N 3.16Å; S612-S616 PolarHBondContact O-N 3.33Å |
| 613 | D | 80.5 | Confident | 88.8 | Confident | 117 Ų | 117 | 31.6 Ų | 31.6 | 63% | 0.626 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -59.3 | -32.2 | -175.9 | -78.4 | -28 | 0 | 0 | 0 | 113.4 | V615 S616 | D613-V615 VanDerWaalsContact C-N 3.31Å; D613-V615 PolarHBondContact O-N 2.91Å; D613-S616 PolarHBondContact O-N 3.05Å; D613-S616 PolarHBondContact O-OG 2.92Å |
| 614 | S | 79.6 | Confident | 88.8 | Confident | 33 Ų | 33 | 31.7 Ų | 31.7 | 23% | 0.231 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.6 | -31.1 | -179.6 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | H550 N554 S612 | H550-S614 PolarHBondContact CE1-OG 3.48Å; H550-S614 VanDerWaalsContact CE1-OG 3.23Å; H550-S614 PolarHBondContact ND1-OG 3.23Å; N554-S614 WeakPolarHBondContact OD1-CB 3.24Å; N554-S614 PolarHBondContact OD1-OG 3.43Å; S612-S614 PolarHBondContact O-N 2.89Å |
| 615 | V | 85.2 | Confident | 88.7 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -80.3 | -23 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L553 L610 S612 D613 R617 L618 Y627 | L553-V615 HydrophobicContact CD1-CB 4.48Å; L553-V615 HydrophobicContact CD1-CG2 4Å; L610-V615 HydrophobicContact CD2-CG1 3.99Å; S612-V615 PolarHBondContact O-N 2.92Å; S612-V615 VanDerWaalsContact O-N 3.16Å; D613-V615 VanDerWaalsContact C-N 3.31Å; D613-V615 PolarHBondContact O-N 2.91Å; V615-R617 VanDerWaalsContact C-N 3.31Å; V615-R617 PolarHBondContact O-N 3.46Å; V615-L618 VanDerWaalsContact O-CG 3.31Å; V615-L618 WeakPolarHBondContact O-CG 3.42Å; V615-Y627 HydrophobicContact CG1-CD2 3.99Å; V615-Y627 HydrophobicContact CG1-CE2 4.13Å |
| 616 | S | 85.1 | Confident | 88.6 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -73.1 | -19.3 | -178.2 | 75.7 | 0 | 0 | 0 | 0 | 114.8 | S612 D613 Q624 R656 | S612-S616 PolarHBondContact O-N 3.33Å; D613-S616 PolarHBondContact O-N 3.05Å; D613-S616 PolarHBondContact O-OG 2.92Å; S616-Q624 PolarHBondContact O-NE2 3Å; S616-Q624 PolarHBondContact O-OE1 3.44Å; S616-R656 WeakPolarHBondContact O-CD 3.36Å; S616-R656 PolarHBondContact OG-NH1 3.15Å |
| 617 | R | 87.1 | Confident | 88.6 | Confident | 119 Ų | 119 | 32.5 Ų | 32.5 | 45% | 0.449 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -119.2 | 76.6 | -174.6 | -171.1 | 176.6 | -70.7 | -86.5 | -3.2 | 110.2 | V615 D655 | V615-R617 VanDerWaalsContact C-N 3.31Å; V615-R617 PolarHBondContact O-N 3.46Å; R617-D655 IonicContact CZ-OD1 2.91Å; R617-D655 IonicContact CZ-OD2 3.6Å; R617-D655 IonicContact NH1-OD1 3.97Å; R617-D655 IonicContact NH1-OD2 3.11Å; R617-D655 PolarHBondContact NH1-OD2 3.39Å; R617-D655 IonicContact NH2-OD1 3.09Å; R617-D655 PolarHBondContact NH2-OD1 3.19Å; R617-D655 VanDerWaalsContact NH2-OD1 3.12Å; R617-D655 IonicContact NH2-OD2 3.76Å |
| 618 | L | 86.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | trans | -87.1 | 140.1 | -177.1 | -64.8 | 164.3 | 0 | 0 | 0 | 110.5 | L553 I571 L575 V615 H620 L623 | L553-L618 HydrophobicContact CD1-CD2 4.05Å; L553-L618 HydrophobicContact CD2-CD2 4.12Å; I571-L618 HydrophobicContact CG2-CD2 4.23Å; L575-L618 HydrophobicContact CD1-CD1 4.03Å; V615-L618 VanDerWaalsContact O-CG 3.31Å; V615-L618 WeakPolarHBondContact O-CG 3.42Å; L618-H620 PolarHBondContact O-N 3.27Å; L618-L623 HydrophobicContact CB-CB 3.94Å; L618-L623 HydrophobicContact CD1-CB 3.92Å; L618-L623 WeakPolarHBondContact CD1-O 3.25Å; L618-L623 HydrophobicContact CG-CB 4.39Å | ||
| 619 | P | 82.4 | Confident | 88.7 | Confident | 67 Ų | 67 | 30.9 Ų | 30.9 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -80.4 | 10.6 | -173.7 | 34.2 | -38.4 | 0 | 0 | 0 | 114.3 | F563 L568 | F563-P619 HydrophobicContact CB-CG 4.34Å; F563-P619 HydrophobicContact CG-CG 4.29Å; L568-P619 HydrophobicContact CD2-CG 3.62Å |
| 620 | H | 85.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 20% | 0.199 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -139.1 | 140.6 | -176 | -168.4 | -94.3 | 0 | 0 | 0 | 112.1 | L618 A622 L623 Q624 | L618-H620 PolarHBondContact O-N 3.27Å; H620-A622 PolarHBondContact ND1-N 3.46Å; H620-A622 PolarHBondContact O-N 2.88Å; H620-L623 HydrophobicContact CB-CB 4.22Å; H620-L623 HydrophobicContact CB-CD1 3.96Å; H620-L623 HydrophobicContact CB-CG 4Å; H620-L623 PolarHBondContact O-N 2.99Å; H620-Q624 PolarHBondContact O-N 3.47Å |
| 621 | E | 87.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.6 | -51.1 | -177.4 | 179.4 | 178.5 | 143.5 | 0 | 0 | 113 | R506 L623 Q624 L625 W662 S664 V665 | R506-E621 IonicContact CZ-OE2 3.77Å; R506-E621 IonicContact NH1-OE2 3.46Å; R506-E621 VanDerWaalsContact NH2-CD 3.25Å; R506-E621 IonicContact NH2-OE1 2.89Å; R506-E621 PolarHBondContact NH2-OE1 3.29Å; R506-E621 IonicContact NH2-OE2 3.66Å; R506-E621 PolarHBondContact NH2-OE2 3.06Å; E621-L623 VanDerWaalsContact C-N 3.32Å; E621-L623 PolarHBondContact O-N 3.18Å; E621-Q624 PolarHBondContact O-N 2.88Å; E621-L625 WeakPolarHBondContact O-CB 3.46Å; E621-L625 PolarHBondContact O-N 2.91Å; E621-W662 HydrophobicContact CB-CD2 4.06Å; E621-W662 HydrophobicContact CB-CE3 4.48Å; E621-W662 HydrophobicContact CB-CG 4.11Å; E621-W662 HydrophobicContact CG-CB 4.12Å; E621-W662 HydrophobicContact CG-CG 4.17Å; E621-S664 VanDerWaalsContact CG-OG 3.26Å; E621-S664 WeakPolarHBondContact CG-OG 3.37Å; E621-S664 VanDerWaalsContact OE1-CB 3.29Å; E621-S664 WeakPolarHBondContact OE1-CB 3.41Å; E621-S664 PolarHBondContact OE1-OG 3.47Å; E621-V665 HydrophobicContact CG-CG2 4.15Å |
| 622 | A | 86.6 | Confident | 89 | Confident | 26 Ų | 26 | 29.1 Ų | 29.1 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L503 H620 Q626 | L503-A622 HydrophobicContact CD1-CB 4.38Å; H620-A622 PolarHBondContact ND1-N 3.46Å; H620-A622 PolarHBondContact O-N 2.88Å; A622-Q626 WeakPolarHBondContact O-CB 3.35Å; A622-Q626 VanDerWaalsContact O-CG 3.3Å; A622-Q626 WeakPolarHBondContact O-CG 3.25Å; A622-Q626 PolarHBondContact O-N 2.87Å |
| 623 | L | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.8 | -43.7 | 178.9 | -65.4 | -176.5 | 0 | 0 | 0 | 111 | L503 L568 I571 D572 L618 H620 E621 L625 Q626 Y627 | L503-L623 HydrophobicContact CD1-CD2 4.1Å; L503-L623 HydrophobicContact CD1-CG 4.2Å; L568-L623 HydrophobicContact CB-CD1 4.29Å; L568-L623 HydrophobicContact CD2-CD1 3.87Å; I571-L623 HydrophobicContact CB-CD1 4.36Å; I571-L623 HydrophobicContact CG2-CD1 4.14Å; I571-L623 HydrophobicContact CG2-CD2 4.18Å; D572-L623 VanDerWaalsContact CA-CD2 3.46Å; D572-L623 HydrophobicContact CB-CD2 3.69Å; L618-L623 HydrophobicContact CB-CB 3.94Å; L618-L623 HydrophobicContact CD1-CB 3.92Å; L618-L623 WeakPolarHBondContact CD1-O 3.25Å; L618-L623 HydrophobicContact CG-CB 4.39Å; H620-L623 HydrophobicContact CB-CB 4.22Å; H620-L623 HydrophobicContact CB-CD1 3.96Å; H620-L623 HydrophobicContact CB-CG 4Å; H620-L623 PolarHBondContact O-N 2.99Å; E621-L623 VanDerWaalsContact C-N 3.32Å; E621-L623 PolarHBondContact O-N 3.18Å; L623-L625 VanDerWaalsContact C-N 3.29Å; L623-L625 PolarHBondContact O-N 2.82Å; L623-Q626 PolarHBondContact O-N 3.26Å; L623-Y627 PolarHBondContact O-N 3.4Å |
| 624 | Q | 92.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 176.1 | -169.1 | 65.9 | 37.6 | 0 | 0 | 111.2 | S616 H620 E621 Y627 F628 W662 V665 | S616-Q624 PolarHBondContact O-NE2 3Å; S616-Q624 PolarHBondContact O-OE1 3.44Å; H620-Q624 PolarHBondContact O-N 3.47Å; E621-Q624 PolarHBondContact O-N 2.88Å; Q624-Y627 WeakPolarHBondContact O-CB 3.44Å; Q624-Y627 PolarHBondContact O-N 3.47Å; Q624-F628 HydrophobicContact CG-CD2 4.37Å; Q624-F628 HydrophobicContact CG-CE2 3.9Å; Q624-F628 VanDerWaalsContact NE2-CE2 3.27Å; Q624-F628 WeakPolarHBondContact O-CD2 3.42Å; Q624-F628 PolarHBondContact O-N 2.99Å; Q624-W662 HydrophobicContact CB-CE3 4.28Å; Q624-W662 HydrophobicContact CB-CZ3 3.81Å; Q624-W662 HydrophobicContact CG-CE3 4.44Å; Q624-W662 HydrophobicContact CG-CZ3 4.06Å; Q624-V665 HydrophobicContact CB-CG2 4.34Å; Q624-V665 HydrophobicContact CG-CG1 4.11Å; Q624-V665 HydrophobicContact CG-CG2 4.41Å |
| 625 | L | 91.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 25.1 Ų | 25.1 | 27% | 0.272 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 175.4 | -170 | 122.7 | 0 | 0 | 0 | 111.8 | E621 L623 Y627 F628 E629 R668 | E621-L625 WeakPolarHBondContact O-CB 3.46Å; E621-L625 PolarHBondContact O-N 2.91Å; L623-L625 VanDerWaalsContact C-N 3.29Å; L623-L625 PolarHBondContact O-N 2.82Å; L625-Y627 VanDerWaalsContact C-N 3.28Å; L625-Y627 PolarHBondContact O-N 3.42Å; L625-F628 PolarHBondContact O-N 3.15Å; L625-E629 HydrophobicContact CD2-CG 4.48Å; L625-E629 WeakPolarHBondContact O-CG 3.47Å; L625-E629 PolarHBondContact O-N 2.99Å; L625-R668 HydrophobicContact CD1-CB 3.61Å; L625-R668 HydrophobicContact CD1-CG 3.74Å; L625-R668 HydrophobicContact CG-CG 4.2Å |
| 626 | Q | 91.7 | Very high | 90.8 | Very high | 32 Ų | 32 | 29.6 Ų | 29.6 | 15% | 0.15 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -38.7 | 176.4 | -76.9 | 179.2 | 41.9 | 0 | 0 | 112.5 | D572 L575 A622 L623 E629 I630 | D572-Q626 PolarHBondContact O-OE1 3.28Å; D572-Q626 PolarHBondContact OD1-NE2 2.96Å; L575-Q626 HydrophobicContact CB-CB 4.45Å; L575-Q626 HydrophobicContact CD1-CB 4.31Å; A622-Q626 WeakPolarHBondContact O-CB 3.35Å; A622-Q626 VanDerWaalsContact O-CG 3.3Å; A622-Q626 WeakPolarHBondContact O-CG 3.25Å; A622-Q626 PolarHBondContact O-N 2.87Å; L623-Q626 PolarHBondContact O-N 3.26Å; Q626-E629 WeakPolarHBondContact O-CB 3.47Å; Q626-E629 PolarHBondContact O-N 3.35Å; Q626-I630 VanDerWaalsContact O-CG1 3.27Å; Q626-I630 WeakPolarHBondContact O-CG1 3.42Å; Q626-I630 PolarHBondContact O-N 3.18Å |
| 627 | Y | 94.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.5 | -52.7 | 174.8 | 170 | -99.6 | 0 | 0 | 0 | 111.9 | L610 V615 L623 Q624 L625 E629 I630 M631 | L610-Y627 WeakPolarHBondContact O-CE2 3.25Å; V615-Y627 HydrophobicContact CG1-CD2 3.99Å; V615-Y627 HydrophobicContact CG1-CE2 4.13Å; L623-Y627 PolarHBondContact O-N 3.4Å; Q624-Y627 WeakPolarHBondContact O-CB 3.44Å; Q624-Y627 PolarHBondContact O-N 3.47Å; L625-Y627 VanDerWaalsContact C-N 3.28Å; L625-Y627 PolarHBondContact O-N 3.42Å; Y627-E629 VanDerWaalsContact C-N 3.31Å; Y627-E629 PolarHBondContact O-N 3.15Å; Y627-I630 PolarHBondContact O-N 3.48Å; Y627-M631 HydrophobicContact CD1-CG 4.46Å; Y627-M631 HydrophobicContact CD2-CE 4.27Å; Y627-M631 HydrophobicContact CE1-CG 4.02Å; Y627-M631 HydrophobicContact CE2-CE 3.88Å; Y627-M631 HydrophobicContact CE2-CG 4.08Å; Y627-M631 HydrophobicContact CE2-SD 4.15Å; Y627-M631 WeakPolarHBondContact O-CG 3.29Å; Y627-M631 PolarHBondContact O-N 3.34Å |
| 628 | F | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.2 | -36.2 | 179.6 | -70.8 | -63.9 | 0 | 0 | 0 | 112.4 | Q624 L625 I630 M631 V632 A651 F652 R656 V665 C669 L672 | Q624-F628 HydrophobicContact CG-CD2 4.37Å; Q624-F628 HydrophobicContact CG-CE2 3.9Å; Q624-F628 VanDerWaalsContact NE2-CE2 3.27Å; Q624-F628 WeakPolarHBondContact O-CD2 3.42Å; Q624-F628 PolarHBondContact O-N 2.99Å; L625-F628 PolarHBondContact O-N 3.15Å; F628-I630 VanDerWaalsContact C-N 3.35Å; F628-I630 PolarHBondContact O-N 3.32Å; F628-M631 PolarHBondContact O-N 3.41Å; F628-V632 VanDerWaalsContact O-CG2 3.32Å; F628-V632 WeakPolarHBondContact O-CG2 3.35Å; F628-V632 PolarHBondContact O-N 2.96Å; F628-A651 HydrophobicContact CE1-CB 4.23Å; F628-A651 WeakPolarHBondContact CZ-O 3.36Å; F628-F652 HydrophobicContact CB-CE1 4.05Å; F628-F652 HydrophobicContact CB-CZ 4.07Å; F628-F652 AromaticContact CD1-CD1 3.75Å; F628-F652 HydrophobicContact CD1-CD1 3.75Å; F628-F652 HydrophobicContact CD1-CD2 4.09Å; F628-F652 AromaticContact CD1-CE1 3.42Å; F628-F652 HydrophobicContact CD1-CE1 3.42Å; F628-F652 VanDerWaalsContact CD1-CE1 3.42Å; F628-F652 AromaticContact CD1-CE2 3.79Å; F628-F652 HydrophobicContact CD1-CE2 3.79Å; F628-F652 HydrophobicContact CD1-CG 4.06Å; F628-F652 AromaticContact CD1-CZ 3.45Å; F628-F652 HydrophobicContact CD1-CZ 3.45Å; F628-F652 VanDerWaalsContact CD1-CZ 3.45Å; F628-F652 AromaticContact CE1-CD1 3.91Å; F628-F652 HydrophobicContact CE1-CD1 3.91Å; F628-F652 HydrophobicContact CE1-CD2 4.15Å; F628-F652 HydrophobicContact CE1-CE1 4.08Å; F628-F652 HydrophobicContact CE1-CE2 4.31Å; F628-F652 AromaticContact CE1-CG 3.94Å; F628-F652 HydrophobicContact CE1-CG 3.94Å; F628-F652 HydrophobicContact CE1-CZ 4.28Å; F628-F652 HydrophobicContact CG-CD1 4.49Å; F628-F652 AromaticContact CG-CE1 3.94Å; F628-F652 HydrophobicContact CG-CE1 3.94Å; F628-F652 HydrophobicContact CG-CZ 4.15Å; F628-R656 VanDerWaalsContact CE2-O 3.29Å; F628-R656 WeakPolarHBondContact CE2-O 3.42Å; F628-R656 HydrophobicContact CZ-CB 4.31Å; F628-V665 HydrophobicContact CD2-CG1 4.33Å; F628-V665 HydrophobicContact CE2-CG1 4.04Å; F628-C669 WeakPolarHBondContact CD2-SG 3.31Å; F628-C669 WeakPolarHBondContact CE2-SG 3.49Å; F628-L672 HydrophobicContact CB-CD1 3.63Å |
| 629 | E | 94.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 27.5 Ų | 27.5 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.2 | -70.8 | -71.8 | 178.9 | 0 | 0 | 112.3 | Y579 L625 Q626 Y627 V632 R633 R668 L672 | Y579-E629 HydrophobicContact CD2-CB 4.32Å; Y579-E629 HydrophobicContact CE2-CB 3.93Å; L625-E629 HydrophobicContact CD2-CG 4.48Å; L625-E629 WeakPolarHBondContact O-CG 3.47Å; L625-E629 PolarHBondContact O-N 2.99Å; Q626-E629 WeakPolarHBondContact O-CB 3.47Å; Q626-E629 PolarHBondContact O-N 3.35Å; Y627-E629 VanDerWaalsContact C-N 3.31Å; Y627-E629 PolarHBondContact O-N 3.15Å; E629-V632 PolarHBondContact O-N 3.33Å; E629-R633 VanDerWaalsContact O-CB 3.28Å; E629-R633 WeakPolarHBondContact O-CB 3.22Å; E629-R633 PolarHBondContact O-N 3.5Å; E629-R668 IonicContact OE1-CZ 2.76Å; E629-R668 IonicContact OE1-NE 2.68Å; E629-R668 PolarHBondContact OE1-NE 3.39Å; E629-R668 IonicContact OE1-NH2 2.86Å; E629-R668 PolarHBondContact OE1-NH2 3.36Å; E629-R668 IonicContact OE2-NH2 3.85Å; E629-L672 HydrophobicContact CG-CD1 4.35Å |
| 630 | I | 95 | Very high | 92 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 177.3 | -68.8 | 165.9 | 0 | 0 | 0 | 110.3 | L575 F578 Y579 L610 Q626 Y627 F628 V632 R633 Y634 | L575-I630 HydrophobicContact CB-CD1 3.7Å; L575-I630 HydrophobicContact CD2-CD1 3.73Å; L575-I630 HydrophobicContact CG-CD1 4.21Å; L575-I630 WeakPolarHBondContact O-CD1 3.5Å; F578-I630 HydrophobicContact CD1-CG2 3.72Å; F578-I630 HydrophobicContact CE1-CG2 3.77Å; Y579-I630 HydrophobicContact CD2-CG1 4.09Å; L610-I630 HydrophobicContact CD1-CG2 4.06Å; Q626-I630 VanDerWaalsContact O-CG1 3.27Å; Q626-I630 WeakPolarHBondContact O-CG1 3.42Å; Q626-I630 PolarHBondContact O-N 3.18Å; Y627-I630 PolarHBondContact O-N 3.48Å; F628-I630 VanDerWaalsContact C-N 3.35Å; F628-I630 PolarHBondContact O-N 3.32Å; I630-V632 VanDerWaalsContact C-N 3.29Å; I630-V632 PolarHBondContact O-N 2.91Å; I630-R633 PolarHBondContact O-N 3.19Å; I630-Y634 HydrophobicContact CG2-CD2 3.79Å; I630-Y634 HydrophobicContact CG2-CE2 4.19Å; I630-Y634 WeakPolarHBondContact O-CD2 3.41Å; I630-Y634 PolarHBondContact O-N 3.5Å |
| 631 | M | 95 | Very high | 92.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.2 | -41.2 | 178.2 | -66.5 | -56.5 | 107.9 | 0 | 0 | 111.9 | M607 L610 Y627 F628 E635 F638 V648 | M607-M631 HydrophobicContact CE-CE 3.98Å; M607-M631 HydrophobicContact CE-SD 4.2Å; L610-M631 HydrophobicContact CB-CE 3.95Å; Y627-M631 HydrophobicContact CD1-CG 4.46Å; Y627-M631 HydrophobicContact CD2-CE 4.27Å; Y627-M631 HydrophobicContact CE1-CG 4.02Å; Y627-M631 HydrophobicContact CE2-CE 3.88Å; Y627-M631 HydrophobicContact CE2-CG 4.08Å; Y627-M631 HydrophobicContact CE2-SD 4.15Å; Y627-M631 WeakPolarHBondContact O-CG 3.29Å; Y627-M631 PolarHBondContact O-N 3.34Å; F628-M631 PolarHBondContact O-N 3.41Å; M631-E635 PolarHBondContact O-N 3.23Å; M631-F638 HydrophobicContact SD-CZ 4Å; M631-V648 HydrophobicContact CB-CG1 4Å; M631-V648 HydrophobicContact CG-CG1 3.89Å; M631-V648 HydrophobicContact SD-CG1 4.34Å; M631-V648 HydrophobicContact SD-CG2 3.99Å |
| 632 | V | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -75.2 | -38.4 | 177.8 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | F628 E629 I630 Y634 E635 F652 L672 R675 M676 | F628-V632 VanDerWaalsContact O-CG2 3.32Å; F628-V632 WeakPolarHBondContact O-CG2 3.35Å; F628-V632 PolarHBondContact O-N 2.96Å; E629-V632 PolarHBondContact O-N 3.33Å; I630-V632 VanDerWaalsContact C-N 3.29Å; I630-V632 PolarHBondContact O-N 2.91Å; V632-Y634 VanDerWaalsContact C-N 3.32Å; V632-Y634 PolarHBondContact O-N 2.9Å; V632-E635 WeakPolarHBondContact O-CB 3.48Å; V632-E635 PolarHBondContact O-N 3.29Å; V632-F652 HydrophobicContact CG2-CZ 3.74Å; V632-L672 HydrophobicContact CB-CD2 4.13Å; V632-L672 HydrophobicContact CG1-CD2 4.22Å; V632-L672 HydrophobicContact CG2-CB 3.75Å; V632-L672 HydrophobicContact CG2-CD1 4.48Å; V632-L672 HydrophobicContact CG2-CD2 3.91Å; V632-L672 HydrophobicContact CG2-CG 4.24Å; V632-R675 HydrophobicContact CG1-CB 3.82Å; V632-M676 HydrophobicContact CB-CG 4.4Å; V632-M676 HydrophobicContact CB-SD 4.21Å; V632-M676 HydrophobicContact CG1-SD 4.47Å; V632-M676 HydrophobicContact CG2-CG 3.53Å; V632-M676 HydrophobicContact CG2-SD 3.89Å |
| 633 | R | 92.7 | Very high | 92.5 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 177.3 | 173.9 | 175.3 | -75.8 | -106.6 | 5.8 | 111.3 | Y579 E583 E629 I630 E635 | Y579-R633 VanDerWaalsContact CD2-NE 3.28Å; Y579-R633 HydrophobicContact CE2-CB 4.4Å; Y579-R633 VanDerWaalsContact CZ-NE 3.32Å; Y579-R633 PolarHBondContact OH-NH2 2.95Å; E583-R633 VanDerWaalsContact CA-NH1 3.33Å; E583-R633 VanDerWaalsContact CB-NH1 3.35Å; E583-R633 IonicContact OE2-CZ 2.68Å; E583-R633 IonicContact OE2-NH1 3.88Å; E583-R633 IonicContact OE2-NH2 3.12Å; E583-R633 PolarHBondContact OE2-NH2 2.91Å; E629-R633 VanDerWaalsContact O-CB 3.28Å; E629-R633 WeakPolarHBondContact O-CB 3.22Å; E629-R633 PolarHBondContact O-N 3.5Å; I630-R633 PolarHBondContact O-N 3.19Å; R633-E635 VanDerWaalsContact C-N 3.35Å |
| 634 | Y | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 27.1 | -177.8 | -65.6 | -67.8 | 0 | 0 | 0 | 113 | F578 G582 H592 F593 M603 M607 I630 V632 R636 Y637 | F578-Y634 HydrophobicContact CD1-CD2 4.24Å; F578-Y634 AromaticContact CD1-CE2 3.66Å; F578-Y634 HydrophobicContact CD1-CE2 3.66Å; F578-Y634 AromaticContact CE1-CD2 3.51Å; F578-Y634 HydrophobicContact CE1-CD2 3.51Å; F578-Y634 AromaticContact CE1-CE2 3.24Å; F578-Y634 HydrophobicContact CE1-CE2 3.24Å; F578-Y634 HydrophobicContact CE1-CG 4.37Å; F578-Y634 AromaticContact CE1-CZ 3.95Å; F578-Y634 HydrophobicContact CE2-CE2 4.28Å; F578-Y634 HydrophobicContact CG-CE2 4.33Å; F578-Y634 AromaticContact CZ-CD2 3.96Å; F578-Y634 HydrophobicContact CZ-CD2 3.96Å; F578-Y634 HydrophobicContact CZ-CE1 4.39Å; F578-Y634 AromaticContact CZ-CE2 3.6Å; F578-Y634 HydrophobicContact CZ-CE2 3.6Å; F578-Y634 HydrophobicContact CZ-CG 4.47Å; F578-Y634 AromaticContact CZ-CZ 3.81Å; F578-Y634 PolarHBondContact O-OH 3.04Å; G582-Y634 WeakPolarHBondContact CA-OH 3.34Å; G582-Y634 PolarHBondContact N-OH 3.37Å; H592-Y634 AromaticContact ND1-CE1 3.82Å; F593-Y634 AromaticContact CE2-CD1 3.88Å; F593-Y634 HydrophobicContact CE2-CD1 3.88Å; F593-Y634 HydrophobicContact CE2-CG 4.28Å; F593-Y634 AromaticContact CZ-CD1 3.84Å; F593-Y634 HydrophobicContact CZ-CD1 3.84Å; F593-Y634 HydrophobicContact CZ-CG 4.11Å; M603-Y634 HydrophobicContact CE-CE1 3.81Å; M607-Y634 HydrophobicContact SD-CD2 4.22Å; M607-Y634 HydrophobicContact SD-CG 4.21Å; I630-Y634 HydrophobicContact CG2-CD2 3.79Å; I630-Y634 HydrophobicContact CG2-CE2 4.19Å; I630-Y634 WeakPolarHBondContact O-CD2 3.41Å; I630-Y634 PolarHBondContact O-N 3.5Å; V632-Y634 VanDerWaalsContact C-N 3.32Å; V632-Y634 PolarHBondContact O-N 2.9Å; Y634-R636 PolarHBondContact O-N 3.46Å; Y634-Y637 VanDerWaalsContact O-CB 3.24Å; Y634-Y637 WeakPolarHBondContact O-CB 3.35Å; Y634-Y637 PolarHBondContact O-N 3.17Å |
| 635 | E | 92.8 | Very high | 92.6 | Very high | 30 Ų | 30 | 37 Ų | 37 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25 | -176.9 | 64.8 | 174.4 | -170.6 | 0 | 0 | 114 | M631 V632 R633 Y637 F638 M676 S679 H680 | M631-E635 PolarHBondContact O-N 3.23Å; V632-E635 WeakPolarHBondContact O-CB 3.48Å; V632-E635 PolarHBondContact O-N 3.29Å; R633-E635 VanDerWaalsContact C-N 3.35Å; E635-Y637 PolarHBondContact O-N 3.49Å; E635-F638 HydrophobicContact CB-CD2 4.5Å; E635-F638 WeakPolarHBondContact O-CD2 3.46Å; E635-F638 PolarHBondContact O-N 2.87Å; E635-F638 VanDerWaalsContact O-N 3.14Å; E635-M676 HydrophobicContact CB-CE 4.42Å; E635-M676 HydrophobicContact CB-SD 3.71Å; E635-S679 WeakPolarHBondContact OE1-CB 3.36Å; E635-S679 PolarHBondContact OE1-OG 3.37Å; E635-S679 WeakPolarHBondContact OE2-CB 3.5Å; E635-S679 PolarHBondContact OE2-OG 3.39Å; E635-H680 PolarHBondContact O-CE1 3.47Å; E635-H680 PolarHBondContact O-NE2 3.41Å |
| 636 | R | 91.8 | Very high | 92.5 | Very high | 100 Ų | 100 | 37.3 Ų | 37.3 | 38% | 0.377 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.2 | 177.2 | -68 | -67.3 | -177.2 | 165.4 | -3.8 | 113 | D591 F593 Y634 F638 S639 | D591-R636 HydrophobicContact CB-CG 4.3Å; F593-R636 HydrophobicContact CD2-CB 4.01Å; Y634-R636 PolarHBondContact O-N 3.46Å; R636-F638 PolarHBondContact O-N 2.92Å; R636-S639 WeakPolarHBondContact O-CB 3.48Å; R636-S639 PolarHBondContact O-N 3.09Å |
| 637 | Y | 93.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.1 | -40.3 | 173.7 | 173.5 | -107.2 | 0 | 0 | 0 | 112.3 | F593 V604 M607 Y634 E635 S639 L640 V641 H644 | F593-Y637 AromaticContact CD1-CD2 3.82Å; F593-Y637 HydrophobicContact CD1-CD2 3.82Å; F593-Y637 HydrophobicContact CD1-CG 4.48Å; F593-Y637 VanDerWaalsContact CD2-N 3.33Å; F593-Y637 AromaticContact CE1-CD2 3.82Å; F593-Y637 HydrophobicContact CE1-CD2 3.82Å; F593-Y637 HydrophobicContact CE1-CG 4.28Å; F593-Y637 HydrophobicContact CG-CD2 4.39Å; F593-Y637 HydrophobicContact CZ-CD2 4.42Å; F593-Y637 HydrophobicContact CZ-CG 4.44Å; V604-Y637 HydrophobicContact CG1-CE2 4.3Å; M607-Y637 HydrophobicContact CB-CD1 4.01Å; M607-Y637 HydrophobicContact CB-CD2 3.58Å; M607-Y637 HydrophobicContact CB-CE1 4.02Å; M607-Y637 HydrophobicContact CB-CE2 3.58Å; M607-Y637 HydrophobicContact CB-CG 3.79Å; M607-Y637 HydrophobicContact CE-CD1 3.81Å; M607-Y637 HydrophobicContact CE-CG 4.03Å; M607-Y637 HydrophobicContact CG-CD1 4.49Å; M607-Y637 HydrophobicContact CG-CD2 4.04Å; M607-Y637 HydrophobicContact CG-CG 4.02Å; Y634-Y637 VanDerWaalsContact O-CB 3.24Å; Y634-Y637 WeakPolarHBondContact O-CB 3.35Å; Y634-Y637 PolarHBondContact O-N 3.17Å; E635-Y637 PolarHBondContact O-N 3.49Å; Y637-S639 PolarHBondContact O-N 2.72Å; Y637-L640 WeakPolarHBondContact O-CA 3.25Å; Y637-L640 WeakPolarHBondContact O-CB 3.42Å; Y637-L640 PolarHBondContact O-N 2.89Å; Y637-V641 HydrophobicContact CE1-CB 4.28Å; Y637-V641 HydrophobicContact CE2-CB 4.41Å; Y637-V641 HydrophobicContact CE2-CG2 3.98Å; Y637-V641 PolarHBondContact O-N 3.46Å; Y637-H644 HydrophobicContact CE1-CB 4.24Å; Y637-H644 AromaticContact CE1-ND1 3.57Å; Y637-H644 AromaticContact CZ-ND1 3.67Å; Y637-H644 PolarHBondContact OH-CE1 2.97Å; Y637-H644 VanDerWaalsContact OH-CE1 3.3Å; Y637-H644 PolarHBondContact OH-ND1 3.4Å |
| 638 | F | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.7 | -14.3 | -178.9 | -55.4 | -65 | 0 | 0 | 0 | 113.4 | M631 E635 R636 L640 P642 H644 L645 V648 M676 | M631-F638 HydrophobicContact SD-CZ 4Å; E635-F638 HydrophobicContact CB-CD2 4.5Å; E635-F638 WeakPolarHBondContact O-CD2 3.46Å; E635-F638 PolarHBondContact O-N 2.87Å; E635-F638 VanDerWaalsContact O-N 3.14Å; R636-F638 PolarHBondContact O-N 2.92Å; F638-L640 VanDerWaalsContact C-N 3.3Å; F638-P642 WeakPolarHBondContact O-CA 3.4Å; F638-H644 HydrophobicContact CD1-CB 4.24Å; F638-H644 HydrophobicContact CE1-CB 4.15Å; F638-L645 HydrophobicContact CB-CB 4.11Å; F638-L645 HydrophobicContact CB-CD1 3.97Å; F638-L645 HydrophobicContact CB-CG 4.46Å; F638-L645 HydrophobicContact CD1-CB 4.11Å; F638-L645 HydrophobicContact CD1-CD1 4.33Å; F638-L645 HydrophobicContact CD2-CD1 4.13Å; F638-L645 HydrophobicContact CG-CB 4.27Å; F638-L645 HydrophobicContact CG-CD1 3.88Å; F638-V648 HydrophobicContact CE1-CB 4.37Å; F638-V648 HydrophobicContact CE1-CG2 3.87Å; F638-V648 HydrophobicContact CZ-CB 4.24Å; F638-V648 HydrophobicContact CZ-CG1 4.21Å; F638-V648 HydrophobicContact CZ-CG2 3.88Å; F638-M676 HydrophobicContact CD2-CE 3.59Å; F638-M676 HydrophobicContact CE2-CE 3.45Å; F638-M676 VanDerWaalsContact CE2-CE 3.45Å; F638-M676 HydrophobicContact CZ-CE 4.39Å |
| 639 | S | 90.2 | Very high | 92.2 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 57% | 0.566 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -73.5 | -24.5 | 168 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | R636 Y637 H680 | R636-S639 WeakPolarHBondContact O-CB 3.48Å; R636-S639 PolarHBondContact O-N 3.09Å; Y637-S639 PolarHBondContact O-N 2.72Å; S639-H680 PolarHBondContact OG-CE1 2.97Å |
| 640 | L | 89.9 | Confident | 92 | Very high | 86 Ų | 86 | 41.3 Ų | 41.3 | 45% | 0.45 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -88.1 | -45.5 | 175.5 | -178.3 | 69.4 | 0 | 0 | 0 | 111.5 | V604 Y637 F638 P642 | V604-L640 HydrophobicContact CG2-CD2 3.7Å; Y637-L640 WeakPolarHBondContact O-CA 3.25Å; Y637-L640 WeakPolarHBondContact O-CB 3.42Å; Y637-L640 PolarHBondContact O-N 2.89Å; F638-L640 VanDerWaalsContact C-N 3.3Å; L640-P642 WeakPolarHBondContact O-CD 3.24Å |
| 641 | V | 91.5 | Very high | 91.9 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | trans | -120.5 | 81 | -179.1 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | Y637 E643 H644 | Y637-V641 HydrophobicContact CE1-CB 4.28Å; Y637-V641 HydrophobicContact CE2-CB 4.41Å; Y637-V641 HydrophobicContact CE2-CG2 3.98Å; Y637-V641 PolarHBondContact O-N 3.46Å; V641-E643 PolarHBondContact O-N 3.44Å; V641-H644 HydrophobicContact CG1-CB 4.5Å; V641-H644 PolarHBondContact O-N 3.18Å | ||
| 642 | P | 88.9 | Confident | 91.8 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.4 | -177.1 | 26.8 | -34.8 | 0 | 0 | 0 | 113.4 | F638 L640 H644 L645 T683 | F638-P642 WeakPolarHBondContact O-CA 3.4Å; L640-P642 WeakPolarHBondContact O-CD 3.24Å; P642-H644 VanDerWaalsContact C-N 3.27Å; P642-H644 PolarHBondContact O-N 3.48Å; P642-L645 VanDerWaalsContact O-CB 3.25Å; P642-L645 WeakPolarHBondContact O-CB 3.03Å; P642-L645 PolarHBondContact O-N 3.38Å; P642-L645 VanDerWaalsContact O-N 3.1Å; P642-T683 HydrophobicContact CB-CG2 4.35Å |
| 643 | E | 89.6 | Confident | 91.7 | Very high | 155 Ų | 155 | 41.2 Ų | 41.2 | 72% | 0.724 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -59 | -38 | 178 | -62.6 | -177.3 | 175.6 | 0 | 0 | 112.2 | V641 L645 | V641-E643 PolarHBondContact O-N 3.44Å; E643-L645 VanDerWaalsContact C-N 3.29Å; E643-L645 PolarHBondContact O-N 2.87Å |
| 644 | H | 92.1 | Very high | 91.6 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.3 | -19 | 178.9 | -66.7 | 172.3 | 0 | 0 | 0 | 113.3 | C611 Y637 F638 V641 P642 L646 N647 V648 | C611-H644 HydrophobicContact CB-CB 4.16Å; Y637-H644 HydrophobicContact CE1-CB 4.24Å; Y637-H644 AromaticContact CE1-ND1 3.57Å; Y637-H644 AromaticContact CZ-ND1 3.67Å; Y637-H644 PolarHBondContact OH-CE1 2.97Å; Y637-H644 VanDerWaalsContact OH-CE1 3.3Å; Y637-H644 PolarHBondContact OH-ND1 3.4Å; F638-H644 HydrophobicContact CD1-CB 4.24Å; F638-H644 HydrophobicContact CE1-CB 4.15Å; V641-H644 HydrophobicContact CG1-CB 4.5Å; V641-H644 PolarHBondContact O-N 3.18Å; P642-H644 VanDerWaalsContact C-N 3.27Å; P642-H644 PolarHBondContact O-N 3.48Å; H644-L646 PolarHBondContact O-N 3.28Å; H644-N647 PolarHBondContact O-N 2.98Å; H644-V648 WeakPolarHBondContact O-CG2 3.4Å; H644-V648 PolarHBondContact O-N 2.78Å |
| 645 | L | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | -177.2 | -179.3 | 61.3 | 0 | 0 | 0 | 111.5 | F638 P642 E643 N647 V648 M649 M676 H680 T683 L684 | F638-L645 HydrophobicContact CB-CB 4.11Å; F638-L645 HydrophobicContact CB-CD1 3.97Å; F638-L645 HydrophobicContact CB-CG 4.46Å; F638-L645 HydrophobicContact CD1-CB 4.11Å; F638-L645 HydrophobicContact CD1-CD1 4.33Å; F638-L645 HydrophobicContact CD2-CD1 4.13Å; F638-L645 HydrophobicContact CG-CB 4.27Å; F638-L645 HydrophobicContact CG-CD1 3.88Å; P642-L645 VanDerWaalsContact O-CB 3.25Å; P642-L645 WeakPolarHBondContact O-CB 3.03Å; P642-L645 PolarHBondContact O-N 3.38Å; P642-L645 VanDerWaalsContact O-N 3.1Å; E643-L645 VanDerWaalsContact C-N 3.29Å; E643-L645 PolarHBondContact O-N 2.87Å; L645-N647 VanDerWaalsContact C-N 3.33Å; L645-N647 PolarHBondContact O-N 2.81Å; L645-V648 PolarHBondContact O-N 2.94Å; L645-M649 HydrophobicContact CD1-CG 4.08Å; L645-M649 HydrophobicContact CG-CG 4.25Å; L645-M649 WeakPolarHBondContact O-CB 3.2Å; L645-M649 VanDerWaalsContact O-CG 3.22Å; L645-M649 WeakPolarHBondContact O-CG 3.48Å; L645-M649 PolarHBondContact O-N 3.18Å; L645-M676 HydrophobicContact CD1-CE 3.89Å; L645-H680 HydrophobicContact CD1-CB 4.46Å; L645-H680 HydrophobicContact CD2-CB 3.75Å; L645-T683 HydrophobicContact CD2-CG2 3.9Å; L645-L684 HydrophobicContact CD2-CD2 4.02Å; L645-L684 HydrophobicContact CD2-CG 4.3Å; L645-L684 HydrophobicContact CG-CD2 4.28Å |
| 646 | L | 89.6 | Confident | 91.3 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.9 | -38.7 | -177.3 | -67 | 176.1 | 0 | 0 | 0 | 111.5 | H644 V648 M649 L650 L684 | H644-L646 PolarHBondContact O-N 3.28Å; L646-V648 PolarHBondContact O-N 2.87Å; L646-M649 PolarHBondContact O-N 3.44Å; L646-L650 WeakPolarHBondContact O-CG 3.33Å; L646-L650 PolarHBondContact O-N 3.45Å; L646-L684 HydrophobicContact CD2-CD2 4.33Å |
| 647 | N | 89.6 | Confident | 91.3 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63 | -43.8 | 177 | -65.5 | -11 | 0 | 0 | 0 | 111.9 | H644 L645 L650 A651 | H644-N647 PolarHBondContact O-N 2.98Å; L645-N647 VanDerWaalsContact C-N 3.33Å; L645-N647 PolarHBondContact O-N 2.81Å; N647-L650 PolarHBondContact O-N 3.09Å; N647-A651 PolarHBondContact O-N 3.01Å; N647-A651 VanDerWaalsContact O-N 3.14Å |
| 648 | V | 92.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 111 | M631 F638 H644 L645 L646 L650 A651 F652 | M631-V648 HydrophobicContact CB-CG1 4Å; M631-V648 HydrophobicContact CG-CG1 3.89Å; M631-V648 HydrophobicContact SD-CG1 4.34Å; M631-V648 HydrophobicContact SD-CG2 3.99Å; F638-V648 HydrophobicContact CE1-CB 4.37Å; F638-V648 HydrophobicContact CE1-CG2 3.87Å; F638-V648 HydrophobicContact CZ-CB 4.24Å; F638-V648 HydrophobicContact CZ-CG1 4.21Å; F638-V648 HydrophobicContact CZ-CG2 3.88Å; H644-V648 WeakPolarHBondContact O-CG2 3.4Å; H644-V648 PolarHBondContact O-N 2.78Å; L645-V648 PolarHBondContact O-N 2.94Å; L646-V648 PolarHBondContact O-N 2.87Å; V648-L650 VanDerWaalsContact C-N 3.34Å; V648-L650 PolarHBondContact O-N 3.1Å; V648-A651 WeakPolarHBondContact O-CB 3.33Å; V648-A651 PolarHBondContact O-N 3.11Å; V648-A651 VanDerWaalsContact O-N 3.14Å; V648-F652 HydrophobicContact CG1-CD2 4.02Å; V648-F652 HydrophobicContact CG1-CE2 3.82Å; V648-F652 WeakPolarHBondContact O-CD2 3.44Å; V648-F652 PolarHBondContact O-N 3.03Å |
| 649 | M | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.2 | -36.3 | 175.8 | -72.7 | -62.9 | -58.5 | 0 | 0 | 112.6 | L645 L646 A651 F652 V653 I673 M676 I677 L684 Y691 | L645-M649 HydrophobicContact CD1-CG 4.08Å; L645-M649 HydrophobicContact CG-CG 4.25Å; L645-M649 WeakPolarHBondContact O-CB 3.2Å; L645-M649 VanDerWaalsContact O-CG 3.22Å; L645-M649 WeakPolarHBondContact O-CG 3.48Å; L645-M649 PolarHBondContact O-N 3.18Å; L646-M649 PolarHBondContact O-N 3.44Å; M649-A651 VanDerWaalsContact C-N 3.32Å; M649-F652 WeakPolarHBondContact O-CB 3.29Å; M649-F652 PolarHBondContact O-N 2.93Å; M649-F652 HydrophobicContact SD-CD2 4.48Å; M649-V653 VanDerWaalsContact O-CG2 3.3Å; M649-V653 WeakPolarHBondContact O-CG2 3.47Å; M649-V653 PolarHBondContact O-N 2.87Å; M649-I673 HydrophobicContact CE-CD1 4.13Å; M649-I673 HydrophobicContact CE-CG1 3.92Å; M649-M676 HydrophobicContact SD-CB 4.21Å; M649-I677 HydrophobicContact CE-CD1 4.19Å; M649-I677 HydrophobicContact CE-CG1 3.9Å; M649-L684 HydrophobicContact CE-CD1 4.05Å; M649-L684 HydrophobicContact CG-CD2 3.96Å; M649-L684 HydrophobicContact SD-CD1 4.3Å; M649-Y691 HydrophobicContact CB-CE1 4.11Å; M649-Y691 WeakPolarHBondContact CB-OH 3.38Å; M649-Y691 HydrophobicContact CE-CD1 4.4Å; M649-Y691 HydrophobicContact CE-CE1 3.84Å |
| 650 | L | 91.6 | Very high | 91 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 36% | 0.356 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 170.5 | -74.2 | 169.3 | 0 | 0 | 0 | 111.1 | L646 N647 V648 F652 V653 D654 | L646-L650 WeakPolarHBondContact O-CG 3.33Å; L646-L650 PolarHBondContact O-N 3.45Å; N647-L650 PolarHBondContact O-N 3.09Å; V648-L650 VanDerWaalsContact C-N 3.34Å; V648-L650 PolarHBondContact O-N 3.1Å; L650-F652 VanDerWaalsContact C-N 3.29Å; L650-F652 PolarHBondContact O-N 3.27Å; L650-V653 PolarHBondContact O-N 3.33Å; L650-V653 VanDerWaalsContact O-N 3.09Å; L650-D654 WeakPolarHBondContact O-CB 3.39Å; L650-D654 PolarHBondContact O-N 3.46Å |
| 651 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -32.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F628 N647 V648 M649 V653 R656 G657 | F628-A651 HydrophobicContact CE1-CB 4.23Å; F628-A651 WeakPolarHBondContact CZ-O 3.36Å; N647-A651 PolarHBondContact O-N 3.01Å; N647-A651 VanDerWaalsContact O-N 3.14Å; V648-A651 WeakPolarHBondContact O-CB 3.33Å; V648-A651 PolarHBondContact O-N 3.11Å; V648-A651 VanDerWaalsContact O-N 3.14Å; M649-A651 VanDerWaalsContact C-N 3.32Å; A651-V653 VanDerWaalsContact C-N 3.32Å; A651-R656 VanDerWaalsContact CA-NH2 3.34Å; A651-G657 PolarHBondContact O-N 2.96Å; A651-G657 VanDerWaalsContact O-N 3.17Å |
| 652 | F | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.1 | -35.5 | 172.7 | -89.4 | -75.3 | 0 | 0 | 0 | 112.3 | F628 V632 V648 M649 L650 L658 C669 L672 I673 M676 | F628-F652 HydrophobicContact CB-CE1 4.05Å; F628-F652 HydrophobicContact CB-CZ 4.07Å; F628-F652 AromaticContact CD1-CD1 3.75Å; F628-F652 HydrophobicContact CD1-CD1 3.75Å; F628-F652 HydrophobicContact CD1-CD2 4.09Å; F628-F652 AromaticContact CD1-CE1 3.42Å; F628-F652 HydrophobicContact CD1-CE1 3.42Å; F628-F652 VanDerWaalsContact CD1-CE1 3.42Å; F628-F652 AromaticContact CD1-CE2 3.79Å; F628-F652 HydrophobicContact CD1-CE2 3.79Å; F628-F652 HydrophobicContact CD1-CG 4.06Å; F628-F652 AromaticContact CD1-CZ 3.45Å; F628-F652 HydrophobicContact CD1-CZ 3.45Å; F628-F652 VanDerWaalsContact CD1-CZ 3.45Å; F628-F652 AromaticContact CE1-CD1 3.91Å; F628-F652 HydrophobicContact CE1-CD1 3.91Å; F628-F652 HydrophobicContact CE1-CD2 4.15Å; F628-F652 HydrophobicContact CE1-CE1 4.08Å; F628-F652 HydrophobicContact CE1-CE2 4.31Å; F628-F652 AromaticContact CE1-CG 3.94Å; F628-F652 HydrophobicContact CE1-CG 3.94Å; F628-F652 HydrophobicContact CE1-CZ 4.28Å; F628-F652 HydrophobicContact CG-CD1 4.49Å; F628-F652 AromaticContact CG-CE1 3.94Å; F628-F652 HydrophobicContact CG-CE1 3.94Å; F628-F652 HydrophobicContact CG-CZ 4.15Å; V632-F652 HydrophobicContact CG2-CZ 3.74Å; V648-F652 HydrophobicContact CG1-CD2 4.02Å; V648-F652 HydrophobicContact CG1-CE2 3.82Å; V648-F652 WeakPolarHBondContact O-CD2 3.44Å; V648-F652 PolarHBondContact O-N 3.03Å; M649-F652 WeakPolarHBondContact O-CB 3.29Å; M649-F652 PolarHBondContact O-N 2.93Å; M649-F652 HydrophobicContact SD-CD2 4.48Å; L650-F652 VanDerWaalsContact C-N 3.29Å; L650-F652 PolarHBondContact O-N 3.27Å; F652-L658 WeakPolarHBondContact O-CB 3.43Å; F652-L658 VanDerWaalsContact O-CG 3.25Å; F652-L658 WeakPolarHBondContact O-CG 3.37Å; F652-L658 PolarHBondContact O-N 3.31Å; F652-C669 HydrophobicContact CD1-CB 4.3Å; F652-L672 HydrophobicContact CE1-CB 3.68Å; F652-L672 HydrophobicContact CZ-CB 4.16Å; F652-I673 HydrophobicContact CB-CD1 3.94Å; F652-I673 HydrophobicContact CB-CG1 4.12Å; F652-I673 HydrophobicContact CD1-CB 4Å; F652-I673 HydrophobicContact CD1-CG1 4.38Å; F652-I673 HydrophobicContact CG-CB 4.37Å; F652-I673 HydrophobicContact CG-CG1 4.25Å; F652-M676 HydrophobicContact CE2-CG 4Å; F652-M676 HydrophobicContact CZ-CG 4.17Å |
| 653 | V | 91.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -97 | -15.3 | -168.1 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | M649 L650 A651 H659 I673 Y691 R694 F695 | M649-V653 VanDerWaalsContact O-CG2 3.3Å; M649-V653 WeakPolarHBondContact O-CG2 3.47Å; M649-V653 PolarHBondContact O-N 2.87Å; L650-V653 PolarHBondContact O-N 3.33Å; L650-V653 VanDerWaalsContact O-N 3.09Å; A651-V653 VanDerWaalsContact C-N 3.32Å; V653-H659 PolarHBondContact O-CE1 3.2Å; V653-H659 PolarHBondContact O-ND1 2.73Å; V653-I673 HydrophobicContact CG2-CD1 3.79Å; V653-Y691 HydrophobicContact CG2-CD1 3.96Å; V653-Y691 HydrophobicContact CG2-CE1 4.06Å; V653-R694 HydrophobicContact CG1-CB 3.33Å; V653-R694 HydrophobicContact CG1-CG 3.65Å; V653-F695 HydrophobicContact CG2-CE1 4.38Å |
| 654 | D | 90.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -96 | -161.3 | -179.6 | 71 | 13.4 | 0 | 0 | 0 | 114.1 | L650 R656 G657 H659 | L650-D654 WeakPolarHBondContact O-CB 3.39Å; L650-D654 PolarHBondContact O-N 3.46Å; D654-R656 PolarHBondContact O-N 3.15Å; D654-R656 VanDerWaalsContact O-N 3.14Å; D654-R656 WeakPolarHBondContact OD1-CB 3.25Å; D654-R656 WeakPolarHBondContact OD1-CG 3.23Å; D654-R656 IonicContact OD1-CZ 3.36Å; D654-R656 PolarHBondContact OD1-N 3.36Å; D654-R656 IonicContact OD1-NE 3.58Å; D654-R656 PolarHBondContact OD1-NE 2.99Å; D654-R656 VanDerWaalsContact OD1-NE 3.09Å; D654-R656 IonicContact OD1-NH2 3.69Å; D654-R656 IonicContact OD2-CZ 3.6Å; D654-R656 IonicContact OD2-NE 2.66Å; D654-R656 PolarHBondContact OD2-NE 3.49Å; D654-R656 IonicContact OD2-NH2 3.27Å; D654-R656 PolarHBondContact OD2-NH2 3.28Å; D654-G657 PolarHBondContact O-N 2.99Å; D654-H659 WeakPolarHBondContact O-CB 3.28Å; D654-H659 PolarHBondContact O-N 2.82Å |
| 655 | D | 90.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 33.4 Ų | 33.4 | 41% | 0.406 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.5 | -179.6 | 71.4 | -45.5 | 0 | 0 | 0 | 114 | R617 S660 | R617-D655 IonicContact CZ-OD1 2.91Å; R617-D655 IonicContact CZ-OD2 3.6Å; R617-D655 IonicContact NH1-OD1 3.97Å; R617-D655 IonicContact NH1-OD2 3.11Å; R617-D655 PolarHBondContact NH1-OD2 3.39Å; R617-D655 IonicContact NH2-OD1 3.09Å; R617-D655 PolarHBondContact NH2-OD1 3.19Å; R617-D655 VanDerWaalsContact NH2-OD1 3.12Å; R617-D655 IonicContact NH2-OD2 3.76Å; D655-S660 VanDerWaalsContact O-CA 3.26Å; D655-S660 WeakPolarHBondContact O-CA 3.46Å |
| 656 | R | 90.6 | Very high | 90.1 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 11% | 0.109 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -30.8 | 175.4 | -61.6 | 173.1 | -79.5 | -177.9 | 0.5 | 112 | S616 F628 A651 D654 | S616-R656 WeakPolarHBondContact O-CD 3.36Å; S616-R656 PolarHBondContact OG-NH1 3.15Å; F628-R656 VanDerWaalsContact CE2-O 3.29Å; F628-R656 WeakPolarHBondContact CE2-O 3.42Å; F628-R656 HydrophobicContact CZ-CB 4.31Å; A651-R656 VanDerWaalsContact CA-NH2 3.34Å; D654-R656 PolarHBondContact O-N 3.15Å; D654-R656 VanDerWaalsContact O-N 3.14Å; D654-R656 WeakPolarHBondContact OD1-CB 3.25Å; D654-R656 WeakPolarHBondContact OD1-CG 3.23Å; D654-R656 IonicContact OD1-CZ 3.36Å; D654-R656 PolarHBondContact OD1-N 3.36Å; D654-R656 IonicContact OD1-NE 3.58Å; D654-R656 PolarHBondContact OD1-NE 2.99Å; D654-R656 VanDerWaalsContact OD1-NE 3.09Å; D654-R656 IonicContact OD1-NH2 3.69Å; D654-R656 IonicContact OD2-CZ 3.6Å; D654-R656 IonicContact OD2-NE 2.66Å; D654-R656 PolarHBondContact OD2-NE 3.49Å; D654-R656 IonicContact OD2-NH2 3.27Å; D654-R656 PolarHBondContact OD2-NH2 3.28Å |
| 657 | G | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -103.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A651 D654 H659 S660 | A651-G657 PolarHBondContact O-N 2.96Å; A651-G657 VanDerWaalsContact O-N 3.17Å; D654-G657 PolarHBondContact O-N 2.99Å; G657-H659 PolarHBondContact O-N 3.09Å; G657-S660 WeakPolarHBondContact O-CB 3.41Å; G657-S660 PolarHBondContact O-N 2.77Å |
| 658 | L | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.4 | -175.9 | -73.7 | 174 | 0 | 0 | 0 | 113.8 | F652 K666 C669 A670 I673 F695 L698 L744 | F652-L658 WeakPolarHBondContact O-CB 3.43Å; F652-L658 VanDerWaalsContact O-CG 3.25Å; F652-L658 WeakPolarHBondContact O-CG 3.37Å; F652-L658 PolarHBondContact O-N 3.31Å; L658-K666 WeakPolarHBondContact O-CE 3.23Å; L658-K666 WeakPolarHBondContact O-CG 3.16Å; L658-C669 HydrophobicContact CD2-CB 4.1Å; L658-C669 HydrophobicContact CG-CB 4.35Å; L658-A670 HydrophobicContact CD2-CB 3.95Å; L658-I673 HydrophobicContact CD1-CD1 3.86Å; L658-I673 HydrophobicContact CD1-CG2 4.48Å; L658-F695 HydrophobicContact CD1-CD1 4.21Å; L658-F695 HydrophobicContact CD1-CE1 3.83Å; L658-L698 HydrophobicContact CB-CD1 3.87Å; L658-L698 HydrophobicContact CD1-CD1 4.02Å; L658-L698 HydrophobicContact CD2-CD1 4.42Å; L658-L698 HydrophobicContact CG-CD1 4.34Å; L658-L744 HydrophobicContact CD1-CD2 4.11Å; L658-L744 HydrophobicContact CD2-CD2 4.17Å |
| 659 | H | 90.5 | Very high | 90.2 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 29% | 0.292 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 17.5 | 174.8 | -62.1 | 87.5 | 0 | 0 | 0 | 112.8 | V653 D654 G657 D697 | V653-H659 PolarHBondContact O-CE1 3.2Å; V653-H659 PolarHBondContact O-ND1 2.73Å; D654-H659 WeakPolarHBondContact O-CB 3.28Å; D654-H659 PolarHBondContact O-N 2.82Å; G657-H659 PolarHBondContact O-N 3.09Å; H659-D697 IonicContact CD2-OD2 2.92Å; H659-D697 IonicContact NE2-OD1 3.08Å; H659-D697 IonicContact NE2-OD2 3.36Å; H659-D697 PolarHBondContact NE2-OD2 3.33Å; H659-D697 VanDerWaalsContact NE2-OD2 3.12Å |
| 660 | S | 89.8 | Confident | 90.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | trans | -58.6 | 144.2 | -179.2 | -176.9 | 0 | 0 | 0 | 0 | 113.5 | D655 G657 W662 K666 | D655-S660 VanDerWaalsContact O-CA 3.26Å; D655-S660 WeakPolarHBondContact O-CA 3.46Å; G657-S660 WeakPolarHBondContact O-CB 3.41Å; G657-S660 PolarHBondContact O-N 2.77Å; S660-W662 PolarHBondContact O-N 3.31Å; S660-W662 PolarHBondContact OG-N 2.92Å; S660-K666 VanDerWaalsContact O-CD 3.23Å; S660-K666 WeakPolarHBondContact O-CD 3.47Å; S660-K666 WeakPolarHBondContact O-CE 3.33Å; S660-K666 WeakPolarHBondContact O-CG 3.32Å; S660-K666 PolarHBondContact O-NZ 3.08Å | ||
| 661 | P | 87 | Confident | 90.2 | Very high | 106 Ų | 106 | 35.9 Ų | 35.9 | 69% | 0.688 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -60.4 | -25.4 | 168.8 | 26 | -35.3 | 0 | 0 | 0 | 112.1 | ||
| 662 | W | 87.7 | Confident | 90.4 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 28% | 0.277 | 18% | 0.175 | S | C | . | . | trans | -87.9 | 116 | 179.8 | -55.2 | -56.2 | 0 | 0 | 0 | 111.5 | E621 Q624 S660 S664 V665 K666 | E621-W662 HydrophobicContact CB-CD2 4.06Å; E621-W662 HydrophobicContact CB-CE3 4.48Å; E621-W662 HydrophobicContact CB-CG 4.11Å; E621-W662 HydrophobicContact CG-CB 4.12Å; E621-W662 HydrophobicContact CG-CG 4.17Å; Q624-W662 HydrophobicContact CB-CE3 4.28Å; Q624-W662 HydrophobicContact CB-CZ3 3.81Å; Q624-W662 HydrophobicContact CG-CE3 4.44Å; Q624-W662 HydrophobicContact CG-CZ3 4.06Å; S660-W662 PolarHBondContact O-N 3.31Å; S660-W662 PolarHBondContact OG-N 2.92Å; W662-S664 VanDerWaalsContact C-N 3.31Å; W662-S664 PolarHBondContact O-N 3.25Å; W662-V665 HydrophobicContact CB-CB 4.18Å; W662-V665 HydrophobicContact CB-CG2 3.92Å; W662-V665 HydrophobicContact CE3-CG2 4Å; W662-V665 PolarHBondContact O-N 3.08Å; W662-K666 PolarHBondContact O-N 3.19Å; W662-K666 VanDerWaalsContact O-N 3.09Å | ||
| 663 | H | 84 | Confident | 90.4 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 34% | 0.338 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.7 | -36.6 | -178.3 | 178.5 | -96.5 | 0 | 0 | 0 | 113.3 | K666 I667 | H663-K666 WeakPolarHBondContact O-CB 3.4Å; H663-K666 PolarHBondContact O-N 3.26Å; H663-I667 WeakPolarHBondContact CE1-CD1 3.42Å; H663-I667 WeakPolarHBondContact ND1-CD1 3.48Å; H663-I667 WeakPolarHBondContact O-CG1 3.46Å; H663-I667 PolarHBondContact O-N 3.42Å |
| 664 | S | 85.8 | Confident | 90.5 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 175.4 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | E621 W662 R668 | E621-S664 VanDerWaalsContact CG-OG 3.26Å; E621-S664 WeakPolarHBondContact CG-OG 3.37Å; E621-S664 VanDerWaalsContact OE1-CB 3.29Å; E621-S664 WeakPolarHBondContact OE1-CB 3.41Å; E621-S664 PolarHBondContact OE1-OG 3.47Å; W662-S664 VanDerWaalsContact C-N 3.31Å; W662-S664 PolarHBondContact O-N 3.25Å; S664-R668 WeakPolarHBondContact O-CB 3.49Å; S664-R668 PolarHBondContact O-N 3.23Å |
| 665 | V | 90.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 110 | E621 Q624 F628 W662 I667 R668 C669 | E621-V665 HydrophobicContact CG-CG2 4.15Å; Q624-V665 HydrophobicContact CB-CG2 4.34Å; Q624-V665 HydrophobicContact CG-CG1 4.11Å; Q624-V665 HydrophobicContact CG-CG2 4.41Å; F628-V665 HydrophobicContact CD2-CG1 4.33Å; F628-V665 HydrophobicContact CE2-CG1 4.04Å; W662-V665 HydrophobicContact CB-CB 4.18Å; W662-V665 HydrophobicContact CB-CG2 3.92Å; W662-V665 HydrophobicContact CE3-CG2 4Å; W662-V665 PolarHBondContact O-N 3.08Å; V665-I667 PolarHBondContact O-N 3.43Å; V665-R668 PolarHBondContact O-N 3.01Å; V665-C669 VanDerWaalsContact O-CB 3.24Å; V665-C669 WeakPolarHBondContact O-CB 3.32Å; V665-C669 PolarHBondContact O-N 2.94Å; V665-C669 PolarHBondContact O-SG 2.9Å |
| 666 | K | 90.7 | Very high | 90.7 | Very high | 46 Ų | 46 | 36.1 Ų | 36.1 | 20% | 0.2 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.1 | -52.7 | 176.2 | -70.2 | -179.9 | 147.9 | 145.8 | 0 | 112.6 | L658 S660 W662 H663 R668 C669 A670 L736 | L658-K666 WeakPolarHBondContact O-CE 3.23Å; L658-K666 WeakPolarHBondContact O-CG 3.16Å; S660-K666 VanDerWaalsContact O-CD 3.23Å; S660-K666 WeakPolarHBondContact O-CD 3.47Å; S660-K666 WeakPolarHBondContact O-CE 3.33Å; S660-K666 WeakPolarHBondContact O-CG 3.32Å; S660-K666 PolarHBondContact O-NZ 3.08Å; W662-K666 PolarHBondContact O-N 3.19Å; W662-K666 VanDerWaalsContact O-N 3.09Å; H663-K666 WeakPolarHBondContact O-CB 3.4Å; H663-K666 PolarHBondContact O-N 3.26Å; K666-R668 VanDerWaalsContact C-N 3.32Å; K666-R668 PolarHBondContact O-N 3.02Å; K666-C669 PolarHBondContact O-N 3.32Å; K666-A670 PolarHBondContact O-N 2.77Å; K666-A670 VanDerWaalsContact O-N 3.1Å; K666-L736 HydrophobicContact CB-CD2 4.19Å |
| 667 | I | 88.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 34.8 Ų | 34.8 | 27% | 0.272 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.4 | -48.3 | 179.1 | -74.1 | 177.3 | 0 | 0 | 0 | 110.4 | H663 V665 A670 E740 | H663-I667 WeakPolarHBondContact CE1-CD1 3.42Å; H663-I667 WeakPolarHBondContact ND1-CD1 3.48Å; H663-I667 WeakPolarHBondContact O-CG1 3.46Å; H663-I667 PolarHBondContact O-N 3.42Å; V665-I667 PolarHBondContact O-N 3.43Å; I667-A670 PolarHBondContact O-N 3.01Å; I667-E740 HydrophobicContact CB-CG 4.06Å; I667-E740 HydrophobicContact CG1-CG 3.98Å; I667-E740 HydrophobicContact CG2-CG 3.8Å |
| 668 | R | 92.3 | Very high | 90.6 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 33% | 0.328 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.4 | -40.6 | -176.2 | -170.5 | 60 | 178.3 | -179.8 | -3.5 | 112 | L625 E629 S664 V665 K666 A670 Y671 L672 | L625-R668 HydrophobicContact CD1-CB 3.61Å; L625-R668 HydrophobicContact CD1-CG 3.74Å; L625-R668 HydrophobicContact CG-CG 4.2Å; E629-R668 IonicContact OE1-CZ 2.76Å; E629-R668 IonicContact OE1-NE 2.68Å; E629-R668 PolarHBondContact OE1-NE 3.39Å; E629-R668 IonicContact OE1-NH2 2.86Å; E629-R668 PolarHBondContact OE1-NH2 3.36Å; E629-R668 IonicContact OE2-NH2 3.85Å; S664-R668 WeakPolarHBondContact O-CB 3.49Å; S664-R668 PolarHBondContact O-N 3.23Å; V665-R668 PolarHBondContact O-N 3.01Å; K666-R668 VanDerWaalsContact C-N 3.32Å; K666-R668 PolarHBondContact O-N 3.02Å; R668-A670 VanDerWaalsContact C-N 3.29Å; R668-A670 PolarHBondContact O-N 2.89Å; R668-Y671 WeakPolarHBondContact O-CB 3.28Å; R668-Y671 PolarHBondContact O-N 2.95Å; R668-Y671 VanDerWaalsContact O-N 3.14Å; R668-L672 HydrophobicContact CG-CD1 3.86Å; R668-L672 HydrophobicContact CG-CG 4.15Å; R668-L672 WeakPolarHBondContact O-CG 3.41Å; R668-L672 PolarHBondContact O-N 3.25Å |
| 669 | C | 94.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 176.4 | -74.9 | 0 | 0 | 0 | 0 | 112.3 | F628 F652 L658 V665 K666 Y671 L672 I673 | F628-C669 WeakPolarHBondContact CD2-SG 3.31Å; F628-C669 WeakPolarHBondContact CE2-SG 3.49Å; F652-C669 HydrophobicContact CD1-CB 4.3Å; L658-C669 HydrophobicContact CD2-CB 4.1Å; L658-C669 HydrophobicContact CG-CB 4.35Å; V665-C669 VanDerWaalsContact O-CB 3.24Å; V665-C669 WeakPolarHBondContact O-CB 3.32Å; V665-C669 PolarHBondContact O-N 2.94Å; V665-C669 PolarHBondContact O-SG 2.9Å; K666-C669 PolarHBondContact O-N 3.32Å; C669-Y671 VanDerWaalsContact C-N 3.28Å; C669-Y671 PolarHBondContact O-N 3.45Å; C669-L672 PolarHBondContact O-N 3.33Å; C669-I673 WeakPolarHBondContact O-CB 3.38Å; C669-I673 VanDerWaalsContact O-CG2 3.26Å; C669-I673 WeakPolarHBondContact O-CG2 3.45Å; C669-I673 PolarHBondContact O-N 3.26Å |
| 670 | A | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -37.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | L658 K666 I667 R668 I673 L736 E740 F743 L744 | L658-A670 HydrophobicContact CD2-CB 3.95Å; K666-A670 PolarHBondContact O-N 2.77Å; K666-A670 VanDerWaalsContact O-N 3.1Å; I667-A670 PolarHBondContact O-N 3.01Å; R668-A670 VanDerWaalsContact C-N 3.29Å; R668-A670 PolarHBondContact O-N 2.89Å; A670-I673 WeakPolarHBondContact O-CG2 3.36Å; A670-L736 HydrophobicContact CB-CD1 4.46Å; A670-L736 HydrophobicContact CB-CD2 4.43Å; A670-E740 HydrophobicContact CB-CB 3.78Å; A670-E740 HydrophobicContact CB-CG 4.24Å; A670-F743 VanDerWaalsContact O-CB 3.23Å; A670-F743 WeakPolarHBondContact O-CB 3.34Å; A670-L744 HydrophobicContact CB-CD2 4.33Å; A670-L744 HydrophobicContact CB-CG 4.33Å |
| 671 | Y | 92.9 | Very high | 90.4 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -74.1 | -45.8 | 172.7 | 169.2 | -108.8 | 0 | 0 | 0 | 112.7 | R668 C669 N674 R675 F743 | R668-Y671 WeakPolarHBondContact O-CB 3.28Å; R668-Y671 PolarHBondContact O-N 2.95Å; R668-Y671 VanDerWaalsContact O-N 3.14Å; C669-Y671 VanDerWaalsContact C-N 3.28Å; C669-Y671 PolarHBondContact O-N 3.45Å; Y671-N674 PolarHBondContact O-N 3.3Å; Y671-R675 PolarHBondContact O-N 3.38Å; Y671-F743 HydrophobicContact CD2-CD1 4.15Å; Y671-F743 HydrophobicContact CD2-CD2 4.23Å; Y671-F743 AromaticContact CD2-CE1 3.73Å; Y671-F743 HydrophobicContact CD2-CE1 3.73Å; Y671-F743 AromaticContact CD2-CE2 3.84Å; Y671-F743 HydrophobicContact CD2-CE2 3.84Å; Y671-F743 HydrophobicContact CD2-CG 4.4Å; Y671-F743 AromaticContact CD2-CZ 3.57Å; Y671-F743 HydrophobicContact CD2-CZ 3.57Å; Y671-F743 HydrophobicContact CE2-CE1 4.3Å; Y671-F743 HydrophobicContact CE2-CZ 4.29Å; Y671-F743 HydrophobicContact CG-CE2 4.27Å; Y671-F743 HydrophobicContact CG-CZ 4.41Å |
| 672 | L | 95 | Very high | 90.3 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | -174.5 | -71.1 | -179.1 | 0 | 0 | 0 | 112.5 | F628 E629 V632 F652 R668 C669 N674 R675 M676 | F628-L672 HydrophobicContact CB-CD1 3.63Å; E629-L672 HydrophobicContact CG-CD1 4.35Å; V632-L672 HydrophobicContact CB-CD2 4.13Å; V632-L672 HydrophobicContact CG1-CD2 4.22Å; V632-L672 HydrophobicContact CG2-CB 3.75Å; V632-L672 HydrophobicContact CG2-CD1 4.48Å; V632-L672 HydrophobicContact CG2-CD2 3.91Å; V632-L672 HydrophobicContact CG2-CG 4.24Å; F652-L672 HydrophobicContact CE1-CB 3.68Å; F652-L672 HydrophobicContact CZ-CB 4.16Å; R668-L672 HydrophobicContact CG-CD1 3.86Å; R668-L672 HydrophobicContact CG-CG 4.15Å; R668-L672 WeakPolarHBondContact O-CG 3.41Å; R668-L672 PolarHBondContact O-N 3.25Å; C669-L672 PolarHBondContact O-N 3.33Å; L672-N674 VanDerWaalsContact C-N 3.31Å; L672-N674 PolarHBondContact O-N 3.08Å; L672-R675 WeakPolarHBondContact O-CB 3.48Å; L672-R675 PolarHBondContact O-N 3Å; L672-R675 VanDerWaalsContact O-N 3.1Å; L672-M676 PolarHBondContact O-N 2.82Å; L672-M676 VanDerWaalsContact O-N 3.1Å |
| 673 | I | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -37 | 178.5 | -160.8 | 179.6 | 0 | 0 | 0 | 111.9 | M649 F652 V653 L658 C669 A670 R675 M676 I677 F695 L744 | M649-I673 HydrophobicContact CE-CD1 4.13Å; M649-I673 HydrophobicContact CE-CG1 3.92Å; F652-I673 HydrophobicContact CB-CD1 3.94Å; F652-I673 HydrophobicContact CB-CG1 4.12Å; F652-I673 HydrophobicContact CD1-CB 4Å; F652-I673 HydrophobicContact CD1-CG1 4.38Å; F652-I673 HydrophobicContact CG-CB 4.37Å; F652-I673 HydrophobicContact CG-CG1 4.25Å; V653-I673 HydrophobicContact CG2-CD1 3.79Å; L658-I673 HydrophobicContact CD1-CD1 3.86Å; L658-I673 HydrophobicContact CD1-CG2 4.48Å; C669-I673 WeakPolarHBondContact O-CB 3.38Å; C669-I673 VanDerWaalsContact O-CG2 3.26Å; C669-I673 WeakPolarHBondContact O-CG2 3.45Å; C669-I673 PolarHBondContact O-N 3.26Å; A670-I673 WeakPolarHBondContact O-CG2 3.36Å; I673-R675 VanDerWaalsContact C-N 3.29Å; I673-R675 PolarHBondContact O-N 3.34Å; I673-M676 PolarHBondContact O-N 3.34Å; I673-I677 HydrophobicContact CD1-CD1 4.35Å; I673-I677 HydrophobicContact CG1-CD1 3.96Å; I673-I677 HydrophobicContact CG1-CG1 4.46Å; I673-I677 WeakPolarHBondContact O-CB 3.12Å; I673-I677 WeakPolarHBondContact O-CG1 3.22Å; I673-I677 PolarHBondContact O-N 3.32Å; I673-F695 HydrophobicContact CD1-CE1 3.77Å; I673-F695 HydrophobicContact CD1-CZ 3.76Å; I673-L744 HydrophobicContact CG2-CD2 3.83Å |
| 674 | N | 91.8 | Very high | 90.5 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.053 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 174.9 | 178.7 | 27 | 0 | 0 | 0 | 111.4 | Y671 L672 K678 F743 A747 Q750 | Y671-N674 PolarHBondContact O-N 3.3Å; L672-N674 VanDerWaalsContact C-N 3.31Å; L672-N674 PolarHBondContact O-N 3.08Å; N674-K678 WeakPolarHBondContact O-CB 3.09Å; N674-K678 PolarHBondContact O-N 3.42Å; N674-F743 HydrophobicContact CB-CB 4.16Å; N674-A747 HydrophobicContact CB-CB 4.08Å; N674-Q750 PolarHBondContact O-OE1 2.98Å; N674-Q750 PolarHBondContact OD1-NE2 3.36Å |
| 675 | R | 92.1 | Very high | 90.5 | Very high | 107 Ų | 107 | 40.4 Ų | 40.4 | 40% | 0.404 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.2 | -45.7 | 175.2 | -65.9 | -174.6 | 69.2 | -176.8 | 2 | 112 | V632 Y671 L672 I673 I677 K678 S679 | V632-R675 HydrophobicContact CG1-CB 3.82Å; Y671-R675 PolarHBondContact O-N 3.38Å; L672-R675 WeakPolarHBondContact O-CB 3.48Å; L672-R675 PolarHBondContact O-N 3Å; L672-R675 VanDerWaalsContact O-N 3.1Å; I673-R675 VanDerWaalsContact C-N 3.29Å; I673-R675 PolarHBondContact O-N 3.34Å; R675-I677 PolarHBondContact O-N 3.36Å; R675-K678 WeakPolarHBondContact O-CB 3.35Å; R675-K678 PolarHBondContact O-N 3.43Å; R675-S679 PolarHBondContact O-N 3.45Å; R675-S679 PolarHBondContact O-OG 3.49Å |
| 676 | M | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 177.8 | -74 | -61.5 | -70.6 | 0 | 0 | 112.3 | V632 E635 F638 L645 M649 F652 L672 I673 K678 S679 H680 | V632-M676 HydrophobicContact CB-CG 4.4Å; V632-M676 HydrophobicContact CB-SD 4.21Å; V632-M676 HydrophobicContact CG1-SD 4.47Å; V632-M676 HydrophobicContact CG2-CG 3.53Å; V632-M676 HydrophobicContact CG2-SD 3.89Å; E635-M676 HydrophobicContact CB-CE 4.42Å; E635-M676 HydrophobicContact CB-SD 3.71Å; F638-M676 HydrophobicContact CD2-CE 3.59Å; F638-M676 HydrophobicContact CE2-CE 3.45Å; F638-M676 VanDerWaalsContact CE2-CE 3.45Å; F638-M676 HydrophobicContact CZ-CE 4.39Å; L645-M676 HydrophobicContact CD1-CE 3.89Å; M649-M676 HydrophobicContact SD-CB 4.21Å; F652-M676 HydrophobicContact CE2-CG 4Å; F652-M676 HydrophobicContact CZ-CG 4.17Å; L672-M676 PolarHBondContact O-N 2.82Å; L672-M676 VanDerWaalsContact O-N 3.1Å; I673-M676 PolarHBondContact O-N 3.34Å; M676-K678 VanDerWaalsContact C-N 3.34Å; M676-K678 PolarHBondContact O-N 2.97Å; M676-S679 PolarHBondContact O-N 3.5Å; M676-H680 PolarHBondContact O-N 2.92Å |
| 677 | I | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 177.2 | -75.2 | 168.7 | 0 | 0 | 0 | 110.6 | M649 I673 R675 S679 H680 K681 L684 F695 A747 Q750 L751 | M649-I677 HydrophobicContact CE-CD1 4.19Å; M649-I677 HydrophobicContact CE-CG1 3.9Å; I673-I677 HydrophobicContact CD1-CD1 4.35Å; I673-I677 HydrophobicContact CG1-CD1 3.96Å; I673-I677 HydrophobicContact CG1-CG1 4.46Å; I673-I677 WeakPolarHBondContact O-CB 3.12Å; I673-I677 WeakPolarHBondContact O-CG1 3.22Å; I673-I677 PolarHBondContact O-N 3.32Å; R675-I677 PolarHBondContact O-N 3.36Å; I677-S679 PolarHBondContact O-N 3.07Å; I677-H680 PolarHBondContact O-N 3.49Å; I677-K681 WeakPolarHBondContact O-CA 3.47Å; I677-K681 WeakPolarHBondContact O-CB 3.38Å; I677-K681 PolarHBondContact O-N 3.02Å; I677-L684 HydrophobicContact CB-CD1 4.49Å; I677-L684 HydrophobicContact CG1-CD1 3.89Å; I677-F695 HydrophobicContact CD1-CE2 4.33Å; I677-F695 HydrophobicContact CD1-CZ 4.03Å; I677-A747 HydrophobicContact CD1-CB 3.84Å; I677-Q750 HydrophobicContact CG2-CB 4.06Å; I677-L751 HydrophobicContact CD1-CD1 4.13Å; I677-L751 HydrophobicContact CG2-CD1 4.46Å; I677-L751 HydrophobicContact CG2-CD2 3.79Å; I677-L751 HydrophobicContact CG2-CG 3.7Å |
| 678 | K | 88.6 | Confident | 90 | Very high | 101 Ų | 101 | 44 Ų | 44 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -55.5 | -39.1 | 179.2 | -167.6 | 172.8 | 178.1 | 171.9 | 0 | 113 | N674 R675 M676 Q750 | N674-K678 WeakPolarHBondContact O-CB 3.09Å; N674-K678 PolarHBondContact O-N 3.42Å; R675-K678 WeakPolarHBondContact O-CB 3.35Å; R675-K678 PolarHBondContact O-N 3.43Å; M676-K678 VanDerWaalsContact C-N 3.34Å; M676-K678 PolarHBondContact O-N 2.97Å; K678-Q750 VanDerWaalsContact N-OE1 3.1Å |
| 679 | S | 88.4 | Confident | 89.7 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 43% | 0.427 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -83.7 | -33.7 | -176.3 | -65.4 | 0 | 0 | 0 | 0 | 113.4 | E635 R675 M676 I677 | E635-S679 WeakPolarHBondContact OE1-CB 3.36Å; E635-S679 PolarHBondContact OE1-OG 3.37Å; E635-S679 WeakPolarHBondContact OE2-CB 3.5Å; E635-S679 PolarHBondContact OE2-OG 3.39Å; R675-S679 PolarHBondContact O-N 3.45Å; R675-S679 PolarHBondContact O-OG 3.49Å; M676-S679 PolarHBondContact O-N 3.5Å; I677-S679 PolarHBondContact O-N 3.07Å |
| 680 | H | 90 | Very high | 89.4 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -115.2 | 18 | -174.5 | -62.9 | -70 | 0 | 0 | 0 | 115.2 | E635 S639 L645 M676 I677 K682 T683 L684 | E635-H680 PolarHBondContact O-CE1 3.47Å; E635-H680 PolarHBondContact O-NE2 3.41Å; S639-H680 PolarHBondContact OG-CE1 2.97Å; L645-H680 HydrophobicContact CD1-CB 4.46Å; L645-H680 HydrophobicContact CD2-CB 3.75Å; M676-H680 PolarHBondContact O-N 2.92Å; I677-H680 PolarHBondContact O-N 3.49Å; H680-K682 PolarHBondContact O-N 3.37Å; H680-T683 PolarHBondContact O-N 3.05Å; H680-L684 HydrophobicContact CB-CD1 4.44Å; H680-L684 PolarHBondContact O-N 3.31Å |
| 681 | K | 87.1 | Confident | 89.3 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 17% | 0.17 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -48.5 | -30 | -178.7 | 65 | -172.9 | -175.2 | 175.3 | 0 | 115.8 | I677 L685 A754 | I677-K681 WeakPolarHBondContact O-CA 3.47Å; I677-K681 WeakPolarHBondContact O-CB 3.38Å; I677-K681 PolarHBondContact O-N 3.02Å; K681-L685 PolarHBondContact O-N 3.37Å; K681-L685 VanDerWaalsContact O-N 3.17Å; K681-A754 HydrophobicContact CB-CB 3.93Å; K681-A754 HydrophobicContact CD-CB 4.04Å; K681-A754 HydrophobicContact CG-CB 4.02Å |
| 682 | K | 84.9 | Confident | 89.1 | Confident | 163 Ų | 163 | 47.7 Ų | 47.7 | 71% | 0.709 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68.4 | -42.2 | 177.6 | -68.3 | -174.1 | 177.8 | -173.8 | 0 | 112.4 | H680 | H680-K682 PolarHBondContact O-N 3.37Å |
| 683 | T | 87.6 | Confident | 88.7 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 41% | 0.405 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -74.9 | -32.6 | -179.2 | -46.9 | 0 | 0 | 0 | 0 | 111 | P642 L645 H680 P686 | P642-T683 HydrophobicContact CB-CG2 4.35Å; L645-T683 HydrophobicContact CD2-CG2 3.9Å; H680-T683 PolarHBondContact O-N 3.05Å; T683-P686 VanDerWaalsContact O-CD 3.32Å; T683-P686 WeakPolarHBondContact O-CD 3.27Å |
| 684 | L | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -83.2 | -11.3 | -179.5 | -61 | 173.8 | 0 | 0 | 0 | 113.9 | L645 L646 M649 I677 H680 H687 Y691 L751 | L645-L684 HydrophobicContact CD2-CD2 4.02Å; L645-L684 HydrophobicContact CD2-CG 4.3Å; L645-L684 HydrophobicContact CG-CD2 4.28Å; L646-L684 HydrophobicContact CD2-CD2 4.33Å; M649-L684 HydrophobicContact CE-CD1 4.05Å; M649-L684 HydrophobicContact CG-CD2 3.96Å; M649-L684 HydrophobicContact SD-CD1 4.3Å; I677-L684 HydrophobicContact CB-CD1 4.49Å; I677-L684 HydrophobicContact CG1-CD1 3.89Å; H680-L684 HydrophobicContact CB-CD1 4.44Å; H680-L684 PolarHBondContact O-N 3.31Å; L684-H687 PolarHBondContact O-N 3.45Å; L684-Y691 HydrophobicContact CB-CE2 4.4Å; L684-Y691 HydrophobicContact CD2-CE2 3.95Å; L684-L751 HydrophobicContact CB-CD2 3.83Å |
| 685 | L | 85.5 | Confident | 88.3 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -51 | -43.8 | -177.3 | -176 | 67 | 0 | 0 | 0 | 114 | K681 H687 T688 A754 | K681-L685 PolarHBondContact O-N 3.37Å; K681-L685 VanDerWaalsContact O-N 3.17Å; L685-H687 PolarHBondContact O-N 3.4Å; L685-H687 VanDerWaalsContact O-N 3.16Å; L685-T688 WeakPolarHBondContact O-CB 3.47Å; L685-T688 PolarHBondContact O-N 3.43Å; L685-T688 PolarHBondContact O-OG1 3.05Å; L685-A754 HydrophobicContact CD1-CB 4.25Å |
| 686 | P | 85.6 | Confident | 87.9 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.3 | 179.4 | -22 | 34.9 | 0 | 0 | 0 | 114.3 | T683 | T683-P686 VanDerWaalsContact O-CD 3.32Å; T683-P686 WeakPolarHBondContact O-CD 3.27Å |
| 687 | H | 86.6 | Confident | 87.5 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -104.1 | 14.2 | -176.6 | -63.4 | -85.2 | 0 | 0 | 0 | 112.6 | L684 L685 E689 E690 Y691 | L684-H687 PolarHBondContact O-N 3.45Å; L685-H687 PolarHBondContact O-N 3.4Å; L685-H687 VanDerWaalsContact O-N 3.16Å; H687-E689 PolarHBondContact O-N 3.42Å; H687-E690 IonicContact CG-OE2 3.5Å; H687-E690 IonicContact ND1-OE2 2.76Å; H687-E690 PolarHBondContact ND1-OE2 2.83Å; H687-E690 VanDerWaalsContact ND1-OE2 3.11Å; H687-E690 WeakPolarHBondContact O-CB 3.47Å; H687-E690 PolarHBondContact O-N 2.95Å; H687-E690 VanDerWaalsContact O-N 3.16Å; H687-Y691 HydrophobicContact CB-CD2 3.89Å; H687-Y691 HydrophobicContact CB-CE2 3.51Å; H687-Y691 WeakPolarHBondContact O-CD2 3.42Å; H687-Y691 PolarHBondContact O-N 2.79Å |
| 688 | T | 86.2 | Confident | 87.2 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.1 | -49.3 | -174.9 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | L685 E690 Y691 L692 L751 I752 | L685-T688 WeakPolarHBondContact O-CB 3.47Å; L685-T688 PolarHBondContact O-N 3.43Å; L685-T688 PolarHBondContact O-OG1 3.05Å; T688-E690 VanDerWaalsContact C-N 3.31Å; T688-E690 PolarHBondContact O-N 2.66Å; T688-Y691 PolarHBondContact O-N 3.45Å; T688-L692 HydrophobicContact CG2-CD1 3.88Å; T688-L692 HydrophobicContact CG2-CG 4.3Å; T688-L692 VanDerWaalsContact O-CG 3.25Å; T688-L692 WeakPolarHBondContact O-CG 3.46Å; T688-L692 PolarHBondContact O-N 3.34Å; T688-L751 HydrophobicContact CG2-CB 3.84Å; T688-I752 HydrophobicContact CG2-CG1 4.49Å |
| 689 | E | 86.1 | Confident | 86.9 | Confident | 111 Ų | 111 | 54.8 Ų | 54.8 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | -178.9 | -63 | -172.8 | 177.4 | 0 | 0 | 112.4 | H687 L692 S693 R772 | H687-E689 PolarHBondContact O-N 3.42Å; E689-L692 PolarHBondContact O-N 3.33Å; E689-S693 WeakPolarHBondContact O-CB 3.24Å; E689-S693 PolarHBondContact O-N 3.33Å; E689-R772 IonicContact OE1-CZ 2.83Å; E689-R772 IonicContact OE1-NE 2.72Å; E689-R772 IonicContact OE1-NH2 3.67Å; E689-R772 PolarHBondContact OE1-NH2 2.97Å |
| 690 | E | 88.7 | Confident | 86.3 | Confident | 81 Ų | 81 | 59.1 Ų | 59.1 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 175.8 | -173.9 | -178.6 | 177.6 | 0 | 0 | 110.8 | H687 T688 L692 S693 R694 | H687-E690 IonicContact CG-OE2 3.5Å; H687-E690 IonicContact ND1-OE2 2.76Å; H687-E690 PolarHBondContact ND1-OE2 2.83Å; H687-E690 VanDerWaalsContact ND1-OE2 3.11Å; H687-E690 WeakPolarHBondContact O-CB 3.47Å; H687-E690 PolarHBondContact O-N 2.95Å; H687-E690 VanDerWaalsContact O-N 3.16Å; T688-E690 VanDerWaalsContact C-N 3.31Å; T688-E690 PolarHBondContact O-N 2.66Å; E690-L692 PolarHBondContact O-N 3.38Å; E690-S693 PolarHBondContact O-N 3.39Å; E690-S693 PolarHBondContact O-OG 3.24Å; E690-R694 WeakPolarHBondContact O-CG 3.47Å; E690-R694 PolarHBondContact O-N 3.48Å; E690-R694 VanDerWaalsContact O-N 3.13Å |
| 691 | Y | 90 | Very high | 85.6 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 4% | 0.039 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 177.2 | -68.6 | -64.3 | 0 | 0 | 0 | 112.7 | M649 V653 L684 H687 T688 S693 R694 F695 L751 | M649-Y691 HydrophobicContact CB-CE1 4.11Å; M649-Y691 WeakPolarHBondContact CB-OH 3.38Å; M649-Y691 HydrophobicContact CE-CD1 4.4Å; M649-Y691 HydrophobicContact CE-CE1 3.84Å; V653-Y691 HydrophobicContact CG2-CD1 3.96Å; V653-Y691 HydrophobicContact CG2-CE1 4.06Å; L684-Y691 HydrophobicContact CB-CE2 4.4Å; L684-Y691 HydrophobicContact CD2-CE2 3.95Å; H687-Y691 HydrophobicContact CB-CD2 3.89Å; H687-Y691 HydrophobicContact CB-CE2 3.51Å; H687-Y691 WeakPolarHBondContact O-CD2 3.42Å; H687-Y691 PolarHBondContact O-N 2.79Å; T688-Y691 PolarHBondContact O-N 3.45Å; Y691-S693 VanDerWaalsContact C-N 3.3Å; Y691-S693 PolarHBondContact O-N 3.37Å; Y691-R694 PolarHBondContact O-N 3.28Å; Y691-F695 VanDerWaalsContact O-CG 3.28Å; Y691-F695 WeakPolarHBondContact O-CG 3.46Å; Y691-F695 PolarHBondContact O-N 2.9Å; Y691-L751 HydrophobicContact CD2-CD1 4.3Å; Y691-L751 HydrophobicContact CG-CD1 4.4Å |
| 692 | L | 87.5 | Confident | 84.9 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 175.1 | -69.4 | 175.9 | 0 | 0 | 0 | 111.6 | T688 E689 E690 R694 F695 S696 A748 I752 L776 | T688-L692 HydrophobicContact CG2-CD1 3.88Å; T688-L692 HydrophobicContact CG2-CG 4.3Å; T688-L692 VanDerWaalsContact O-CG 3.25Å; T688-L692 WeakPolarHBondContact O-CG 3.46Å; T688-L692 PolarHBondContact O-N 3.34Å; E689-L692 PolarHBondContact O-N 3.33Å; E690-L692 PolarHBondContact O-N 3.38Å; L692-R694 VanDerWaalsContact C-N 3.32Å; L692-R694 PolarHBondContact O-N 3.44Å; L692-F695 PolarHBondContact O-N 3.07Å; L692-S696 PolarHBondContact O-N 3.26Å; L692-A748 HydrophobicContact CD2-CB 3.49Å; L692-A748 VanDerWaalsContact CD2-CB 3.49Å; L692-I752 HydrophobicContact CD1-CD1 4.19Å; L692-I752 HydrophobicContact CD1-CG1 4.09Å; L692-I752 HydrophobicContact CD2-CD1 4.34Å; L692-L776 HydrophobicContact CD1-CD2 4.49Å |
| 693 | S | 88.3 | Confident | 84.1 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 175.8 | 79.1 | 0 | 0 | 0 | 0 | 112 | E689 E690 Y691 F695 S696 | E689-S693 WeakPolarHBondContact O-CB 3.24Å; E689-S693 PolarHBondContact O-N 3.33Å; E690-S693 PolarHBondContact O-N 3.39Å; E690-S693 PolarHBondContact O-OG 3.24Å; Y691-S693 VanDerWaalsContact C-N 3.3Å; Y691-S693 PolarHBondContact O-N 3.37Å; S693-F695 VanDerWaalsContact C-N 3.33Å; S693-F695 PolarHBondContact O-N 3.35Å; S693-S696 WeakPolarHBondContact O-CB 3.45Å; S693-S696 PolarHBondContact O-N 3.06Å; S693-S696 PolarHBondContact O-OG 2.85Å |
| 694 | R | 87.4 | Confident | 83.2 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -77.8 | -13.7 | 179.3 | -63 | -70.2 | -165.4 | 107.7 | 9.8 | 114.6 | V653 E690 Y691 L692 | V653-R694 HydrophobicContact CG1-CB 3.33Å; V653-R694 HydrophobicContact CG1-CG 3.65Å; E690-R694 WeakPolarHBondContact O-CG 3.47Å; E690-R694 PolarHBondContact O-N 3.48Å; E690-R694 VanDerWaalsContact O-N 3.13Å; Y691-R694 PolarHBondContact O-N 3.28Å; L692-R694 VanDerWaalsContact C-N 3.32Å; L692-R694 PolarHBondContact O-N 3.44Å |
| 695 | F | 88.7 | Confident | 82 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -90.8 | -17.7 | 171.6 | -63.2 | -18.8 | 0 | 0 | 0 | 111.9 | V653 L658 I673 I677 Y691 L692 S693 D697 L698 L699 L744 A747 A748 | V653-F695 HydrophobicContact CG2-CE1 4.38Å; L658-F695 HydrophobicContact CD1-CD1 4.21Å; L658-F695 HydrophobicContact CD1-CE1 3.83Å; I673-F695 HydrophobicContact CD1-CE1 3.77Å; I673-F695 HydrophobicContact CD1-CZ 3.76Å; I677-F695 HydrophobicContact CD1-CE2 4.33Å; I677-F695 HydrophobicContact CD1-CZ 4.03Å; Y691-F695 VanDerWaalsContact O-CG 3.28Å; Y691-F695 WeakPolarHBondContact O-CG 3.46Å; Y691-F695 PolarHBondContact O-N 2.9Å; L692-F695 PolarHBondContact O-N 3.07Å; S693-F695 VanDerWaalsContact C-N 3.33Å; S693-F695 PolarHBondContact O-N 3.35Å; F695-D697 PolarHBondContact O-N 3.13Å; F695-L698 WeakPolarHBondContact O-CA 3.43Å; F695-L698 WeakPolarHBondContact O-CB 3.08Å; F695-L698 PolarHBondContact O-N 3.05Å; F695-L699 HydrophobicContact CB-CD1 3.95Å; F695-L699 HydrophobicContact CB-CG 4.32Å; F695-L699 WeakPolarHBondContact O-CG 3.41Å; F695-L699 PolarHBondContact O-N 3.07Å; F695-L699 VanDerWaalsContact O-N 3.13Å; F695-L744 HydrophobicContact CD1-CD2 4.4Å; F695-L744 HydrophobicContact CE1-CD2 4.3Å; F695-A747 HydrophobicContact CE2-CB 4.45Å; F695-A748 HydrophobicContact CD2-CB 4.43Å |
| 696 | S | 84.1 | Confident | 80.8 | Confident | 72 Ų | 72 | 61 Ų | 61 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -58.5 | -41.5 | -167.1 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | L692 S693 L698 L699 | L692-S696 PolarHBondContact O-N 3.26Å; S693-S696 WeakPolarHBondContact O-CB 3.45Å; S693-S696 PolarHBondContact O-N 3.06Å; S693-S696 PolarHBondContact O-OG 2.85Å; S696-L698 VanDerWaalsContact C-N 3.34Å; S696-L699 PolarHBondContact O-N 2.94Å |
| 697 | D | 85.4 | Confident | 79.1 | Confident | 85 Ų | 85 | 59.5 Ų | 59.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -70.6 | -29.3 | 176.7 | 60.9 | -29.6 | 0 | 0 | 0 | 112.9 | H659 F695 L699 | H659-D697 IonicContact CD2-OD2 2.92Å; H659-D697 IonicContact NE2-OD1 3.08Å; H659-D697 IonicContact NE2-OD2 3.36Å; H659-D697 PolarHBondContact NE2-OD2 3.33Å; H659-D697 VanDerWaalsContact NE2-OD2 3.12Å; F695-D697 PolarHBondContact O-N 3.13Å; D697-L699 VanDerWaalsContact C-N 3.34Å |
| 698 | L | 84.5 | Confident | 77.3 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.12 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -78.5 | -16.8 | 176.9 | -61.3 | 176.3 | 0 | 0 | 0 | 113.4 | L658 F695 S696 L736 Q741 L744 | L658-L698 HydrophobicContact CB-CD1 3.87Å; L658-L698 HydrophobicContact CD1-CD1 4.02Å; L658-L698 HydrophobicContact CD2-CD1 4.42Å; L658-L698 HydrophobicContact CG-CD1 4.34Å; F695-L698 WeakPolarHBondContact O-CA 3.43Å; F695-L698 WeakPolarHBondContact O-CB 3.08Å; F695-L698 PolarHBondContact O-N 3.05Å; S696-L698 VanDerWaalsContact C-N 3.34Å; L698-L736 HydrophobicContact CB-CD1 3.97Å; L698-L736 HydrophobicContact CD1-CD1 4.3Å; L698-L736 HydrophobicContact CD2-CD1 4.13Å; L698-L736 HydrophobicContact CG-CD1 4.36Å; L698-Q741 WeakPolarHBondContact O-CG 3.49Å; L698-Q741 PolarHBondContact O-NE2 3.2Å; L698-Q741 VanDerWaalsContact O-NE2 3.11Å; L698-L744 HydrophobicContact CB-CD1 3.8Å; L698-L744 HydrophobicContact CD1-CD1 4.01Å |
| 699 | L | 82.5 | Confident | 75.7 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 11% | 0.105 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -96.4 | 0.6 | -175.6 | -65.1 | 171.4 | 0 | 0 | 0 | 113.9 | F695 S696 D697 L701 L744 Y745 L780 | F695-L699 HydrophobicContact CB-CD1 3.95Å; F695-L699 HydrophobicContact CB-CG 4.32Å; F695-L699 WeakPolarHBondContact O-CG 3.41Å; F695-L699 PolarHBondContact O-N 3.07Å; F695-L699 VanDerWaalsContact O-N 3.13Å; S696-L699 PolarHBondContact O-N 2.94Å; D697-L699 VanDerWaalsContact C-N 3.34Å; L699-L701 PolarHBondContact O-N 3.31Å; L699-L744 HydrophobicContact CD2-CB 3.82Å; L699-Y745 HydrophobicContact CB-CE2 4.32Å; L699-Y745 HydrophobicContact CD2-CD2 3.54Å; L699-Y745 HydrophobicContact CD2-CE1 4.44Å; L699-Y745 HydrophobicContact CD2-CE2 3.46Å; L699-Y745 VanDerWaalsContact CD2-CE2 3.46Å; L699-Y745 HydrophobicContact CD2-CG 4.08Å; L699-Y745 HydrophobicContact CG-CE2 4.4Å; L699-Y745 PolarHBondContact O-OH 2.7Å; L699-L780 HydrophobicContact CD1-CD1 4.34Å |
| 700 | E | 76.8 | Confident | 74.1 | Confident | 152 Ų | 152 | 59.8 Ų | 59.8 | 71% | 0.71 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 128 | 177.3 | -67.4 | -171.5 | 174.4 | 0 | 0 | 111.5 | Q741 | E700-Q741 PolarHBondContact O-NE2 2.91Š|
| 701 | L | 75.7 | Confident | 71.9 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -95.4 | 125.2 | 179.1 | -56.5 | 172.3 | 0 | 0 | 0 | 110.3 | L699 I738 Q741 V784 V814 L817 | L699-L701 PolarHBondContact O-N 3.31Å; L701-I738 HydrophobicContact CD2-CD1 4.11Å; L701-Q741 VanDerWaalsContact CD2-OE1 3.3Å; L701-V784 HydrophobicContact CD1-CG1 4.14Å; L701-V784 HydrophobicContact CD1-CG2 4.19Å; L701-V814 HydrophobicContact CD1-CG2 4.4Å; L701-L817 HydrophobicContact CD1-CD1 4Å; L701-L817 HydrophobicContact CD2-CD1 3.34Å; L701-L817 HydrophobicContact CG-CD1 4.29Å |
| 702 | S | 71.3 | Confident | 69.3 | Low | 76 Ų | 76 | 64.2 Ų | 64.2 | 53% | 0.531 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 125.3 | 169.6 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | E704 F791 | S702-E704 VanDerWaalsContact C-N 3.27Å; S702-E704 PolarHBondContact OG-N 3.1Å; S702-E704 PolarHBondContact OG-O 3.4Å; S702-E704 VanDerWaalsContact OG-O 3.11Å; S702-F791 WeakPolarHBondContact O-CZ 3.48Å |
| 703 | L | 68.6 | Low | 66.6 | Low | 44 Ų | 44 | 71.5 Ų | 71.5 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -76.5 | -13.3 | 174 | -82.9 | 149.3 | 0 | 0 | 0 | 113.4 | Q790 F791 | L703-Q790 HydrophobicContact CD2-CB 3.98Å; L703-F791 HydrophobicContact CD2-CD1 4.44Å; L703-F791 HydrophobicContact CD2-CD2 4.05Å; L703-F791 HydrophobicContact CD2-CE1 4.28Å; L703-F791 HydrophobicContact CD2-CE2 3.85Å; L703-F791 HydrophobicContact CD2-CG 4.34Å; L703-F791 HydrophobicContact CD2-CZ 3.98Å; L703-F791 HydrophobicContact CG-CE2 4.27Å; L703-F791 HydrophobicContact CG-CZ 4.14Å |
| 704 | E | 68.9 | Low | 63.9 | Low | 103 Ų | 103 | 75 Ų | 75 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -103.4 | 136.9 | -178.9 | -65.7 | -55.3 | 141 | 0 | 0 | 110.7 | S702 K794 | S702-E704 VanDerWaalsContact C-N 3.27Å; S702-E704 PolarHBondContact OG-N 3.1Å; S702-E704 PolarHBondContact OG-O 3.4Å; S702-E704 VanDerWaalsContact OG-O 3.11Å; E704-K794 IonicContact OE1-NZ 2.77Å; E704-K794 PolarHBondContact OE1-NZ 3.5Å |
| 705 | P | 62.9 | Low | 61 | Low | 16 Ų | 16 | 77.7 Ų | 77.7 | 10% | 0.104 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -64 | 138.6 | 175.9 | 27.5 | -33.7 | 0 | 0 | 0 | 110.8 | S707 L710 V806 L810 | P705-S707 PolarHBondContact O-N 2.79Å; P705-L710 HydrophobicContact CG-CD1 4.08Å; P705-L710 HydrophobicContact CG-CG 4.44Å; P705-V806 HydrophobicContact CB-CB 4.48Å; P705-V806 HydrophobicContact CB-CG1 3.51Å; P705-L810 HydrophobicContact CB-CD1 4.27Å |
| 706 | D | 60.5 | Low | 58 | Low | 91 Ų | 91 | 80.9 Ų | 80.9 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 130.2 | 174.3 | -77.8 | -14.6 | 0 | 0 | 0 | 110.2 | S708 V709 | D706-S708 PolarHBondContact O-N 3.42Å; D706-V709 HydrophobicContact CB-CG2 4.08Å; D706-V709 WeakPolarHBondContact O-CB 3.23Å; D706-V709 PolarHBondContact O-N 2.96Å |
| 707 | S | 50.2 | Low | 55.2 | Low | 75 Ų | 75 | 85.1 Ų | 85.1 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -20.3 | -179.3 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | P705 N711 | P705-S707 PolarHBondContact O-N 2.79Å; S707-N711 PolarHBondContact O-N 3.04Å; S707-N711 PolarHBondContact O-ND2 3.27Å |
| 708 | S | 50.2 | Low | 52.3 | Low | 39 Ų | 39 | 84 Ų | 84 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.2 | -27.6 | 172.8 | 62.1 | 0 | 0 | 0 | 0 | 113.7 | D706 G712 | D706-S708 PolarHBondContact O-N 3.42Å; S708-G712 PolarHBondContact O-N 2.8Å |
| 709 | V | 52.1 | Low | 49.5 | Very low | 66 Ų | 66 | 86.2 Ų | 86.2 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -77.4 | -30.8 | 178.4 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | D706 N711 V806 | D706-V709 HydrophobicContact CB-CG2 4.08Å; D706-V709 WeakPolarHBondContact O-CB 3.23Å; D706-V709 PolarHBondContact O-N 2.96Å; V709-N711 VanDerWaalsContact C-N 3.34Å; V709-V806 HydrophobicContact CG1-CB 4.46Å; V709-V806 HydrophobicContact CG1-CG1 3.86Å; V709-V806 HydrophobicContact CG1-CG2 3.67Å |
| 710 | L | 52.3 | Low | 46.7 | Very low | 81 Ų | 81 | 95.9 Ų | 95.9 | 42% | 0.424 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.9 | -23.2 | 176 | -68.5 | 169.9 | 0 | 0 | 0 | 113.4 | P705 V803 | P705-L710 HydrophobicContact CG-CD1 4.08Å; P705-L710 HydrophobicContact CG-CG 4.44Å; L710-V803 HydrophobicContact CD2-CG2 3.95Å |
| 711 | N | 43 | Very low | 44.3 | Very low | 141 Ų | 141 | 93.8 Ų | 93.8 | 75% | 0.754 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -110.8 | 0.8 | -171.3 | -68.6 | -22.9 | 0 | 0 | 0 | 114.9 | S707 V709 | S707-N711 PolarHBondContact O-N 3.04Å; S707-N711 PolarHBondContact O-ND2 3.27Å; V709-N711 VanDerWaalsContact C-N 3.34Å |
| 712 | G | 35.4 | Very low | 41.9 | Very low | 43 Ų | 43 | 100 Ų | 100 | 44% | 0.443 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -119 | 99.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | S708 L714 | S708-G712 PolarHBondContact O-N 2.8Å; G712-L714 PolarHBondContact O-N 3.34Å; G712-L714 VanDerWaalsContact O-N 3.14Å |
| 713 | E | 30.9 | Very low | 39.6 | Very low | 186 Ų | 186 | 99.5 Ų | 99.5 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | trans | 12.3 | 81 | 154.1 | -60.3 | -178.7 | 165.7 | 0 | 0 | 117.9 | N715 | E713-N715 PolarHBondContact O-N 3.07Å; E713-N715 VanDerWaalsContact O-N 3.14Å | ||
| 714 | L | 31 | Very low | 37.5 | Very low | 140 Ų | 140 | 104 Ų | 104 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | trans | -81 | 70.7 | 154.8 | -70.2 | 167.8 | 0 | 0 | 0 | 108.9 | G712 | G712-L714 PolarHBondContact O-N 3.34Å; G712-L714 VanDerWaalsContact O-N 3.14Å | ||
| 715 | N | 25.6 | Very low | 35.5 | Very low | 158 Ų | 158 | 106.5 Ų | 106.5 | 85% | 0.845 | 65% | 0.646 | S | S | * | * | trans | -128.1 | 113.1 | 167.4 | -90.5 | -16.3 | 0 | 0 | 0 | 108.5 | E713 | E713-N715 PolarHBondContact O-N 3.07Å; E713-N715 VanDerWaalsContact O-N 3.14Å | ||
| 716 | G | 26.9 | Very low | 33.8 | Very low | 67 Ų | 67 | 110.1 Ų | 110.1 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | trans | 150.5 | 82.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G718 | G716-G718 PolarHBondContact O-N 3.42Š| ||
| 717 | N | 24.1 | Very low | 32.2 | Very low | 160 Ų | 160 | 111.4 Ų | 111.4 | 86% | 0.856 | 67% | 0.671 | S | S | * | * | -14.1 | 83.9 | 90.8 | -84.1 | 4.3 | 0 | 0 | 0 | 114.1 | |||||
| 718 | G | 26 | Very low | 31 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | trans | -168.1 | 122.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G716 | G716-G718 PolarHBondContact O-N 3.42Š| ||
| 719 | G | 24.4 | Very low | 29.9 | Very low | 68 Ų | 68 | 117 Ų | 117 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -52.6 | 148.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V721 | G719-V721 PolarHBondContact O-N 2.93Š| ||
| 720 | F | 23.8 | Very low | 28.7 | Very low | 224 Ų | 224 | 123.2 Ų | 123.2 | 98% | 0.982 | 71% | 0.71 | S | S | * | * | trans | -56.3 | 88 | 155.4 | -83.9 | -98.2 | 0 | 0 | 0 | 108.4 | ||||
| 721 | V | 26.2 | Very low | 27.5 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 65% | 0.648 | 71% | 0.714 | S | S | * | * | trans | -138.9 | 108.5 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | G719 | G719-V721 PolarHBondContact O-N 2.93Š| ||
| 722 | N | 25 | Very low | 26.8 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | 74.9 | 145.5 | 149.1 | -59.6 | -7.6 | 0 | 0 | 0 | 119.1 | ||||
| 723 | G | 23.9 | Very low | 27.2 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | trans | -58.6 | 142.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 724 | N | 24.7 | Very low | 27.9 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | -177.9 | 85.5 | 146.7 | -92.1 | -5 | 0 | 0 | 0 | 106.3 | L726 | N724-L726 HydrophobicContact CB-CD1 4.15Å; N724-L726 PolarHBondContact O-N 3.06Å | ||
| 725 | T | 27 | Very low | 29.3 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 96% | 0.957 | 70% | 0.7 | S | S | * | * | trans | -77 | 61.4 | 170.2 | -8.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 726 | L | 27.1 | Very low | 31.6 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 48% | 0.482 | 67% | 0.665 | S | S | . | * | trans | -86.9 | 119.9 | 174.7 | -91.8 | 148.1 | 0 | 0 | 0 | 109.6 | D510 N724 | D510-L726 WeakPolarHBondContact OD2-CD2 3.42Å; N724-L726 HydrophobicContact CB-CD1 4.15Å; N724-L726 PolarHBondContact O-N 3.06Å | ||
| 727 | N | 25.8 | Very low | 33.9 | Very low | 118 Ų | 118 | 109.6 Ų | 109.6 | 63% | 0.631 | 65% | 0.648 | S | S | * | * | trans | 65.9 | 74.9 | 146.4 | -62.2 | -30.3 | 0 | 0 | 0 | 119.3 | V729 | N727-V729 VanDerWaalsContact C-N 3.32Å; N727-V729 HydrophobicContact CB-CG2 4.28Å | ||
| 728 | F | 26 | Very low | 36.4 | Very low | 137 Ų | 137 | 103.6 Ų | 103.6 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | trans | -95.8 | 67.1 | 145.2 | -156.6 | -94.3 | 0 | 0 | 0 | 110 | ||||
| 729 | V | 27 | Very low | 39 | Very low | 94 Ų | 94 | 104 Ų | 104 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | trans | -72.9 | 121.8 | 173.3 | 170.5 | 0 | 0 | 0 | 0 | 108.9 | N727 | N727-V729 VanDerWaalsContact C-N 3.32Å; N727-V729 HydrophobicContact CB-CG2 4.28Å | ||
| 730 | K | 26.9 | Very low | 41.9 | Very low | 196 Ų | 196 | 102.2 Ų | 102.2 | 85% | 0.852 | 58% | 0.579 | S | S | * | * | trans | 59.3 | 82.7 | 152.6 | -63.1 | 169.3 | -174.1 | 172.1 | 0 | 117.2 | ||||
| 731 | S | 26.2 | Very low | 44.9 | Very low | 73 Ų | 73 | 92.3 Ų | 92.3 | 51% | 0.51 | 54% | 0.536 | S | S | . | . | trans | -132.9 | 135.3 | 131.9 | -173.8 | 0 | 0 | 0 | 0 | 107.7 | K733 | S731-K733 PolarHBondContact O-N 2.61Š| ||
| 732 | V | 28.6 | Very low | 47.9 | Very low | 134 Ų | 134 | 87.2 Ų | 87.2 | 81% | 0.812 | 51% | 0.505 | S | S | * | . | trans | -59.5 | 88.7 | -171.4 | 178 | 0 | 0 | 0 | 0 | 110.1 | T734 | V732-T734 HydrophobicContact CG1-CG2 4.12Å; V732-T734 PolarHBondContact O-N 3.44Å | ||
| 733 | K | 43.6 | Very low | 51 | Low | 97 Ų | 97 | 82 Ų | 82 | 42% | 0.422 | 48% | 0.475 | S | S | . | . | trans | -87.6 | 96 | 172.7 | -73.6 | -174.4 | 175.3 | -175.8 | 0 | 108.8 | S731 | S731-K733 PolarHBondContact O-N 2.61Š| ||
| 734 | T | 46.3 | Very low | 54.2 | Low | 124 Ų | 124 | 78.9 Ų | 78.9 | 76% | 0.761 | 44% | 0.443 | S | S | * | . | trans | -80.5 | -17.2 | 172.5 | 44.2 | 0 | 0 | 0 | 0 | 112.9 | V732 | V732-T734 HydrophobicContact CG1-CG2 4.12Å; V732-T734 PolarHBondContact O-N 3.44Å | ||
| 735 | G | 60.9 | Low | 57.4 | Low | 48 Ų | 48 | 72.6 Ų | 72.6 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -106.6 | 160.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 736 | L | 72.9 | Confident | 60.5 | Low | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | trans | -75.1 | 143.6 | 170.9 | -70.7 | 173.9 | 0 | 0 | 0 | 110.8 | K666 A670 L698 E740 Q741 L744 | K666-L736 HydrophobicContact CB-CD2 4.19Å; A670-L736 HydrophobicContact CB-CD1 4.46Å; A670-L736 HydrophobicContact CB-CD2 4.43Å; L698-L736 HydrophobicContact CB-CD1 3.97Å; L698-L736 HydrophobicContact CD1-CD1 4.3Å; L698-L736 HydrophobicContact CD2-CD1 4.13Å; L698-L736 HydrophobicContact CG-CD1 4.36Å; L736-E740 HydrophobicContact CB-CB 4.03Å; L736-E740 HydrophobicContact CD2-CB 3.95Å; L736-E740 HydrophobicContact CD2-CG 4.29Å; L736-E740 HydrophobicContact CG-CB 4.39Å; L736-Q741 HydrophobicContact CB-CG 4.04Å; L736-L744 HydrophobicContact CD1-CD1 3.43Å; L736-L744 VanDerWaalsContact CD1-CD1 3.43Å; L736-L744 HydrophobicContact CD1-CG 4.48Å | ||
| 737 | G | 75.1 | Confident | 63.5 | Low | 33 Ų | 33 | 61.5 Ų | 61.5 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | trans | -70.4 | 165.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T739 E740 Q741 | G737-T739 PolarHBondContact O-N 2.83Å; G737-T739 VanDerWaalsContact O-N 3.14Å; G737-E740 VanDerWaalsContact CA-OE2 3.23Å; G737-E740 WeakPolarHBondContact CA-OE2 3.29Å; G737-E740 PolarHBondContact N-OE2 3.27Å; G737-E740 PolarHBondContact O-N 3.35Å; G737-E740 VanDerWaalsContact O-N 3.15Å; G737-Q741 WeakPolarHBondContact O-CG 3.24Å; G737-Q741 PolarHBondContact O-N 3.43Å | ||
| 738 | I | 77.2 | Confident | 66.6 | Low | 35 Ų | 35 | 55.9 Ų | 55.9 | 18% | 0.179 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.8 | -30.2 | 179.1 | -162.6 | 84.4 | 0 | 0 | 0 | 113.2 | L701 G742 Q813 L817 | L701-I738 HydrophobicContact CD2-CD1 4.11Å; I738-G742 PolarHBondContact O-N 3.27Å; I738-Q813 HydrophobicContact CB-CB 4.38Å; I738-Q813 HydrophobicContact CB-CG 4.27Å; I738-Q813 HydrophobicContact CD1-CB 3.88Å; I738-Q813 HydrophobicContact CG1-CB 3.68Å; I738-Q813 HydrophobicContact CG1-CG 4.04Å; I738-Q813 HydrophobicContact CG2-CB 4.39Å; I738-Q813 HydrophobicContact CG2-CG 3.78Å; I738-L817 HydrophobicContact CD1-CD1 3.47Å; I738-L817 VanDerWaalsContact CD1-CD1 3.47Å; I738-L817 HydrophobicContact CD1-CD2 3.92Å; I738-L817 HydrophobicContact CD1-CG 3.67Å; I738-L817 HydrophobicContact CG1-CD1 4.38Å; I738-L817 HydrophobicContact CG1-CD2 3.95Å; I738-L817 HydrophobicContact CG1-CG 4.07Å |
| 739 | T | 80.4 | Confident | 69.6 | Low | 71 Ų | 71 | 49.4 Ų | 49.4 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.1 | -48 | -179.7 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | G737 G742 F743 K820 | G737-T739 PolarHBondContact O-N 2.83Å; G737-T739 VanDerWaalsContact O-N 3.14Å; T739-G742 PolarHBondContact O-N 3.35Å; T739-F743 HydrophobicContact CG2-CE2 4.05Å; T739-F743 HydrophobicContact CG2-CZ 4.46Å; T739-F743 PolarHBondContact O-N 3.43Å; T739-K820 PolarHBondContact O-NZ 3.25Å |
| 740 | E | 85.4 | Confident | 72.6 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -47.5 | 178.4 | -65.8 | 66.6 | -136.7 | 0 | 0 | 111.4 | I667 A670 L736 G737 G742 F743 L744 | I667-E740 HydrophobicContact CB-CG 4.06Å; I667-E740 HydrophobicContact CG1-CG 3.98Å; I667-E740 HydrophobicContact CG2-CG 3.8Å; A670-E740 HydrophobicContact CB-CB 3.78Å; A670-E740 HydrophobicContact CB-CG 4.24Å; L736-E740 HydrophobicContact CB-CB 4.03Å; L736-E740 HydrophobicContact CD2-CB 3.95Å; L736-E740 HydrophobicContact CD2-CG 4.29Å; L736-E740 HydrophobicContact CG-CB 4.39Å; G737-E740 VanDerWaalsContact CA-OE2 3.23Å; G737-E740 WeakPolarHBondContact CA-OE2 3.29Å; G737-E740 PolarHBondContact N-OE2 3.27Å; G737-E740 PolarHBondContact O-N 3.35Å; G737-E740 VanDerWaalsContact O-N 3.15Å; E740-G742 PolarHBondContact O-N 3.48Å; E740-F743 WeakPolarHBondContact O-CB 3.38Å; E740-F743 PolarHBondContact O-N 3.37Å; E740-L744 PolarHBondContact O-N 3.35Å; E740-L744 VanDerWaalsContact O-N 3.16Å |
| 741 | Q | 87.5 | Confident | 75.4 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54 | -42.6 | 171.9 | -72.8 | -175.5 | -27.6 | 0 | 0 | 110.5 | L698 E700 L701 L736 G737 F743 L744 Y745 L817 | L698-Q741 WeakPolarHBondContact O-CG 3.49Å; L698-Q741 PolarHBondContact O-NE2 3.2Å; L698-Q741 VanDerWaalsContact O-NE2 3.11Å; E700-Q741 PolarHBondContact O-NE2 2.91Å; L701-Q741 VanDerWaalsContact CD2-OE1 3.3Å; L736-Q741 HydrophobicContact CB-CG 4.04Å; G737-Q741 WeakPolarHBondContact O-CG 3.24Å; G737-Q741 PolarHBondContact O-N 3.43Å; Q741-F743 VanDerWaalsContact C-N 3.28Å; Q741-F743 PolarHBondContact O-N 2.72Å; Q741-L744 CarbonylContact O-C 3.38Å; Q741-L744 WeakPolarHBondContact O-CA 3.19Å; Q741-L744 WeakPolarHBondContact O-CB 3.4Å; Q741-L744 PolarHBondContact O-N 2.92Å; Q741-Y745 HydrophobicContact CB-CD2 4.48Å; Q741-Y745 VanDerWaalsContact O-CD2 3.28Å; Q741-Y745 WeakPolarHBondContact O-CD2 3.41Å; Q741-Y745 PolarHBondContact O-N 3.15Å; Q741-L817 HydrophobicContact CB-CD2 4.25Å |
| 742 | G | 87.5 | Confident | 78.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -31.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I738 T739 E740 E746 L817 K820 | I738-G742 PolarHBondContact O-N 3.27Å; T739-G742 PolarHBondContact O-N 3.35Å; E740-G742 PolarHBondContact O-N 3.48Å; G742-E746 WeakPolarHBondContact O-CB 3.23Å; G742-E746 PolarHBondContact O-N 2.97Å; G742-L817 VanDerWaalsContact CA-CD2 3.48Å; G742-K820 WeakPolarHBondContact O-CD 3.48Å |
| 743 | F | 90.5 | Very high | 80.9 | Confident | 42 Ų | 42 | 26.4 Ų | 26.4 | 18% | 0.184 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -36.8 | 171.3 | -66 | -53 | 0 | 0 | 0 | 111.7 | A670 Y671 N674 T739 E740 Q741 E746 A747 | A670-F743 VanDerWaalsContact O-CB 3.23Å; A670-F743 WeakPolarHBondContact O-CB 3.34Å; Y671-F743 HydrophobicContact CD2-CD1 4.15Å; Y671-F743 HydrophobicContact CD2-CD2 4.23Å; Y671-F743 AromaticContact CD2-CE1 3.73Å; Y671-F743 HydrophobicContact CD2-CE1 3.73Å; Y671-F743 AromaticContact CD2-CE2 3.84Å; Y671-F743 HydrophobicContact CD2-CE2 3.84Å; Y671-F743 HydrophobicContact CD2-CG 4.4Å; Y671-F743 AromaticContact CD2-CZ 3.57Å; Y671-F743 HydrophobicContact CD2-CZ 3.57Å; Y671-F743 HydrophobicContact CE2-CE1 4.3Å; Y671-F743 HydrophobicContact CE2-CZ 4.29Å; Y671-F743 HydrophobicContact CG-CE2 4.27Å; Y671-F743 HydrophobicContact CG-CZ 4.41Å; N674-F743 HydrophobicContact CB-CB 4.16Å; T739-F743 HydrophobicContact CG2-CE2 4.05Å; T739-F743 HydrophobicContact CG2-CZ 4.46Å; T739-F743 PolarHBondContact O-N 3.43Å; E740-F743 WeakPolarHBondContact O-CB 3.38Å; E740-F743 PolarHBondContact O-N 3.37Å; Q741-F743 VanDerWaalsContact C-N 3.28Å; Q741-F743 PolarHBondContact O-N 2.72Å; F743-E746 PolarHBondContact O-N 3.2Å; F743-A747 WeakPolarHBondContact O-CB 3.34Å; F743-A747 PolarHBondContact O-N 3.14Å |
| 744 | L | 92 | Very high | 82.7 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 174.6 | -62.2 | -177.8 | 0 | 0 | 0 | 112.1 | L658 A670 I673 F695 L698 L699 L736 E740 Q741 E746 A747 A748 | L658-L744 HydrophobicContact CD1-CD2 4.11Å; L658-L744 HydrophobicContact CD2-CD2 4.17Å; A670-L744 HydrophobicContact CB-CD2 4.33Å; A670-L744 HydrophobicContact CB-CG 4.33Å; I673-L744 HydrophobicContact CG2-CD2 3.83Å; F695-L744 HydrophobicContact CD1-CD2 4.4Å; F695-L744 HydrophobicContact CE1-CD2 4.3Å; L698-L744 HydrophobicContact CB-CD1 3.8Å; L698-L744 HydrophobicContact CD1-CD1 4.01Å; L699-L744 HydrophobicContact CD2-CB 3.82Å; L736-L744 HydrophobicContact CD1-CD1 3.43Å; L736-L744 VanDerWaalsContact CD1-CD1 3.43Å; L736-L744 HydrophobicContact CD1-CG 4.48Å; E740-L744 PolarHBondContact O-N 3.35Å; E740-L744 VanDerWaalsContact O-N 3.16Å; Q741-L744 CarbonylContact O-C 3.38Å; Q741-L744 WeakPolarHBondContact O-CA 3.19Å; Q741-L744 WeakPolarHBondContact O-CB 3.4Å; Q741-L744 PolarHBondContact O-N 2.92Å; L744-E746 VanDerWaalsContact C-N 3.33Å; L744-E746 PolarHBondContact O-N 2.79Å; L744-A747 PolarHBondContact O-N 3.15Å; L744-A748 VanDerWaalsContact O-CB 3.32Å; L744-A748 WeakPolarHBondContact O-CB 3Å; L744-A748 PolarHBondContact O-N 3.28Å |
| 745 | Y | 91.3 | Very high | 83.9 | Confident | 8 Ų | 8 | 17.2 Ų | 17.2 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 171.3 | -86.9 | -77.8 | 0 | 0 | 0 | 111.6 | L699 Q741 A749 L780 V784 L817 T821 | L699-Y745 HydrophobicContact CB-CE2 4.32Å; L699-Y745 HydrophobicContact CD2-CD2 3.54Å; L699-Y745 HydrophobicContact CD2-CE1 4.44Å; L699-Y745 HydrophobicContact CD2-CE2 3.46Å; L699-Y745 VanDerWaalsContact CD2-CE2 3.46Å; L699-Y745 HydrophobicContact CD2-CG 4.08Å; L699-Y745 HydrophobicContact CG-CE2 4.4Å; L699-Y745 PolarHBondContact O-OH 2.7Å; Q741-Y745 HydrophobicContact CB-CD2 4.48Å; Q741-Y745 VanDerWaalsContact O-CD2 3.28Å; Q741-Y745 WeakPolarHBondContact O-CD2 3.41Å; Q741-Y745 PolarHBondContact O-N 3.15Å; Y745-A749 VanDerWaalsContact O-CB 3.32Å; Y745-A749 WeakPolarHBondContact O-CB 3.16Å; Y745-A749 PolarHBondContact O-N 3.01Å; Y745-L780 HydrophobicContact CD1-CD1 3.89Å; Y745-L780 HydrophobicContact CD1-CG 4.15Å; Y745-L780 HydrophobicContact CE1-CD1 3.96Å; Y745-L780 HydrophobicContact CE1-CG 4.35Å; Y745-V784 HydrophobicContact CE1-CG2 3.63Å; Y745-V784 WeakPolarHBondContact OH-CG2 3.44Å; Y745-L817 HydrophobicContact CD2-CB 4.25Å; Y745-L817 HydrophobicContact CD2-CD1 4.15Å; Y745-L817 HydrophobicContact CD2-CD2 3.7Å; Y745-L817 HydrophobicContact CD2-CG 4.25Å; Y745-L817 HydrophobicContact CE2-CB 4.41Å; Y745-L817 HydrophobicContact CE2-CD1 3.69Å; Y745-L817 HydrophobicContact CE2-CD2 4.1Å; Y745-L817 HydrophobicContact CE2-CG 4.29Å; Y745-T821 HydrophobicContact CD1-CG2 4.1Å; Y745-T821 HydrophobicContact CG-CG2 4.49Å |
| 746 | E | 91.3 | Very high | 84 | Confident | 15 Ų | 15 | 15.7 Ų | 15.7 | 7% | 0.07 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 175 | -168.5 | 177.8 | 164.5 | 0 | 0 | 111.2 | G742 F743 L744 A749 Q750 R823 | G742-E746 WeakPolarHBondContact O-CB 3.23Å; G742-E746 PolarHBondContact O-N 2.97Å; F743-E746 PolarHBondContact O-N 3.2Å; L744-E746 VanDerWaalsContact C-N 3.33Å; L744-E746 PolarHBondContact O-N 2.79Å; E746-A749 PolarHBondContact O-N 3.41Å; E746-Q750 VanDerWaalsContact O-CG 3.24Å; E746-Q750 WeakPolarHBondContact O-CG 3.35Å; E746-Q750 PolarHBondContact O-N 3.21Å; E746-R823 IonicContact OE2-NH1 3.24Å |
| 747 | A | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N674 I677 F695 F743 L744 Q750 L751 | N674-A747 HydrophobicContact CB-CB 4.08Å; I677-A747 HydrophobicContact CD1-CB 3.84Å; F695-A747 HydrophobicContact CE2-CB 4.45Å; F743-A747 WeakPolarHBondContact O-CB 3.34Å; F743-A747 PolarHBondContact O-N 3.14Å; L744-A747 PolarHBondContact O-N 3.15Å; A747-Q750 WeakPolarHBondContact O-CB 3.31Å; A747-Q750 PolarHBondContact O-N 3.18Å; A747-L751 PolarHBondContact O-N 3.34Å; A747-L751 VanDerWaalsContact O-N 3.07Å |
| 748 | A | 91.1 | Very high | 82 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.3 | -48.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L692 F695 L744 Q750 L751 I752 L780 | L692-A748 HydrophobicContact CD2-CB 3.49Å; L692-A748 VanDerWaalsContact CD2-CB 3.49Å; F695-A748 HydrophobicContact CD2-CB 4.43Å; L744-A748 VanDerWaalsContact O-CB 3.32Å; L744-A748 WeakPolarHBondContact O-CB 3Å; L744-A748 PolarHBondContact O-N 3.28Å; A748-Q750 VanDerWaalsContact C-N 3.29Å; A748-Q750 PolarHBondContact O-N 3.37Å; A748-L751 PolarHBondContact O-N 2.92Å; A748-I752 VanDerWaalsContact O-CG1 3.3Å; A748-I752 WeakPolarHBondContact O-CG1 3.28Å; A748-I752 PolarHBondContact O-N 3.33Å; A748-L780 HydrophobicContact CB-CD1 3.93Å; A748-L780 HydrophobicContact CB-CD2 3.89Å |
| 749 | A | 89.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.6 | -35.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y745 E746 I752 A753 F777 L780 T821 V824 | Y745-A749 VanDerWaalsContact O-CB 3.32Å; Y745-A749 WeakPolarHBondContact O-CB 3.16Å; Y745-A749 PolarHBondContact O-N 3.01Å; E746-A749 PolarHBondContact O-N 3.41Å; A749-I752 PolarHBondContact O-N 3.17Å; A749-A753 VanDerWaalsContact O-CB 3.27Å; A749-A753 WeakPolarHBondContact O-CB 3.49Å; A749-A753 PolarHBondContact O-N 2.94Å; A749-F777 HydrophobicContact CB-CE2 4.06Å; A749-L780 HydrophobicContact CB-CD2 4.36Å; A749-T821 HydrophobicContact CB-CG2 4.26Å; A749-V824 HydrophobicContact CB-CG2 3.66Å |
| 750 | Q | 88.4 | Confident | 78.2 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 177.1 | -74.6 | 173 | 22.1 | 0 | 0 | 112.8 | N674 I677 K678 E746 A747 A748 A754 V824 | N674-Q750 PolarHBondContact O-OE1 2.98Å; N674-Q750 PolarHBondContact OD1-NE2 3.36Å; I677-Q750 HydrophobicContact CG2-CB 4.06Å; K678-Q750 VanDerWaalsContact N-OE1 3.1Å; E746-Q750 VanDerWaalsContact O-CG 3.24Å; E746-Q750 WeakPolarHBondContact O-CG 3.35Å; E746-Q750 PolarHBondContact O-N 3.21Å; A747-Q750 WeakPolarHBondContact O-CB 3.31Å; A747-Q750 PolarHBondContact O-N 3.18Å; A748-Q750 VanDerWaalsContact C-N 3.29Å; A748-Q750 PolarHBondContact O-N 3.37Å; Q750-A754 WeakPolarHBondContact O-CB 3.44Å; Q750-A754 PolarHBondContact O-N 3Å; Q750-V824 HydrophobicContact CB-CG2 4.38Å; Q750-V824 HydrophobicContact CG-CB 4.5Å; Q750-V824 HydrophobicContact CG-CG1 4.17Å; Q750-V824 HydrophobicContact CG-CG2 3.6Å |
| 751 | L | 87.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 174.2 | -70 | 171.3 | 0 | 0 | 0 | 110.9 | I677 L684 T688 Y691 A747 A748 A754 | I677-L751 HydrophobicContact CD1-CD1 4.13Å; I677-L751 HydrophobicContact CG2-CD1 4.46Å; I677-L751 HydrophobicContact CG2-CD2 3.79Å; I677-L751 HydrophobicContact CG2-CG 3.7Å; L684-L751 HydrophobicContact CB-CD2 3.83Å; T688-L751 HydrophobicContact CG2-CB 3.84Å; Y691-L751 HydrophobicContact CD2-CD1 4.3Å; Y691-L751 HydrophobicContact CG-CD1 4.4Å; A747-L751 PolarHBondContact O-N 3.34Å; A747-L751 VanDerWaalsContact O-N 3.07Å; A748-L751 PolarHBondContact O-N 2.92Å; L751-A754 WeakPolarHBondContact O-CB 3.34Å; L751-A754 PolarHBondContact O-N 3.36Å |
| 752 | I | 87.3 | Confident | 73.1 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -50 | 179.6 | -65.5 | 165.8 | 0 | 0 | 0 | 110.9 | T688 L692 A748 A749 A754 G755 V773 L776 F777 L780 | T688-I752 HydrophobicContact CG2-CG1 4.49Å; L692-I752 HydrophobicContact CD1-CD1 4.19Å; L692-I752 HydrophobicContact CD1-CG1 4.09Å; L692-I752 HydrophobicContact CD2-CD1 4.34Å; A748-I752 VanDerWaalsContact O-CG1 3.3Å; A748-I752 WeakPolarHBondContact O-CG1 3.28Å; A748-I752 PolarHBondContact O-N 3.33Å; A749-I752 PolarHBondContact O-N 3.17Å; I752-A754 PolarHBondContact O-N 2.87Å; I752-G755 PolarHBondContact O-N 3.15Å; I752-G755 VanDerWaalsContact O-N 3.15Å; I752-V773 HydrophobicContact CG2-CG1 3.95Å; I752-V773 WeakPolarHBondContact CG2-O 3.34Å; I752-L776 HydrophobicContact CD1-CB 4.19Å; I752-L776 HydrophobicContact CG1-CB 4.09Å; I752-L776 HydrophobicContact CG2-CB 4.02Å; I752-F777 HydrophobicContact CG2-CB 4.07Å; I752-F777 HydrophobicContact CG2-CD2 4.27Å; I752-L780 HydrophobicContact CD1-CB 4.17Å; I752-L780 HydrophobicContact CD1-CD2 3.92Å |
| 753 | A | 83 | Confident | 70.4 | Confident | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -23.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A749 G755 G756 V824 F825 | A749-A753 VanDerWaalsContact O-CB 3.27Å; A749-A753 WeakPolarHBondContact O-CB 3.49Å; A749-A753 PolarHBondContact O-N 2.94Å; A753-G755 PolarHBondContact O-N 3.23Å; A753-G756 PolarHBondContact O-N 2.83Å; A753-V824 HydrophobicContact CB-CB 4.4Å; A753-V824 HydrophobicContact CB-CG1 3.39Å; A753-F825 HydrophobicContact CB-CE1 4.13Å |
| 754 | A | 80.4 | Confident | 67.7 | Low | 8 Ų | 8 | 47.4 Ų | 47.4 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -28.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K681 L685 Q750 L751 I752 G756 I757 | K681-A754 HydrophobicContact CB-CB 3.93Å; K681-A754 HydrophobicContact CD-CB 4.04Å; K681-A754 HydrophobicContact CG-CB 4.02Å; L685-A754 HydrophobicContact CD1-CB 4.25Å; Q750-A754 WeakPolarHBondContact O-CB 3.44Å; Q750-A754 PolarHBondContact O-N 3Å; L751-A754 WeakPolarHBondContact O-CB 3.34Å; L751-A754 PolarHBondContact O-N 3.36Å; I752-A754 PolarHBondContact O-N 2.87Å; A754-G756 VanDerWaalsContact C-N 3.33Å; A754-G756 PolarHBondContact O-N 2.88Å; A754-I757 PolarHBondContact O-N 3.14Å |
| 755 | G | 72.3 | Confident | 64.8 | Low | 20 Ų | 20 | 52.3 Ų | 52.3 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -31 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I752 A753 I757 | I752-G755 PolarHBondContact O-N 3.15Å; I752-G755 VanDerWaalsContact O-N 3.15Å; A753-G755 PolarHBondContact O-N 3.23Å; G755-I757 VanDerWaalsContact C-N 3.31Å; G755-I757 PolarHBondContact O-N 2.95Å |
| 756 | G | 62.7 | Low | 62.2 | Low | 16 Ų | 16 | 58 Ų | 58 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.5 | -21 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A753 A754 | A753-G756 PolarHBondContact O-N 2.83Å; A754-G756 VanDerWaalsContact C-N 3.33Å; A754-G756 PolarHBondContact O-N 2.88Å |
| 757 | I | 55.6 | Low | 60 | Low | 68 Ų | 68 | 64.4 Ų | 64.4 | 35% | 0.349 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19.4 | -171.1 | -59.6 | 173.6 | 0 | 0 | 0 | 112.7 | A754 G755 L759 P760 | A754-I757 PolarHBondContact O-N 3.14Å; G755-I757 VanDerWaalsContact C-N 3.31Å; G755-I757 PolarHBondContact O-N 2.95Å; I757-L759 VanDerWaalsContact C-N 3.33Å; I757-L759 PolarHBondContact O-N 3.25Å; I757-P760 WeakPolarHBondContact O-CD 3.48Å |
| 758 | Q | 50.8 | Low | 58.1 | Low | 130 Ų | 130 | 69.6 Ų | 69.6 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 0.6 | -175.9 | -71.1 | -171.2 | -11.4 | 0 | 0 | 114.8 | ||
| 759 | L | 42 | Very low | 56.3 | Low | 85 Ų | 85 | 70.9 Ų | 70.9 | 45% | 0.445 | 42% | 0.417 | S | S | . | . | trans | -90.1 | 8.5 | -172.7 | -82.2 | 134.5 | 0 | 0 | 0 | 120.6 | I757 N761 | I757-L759 VanDerWaalsContact C-N 3.33Å; I757-L759 PolarHBondContact O-N 3.25Å; L759-N761 PolarHBondContact O-N 3Å | ||
| 760 | P | 34.2 | Very low | 54.8 | Low | 108 Ų | 108 | 75.9 Ų | 75.9 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -11.2 | -174.3 | -17.1 | 30.7 | 0 | 0 | 0 | 118.3 | I757 | I757-P760 WeakPolarHBondContact O-CD 3.48Š|
| 761 | N | 33.5 | Very low | 53.8 | Low | 155 Ų | 155 | 81 Ų | 81 | 83% | 0.829 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | 17.2 | -161.4 | -78.8 | -8.8 | 0 | 0 | 0 | 117.9 | L759 | L759-N761 PolarHBondContact O-N 3Š|
| 762 | S | 33.1 | Very low | 53.5 | Low | 102 Ų | 102 | 85.9 Ų | 85.9 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | trans | -104.7 | 84.7 | 171.5 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | N764 | S762-N764 PolarHBondContact O-N 3.16Š| ||
| 763 | T | 31.2 | Very low | 53.3 | Low | 132 Ų | 132 | 86.2 Ų | 86.2 | 81% | 0.81 | 49% | 0.489 | S | S | * | . | trans | -67.5 | 80.1 | 161.2 | 49.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 764 | N | 33.5 | Very low | 53.3 | Low | 134 Ų | 134 | 85.9 Ų | 85.9 | 72% | 0.717 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 174.8 | 114.4 | 154.9 | -87.2 | -22.5 | 0 | 0 | 0 | 109.4 | S762 | S762-N764 PolarHBondContact O-N 3.16Š|
| 765 | S | 31.6 | Very low | 53.6 | Low | 102 Ų | 102 | 90 Ų | 90 | 71% | 0.713 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 39.1 | 93 | 153.6 | 63.3 | 0 | 0 | 0 | 0 | 118.5 | ||
| 766 | N | 36.1 | Very low | 54.3 | Low | 128 Ų | 128 | 90.5 Ų | 90.5 | 68% | 0.684 | 50% | 0.502 | S | S | * | . | 172.4 | 107 | 125.7 | -84 | -14.7 | 0 | 0 | 0 | 109.8 | N768 | N766-N768 PolarHBondContact O-N 3.31Š| |||
| 767 | N | 44.3 | Very low | 55.6 | Low | 149 Ų | 149 | 89.7 Ų | 89.7 | 80% | 0.797 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 3.7 | 176.7 | -76.3 | -8.5 | 0 | 0 | 0 | 114.9 | G769 | N767-G769 VanDerWaalsContact C-N 3.29Å; N767-G769 PolarHBondContact O-N 3.16Å |
| 768 | N | 52.1 | Low | 57.2 | Low | 110 Ų | 110 | 91.6 Ų | 91.6 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.7 | -18.5 | -169.1 | -59.5 | -5 | 0 | 0 | 0 | 114 | N766 R772 | N766-N768 PolarHBondContact O-N 3.31Å; N768-R772 PolarHBondContact O-N 3.34Å |
| 769 | G | 53.4 | Low | 59.1 | Low | 27 Ų | 27 | 89.9 Ų | 89.9 | 28% | 0.278 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.8 | -43.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N767 D771 R772 | N767-G769 VanDerWaalsContact C-N 3.29Å; N767-G769 PolarHBondContact O-N 3.16Å; G769-D771 VanDerWaalsContact C-N 3.34Å; G769-R772 PolarHBondContact O-N 3.36Å |
| 770 | E | 57.7 | Low | 61.4 | Low | 104 Ų | 104 | 86.7 Ų | 86.7 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 177.2 | -69 | -170.4 | 160.6 | 0 | 0 | 111.6 | R772 V773 G774 | E770-R772 VanDerWaalsContact C-N 3.32Å; E770-R772 PolarHBondContact O-N 3.31Å; E770-V773 PolarHBondContact O-N 2.92Å; E770-G774 PolarHBondContact O-N 2.92Å |
| 771 | D | 67.3 | Low | 64 | Low | 111 Ų | 111 | 81.6 Ų | 81.6 | 59% | 0.594 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.5 | -38.5 | 175.7 | -82.3 | -19.8 | 0 | 0 | 0 | 111.9 | G769 G774 E775 | G769-D771 VanDerWaalsContact C-N 3.34Å; D771-G774 PolarHBondContact O-N 2.98Å; D771-E775 WeakPolarHBondContact O-CB 3.27Å; D771-E775 PolarHBondContact O-N 3.45Å |
| 772 | R | 81 | Confident | 66.7 | Low | 103 Ų | 103 | 76.7 Ų | 76.7 | 39% | 0.389 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | -178.1 | -171.5 | 58.2 | 173.8 | 179 | -0.1 | 113.5 | E689 N768 G769 E770 E775 L776 | E689-R772 IonicContact OE1-CZ 2.83Å; E689-R772 IonicContact OE1-NE 2.72Å; E689-R772 IonicContact OE1-NH2 3.67Å; E689-R772 PolarHBondContact OE1-NH2 2.97Å; N768-R772 PolarHBondContact O-N 3.34Å; G769-R772 PolarHBondContact O-N 3.36Å; E770-R772 VanDerWaalsContact C-N 3.32Å; E770-R772 PolarHBondContact O-N 3.31Å; R772-E775 WeakPolarHBondContact CD-OE2 3.31Å; R772-E775 IonicContact CZ-OE2 3.62Å; R772-E775 IonicContact NE-OE2 3.65Å; R772-E775 VanDerWaalsContact NH1-CD 3.34Å; R772-E775 IonicContact NH1-OE1 3.99Å; R772-E775 IonicContact NH1-OE2 2.73Å; R772-E775 PolarHBondContact NH1-OE2 3.21Å; R772-E775 PolarHBondContact O-N 3.42Å; R772-L776 HydrophobicContact CG-CD1 4.45Å; R772-L776 WeakPolarHBondContact O-CG 3.44Å; R772-L776 PolarHBondContact O-N 3.02Å |
| 773 | V | 83.5 | Confident | 69.4 | Low | 11 Ų | 11 | 75 Ų | 75 | 7% | 0.067 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | I752 E770 E775 F777 T833 | I752-V773 HydrophobicContact CG2-CG1 3.95Å; I752-V773 WeakPolarHBondContact CG2-O 3.34Å; E770-V773 PolarHBondContact O-N 2.92Å; V773-E775 VanDerWaalsContact C-N 3.34Å; V773-F777 WeakPolarHBondContact O-CB 3.15Å; V773-F777 PolarHBondContact O-N 2.9Å; V773-T833 HydrophobicContact CG1-CG2 4.31Å |
| 774 | G | 84 | Confident | 72.1 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E770 D771 R778 | E770-G774 PolarHBondContact O-N 2.92Å; D771-G774 PolarHBondContact O-N 2.98Å; G774-R778 WeakPolarHBondContact O-CB 3.49Å; G774-R778 PolarHBondContact O-N 2.95Å |
| 775 | E | 86.4 | Confident | 74.8 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 176.1 | -171.4 | -175.8 | -168 | 0 | 0 | 111.8 | D771 R772 V773 F777 R778 V779 | D771-E775 WeakPolarHBondContact O-CB 3.27Å; D771-E775 PolarHBondContact O-N 3.45Å; R772-E775 WeakPolarHBondContact CD-OE2 3.31Å; R772-E775 IonicContact CZ-OE2 3.62Å; R772-E775 IonicContact NE-OE2 3.65Å; R772-E775 VanDerWaalsContact NH1-CD 3.34Å; R772-E775 IonicContact NH1-OE1 3.99Å; R772-E775 IonicContact NH1-OE2 2.73Å; R772-E775 PolarHBondContact NH1-OE2 3.21Å; R772-E775 PolarHBondContact O-N 3.42Å; V773-E775 VanDerWaalsContact C-N 3.34Å; E775-F777 VanDerWaalsContact C-N 3.31Å; E775-F777 PolarHBondContact O-N 3.44Å; E775-R778 WeakPolarHBondContact O-CB 3.42Å; E775-R778 PolarHBondContact O-N 2.85Å; E775-V779 WeakPolarHBondContact O-CG2 3.39Å; E775-V779 PolarHBondContact O-N 3.32Å |
| 776 | L | 86.8 | Confident | 77.5 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 177.5 | -71.2 | 174.9 | 0 | 0 | 0 | 111.9 | L692 I752 R772 R778 V779 L780 | L692-L776 HydrophobicContact CD1-CD2 4.49Å; I752-L776 HydrophobicContact CD1-CB 4.19Å; I752-L776 HydrophobicContact CG1-CB 4.09Å; I752-L776 HydrophobicContact CG2-CB 4.02Å; R772-L776 HydrophobicContact CG-CD1 4.45Å; R772-L776 WeakPolarHBondContact O-CG 3.44Å; R772-L776 PolarHBondContact O-N 3.02Å; L776-R778 VanDerWaalsContact C-N 3.34Å; L776-V779 PolarHBondContact O-N 3.27Å; L776-L780 PolarHBondContact O-N 3.31Å |
| 777 | F | 88.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -38.4 | 176.6 | -160.8 | -104.3 | 0 | 0 | 0 | 111.9 | A749 I752 V773 E775 L780 L781 F825 C836 V839 L840 | A749-F777 HydrophobicContact CB-CE2 4.06Å; I752-F777 HydrophobicContact CG2-CB 4.07Å; I752-F777 HydrophobicContact CG2-CD2 4.27Å; V773-F777 WeakPolarHBondContact O-CB 3.15Å; V773-F777 PolarHBondContact O-N 2.9Å; E775-F777 VanDerWaalsContact C-N 3.31Å; E775-F777 PolarHBondContact O-N 3.44Å; F777-L780 PolarHBondContact O-N 3.03Å; F777-L781 HydrophobicContact CD1-CD1 4.02Å; F777-L781 HydrophobicContact CE1-CD1 3.38Å; F777-L781 HydrophobicContact CE1-CG 4.35Å; F777-L781 HydrophobicContact CZ-CD1 3.75Å; F777-L781 PolarHBondContact O-N 3.13Å; F777-L781 VanDerWaalsContact O-N 3.14Å; F777-F825 HydrophobicContact CE1-CE2 4.35Å; F777-F825 HydrophobicContact CE2-CE2 4.04Å; F777-F825 HydrophobicContact CE2-CZ 4.04Å; F777-F825 AromaticContact CZ-CE2 3.73Å; F777-F825 HydrophobicContact CZ-CE2 3.73Å; F777-F825 HydrophobicContact CZ-CZ 4.1Å; F777-C836 HydrophobicContact CD1-CB 4.25Å; F777-V839 HydrophobicContact CD1-CB 4.04Å; F777-V839 HydrophobicContact CD1-CG1 3.9Å; F777-V839 HydrophobicContact CE1-CG1 4.25Å; F777-L840 HydrophobicContact CE1-CD2 3.9Å; F777-L840 HydrophobicContact CE1-CG 4.12Å; F777-L840 HydrophobicContact CZ-CD2 4.25Å |
| 778 | R | 90.8 | Very high | 82.2 | Confident | 107 Ų | 107 | 53.2 Ų | 53.2 | 40% | 0.404 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 171.8 | -175.7 | 172.7 | -81.3 | 111.2 | -3 | 111.1 | G774 E775 L776 L780 L781 T782 V839 | G774-R778 WeakPolarHBondContact O-CB 3.49Å; G774-R778 PolarHBondContact O-N 2.95Å; E775-R778 WeakPolarHBondContact O-CB 3.42Å; E775-R778 PolarHBondContact O-N 2.85Å; L776-R778 VanDerWaalsContact C-N 3.34Å; R778-L780 VanDerWaalsContact C-N 3.29Å; R778-L780 PolarHBondContact O-N 3.38Å; R778-L781 PolarHBondContact O-N 2.95Å; R778-T782 WeakPolarHBondContact CG-OG1 3.32Å; R778-T782 VanDerWaalsContact O-CB 3.22Å; R778-T782 WeakPolarHBondContact O-CB 3.5Å; R778-T782 PolarHBondContact O-N 2.74Å; R778-T782 PolarHBondContact O-OG1 3.43Å; R778-V839 HydrophobicContact CB-CG2 3.78Å; R778-V839 HydrophobicContact CG-CG2 4.33Å |
| 779 | V | 90 | Very high | 84 | Confident | 95 Ų | 95 | 50.9 Ų | 50.9 | 58% | 0.576 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | E775 L776 P783 | E775-V779 WeakPolarHBondContact O-CG2 3.39Å; E775-V779 PolarHBondContact O-N 3.32Å; L776-V779 PolarHBondContact O-N 3.27Å; V779-P783 WeakPolarHBondContact O-CD 3.36Å |
| 780 | L | 89.1 | Confident | 85.7 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.6 | -179.6 | 65.5 | 0 | 0 | 0 | 112.9 | L699 Y745 A748 A749 I752 L776 F777 R778 T821 | L699-L780 HydrophobicContact CD1-CD1 4.34Å; Y745-L780 HydrophobicContact CD1-CD1 3.89Å; Y745-L780 HydrophobicContact CD1-CG 4.15Å; Y745-L780 HydrophobicContact CE1-CD1 3.96Å; Y745-L780 HydrophobicContact CE1-CG 4.35Å; A748-L780 HydrophobicContact CB-CD1 3.93Å; A748-L780 HydrophobicContact CB-CD2 3.89Å; A749-L780 HydrophobicContact CB-CD2 4.36Å; I752-L780 HydrophobicContact CD1-CB 4.17Å; I752-L780 HydrophobicContact CD1-CD2 3.92Å; L776-L780 PolarHBondContact O-N 3.31Å; F777-L780 PolarHBondContact O-N 3.03Å; R778-L780 VanDerWaalsContact C-N 3.29Å; R778-L780 PolarHBondContact O-N 3.38Å; L780-T821 HydrophobicContact CD2-CG2 4.22Å |
| 781 | L | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -91 | -25.7 | -172.8 | -72.8 | -177.3 | 0 | 0 | 0 | 114.6 | F777 R778 V784 M785 I818 T821 V839 L840 | F777-L781 HydrophobicContact CD1-CD1 4.02Å; F777-L781 HydrophobicContact CE1-CD1 3.38Å; F777-L781 HydrophobicContact CE1-CG 4.35Å; F777-L781 HydrophobicContact CZ-CD1 3.75Å; F777-L781 PolarHBondContact O-N 3.13Å; F777-L781 VanDerWaalsContact O-N 3.14Å; R778-L781 PolarHBondContact O-N 2.95Å; L781-V784 PolarHBondContact O-N 3.49Å; L781-V784 VanDerWaalsContact O-N 3.13Å; L781-M785 HydrophobicContact CB-SD 4.09Å; L781-M785 VanDerWaalsContact O-CG 3.31Å; L781-M785 WeakPolarHBondContact O-CG 3.45Å; L781-M785 PolarHBondContact O-N 3.38Å; L781-I818 HydrophobicContact CD2-CG1 4.39Å; L781-I818 HydrophobicContact CD2-CG2 4.37Å; L781-T821 HydrophobicContact CD2-CG2 3.78Å; L781-V839 HydrophobicContact CB-CG1 4.33Å; L781-V839 HydrophobicContact CD1-CG1 3.94Å; L781-L840 HydrophobicContact CD1-CD2 4.39Å |
| 782 | T | 89.9 | Confident | 88.4 | Confident | 53 Ų | 53 | 43.8 Ų | 43.8 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -55.9 | -45.3 | -176.2 | -62.8 | 0 | 0 | 0 | 0 | 113.2 | R778 V784 M785 I786 | R778-T782 WeakPolarHBondContact CG-OG1 3.32Å; R778-T782 VanDerWaalsContact O-CB 3.22Å; R778-T782 WeakPolarHBondContact O-CB 3.5Å; R778-T782 PolarHBondContact O-N 2.74Å; R778-T782 PolarHBondContact O-OG1 3.43Å; T782-V784 VanDerWaalsContact C-N 3.32Å; T782-V784 PolarHBondContact O-N 3.04Å; T782-M785 PolarHBondContact O-N 3.24Å; T782-I786 HydrophobicContact CG2-CD1 3.66Å; T782-I786 HydrophobicContact CG2-CG1 4.23Å; T782-I786 WeakPolarHBondContact O-CG1 3.42Å; T782-I786 PolarHBondContact O-N 3.45Å |
| 783 | P | 88.3 | Confident | 88.9 | Confident | 67 Ų | 67 | 41.1 Ų | 41.1 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 177 | -24.9 | 35 | 0 | 0 | 0 | 112.7 | V779 I786 Q787 | V779-P783 WeakPolarHBondContact O-CD 3.36Å; P783-I786 PolarHBondContact O-N 3.32Å; P783-Q787 WeakPolarHBondContact O-CG 2.92Å; P783-Q787 PolarHBondContact O-N 3.03Å; P783-Q787 VanDerWaalsContact O-N 3.09Å |
| 784 | V | 89.2 | Confident | 89.2 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 179.3 | -172.8 | 0 | 0 | 0 | 0 | 111 | L701 Y745 L781 T782 Q787 Y788 V814 I818 | L701-V784 HydrophobicContact CD1-CG1 4.14Å; L701-V784 HydrophobicContact CD1-CG2 4.19Å; Y745-V784 HydrophobicContact CE1-CG2 3.63Å; Y745-V784 WeakPolarHBondContact OH-CG2 3.44Å; L781-V784 PolarHBondContact O-N 3.49Å; L781-V784 VanDerWaalsContact O-N 3.13Å; T782-V784 VanDerWaalsContact C-N 3.32Å; T782-V784 PolarHBondContact O-N 3.04Å; V784-Q787 PolarHBondContact O-N 3.4Å; V784-Y788 WeakPolarHBondContact O-CB 3.38Å; V784-Y788 PolarHBondContact O-N 2.96Å; V784-V814 HydrophobicContact CG1-CG1 3.58Å; V784-I818 HydrophobicContact CB-CG1 4.46Å; V784-I818 HydrophobicContact CG1-CD1 4.1Å; V784-I818 HydrophobicContact CG1-CG1 3.7Å |
| 785 | M | 89.2 | Confident | 89.5 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 15% | 0.148 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 178 | -71.1 | 173.6 | 62.9 | 0 | 0 | 112.2 | L781 T782 Y788 I818 D842 A843 L846 | L781-M785 HydrophobicContact CB-SD 4.09Å; L781-M785 VanDerWaalsContact O-CG 3.31Å; L781-M785 WeakPolarHBondContact O-CG 3.45Å; L781-M785 PolarHBondContact O-N 3.38Å; T782-M785 PolarHBondContact O-N 3.24Å; M785-Y788 WeakPolarHBondContact O-CB 3.39Å; M785-Y788 PolarHBondContact O-N 2.84Å; M785-I818 HydrophobicContact CG-CD1 4.31Å; M785-D842 HydrophobicContact CE-CB 4.1Å; M785-A843 HydrophobicContact CE-CB 4.12Å; M785-A843 HydrophobicContact SD-CB 4.09Å; M785-L846 HydrophobicContact CB-CD2 3.93Å; M785-L846 HydrophobicContact CE-CD2 4.35Å; M785-L846 HydrophobicContact CG-CD2 4.37Å; M785-L846 WeakPolarHBondContact O-CD2 3.14Å |
| 786 | I | 88.3 | Confident | 89.7 | Confident | 106 Ų | 106 | 41.6 Ų | 41.6 | 54% | 0.544 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 176.5 | -69.4 | 169.3 | 0 | 0 | 0 | 110.4 | T782 P783 Y788 | T782-I786 HydrophobicContact CG2-CD1 3.66Å; T782-I786 HydrophobicContact CG2-CG1 4.23Å; T782-I786 WeakPolarHBondContact O-CG1 3.42Å; T782-I786 PolarHBondContact O-N 3.45Å; P783-I786 PolarHBondContact O-N 3.32Å; I786-Y788 VanDerWaalsContact C-N 3.3Å; I786-Y788 PolarHBondContact O-N 3.19Å |
| 787 | Q | 87.9 | Confident | 89.8 | Confident | 49 Ų | 49 | 44.2 Ų | 44.2 | 23% | 0.229 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -29.1 | 179.4 | -70.3 | 178 | 1.4 | 0 | 0 | 112.3 | P783 V784 N789 Q790 F791 | P783-Q787 WeakPolarHBondContact O-CG 2.92Å; P783-Q787 PolarHBondContact O-N 3.03Å; P783-Q787 VanDerWaalsContact O-N 3.09Å; V784-Q787 PolarHBondContact O-N 3.4Å; Q787-N789 VanDerWaalsContact C-N 3.3Å; Q787-N789 PolarHBondContact O-N 3.04Å; Q787-Q790 CarbonylContact O-C 3.59Å; Q787-Q790 WeakPolarHBondContact O-CA 3.26Å; Q787-Q790 VanDerWaalsContact O-CB 3.28Å; Q787-Q790 WeakPolarHBondContact O-CB 3.47Å; Q787-Q790 PolarHBondContact O-N 3.38Å; Q787-F791 HydrophobicContact CB-CD2 4.17Å; Q787-F791 HydrophobicContact CB-CE2 4.04Å; Q787-F791 VanDerWaalsContact O-CD2 3.23Å; Q787-F791 WeakPolarHBondContact O-CD2 3.5Å; Q787-F791 PolarHBondContact O-N 2.86Å |
| 788 | Y | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53 | -44.9 | 179.2 | -174.4 | -103.2 | 0 | 0 | 0 | 112.9 | V784 M785 I786 Q790 F791 V792 V811 V814 T815 L846 I847 E850 | V784-Y788 WeakPolarHBondContact O-CB 3.38Å; V784-Y788 PolarHBondContact O-N 2.96Å; M785-Y788 WeakPolarHBondContact O-CB 3.39Å; M785-Y788 PolarHBondContact O-N 2.84Å; I786-Y788 VanDerWaalsContact C-N 3.3Å; I786-Y788 PolarHBondContact O-N 3.19Å; Y788-Q790 VanDerWaalsContact C-N 3.27Å; Y788-Q790 PolarHBondContact O-N 3.25Å; Y788-F791 PolarHBondContact O-N 3.46Å; Y788-V792 HydrophobicContact CD1-CG2 4.13Å; Y788-V792 HydrophobicContact CE1-CG2 3.72Å; Y788-V792 HydrophobicContact CE2-CG2 4.3Å; Y788-V792 WeakPolarHBondContact O-CG2 3.41Å; Y788-V792 PolarHBondContact O-N 3.43Å; Y788-V811 HydrophobicContact CE2-CG1 3.96Å; Y788-V814 HydrophobicContact CD2-CB 4.3Å; Y788-V814 HydrophobicContact CD2-CG1 3.83Å; Y788-T815 WeakPolarHBondContact CE2-OG1 3.49Å; Y788-L846 HydrophobicContact CD1-CD2 4.37Å; Y788-L846 HydrophobicContact CD1-CG 4.29Å; Y788-I847 HydrophobicContact CD1-CG1 4.5Å; Y788-I847 HydrophobicContact CE1-CB 4.48Å; Y788-I847 HydrophobicContact CE1-CG1 3.99Å; Y788-E850 HydrophobicContact CD1-CG 4.24Å; Y788-E850 HydrophobicContact CE1-CB 3.97Å; Y788-E850 HydrophobicContact CE1-CG 4.02Å |
| 789 | N | 89.4 | Confident | 89.5 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -33.7 | 176.3 | -179.7 | -77.4 | 0 | 0 | 0 | 112.1 | Q787 T793 E850 | Q787-N789 VanDerWaalsContact C-N 3.3Å; Q787-N789 PolarHBondContact O-N 3.04Å; N789-T793 VanDerWaalsContact O-CB 3.27Å; N789-T793 WeakPolarHBondContact O-CB 3.48Å; N789-T793 PolarHBondContact O-N 3.38Å; N789-T793 PolarHBondContact O-OG1 2.91Å; N789-E850 PolarHBondContact ND2-OE1 3.17Å |
| 790 | Q | 90.1 | Very high | 89.3 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 175.5 | -57.7 | 178 | -13.7 | 0 | 0 | 111.5 | L703 Q787 Y788 T793 K794 | L703-Q790 HydrophobicContact CD2-CB 3.98Å; Q787-Q790 CarbonylContact O-C 3.59Å; Q787-Q790 WeakPolarHBondContact O-CA 3.26Å; Q787-Q790 VanDerWaalsContact O-CB 3.28Å; Q787-Q790 WeakPolarHBondContact O-CB 3.47Å; Q787-Q790 PolarHBondContact O-N 3.38Å; Y788-Q790 VanDerWaalsContact C-N 3.27Å; Y788-Q790 PolarHBondContact O-N 3.25Å; Q790-T793 PolarHBondContact O-N 3.19Å; Q790-K794 WeakPolarHBondContact O-CB 3.26Å; Q790-K794 WeakPolarHBondContact O-CG 3.26Å; Q790-K794 PolarHBondContact O-N 2.98Å |
| 791 | F | 90.3 | Very high | 89.1 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.039 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 173.9 | -80.1 | -80.3 | 0 | 0 | 0 | 111.6 | S702 L703 Q787 Y788 K794 Y795 L810 V811 V814 | S702-F791 WeakPolarHBondContact O-CZ 3.48Å; L703-F791 HydrophobicContact CD2-CD1 4.44Å; L703-F791 HydrophobicContact CD2-CD2 4.05Å; L703-F791 HydrophobicContact CD2-CE1 4.28Å; L703-F791 HydrophobicContact CD2-CE2 3.85Å; L703-F791 HydrophobicContact CD2-CG 4.34Å; L703-F791 HydrophobicContact CD2-CZ 3.98Å; L703-F791 HydrophobicContact CG-CE2 4.27Å; L703-F791 HydrophobicContact CG-CZ 4.14Å; Q787-F791 HydrophobicContact CB-CD2 4.17Å; Q787-F791 HydrophobicContact CB-CE2 4.04Å; Q787-F791 VanDerWaalsContact O-CD2 3.23Å; Q787-F791 WeakPolarHBondContact O-CD2 3.5Å; Q787-F791 PolarHBondContact O-N 2.86Å; Y788-F791 PolarHBondContact O-N 3.46Å; F791-K794 PolarHBondContact O-N 3.5Å; F791-Y795 WeakPolarHBondContact O-CB 3.49Å; F791-Y795 PolarHBondContact O-N 2.99Å; F791-L810 HydrophobicContact CD1-CB 3.85Å; F791-L810 HydrophobicContact CE1-CB 3.99Å; F791-L810 HydrophobicContact CE1-CD1 4.28Å; F791-V811 HydrophobicContact CB-CG2 4.16Å; F791-V814 HydrophobicContact CD1-CG2 4.33Å; F791-V814 HydrophobicContact CD2-CG2 3.69Å; F791-V814 HydrophobicContact CE1-CG2 4.27Å; F791-V814 HydrophobicContact CE2-CG2 3.64Å; F791-V814 HydrophobicContact CG-CG2 4.06Å; F791-V814 HydrophobicContact CZ-CG2 3.93Å |
| 792 | V | 91.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 111 | Y788 Y795 V796 V811 E850 F854 | Y788-V792 HydrophobicContact CD1-CG2 4.13Å; Y788-V792 HydrophobicContact CE1-CG2 3.72Å; Y788-V792 HydrophobicContact CE2-CG2 4.3Å; Y788-V792 WeakPolarHBondContact O-CG2 3.41Å; Y788-V792 PolarHBondContact O-N 3.43Å; V792-Y795 PolarHBondContact O-N 3.01Å; V792-V796 HydrophobicContact CG1-CG2 4.07Å; V792-V796 VanDerWaalsContact O-CG2 3.29Å; V792-V796 WeakPolarHBondContact O-CG2 3.48Å; V792-V796 PolarHBondContact O-N 2.63Å; V792-V811 HydrophobicContact CG2-CG1 4.07Å; V792-V811 HydrophobicContact CG2-CG2 4.25Å; V792-E850 HydrophobicContact CG1-CB 4.23Å; V792-E850 HydrophobicContact CG2-CB 4.22Å; V792-F854 HydrophobicContact CG1-CD1 4.36Å; V792-F854 HydrophobicContact CG1-CE1 3.94Å; V792-F854 HydrophobicContact CG2-CE1 4.08Å |
| 793 | T | 92 | Very high | 88.6 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 28% | 0.282 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | N789 Q790 Y795 V796 T797 R853 | N789-T793 VanDerWaalsContact O-CB 3.27Å; N789-T793 WeakPolarHBondContact O-CB 3.48Å; N789-T793 PolarHBondContact O-N 3.38Å; N789-T793 PolarHBondContact O-OG1 2.91Å; Q790-T793 PolarHBondContact O-N 3.19Å; T793-Y795 VanDerWaalsContact C-N 3.31Å; T793-Y795 PolarHBondContact O-N 3.41Å; T793-V796 PolarHBondContact O-N 2.88Å; T793-T797 HydrophobicContact CG2-CG2 4.35Å; T793-T797 WeakPolarHBondContact O-CB 3.32Å; T793-T797 VanDerWaalsContact O-CG2 3.31Å; T793-T797 WeakPolarHBondContact O-CG2 3.4Å; T793-T797 PolarHBondContact O-N 3.41Å; T793-T797 PolarHBondContact O-OG1 2.76Å; T793-R853 PolarHBondContact OG1-NH1 3.11Å; T793-R853 PolarHBondContact OG1-NH2 3.32Å |
| 794 | K | 89.4 | Confident | 88.6 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 175.7 | -77.8 | -176.7 | 168.9 | -168.5 | 0 | 111.9 | E704 Q790 F791 T797 E798 R807 | E704-K794 IonicContact OE1-NZ 2.77Å; E704-K794 PolarHBondContact OE1-NZ 3.5Å; Q790-K794 WeakPolarHBondContact O-CB 3.26Å; Q790-K794 WeakPolarHBondContact O-CG 3.26Å; Q790-K794 PolarHBondContact O-N 2.98Å; F791-K794 PolarHBondContact O-N 3.5Å; K794-T797 PolarHBondContact O-OG1 3.33Å; K794-E798 WeakPolarHBondContact O-CB 3.42Å; K794-E798 PolarHBondContact O-N 3.3Å; K794-R807 VanDerWaalsContact O-CD 3.29Å; K794-R807 WeakPolarHBondContact O-CD 3.34Å |
| 795 | Y | 91.4 | Very high | 88.4 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 2% | 0.024 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -50.3 | 177.4 | 170.1 | -123.5 | 0 | 0 | 0 | 112.1 | F791 V792 T793 T797 E798 A804 R807 V811 P855 P861 R863 A866 | F791-Y795 WeakPolarHBondContact O-CB 3.49Å; F791-Y795 PolarHBondContact O-N 2.99Å; V792-Y795 PolarHBondContact O-N 3.01Å; T793-Y795 VanDerWaalsContact C-N 3.31Å; T793-Y795 PolarHBondContact O-N 3.41Å; Y795-T797 VanDerWaalsContact C-N 3.33Å; Y795-T797 PolarHBondContact O-N 3.04Å; Y795-E798 PolarHBondContact O-N 2.79Å; Y795-A804 WeakPolarHBondContact CD2-O 3.4Å; Y795-A804 VanDerWaalsContact CE2-O 3.29Å; Y795-A804 WeakPolarHBondContact CE2-O 3.3Å; Y795-R807 HydrophobicContact CD2-CB 3.97Å; Y795-R807 HydrophobicContact CG-CB 4.48Å; Y795-V811 HydrophobicContact CD1-CG2 4.31Å; Y795-V811 HydrophobicContact CG-CG2 4.22Å; Y795-P855 HydrophobicContact CE1-CG 4.38Å; Y795-P861 WeakPolarHBondContact CE2-O 3.47Å; Y795-P861 PolarHBondContact OH-O 2.93Å; Y795-R863 WeakPolarHBondContact OH-CA 3.46Å; Y795-R863 PolarHBondContact OH-N 3.09Å; Y795-A866 HydrophobicContact CE1-CB 4.23Å |
| 796 | V | 89.4 | Confident | 88.2 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.6 | -27.6 | -176 | 176.3 | 0 | 0 | 0 | 0 | 112.4 | V792 T793 R853 | V792-V796 HydrophobicContact CG1-CG2 4.07Å; V792-V796 VanDerWaalsContact O-CG2 3.29Å; V792-V796 WeakPolarHBondContact O-CG2 3.48Å; V792-V796 PolarHBondContact O-N 2.63Å; T793-V796 PolarHBondContact O-N 2.88Å; V796-R853 WeakPolarHBondContact CG1-O 3.34Å; V796-R853 HydrophobicContact CG2-CB 4.24Å; V796-R853 VanDerWaalsContact CG2-O 3.24Å; V796-R853 WeakPolarHBondContact CG2-O 3.39Å |
| 797 | T | 90 | Very high | 88.2 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 52% | 0.521 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -84.7 | -15.4 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | T793 K794 Y795 Q799 | T793-T797 HydrophobicContact CG2-CG2 4.35Å; T793-T797 WeakPolarHBondContact O-CB 3.32Å; T793-T797 VanDerWaalsContact O-CG2 3.31Å; T793-T797 WeakPolarHBondContact O-CG2 3.4Å; T793-T797 PolarHBondContact O-N 3.41Å; T793-T797 PolarHBondContact O-OG1 2.76Å; K794-T797 PolarHBondContact O-OG1 3.33Å; Y795-T797 VanDerWaalsContact C-N 3.33Å; Y795-T797 PolarHBondContact O-N 3.04Å; T797-Q799 PolarHBondContact O-NE2 3.29Å |
| 798 | E | 87.3 | Confident | 88.2 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | trans | -68.1 | 131.6 | -174.1 | -171.5 | 56.3 | -96.8 | 0 | 0 | 111.4 | K794 Y795 D800 V803 A804 R807 | K794-E798 WeakPolarHBondContact O-CB 3.42Å; K794-E798 PolarHBondContact O-N 3.3Å; Y795-E798 PolarHBondContact O-N 2.79Å; E798-D800 PolarHBondContact OE1-N 3.3Å; E798-V803 HydrophobicContact CG-CB 3.8Å; E798-V803 HydrophobicContact CG-CG1 3.85Å; E798-V803 VanDerWaalsContact OE2-CG1 3.28Å; E798-V803 WeakPolarHBondContact OE2-CG1 3.46Å; E798-A804 HydrophobicContact CB-CB 4.16Å; E798-A804 HydrophobicContact CG-CB 4.01Å; E798-R807 IonicContact OE2-CZ 3.17Å; E798-R807 VanDerWaalsContact OE2-CZ 3.25Å; E798-R807 IonicContact OE2-NE 2.65Å; E798-R807 PolarHBondContact OE2-NE 3.22Å; E798-R807 IonicContact OE2-NH2 3.97Å; E798-R807 PolarHBondContact OE2-NH2 3.48Å | ||
| 799 | Q | 84.9 | Confident | 87.9 | Confident | 165 Ų | 165 | 53.3 Ų | 53.3 | 77% | 0.771 | 27% | 0.274 | S | S | * | . | trans | -101.7 | -25.3 | -176.7 | -58.9 | -61.4 | -42.1 | 0 | 0 | 111.7 | T797 P801 | T797-Q799 PolarHBondContact O-NE2 3.29Å; Q799-P801 WeakPolarHBondContact O-CD 3.4Å | ||
| 800 | D | 86.2 | Confident | 87.8 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | trans | -78.4 | 117.4 | 176.4 | -177.1 | -8.7 | 0 | 0 | 0 | 109.9 | E798 K802 V803 A804 | E798-D800 PolarHBondContact OE1-N 3.3Å; D800-K802 PolarHBondContact O-N 2.98Å; D800-K802 PolarHBondContact OD1-N 2.96Å; D800-V803 HydrophobicContact CB-CB 4.12Å; D800-V803 HydrophobicContact CB-CG2 3.95Å; D800-V803 PolarHBondContact O-N 3.09Å; D800-V803 WeakPolarHBondContact OD2-CG2 3.45Å; D800-A804 VanDerWaalsContact O-CB 3.3Å; D800-A804 WeakPolarHBondContact O-CB 3.26Å; D800-A804 PolarHBondContact O-N 2.86Å | ||
| 801 | P | 84.2 | Confident | 87.8 | Confident | 78 Ų | 78 | 47.4 Ų | 47.4 | 51% | 0.506 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.5 | -32.8 | -178.4 | 23.7 | -35 | 0 | 0 | 0 | 113.4 | Q799 D805 P861 | Q799-P801 WeakPolarHBondContact O-CD 3.4Å; P801-D805 PolarHBondContact O-N 3.37Å; P801-P861 HydrophobicContact CB-CB 4.35Å; P801-P861 HydrophobicContact CB-CG 3.86Å; P801-P861 WeakPolarHBondContact O-CB 3.46Å |
| 802 | K | 84.9 | Confident | 87.8 | Confident | 163 Ų | 163 | 50.2 Ų | 50.2 | 71% | 0.709 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.3 | -44.3 | 178.7 | -69.6 | -176.3 | 176.8 | -176.6 | 0 | 111.3 | D800 D805 V806 | D800-K802 PolarHBondContact O-N 2.98Å; D800-K802 PolarHBondContact OD1-N 2.96Å; K802-D805 PolarHBondContact O-N 3.1Å; K802-V806 WeakPolarHBondContact O-CG2 3.37Å; K802-V806 PolarHBondContact O-N 2.89Å |
| 803 | V | 86.3 | Confident | 87.6 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.9 | -38.3 | 178.6 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | L710 E798 D800 D805 V806 R807 | L710-V803 HydrophobicContact CD2-CG2 3.95Å; E798-V803 HydrophobicContact CG-CB 3.8Å; E798-V803 HydrophobicContact CG-CG1 3.85Å; E798-V803 VanDerWaalsContact OE2-CG1 3.28Å; E798-V803 WeakPolarHBondContact OE2-CG1 3.46Å; D800-V803 HydrophobicContact CB-CB 4.12Å; D800-V803 HydrophobicContact CB-CG2 3.95Å; D800-V803 PolarHBondContact O-N 3.09Å; D800-V803 WeakPolarHBondContact OD2-CG2 3.45Å; V803-D805 VanDerWaalsContact C-N 3.27Å; V803-D805 PolarHBondContact O-N 2.95Å; V803-V806 PolarHBondContact O-N 2.73Å; V803-R807 HydrophobicContact CG1-CG 4.21Å; V803-R807 WeakPolarHBondContact O-CB 3.36Å; V803-R807 VanDerWaalsContact O-CG 3.29Å; V803-R807 WeakPolarHBondContact O-CG 3.2Å; V803-R807 PolarHBondContact O-N 2.7Å |
| 804 | A | 87.3 | Confident | 87.6 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y795 E798 D800 R807 G808 P861 | Y795-A804 WeakPolarHBondContact CD2-O 3.4Å; Y795-A804 VanDerWaalsContact CE2-O 3.29Å; Y795-A804 WeakPolarHBondContact CE2-O 3.3Å; E798-A804 HydrophobicContact CB-CB 4.16Å; E798-A804 HydrophobicContact CG-CB 4.01Å; D800-A804 VanDerWaalsContact O-CB 3.3Å; D800-A804 WeakPolarHBondContact O-CB 3.26Å; D800-A804 PolarHBondContact O-N 2.86Å; A804-R807 PolarHBondContact O-N 3.43Å; A804-G808 PolarHBondContact O-N 3.28Å; A804-P861 HydrophobicContact CB-CB 4.22Å; A804-P861 HydrophobicContact CB-CG 3.88Å |
| 805 | D | 86.2 | Confident | 87.6 | Confident | 54 Ų | 54 | 48 Ų | 48 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.5 | -50.2 | 175.7 | -165.7 | 57.6 | 0 | 0 | 0 | 112.2 | P801 K802 V803 R807 G808 I809 P861 G862 | P801-D805 PolarHBondContact O-N 3.37Å; K802-D805 PolarHBondContact O-N 3.1Å; V803-D805 VanDerWaalsContact C-N 3.27Å; V803-D805 PolarHBondContact O-N 2.95Å; D805-R807 VanDerWaalsContact C-N 3.32Å; D805-R807 PolarHBondContact O-N 3.49Å; D805-G808 PolarHBondContact O-N 2.95Å; D805-G808 VanDerWaalsContact O-N 3.14Å; D805-I809 WeakPolarHBondContact O-CG1 3.39Å; D805-I809 PolarHBondContact O-N 3.29Å; D805-P861 HydrophobicContact CB-CB 4Å; D805-G862 WeakPolarHBondContact OD1-CA 3.44Å; D805-G862 PolarHBondContact OD1-N 3.49Å |
| 806 | V | 85.3 | Confident | 87.5 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | P705 V709 K802 V803 G808 I809 L810 | P705-V806 HydrophobicContact CB-CB 4.48Å; P705-V806 HydrophobicContact CB-CG1 3.51Å; V709-V806 HydrophobicContact CG1-CB 4.46Å; V709-V806 HydrophobicContact CG1-CG1 3.86Å; V709-V806 HydrophobicContact CG1-CG2 3.67Å; K802-V806 WeakPolarHBondContact O-CG2 3.37Å; K802-V806 PolarHBondContact O-N 2.89Å; V803-V806 PolarHBondContact O-N 2.73Å; V806-G808 VanDerWaalsContact C-N 3.35Å; V806-G808 PolarHBondContact O-N 3.27Å; V806-I809 WeakPolarHBondContact O-CB 3.35Å; V806-I809 PolarHBondContact O-N 3.33Å; V806-L810 WeakPolarHBondContact O-CG 3.32Å; V806-L810 PolarHBondContact O-N 2.87Å |
| 807 | R | 87.2 | Confident | 87.6 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 175.9 | -72.9 | -173 | -167.6 | -69.1 | 3.4 | 112.3 | K794 Y795 E798 V803 A804 D805 I809 L810 V811 | K794-R807 VanDerWaalsContact O-CD 3.29Å; K794-R807 WeakPolarHBondContact O-CD 3.34Å; Y795-R807 HydrophobicContact CD2-CB 3.97Å; Y795-R807 HydrophobicContact CG-CB 4.48Å; E798-R807 IonicContact OE2-CZ 3.17Å; E798-R807 VanDerWaalsContact OE2-CZ 3.25Å; E798-R807 IonicContact OE2-NE 2.65Å; E798-R807 PolarHBondContact OE2-NE 3.22Å; E798-R807 IonicContact OE2-NH2 3.97Å; E798-R807 PolarHBondContact OE2-NH2 3.48Å; V803-R807 HydrophobicContact CG1-CG 4.21Å; V803-R807 WeakPolarHBondContact O-CB 3.36Å; V803-R807 VanDerWaalsContact O-CG 3.29Å; V803-R807 WeakPolarHBondContact O-CG 3.2Å; V803-R807 PolarHBondContact O-N 2.7Å; A804-R807 PolarHBondContact O-N 3.43Å; D805-R807 VanDerWaalsContact C-N 3.32Å; D805-R807 PolarHBondContact O-N 3.49Å; R807-I809 VanDerWaalsContact C-N 3.31Å; R807-I809 PolarHBondContact O-N 3.5Å; R807-L810 WeakPolarHBondContact O-CB 3.32Å; R807-L810 PolarHBondContact O-N 3.17Å; R807-L810 VanDerWaalsContact O-N 3.17Å; R807-V811 WeakPolarHBondContact O-CG2 3.39Å; R807-V811 PolarHBondContact O-N 3.05Å |
| 808 | G | 87.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -38.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A804 D805 V806 V811 K812 G862 A866 | A804-G808 PolarHBondContact O-N 3.28Å; D805-G808 PolarHBondContact O-N 2.95Å; D805-G808 VanDerWaalsContact O-N 3.14Å; V806-G808 VanDerWaalsContact C-N 3.35Å; V806-G808 PolarHBondContact O-N 3.27Å; G808-V811 PolarHBondContact O-N 2.9Å; G808-K812 PolarHBondContact O-N 3.39Å; G808-G862 WeakPolarHBondContact CA-O 3.33Å; G808-A866 PolarHBondContact O-N 2.84Å |
| 809 | I | 86.3 | Confident | 87.9 | Confident | 58 Ų | 58 | 41 Ų | 41 | 30% | 0.297 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 171.2 | -63 | 168.6 | 0 | 0 | 0 | 111 | D805 V806 R807 K812 Q813 A865 | D805-I809 WeakPolarHBondContact O-CG1 3.39Å; D805-I809 PolarHBondContact O-N 3.29Å; V806-I809 WeakPolarHBondContact O-CB 3.35Å; V806-I809 PolarHBondContact O-N 3.33Å; R807-I809 VanDerWaalsContact C-N 3.31Å; R807-I809 PolarHBondContact O-N 3.5Å; I809-K812 VanDerWaalsContact O-CB 3.29Å; I809-K812 WeakPolarHBondContact O-CB 3.26Å; I809-K812 PolarHBondContact O-N 3.48Å; I809-Q813 HydrophobicContact CG2-CG 4.26Å; I809-Q813 WeakPolarHBondContact O-CB 3.26Å; I809-Q813 VanDerWaalsContact O-CG 3.24Å; I809-Q813 WeakPolarHBondContact O-CG 3.24Å; I809-Q813 PolarHBondContact O-N 2.81Å; I809-A865 HydrophobicContact CG1-CB 3.83Å |
| 810 | L | 87.4 | Confident | 88 | Confident | 21 Ų | 21 | 34.7 Ų | 34.7 | 11% | 0.11 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.2 | -68.5 | 172.2 | 0 | 0 | 0 | 111.8 | P705 F791 V806 R807 K812 Q813 V814 | P705-L810 HydrophobicContact CB-CD1 4.27Å; F791-L810 HydrophobicContact CD1-CB 3.85Å; F791-L810 HydrophobicContact CE1-CB 3.99Å; F791-L810 HydrophobicContact CE1-CD1 4.28Å; V806-L810 WeakPolarHBondContact O-CG 3.32Å; V806-L810 PolarHBondContact O-N 2.87Å; R807-L810 WeakPolarHBondContact O-CB 3.32Å; R807-L810 PolarHBondContact O-N 3.17Å; R807-L810 VanDerWaalsContact O-N 3.17Å; L810-K812 VanDerWaalsContact C-N 3.3Å; L810-K812 PolarHBondContact O-N 2.9Å; L810-Q813 WeakPolarHBondContact O-CB 3.39Å; L810-Q813 PolarHBondContact O-N 3.23Å; L810-V814 WeakPolarHBondContact O-CG2 3.16Å; L810-V814 PolarHBondContact O-N 3.18Å |
| 811 | V | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | Y788 F791 V792 Y795 R807 G808 T815 F854 A866 | Y788-V811 HydrophobicContact CE2-CG1 3.96Å; F791-V811 HydrophobicContact CB-CG2 4.16Å; V792-V811 HydrophobicContact CG2-CG1 4.07Å; V792-V811 HydrophobicContact CG2-CG2 4.25Å; Y795-V811 HydrophobicContact CD1-CG2 4.31Å; Y795-V811 HydrophobicContact CG-CG2 4.22Å; R807-V811 WeakPolarHBondContact O-CG2 3.39Å; R807-V811 PolarHBondContact O-N 3.05Å; G808-V811 PolarHBondContact O-N 2.9Å; V811-T815 WeakPolarHBondContact O-CB 3.15Å; V811-T815 PolarHBondContact O-N 3.28Å; V811-T815 PolarHBondContact O-OG1 3.45Å; V811-F854 HydrophobicContact CG1-CZ 3.91Å; V811-A866 HydrophobicContact CB-CB 4.21Å; V811-A866 HydrophobicContact CG1-CB 4.01Å |
| 812 | K | 89.9 | Confident | 88.4 | Confident | 69 Ų | 69 | 27.5 Ų | 27.5 | 30% | 0.3 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 173.3 | -177.5 | -175.7 | 173 | -102.9 | 0 | 111.6 | G808 I809 L810 V814 T815 D816 A865 A868 | G808-K812 PolarHBondContact O-N 3.39Å; I809-K812 VanDerWaalsContact O-CB 3.29Å; I809-K812 WeakPolarHBondContact O-CB 3.26Å; I809-K812 PolarHBondContact O-N 3.48Å; L810-K812 VanDerWaalsContact C-N 3.3Å; L810-K812 PolarHBondContact O-N 2.9Å; K812-V814 PolarHBondContact O-N 3.28Å; K812-T815 CarbonylContact O-C 3.54Å; K812-T815 WeakPolarHBondContact O-CB 3.4Å; K812-T815 PolarHBondContact O-N 3.46Å; K812-T815 VanDerWaalsContact O-N 3.16Å; K812-D816 IonicContact NZ-OD2 3.77Å; K812-D816 PolarHBondContact NZ-OD2 3.39Å; K812-D816 WeakPolarHBondContact O-CB 3.48Å; K812-D816 PolarHBondContact O-N 2.94Å; K812-A865 HydrophobicContact CB-CB 4.44Å; K812-A865 VanDerWaalsContact CB-O 3.25Å; K812-A865 WeakPolarHBondContact CB-O 3.42Å; K812-A865 HydrophobicContact CD-CB 4.25Å; K812-A865 WeakPolarHBondContact CD-O 3.41Å; K812-A865 WeakPolarHBondContact CG-O 3.49Å; K812-A868 HydrophobicContact CD-CB 4.42Å |
| 813 | Q | 87.3 | Confident | 88.3 | Confident | 55 Ų | 55 | 25.1 Ų | 25.1 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -57.3 | -46.4 | -177.5 | -81.5 | -177.6 | 6.2 | 0 | 0 | 112.3 | I738 I809 L810 D816 L817 | I738-Q813 HydrophobicContact CB-CB 4.38Å; I738-Q813 HydrophobicContact CB-CG 4.27Å; I738-Q813 HydrophobicContact CD1-CB 3.88Å; I738-Q813 HydrophobicContact CG1-CB 3.68Å; I738-Q813 HydrophobicContact CG1-CG 4.04Å; I738-Q813 HydrophobicContact CG2-CB 4.39Å; I738-Q813 HydrophobicContact CG2-CG 3.78Å; I809-Q813 HydrophobicContact CG2-CG 4.26Å; I809-Q813 WeakPolarHBondContact O-CB 3.26Å; I809-Q813 VanDerWaalsContact O-CG 3.24Å; I809-Q813 WeakPolarHBondContact O-CG 3.24Å; I809-Q813 PolarHBondContact O-N 2.81Å; L810-Q813 WeakPolarHBondContact O-CB 3.39Å; L810-Q813 PolarHBondContact O-N 3.23Å; Q813-D816 WeakPolarHBondContact O-CB 3.49Å; Q813-D816 PolarHBondContact O-N 3.14Å; Q813-L817 WeakPolarHBondContact O-CG 3.06Å; Q813-L817 PolarHBondContact O-N 3.21Å; Q813-L817 VanDerWaalsContact O-N 3.08Å |
| 814 | V | 90.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L701 V784 Y788 F791 L810 K812 D816 L817 I818 | L701-V814 HydrophobicContact CD1-CG2 4.4Å; V784-V814 HydrophobicContact CG1-CG1 3.58Å; Y788-V814 HydrophobicContact CD2-CB 4.3Å; Y788-V814 HydrophobicContact CD2-CG1 3.83Å; F791-V814 HydrophobicContact CD1-CG2 4.33Å; F791-V814 HydrophobicContact CD2-CG2 3.69Å; F791-V814 HydrophobicContact CE1-CG2 4.27Å; F791-V814 HydrophobicContact CE2-CG2 3.64Å; F791-V814 HydrophobicContact CG-CG2 4.06Å; F791-V814 HydrophobicContact CZ-CG2 3.93Å; L810-V814 WeakPolarHBondContact O-CG2 3.16Å; L810-V814 PolarHBondContact O-N 3.18Å; K812-V814 PolarHBondContact O-N 3.28Å; V814-D816 VanDerWaalsContact C-N 3.28Å; V814-D816 PolarHBondContact O-N 2.85Å; V814-L817 WeakPolarHBondContact O-CB 3.3Å; V814-L817 PolarHBondContact O-N 3.33Å; V814-I818 PolarHBondContact O-N 3.17Å |
| 815 | T | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 173.7 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | Y788 V811 K812 L817 I818 T819 I847 G869 F873 | Y788-T815 WeakPolarHBondContact CE2-OG1 3.49Å; V811-T815 WeakPolarHBondContact O-CB 3.15Å; V811-T815 PolarHBondContact O-N 3.28Å; V811-T815 PolarHBondContact O-OG1 3.45Å; K812-T815 CarbonylContact O-C 3.54Å; K812-T815 WeakPolarHBondContact O-CB 3.4Å; K812-T815 PolarHBondContact O-N 3.46Å; K812-T815 VanDerWaalsContact O-N 3.16Å; T815-L817 VanDerWaalsContact C-N 3.33Å; T815-L817 PolarHBondContact O-N 3.39Å; T815-I818 PolarHBondContact O-N 2.87Å; T815-T819 VanDerWaalsContact O-CB 3.31Å; T815-T819 WeakPolarHBondContact O-CB 3.28Å; T815-T819 PolarHBondContact O-N 2.63Å; T815-T819 PolarHBondContact O-OG1 3.25Å; T815-I847 HydrophobicContact CG2-CD1 4.16Å; T815-G869 VanDerWaalsContact CG2-C 3.43Å; T815-G869 WeakPolarHBondContact CG2-O 3.11Å; T815-F873 HydrophobicContact CG2-CB 3.82Å; T815-F873 HydrophobicContact CG2-CG 4.5Å |
| 816 | D | 89.2 | Confident | 87 | Confident | 38 Ų | 38 | 24 Ų | 24 | 20% | 0.203 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -33.6 | 178.9 | -78.1 | -20.3 | 0 | 0 | 0 | 111.8 | K812 Q813 V814 T819 K820 | K812-D816 IonicContact NZ-OD2 3.77Å; K812-D816 PolarHBondContact NZ-OD2 3.39Å; K812-D816 WeakPolarHBondContact O-CB 3.48Å; K812-D816 PolarHBondContact O-N 2.94Å; Q813-D816 WeakPolarHBondContact O-CB 3.49Å; Q813-D816 PolarHBondContact O-N 3.14Å; V814-D816 VanDerWaalsContact C-N 3.28Å; V814-D816 PolarHBondContact O-N 2.85Å; D816-T819 CarbonylContact O-C 3.55Å; D816-T819 WeakPolarHBondContact O-CB 3.28Å; D816-T819 PolarHBondContact O-N 3.38Å; D816-K820 WeakPolarHBondContact O-CB 3.48Å; D816-K820 VanDerWaalsContact O-CG 3.31Å; D816-K820 WeakPolarHBondContact O-CG 3.48Å; D816-K820 PolarHBondContact O-N 3.38Å |
| 817 | L | 90.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63 | -49.8 | 173.9 | -67 | -179.3 | 0 | 0 | 0 | 111.9 | L701 I738 Q741 G742 Y745 Q813 V814 T815 T819 K820 T821 | L701-L817 HydrophobicContact CD1-CD1 4Å; L701-L817 HydrophobicContact CD2-CD1 3.34Å; L701-L817 HydrophobicContact CG-CD1 4.29Å; I738-L817 HydrophobicContact CD1-CD1 3.47Å; I738-L817 VanDerWaalsContact CD1-CD1 3.47Å; I738-L817 HydrophobicContact CD1-CD2 3.92Å; I738-L817 HydrophobicContact CD1-CG 3.67Å; I738-L817 HydrophobicContact CG1-CD1 4.38Å; I738-L817 HydrophobicContact CG1-CD2 3.95Å; I738-L817 HydrophobicContact CG1-CG 4.07Å; Q741-L817 HydrophobicContact CB-CD2 4.25Å; G742-L817 VanDerWaalsContact CA-CD2 3.48Å; Y745-L817 HydrophobicContact CD2-CB 4.25Å; Y745-L817 HydrophobicContact CD2-CD1 4.15Å; Y745-L817 HydrophobicContact CD2-CD2 3.7Å; Y745-L817 HydrophobicContact CD2-CG 4.25Å; Y745-L817 HydrophobicContact CE2-CB 4.41Å; Y745-L817 HydrophobicContact CE2-CD1 3.69Å; Y745-L817 HydrophobicContact CE2-CD2 4.1Å; Y745-L817 HydrophobicContact CE2-CG 4.29Å; Q813-L817 WeakPolarHBondContact O-CG 3.06Å; Q813-L817 PolarHBondContact O-N 3.21Å; Q813-L817 VanDerWaalsContact O-N 3.08Å; V814-L817 WeakPolarHBondContact O-CB 3.3Å; V814-L817 PolarHBondContact O-N 3.33Å; T815-L817 VanDerWaalsContact C-N 3.33Å; T815-L817 PolarHBondContact O-N 3.39Å; L817-T819 VanDerWaalsContact C-N 3.27Å; L817-T819 PolarHBondContact O-N 3.06Å; L817-K820 PolarHBondContact O-N 2.88Å; L817-T821 PolarHBondContact O-N 3.32Å |
| 818 | I | 91.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 174.4 | -57.7 | 175.6 | 0 | 0 | 0 | 108.6 | L781 V784 M785 V814 T815 K820 T821 A843 I847 F873 | L781-I818 HydrophobicContact CD2-CG1 4.39Å; L781-I818 HydrophobicContact CD2-CG2 4.37Å; V784-I818 HydrophobicContact CB-CG1 4.46Å; V784-I818 HydrophobicContact CG1-CD1 4.1Å; V784-I818 HydrophobicContact CG1-CG1 3.7Å; M785-I818 HydrophobicContact CG-CD1 4.31Å; V814-I818 PolarHBondContact O-N 3.17Å; T815-I818 PolarHBondContact O-N 2.87Å; I818-K820 VanDerWaalsContact C-N 3.29Å; I818-K820 PolarHBondContact O-N 3.32Å; I818-T821 PolarHBondContact O-N 3.44Å; I818-T821 VanDerWaalsContact O-N 3.17Å; I818-T821 PolarHBondContact O-OG1 2.97Å; I818-A843 HydrophobicContact CG2-CB 4.21Å; I818-I847 HydrophobicContact CD1-CD1 4.34Å; I818-F873 HydrophobicContact CG2-CD2 4.24Å; I818-F873 HydrophobicContact CG2-CE2 3.8Å |
| 819 | T | 91.1 | Very high | 82.9 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.5 | -37.1 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | T815 D816 L817 T822 F873 R876 | T815-T819 VanDerWaalsContact O-CB 3.31Å; T815-T819 WeakPolarHBondContact O-CB 3.28Å; T815-T819 PolarHBondContact O-N 2.63Å; T815-T819 PolarHBondContact O-OG1 3.25Å; D816-T819 CarbonylContact O-C 3.55Å; D816-T819 WeakPolarHBondContact O-CB 3.28Å; D816-T819 PolarHBondContact O-N 3.38Å; L817-T819 VanDerWaalsContact C-N 3.27Å; L817-T819 PolarHBondContact O-N 3.06Å; T819-T822 WeakPolarHBondContact O-CB 3.29Å; T819-T822 PolarHBondContact O-N 3.12Å; T819-T822 PolarHBondContact O-OG1 2.75Å; T819-F873 WeakPolarHBondContact OG1-CA 3.45Å; T819-F873 WeakPolarHBondContact OG1-CB 3.5Å; T819-R876 HydrophobicContact CG2-CB 4.12Å; T819-R876 HydrophobicContact CG2-CG 3.36Å |
| 820 | K | 88.7 | Confident | 81.6 | Confident | 33 Ų | 33 | 38.5 Ų | 38.5 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -36.3 | 178.5 | -80.1 | 177.9 | -179.6 | -177.3 | 0 | 112.7 | T739 G742 D816 L817 I818 T822 R823 | T739-K820 PolarHBondContact O-NZ 3.25Å; G742-K820 WeakPolarHBondContact O-CD 3.48Å; D816-K820 WeakPolarHBondContact O-CB 3.48Å; D816-K820 VanDerWaalsContact O-CG 3.31Å; D816-K820 WeakPolarHBondContact O-CG 3.48Å; D816-K820 PolarHBondContact O-N 3.38Å; L817-K820 PolarHBondContact O-N 2.88Å; I818-K820 VanDerWaalsContact C-N 3.29Å; I818-K820 PolarHBondContact O-N 3.32Å; K820-T822 PolarHBondContact O-N 2.92Å; K820-R823 WeakPolarHBondContact O-CB 3.23Å; K820-R823 VanDerWaalsContact O-CG 3.31Å; K820-R823 WeakPolarHBondContact O-CG 3.45Å; K820-R823 PolarHBondContact O-N 3.44Å; K820-R823 VanDerWaalsContact O-N 3.11Å |
| 821 | T | 89.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -29.6 | 175.9 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | Y745 A749 L780 L781 L817 I818 R823 V824 | Y745-T821 HydrophobicContact CD1-CG2 4.1Å; Y745-T821 HydrophobicContact CG-CG2 4.49Å; A749-T821 HydrophobicContact CB-CG2 4.26Å; L780-T821 HydrophobicContact CD2-CG2 4.22Å; L781-T821 HydrophobicContact CD2-CG2 3.78Å; L817-T821 PolarHBondContact O-N 3.32Å; I818-T821 PolarHBondContact O-N 3.44Å; I818-T821 VanDerWaalsContact O-N 3.17Å; I818-T821 PolarHBondContact O-OG1 2.97Å; T821-R823 PolarHBondContact O-N 3.1Å; T821-V824 WeakPolarHBondContact O-CG2 3.27Å |
| 822 | T | 87.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -67.8 | -19.1 | 179.1 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | T819 K820 V824 F825 L840 R876 M877 C880 | T819-T822 WeakPolarHBondContact O-CB 3.29Å; T819-T822 PolarHBondContact O-N 3.12Å; T819-T822 PolarHBondContact O-OG1 2.75Å; K820-T822 PolarHBondContact O-N 2.92Å; T822-V824 PolarHBondContact O-N 3.46Å; T822-V824 VanDerWaalsContact O-N 3.1Å; T822-F825 PolarHBondContact O-N 2.95Å; T822-F825 VanDerWaalsContact O-N 3.09Å; T822-L840 HydrophobicContact CG2-CD2 3.88Å; T822-R876 VanDerWaalsContact OG1-CB 3.31Å; T822-R876 WeakPolarHBondContact OG1-CB 3.42Å; T822-M877 HydrophobicContact CG2-CE 3.32Å; T822-C880 PolarHBondContact O-SG 3.28Å |
| 823 | R | 84.1 | Confident | 79.1 | Confident | 113 Ų | 113 | 41.6 Ų | 41.6 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -64.8 | -21 | -173.8 | -58 | -172.8 | 159.6 | -174.2 | -3.8 | 114.4 | E746 K820 T821 F825 S826 R876 | E746-R823 IonicContact OE2-NH1 3.24Å; K820-R823 WeakPolarHBondContact O-CB 3.23Å; K820-R823 VanDerWaalsContact O-CG 3.31Å; K820-R823 WeakPolarHBondContact O-CG 3.45Å; K820-R823 PolarHBondContact O-N 3.44Å; K820-R823 VanDerWaalsContact O-N 3.11Å; T821-R823 PolarHBondContact O-N 3.1Å; R823-F825 PolarHBondContact O-N 2.9Å; R823-S826 PolarHBondContact O-N 3.27Å; R823-R876 VanDerWaalsContact CB-NH2 3.33Å; R823-R876 VanDerWaalsContact CG-NH2 3.26Å |
| 824 | V | 81.3 | Confident | 78.6 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -64.5 | -33.3 | 177.6 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | A749 Q750 A753 T821 T822 S830 | A749-V824 HydrophobicContact CB-CG2 3.66Å; Q750-V824 HydrophobicContact CB-CG2 4.38Å; Q750-V824 HydrophobicContact CG-CB 4.5Å; Q750-V824 HydrophobicContact CG-CG1 4.17Å; Q750-V824 HydrophobicContact CG-CG2 3.6Å; A753-V824 HydrophobicContact CB-CB 4.4Å; A753-V824 HydrophobicContact CB-CG1 3.39Å; T821-V824 WeakPolarHBondContact O-CG2 3.27Å; T822-V824 PolarHBondContact O-N 3.46Å; T822-V824 VanDerWaalsContact O-N 3.1Å; V824-S830 WeakPolarHBondContact O-CB 3.32Å; V824-S830 PolarHBondContact O-OG 3.48Å |
| 825 | F | 81.1 | Confident | 78.2 | Confident | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -85.3 | -10.3 | -176.7 | -52 | -63 | 0 | 0 | 0 | 114.5 | A753 F777 T822 R823 Q827 M832 C836 L840 C880 | A753-F825 HydrophobicContact CB-CE1 4.13Å; F777-F825 HydrophobicContact CE1-CE2 4.35Å; F777-F825 HydrophobicContact CE2-CE2 4.04Å; F777-F825 HydrophobicContact CE2-CZ 4.04Å; F777-F825 AromaticContact CZ-CE2 3.73Å; F777-F825 HydrophobicContact CZ-CE2 3.73Å; F777-F825 HydrophobicContact CZ-CZ 4.1Å; T822-F825 PolarHBondContact O-N 2.95Å; T822-F825 VanDerWaalsContact O-N 3.09Å; R823-F825 PolarHBondContact O-N 2.9Å; F825-Q827 PolarHBondContact O-N 3.2Å; F825-M832 HydrophobicContact CD1-CB 3.98Å; F825-M832 HydrophobicContact CD1-CG 4.07Å; F825-M832 HydrophobicContact CD2-SD 4.44Å; F825-M832 HydrophobicContact CE1-CB 4.47Å; F825-M832 HydrophobicContact CE1-CG 4.23Å; F825-M832 HydrophobicContact CG-CB 4.42Å; F825-M832 HydrophobicContact CG-CG 4.33Å; F825-M832 HydrophobicContact CG-SD 4.36Å; F825-C836 HydrophobicContact CE1-CB 4.27Å; F825-C836 HydrophobicContact CZ-CB 3.84Å; F825-L840 HydrophobicContact CD2-CD1 4Å; F825-L840 HydrophobicContact CE2-CD1 4.01Å; F825-C880 HydrophobicContact CB-CB 4.34Å |
| 826 | S | 68.3 | Low | 77.9 | Confident | 46 Ų | 46 | 43 Ų | 43 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -78.2 | -2.8 | 178.6 | -48.3 | 0 | 0 | 0 | 0 | 114.1 | R823 R876 | R823-S826 PolarHBondContact O-N 3.27Å; S826-R876 PolarHBondContact OG-NH2 3.16Å |
| 827 | Q | 62.7 | Low | 77.7 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -84.3 | 137.1 | 179.8 | -62.7 | -177.7 | 11.3 | 0 | 0 | 110 | F825 K829 S830 | F825-Q827 PolarHBondContact O-N 3.2Å; Q827-K829 PolarHBondContact O-N 2.9Å; Q827-S830 PolarHBondContact O-N 3.45Å |
| 828 | P | 56.9 | Low | 77.5 | Confident | 142 Ų | 142 | 45 Ų | 45 | 92% | 0.922 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.2 | -175.2 | 22.3 | -32.5 | 0 | 0 | 0 | 115.1 | ||
| 829 | K | 54 | Low | 77.4 | Confident | 181 Ų | 181 | 45.1 Ų | 45.1 | 79% | 0.787 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -1.1 | 177.6 | -63.8 | -176.3 | 178.3 | -178.5 | 0 | 113.7 | Q827 | Q827-K829 PolarHBondContact O-N 2.9Š|
| 830 | S | 60.7 | Low | 77.3 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | trans | -90 | 113 | 179.5 | -167.4 | 0 | 0 | 0 | 0 | 108.9 | V824 Q827 | V824-S830 WeakPolarHBondContact O-CB 3.32Å; V824-S830 PolarHBondContact O-OG 3.48Å; Q827-S830 PolarHBondContact O-N 3.45Å | ||
| 831 | V | 62.8 | Low | 77.3 | Confident | 108 Ų | 108 | 44.1 Ų | 44.1 | 66% | 0.655 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -84.6 | 119.2 | 166.9 | -177.6 | 0 | 0 | 0 | 0 | 106.7 | T833 | V831-T833 PolarHBondContact O-N 2.69Š|
| 832 | M | 74.7 | Confident | 77.4 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 17% | 0.172 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 119.1 | 170.7 | -174.3 | 168.2 | 63 | 0 | 0 | 107.3 | F825 C836 E837 L840 I881 | F825-M832 HydrophobicContact CD1-CB 3.98Å; F825-M832 HydrophobicContact CD1-CG 4.07Å; F825-M832 HydrophobicContact CD2-SD 4.44Å; F825-M832 HydrophobicContact CE1-CB 4.47Å; F825-M832 HydrophobicContact CE1-CG 4.23Å; F825-M832 HydrophobicContact CG-CB 4.42Å; F825-M832 HydrophobicContact CG-CG 4.33Å; F825-M832 HydrophobicContact CG-SD 4.36Å; M832-C836 HydrophobicContact CG-CB 4.08Å; M832-E837 HydrophobicContact CE-CB 3.7Å; M832-E837 HydrophobicContact CE-CG 3.57Å; M832-E837 HydrophobicContact CG-CB 4.16Å; M832-E837 HydrophobicContact SD-CB 4.11Å; M832-E837 HydrophobicContact SD-CG 4.49Å; M832-L840 HydrophobicContact SD-CD1 3.73Å; M832-I881 HydrophobicContact CE-CG1 4.45Å |
| 833 | T | 76.4 | Confident | 77.6 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 151.2 | 175.2 | 59 | 0 | 0 | 0 | 0 | 109.5 | V773 V831 G835 C836 E837 | V773-T833 HydrophobicContact CG1-CG2 4.31Å; V831-T833 PolarHBondContact O-N 2.69Å; T833-G835 PolarHBondContact O-N 3.34Å; T833-C836 PolarHBondContact O-N 2.91Å; T833-C836 PolarHBondContact OG1-N 3.1Å; T833-C836 PolarHBondContact OG1-SG 2.9Å; T833-C836 VanDerWaalsContact OG1-SG 3.38Å; T833-E837 PolarHBondContact O-N 2.79Å |
| 834 | S | 76.6 | Confident | 78 | Confident | 73 Ų | 73 | 41.9 Ų | 41.9 | 51% | 0.51 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -53.4 | -36.3 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | E837 A838 | S834-E837 PolarHBondContact O-N 3.47Å; S834-A838 PolarHBondContact O-N 3.27Å |
| 835 | G | 82.7 | Confident | 78.5 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T833 V839 | T833-G835 PolarHBondContact O-N 3.34Å; G835-V839 WeakPolarHBondContact O-CG2 3.28Å; G835-V839 PolarHBondContact O-N 2.73Å |
| 836 | C | 84.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 175.4 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | F777 F825 M832 T833 V839 L840 | F777-C836 HydrophobicContact CD1-CB 4.25Å; F825-C836 HydrophobicContact CE1-CB 4.27Å; F825-C836 HydrophobicContact CZ-CB 3.84Å; M832-C836 HydrophobicContact CG-CB 4.08Å; T833-C836 PolarHBondContact O-N 2.91Å; T833-C836 PolarHBondContact OG1-N 3.1Å; T833-C836 PolarHBondContact OG1-SG 2.9Å; T833-C836 VanDerWaalsContact OG1-SG 3.38Å; C836-V839 PolarHBondContact O-N 2.96Å; C836-L840 WeakPolarHBondContact O-CG 3.42Å; C836-L840 PolarHBondContact O-N 2.86Å |
| 837 | E | 84.5 | Confident | 80.3 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.9 | -174.3 | 166.7 | -152.6 | 0 | 0 | 111.8 | M832 T833 S834 V839 L840 I841 T897 | M832-E837 HydrophobicContact CE-CB 3.7Å; M832-E837 HydrophobicContact CE-CG 3.57Å; M832-E837 HydrophobicContact CG-CB 4.16Å; M832-E837 HydrophobicContact SD-CB 4.11Å; M832-E837 HydrophobicContact SD-CG 4.49Å; T833-E837 PolarHBondContact O-N 2.79Å; S834-E837 PolarHBondContact O-N 3.47Å; E837-V839 VanDerWaalsContact C-N 3.34Å; E837-V839 PolarHBondContact O-N 3.47Å; E837-L840 PolarHBondContact O-N 3.45Å; E837-I841 HydrophobicContact CG-CD1 4.02Å; E837-I841 WeakPolarHBondContact O-CG1 3.45Å; E837-I841 PolarHBondContact O-N 2.94Å; E837-T897 HydrophobicContact CG-CG2 4.23Å; E837-T897 WeakPolarHBondContact OE1-CB 3.39Å; E837-T897 WeakPolarHBondContact OE1-CG2 3.15Å; E837-T897 PolarHBondContact OE1-OG1 2.9Å |
| 838 | A | 86.6 | Confident | 81.6 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S834 L840 I841 D842 | S834-A838 PolarHBondContact O-N 3.27Å; A838-L840 VanDerWaalsContact C-N 3.35Å; A838-L840 PolarHBondContact O-N 3.32Å; A838-I841 PolarHBondContact O-N 3.12Å; A838-D842 VanDerWaalsContact O-CG 3.26Å; A838-D842 PolarHBondContact O-N 3.48Å |
| 839 | V | 89.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | F777 R778 L781 G835 C836 E837 D842 A843 | F777-V839 HydrophobicContact CD1-CB 4.04Å; F777-V839 HydrophobicContact CD1-CG1 3.9Å; F777-V839 HydrophobicContact CE1-CG1 4.25Å; R778-V839 HydrophobicContact CB-CG2 3.78Å; R778-V839 HydrophobicContact CG-CG2 4.33Å; L781-V839 HydrophobicContact CB-CG1 4.33Å; L781-V839 HydrophobicContact CD1-CG1 3.94Å; G835-V839 WeakPolarHBondContact O-CG2 3.28Å; G835-V839 PolarHBondContact O-N 2.73Å; C836-V839 PolarHBondContact O-N 2.96Å; E837-V839 VanDerWaalsContact C-N 3.34Å; E837-V839 PolarHBondContact O-N 3.47Å; V839-D842 PolarHBondContact O-N 3.06Å; V839-A843 PolarHBondContact O-N 2.67Å |
| 840 | L | 89.2 | Confident | 85.1 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.1 | -36 | 177.2 | -69.2 | -179.5 | 0 | 0 | 0 | 112.6 | F777 L781 T822 F825 M832 C836 E837 A838 D842 A843 M844 M877 | F777-L840 HydrophobicContact CE1-CD2 3.9Å; F777-L840 HydrophobicContact CE1-CG 4.12Å; F777-L840 HydrophobicContact CZ-CD2 4.25Å; L781-L840 HydrophobicContact CD1-CD2 4.39Å; T822-L840 HydrophobicContact CG2-CD2 3.88Å; F825-L840 HydrophobicContact CD2-CD1 4Å; F825-L840 HydrophobicContact CE2-CD1 4.01Å; M832-L840 HydrophobicContact SD-CD1 3.73Å; C836-L840 WeakPolarHBondContact O-CG 3.42Å; C836-L840 PolarHBondContact O-N 2.86Å; E837-L840 PolarHBondContact O-N 3.45Å; A838-L840 VanDerWaalsContact C-N 3.35Å; A838-L840 PolarHBondContact O-N 3.32Å; L840-D842 VanDerWaalsContact C-N 3.35Å; L840-A843 PolarHBondContact O-N 3.33Å; L840-M844 WeakPolarHBondContact O-CB 3.49Å; L840-M844 PolarHBondContact O-N 3.43Å; L840-M877 HydrophobicContact CB-SD 4.28Å; L840-M877 HydrophobicContact CD1-CE 4.31Å; L840-M877 HydrophobicContact CD2-CE 4.27Å |
| 841 | I | 89 | Confident | 86.5 | Confident | 16 Ų | 16 | 33.4 Ų | 33.4 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 172.7 | -69.2 | 170.3 | 0 | 0 | 0 | 110.3 | E837 A838 M844 R845 T897 | E837-I841 HydrophobicContact CG-CD1 4.02Å; E837-I841 WeakPolarHBondContact O-CG1 3.45Å; E837-I841 PolarHBondContact O-N 2.94Å; A838-I841 PolarHBondContact O-N 3.12Å; I841-M844 PolarHBondContact O-N 3.47Å; I841-R845 HydrophobicContact CG2-CG 4.46Å; I841-R845 WeakPolarHBondContact O-CB 3.27Å; I841-R845 WeakPolarHBondContact O-CG 3.18Å; I841-R845 PolarHBondContact O-N 3.4Å; I841-T897 HydrophobicContact CD1-CG2 3.81Å |
| 842 | D | 91.5 | Very high | 87.6 | Confident | 65 Ų | 65 | 32 Ų | 32 | 35% | 0.348 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.3 | -68.7 | -22.9 | 0 | 0 | 0 | 111.2 | M785 A838 V839 L840 M844 R845 L846 | M785-D842 HydrophobicContact CE-CB 4.1Å; A838-D842 VanDerWaalsContact O-CG 3.26Å; A838-D842 PolarHBondContact O-N 3.48Å; V839-D842 PolarHBondContact O-N 3.06Å; L840-D842 VanDerWaalsContact C-N 3.35Å; D842-M844 PolarHBondContact O-N 2.88Å; D842-R845 PolarHBondContact O-N 3.29Å; D842-L846 WeakPolarHBondContact O-CB 3.26Å; D842-L846 PolarHBondContact O-N 2.94Å |
| 843 | A | 92.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M785 I818 V839 L840 L846 I847 F873 | M785-A843 HydrophobicContact CE-CB 4.12Å; M785-A843 HydrophobicContact SD-CB 4.09Å; I818-A843 HydrophobicContact CG2-CB 4.21Å; V839-A843 PolarHBondContact O-N 2.67Å; L840-A843 PolarHBondContact O-N 3.33Å; A843-L846 PolarHBondContact O-N 3.49Å; A843-I847 WeakPolarHBondContact O-CB 3.39Å; A843-I847 VanDerWaalsContact O-CG1 3.29Å; A843-I847 WeakPolarHBondContact O-CG1 3.18Å; A843-I847 PolarHBondContact O-N 3.37Å; A843-F873 HydrophobicContact CB-CZ 4.34Å |
| 844 | M | 92.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.9 | 179.5 | -179.6 | 73 | 0 | 0 | 112.1 | L840 I841 D842 L846 I847 I848 F873 M877 I900 L901 A904 | L840-M844 WeakPolarHBondContact O-CB 3.49Å; L840-M844 PolarHBondContact O-N 3.43Å; I841-M844 PolarHBondContact O-N 3.47Å; D842-M844 PolarHBondContact O-N 2.88Å; M844-L846 VanDerWaalsContact C-N 3.32Å; M844-L846 PolarHBondContact O-N 3.35Å; M844-I847 PolarHBondContact O-N 2.85Å; M844-I848 HydrophobicContact CG-CD1 3.6Å; M844-I848 HydrophobicContact CG-CG1 4.4Å; M844-I848 WeakPolarHBondContact O-CB 3.23Å; M844-I848 VanDerWaalsContact O-CG1 3.28Å; M844-I848 WeakPolarHBondContact O-CG1 3.27Å; M844-I848 PolarHBondContact O-N 2.87Å; M844-I848 HydrophobicContact SD-CD1 4.4Å; M844-F873 HydrophobicContact CB-CE1 3.78Å; M844-F873 HydrophobicContact CB-CZ 4.07Å; M844-F873 HydrophobicContact CG-CE1 4.13Å; M844-M877 HydrophobicContact SD-CG 4.49Å; M844-I900 HydrophobicContact CE-CG2 4.16Å; M844-L901 HydrophobicContact SD-CD1 3.5Å; M844-L901 VanDerWaalsContact SD-CD1 3.5Å; M844-A904 HydrophobicContact CE-CB 3.78Å; M844-A904 HydrophobicContact SD-CB 3.99Å |
| 845 | R | 92.4 | Very high | 89.4 | Confident | 143 Ų | 143 | 33.1 Ų | 33.1 | 54% | 0.54 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 176.5 | -74.3 | 173.9 | 176.4 | 171.1 | -0.5 | 111.4 | I841 D842 S849 | I841-R845 HydrophobicContact CG2-CG 4.46Å; I841-R845 WeakPolarHBondContact O-CB 3.27Å; I841-R845 WeakPolarHBondContact O-CG 3.18Å; I841-R845 PolarHBondContact O-N 3.4Å; D842-R845 PolarHBondContact O-N 3.29Å; R845-S849 WeakPolarHBondContact O-CB 3.22Å; R845-S849 PolarHBondContact O-N 3.28Å |
| 846 | L | 92.8 | Very high | 89.2 | Confident | 43 Ų | 43 | 38 Ų | 38 | 23% | 0.225 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -54.3 | 175.4 | 178.1 | 65.6 | 0 | 0 | 0 | 111.3 | M785 Y788 D842 A843 M844 I848 S849 E850 | M785-L846 HydrophobicContact CB-CD2 3.93Å; M785-L846 HydrophobicContact CE-CD2 4.35Å; M785-L846 HydrophobicContact CG-CD2 4.37Å; M785-L846 WeakPolarHBondContact O-CD2 3.14Å; Y788-L846 HydrophobicContact CD1-CD2 4.37Å; Y788-L846 HydrophobicContact CD1-CG 4.29Å; D842-L846 WeakPolarHBondContact O-CB 3.26Å; D842-L846 PolarHBondContact O-N 2.94Å; A843-L846 PolarHBondContact O-N 3.49Å; M844-L846 VanDerWaalsContact C-N 3.32Å; M844-L846 PolarHBondContact O-N 3.35Å; L846-I848 VanDerWaalsContact C-N 3.35Å; L846-I848 PolarHBondContact O-N 3.33Å; L846-S849 WeakPolarHBondContact O-CB 3.2Å; L846-S849 PolarHBondContact O-N 3.16Å; L846-E850 HydrophobicContact CD1-CG 4.29Å; L846-E850 WeakPolarHBondContact O-CG 3.34Å; L846-E850 PolarHBondContact O-N 3.42Å |
| 847 | I | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | -177.3 | -68.9 | 165.5 | 0 | 0 | 0 | 111.4 | Y788 T815 I818 A843 M844 E850 L851 V870 F873 | Y788-I847 HydrophobicContact CD1-CG1 4.5Å; Y788-I847 HydrophobicContact CE1-CB 4.48Å; Y788-I847 HydrophobicContact CE1-CG1 3.99Å; T815-I847 HydrophobicContact CG2-CD1 4.16Å; I818-I847 HydrophobicContact CD1-CD1 4.34Å; A843-I847 WeakPolarHBondContact O-CB 3.39Å; A843-I847 VanDerWaalsContact O-CG1 3.29Å; A843-I847 WeakPolarHBondContact O-CG1 3.18Å; A843-I847 PolarHBondContact O-N 3.37Å; M844-I847 PolarHBondContact O-N 2.85Å; I847-E850 PolarHBondContact O-N 3.18Å; I847-L851 PolarHBondContact O-N 2.92Å; I847-L851 VanDerWaalsContact O-N 3.08Å; I847-V870 HydrophobicContact CG2-CB 4.33Å; I847-V870 HydrophobicContact CG2-CG1 3.95Å; I847-V870 HydrophobicContact CG2-CG2 3.83Å; I847-F873 HydrophobicContact CD1-CD1 3.74Å; I847-F873 HydrophobicContact CD1-CD2 3.89Å; I847-F873 HydrophobicContact CD1-CE1 3.83Å; I847-F873 HydrophobicContact CD1-CE2 3.96Å; I847-F873 HydrophobicContact CD1-CG 3.78Å; I847-F873 HydrophobicContact CD1-CZ 3.93Å; I847-F873 HydrophobicContact CG2-CD1 4.48Å |
| 848 | I | 91.4 | Very high | 88.5 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.1 | -34.4 | 179.4 | -64.9 | 172.4 | 0 | 0 | 0 | 111.8 | M844 L846 L851 L874 A904 D907 A908 | M844-I848 HydrophobicContact CG-CD1 3.6Å; M844-I848 HydrophobicContact CG-CG1 4.4Å; M844-I848 WeakPolarHBondContact O-CB 3.23Å; M844-I848 VanDerWaalsContact O-CG1 3.28Å; M844-I848 WeakPolarHBondContact O-CG1 3.27Å; M844-I848 PolarHBondContact O-N 2.87Å; M844-I848 HydrophobicContact SD-CD1 4.4Å; L846-I848 VanDerWaalsContact C-N 3.35Å; L846-I848 PolarHBondContact O-N 3.33Å; I848-L851 WeakPolarHBondContact O-CB 3.43Å; I848-L851 PolarHBondContact O-N 3.42Å; I848-L874 HydrophobicContact CD1-CD2 4.09Å; I848-L874 HydrophobicContact CG1-CD2 4.42Å; I848-A904 HydrophobicContact CD1-CB 3.66Å; I848-D907 WeakPolarHBondContact CG2-OD2 3.32Å; I848-A908 HydrophobicContact CD1-CB 4.27Å; I848-A908 HydrophobicContact CG1-CB 4.25Å; I848-A908 HydrophobicContact CG2-CB 4.35Å |
| 849 | S | 91.7 | Very high | 88.1 | Confident | 72 Ų | 72 | 43.4 Ų | 43.4 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | R845 L846 L851 S852 | R845-S849 WeakPolarHBondContact O-CB 3.22Å; R845-S849 PolarHBondContact O-N 3.28Å; L846-S849 WeakPolarHBondContact O-CB 3.2Å; L846-S849 PolarHBondContact O-N 3.16Å; S849-L851 VanDerWaalsContact C-N 3.31Å; S849-L851 PolarHBondContact O-N 2.97Å; S849-S852 PolarHBondContact O-N 2.63Å; S849-S852 PolarHBondContact O-OG 3.28Å |
| 850 | E | 91.7 | Very high | 87.9 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.4 | -26.6 | 179.7 | -66 | -56.6 | 142.7 | 0 | 0 | 113.4 | Y788 N789 V792 L846 I847 S852 R853 F854 | Y788-E850 HydrophobicContact CD1-CG 4.24Å; Y788-E850 HydrophobicContact CE1-CB 3.97Å; Y788-E850 HydrophobicContact CE1-CG 4.02Å; N789-E850 PolarHBondContact ND2-OE1 3.17Å; V792-E850 HydrophobicContact CG1-CB 4.23Å; V792-E850 HydrophobicContact CG2-CB 4.22Å; L846-E850 HydrophobicContact CD1-CG 4.29Å; L846-E850 WeakPolarHBondContact O-CG 3.34Å; L846-E850 PolarHBondContact O-N 3.42Å; I847-E850 PolarHBondContact O-N 3.18Å; E850-S852 PolarHBondContact O-N 3.1Å; E850-S852 VanDerWaalsContact O-N 3.12Å; E850-R853 WeakPolarHBondContact O-CB 3.44Å; E850-R853 PolarHBondContact O-N 3.5Å; E850-R853 IonicContact OE1-NH1 3.97Å; E850-R853 VanDerWaalsContact OE2-CD 3.24Å; E850-R853 WeakPolarHBondContact OE2-CD 3.35Å; E850-R853 IonicContact OE2-CZ 3.69Å; E850-R853 IonicContact OE2-NE 2.81Å; E850-R853 IonicContact OE2-NH1 3.6Å; E850-R853 PolarHBondContact OE2-NH1 3.15Å; E850-F854 WeakPolarHBondContact O-CD1 3.01Å |
| 851 | L | 90 | Very high | 87.7 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56 | -29.5 | 175.9 | -178.8 | 64.8 | 0 | 0 | 0 | 112.6 | I847 I848 S849 R853 F854 V870 A908 K911 L912 | I847-L851 PolarHBondContact O-N 2.92Å; I847-L851 VanDerWaalsContact O-N 3.08Å; I848-L851 WeakPolarHBondContact O-CB 3.43Å; I848-L851 PolarHBondContact O-N 3.42Å; S849-L851 VanDerWaalsContact C-N 3.31Å; S849-L851 PolarHBondContact O-N 2.97Å; L851-R853 PolarHBondContact O-N 3.3Å; L851-F854 HydrophobicContact CD1-CD2 3.74Å; L851-F854 HydrophobicContact CD1-CE2 3.99Å; L851-F854 HydrophobicContact CD1-CG 4.23Å; L851-F854 WeakPolarHBondContact O-CB 3.39Å; L851-F854 PolarHBondContact O-N 3.47Å; L851-V870 HydrophobicContact CD1-CG2 4.49Å; L851-V870 HydrophobicContact CD2-CG1 4.44Å; L851-A908 HydrophobicContact CD2-CB 4.34Å; L851-K911 HydrophobicContact CD2-CB 3.93Å; L851-K911 HydrophobicContact CD2-CD 4.46Å; L851-K911 HydrophobicContact CG-CB 4.33Å; L851-L912 HydrophobicContact CD1-CD2 3.82Å; L851-L912 HydrophobicContact CD2-CD2 4.15Å; L851-L912 HydrophobicContact CD2-CG 4.09Å |
| 852 | S | 86.1 | Confident | 87.4 | Confident | 80 Ų | 80 | 45.2 Ų | 45.2 | 56% | 0.559 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.3 | 176.8 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | S849 E850 | S849-S852 PolarHBondContact O-N 2.63Å; S849-S852 PolarHBondContact O-OG 3.28Å; E850-S852 PolarHBondContact O-N 3.1Å; E850-S852 VanDerWaalsContact O-N 3.12Å |
| 853 | R | 89.8 | Confident | 87.4 | Confident | 85 Ų | 85 | 42.3 Ų | 42.3 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9 | 178.8 | -62 | 171.1 | 64.6 | -169.6 | 2.5 | 112.9 | T793 V796 E850 L851 | T793-R853 PolarHBondContact OG1-NH1 3.11Å; T793-R853 PolarHBondContact OG1-NH2 3.32Å; V796-R853 WeakPolarHBondContact CG1-O 3.34Å; V796-R853 HydrophobicContact CG2-CB 4.24Å; V796-R853 VanDerWaalsContact CG2-O 3.24Å; V796-R853 WeakPolarHBondContact CG2-O 3.39Å; E850-R853 WeakPolarHBondContact O-CB 3.44Å; E850-R853 PolarHBondContact O-N 3.5Å; E850-R853 IonicContact OE1-NH1 3.97Å; E850-R853 VanDerWaalsContact OE2-CD 3.24Å; E850-R853 WeakPolarHBondContact OE2-CD 3.35Å; E850-R853 IonicContact OE2-CZ 3.69Å; E850-R853 IonicContact OE2-NE 2.81Å; E850-R853 IonicContact OE2-NH1 3.6Å; E850-R853 PolarHBondContact OE2-NH1 3.15Å; L851-R853 PolarHBondContact O-N 3.3Å |
| 854 | F | 90.1 | Very high | 87.1 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 6% | 0.057 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -67.7 | 152 | -178.2 | -74.5 | 20.2 | 0 | 0 | 0 | 110.2 | V792 V811 E850 L851 A866 V870 | V792-F854 HydrophobicContact CG1-CD1 4.36Å; V792-F854 HydrophobicContact CG1-CE1 3.94Å; V792-F854 HydrophobicContact CG2-CE1 4.08Å; V811-F854 HydrophobicContact CG1-CZ 3.91Å; E850-F854 WeakPolarHBondContact O-CD1 3.01Å; L851-F854 HydrophobicContact CD1-CD2 3.74Å; L851-F854 HydrophobicContact CD1-CE2 3.99Å; L851-F854 HydrophobicContact CD1-CG 4.23Å; L851-F854 WeakPolarHBondContact O-CB 3.39Å; L851-F854 PolarHBondContact O-N 3.47Å; F854-A866 HydrophobicContact CD2-CB 4.11Å; F854-A866 HydrophobicContact CE2-CB 3.51Å; F854-A866 HydrophobicContact CZ-CB 4.02Å; F854-V870 HydrophobicContact CE2-CG2 4.1Å; F854-V870 HydrophobicContact CZ-CG2 4.26Å |
| 855 | P | 85.2 | Confident | 86.9 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 28% | 0.279 | 25% | 0.25 | S | S | . | . | trans | -57.4 | 144.3 | 179.8 | -24.1 | 33.4 | 0 | 0 | 0 | 112.9 | Y795 S860 R863 | Y795-P855 HydrophobicContact CE1-CG 4.38Å; P855-S860 VanDerWaalsContact CB-OG 3.27Å; P855-S860 WeakPolarHBondContact CB-OG 3.32Å; P855-R863 WeakPolarHBondContact O-CD 3.41Å; P855-R863 PolarHBondContact O-NE 3.27Å; P855-R863 VanDerWaalsContact O-NE 3.17Å | ||
| 856 | T | 79.9 | Confident | 86.9 | Confident | 117 Ų | 117 | 38.5 Ų | 38.5 | 72% | 0.718 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -86.2 | -11 | -176.6 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | P915 | T856-P915 VanDerWaalsContact O-CB 3.27Å; T856-P915 WeakPolarHBondContact O-CB 3.31Å |
| 857 | E | 78.9 | Confident | 86.8 | Confident | 142 Ų | 142 | 36.5 Ų | 36.5 | 66% | 0.664 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -93.6 | 131.1 | 177.9 | -66.1 | 179.3 | -179.8 | 0 | 0 | 110.2 | A859 S860 R863 | E857-A859 VanDerWaalsContact C-N 3.31Å; E857-A859 PolarHBondContact O-N 2.9Å; E857-S860 WeakPolarHBondContact O-CB 3.48Å; E857-S860 PolarHBondContact O-N 2.87Å; E857-S860 PolarHBondContact O-OG 3.04Å; E857-R863 WeakPolarHBondContact O-CD 3.25Å |
| 858 | A | 75.4 | Confident | 86.7 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -39.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S860 L916 Q937 R938 | A858-S860 PolarHBondContact O-N 3.11Å; A858-L916 HydrophobicContact CB-CD2 3.85Å; A858-Q937 PolarHBondContact O-NE2 3.34Å; A858-R938 HydrophobicContact CB-CG 3.43Å; A858-R938 VanDerWaalsContact CB-CG 3.43Å |
| 859 | A | 78 | Confident | 86.7 | Confident | 49 Ų | 49 | 37.2 Ų | 37.2 | 41% | 0.405 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 2.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E857 D934 | E857-A859 VanDerWaalsContact C-N 3.31Å; E857-A859 PolarHBondContact O-N 2.9Å; A859-D934 HydrophobicContact CB-CB 4.32Å |
| 860 | S | 84.2 | Confident | 86.8 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -65 | 133.6 | 178.5 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | P855 E857 A858 G862 R863 | P855-S860 VanDerWaalsContact CB-OG 3.27Å; P855-S860 WeakPolarHBondContact CB-OG 3.32Å; E857-S860 WeakPolarHBondContact O-CB 3.48Å; E857-S860 PolarHBondContact O-N 2.87Å; E857-S860 PolarHBondContact O-OG 3.04Å; A858-S860 PolarHBondContact O-N 3.11Å; S860-G862 PolarHBondContact O-N 3.12Å; S860-R863 WeakPolarHBondContact O-CB 3.36Å; S860-R863 PolarHBondContact O-N 2.98Å; S860-R863 WeakPolarHBondContact OG-CB 3.1Å; S860-R863 VanDerWaalsContact OG-CD 3.26Å; S860-R863 WeakPolarHBondContact OG-CD 3.17Å |
| 861 | P | 84.8 | Confident | 86.9 | Confident | 47 Ų | 47 | 33.5 Ų | 33.5 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.6 | -177.3 | 21.4 | -31.2 | 0 | 0 | 0 | 110.9 | Y795 P801 A804 D805 R863 | Y795-P861 WeakPolarHBondContact CE2-O 3.47Å; Y795-P861 PolarHBondContact OH-O 2.93Å; P801-P861 HydrophobicContact CB-CB 4.35Å; P801-P861 HydrophobicContact CB-CG 3.86Å; P801-P861 WeakPolarHBondContact O-CB 3.46Å; A804-P861 HydrophobicContact CB-CB 4.22Å; A804-P861 HydrophobicContact CB-CG 3.88Å; D805-P861 HydrophobicContact CB-CB 4Å; P861-R863 PolarHBondContact O-N 3.06Å; P861-R863 VanDerWaalsContact O-N 3.1Å |
| 862 | G | 84.5 | Confident | 87 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -12 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | D805 G808 S860 Q864 A865 A866 | D805-G862 WeakPolarHBondContact OD1-CA 3.44Å; D805-G862 PolarHBondContact OD1-N 3.49Å; G808-G862 WeakPolarHBondContact CA-O 3.33Å; S860-G862 PolarHBondContact O-N 3.12Å; G862-Q864 PolarHBondContact O-N 3.2Å; G862-A865 PolarHBondContact O-N 3.38Å; G862-A866 PolarHBondContact O-N 3.4Å |
| 863 | R | 89.9 | Confident | 87.4 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -45.4 | -175.2 | -178.5 | -171.5 | 172.3 | -71.8 | -9.3 | 111.5 | Y795 P855 E857 S860 P861 A865 A866 C867 L912 E941 | Y795-R863 WeakPolarHBondContact OH-CA 3.46Å; Y795-R863 PolarHBondContact OH-N 3.09Å; P855-R863 WeakPolarHBondContact O-CD 3.41Å; P855-R863 PolarHBondContact O-NE 3.27Å; P855-R863 VanDerWaalsContact O-NE 3.17Å; E857-R863 WeakPolarHBondContact O-CD 3.25Å; S860-R863 WeakPolarHBondContact O-CB 3.36Å; S860-R863 PolarHBondContact O-N 2.98Å; S860-R863 WeakPolarHBondContact OG-CB 3.1Å; S860-R863 VanDerWaalsContact OG-CD 3.26Å; S860-R863 WeakPolarHBondContact OG-CD 3.17Å; P861-R863 PolarHBondContact O-N 3.06Å; P861-R863 VanDerWaalsContact O-N 3.1Å; R863-A865 VanDerWaalsContact C-N 3.27Å; R863-A865 PolarHBondContact O-N 2.82Å; R863-A866 PolarHBondContact O-N 3.2Å; R863-C867 VanDerWaalsContact O-CB 3.32Å; R863-C867 WeakPolarHBondContact O-CB 3.44Å; R863-C867 PolarHBondContact O-N 3.03Å; R863-C867 PolarHBondContact O-SG 3.03Å; R863-L912 PolarHBondContact NH2-O 2.91Å; R863-E941 IonicContact CZ-OE2 3.87Å; R863-E941 IonicContact NH1-OE1 2.76Å; R863-E941 PolarHBondContact NH1-OE1 2.84Å; R863-E941 IonicContact NH1-OE2 3.12Å; R863-E941 PolarHBondContact NH1-OE2 3.02Å |
| 864 | Q | 87.2 | Confident | 87.5 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 22% | 0.22 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.2 | -44.2 | 178.2 | 178.9 | 176.7 | 67.4 | 0 | 0 | 111.3 | G862 A868 E941 | G862-Q864 PolarHBondContact O-N 3.2Å; Q864-A868 VanDerWaalsContact O-CB 3.27Å; Q864-A868 WeakPolarHBondContact O-CB 3.43Å; Q864-A868 PolarHBondContact O-N 2.9Å; Q864-E941 HydrophobicContact CB-CG 4.33Å; Q864-E941 HydrophobicContact CG-CG 3.93Å |
| 865 | A | 88.5 | Confident | 87.6 | Confident | 19 Ų | 19 | 28.2 Ų | 28.2 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.1 | -50.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I809 K812 G862 R863 C867 A868 G869 | I809-A865 HydrophobicContact CG1-CB 3.83Å; K812-A865 HydrophobicContact CB-CB 4.44Å; K812-A865 VanDerWaalsContact CB-O 3.25Å; K812-A865 WeakPolarHBondContact CB-O 3.42Å; K812-A865 HydrophobicContact CD-CB 4.25Å; K812-A865 WeakPolarHBondContact CD-O 3.41Å; K812-A865 WeakPolarHBondContact CG-O 3.49Å; G862-A865 PolarHBondContact O-N 3.38Å; R863-A865 VanDerWaalsContact C-N 3.27Å; R863-A865 PolarHBondContact O-N 2.82Å; A865-C867 PolarHBondContact O-N 3.1Å; A865-A868 WeakPolarHBondContact O-CB 3.38Å; A865-A868 PolarHBondContact O-N 3.28Å; A865-A868 VanDerWaalsContact O-N 3.1Å; A865-G869 PolarHBondContact O-N 3.38Å; A865-G869 VanDerWaalsContact O-N 3.09Å |
| 866 | A | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y795 G808 V811 F854 G862 R863 A868 G869 V870 | Y795-A866 HydrophobicContact CE1-CB 4.23Å; G808-A866 PolarHBondContact O-N 2.84Å; V811-A866 HydrophobicContact CB-CB 4.21Å; V811-A866 HydrophobicContact CG1-CB 4.01Å; F854-A866 HydrophobicContact CD2-CB 4.11Å; F854-A866 HydrophobicContact CE2-CB 3.51Å; F854-A866 HydrophobicContact CZ-CB 4.02Å; G862-A866 PolarHBondContact O-N 3.4Å; R863-A866 PolarHBondContact O-N 3.2Å; A866-A868 VanDerWaalsContact C-N 3.33Å; A866-A868 PolarHBondContact O-N 3.31Å; A866-G869 PolarHBondContact O-N 3.14Å; A866-V870 PolarHBondContact O-N 3.06Å |
| 867 | C | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -35.6 | 175.1 | -71.7 | 0 | 0 | 0 | 0 | 112.5 | R863 A865 G869 V870 R871 L912 | R863-C867 VanDerWaalsContact O-CB 3.32Å; R863-C867 WeakPolarHBondContact O-CB 3.44Å; R863-C867 PolarHBondContact O-N 3.03Å; R863-C867 PolarHBondContact O-SG 3.03Å; A865-C867 PolarHBondContact O-N 3.1Å; C867-G869 VanDerWaalsContact C-N 3.32Å; C867-G869 PolarHBondContact O-N 3.01Å; C867-V870 PolarHBondContact O-N 3.38Å; C867-R871 WeakPolarHBondContact O-CB 3.16Å; C867-R871 WeakPolarHBondContact O-CG 3.33Å; C867-R871 PolarHBondContact O-N 2.83Å; C867-L912 HydrophobicContact CB-CD2 3.96Å |
| 868 | A | 91.1 | Very high | 88.8 | Confident | 24 Ų | 24 | 16.9 Ų | 16.9 | 20% | 0.198 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K812 Q864 A865 A866 R871 A872 | K812-A868 HydrophobicContact CD-CB 4.42Å; Q864-A868 VanDerWaalsContact O-CB 3.27Å; Q864-A868 WeakPolarHBondContact O-CB 3.43Å; Q864-A868 PolarHBondContact O-N 2.9Å; A865-A868 WeakPolarHBondContact O-CB 3.38Å; A865-A868 PolarHBondContact O-N 3.28Å; A865-A868 VanDerWaalsContact O-N 3.1Å; A866-A868 VanDerWaalsContact C-N 3.33Å; A866-A868 PolarHBondContact O-N 3.31Å; A868-R871 PolarHBondContact O-N 3.41Å; A868-A872 WeakPolarHBondContact O-CB 3.19Å; A868-A872 PolarHBondContact O-N 3.24Å |
| 869 | G | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T815 A865 A866 C867 R871 A872 F873 | T815-G869 VanDerWaalsContact CG2-C 3.43Å; T815-G869 WeakPolarHBondContact CG2-O 3.11Å; A865-G869 PolarHBondContact O-N 3.38Å; A865-G869 VanDerWaalsContact O-N 3.09Å; A866-G869 PolarHBondContact O-N 3.14Å; C867-G869 VanDerWaalsContact C-N 3.32Å; C867-G869 PolarHBondContact O-N 3.01Å; G869-R871 PolarHBondContact O-N 3.36Å; G869-A872 PolarHBondContact O-N 2.97Å; G869-F873 PolarHBondContact O-N 3.04Å |
| 870 | V | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 176 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | I847 L851 F854 A866 C867 A872 F873 L874 | I847-V870 HydrophobicContact CG2-CB 4.33Å; I847-V870 HydrophobicContact CG2-CG1 3.95Å; I847-V870 HydrophobicContact CG2-CG2 3.83Å; L851-V870 HydrophobicContact CD1-CG2 4.49Å; L851-V870 HydrophobicContact CD2-CG1 4.44Å; F854-V870 HydrophobicContact CE2-CG2 4.1Å; F854-V870 HydrophobicContact CZ-CG2 4.26Å; A866-V870 PolarHBondContact O-N 3.06Å; C867-V870 PolarHBondContact O-N 3.38Å; V870-A872 PolarHBondContact O-N 3.47Å; V870-F873 WeakPolarHBondContact O-CB 3.47Å; V870-F873 PolarHBondContact O-N 3.38Å; V870-L874 HydrophobicContact CG1-CD1 4.12Å; V870-L874 HydrophobicContact CG1-CG 4.38Å; V870-L874 WeakPolarHBondContact O-CG 3.41Å; V870-L874 PolarHBondContact O-N 3.49Å |
| 871 | R | 93.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 15.1 Ų | 15.1 | 3% | 0.03 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 176.1 | -73.6 | -170.7 | -59.9 | -98.4 | 8.8 | 111.5 | C867 A868 G869 F873 L874 H875 L912 E941 D944 | C867-R871 WeakPolarHBondContact O-CB 3.16Å; C867-R871 WeakPolarHBondContact O-CG 3.33Å; C867-R871 PolarHBondContact O-N 2.83Å; A868-R871 PolarHBondContact O-N 3.41Å; G869-R871 PolarHBondContact O-N 3.36Å; R871-F873 VanDerWaalsContact C-N 3.33Å; R871-F873 PolarHBondContact O-N 3.43Å; R871-L874 PolarHBondContact O-N 3.43Å; R871-H875 WeakPolarHBondContact O-CB 3.3Å; R871-H875 PolarHBondContact O-CD2 3.22Å; R871-H875 PolarHBondContact O-N 2.83Å; R871-L912 HydrophobicContact CG-CD1 3.9Å; R871-E941 IonicContact NH1-OE2 3.69Å; R871-E941 PolarHBondContact NH1-OE2 3.13Å; R871-D944 IonicContact CZ-OD2 2.76Å; R871-D944 IonicContact NH2-OD2 3.8Å; R871-D944 PolarHBondContact NH2-OD2 3.44Å |
| 872 | A | 92.3 | Very high | 89 | Confident | 33 Ų | 33 | 16.4 Ų | 16.4 | 27% | 0.273 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A868 G869 V870 H875 R876 | A868-A872 WeakPolarHBondContact O-CB 3.19Å; A868-A872 PolarHBondContact O-N 3.24Å; G869-A872 PolarHBondContact O-N 2.97Å; V870-A872 PolarHBondContact O-N 3.47Å; A872-H875 WeakPolarHBondContact O-CB 3.46Å; A872-H875 PolarHBondContact O-N 3.31Å; A872-R876 WeakPolarHBondContact O-CG 3.47Å; A872-R876 PolarHBondContact O-N 3.09Å |
| 873 | F | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 173.7 | 178.5 | -99.6 | 0 | 0 | 0 | 112 | T815 I818 T819 A843 M844 I847 G869 V870 R871 H875 R876 M877 | T815-F873 HydrophobicContact CG2-CB 3.82Å; T815-F873 HydrophobicContact CG2-CG 4.5Å; I818-F873 HydrophobicContact CG2-CD2 4.24Å; I818-F873 HydrophobicContact CG2-CE2 3.8Å; T819-F873 WeakPolarHBondContact OG1-CA 3.45Å; T819-F873 WeakPolarHBondContact OG1-CB 3.5Å; A843-F873 HydrophobicContact CB-CZ 4.34Å; M844-F873 HydrophobicContact CB-CE1 3.78Å; M844-F873 HydrophobicContact CB-CZ 4.07Å; M844-F873 HydrophobicContact CG-CE1 4.13Å; I847-F873 HydrophobicContact CD1-CD1 3.74Å; I847-F873 HydrophobicContact CD1-CD2 3.89Å; I847-F873 HydrophobicContact CD1-CE1 3.83Å; I847-F873 HydrophobicContact CD1-CE2 3.96Å; I847-F873 HydrophobicContact CD1-CG 3.78Å; I847-F873 HydrophobicContact CD1-CZ 3.93Å; I847-F873 HydrophobicContact CG2-CD1 4.48Å; G869-F873 PolarHBondContact O-N 3.04Å; V870-F873 WeakPolarHBondContact O-CB 3.47Å; V870-F873 PolarHBondContact O-N 3.38Å; R871-F873 VanDerWaalsContact C-N 3.33Å; R871-F873 PolarHBondContact O-N 3.43Å; F873-H875 PolarHBondContact O-N 3.19Å; F873-R876 CarbonylContact O-C 3.41Å; F873-R876 WeakPolarHBondContact O-CA 3.34Å; F873-R876 PolarHBondContact O-N 3.32Å; F873-M877 HydrophobicContact CD1-CG 3.96Å; F873-M877 HydrophobicContact CD2-CE 4.4Å; F873-M877 HydrophobicContact CE1-CG 3.44Å; F873-M877 VanDerWaalsContact CE1-CG 3.44Å; F873-M877 HydrophobicContact CE1-SD 4.05Å; F873-M877 HydrophobicContact CE2-CE 3.74Å; F873-M877 HydrophobicContact CE2-CG 4.21Å; F873-M877 HydrophobicContact CE2-SD 4.1Å; F873-M877 HydrophobicContact CZ-CE 3.88Å; F873-M877 HydrophobicContact CZ-CG 3.6Å; F873-M877 HydrophobicContact CZ-SD 3.57Å; F873-M877 VanDerWaalsContact CZ-SD 3.57Å; F873-M877 WeakPolarHBondContact O-CG 3.48Å; F873-M877 PolarHBondContact O-N 3.41Å |
| 874 | L | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 179 | -67.2 | 176 | 0 | 0 | 0 | 112.2 | I848 V870 R871 R876 M877 V878 L905 A908 L912 L948 | I848-L874 HydrophobicContact CD1-CD2 4.09Å; I848-L874 HydrophobicContact CG1-CD2 4.42Å; V870-L874 HydrophobicContact CG1-CD1 4.12Å; V870-L874 HydrophobicContact CG1-CG 4.38Å; V870-L874 WeakPolarHBondContact O-CG 3.41Å; V870-L874 PolarHBondContact O-N 3.49Å; R871-L874 PolarHBondContact O-N 3.43Å; L874-R876 PolarHBondContact O-N 3.19Å; L874-M877 PolarHBondContact O-N 3.37Å; L874-M877 VanDerWaalsContact O-N 3.14Å; L874-V878 WeakPolarHBondContact O-CG2 3.17Å; L874-V878 PolarHBondContact O-N 2.9Å; L874-L905 HydrophobicContact CB-CD2 4.22Å; L874-L905 HydrophobicContact CD1-CD2 4.19Å; L874-L905 HydrophobicContact CD2-CD2 4.1Å; L874-L905 HydrophobicContact CG-CD2 4.4Å; L874-A908 HydrophobicContact CD1-CB 3.95Å; L874-L912 HydrophobicContact CD1-CD1 4.34Å; L874-L948 HydrophobicContact CB-CD1 4.1Å; L874-L948 HydrophobicContact CB-CD2 4.06Å; L874-L948 HydrophobicContact CD1-CD2 4.15Å |
| 875 | H | 92.1 | Very high | 85.9 | Confident | 42 Ų | 42 | 22.4 Ų | 22.4 | 19% | 0.194 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.7 | -41.6 | 171.9 | -89.6 | -72.2 | 0 | 0 | 0 | 112.1 | R871 A872 F873 A879 L948 Q951 | R871-H875 WeakPolarHBondContact O-CB 3.3Å; R871-H875 PolarHBondContact O-CD2 3.22Å; R871-H875 PolarHBondContact O-N 2.83Å; A872-H875 WeakPolarHBondContact O-CB 3.46Å; A872-H875 PolarHBondContact O-N 3.31Å; F873-H875 PolarHBondContact O-N 3.19Å; H875-A879 WeakPolarHBondContact O-CB 3.43Å; H875-A879 PolarHBondContact O-N 2.85Å; H875-A879 VanDerWaalsContact O-N 3.1Å; H875-L948 HydrophobicContact CB-CD1 4.37Å; H875-L948 WeakPolarHBondContact CE1-CA 3.46Å; H875-L948 PolarHBondContact CE1-N 3.21Å; H875-Q951 PolarHBondContact ND1-OE1 2.98Å; H875-Q951 PolarHBondContact O-NE2 3.46Å; H875-Q951 PolarHBondContact O-OE1 2.97Å |
| 876 | R | 89.9 | Confident | 84.3 | Confident | 64 Ų | 64 | 28.4 Ų | 28.4 | 24% | 0.242 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74.4 | -35.9 | 176.9 | -61.3 | -55.4 | -76.6 | 167.4 | -2.2 | 112.7 | T819 T822 R823 S826 A872 F873 L874 A879 C880 | T819-R876 HydrophobicContact CG2-CB 4.12Å; T819-R876 HydrophobicContact CG2-CG 3.36Å; T822-R876 VanDerWaalsContact OG1-CB 3.31Å; T822-R876 WeakPolarHBondContact OG1-CB 3.42Å; R823-R876 VanDerWaalsContact CB-NH2 3.33Å; R823-R876 VanDerWaalsContact CG-NH2 3.26Å; S826-R876 PolarHBondContact OG-NH2 3.16Å; A872-R876 WeakPolarHBondContact O-CG 3.47Å; A872-R876 PolarHBondContact O-N 3.09Å; F873-R876 CarbonylContact O-C 3.41Å; F873-R876 WeakPolarHBondContact O-CA 3.34Å; F873-R876 PolarHBondContact O-N 3.32Å; L874-R876 PolarHBondContact O-N 3.19Å; R876-A879 CarbonylContact O-C 3.57Å; R876-A879 WeakPolarHBondContact O-CA 3.14Å; R876-A879 WeakPolarHBondContact O-CB 3.27Å; R876-A879 PolarHBondContact O-N 3.42Å; R876-C880 WeakPolarHBondContact O-CB 3.34Å; R876-C880 PolarHBondContact O-N 2.85Å; R876-C880 PolarHBondContact O-SG 2.92Å |
| 877 | M | 89.7 | Confident | 82 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 173.3 | -69.3 | -59 | 97 | 0 | 0 | 111.5 | T822 L840 M844 F873 L874 A879 C880 I881 L901 | T822-M877 HydrophobicContact CG2-CE 3.32Å; L840-M877 HydrophobicContact CB-SD 4.28Å; L840-M877 HydrophobicContact CD1-CE 4.31Å; L840-M877 HydrophobicContact CD2-CE 4.27Å; M844-M877 HydrophobicContact SD-CG 4.49Å; F873-M877 HydrophobicContact CD1-CG 3.96Å; F873-M877 HydrophobicContact CD2-CE 4.4Å; F873-M877 HydrophobicContact CE1-CG 3.44Å; F873-M877 VanDerWaalsContact CE1-CG 3.44Å; F873-M877 HydrophobicContact CE1-SD 4.05Å; F873-M877 HydrophobicContact CE2-CE 3.74Å; F873-M877 HydrophobicContact CE2-CG 4.21Å; F873-M877 HydrophobicContact CE2-SD 4.1Å; F873-M877 HydrophobicContact CZ-CE 3.88Å; F873-M877 HydrophobicContact CZ-CG 3.6Å; F873-M877 HydrophobicContact CZ-SD 3.57Å; F873-M877 VanDerWaalsContact CZ-SD 3.57Å; F873-M877 WeakPolarHBondContact O-CG 3.48Å; F873-M877 PolarHBondContact O-N 3.41Å; L874-M877 PolarHBondContact O-N 3.37Å; L874-M877 VanDerWaalsContact O-N 3.14Å; M877-A879 PolarHBondContact O-N 2.97Å; M877-C880 PolarHBondContact O-N 3.32Å; M877-C880 VanDerWaalsContact O-N 3.11Å; M877-I881 PolarHBondContact O-N 3.19Å; M877-L901 HydrophobicContact CB-CD1 3.8Å |
| 878 | V | 89 | Confident | 79.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.2 | -36.4 | 170.9 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L874 L901 L905 L948 Q951 V952 R955 Y956 | L874-V878 WeakPolarHBondContact O-CG2 3.17Å; L874-V878 PolarHBondContact O-N 2.9Å; V878-L901 HydrophobicContact CG2-CD2 4.19Å; V878-L905 HydrophobicContact CG2-CD1 3.76Å; V878-L948 HydrophobicContact CG2-CD1 4.28Å; V878-Q951 HydrophobicContact CG1-CB 4.45Å; V878-Q951 HydrophobicContact CG1-CG 3.78Å; V878-V952 HydrophobicContact CG1-CG2 4.02Å; V878-V952 HydrophobicContact CG2-CG2 3.73Å; V878-R955 WeakPolarHBondContact O-CD 3.41Å; V878-R955 PolarHBondContact O-NE 3.23Å; V878-Y956 HydrophobicContact CG1-CD2 4.4Å; V878-Y956 HydrophobicContact CG1-CE2 3.92Å |
| 879 | A | 86 | Confident | 76.2 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -78.4 | -21.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | H875 R876 M877 R955 | H875-A879 WeakPolarHBondContact O-CB 3.43Å; H875-A879 PolarHBondContact O-N 2.85Å; H875-A879 VanDerWaalsContact O-N 3.1Å; R876-A879 CarbonylContact O-C 3.57Å; R876-A879 WeakPolarHBondContact O-CA 3.14Å; R876-A879 WeakPolarHBondContact O-CB 3.27Å; R876-A879 PolarHBondContact O-N 3.42Å; M877-A879 PolarHBondContact O-N 2.97Å; A879-R955 VanDerWaalsContact C-CZ 3.45Å; A879-R955 VanDerWaalsContact CA-NH1 3.32Å; A879-R955 PolarHBondContact O-NH1 3.34Å; A879-R955 PolarHBondContact O-NH2 2.82Å |
| 880 | C | 81.9 | Confident | 73.4 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -97.9 | -37.6 | -175.9 | -63 | 0 | 0 | 0 | 0 | 112.3 | T822 F825 R876 M877 | T822-C880 PolarHBondContact O-SG 3.28Å; F825-C880 HydrophobicContact CB-CB 4.34Å; R876-C880 WeakPolarHBondContact O-CB 3.34Å; R876-C880 PolarHBondContact O-N 2.85Å; R876-C880 PolarHBondContact O-SG 2.92Å; M877-C880 PolarHBondContact O-N 3.32Å; M877-C880 VanDerWaalsContact O-N 3.11Å |
| 881 | I | 82.2 | Confident | 70.4 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -82.1 | 134.9 | 178.9 | -61.2 | 171.9 | 0 | 0 | 0 | 109.2 | M832 M877 L901 R955 Y956 | M832-I881 HydrophobicContact CE-CG1 4.45Å; M877-I881 PolarHBondContact O-N 3.19Å; I881-L901 HydrophobicContact CB-CD2 4.07Å; I881-L901 HydrophobicContact CD1-CB 4.04Å; I881-L901 HydrophobicContact CD1-CD2 4.09Å; I881-L901 HydrophobicContact CD1-CG 4.43Å; I881-L901 HydrophobicContact CG2-CD2 4.48Å; I881-R955 PolarHBondContact O-NE 3.25Å; I881-R955 PolarHBondContact O-NH2 2.86Å; I881-Y956 PolarHBondContact O-OH 3.45Å |
| 882 | V | 76.4 | Confident | 67.3 | Low | 74 Ų | 74 | 60 Ų | 60 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 142.2 | -175.7 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | E886 | V882-E886 HydrophobicContact CG1-CB 3.97Å; V882-E886 HydrophobicContact CG1-CG 4.46Å; V882-E886 WeakPolarHBondContact CG1-OE2 3.32Å |
| 883 | P | 73.9 | Confident | 64.3 | Low | 14 Ų | 14 | 62.4 Ų | 62.4 | 9% | 0.091 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 148 | 173.7 | -20.4 | 32.5 | 0 | 0 | 0 | 112.7 | N885 E886 R955 Y956 | P883-N885 PolarHBondContact O-N 2.94Å; P883-E886 PolarHBondContact O-N 3.25Å; P883-R955 HydrophobicContact CG-CG 4.35Å; P883-R955 WeakPolarHBondContact CG-O 3.28Å; P883-Y956 HydrophobicContact CB-CD1 4.02Å; P883-Y956 HydrophobicContact CB-CE1 4.22Å; P883-Y956 HydrophobicContact CG-CD1 4.04Å; P883-Y956 HydrophobicContact CG-CE1 4.13Å; P883-Y956 HydrophobicContact CG-CG 4.41Å |
| 884 | T | 66 | Low | 61.5 | Low | 32 Ų | 32 | 67.4 Ų | 67.4 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -58.6 | -21.9 | -174.2 | 60.3 | 0 | 0 | 0 | 0 | 115.2 | E886 S887 L896 S898 Q959 | T884-E886 VanDerWaalsContact C-N 3.32Å; T884-E886 PolarHBondContact O-N 3.44Å; T884-S887 PolarHBondContact O-OG 2.97Å; T884-L896 HydrophobicContact CG2-CB 3.65Å; T884-L896 HydrophobicContact CG2-CD1 3.97Å; T884-L896 HydrophobicContact CG2-CD2 3.35Å; T884-L896 HydrophobicContact CG2-CG 3.81Å; T884-S898 WeakPolarHBondContact CG2-OG 3.5Å; T884-Q959 VanDerWaalsContact N-OE1 3.16Å; T884-Q959 VanDerWaalsContact OG1-CD 3.29Å; T884-Q959 PolarHBondContact OG1-NE2 3.35Å; T884-Q959 PolarHBondContact OG1-OE1 3.08Å |
| 885 | N | 57.6 | Low | 59.4 | Low | 132 Ų | 132 | 72.6 Ų | 72.6 | 71% | 0.706 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -82.6 | -4.2 | -172.1 | -71.1 | -8.9 | 0 | 0 | 0 | 114.1 | P883 Q959 | P883-N885 PolarHBondContact O-N 2.94Å; N885-Q959 PolarHBondContact ND2-NE2 3.41Å; N885-Q959 PolarHBondContact OD1-NE2 3.41Å |
| 886 | E | 53.1 | Low | 58.3 | Low | 146 Ų | 146 | 74.6 Ų | 74.6 | 68% | 0.682 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -95.3 | -11.4 | 178.8 | -66.6 | -168.6 | 166 | 0 | 0 | 113.9 | V882 P883 T884 N888 | V882-E886 HydrophobicContact CG1-CB 3.97Å; V882-E886 HydrophobicContact CG1-CG 4.46Å; V882-E886 WeakPolarHBondContact CG1-OE2 3.32Å; P883-E886 PolarHBondContact O-N 3.25Å; T884-E886 VanDerWaalsContact C-N 3.32Å; T884-E886 PolarHBondContact O-N 3.44Å; E886-N888 PolarHBondContact O-N 2.91Å |
| 887 | S | 43.2 | Very low | 57.8 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | trans | -80.4 | 80.6 | 177.7 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | T884 S889 | T884-S887 PolarHBondContact O-OG 2.97Å; S887-S889 PolarHBondContact O-N 3.29Å | ||
| 888 | N | 31.1 | Very low | 57.4 | Low | 148 Ų | 148 | 73.4 Ų | 73.4 | 79% | 0.791 | 48% | 0.475 | S | S | * | . | trans | -72.4 | 121.4 | 163.6 | -88.4 | -25.4 | 0 | 0 | 0 | 109.9 | E886 | E886-N888 PolarHBondContact O-N 2.91Š| ||
| 889 | S | 30.2 | Very low | 57.2 | Low | 103 Ų | 103 | 77 Ų | 77 | 72% | 0.72 | 50% | 0.495 | S | S | * | . | S | Bend | trans | 75.6 | 124.4 | 161.7 | 68 | 0 | 0 | 0 | 0 | 119.3 | S887 | S887-S889 PolarHBondContact O-N 3.29Š|
| 890 | T | 32.7 | Very low | 57.2 | Low | 148 Ų | 148 | 78.3 Ų | 78.3 | 91% | 0.908 | 50% | 0.499 | S | S | * | . | trans | 79 | 107.7 | 160.1 | 60.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 891 | G | 30.5 | Very low | 57.5 | Low | 77 Ų | 77 | 77.9 Ų | 77.9 | 79% | 0.794 | 50% | 0.496 | S | S | * | . | trans | 115.1 | 90.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 892 | C | 27.8 | Very low | 57.8 | Low | 132 Ų | 132 | 78.3 Ų | 78.3 | 89% | 0.892 | 50% | 0.499 | S | S | * | . | trans | 64.4 | 94.2 | 141.4 | -141.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 893 | G | 29.5 | Very low | 58.5 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 86% | 0.856 | 51% | 0.507 | S | S | * | . | 61.8 | 59.7 | 110.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 894 | S | 35.1 | Very low | 59.2 | Low | 104 Ų | 104 | 79.9 Ų | 79.9 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -149.6 | 143.2 | 147.3 | 59.7 | 0 | 0 | 0 | 0 | 108.3 | L896 | S894-L896 PolarHBondContact O-N 3.49Š|
| 895 | T | 50.3 | Low | 60.4 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | trans | -37.1 | 118.6 | -175.7 | 43.6 | 0 | 0 | 0 | 0 | 112.2 | T897 | T895-T897 PolarHBondContact O-N 2.76Š| ||
| 896 | L | 68 | Low | 62 | Low | 83 Ų | 83 | 74.1 Ų | 74.1 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | trans | -52.8 | 124.9 | -174 | -85.7 | 126.2 | 0 | 0 | 0 | 110.2 | T884 S894 S898 D899 I900 | T884-L896 HydrophobicContact CG2-CB 3.65Å; T884-L896 HydrophobicContact CG2-CD1 3.97Å; T884-L896 HydrophobicContact CG2-CD2 3.35Å; T884-L896 HydrophobicContact CG2-CG 3.81Å; S894-L896 PolarHBondContact O-N 3.49Å; L896-S898 PolarHBondContact O-N 3.44Å; L896-S898 VanDerWaalsContact O-N 3.14Å; L896-D899 WeakPolarHBondContact O-CA 3.48Å; L896-D899 WeakPolarHBondContact O-CB 3.38Å; L896-D899 PolarHBondContact O-N 3.47Å; L896-I900 PolarHBondContact O-N 2.91Å | ||
| 897 | T | 79 | Confident | 63.7 | Low | 38 Ų | 38 | 70.7 Ų | 70.7 | 23% | 0.233 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.7 | -24.8 | -172.6 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | E837 I841 T895 D899 I900 L901 | E837-T897 HydrophobicContact CG-CG2 4.23Å; E837-T897 WeakPolarHBondContact OE1-CB 3.39Å; E837-T897 WeakPolarHBondContact OE1-CG2 3.15Å; E837-T897 PolarHBondContact OE1-OG1 2.9Å; I841-T897 HydrophobicContact CD1-CG2 3.81Å; T895-T897 PolarHBondContact O-N 2.76Å; T897-D899 VanDerWaalsContact C-N 3.32Å; T897-D899 PolarHBondContact O-N 3.46Å; T897-I900 WeakPolarHBondContact O-CB 3.5Å; T897-I900 PolarHBondContact O-N 3.14Å; T897-L901 PolarHBondContact O-N 3.29Å |
| 898 | S | 82.1 | Confident | 66 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.007 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.5 | -39.6 | 166.9 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | T884 L896 I900 L901 L902 | T884-S898 WeakPolarHBondContact CG2-OG 3.5Å; L896-S898 PolarHBondContact O-N 3.44Å; L896-S898 VanDerWaalsContact O-N 3.14Å; S898-I900 VanDerWaalsContact C-N 3.34Å; S898-L901 PolarHBondContact O-N 2.86Å; S898-L902 WeakPolarHBondContact O-CG 3.32Å; S898-L902 PolarHBondContact O-N 3.04Å |
| 899 | D | 83.9 | Confident | 68.8 | Low | 77 Ų | 77 | 59.5 Ų | 59.5 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.6 | -37.9 | -179.1 | -60.9 | -16.3 | 0 | 0 | 0 | 109.3 | L896 T897 L901 L902 V903 | L896-D899 WeakPolarHBondContact O-CA 3.48Å; L896-D899 WeakPolarHBondContact O-CB 3.38Å; L896-D899 PolarHBondContact O-N 3.47Å; T897-D899 VanDerWaalsContact C-N 3.32Å; T897-D899 PolarHBondContact O-N 3.46Å; D899-L901 VanDerWaalsContact C-N 3.32Å; D899-L901 PolarHBondContact O-N 3.34Å; D899-L902 PolarHBondContact O-N 2.88Å; D899-V903 WeakPolarHBondContact O-CB 3.33Å; D899-V903 WeakPolarHBondContact O-CG2 3.5Å; D899-V903 PolarHBondContact O-N 3.17Å |
| 900 | I | 86 | Confident | 71.5 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 20% | 0.195 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 172.3 | -55.5 | 179.4 | 0 | 0 | 0 | 110.2 | M844 L896 T897 S898 A904 | M844-I900 HydrophobicContact CE-CG2 4.16Å; L896-I900 PolarHBondContact O-N 2.91Å; T897-I900 WeakPolarHBondContact O-CB 3.5Å; T897-I900 PolarHBondContact O-N 3.14Å; S898-I900 VanDerWaalsContact C-N 3.34Å; I900-A904 VanDerWaalsContact O-CB 3.24Å; I900-A904 WeakPolarHBondContact O-CB 3.49Å; I900-A904 PolarHBondContact O-N 3.48Å |
| 901 | L | 88.6 | Confident | 74 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 176.8 | 175.6 | 66.1 | 0 | 0 | 0 | 112 | M844 M877 V878 I881 T897 S898 D899 V903 A904 L905 Y956 | M844-L901 HydrophobicContact SD-CD1 3.5Å; M844-L901 VanDerWaalsContact SD-CD1 3.5Å; M877-L901 HydrophobicContact CB-CD1 3.8Å; V878-L901 HydrophobicContact CG2-CD2 4.19Å; I881-L901 HydrophobicContact CB-CD2 4.07Å; I881-L901 HydrophobicContact CD1-CB 4.04Å; I881-L901 HydrophobicContact CD1-CD2 4.09Å; I881-L901 HydrophobicContact CD1-CG 4.43Å; I881-L901 HydrophobicContact CG2-CD2 4.48Å; T897-L901 PolarHBondContact O-N 3.29Å; S898-L901 PolarHBondContact O-N 2.86Å; D899-L901 VanDerWaalsContact C-N 3.32Å; D899-L901 PolarHBondContact O-N 3.34Å; L901-V903 VanDerWaalsContact C-N 3.34Å; L901-V903 PolarHBondContact O-N 3.43Å; L901-A904 WeakPolarHBondContact O-CB 3.41Å; L901-A904 PolarHBondContact O-N 3.03Å; L901-L905 HydrophobicContact CD1-CD1 4.25Å; L901-L905 HydrophobicContact CD1-CG 4.25Å; L901-L905 HydrophobicContact CG-CD1 4.04Å; L901-L905 HydrophobicContact CG-CG 4.46Å; L901-L905 WeakPolarHBondContact O-CG 3.33Å; L901-L905 PolarHBondContact O-N 3Å; L901-Y956 HydrophobicContact CD2-CE2 4.48Å; L901-Y956 WeakPolarHBondContact CD2-OH 3.44Å |
| 902 | L | 89.3 | Confident | 76.7 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | -179.9 | -71.6 | 173.5 | 0 | 0 | 0 | 111.3 | S898 D899 L905 V906 V952 Y956 Q959 F963 | S898-L902 WeakPolarHBondContact O-CG 3.32Å; S898-L902 PolarHBondContact O-N 3.04Å; D899-L902 PolarHBondContact O-N 2.88Å; L902-L905 HydrophobicContact CD2-CD1 4.5Å; L902-L905 PolarHBondContact O-N 3.24Å; L902-V906 WeakPolarHBondContact O-CG2 3.39Å; L902-V906 PolarHBondContact O-N 3.01Å; L902-V952 HydrophobicContact CD2-CG1 4.02Å; L902-Y956 HydrophobicContact CD1-CD1 4.18Å; L902-Y956 HydrophobicContact CD2-CD1 4.38Å; L902-Y956 HydrophobicContact CD2-CG 4.32Å; L902-Y956 HydrophobicContact CG-CD1 4.45Å; L902-Q959 HydrophobicContact CD1-CB 4.41Å; L902-Q959 WeakPolarHBondContact CD1-O 3.45Å; L902-F963 HydrophobicContact CD2-CB 4.38Å |
| 903 | V | 90.6 | Very high | 79.5 | Confident | 104 Ų | 104 | 43.2 Ų | 43.2 | 63% | 0.63 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 172.9 | 171.1 | 0 | 0 | 0 | 0 | 111 | D899 L901 L905 V906 D907 | D899-V903 WeakPolarHBondContact O-CB 3.33Å; D899-V903 WeakPolarHBondContact O-CG2 3.5Å; D899-V903 PolarHBondContact O-N 3.17Å; L901-V903 VanDerWaalsContact C-N 3.34Å; L901-V903 PolarHBondContact O-N 3.43Å; V903-L905 VanDerWaalsContact C-N 3.31Å; V903-L905 PolarHBondContact O-N 3.49Å; V903-V906 WeakPolarHBondContact O-CB 3.48Å; V903-V906 PolarHBondContact O-N 2.83Å; V903-D907 PolarHBondContact O-N 2.89Å; V903-D907 VanDerWaalsContact O-N 3.16Å |
| 904 | A | 89.4 | Confident | 82 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M844 I848 I900 L901 D907 A908 | M844-A904 HydrophobicContact CE-CB 3.78Å; M844-A904 HydrophobicContact SD-CB 3.99Å; I848-A904 HydrophobicContact CD1-CB 3.66Å; I900-A904 VanDerWaalsContact O-CB 3.24Å; I900-A904 WeakPolarHBondContact O-CB 3.49Å; I900-A904 PolarHBondContact O-N 3.48Å; L901-A904 WeakPolarHBondContact O-CB 3.41Å; L901-A904 PolarHBondContact O-N 3.03Å; A904-D907 PolarHBondContact O-N 3.11Å; A904-A908 WeakPolarHBondContact O-CB 3.25Å; A904-A908 PolarHBondContact O-N 2.86Å |
| 905 | L | 91.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.2 | -35.1 | 174.4 | -72.2 | 168.6 | 0 | 0 | 0 | 112.7 | L874 V878 L901 L902 V903 D907 A908 V909 L948 V952 F963 | L874-L905 HydrophobicContact CB-CD2 4.22Å; L874-L905 HydrophobicContact CD1-CD2 4.19Å; L874-L905 HydrophobicContact CD2-CD2 4.1Å; L874-L905 HydrophobicContact CG-CD2 4.4Å; V878-L905 HydrophobicContact CG2-CD1 3.76Å; L901-L905 HydrophobicContact CD1-CD1 4.25Å; L901-L905 HydrophobicContact CD1-CG 4.25Å; L901-L905 HydrophobicContact CG-CD1 4.04Å; L901-L905 HydrophobicContact CG-CG 4.46Å; L901-L905 WeakPolarHBondContact O-CG 3.33Å; L901-L905 PolarHBondContact O-N 3Å; L902-L905 HydrophobicContact CD2-CD1 4.5Å; L902-L905 PolarHBondContact O-N 3.24Å; V903-L905 VanDerWaalsContact C-N 3.31Å; V903-L905 PolarHBondContact O-N 3.49Å; L905-D907 PolarHBondContact O-N 3.11Å; L905-A908 PolarHBondContact O-N 2.85Å; L905-V909 WeakPolarHBondContact O-CB 3.29Å; L905-V909 WeakPolarHBondContact O-CG2 3.49Å; L905-V909 PolarHBondContact O-N 2.67Å; L905-L948 HydrophobicContact CD2-CD2 4.49Å; L905-V952 HydrophobicContact CD1-CG2 3.82Å; L905-F963 HydrophobicContact CB-CD2 3.98Å; L905-F963 HydrophobicContact CB-CE2 3.79Å |
| 906 | V | 91.3 | Very high | 85.5 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 26% | 0.261 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -32.2 | 172.2 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | L902 V903 P910 F963 T966 | L902-V906 WeakPolarHBondContact O-CG2 3.39Å; L902-V906 PolarHBondContact O-N 3.01Å; V903-V906 WeakPolarHBondContact O-CB 3.48Å; V903-V906 PolarHBondContact O-N 2.83Å; V906-P910 WeakPolarHBondContact O-CD 3.34Å; V906-P910 WeakPolarHBondContact O-CG 3.33Å; V906-F963 HydrophobicContact CG2-CB 4.16Å; V906-F963 HydrophobicContact CG2-CD2 3.89Å; V906-T966 HydrophobicContact CG1-CG2 3.85Å |
| 907 | D | 88.6 | Confident | 85.9 | Confident | 73 Ų | 73 | 38.5 Ų | 38.5 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -80.4 | -41.2 | 173.9 | -175.8 | 48.1 | 0 | 0 | 0 | 112.6 | I848 V903 A904 L905 K911 | I848-D907 WeakPolarHBondContact CG2-OD2 3.32Å; V903-D907 PolarHBondContact O-N 2.89Å; V903-D907 VanDerWaalsContact O-N 3.16Å; A904-D907 PolarHBondContact O-N 3.11Å; L905-D907 PolarHBondContact O-N 3.11Å; D907-K911 WeakPolarHBondContact O-CD 3.22Å; D907-K911 WeakPolarHBondContact O-CG 3.36Å; D907-K911 WeakPolarHBondContact OD1-CE 3.21Å; D907-K911 IonicContact OD1-NZ 3.54Å; D907-K911 PolarHBondContact OD1-NZ 3.31Å; D907-K911 IonicContact OD2-NZ 2.66Å; D907-K911 PolarHBondContact OD2-NZ 3.26Å |
| 908 | A | 90 | Very high | 85.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.7 | -43.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I848 L851 L874 A904 L905 K911 L912 | I848-A908 HydrophobicContact CD1-CB 4.27Å; I848-A908 HydrophobicContact CG1-CB 4.25Å; I848-A908 HydrophobicContact CG2-CB 4.35Å; L851-A908 HydrophobicContact CD2-CB 4.34Å; L874-A908 HydrophobicContact CD1-CB 3.95Å; A904-A908 WeakPolarHBondContact O-CB 3.25Å; A904-A908 PolarHBondContact O-N 2.86Å; L905-A908 PolarHBondContact O-N 2.85Å; A908-K911 WeakPolarHBondContact O-CB 3.48Å; A908-K911 PolarHBondContact O-N 2.99Å; A908-L912 WeakPolarHBondContact O-CG 3.36Å; A908-L912 PolarHBondContact O-N 3.35Å |
| 909 | V | 90.1 | Very high | 84 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | -174.1 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | L905 K911 L912 V913 I945 L948 F963 C967 | L905-V909 WeakPolarHBondContact O-CB 3.29Å; L905-V909 WeakPolarHBondContact O-CG2 3.49Å; L905-V909 PolarHBondContact O-N 2.67Å; V909-K911 VanDerWaalsContact C-N 3.29Å; V909-K911 PolarHBondContact O-N 2.9Å; V909-L912 PolarHBondContact O-N 2.99Å; V909-L912 VanDerWaalsContact O-N 3.12Å; V909-V913 HydrophobicContact CG1-CG2 4.09Å; V909-V913 VanDerWaalsContact O-CG2 3.3Å; V909-V913 WeakPolarHBondContact O-CG2 3.38Å; V909-V913 PolarHBondContact O-N 2.75Å; V909-I945 HydrophobicContact CG1-CG2 4.39Å; V909-L948 HydrophobicContact CG2-CD2 4.38Å; V909-F963 HydrophobicContact CB-CE2 4.38Å; V909-F963 HydrophobicContact CG2-CE2 3.92Å; V909-F963 HydrophobicContact CG2-CZ 4.11Å; V909-C967 HydrophobicContact CG1-CB 4.4Å |
| 910 | P | 86.8 | Confident | 82.5 | Confident | 44 Ų | 44 | 44.5 Ų | 44.5 | 29% | 0.286 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -36.4 | 174.4 | -26 | 37.1 | 0 | 0 | 0 | 113.3 | V906 L912 V913 R914 | V906-P910 WeakPolarHBondContact O-CD 3.34Å; V906-P910 WeakPolarHBondContact O-CG 3.33Å; P910-L912 VanDerWaalsContact C-N 3.3Å; P910-L912 PolarHBondContact O-N 2.64Å; P910-V913 PolarHBondContact O-N 2.98Å; P910-R914 WeakPolarHBondContact O-CB 3.34Å; P910-R914 PolarHBondContact O-N 3.43Å |
| 911 | K | 86.1 | Confident | 80.2 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.9 | -31.8 | 176 | -70.6 | 173 | -178.9 | 170.7 | 0 | 112.7 | L851 D907 A908 V909 P915 | L851-K911 HydrophobicContact CD2-CB 3.93Å; L851-K911 HydrophobicContact CD2-CD 4.46Å; L851-K911 HydrophobicContact CG-CB 4.33Å; D907-K911 WeakPolarHBondContact O-CD 3.22Å; D907-K911 WeakPolarHBondContact O-CG 3.36Å; D907-K911 WeakPolarHBondContact OD1-CE 3.21Å; D907-K911 IonicContact OD1-NZ 3.54Å; D907-K911 PolarHBondContact OD1-NZ 3.31Å; D907-K911 IonicContact OD2-NZ 2.66Å; D907-K911 PolarHBondContact OD2-NZ 3.26Å; A908-K911 WeakPolarHBondContact O-CB 3.48Å; A908-K911 PolarHBondContact O-N 2.99Å; V909-K911 VanDerWaalsContact C-N 3.29Å; V909-K911 PolarHBondContact O-N 2.9Å; K911-P915 VanDerWaalsContact O-CD 3.23Å; K911-P915 WeakPolarHBondContact O-CD 3.48Å |
| 912 | L | 87.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.9 | -37.3 | 174.3 | -67.9 | 169.8 | 0 | 0 | 0 | 112.4 | L851 R863 C867 R871 L874 A908 V909 P910 I945 | L851-L912 HydrophobicContact CD1-CD2 3.82Å; L851-L912 HydrophobicContact CD2-CD2 4.15Å; L851-L912 HydrophobicContact CD2-CG 4.09Å; R863-L912 PolarHBondContact NH2-O 2.91Å; C867-L912 HydrophobicContact CB-CD2 3.96Å; R871-L912 HydrophobicContact CG-CD1 3.9Å; L874-L912 HydrophobicContact CD1-CD1 4.34Å; A908-L912 WeakPolarHBondContact O-CG 3.36Å; A908-L912 PolarHBondContact O-N 3.35Å; V909-L912 PolarHBondContact O-N 2.99Å; V909-L912 VanDerWaalsContact O-N 3.12Å; P910-L912 VanDerWaalsContact C-N 3.3Å; P910-L912 PolarHBondContact O-N 2.64Å; L912-I945 HydrophobicContact CB-CD1 3.93Å |
| 913 | V | 85.8 | Confident | 74.8 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -84.9 | -41.8 | -173.7 | 176.4 | 0 | 0 | 0 | 0 | 113.2 | V909 P910 P915 L916 I945 L971 V974 | V909-V913 HydrophobicContact CG1-CG2 4.09Å; V909-V913 VanDerWaalsContact O-CG2 3.3Å; V909-V913 WeakPolarHBondContact O-CG2 3.38Å; V909-V913 PolarHBondContact O-N 2.75Å; P910-V913 PolarHBondContact O-N 2.98Å; V913-P915 VanDerWaalsContact C-CD 3.49Å; V913-L916 WeakPolarHBondContact O-CA 3.5Å; V913-L916 VanDerWaalsContact O-CB 3.26Å; V913-L916 WeakPolarHBondContact O-CB 3.4Å; V913-L916 PolarHBondContact O-N 3.31Å; V913-I945 HydrophobicContact CG2-CD1 3.61Å; V913-I945 HydrophobicContact CG2-CG2 4.13Å; V913-L971 HydrophobicContact CG1-CD1 4.38Å; V913-L971 HydrophobicContact CG2-CD1 4Å; V913-V974 HydrophobicContact CG1-CB 4.17Å; V913-V974 HydrophobicContact CG1-CG1 4.33Å; V913-V974 HydrophobicContact CG1-CG2 3.69Å |
| 914 | R | 81.4 | Confident | 72 | Confident | 181 Ų | 181 | 60.8 Ų | 60.8 | 68% | 0.683 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -55.3 | -40.6 | -172.6 | -168.1 | -175.5 | -141.7 | 159.5 | 6 | 113.9 | P910 L916 Q917 | P910-R914 WeakPolarHBondContact O-CB 3.34Å; P910-R914 PolarHBondContact O-N 3.43Å; R914-L916 PolarHBondContact O-N 3.41Å; R914-L916 VanDerWaalsContact O-N 3.15Å; R914-Q917 PolarHBondContact O-N 3.32Å |
| 915 | P | 79.4 | Confident | 69.4 | Low | 29 Ų | 29 | 64.8 Ų | 64.8 | 19% | 0.188 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -60.3 | -16.7 | 173 | -31.3 | 42.7 | 0 | 0 | 0 | 115.7 | T856 K911 V913 | T856-P915 VanDerWaalsContact O-CB 3.27Å; T856-P915 WeakPolarHBondContact O-CB 3.31Å; K911-P915 VanDerWaalsContact O-CD 3.23Å; K911-P915 WeakPolarHBondContact O-CD 3.48Å; V913-P915 VanDerWaalsContact C-CD 3.49Å |
| 916 | L | 79.6 | Confident | 66.6 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -93.7 | -1.8 | -174 | -49.3 | 176.5 | 0 | 0 | 0 | 112.7 | A858 V913 R914 S918 E941 I942 I945 V974 | A858-L916 HydrophobicContact CB-CD2 3.85Å; V913-L916 WeakPolarHBondContact O-CA 3.5Å; V913-L916 VanDerWaalsContact O-CB 3.26Å; V913-L916 WeakPolarHBondContact O-CB 3.4Å; V913-L916 PolarHBondContact O-N 3.31Å; R914-L916 PolarHBondContact O-N 3.41Å; R914-L916 VanDerWaalsContact O-N 3.15Å; L916-S918 PolarHBondContact O-N 3.39Å; L916-E941 HydrophobicContact CD1-CB 3.7Å; L916-E941 HydrophobicContact CD2-CB 3.78Å; L916-E941 HydrophobicContact CD2-CG 4.46Å; L916-E941 HydrophobicContact CG-CB 4.43Å; L916-I942 HydrophobicContact CB-CD1 4.26Å; L916-I942 HydrophobicContact CB-CG1 3.88Å; L916-I942 HydrophobicContact CD1-CG1 3.73Å; L916-I942 HydrophobicContact CG-CG1 4.42Å; L916-I945 HydrophobicContact CD1-CD1 3.94Å; L916-V974 HydrophobicContact CB-CG1 4.48Å |
| 917 | Q | 76.9 | Confident | 63.8 | Low | 70 Ų | 70 | 74.2 Ų | 74.2 | 33% | 0.327 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -66.5 | 130.9 | 175 | -70.2 | -167.3 | -52.2 | 0 | 0 | 110.7 | R914 T919 H970 V974 | R914-Q917 PolarHBondContact O-N 3.32Å; Q917-T919 PolarHBondContact O-N 3.27Å; Q917-H970 VanDerWaalsContact CD-CE1 3.44Å; Q917-H970 PolarHBondContact NE2-CE1 3.06Å; Q917-V974 HydrophobicContact CG-CG2 3.59Å |
| 918 | S | 65.6 | Low | 61.6 | Low | 30 Ų | 30 | 77.6 Ų | 77.6 | 21% | 0.21 | 45% | 0.446 | C | S | . | . | trans | -61.7 | 124.9 | 176.1 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | L916 V920 E981 | L916-S918 PolarHBondContact O-N 3.39Å; S918-V920 PolarHBondContact O-N 3.35Å; S918-E981 WeakPolarHBondContact CB-OE1 3.49Å; S918-E981 PolarHBondContact OG-OE1 2.99Å | ||
| 919 | T | 57 | Low | 59.8 | Low | 133 Ų | 133 | 84 Ų | 84 | 82% | 0.816 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -71.8 | -5.1 | 172.6 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | Q917 A921 | Q917-T919 PolarHBondContact O-N 3.27Å; T919-A921 VanDerWaalsContact C-N 3.33Å; T919-A921 PolarHBondContact O-N 3.24Å |
| 920 | V | 50.8 | Low | 58.4 | Low | 79 Ų | 79 | 85.2 Ų | 85.2 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -79.8 | -8.9 | -171.1 | -171.9 | 0 | 0 | 0 | 0 | 113.5 | S918 G922 | S918-V920 PolarHBondContact O-N 3.35Å; V920-G922 PolarHBondContact O-N 2.71Å |
| 921 | A | 38.5 | Very low | 57.5 | Low | 100 Ų | 100 | 88.1 Ų | 88.1 | 83% | 0.826 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -73.1 | 10.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T919 | T919-A921 VanDerWaalsContact C-N 3.33Å; T919-A921 PolarHBondContact O-N 3.24Å |
| 922 | G | 32.1 | Very low | 56.7 | Low | 52 Ų | 52 | 86.5 Ų | 86.5 | 54% | 0.536 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -108 | -17.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | V920 | V920-G922 PolarHBondContact O-N 2.71Š|
| 923 | Y | 32.7 | Very low | 55.7 | Low | 201 Ų | 201 | 91.1 Ų | 91.1 | 79% | 0.788 | 53% | 0.529 | S | S | * | . | trans | -141.6 | 109.7 | -171.6 | -63.8 | -79.7 | 0 | 0 | 0 | 112.7 | T925 | Y923-T925 VanDerWaalsContact C-N 3.29Å; Y923-T925 PolarHBondContact O-N 3.34Å | ||
| 924 | T | 31 | Very low | 55.4 | Low | 148 Ų | 148 | 92.7 Ų | 92.7 | 91% | 0.908 | 54% | 0.537 | S | S | * | . | trans | -69.7 | 81 | 170.3 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 925 | T | 34.1 | Very low | 55.3 | Low | 101 Ų | 101 | 84.1 Ų | 84.1 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | trans | -143.5 | 108.9 | 158.5 | 46.7 | 0 | 0 | 0 | 0 | 108.3 | Y923 S927 | Y923-T925 VanDerWaalsContact C-N 3.29Å; Y923-T925 PolarHBondContact O-N 3.34Å; T925-S927 PolarHBondContact O-N 2.86Å | ||
| 926 | S | 32.7 | Very low | 55.3 | Low | 124 Ų | 124 | 85.3 Ų | 85.3 | 87% | 0.867 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -39.9 | 121.1 | 165.8 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 927 | S | 33.2 | Very low | 55.4 | Low | 117 Ų | 117 | 87.1 Ų | 87.1 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | trans | 118.4 | 42.6 | 172.1 | -163.5 | 0 | 0 | 0 | 0 | 116.7 | T925 | T925-S927 PolarHBondContact O-N 2.86Š| ||
| 928 | Q | 43.3 | Very low | 55.9 | Low | 144 Ų | 144 | 84.2 Ų | 84.2 | 67% | 0.673 | 50% | 0.502 | S | S | * | . | trans | -105.9 | 120 | 158.6 | -74.1 | -171.7 | -8.2 | 0 | 0 | 110.3 | ||||
| 929 | V | 52 | Low | 57 | Low | 136 Ų | 136 | 82.8 Ų | 82.8 | 82% | 0.824 | 49% | 0.492 | S | S | * | . | trans | -70.2 | 125.5 | 175.3 | -180 | 0 | 0 | 0 | 0 | 107.6 | D931 | V929-D931 PolarHBondContact O-N 3.49Š| ||
| 930 | L | 60.1 | Low | 58.4 | Low | 26 Ų | 26 | 79.9 Ų | 79.9 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | trans | -60.3 | 125.6 | 173.2 | -160 | 84.2 | 0 | 0 | 0 | 108.4 | T932 A935 W939 E981 | L930-T932 PolarHBondContact O-N 3.19Å; L930-A935 HydrophobicContact CD2-CB 3.48Å; L930-A935 VanDerWaalsContact CD2-CB 3.48Å; L930-A935 HydrophobicContact CG-CB 3.99Å; L930-W939 HydrophobicContact CD2-CH2 4.46Å; L930-W939 HydrophobicContact CD2-CZ2 4.27Å; L930-E981 HydrophobicContact CD1-CB 4.49Å | ||
| 931 | D | 68 | Low | 60.2 | Low | 106 Ų | 106 | 76.1 Ų | 76.1 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | trans | -67.4 | 107.1 | 168.5 | -170.2 | -17.7 | 0 | 0 | 0 | 107.8 | V929 V933 D934 A935 | V929-D931 PolarHBondContact O-N 3.49Å; D931-V933 VanDerWaalsContact C-N 3.25Å; D931-V933 PolarHBondContact O-N 2.94Å; D931-V933 PolarHBondContact OD1-N 3.48Å; D931-D934 HydrophobicContact CB-CB 4.16Å; D931-D934 PolarHBondContact O-N 3.05Å; D931-A935 WeakPolarHBondContact O-CB 2.86Å; D931-A935 PolarHBondContact O-N 3.45Å | ||
| 932 | T | 68.7 | Low | 62.6 | Low | 35 Ų | 35 | 71.4 Ų | 71.4 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.2 | -33.5 | -169.5 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | L930 E936 P984 L990 | L930-T932 PolarHBondContact O-N 3.19Å; T932-E936 WeakPolarHBondContact O-CB 3.37Å; T932-E936 PolarHBondContact O-N 3.46Å; T932-E936 VanDerWaalsContact O-N 3.08Å; T932-P984 HydrophobicContact CG2-CG 4.03Å; T932-L990 HydrophobicContact CG2-CD1 3.87Å |
| 933 | V | 67.5 | Low | 65.5 | Low | 98 Ų | 98 | 71.4 Ų | 71.4 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74 | -45.1 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | D931 A935 E936 Q937 | D931-V933 VanDerWaalsContact C-N 3.25Å; D931-V933 PolarHBondContact O-N 2.94Å; D931-V933 PolarHBondContact OD1-N 3.48Å; V933-A935 PolarHBondContact O-N 3.4Å; V933-E936 PolarHBondContact O-N 3.48Å; V933-Q937 PolarHBondContact O-N 2.72Å; V933-Q937 VanDerWaalsContact O-N 3.07Å |
| 934 | D | 77.9 | Confident | 68.2 | Low | 36 Ų | 36 | 64.2 Ų | 64.2 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.2 | 177 | 60.4 | 0 | 0 | 0 | 111.4 | A859 D931 E936 Q937 R938 | A859-D934 HydrophobicContact CB-CB 4.32Å; D931-D934 HydrophobicContact CB-CB 4.16Å; D931-D934 PolarHBondContact O-N 3.05Å; D934-E936 PolarHBondContact O-N 2.8Å; D934-Q937 PolarHBondContact O-N 2.86Å; D934-R938 WeakPolarHBondContact O-CB 3.31Å; D934-R938 VanDerWaalsContact O-CG 3.26Å; D934-R938 WeakPolarHBondContact O-CG 3.4Å; D934-R938 PolarHBondContact O-N 3.27Å; D934-R938 IonicContact OD1-NE 2.87Å; D934-R938 WeakPolarHBondContact OD2-CD 3.4Å; D934-R938 IonicContact OD2-CZ 3.21Å; D934-R938 IonicContact OD2-NE 3.25Å; D934-R938 PolarHBondContact OD2-NE 3.32Å; D934-R938 IonicContact OD2-NH2 3.83Å |
| 935 | A | 79.5 | Confident | 71.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L930 D931 V933 Q937 R938 W939 L990 | L930-A935 HydrophobicContact CD2-CB 3.48Å; L930-A935 VanDerWaalsContact CD2-CB 3.48Å; L930-A935 HydrophobicContact CG-CB 3.99Å; D931-A935 WeakPolarHBondContact O-CB 2.86Å; D931-A935 PolarHBondContact O-N 3.45Å; V933-A935 PolarHBondContact O-N 3.4Å; A935-Q937 PolarHBondContact O-N 3.21Å; A935-R938 PolarHBondContact O-N 2.86Å; A935-W939 HydrophobicContact CB-CZ2 4.12Å; A935-W939 WeakPolarHBondContact O-CB 3.38Å; A935-W939 VanDerWaalsContact O-CD1 3.26Å; A935-W939 PolarHBondContact O-N 2.9Å; A935-L990 HydrophobicContact CB-CD2 4.41Å |
| 936 | E | 81 | Confident | 74 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 177.6 | -165.5 | 176.2 | 141.4 | 0 | 0 | 111.3 | T932 V933 D934 K940 T989 L990 E993 | T932-E936 WeakPolarHBondContact O-CB 3.37Å; T932-E936 PolarHBondContact O-N 3.46Å; T932-E936 VanDerWaalsContact O-N 3.08Å; V933-E936 PolarHBondContact O-N 3.48Å; D934-E936 PolarHBondContact O-N 2.8Å; E936-K940 VanDerWaalsContact O-CB 3.29Å; E936-K940 WeakPolarHBondContact O-CB 3.49Å; E936-K940 PolarHBondContact O-N 3.42Å; E936-T989 PolarHBondContact OE2-OG1 3.29Å; E936-L990 HydrophobicContact CB-CD2 3.63Å; E936-L990 HydrophobicContact CG-CD2 4.17Å; E936-E993 HydrophobicContact CG-CG 4.13Å |
| 937 | Q | 81.8 | Confident | 76.9 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | -178.9 | -174.6 | 166.8 | -10.1 | 0 | 0 | 112.1 | A858 V933 D934 A935 K940 E941 | A858-Q937 PolarHBondContact O-NE2 3.34Å; V933-Q937 PolarHBondContact O-N 2.72Å; V933-Q937 VanDerWaalsContact O-N 3.07Å; D934-Q937 PolarHBondContact O-N 2.86Å; A935-Q937 PolarHBondContact O-N 3.21Å; Q937-K940 PolarHBondContact O-N 3.34Å; Q937-E941 PolarHBondContact O-N 3.21Å |
| 938 | R | 86.7 | Confident | 79.8 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 4% | 0.038 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -51.7 | 175.7 | -76.3 | -174.3 | -58.6 | 105.1 | 2.5 | 111.3 | A858 D934 A935 K940 E941 I942 E981 | A858-R938 HydrophobicContact CB-CG 3.43Å; A858-R938 VanDerWaalsContact CB-CG 3.43Å; D934-R938 WeakPolarHBondContact O-CB 3.31Å; D934-R938 VanDerWaalsContact O-CG 3.26Å; D934-R938 WeakPolarHBondContact O-CG 3.4Å; D934-R938 PolarHBondContact O-N 3.27Å; D934-R938 IonicContact OD1-NE 2.87Å; D934-R938 WeakPolarHBondContact OD2-CD 3.4Å; D934-R938 IonicContact OD2-CZ 3.21Å; D934-R938 IonicContact OD2-NE 3.25Å; D934-R938 PolarHBondContact OD2-NE 3.32Å; D934-R938 IonicContact OD2-NH2 3.83Å; A935-R938 PolarHBondContact O-N 2.86Å; R938-K940 VanDerWaalsContact C-N 3.31Å; R938-K940 PolarHBondContact O-N 2.99Å; R938-E941 PolarHBondContact O-N 2.97Å; R938-I942 VanDerWaalsContact O-CG1 3.24Å; R938-I942 WeakPolarHBondContact O-CG1 3.3Å; R938-I942 PolarHBondContact O-N 2.97Å; R938-E981 IonicContact CZ-OE1 3.4Å; R938-E981 IonicContact CZ-OE2 2.67Å; R938-E981 IonicContact NH1-OE1 2.84Å; R938-E981 PolarHBondContact NH1-OE1 2.68Å; R938-E981 IonicContact NH1-OE2 3.47Å; R938-E981 PolarHBondContact NH1-OE2 3.35Å; R938-E981 IonicContact NH2-OE1 3.32Å; R938-E981 PolarHBondContact NH2-OE1 3.17Å; R938-E981 IonicContact NH2-OE2 3.99Å; R938-E981 PolarHBondContact NH2-OE2 2.95Å |
| 939 | W | 88.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | -176.8 | -61.8 | -4.6 | 0 | 0 | 0 | 111.9 | L930 A935 I942 R943 E981 L983 L990 E993 K994 L997 | L930-W939 HydrophobicContact CD2-CH2 4.46Å; L930-W939 HydrophobicContact CD2-CZ2 4.27Å; A935-W939 HydrophobicContact CB-CZ2 4.12Å; A935-W939 WeakPolarHBondContact O-CB 3.38Å; A935-W939 VanDerWaalsContact O-CD1 3.26Å; A935-W939 PolarHBondContact O-N 2.9Å; W939-I942 PolarHBondContact O-N 3.37Å; W939-R943 WeakPolarHBondContact O-CB 3.49Å; W939-R943 PolarHBondContact O-N 3.45Å; W939-E981 HydrophobicContact CZ2-CB 3.99Å; W939-E981 WeakPolarHBondContact CZ2-OE2 3.4Å; W939-E981 PolarHBondContact NE1-OE2 2.96Å; W939-L983 HydrophobicContact CH2-CD2 3.84Å; W939-L983 HydrophobicContact CH2-CG 4.26Å; W939-L983 HydrophobicContact CZ3-CD2 3.92Å; W939-L990 HydrophobicContact CE3-CD2 4.23Å; W939-L990 HydrophobicContact CH2-CD2 4.47Å; W939-L990 HydrophobicContact CZ3-CB 4.04Å; W939-L990 HydrophobicContact CZ3-CD2 3.9Å; W939-L990 WeakPolarHBondContact CZ3-O 3.47Å; W939-E993 HydrophobicContact CE3-CB 4.39Å; W939-K994 HydrophobicContact CE3-CB 4.12Å; W939-K994 HydrophobicContact CH2-CD 4.36Å; W939-K994 HydrophobicContact CZ3-CB 3.84Å; W939-K994 HydrophobicContact CZ3-CD 4.42Å; W939-K994 HydrophobicContact CZ3-CG 4.39Å; W939-L997 HydrophobicContact CB-CD2 4.21Å; W939-L997 HydrophobicContact CG-CD2 4.32Å |
| 940 | K | 87 | Confident | 84.1 | Confident | 72 Ų | 72 | 32.2 Ų | 32.2 | 31% | 0.313 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.2 | -176.8 | 167.7 | 173.2 | -172.1 | 0 | 112.2 | E936 Q937 R938 R943 D944 | E936-K940 VanDerWaalsContact O-CB 3.29Å; E936-K940 WeakPolarHBondContact O-CB 3.49Å; E936-K940 PolarHBondContact O-N 3.42Å; Q937-K940 PolarHBondContact O-N 3.34Å; R938-K940 VanDerWaalsContact C-N 3.31Å; R938-K940 PolarHBondContact O-N 2.99Å; K940-R943 PolarHBondContact O-N 3.47Å; K940-D944 VanDerWaalsContact O-CG 3.23Å; K940-D944 PolarHBondContact O-N 2.94Å |
| 941 | E | 87.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 176.5 | -75.4 | -157.8 | -126.2 | 0 | 0 | 113.2 | R863 Q864 R871 L916 Q937 R938 R943 D944 I945 | R863-E941 IonicContact CZ-OE2 3.87Å; R863-E941 IonicContact NH1-OE1 2.76Å; R863-E941 PolarHBondContact NH1-OE1 2.84Å; R863-E941 IonicContact NH1-OE2 3.12Å; R863-E941 PolarHBondContact NH1-OE2 3.02Å; Q864-E941 HydrophobicContact CB-CG 4.33Å; Q864-E941 HydrophobicContact CG-CG 3.93Å; R871-E941 IonicContact NH1-OE2 3.69Å; R871-E941 PolarHBondContact NH1-OE2 3.13Å; L916-E941 HydrophobicContact CD1-CB 3.7Å; L916-E941 HydrophobicContact CD2-CB 3.78Å; L916-E941 HydrophobicContact CD2-CG 4.46Å; L916-E941 HydrophobicContact CG-CB 4.43Å; Q937-E941 PolarHBondContact O-N 3.21Å; R938-E941 PolarHBondContact O-N 2.97Å; E941-R943 VanDerWaalsContact C-N 3.34Å; E941-D944 PolarHBondContact O-N 2.85Å; E941-I945 WeakPolarHBondContact O-CG1 3.44Å; E941-I945 PolarHBondContact O-N 3.24Å |
| 942 | I | 90.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.6 | -65.6 | 161.9 | 0 | 0 | 0 | 109.5 | L916 R938 W939 D944 I945 V974 I975 A978 L997 | L916-I942 HydrophobicContact CB-CD1 4.26Å; L916-I942 HydrophobicContact CB-CG1 3.88Å; L916-I942 HydrophobicContact CD1-CG1 3.73Å; L916-I942 HydrophobicContact CG-CG1 4.42Å; R938-I942 VanDerWaalsContact O-CG1 3.24Å; R938-I942 WeakPolarHBondContact O-CG1 3.3Å; R938-I942 PolarHBondContact O-N 2.97Å; W939-I942 PolarHBondContact O-N 3.37Å; I942-D944 VanDerWaalsContact C-N 3.29Å; I942-D944 PolarHBondContact O-N 3.45Å; I942-I945 PolarHBondContact O-N 2.83Å; I942-I945 VanDerWaalsContact O-N 3.16Å; I942-V974 HydrophobicContact CD1-CG1 3.58Å; I942-V974 HydrophobicContact CG1-CG1 3.87Å; I942-I975 HydrophobicContact CG2-CB 4.46Å; I942-I975 HydrophobicContact CG2-CD1 4.42Å; I942-I975 HydrophobicContact CG2-CG1 3.43Å; I942-I975 VanDerWaalsContact CG2-CG1 3.43Å; I942-A978 HydrophobicContact CD1-CB 3.99Å; I942-L997 HydrophobicContact CB-CD1 4.23Å; I942-L997 HydrophobicContact CG2-CD1 3.71Å |
| 943 | R | 91.4 | Very high | 87.8 | Confident | 52 Ų | 52 | 26.5 Ų | 26.5 | 20% | 0.196 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.2 | -39.4 | 178 | -174.3 | -170.6 | 67.6 | -163.3 | -0.8 | 111.9 | W939 K940 E941 I945 I946 P947 E993 L997 | W939-R943 WeakPolarHBondContact O-CB 3.49Å; W939-R943 PolarHBondContact O-N 3.45Å; K940-R943 PolarHBondContact O-N 3.47Å; E941-R943 VanDerWaalsContact C-N 3.34Å; R943-I945 VanDerWaalsContact C-N 3.26Å; R943-I945 PolarHBondContact O-N 3.26Å; R943-I946 PolarHBondContact O-N 2.91Å; R943-P947 WeakPolarHBondContact O-CD 3.48Å; R943-E993 IonicContact CZ-OE1 3.51Å; R943-E993 IonicContact CZ-OE2 3.88Å; R943-E993 VanDerWaalsContact CZ-OE2 3.27Å; R943-E993 IonicContact NH1-OE1 2.9Å; R943-E993 PolarHBondContact NH1-OE1 2.52Å; R943-E993 IonicContact NH1-OE2 2.67Å; R943-E993 PolarHBondContact NH1-OE2 3.34Å; R943-E993 IonicContact NH2-OE1 2.64Å; R943-E993 IonicContact NH2-OE2 3.05Å; R943-L997 HydrophobicContact CB-CD1 4.17Å |
| 944 | D | 90.7 | Very high | 88.9 | Confident | 49 Ų | 49 | 26.4 Ų | 26.4 | 26% | 0.262 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -68.7 | -19.7 | 179.8 | -72.5 | -6.5 | 0 | 0 | 0 | 113.9 | R871 K940 E941 I942 | R871-D944 IonicContact CZ-OD2 2.76Å; R871-D944 IonicContact NH2-OD2 3.8Å; R871-D944 PolarHBondContact NH2-OD2 3.44Å; K940-D944 VanDerWaalsContact O-CG 3.23Å; K940-D944 PolarHBondContact O-N 2.94Å; E941-D944 PolarHBondContact O-N 2.85Å; I942-D944 VanDerWaalsContact C-N 3.29Å; I942-D944 PolarHBondContact O-N 3.45Å |
| 945 | I | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -82 | -29.7 | 176.9 | -67.4 | 167.5 | 0 | 0 | 0 | 111.4 | V909 L912 V913 L916 E941 I942 R943 L948 V949 L971 | V909-I945 HydrophobicContact CG1-CG2 4.39Å; L912-I945 HydrophobicContact CB-CD1 3.93Å; V913-I945 HydrophobicContact CG2-CD1 3.61Å; V913-I945 HydrophobicContact CG2-CG2 4.13Å; L916-I945 HydrophobicContact CD1-CD1 3.94Å; E941-I945 WeakPolarHBondContact O-CG1 3.44Å; E941-I945 PolarHBondContact O-N 3.24Å; I942-I945 PolarHBondContact O-N 2.83Å; I942-I945 VanDerWaalsContact O-N 3.16Å; R943-I945 VanDerWaalsContact C-N 3.26Å; R943-I945 PolarHBondContact O-N 3.26Å; I945-L948 WeakPolarHBondContact O-CB 3.45Å; I945-L948 PolarHBondContact O-N 3.15Å; I945-V949 HydrophobicContact CG2-CG2 4.3Å; I945-V949 PolarHBondContact O-N 3.42Å; I945-L971 HydrophobicContact CG2-CD1 4.34Å |
| 946 | I | 93.3 | Very high | 89.8 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.7 | -45.9 | -177.1 | -67.8 | 173.6 | 0 | 0 | 0 | 112.8 | R943 L948 V949 T950 I975 L997 L1004 | R943-I946 PolarHBondContact O-N 2.91Å; I946-L948 VanDerWaalsContact C-N 3.28Å; I946-L948 PolarHBondContact O-N 2.93Å; I946-V949 PolarHBondContact O-N 3Å; I946-T950 WeakPolarHBondContact O-CB 3.49Å; I946-T950 PolarHBondContact O-N 3.5Å; I946-T950 PolarHBondContact O-OG1 2.98Å; I946-I975 HydrophobicContact CD1-CD1 3.97Å; I946-I975 HydrophobicContact CG1-CD1 4.08Å; I946-L997 HydrophobicContact CD1-CD1 4.13Å; I946-L1004 HydrophobicContact CG1-CD2 4.44Å; I946-L1004 HydrophobicContact CG2-CB 3.84Å; I946-L1004 HydrophobicContact CG2-CD1 4.43Å; I946-L1004 HydrophobicContact CG2-CD2 4.28Å; I946-L1004 HydrophobicContact CG2-CG 4.4Å |
| 947 | P | 94.6 | Very high | 90.1 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 42% | 0.422 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.1 | -34.4 | 176.3 | -27.7 | 36.3 | 0 | 0 | 0 | 114 | R943 T950 Q951 | R943-P947 WeakPolarHBondContact O-CD 3.48Å; P947-T950 PolarHBondContact O-N 3.41Å; P947-Q951 WeakPolarHBondContact O-CB 3.49Å; P947-Q951 PolarHBondContact O-N 3.34Å |
| 948 | L | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -48.6 | -179.1 | 178.7 | 61.5 | 0 | 0 | 0 | 110.2 | L874 H875 V878 L905 V909 I945 I946 T950 Q951 V952 | L874-L948 HydrophobicContact CB-CD1 4.1Å; L874-L948 HydrophobicContact CB-CD2 4.06Å; L874-L948 HydrophobicContact CD1-CD2 4.15Å; H875-L948 HydrophobicContact CB-CD1 4.37Å; H875-L948 WeakPolarHBondContact CE1-CA 3.46Å; H875-L948 PolarHBondContact CE1-N 3.21Å; V878-L948 HydrophobicContact CG2-CD1 4.28Å; L905-L948 HydrophobicContact CD2-CD2 4.49Å; V909-L948 HydrophobicContact CG2-CD2 4.38Å; I945-L948 WeakPolarHBondContact O-CB 3.45Å; I945-L948 PolarHBondContact O-N 3.15Å; I946-L948 VanDerWaalsContact C-N 3.28Å; I946-L948 PolarHBondContact O-N 2.93Å; L948-T950 VanDerWaalsContact C-N 3.32Å; L948-T950 PolarHBondContact O-N 2.98Å; L948-Q951 PolarHBondContact O-N 3.13Å; L948-V952 WeakPolarHBondContact O-CG2 3.36Å; L948-V952 PolarHBondContact O-N 2.81Å |
| 949 | V | 92.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 176 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | I945 I946 Q951 V952 V953 F963 L964 L971 L1004 | I945-V949 HydrophobicContact CG2-CG2 4.3Å; I945-V949 PolarHBondContact O-N 3.42Å; I946-V949 PolarHBondContact O-N 3Å; V949-Q951 VanDerWaalsContact C-N 3.32Å; V949-Q951 PolarHBondContact O-N 3.16Å; V949-V952 PolarHBondContact O-N 3.23Å; V949-V953 HydrophobicContact CG1-CG2 4.44Å; V949-V953 VanDerWaalsContact O-CG2 3.26Å; V949-V953 WeakPolarHBondContact O-CG2 3.35Å; V949-V953 PolarHBondContact O-N 3.01Å; V949-F963 HydrophobicContact CG1-CE1 4.21Å; V949-F963 HydrophobicContact CG2-CZ 4.31Å; V949-L964 HydrophobicContact CG1-CD2 4Å; V949-L971 HydrophobicContact CB-CD2 4.44Å; V949-L971 HydrophobicContact CG2-CD2 3.79Å; V949-L1004 HydrophobicContact CB-CD1 4.32Å; V949-L1004 HydrophobicContact CG1-CD1 4.03Å |
| 950 | T | 93.2 | Very high | 90.2 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | I946 P947 L948 V953 L954 L1004 T1007 | I946-T950 WeakPolarHBondContact O-CB 3.49Å; I946-T950 PolarHBondContact O-N 3.5Å; I946-T950 PolarHBondContact O-OG1 2.98Å; P947-T950 PolarHBondContact O-N 3.41Å; L948-T950 VanDerWaalsContact C-N 3.32Å; L948-T950 PolarHBondContact O-N 2.98Å; T950-V953 PolarHBondContact O-N 3.15Å; T950-L954 HydrophobicContact CG2-CD1 4.02Å; T950-L954 WeakPolarHBondContact O-CB 3.03Å; T950-L954 WeakPolarHBondContact O-CG 3.41Å; T950-L954 PolarHBondContact O-N 3.33Å; T950-L1004 WeakPolarHBondContact OG1-CD1 3.45Å; T950-T1007 HydrophobicContact CG2-CG2 3.75Å |
| 951 | Q | 92.6 | Very high | 90.1 | Very high | 48 Ų | 48 | 36 Ų | 36 | 22% | 0.224 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 177.2 | -172.7 | -172.6 | -12.4 | 0 | 0 | 111.9 | H875 V878 P947 L948 V949 L954 R955 | H875-Q951 PolarHBondContact ND1-OE1 2.98Å; H875-Q951 PolarHBondContact O-NE2 3.46Å; H875-Q951 PolarHBondContact O-OE1 2.97Å; V878-Q951 HydrophobicContact CG1-CB 4.45Å; V878-Q951 HydrophobicContact CG1-CG 3.78Å; P947-Q951 WeakPolarHBondContact O-CB 3.49Å; P947-Q951 PolarHBondContact O-N 3.34Å; L948-Q951 PolarHBondContact O-N 3.13Å; V949-Q951 VanDerWaalsContact C-N 3.32Å; V949-Q951 PolarHBondContact O-N 3.16Å; Q951-L954 PolarHBondContact O-N 2.81Å; Q951-R955 VanDerWaalsContact O-CB 3.26Å; Q951-R955 WeakPolarHBondContact O-CB 3.27Å; Q951-R955 PolarHBondContact O-N 3.27Å |
| 952 | V | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 176.3 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | V878 L902 L905 L948 V949 L954 R955 Y956 F963 | V878-V952 HydrophobicContact CG1-CG2 4.02Å; V878-V952 HydrophobicContact CG2-CG2 3.73Å; L902-V952 HydrophobicContact CD2-CG1 4.02Å; L905-V952 HydrophobicContact CD1-CG2 3.82Å; L948-V952 WeakPolarHBondContact O-CG2 3.36Å; L948-V952 PolarHBondContact O-N 2.81Å; V949-V952 PolarHBondContact O-N 3.23Å; V952-L954 PolarHBondContact O-N 3.17Å; V952-R955 PolarHBondContact O-N 3.35Å; V952-Y956 HydrophobicContact CG1-CD2 4.38Å; V952-Y956 WeakPolarHBondContact O-CB 3.48Å; V952-Y956 PolarHBondContact O-N 2.95Å; V952-F963 HydrophobicContact CB-CD1 4.41Å; V952-F963 HydrophobicContact CB-CE1 4.03Å; V952-F963 HydrophobicContact CG1-CD1 3.63Å; V952-F963 HydrophobicContact CG1-CE1 3.75Å; V952-F963 HydrophobicContact CG1-CG 4.38Å; V952-F963 HydrophobicContact CG2-CE1 4.4Å |
| 953 | V | 90.7 | Very high | 90 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.5 | -51.4 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | V949 T950 R955 K957 L964 T1007 I1008 I1012 | V949-V953 HydrophobicContact CG1-CG2 4.44Å; V949-V953 VanDerWaalsContact O-CG2 3.26Å; V949-V953 WeakPolarHBondContact O-CG2 3.35Å; V949-V953 PolarHBondContact O-N 3.01Å; T950-V953 PolarHBondContact O-N 3.15Å; V953-R955 VanDerWaalsContact C-N 3.33Å; V953-R955 PolarHBondContact O-N 3.04Å; V953-K957 VanDerWaalsContact O-CA 3.26Å; V953-K957 WeakPolarHBondContact O-CA 3.37Å; V953-K957 PolarHBondContact O-N 2.86Å; V953-L964 HydrophobicContact CG2-CD1 3.91Å; V953-L964 HydrophobicContact CG2-CD2 3.67Å; V953-L964 HydrophobicContact CG2-CG 4.29Å; V953-T1007 HydrophobicContact CG1-CG2 4.49Å; V953-I1008 HydrophobicContact CG1-CG1 4.49Å; V953-I1008 HydrophobicContact CG2-CG1 4.16Å; V953-I1012 HydrophobicContact CG1-CD1 4.23Å; V953-I1012 HydrophobicContact CG1-CG1 4.48Å |
| 954 | L | 90.5 | Very high | 89.8 | Confident | 95 Ų | 95 | 37.7 Ų | 37.7 | 50% | 0.497 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.6 | -35.6 | -176.1 | -74.4 | 171.6 | 0 | 0 | 0 | 112.9 | T950 Q951 V952 T1007 | T950-L954 HydrophobicContact CG2-CD1 4.02Å; T950-L954 WeakPolarHBondContact O-CB 3.03Å; T950-L954 WeakPolarHBondContact O-CG 3.41Å; T950-L954 PolarHBondContact O-N 3.33Å; Q951-L954 PolarHBondContact O-N 2.81Å; V952-L954 PolarHBondContact O-N 3.17Å; L954-T1007 HydrophobicContact CD1-CG2 4.14Å; L954-T1007 HydrophobicContact CD2-CG2 3.61Å; L954-T1007 HydrophobicContact CG-CG2 3.69Å |
| 955 | R | 88.2 | Confident | 89.6 | Confident | 91 Ų | 91 | 38.9 Ų | 38.9 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -89.6 | -44.1 | -173.9 | -171.9 | 170.6 | 172.8 | 134.8 | -13.5 | 113.5 | V878 A879 I881 P883 Q951 V952 V953 | V878-R955 WeakPolarHBondContact O-CD 3.41Å; V878-R955 PolarHBondContact O-NE 3.23Å; A879-R955 VanDerWaalsContact C-CZ 3.45Å; A879-R955 VanDerWaalsContact CA-NH1 3.32Å; A879-R955 PolarHBondContact O-NH1 3.34Å; A879-R955 PolarHBondContact O-NH2 2.82Å; I881-R955 PolarHBondContact O-NE 3.25Å; I881-R955 PolarHBondContact O-NH2 2.86Å; P883-R955 HydrophobicContact CG-CG 4.35Å; P883-R955 WeakPolarHBondContact CG-O 3.28Å; Q951-R955 VanDerWaalsContact O-CB 3.26Å; Q951-R955 WeakPolarHBondContact O-CB 3.27Å; Q951-R955 PolarHBondContact O-N 3.27Å; V952-R955 PolarHBondContact O-N 3.35Å; V953-R955 VanDerWaalsContact C-N 3.33Å; V953-R955 PolarHBondContact O-N 3.04Å |
| 956 | Y | 87.5 | Confident | 89.3 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -92.8 | -15.7 | -177 | -72.4 | -93.5 | 0 | 0 | 0 | 112.7 | V878 I881 P883 L901 L902 V952 N958 Q959 | V878-Y956 HydrophobicContact CG1-CD2 4.4Å; V878-Y956 HydrophobicContact CG1-CE2 3.92Å; I881-Y956 PolarHBondContact O-OH 3.45Å; P883-Y956 HydrophobicContact CB-CD1 4.02Å; P883-Y956 HydrophobicContact CB-CE1 4.22Å; P883-Y956 HydrophobicContact CG-CD1 4.04Å; P883-Y956 HydrophobicContact CG-CE1 4.13Å; P883-Y956 HydrophobicContact CG-CG 4.41Å; L901-Y956 HydrophobicContact CD2-CE2 4.48Å; L901-Y956 WeakPolarHBondContact CD2-OH 3.44Å; L902-Y956 HydrophobicContact CD1-CD1 4.18Å; L902-Y956 HydrophobicContact CD2-CD1 4.38Å; L902-Y956 HydrophobicContact CD2-CG 4.32Å; L902-Y956 HydrophobicContact CG-CD1 4.45Å; V952-Y956 HydrophobicContact CG1-CD2 4.38Å; V952-Y956 WeakPolarHBondContact O-CB 3.48Å; V952-Y956 PolarHBondContact O-N 2.95Å; Y956-N958 PolarHBondContact O-N 3.27Å; Y956-Q959 HydrophobicContact CD1-CB 4.45Å; Y956-Q959 WeakPolarHBondContact O-CB 3.49Å; Y956-Q959 PolarHBondContact O-N 3.12Å |
| 957 | K | 87.3 | Confident | 89 | Confident | 127 Ų | 127 | 42.8 Ų | 42.8 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | 45.7 | -122.4 | 177.5 | -58.8 | -178.2 | -179.6 | 177.7 | 0 | 110.6 | V953 Q959 S960 I1012 | V953-K957 VanDerWaalsContact O-CA 3.26Å; V953-K957 WeakPolarHBondContact O-CA 3.37Å; V953-K957 PolarHBondContact O-N 2.86Å; K957-Q959 PolarHBondContact O-N 3.02Å; K957-Q959 VanDerWaalsContact O-N 3.11Å; K957-S960 WeakPolarHBondContact O-CB 3.24Å; K957-S960 PolarHBondContact O-N 2.69Å; K957-S960 PolarHBondContact O-OG 3.17Å; K957-I1012 WeakPolarHBondContact O-CD1 3.31Å |
| 958 | N | 85.2 | Confident | 88.6 | Confident | 102 Ų | 102 | 39.8 Ų | 39.8 | 55% | 0.545 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -59 | -24.8 | -179.1 | -63.3 | -10.9 | 0 | 0 | 0 | 114.2 | Y956 S960 I961 | Y956-N958 PolarHBondContact O-N 3.27Å; N958-S960 PolarHBondContact O-N 2.95Å; N958-I961 HydrophobicContact CB-CD1 4.13Å; N958-I961 WeakPolarHBondContact O-CB 3.35Å; N958-I961 WeakPolarHBondContact O-CD1 3.35Å; N958-I961 WeakPolarHBondContact O-CG1 3.42Å; N958-I961 PolarHBondContact O-N 2.91Å |
| 959 | Q | 85.1 | Confident | 88.2 | Confident | 31 Ų | 31 | 43 Ų | 43 | 15% | 0.145 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -70.4 | -21 | 175.1 | -57.9 | -177.6 | 5.6 | 0 | 0 | 112.4 | T884 N885 L902 Y956 K957 I961 P962 | T884-Q959 VanDerWaalsContact N-OE1 3.16Å; T884-Q959 VanDerWaalsContact OG1-CD 3.29Å; T884-Q959 PolarHBondContact OG1-NE2 3.35Å; T884-Q959 PolarHBondContact OG1-OE1 3.08Å; N885-Q959 PolarHBondContact ND2-NE2 3.41Å; N885-Q959 PolarHBondContact OD1-NE2 3.41Å; L902-Q959 HydrophobicContact CD1-CB 4.41Å; L902-Q959 WeakPolarHBondContact CD1-O 3.45Å; Y956-Q959 HydrophobicContact CD1-CB 4.45Å; Y956-Q959 WeakPolarHBondContact O-CB 3.49Å; Y956-Q959 PolarHBondContact O-N 3.12Å; K957-Q959 PolarHBondContact O-N 3.02Å; K957-Q959 VanDerWaalsContact O-N 3.11Å; Q959-I961 VanDerWaalsContact C-N 3.27Å; Q959-I961 PolarHBondContact O-N 3.49Å; Q959-P962 WeakPolarHBondContact O-CD 3.45Å |
| 960 | S | 87.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -79 | -6.7 | 176.6 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | K957 N958 F963 L964 I1012 | K957-S960 WeakPolarHBondContact O-CB 3.24Å; K957-S960 PolarHBondContact O-N 2.69Å; K957-S960 PolarHBondContact O-OG 3.17Å; N958-S960 PolarHBondContact O-N 2.95Å; S960-F963 CarbonylContact O-C 3.58Å; S960-F963 WeakPolarHBondContact O-CA 3.29Å; S960-F963 WeakPolarHBondContact O-CB 3.46Å; S960-F963 PolarHBondContact O-N 2.93Å; S960-L964 WeakPolarHBondContact O-CG 3.45Å; S960-L964 PolarHBondContact O-N 3.39Å; S960-I1012 VanDerWaalsContact OG-CD1 3.32Å; S960-I1012 WeakPolarHBondContact OG-CD1 3.46Å |
| 961 | I | 86.6 | Confident | 87.6 | Confident | 56 Ų | 56 | 44.4 Ų | 44.4 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -54 | -47.3 | -176.6 | -65.4 | 171.1 | 0 | 0 | 0 | 112.5 | N958 Q959 F963 L964 S965 I1012 V1015 | N958-I961 HydrophobicContact CB-CD1 4.13Å; N958-I961 WeakPolarHBondContact O-CB 3.35Å; N958-I961 WeakPolarHBondContact O-CD1 3.35Å; N958-I961 WeakPolarHBondContact O-CG1 3.42Å; N958-I961 PolarHBondContact O-N 2.91Å; Q959-I961 VanDerWaalsContact C-N 3.27Å; Q959-I961 PolarHBondContact O-N 3.49Å; I961-F963 VanDerWaalsContact C-N 3.3Å; I961-F963 PolarHBondContact O-N 2.9Å; I961-L964 PolarHBondContact O-N 2.69Å; I961-S965 WeakPolarHBondContact O-CB 3.3Å; I961-S965 PolarHBondContact O-N 2.97Å; I961-S965 PolarHBondContact O-OG 3.49Å; I961-I1012 HydrophobicContact CD1-CG2 4.16Å; I961-I1012 HydrophobicContact CG1-CD1 4.49Å; I961-I1012 HydrophobicContact CG1-CG2 4.07Å; I961-V1015 HydrophobicContact CB-CG2 4.39Å; I961-V1015 HydrophobicContact CD1-CG2 4.3Å; I961-V1015 HydrophobicContact CG1-CG2 3.77Å; I961-V1015 HydrophobicContact CG2-CG2 4.03Å |
| 962 | P | 86.2 | Confident | 87.3 | Confident | 84 Ų | 84 | 43.8 Ų | 43.8 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.7 | -32.8 | 177.7 | -21.2 | 34.3 | 0 | 0 | 0 | 113.5 | Q959 S965 T966 | Q959-P962 WeakPolarHBondContact O-CD 3.45Å; P962-S965 WeakPolarHBondContact CA-OG 3.43Å; P962-S965 PolarHBondContact O-OG 2.72Å; P962-T966 PolarHBondContact O-N 2.8Å; P962-T966 PolarHBondContact O-OG1 3.4Å |
| 963 | F | 88.8 | Confident | 87 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 174.4 | 161.9 | -99.7 | 0 | 0 | 0 | 110.8 | L902 L905 V906 V909 V949 V952 S960 I961 T966 C967 | L902-F963 HydrophobicContact CD2-CB 4.38Å; L905-F963 HydrophobicContact CB-CD2 3.98Å; L905-F963 HydrophobicContact CB-CE2 3.79Å; V906-F963 HydrophobicContact CG2-CB 4.16Å; V906-F963 HydrophobicContact CG2-CD2 3.89Å; V909-F963 HydrophobicContact CB-CE2 4.38Å; V909-F963 HydrophobicContact CG2-CE2 3.92Å; V909-F963 HydrophobicContact CG2-CZ 4.11Å; V949-F963 HydrophobicContact CG1-CE1 4.21Å; V949-F963 HydrophobicContact CG2-CZ 4.31Å; V952-F963 HydrophobicContact CB-CD1 4.41Å; V952-F963 HydrophobicContact CB-CE1 4.03Å; V952-F963 HydrophobicContact CG1-CD1 3.63Å; V952-F963 HydrophobicContact CG1-CE1 3.75Å; V952-F963 HydrophobicContact CG1-CG 4.38Å; V952-F963 HydrophobicContact CG2-CE1 4.4Å; S960-F963 CarbonylContact O-C 3.58Å; S960-F963 WeakPolarHBondContact O-CA 3.29Å; S960-F963 WeakPolarHBondContact O-CB 3.46Å; S960-F963 PolarHBondContact O-N 2.93Å; I961-F963 VanDerWaalsContact C-N 3.3Å; I961-F963 PolarHBondContact O-N 2.9Å; F963-T966 PolarHBondContact O-N 3.16Å; F963-C967 HydrophobicContact CE2-CB 4.19Å; F963-C967 HydrophobicContact CZ-CB 4.42Å; F963-C967 VanDerWaalsContact O-CB 3.32Å; F963-C967 WeakPolarHBondContact O-CB 3.28Å; F963-C967 PolarHBondContact O-N 3.23Å; F963-C967 PolarHBondContact O-SG 3.18Å |
| 964 | L | 87.9 | Confident | 86.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.6 | -42.5 | 178.8 | -67 | 174.4 | 0 | 0 | 0 | 112.3 | V949 V953 S960 I961 T966 C967 L968 I1012 | V949-L964 HydrophobicContact CG1-CD2 4Å; V953-L964 HydrophobicContact CG2-CD1 3.91Å; V953-L964 HydrophobicContact CG2-CD2 3.67Å; V953-L964 HydrophobicContact CG2-CG 4.29Å; S960-L964 WeakPolarHBondContact O-CG 3.45Å; S960-L964 PolarHBondContact O-N 3.39Å; I961-L964 PolarHBondContact O-N 2.69Å; L964-T966 PolarHBondContact O-N 3.44Å; L964-C967 PolarHBondContact O-N 3.06Å; L964-L968 WeakPolarHBondContact O-CB 3.24Å; L964-L968 PolarHBondContact O-N 2.86Å; L964-I1012 HydrophobicContact CD1-CD1 3.66Å |
| 965 | S | 85.1 | Confident | 86.9 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 52% | 0.524 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.7 | -30 | 179.2 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | I961 P962 | I961-S965 WeakPolarHBondContact O-CB 3.3Å; I961-S965 PolarHBondContact O-N 2.97Å; I961-S965 PolarHBondContact O-OG 3.49Å; P962-S965 WeakPolarHBondContact CA-OG 3.43Å; P962-S965 PolarHBondContact O-OG 2.72Å |
| 966 | T | 86.5 | Confident | 86.9 | Confident | 82 Ų | 82 | 42.1 Ų | 42.1 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -87.2 | -45.1 | 179.3 | -48.9 | 0 | 0 | 0 | 0 | 112.3 | V906 P962 F963 L964 | V906-T966 HydrophobicContact CG1-CG2 3.85Å; P962-T966 PolarHBondContact O-N 2.8Å; P962-T966 PolarHBondContact O-OG1 3.4Å; F963-T966 PolarHBondContact O-N 3.16Å; L964-T966 PolarHBondContact O-N 3.44Å |
| 967 | C | 88.1 | Confident | 86.9 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -91.7 | -33.5 | -170.2 | -65 | 0 | 0 | 0 | 0 | 114.2 | V909 F963 L964 L971 | V909-C967 HydrophobicContact CG1-CB 4.4Å; F963-C967 HydrophobicContact CE2-CB 4.19Å; F963-C967 HydrophobicContact CZ-CB 4.42Å; F963-C967 VanDerWaalsContact O-CB 3.32Å; F963-C967 WeakPolarHBondContact O-CB 3.28Å; F963-C967 PolarHBondContact O-N 3.23Å; F963-C967 PolarHBondContact O-SG 3.18Å; L964-C967 PolarHBondContact O-N 3.06Å; C967-L971 WeakPolarHBondContact O-CB 3.45Å; C967-L971 PolarHBondContact O-N 2.98Å; C967-L971 VanDerWaalsContact O-N 3.16Å |
| 968 | L | 86.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -41.2 | -168.7 | -172 | 66.3 | 0 | 0 | 0 | 114 | L964 H970 L971 M972 L1004 I1008 L1019 | L964-L968 WeakPolarHBondContact O-CB 3.24Å; L964-L968 PolarHBondContact O-N 2.86Å; L968-H970 VanDerWaalsContact C-N 3.33Å; L968-H970 PolarHBondContact O-N 3.41Å; L968-L971 PolarHBondContact O-N 3.47Å; L968-M972 HydrophobicContact CD1-CG 3.78Å; L968-M972 HydrophobicContact CD1-SD 4.2Å; L968-M972 HydrophobicContact CG-CG 3.92Å; L968-M972 WeakPolarHBondContact O-CB 3.29Å; L968-M972 WeakPolarHBondContact O-CG 3.29Å; L968-M972 PolarHBondContact O-N 3.4Å; L968-L1004 HydrophobicContact CD1-CD2 4.48Å; L968-I1008 HydrophobicContact CD1-CD1 3.68Å; L968-I1008 HydrophobicContact CD2-CD1 3.8Å; L968-I1008 HydrophobicContact CG-CD1 4.42Å; L968-L1019 HydrophobicContact CD2-CD1 3.34Å; L968-L1019 HydrophobicContact CD2-CD2 4.07Å; L968-L1019 HydrophobicContact CD2-CG 4.35Å |
| 969 | P | 84.2 | Confident | 87.1 | Confident | 68 Ų | 68 | 34.7 Ų | 34.7 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.9 | -46.6 | 179.2 | -26.3 | 35.6 | 0 | 0 | 0 | 112.4 | M972 E973 | P969-M972 PolarHBondContact O-N 3.22Å; P969-E973 WeakPolarHBondContact O-CB 3.41Å; P969-E973 PolarHBondContact O-N 2.89Å |
| 970 | H | 84.8 | Confident | 87.2 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 24% | 0.236 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -43.1 | 179.1 | -167.3 | 66.4 | 0 | 0 | 0 | 112 | Q917 L968 M972 E973 V974 | Q917-H970 VanDerWaalsContact CD-CE1 3.44Å; Q917-H970 PolarHBondContact NE2-CE1 3.06Å; L968-H970 VanDerWaalsContact C-N 3.33Å; L968-H970 PolarHBondContact O-N 3.41Å; H970-M972 VanDerWaalsContact C-N 3.35Å; H970-M972 PolarHBondContact O-N 2.7Å; H970-E973 PolarHBondContact O-N 3.37Å; H970-V974 VanDerWaalsContact O-CG2 3.23Å; H970-V974 WeakPolarHBondContact O-CG2 3.35Å; H970-V974 PolarHBondContact O-N 3.45Å |
| 971 | L | 88.5 | Confident | 87 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 177.4 | 179.4 | 62.4 | 0 | 0 | 0 | 111.9 | V913 I945 V949 C967 L968 V974 I975 L1004 | V913-L971 HydrophobicContact CG1-CD1 4.38Å; V913-L971 HydrophobicContact CG2-CD1 4Å; I945-L971 HydrophobicContact CG2-CD1 4.34Å; V949-L971 HydrophobicContact CB-CD2 4.44Å; V949-L971 HydrophobicContact CG2-CD2 3.79Å; C967-L971 WeakPolarHBondContact O-CB 3.45Å; C967-L971 PolarHBondContact O-N 2.98Å; C967-L971 VanDerWaalsContact O-N 3.16Å; L968-L971 PolarHBondContact O-N 3.47Å; L971-V974 PolarHBondContact O-N 3.08Å; L971-I975 HydrophobicContact CD1-CD1 3.93Å; L971-I975 HydrophobicContact CD1-CG1 4.26Å; L971-I975 HydrophobicContact CD2-CD1 4.47Å; L971-I975 HydrophobicContact CG-CD1 3.76Å; L971-I975 HydrophobicContact CG-CG1 4.49Å; L971-I975 WeakPolarHBondContact O-CD1 3.29Å; L971-I975 VanDerWaalsContact O-CG1 3.23Å; L971-I975 WeakPolarHBondContact O-CG1 3.35Å; L971-I975 PolarHBondContact O-N 3.24Å; L971-L1004 HydrophobicContact CD2-CD2 4.21Å |
| 972 | M | 86.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 18% | 0.177 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -39.9 | 179.6 | -68.2 | -69.1 | -80.5 | 0 | 0 | 111.6 | L968 P969 H970 I975 I976 Y1001 V1005 | L968-M972 HydrophobicContact CD1-CG 3.78Å; L968-M972 HydrophobicContact CD1-SD 4.2Å; L968-M972 HydrophobicContact CG-CG 3.92Å; L968-M972 WeakPolarHBondContact O-CB 3.29Å; L968-M972 WeakPolarHBondContact O-CG 3.29Å; L968-M972 PolarHBondContact O-N 3.4Å; P969-M972 PolarHBondContact O-N 3.22Å; H970-M972 VanDerWaalsContact C-N 3.35Å; H970-M972 PolarHBondContact O-N 2.7Å; M972-I975 PolarHBondContact O-N 3.14Å; M972-I976 WeakPolarHBondContact O-CB 3.48Å; M972-I976 VanDerWaalsContact O-CG1 3.25Å; M972-I976 WeakPolarHBondContact O-CG1 3.08Å; M972-I976 PolarHBondContact O-N 3.34Å; M972-Y1001 HydrophobicContact CE-CD2 4.22Å; M972-Y1001 HydrophobicContact CE-CE2 3.29Å; M972-Y1001 HydrophobicContact SD-CD2 4.07Å; M972-Y1001 HydrophobicContact SD-CE2 3.65Å; M972-V1005 HydrophobicContact CE-CG2 3.6Å; M972-V1005 HydrophobicContact SD-CG2 4.3Å |
| 973 | E | 86 | Confident | 86.1 | Confident | 101 Ų | 101 | 39.4 Ų | 39.4 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 173.2 | -173.8 | -173.7 | 176.1 | 0 | 0 | 111.5 | P969 H970 I975 I976 N977 | P969-E973 WeakPolarHBondContact O-CB 3.41Å; P969-E973 PolarHBondContact O-N 2.89Å; H970-E973 PolarHBondContact O-N 3.37Å; E973-I975 PolarHBondContact O-N 2.88Å; E973-I976 PolarHBondContact O-N 3.15Å; E973-N977 WeakPolarHBondContact O-CB 3.46Å; E973-N977 PolarHBondContact O-N 3.21Å; E973-N977 PolarHBondContact O-ND2 3.35Å |
| 974 | V | 88.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -45 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | V913 L916 Q917 I942 H970 L971 A978 | V913-V974 HydrophobicContact CG1-CB 4.17Å; V913-V974 HydrophobicContact CG1-CG1 4.33Å; V913-V974 HydrophobicContact CG1-CG2 3.69Å; L916-V974 HydrophobicContact CB-CG1 4.48Å; Q917-V974 HydrophobicContact CG-CG2 3.59Å; I942-V974 HydrophobicContact CD1-CG1 3.58Å; I942-V974 HydrophobicContact CG1-CG1 3.87Å; H970-V974 VanDerWaalsContact O-CG2 3.23Å; H970-V974 WeakPolarHBondContact O-CG2 3.35Å; H970-V974 PolarHBondContact O-N 3.45Å; L971-V974 PolarHBondContact O-N 3.08Å; V974-A978 WeakPolarHBondContact O-CB 3.45Å; V974-A978 PolarHBondContact O-N 2.99Å |
| 975 | I | 90.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 179.6 | -66.5 | 163.4 | 0 | 0 | 0 | 111.2 | I942 I946 L971 M972 E973 A978 L979 L997 Y1001 L1004 | I942-I975 HydrophobicContact CG2-CB 4.46Å; I942-I975 HydrophobicContact CG2-CD1 4.42Å; I942-I975 HydrophobicContact CG2-CG1 3.43Å; I942-I975 VanDerWaalsContact CG2-CG1 3.43Å; I946-I975 HydrophobicContact CD1-CD1 3.97Å; I946-I975 HydrophobicContact CG1-CD1 4.08Å; L971-I975 HydrophobicContact CD1-CD1 3.93Å; L971-I975 HydrophobicContact CD1-CG1 4.26Å; L971-I975 HydrophobicContact CD2-CD1 4.47Å; L971-I975 HydrophobicContact CG-CD1 3.76Å; L971-I975 HydrophobicContact CG-CG1 4.49Å; L971-I975 WeakPolarHBondContact O-CD1 3.29Å; L971-I975 VanDerWaalsContact O-CG1 3.23Å; L971-I975 WeakPolarHBondContact O-CG1 3.35Å; L971-I975 PolarHBondContact O-N 3.24Å; M972-I975 PolarHBondContact O-N 3.14Å; E973-I975 PolarHBondContact O-N 2.88Å; I975-A978 PolarHBondContact O-N 3.29Å; I975-L979 HydrophobicContact CG2-CD1 3.86Å; I975-L979 HydrophobicContact CG2-CG 4.31Å; I975-L979 WeakPolarHBondContact O-CG 3.45Å; I975-L979 PolarHBondContact O-N 3.27Å; I975-L997 HydrophobicContact CG2-CD1 4.29Å; I975-L997 HydrophobicContact CG2-CG 4.47Å; I975-Y1001 HydrophobicContact CB-CD2 4.31Å; I975-Y1001 HydrophobicContact CG2-CD2 3.54Å; I975-Y1001 HydrophobicContact CG2-CE2 4.42Å; I975-Y1001 HydrophobicContact CG2-CG 3.98Å; I975-L1004 HydrophobicContact CD1-CD2 4.46Å |
| 976 | I | 87.5 | Confident | 83.9 | Confident | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | -178 | -69.1 | 168.4 | 0 | 0 | 0 | 110.6 | M972 E973 A978 L979 N980 Y1001 | M972-I976 WeakPolarHBondContact O-CB 3.48Å; M972-I976 VanDerWaalsContact O-CG1 3.25Å; M972-I976 WeakPolarHBondContact O-CG1 3.08Å; M972-I976 PolarHBondContact O-N 3.34Å; E973-I976 PolarHBondContact O-N 3.15Å; I976-A978 PolarHBondContact O-N 2.88Å; I976-L979 PolarHBondContact O-N 2.63Å; I976-N980 WeakPolarHBondContact CG2-ND2 3.42Å; I976-N980 WeakPolarHBondContact O-CB 3.45Å; I976-N980 VanDerWaalsContact O-CG 3.3Å; I976-N980 PolarHBondContact O-N 3.18Å; I976-N980 PolarHBondContact O-ND2 3.33Å; I976-Y1001 HydrophobicContact CD1-CE2 4.37Å; I976-Y1001 HydrophobicContact CG1-CE2 4.06Å |
| 977 | N | 87.9 | Confident | 83.5 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.5 | -71.9 | -15.9 | 0 | 0 | 0 | 111.2 | E973 L979 N980 E981 | E973-N977 WeakPolarHBondContact O-CB 3.46Å; E973-N977 PolarHBondContact O-N 3.21Å; E973-N977 PolarHBondContact O-ND2 3.35Å; N977-L979 VanDerWaalsContact C-N 3.35Å; N977-L979 PolarHBondContact O-N 3.4Å; N977-N980 PolarHBondContact O-N 2.81Å; N977-N980 VanDerWaalsContact O-N 3.12Å; N977-E981 PolarHBondContact O-N 3.41Å; N977-E981 VanDerWaalsContact O-N 3.13Å |
| 978 | A | 88.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | I942 V974 I975 I976 N980 E981 L997 | I942-A978 HydrophobicContact CD1-CB 3.99Å; V974-A978 WeakPolarHBondContact O-CB 3.45Å; V974-A978 PolarHBondContact O-N 2.99Å; I975-A978 PolarHBondContact O-N 3.29Å; I976-A978 PolarHBondContact O-N 2.88Å; A978-N980 VanDerWaalsContact C-N 3.26Å; A978-N980 PolarHBondContact O-N 2.59Å; A978-E981 PolarHBondContact O-N 3.35Å; A978-L997 HydrophobicContact CB-CD2 3.83Å |
| 979 | L | 88.6 | Confident | 83 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.9 | -20.3 | 176 | -70.5 | 175.2 | 0 | 0 | 0 | 113.4 | I975 I976 N977 K994 L997 R998 Y1001 Q1034 | I975-L979 HydrophobicContact CG2-CD1 3.86Å; I975-L979 HydrophobicContact CG2-CG 4.31Å; I975-L979 WeakPolarHBondContact O-CG 3.45Å; I975-L979 PolarHBondContact O-N 3.27Å; I976-L979 PolarHBondContact O-N 2.63Å; N977-L979 VanDerWaalsContact C-N 3.35Å; N977-L979 PolarHBondContact O-N 3.4Å; L979-K994 VanDerWaalsContact C-CE 3.48Å; L979-K994 HydrophobicContact CD2-CG 4.14Å; L979-K994 WeakPolarHBondContact O-CE 3.45Å; L979-K994 PolarHBondContact O-NZ 3.14Å; L979-L997 HydrophobicContact CD2-CB 4.27Å; L979-L997 HydrophobicContact CD2-CD2 4.09Å; L979-L997 HydrophobicContact CD2-CG 4.01Å; L979-L997 HydrophobicContact CG-CD2 4.29Å; L979-L997 HydrophobicContact CG-CG 4.36Å; L979-R998 HydrophobicContact CD2-CB 3.81Å; L979-R998 HydrophobicContact CD2-CG 4.45Å; L979-Y1001 HydrophobicContact CD1-CD1 4.4Å; L979-Y1001 HydrophobicContact CD1-CG 4.22Å; L979-Q1034 HydrophobicContact CD1-CG 4.43Å |
| 980 | N | 86.6 | Confident | 83 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -94.8 | -10 | 177.5 | -69.5 | -23.3 | 0 | 0 | 0 | 113.6 | I976 N977 A978 S982 | I976-N980 WeakPolarHBondContact CG2-ND2 3.42Å; I976-N980 WeakPolarHBondContact O-CB 3.45Å; I976-N980 VanDerWaalsContact O-CG 3.3Å; I976-N980 PolarHBondContact O-N 3.18Å; I976-N980 PolarHBondContact O-ND2 3.33Å; N977-N980 PolarHBondContact O-N 2.81Å; N977-N980 VanDerWaalsContact O-N 3.12Å; A978-N980 VanDerWaalsContact C-N 3.26Å; A978-N980 PolarHBondContact O-N 2.59Å; N980-S982 PolarHBondContact O-N 3.25Å |
| 981 | E | 84.6 | Confident | 83 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -59.3 | 132.6 | 174.9 | -75.9 | 177.3 | -171.8 | 0 | 0 | 111.2 | S918 L930 R938 W939 N977 A978 K994 | S918-E981 WeakPolarHBondContact CB-OE1 3.49Å; S918-E981 PolarHBondContact OG-OE1 2.99Å; L930-E981 HydrophobicContact CD1-CB 4.49Å; R938-E981 IonicContact CZ-OE1 3.4Å; R938-E981 IonicContact CZ-OE2 2.67Å; R938-E981 IonicContact NH1-OE1 2.84Å; R938-E981 PolarHBondContact NH1-OE1 2.68Å; R938-E981 IonicContact NH1-OE2 3.47Å; R938-E981 PolarHBondContact NH1-OE2 3.35Å; R938-E981 IonicContact NH2-OE1 3.32Å; R938-E981 PolarHBondContact NH2-OE1 3.17Å; R938-E981 IonicContact NH2-OE2 3.99Å; R938-E981 PolarHBondContact NH2-OE2 2.95Å; W939-E981 HydrophobicContact CZ2-CB 3.99Å; W939-E981 WeakPolarHBondContact CZ2-OE2 3.4Å; W939-E981 PolarHBondContact NE1-OE2 2.96Å; N977-E981 PolarHBondContact O-N 3.41Å; N977-E981 VanDerWaalsContact O-N 3.13Å; A978-E981 PolarHBondContact O-N 3.35Å; E981-K994 PolarHBondContact O-NZ 3.17Å |
| 982 | S | 77.8 | Confident | 83.1 | Confident | 97 Ų | 97 | 58 Ų | 58 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 130.8 | 180 | 55 | 0 | 0 | 0 | 0 | 111.5 | N980 | N980-S982 PolarHBondContact O-N 3.25Š|
| 983 | L | 76.1 | Confident | 83.2 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 141.8 | 177.6 | -60.4 | 115 | 0 | 0 | 0 | 111.9 | W939 L990 F991 K994 | W939-L983 HydrophobicContact CH2-CD2 3.84Å; W939-L983 HydrophobicContact CH2-CG 4.26Å; W939-L983 HydrophobicContact CZ3-CD2 3.92Å; L983-L990 HydrophobicContact CD2-CB 3.8Å; L983-F991 HydrophobicContact CB-CE1 4.24Å; L983-F991 HydrophobicContact CB-CZ 4.11Å; L983-F991 HydrophobicContact CD1-CD1 4.31Å; L983-F991 HydrophobicContact CD1-CE1 4.03Å; L983-F991 HydrophobicContact CD2-CD1 4.25Å; L983-F991 HydrophobicContact CD2-CE1 4.4Å; L983-F991 HydrophobicContact CD2-CG 4.42Å; L983-F991 HydrophobicContact CG-CE1 4.45Å; L983-K994 HydrophobicContact CD1-CD 3.37Å; L983-K994 HydrophobicContact CD2-CD 4.09Å; L983-K994 HydrophobicContact CG-CD 4.03Å |
| 984 | P | 74.8 | Confident | 83.3 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -67 | 141.6 | 161 | 0.2 | 12.7 | 0 | 0 | 0 | 110.1 | T932 N986 | T932-P984 HydrophobicContact CG2-CG 4.03Å; P984-N986 PolarHBondContact O-N 3.29Å |
| 985 | P | 69.7 | Low | 83.5 | Confident | 110 Ų | 110 | 54.6 Ų | 54.6 | 71% | 0.714 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -8.1 | -175 | 23.7 | -32.9 | 0 | 0 | 0 | 115.4 | ||
| 986 | N | 70.8 | Confident | 83.6 | Confident | 133 Ų | 133 | 56.5 Ų | 56.5 | 71% | 0.711 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 22.7 | -166.3 | -69.1 | -7.6 | 0 | 0 | 0 | 115.8 | P984 | P984-N986 PolarHBondContact O-N 3.29Š|
| 987 | H | 77.1 | Confident | 83.8 | Confident | 71 Ų | 71 | 54.4 Ų | 54.4 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | trans | -128.4 | 92.3 | -179.4 | -75.8 | -82.8 | 0 | 0 | 0 | 113.2 | T989 L990 F991 | H987-T989 PolarHBondContact O-N 3.03Å; H987-L990 HydrophobicContact CB-CB 4.1Å; H987-L990 HydrophobicContact CB-CD1 3.85Å; H987-L990 HydrophobicContact CB-CG 4.01Å; H987-L990 PolarHBondContact O-N 3.26Å; H987-F991 WeakPolarHBondContact O-CD2 3.47Å; H987-F991 PolarHBondContact O-N 3.16Å | ||
| 988 | P | 82.5 | Confident | 84.2 | Confident | 96 Ų | 96 | 52 Ų | 52 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.1 | -31.2 | -178.5 | 25 | -34 | 0 | 0 | 0 | 113 | F991 E992 | P988-F991 PolarHBondContact O-N 3.43Å; P988-E992 PolarHBondContact O-N 3.23Å |
| 989 | T | 82.7 | Confident | 84.4 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 30% | 0.301 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | E936 H987 E992 E993 | E936-T989 PolarHBondContact OE2-OG1 3.29Å; H987-T989 PolarHBondContact O-N 3.03Å; T989-E992 PolarHBondContact O-N 3.01Å; T989-E993 WeakPolarHBondContact O-CB 3.49Å; T989-E993 WeakPolarHBondContact O-CG 3.22Å; T989-E993 PolarHBondContact O-N 3.39Å |
| 990 | L | 83.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -38.4 | 177.3 | -69.6 | -179.6 | 0 | 0 | 0 | 112.3 | T932 A935 E936 W939 L983 H987 E993 K994 | T932-L990 HydrophobicContact CG2-CD1 3.87Å; A935-L990 HydrophobicContact CB-CD2 4.41Å; E936-L990 HydrophobicContact CB-CD2 3.63Å; E936-L990 HydrophobicContact CG-CD2 4.17Å; W939-L990 HydrophobicContact CE3-CD2 4.23Å; W939-L990 HydrophobicContact CH2-CD2 4.47Å; W939-L990 HydrophobicContact CZ3-CB 4.04Å; W939-L990 HydrophobicContact CZ3-CD2 3.9Å; W939-L990 WeakPolarHBondContact CZ3-O 3.47Å; L983-L990 HydrophobicContact CD2-CB 3.8Å; H987-L990 HydrophobicContact CB-CB 4.1Å; H987-L990 HydrophobicContact CB-CD1 3.85Å; H987-L990 HydrophobicContact CB-CG 4.01Å; H987-L990 PolarHBondContact O-N 3.26Å; L990-E993 PolarHBondContact O-N 3.42Å; L990-K994 VanDerWaalsContact O-CB 3.29Å; L990-K994 WeakPolarHBondContact O-CB 3.41Å; L990-K994 PolarHBondContact O-N 3.36Å |
| 991 | F | 85.4 | Confident | 85 | Confident | 93 Ų | 93 | 51 Ų | 51 | 41% | 0.408 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.5 | -77.8 | -75 | 0 | 0 | 0 | 111.6 | L983 H987 P988 K995 | L983-F991 HydrophobicContact CB-CE1 4.24Å; L983-F991 HydrophobicContact CB-CZ 4.11Å; L983-F991 HydrophobicContact CD1-CD1 4.31Å; L983-F991 HydrophobicContact CD1-CE1 4.03Å; L983-F991 HydrophobicContact CD2-CD1 4.25Å; L983-F991 HydrophobicContact CD2-CE1 4.4Å; L983-F991 HydrophobicContact CD2-CG 4.42Å; L983-F991 HydrophobicContact CG-CE1 4.45Å; H987-F991 WeakPolarHBondContact O-CD2 3.47Å; H987-F991 PolarHBondContact O-N 3.16Å; P988-F991 PolarHBondContact O-N 3.43Å; F991-K995 WeakPolarHBondContact O-CB 3.39Å; F991-K995 PolarHBondContact O-N 3.22Å |
| 992 | E | 88.8 | Confident | 85.4 | Confident | 92 Ų | 92 | 50 Ų | 50 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.9 | -73.7 | -59.7 | 119.5 | 0 | 0 | 112.1 | P988 T989 K994 K995 L996 | P988-E992 PolarHBondContact O-N 3.23Å; T989-E992 PolarHBondContact O-N 3.01Å; E992-K994 PolarHBondContact O-N 3.24Å; E992-K995 WeakPolarHBondContact O-CB 3.38Å; E992-K995 PolarHBondContact O-N 3.11Å; E992-K995 WeakPolarHBondContact OE1-CE 3.39Å; E992-K995 IonicContact OE1-NZ 4Å; E992-K995 PolarHBondContact OE1-NZ 2.86Å; E992-K995 WeakPolarHBondContact OE2-CE 3.24Å; E992-K995 IonicContact OE2-NZ 3.32Å; E992-K995 PolarHBondContact OE2-NZ 3.37Å; E992-L996 VanDerWaalsContact O-CG 3.23Å; E992-L996 WeakPolarHBondContact O-CG 3.46Å; E992-L996 PolarHBondContact O-N 3.24Å |
| 993 | E | 88.3 | Confident | 86.2 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 179.1 | -79 | -63 | 145.4 | 0 | 0 | 112.2 | E936 W939 R943 T989 L990 K995 L996 L997 | E936-E993 HydrophobicContact CG-CG 4.13Å; W939-E993 HydrophobicContact CE3-CB 4.39Å; R943-E993 IonicContact CZ-OE1 3.51Å; R943-E993 IonicContact CZ-OE2 3.88Å; R943-E993 VanDerWaalsContact CZ-OE2 3.27Å; R943-E993 IonicContact NH1-OE1 2.9Å; R943-E993 PolarHBondContact NH1-OE1 2.52Å; R943-E993 IonicContact NH1-OE2 2.67Å; R943-E993 PolarHBondContact NH1-OE2 3.34Å; R943-E993 IonicContact NH2-OE1 2.64Å; R943-E993 IonicContact NH2-OE2 3.05Å; T989-E993 WeakPolarHBondContact O-CB 3.49Å; T989-E993 WeakPolarHBondContact O-CG 3.22Å; T989-E993 PolarHBondContact O-N 3.39Å; L990-E993 PolarHBondContact O-N 3.42Å; E993-K995 PolarHBondContact O-N 3.09Å; E993-L996 PolarHBondContact O-N 3.03Å; E993-L997 WeakPolarHBondContact O-CB 3.24Å; E993-L997 PolarHBondContact O-N 3.19Å |
| 994 | K | 90 | Very high | 87 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 8% | 0.078 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.9 | -40.2 | 174.6 | -164.8 | 173.8 | -170.9 | 177.3 | 0 | 112.1 | W939 L979 E981 L983 L990 E992 L997 R998 | W939-K994 HydrophobicContact CE3-CB 4.12Å; W939-K994 HydrophobicContact CH2-CD 4.36Å; W939-K994 HydrophobicContact CZ3-CB 3.84Å; W939-K994 HydrophobicContact CZ3-CD 4.42Å; W939-K994 HydrophobicContact CZ3-CG 4.39Å; L979-K994 VanDerWaalsContact C-CE 3.48Å; L979-K994 HydrophobicContact CD2-CG 4.14Å; L979-K994 WeakPolarHBondContact O-CE 3.45Å; L979-K994 PolarHBondContact O-NZ 3.14Å; E981-K994 PolarHBondContact O-NZ 3.17Å; L983-K994 HydrophobicContact CD1-CD 3.37Å; L983-K994 HydrophobicContact CD2-CD 4.09Å; L983-K994 HydrophobicContact CG-CD 4.03Å; L990-K994 VanDerWaalsContact O-CB 3.29Å; L990-K994 WeakPolarHBondContact O-CB 3.41Å; L990-K994 PolarHBondContact O-N 3.36Å; E992-K994 PolarHBondContact O-N 3.24Å; K994-L997 PolarHBondContact O-N 3.41Å; K994-R998 WeakPolarHBondContact O-CB 3.28Å; K994-R998 PolarHBondContact O-N 2.86Å |
| 995 | K | 91 | Very high | 87.7 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 173.4 | -178 | 179.8 | 78.8 | -174.9 | 0 | 111.2 | F991 E992 E993 R998 R999 S1041 D1043 | F991-K995 WeakPolarHBondContact O-CB 3.39Å; F991-K995 PolarHBondContact O-N 3.22Å; E992-K995 WeakPolarHBondContact O-CB 3.38Å; E992-K995 PolarHBondContact O-N 3.11Å; E992-K995 WeakPolarHBondContact OE1-CE 3.39Å; E992-K995 IonicContact OE1-NZ 4Å; E992-K995 PolarHBondContact OE1-NZ 2.86Å; E992-K995 WeakPolarHBondContact OE2-CE 3.24Å; E992-K995 IonicContact OE2-NZ 3.32Å; E992-K995 PolarHBondContact OE2-NZ 3.37Å; E993-K995 PolarHBondContact O-N 3.09Å; K995-R998 WeakPolarHBondContact O-CB 3.33Å; K995-R998 PolarHBondContact O-N 3.1Å; K995-R999 PolarHBondContact O-N 3.24Å; K995-S1041 WeakPolarHBondContact CD-O 3.24Å; K995-D1043 HydrophobicContact CD-CB 3.91Å; K995-D1043 HydrophobicContact CG-CB 3.75Å |
| 996 | L | 92.7 | Very high | 88.7 | Confident | 39 Ų | 39 | 40.7 Ų | 40.7 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -39.6 | 179.3 | -66.3 | 173.3 | 0 | 0 | 0 | 112.7 | E992 E993 R999 G1000 | E992-L996 VanDerWaalsContact O-CG 3.23Å; E992-L996 WeakPolarHBondContact O-CG 3.46Å; E992-L996 PolarHBondContact O-N 3.24Å; E993-L996 PolarHBondContact O-N 3.03Å; L996-R999 PolarHBondContact O-N 2.97Å; L996-G1000 PolarHBondContact O-N 3.47Å |
| 997 | L | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 173.8 | 178.7 | 60.5 | 0 | 0 | 0 | 111.2 | W939 I942 R943 I946 I975 A978 L979 E993 K994 R999 G1000 Y1001 | W939-L997 HydrophobicContact CB-CD2 4.21Å; W939-L997 HydrophobicContact CG-CD2 4.32Å; I942-L997 HydrophobicContact CB-CD1 4.23Å; I942-L997 HydrophobicContact CG2-CD1 3.71Å; R943-L997 HydrophobicContact CB-CD1 4.17Å; I946-L997 HydrophobicContact CD1-CD1 4.13Å; I975-L997 HydrophobicContact CG2-CD1 4.29Å; I975-L997 HydrophobicContact CG2-CG 4.47Å; A978-L997 HydrophobicContact CB-CD2 3.83Å; L979-L997 HydrophobicContact CD2-CB 4.27Å; L979-L997 HydrophobicContact CD2-CD2 4.09Å; L979-L997 HydrophobicContact CD2-CG 4.01Å; L979-L997 HydrophobicContact CG-CD2 4.29Å; L979-L997 HydrophobicContact CG-CG 4.36Å; E993-L997 WeakPolarHBondContact O-CB 3.24Å; E993-L997 PolarHBondContact O-N 3.19Å; K994-L997 PolarHBondContact O-N 3.41Å; L997-R999 PolarHBondContact O-N 3.35Å; L997-G1000 PolarHBondContact O-N 3.14Å; L997-Y1001 PolarHBondContact O-N 3.38Å |
| 998 | R | 94.3 | Very high | 90.3 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 9% | 0.087 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.3 | -170.1 | 178.9 | -59 | 114.6 | -1.1 | 112.1 | L979 K994 K995 Y1001 L1002 Q1034 S1041 | L979-R998 HydrophobicContact CD2-CB 3.81Å; L979-R998 HydrophobicContact CD2-CG 4.45Å; K994-R998 WeakPolarHBondContact O-CB 3.28Å; K994-R998 PolarHBondContact O-N 2.86Å; K995-R998 WeakPolarHBondContact O-CB 3.33Å; K995-R998 PolarHBondContact O-N 3.1Å; R998-Y1001 WeakPolarHBondContact O-CB 3.44Å; R998-Y1001 PolarHBondContact O-N 3.24Å; R998-L1002 HydrophobicContact CG-CD1 4.48Å; R998-L1002 WeakPolarHBondContact O-CG 3.23Å; R998-L1002 PolarHBondContact O-N 3.37Å; R998-Q1034 WeakPolarHBondContact CD-O 3.17Å; R998-Q1034 HydrophobicContact CG-CB 3.98Å; R998-S1041 PolarHBondContact NH1-OG 3.44Å |
| 999 | R | 94.4 | Very high | 90.5 | Very high | 73 Ų | 73 | 28.9 Ų | 28.9 | 28% | 0.275 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 173.6 | -175.1 | 169.5 | 68 | -166.7 | 7.3 | 111.9 | K995 L996 L997 Y1001 L1002 Q1003 D1043 | K995-R999 PolarHBondContact O-N 3.24Å; L996-R999 PolarHBondContact O-N 2.97Å; L997-R999 PolarHBondContact O-N 3.35Å; R999-Y1001 VanDerWaalsContact C-N 3.33Å; R999-Y1001 PolarHBondContact O-N 3.01Å; R999-L1002 PolarHBondContact O-N 2.95Å; R999-Q1003 WeakPolarHBondContact O-CB 3.29Å; R999-Q1003 WeakPolarHBondContact O-CG 3.49Å; R999-Q1003 PolarHBondContact O-N 3.4Å; R999-D1043 WeakPolarHBondContact CB-OD2 3.47Å; R999-D1043 IonicContact NH1-OD1 3.89Å |
| 1000 | G | 93.5 | Very high | 90.7 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 9% | 0.093 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L996 L997 Q1003 L1004 | L996-G1000 PolarHBondContact O-N 3.47Å; L997-G1000 PolarHBondContact O-N 3.14Å; G1000-Q1003 PolarHBondContact O-N 3.24Å; G1000-L1004 WeakPolarHBondContact O-CB 3.31Å; G1000-L1004 PolarHBondContact O-N 2.79Å |
| 1001 | Y | 93.7 | Very high | 90.9 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.8 | -54.8 | 174.2 | 172.9 | -101.1 | 0 | 0 | 0 | 112 | M972 I975 I976 L979 L997 R998 R999 Q1003 L1004 V1005 V1031 Q1034 | M972-Y1001 HydrophobicContact CE-CD2 4.22Å; M972-Y1001 HydrophobicContact CE-CE2 3.29Å; M972-Y1001 HydrophobicContact SD-CD2 4.07Å; M972-Y1001 HydrophobicContact SD-CE2 3.65Å; I975-Y1001 HydrophobicContact CB-CD2 4.31Å; I975-Y1001 HydrophobicContact CG2-CD2 3.54Å; I975-Y1001 HydrophobicContact CG2-CE2 4.42Å; I975-Y1001 HydrophobicContact CG2-CG 3.98Å; I976-Y1001 HydrophobicContact CD1-CE2 4.37Å; I976-Y1001 HydrophobicContact CG1-CE2 4.06Å; L979-Y1001 HydrophobicContact CD1-CD1 4.4Å; L979-Y1001 HydrophobicContact CD1-CG 4.22Å; L997-Y1001 PolarHBondContact O-N 3.38Å; R998-Y1001 WeakPolarHBondContact O-CB 3.44Å; R998-Y1001 PolarHBondContact O-N 3.24Å; R999-Y1001 VanDerWaalsContact C-N 3.33Å; R999-Y1001 PolarHBondContact O-N 3.01Å; Y1001-Q1003 VanDerWaalsContact C-N 3.29Å; Y1001-Q1003 PolarHBondContact O-N 3.44Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.49Å; Y1001-L1004 PolarHBondContact O-N 3.41Å; Y1001-L1004 VanDerWaalsContact O-N 3.15Å; Y1001-V1005 HydrophobicContact CD2-CG2 4.21Å; Y1001-V1005 HydrophobicContact CE1-CG2 4.2Å; Y1001-V1005 HydrophobicContact CE2-CG2 3.93Å; Y1001-V1005 VanDerWaalsContact O-CG2 3.28Å; Y1001-V1005 WeakPolarHBondContact O-CG2 3.49Å; Y1001-V1005 PolarHBondContact O-N 3.17Å; Y1001-V1031 HydrophobicContact CE1-CG2 4.37Å; Y1001-Q1034 HydrophobicContact CD1-CG 4.43Å; Y1001-Q1034 HydrophobicContact CE1-CG 4.26Å |
| 1002 | L | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.9 | -38.6 | -178.6 | -69.2 | 174.7 | 0 | 0 | 0 | 111.9 | R998 R999 Q1006 V1031 Q1034 V1035 G1046 | R998-L1002 HydrophobicContact CG-CD1 4.48Å; R998-L1002 WeakPolarHBondContact O-CG 3.23Å; R998-L1002 PolarHBondContact O-N 3.37Å; R999-L1002 PolarHBondContact O-N 2.95Å; L1002-Q1006 WeakPolarHBondContact O-CB 3.36Å; L1002-Q1006 PolarHBondContact O-N 2.6Å; L1002-V1031 HydrophobicContact CD2-CG1 3.96Å; L1002-Q1034 HydrophobicContact CD2-CB 4.18Å; L1002-V1035 HydrophobicContact CD1-CG2 4.11Å; L1002-V1035 HydrophobicContact CD2-CG2 3.88Å; L1002-G1046 WeakPolarHBondContact CD1-O 3.4Å |
| 1003 | Q | 93.8 | Very high | 90.4 | Very high | 71 Ų | 71 | 26.4 Ų | 26.4 | 33% | 0.332 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 175.9 | -75.4 | 177.4 | -6.4 | 0 | 0 | 113.2 | R999 G1000 Y1001 T1007 S1049 | R999-Q1003 WeakPolarHBondContact O-CB 3.29Å; R999-Q1003 WeakPolarHBondContact O-CG 3.49Å; R999-Q1003 PolarHBondContact O-N 3.4Å; G1000-Q1003 PolarHBondContact O-N 3.24Å; Y1001-Q1003 VanDerWaalsContact C-N 3.29Å; Y1001-Q1003 PolarHBondContact O-N 3.44Å; Q1003-T1007 WeakPolarHBondContact O-CB 3.12Å; Q1003-T1007 PolarHBondContact O-N 2.95Å; Q1003-T1007 PolarHBondContact O-OG1 3.05Å; Q1003-S1049 VanDerWaalsContact CG-OG 3.24Å; Q1003-S1049 WeakPolarHBondContact CG-OG 3.42Å |
| 1004 | L | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -51.4 | 175.2 | 178.6 | 61.8 | 0 | 0 | 0 | 110.6 | I946 V949 T950 L968 L971 I975 G1000 Y1001 Q1006 T1007 I1008 | I946-L1004 HydrophobicContact CG1-CD2 4.44Å; I946-L1004 HydrophobicContact CG2-CB 3.84Å; I946-L1004 HydrophobicContact CG2-CD1 4.43Å; I946-L1004 HydrophobicContact CG2-CD2 4.28Å; I946-L1004 HydrophobicContact CG2-CG 4.4Å; V949-L1004 HydrophobicContact CB-CD1 4.32Å; V949-L1004 HydrophobicContact CG1-CD1 4.03Å; T950-L1004 WeakPolarHBondContact OG1-CD1 3.45Å; L968-L1004 HydrophobicContact CD1-CD2 4.48Å; L971-L1004 HydrophobicContact CD2-CD2 4.21Å; I975-L1004 HydrophobicContact CD1-CD2 4.46Å; G1000-L1004 WeakPolarHBondContact O-CB 3.31Å; G1000-L1004 PolarHBondContact O-N 2.79Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.49Å; Y1001-L1004 PolarHBondContact O-N 3.41Å; Y1001-L1004 VanDerWaalsContact O-N 3.15Å; L1004-Q1006 VanDerWaalsContact C-N 3.34Å; L1004-Q1006 PolarHBondContact O-N 3.28Å; L1004-T1007 PolarHBondContact O-N 3.22Å; L1004-T1007 VanDerWaalsContact O-N 3.09Å; L1004-I1008 HydrophobicContact CD1-CD1 3.89Å; L1004-I1008 HydrophobicContact CD1-CG1 4.25Å; L1004-I1008 HydrophobicContact CG-CD1 3.82Å; L1004-I1008 VanDerWaalsContact O-CG1 3.32Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.5Å; L1004-I1008 PolarHBondContact O-N 3.38Å |
| 1005 | V | 90 | Very high | 88.6 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 179.7 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | M972 Y1001 T1007 I1008 Y1009 F1016 L1053 | M972-V1005 HydrophobicContact CE-CG2 3.6Å; M972-V1005 HydrophobicContact SD-CG2 4.3Å; Y1001-V1005 HydrophobicContact CD2-CG2 4.21Å; Y1001-V1005 HydrophobicContact CE1-CG2 4.2Å; Y1001-V1005 HydrophobicContact CE2-CG2 3.93Å; Y1001-V1005 VanDerWaalsContact O-CG2 3.28Å; Y1001-V1005 WeakPolarHBondContact O-CG2 3.49Å; Y1001-V1005 PolarHBondContact O-N 3.17Å; V1005-T1007 PolarHBondContact O-N 3.47Å; V1005-I1008 PolarHBondContact O-N 3.1Å; V1005-Y1009 PolarHBondContact O-N 3.26Å; V1005-F1016 HydrophobicContact CG1-CE2 3.58Å; V1005-F1016 HydrophobicContact CG1-CZ 4.08Å; V1005-L1053 HydrophobicContact CB-CD2 4.34Å; V1005-L1053 HydrophobicContact CG1-CD1 4.42Å; V1005-L1053 HydrophobicContact CG1-CD2 3.5Å |
| 1006 | Q | 90.9 | Very high | 87.6 | Confident | 22 Ų | 22 | 29.3 Ų | 29.3 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.8 | -47 | 172.1 | -173.4 | -159.3 | -25.2 | 0 | 0 | 111.6 | L1002 L1004 Y1009 Q1010 S1049 I1052 L1053 | L1002-Q1006 WeakPolarHBondContact O-CB 3.36Å; L1002-Q1006 PolarHBondContact O-N 2.6Å; L1004-Q1006 VanDerWaalsContact C-N 3.34Å; L1004-Q1006 PolarHBondContact O-N 3.28Å; Q1006-Y1009 PolarHBondContact O-N 2.91Å; Q1006-Q1010 WeakPolarHBondContact O-CB 3.46Å; Q1006-Q1010 VanDerWaalsContact O-CG 3.23Å; Q1006-Q1010 WeakPolarHBondContact O-CG 3.44Å; Q1006-Q1010 PolarHBondContact O-N 3.06Å; Q1006-S1049 VanDerWaalsContact OE1-CA 3.32Å; Q1006-S1049 PolarHBondContact OE1-O 2.88Å; Q1006-S1049 PolarHBondContact OE1-OG 3.47Å; Q1006-I1052 HydrophobicContact CG-CG2 4.3Å; Q1006-L1053 HydrophobicContact CB-CB 4.24Å; Q1006-L1053 HydrophobicContact CG-CB 4.31Å |
| 1007 | T | 91 | Very high | 86.4 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | -176.7 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | T950 V953 L954 Q1003 L1004 V1005 Q1010 S1011 | T950-T1007 HydrophobicContact CG2-CG2 3.75Å; V953-T1007 HydrophobicContact CG1-CG2 4.49Å; L954-T1007 HydrophobicContact CD1-CG2 4.14Å; L954-T1007 HydrophobicContact CD2-CG2 3.61Å; L954-T1007 HydrophobicContact CG-CG2 3.69Å; Q1003-T1007 WeakPolarHBondContact O-CB 3.12Å; Q1003-T1007 PolarHBondContact O-N 2.95Å; Q1003-T1007 PolarHBondContact O-OG1 3.05Å; L1004-T1007 PolarHBondContact O-N 3.22Å; L1004-T1007 VanDerWaalsContact O-N 3.09Å; V1005-T1007 PolarHBondContact O-N 3.47Å; T1007-Q1010 PolarHBondContact O-N 3.36Å; T1007-S1011 VanDerWaalsContact O-CB 3.31Å; T1007-S1011 WeakPolarHBondContact O-CB 3.4Å; T1007-S1011 PolarHBondContact O-N 3.33Å; T1007-S1011 PolarHBondContact O-OG 2.92Å |
| 1008 | I | 89.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.1 | -68.5 | 166.1 | 0 | 0 | 0 | 109.4 | V953 L968 L1004 V1005 Q1010 S1011 I1012 | V953-I1008 HydrophobicContact CG1-CG1 4.49Å; V953-I1008 HydrophobicContact CG2-CG1 4.16Å; L968-I1008 HydrophobicContact CD1-CD1 3.68Å; L968-I1008 HydrophobicContact CD2-CD1 3.8Å; L968-I1008 HydrophobicContact CG-CD1 4.42Å; L1004-I1008 HydrophobicContact CD1-CD1 3.89Å; L1004-I1008 HydrophobicContact CD1-CG1 4.25Å; L1004-I1008 HydrophobicContact CG-CD1 3.82Å; L1004-I1008 VanDerWaalsContact O-CG1 3.32Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.5Å; L1004-I1008 PolarHBondContact O-N 3.38Å; V1005-I1008 PolarHBondContact O-N 3.1Å; I1008-Q1010 VanDerWaalsContact C-N 3.33Å; I1008-Q1010 PolarHBondContact O-N 3.49Å; I1008-S1011 PolarHBondContact O-N 3.45Å; I1008-I1012 CarbonylContact O-C 3.56Å; I1008-I1012 PolarHBondContact O-N 3.39Å |
| 1009 | Y | 87.9 | Confident | 83.5 | Confident | 29 Ų | 29 | 39.4 Ų | 39.4 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 178.2 | -169.5 | -111 | 0 | 0 | 0 | 112.8 | V1005 Q1006 S1011 P1013 F1016 L1053 Q1056 L1057 S1060 | V1005-Y1009 PolarHBondContact O-N 3.26Å; Q1006-Y1009 PolarHBondContact O-N 2.91Å; Y1009-S1011 VanDerWaalsContact C-N 3.35Å; Y1009-S1011 PolarHBondContact O-N 3.1Å; Y1009-P1013 WeakPolarHBondContact O-CG 3.46Å; Y1009-F1016 HydrophobicContact CD2-CB 3.66Å; Y1009-F1016 AromaticContact CD2-CD1 3.12Å; Y1009-F1016 HydrophobicContact CD2-CD1 3.12Å; Y1009-F1016 HydrophobicContact CD2-CD2 4.07Å; Y1009-F1016 AromaticContact CD2-CE1 3.58Å; Y1009-F1016 HydrophobicContact CD2-CE1 3.58Å; Y1009-F1016 HydrophobicContact CD2-CE2 4.45Å; Y1009-F1016 AromaticContact CD2-CG 3.38Å; Y1009-F1016 HydrophobicContact CD2-CG 3.38Å; Y1009-F1016 HydrophobicContact CD2-CZ 4.23Å; Y1009-F1016 HydrophobicContact CE2-CB 4.28Å; Y1009-F1016 AromaticContact CE2-CD1 3.44Å; Y1009-F1016 HydrophobicContact CE2-CD1 3.44Å; Y1009-F1016 VanDerWaalsContact CE2-CD1 3.44Å; Y1009-F1016 AromaticContact CE2-CE1 3.91Å; Y1009-F1016 HydrophobicContact CE2-CE1 3.91Å; Y1009-F1016 HydrophobicContact CE2-CG 4.08Å; Y1009-F1016 HydrophobicContact CG-CD1 4.18Å; Y1009-F1016 HydrophobicContact CG-CE1 4.31Å; Y1009-F1016 HydrophobicContact CG-CG 4.31Å; Y1009-L1053 HydrophobicContact CD1-CD1 4.12Å; Y1009-L1053 HydrophobicContact CG-CD1 3.96Å; Y1009-Q1056 HydrophobicContact CD1-CB 3.78Å; Y1009-Q1056 HydrophobicContact CE1-CB 3.61Å; Y1009-L1057 HydrophobicContact CE1-CD2 4.47Å; Y1009-L1057 HydrophobicContact CE1-CG 4.36Å; Y1009-L1057 HydrophobicContact CE2-CD2 4.02Å; Y1009-S1060 WeakPolarHBondContact OH-CB 3.42Å; Y1009-S1060 PolarHBondContact OH-OG 2.98Å |
| 1010 | Q | 87.7 | Confident | 82.1 | Confident | 87 Ų | 87 | 36.9 Ų | 36.9 | 41% | 0.407 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.6 | -36 | 179 | -75.3 | -176.5 | 5.4 | 0 | 0 | 113.6 | Q1006 T1007 I1008 Q1056 | Q1006-Q1010 WeakPolarHBondContact O-CB 3.46Å; Q1006-Q1010 VanDerWaalsContact O-CG 3.23Å; Q1006-Q1010 WeakPolarHBondContact O-CG 3.44Å; Q1006-Q1010 PolarHBondContact O-N 3.06Å; T1007-Q1010 PolarHBondContact O-N 3.36Å; I1008-Q1010 VanDerWaalsContact C-N 3.33Å; I1008-Q1010 PolarHBondContact O-N 3.49Å; Q1010-Q1056 VanDerWaalsContact CG-NE2 3.29Å; Q1010-Q1056 VanDerWaalsContact NE2-CD 3.29Å |
| 1011 | S | 86.6 | Confident | 80.4 | Confident | 30 Ų | 30 | 40 Ų | 40 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -95.5 | -36.4 | -170.2 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | T1007 I1008 Y1009 | T1007-S1011 VanDerWaalsContact O-CB 3.31Å; T1007-S1011 WeakPolarHBondContact O-CB 3.4Å; T1007-S1011 PolarHBondContact O-N 3.33Å; T1007-S1011 PolarHBondContact O-OG 2.92Å; I1008-S1011 PolarHBondContact O-N 3.45Å; Y1009-S1011 VanDerWaalsContact C-N 3.35Å; Y1009-S1011 PolarHBondContact O-N 3.1Å |
| 1012 | I | 84.3 | Confident | 79 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | trans | -141.8 | 74.7 | -175.2 | -43.5 | 171.8 | 0 | 0 | 0 | 109.3 | V953 K957 S960 I961 L964 I1008 D1014 V1015 | V953-I1012 HydrophobicContact CG1-CD1 4.23Å; V953-I1012 HydrophobicContact CG1-CG1 4.48Å; K957-I1012 WeakPolarHBondContact O-CD1 3.31Å; S960-I1012 VanDerWaalsContact OG-CD1 3.32Å; S960-I1012 WeakPolarHBondContact OG-CD1 3.46Å; I961-I1012 HydrophobicContact CD1-CG2 4.16Å; I961-I1012 HydrophobicContact CG1-CD1 4.49Å; I961-I1012 HydrophobicContact CG1-CG2 4.07Å; L964-I1012 HydrophobicContact CD1-CD1 3.66Å; I1008-I1012 CarbonylContact O-C 3.56Å; I1008-I1012 PolarHBondContact O-N 3.39Å; I1012-D1014 PolarHBondContact O-N 3.26Å; I1012-V1015 HydrophobicContact CB-CB 4.47Å; I1012-V1015 HydrophobicContact CB-CG2 4.43Å; I1012-V1015 HydrophobicContact CG2-CB 3.97Å; I1012-V1015 HydrophobicContact CG2-CG2 3.52Å; I1012-V1015 PolarHBondContact O-N 3.09Å | ||
| 1013 | P | 78.8 | Confident | 78.1 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.2 | -33.9 | -176.8 | -21.2 | 30.2 | 0 | 0 | 0 | 113.3 | Y1009 V1015 F1016 S1017 | Y1009-P1013 WeakPolarHBondContact O-CG 3.46Å; P1013-V1015 VanDerWaalsContact C-N 3.32Å; P1013-V1015 PolarHBondContact O-N 3.31Å; P1013-F1016 WeakPolarHBondContact O-CB 3.26Å; P1013-F1016 PolarHBondContact O-N 3.25Å; P1013-F1016 VanDerWaalsContact O-N 3.17Å; P1013-S1017 PolarHBondContact O-N 3.21Å; P1013-S1017 PolarHBondContact O-OG 3.25Å |
| 1014 | D | 73.4 | Confident | 77.2 | Confident | 110 Ų | 110 | 53.2 Ų | 53.2 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.8 | -31.6 | -176.7 | -60.5 | -29.5 | 0 | 0 | 0 | 113.4 | I1012 S1017 Q1018 | I1012-D1014 PolarHBondContact O-N 3.26Å; D1014-S1017 WeakPolarHBondContact CA-OG 3.39Å; D1014-S1017 PolarHBondContact O-OG 3.48Å; D1014-Q1018 WeakPolarHBondContact O-CG 3.44Å; D1014-Q1018 PolarHBondContact O-N 3.07Å |
| 1015 | V | 69.1 | Low | 76.4 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.2 | -35.1 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | I961 I1012 P1013 S1017 Q1018 L1019 | I961-V1015 HydrophobicContact CB-CG2 4.39Å; I961-V1015 HydrophobicContact CD1-CG2 4.3Å; I961-V1015 HydrophobicContact CG1-CG2 3.77Å; I961-V1015 HydrophobicContact CG2-CG2 4.03Å; I1012-V1015 HydrophobicContact CB-CB 4.47Å; I1012-V1015 HydrophobicContact CB-CG2 4.43Å; I1012-V1015 HydrophobicContact CG2-CB 3.97Å; I1012-V1015 HydrophobicContact CG2-CG2 3.52Å; I1012-V1015 PolarHBondContact O-N 3.09Å; P1013-V1015 VanDerWaalsContact C-N 3.32Å; P1013-V1015 PolarHBondContact O-N 3.31Å; V1015-S1017 VanDerWaalsContact C-N 3.35Å; V1015-S1017 PolarHBondContact O-N 3.47Å; V1015-Q1018 PolarHBondContact O-N 3.28Å; V1015-L1019 HydrophobicContact CG1-CD1 3.6Å; V1015-L1019 HydrophobicContact CG1-CG 4.32Å; V1015-L1019 WeakPolarHBondContact O-CD1 3.49Å; V1015-L1019 WeakPolarHBondContact O-CG 3.29Å; V1015-L1019 PolarHBondContact O-N 3.07Å |
| 1016 | F | 69.8 | Low | 76.1 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 177.8 | -164.9 | -103.2 | 0 | 0 | 0 | 112.1 | V1005 Y1009 P1013 Q1018 L1019 I1020 L1053 L1057 | V1005-F1016 HydrophobicContact CG1-CE2 3.58Å; V1005-F1016 HydrophobicContact CG1-CZ 4.08Å; Y1009-F1016 HydrophobicContact CD2-CB 3.66Å; Y1009-F1016 AromaticContact CD2-CD1 3.12Å; Y1009-F1016 HydrophobicContact CD2-CD1 3.12Å; Y1009-F1016 HydrophobicContact CD2-CD2 4.07Å; Y1009-F1016 AromaticContact CD2-CE1 3.58Å; Y1009-F1016 HydrophobicContact CD2-CE1 3.58Å; Y1009-F1016 HydrophobicContact CD2-CE2 4.45Å; Y1009-F1016 AromaticContact CD2-CG 3.38Å; Y1009-F1016 HydrophobicContact CD2-CG 3.38Å; Y1009-F1016 HydrophobicContact CD2-CZ 4.23Å; Y1009-F1016 HydrophobicContact CE2-CB 4.28Å; Y1009-F1016 AromaticContact CE2-CD1 3.44Å; Y1009-F1016 HydrophobicContact CE2-CD1 3.44Å; Y1009-F1016 VanDerWaalsContact CE2-CD1 3.44Å; Y1009-F1016 AromaticContact CE2-CE1 3.91Å; Y1009-F1016 HydrophobicContact CE2-CE1 3.91Å; Y1009-F1016 HydrophobicContact CE2-CG 4.08Å; Y1009-F1016 HydrophobicContact CG-CD1 4.18Å; Y1009-F1016 HydrophobicContact CG-CE1 4.31Å; Y1009-F1016 HydrophobicContact CG-CG 4.31Å; P1013-F1016 WeakPolarHBondContact O-CB 3.26Å; P1013-F1016 PolarHBondContact O-N 3.25Å; P1013-F1016 VanDerWaalsContact O-N 3.17Å; F1016-Q1018 VanDerWaalsContact C-N 3.33Å; F1016-Q1018 PolarHBondContact O-N 3.03Å; F1016-L1019 PolarHBondContact O-N 3.36Å; F1016-I1020 HydrophobicContact CD1-CD1 3.3Å; F1016-I1020 HydrophobicContact CD1-CG1 4.39Å; F1016-I1020 HydrophobicContact CD2-CD1 4.03Å; F1016-I1020 HydrophobicContact CE1-CD1 2.98Å; F1016-I1020 HydrophobicContact CE1-CG1 4.37Å; F1016-I1020 HydrophobicContact CE2-CD1 3.73Å; F1016-I1020 HydrophobicContact CG-CD1 3.84Å; F1016-I1020 HydrophobicContact CZ-CD1 3.23Å; F1016-I1020 WeakPolarHBondContact O-CB 3.33Å; F1016-I1020 VanDerWaalsContact O-CG1 3.25Å; F1016-I1020 WeakPolarHBondContact O-CG1 3.03Å; F1016-I1020 PolarHBondContact O-N 2.77Å; F1016-L1053 HydrophobicContact CZ-CD1 4.01Å; F1016-L1057 HydrophobicContact CE1-CD1 4.43Å; F1016-L1057 HydrophobicContact CE1-CD2 4.02Å |
| 1017 | S | 67.5 | Low | 75.6 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 173.6 | 36.5 | 0 | 0 | 0 | 0 | 112.4 | P1013 D1014 V1015 S1021 | P1013-S1017 PolarHBondContact O-N 3.21Å; P1013-S1017 PolarHBondContact O-OG 3.25Å; D1014-S1017 WeakPolarHBondContact CA-OG 3.39Å; D1014-S1017 PolarHBondContact O-OG 3.48Å; V1015-S1017 VanDerWaalsContact C-N 3.35Å; V1015-S1017 PolarHBondContact O-N 3.47Å; S1017-S1021 WeakPolarHBondContact O-CB 3.49Å; S1017-S1021 PolarHBondContact O-N 3.41Å; S1017-S1021 VanDerWaalsContact O-N 3.15Å |
| 1018 | Q | 66 | Low | 75.3 | Confident | 134 Ų | 134 | 62.6 Ų | 62.6 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.6 | -45.3 | 173.5 | -71.2 | 178 | -1 | 0 | 0 | 112.4 | D1014 V1015 F1016 I1020 S1021 | D1014-Q1018 WeakPolarHBondContact O-CG 3.44Å; D1014-Q1018 PolarHBondContact O-N 3.07Å; V1015-Q1018 PolarHBondContact O-N 3.28Å; F1016-Q1018 VanDerWaalsContact C-N 3.33Å; F1016-Q1018 PolarHBondContact O-N 3.03Å; Q1018-I1020 PolarHBondContact O-N 3.18Å; Q1018-S1021 PolarHBondContact O-N 3.14Å; Q1018-S1021 PolarHBondContact O-OG 3.24Å |
| 1019 | L | 59.4 | Low | 75.2 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -25.2 | -179 | -74.2 | 155.5 | 0 | 0 | 0 | 113.8 | L968 V1015 F1016 | L968-L1019 HydrophobicContact CD2-CD1 3.34Å; L968-L1019 HydrophobicContact CD2-CD2 4.07Å; L968-L1019 HydrophobicContact CD2-CG 4.35Å; V1015-L1019 HydrophobicContact CG1-CD1 3.6Å; V1015-L1019 HydrophobicContact CG1-CG 4.32Å; V1015-L1019 WeakPolarHBondContact O-CD1 3.49Å; V1015-L1019 WeakPolarHBondContact O-CG 3.29Å; V1015-L1019 PolarHBondContact O-N 3.07Å; F1016-L1019 PolarHBondContact O-N 3.36Å |
| 1020 | I | 65 | Low | 75.2 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -102 | -15.1 | -173.6 | -63.8 | -179.6 | 0 | 0 | 0 | 111.7 | F1016 Q1018 E1022 N1023 I1024 L1028 | F1016-I1020 HydrophobicContact CD1-CD1 3.3Å; F1016-I1020 HydrophobicContact CD1-CG1 4.39Å; F1016-I1020 HydrophobicContact CD2-CD1 4.03Å; F1016-I1020 HydrophobicContact CE1-CD1 2.98Å; F1016-I1020 HydrophobicContact CE1-CG1 4.37Å; F1016-I1020 HydrophobicContact CE2-CD1 3.73Å; F1016-I1020 HydrophobicContact CG-CD1 3.84Å; F1016-I1020 HydrophobicContact CZ-CD1 3.23Å; F1016-I1020 WeakPolarHBondContact O-CB 3.33Å; F1016-I1020 VanDerWaalsContact O-CG1 3.25Å; F1016-I1020 WeakPolarHBondContact O-CG1 3.03Å; F1016-I1020 PolarHBondContact O-N 2.77Å; Q1018-I1020 PolarHBondContact O-N 3.18Å; I1020-E1022 VanDerWaalsContact C-N 3.32Å; I1020-E1022 PolarHBondContact O-N 3.14Å; I1020-E1022 VanDerWaalsContact O-N 3.1Å; I1020-N1023 CarbonylContact O-C 3.59Å; I1020-N1023 PolarHBondContact O-N 2.93Å; I1020-I1024 VanDerWaalsContact CG2-CA 3.48Å; I1020-I1024 HydrophobicContact CG2-CB 3.82Å; I1020-I1024 HydrophobicContact CG2-CG1 3.9Å; I1020-I1024 HydrophobicContact CG2-CG2 3.68Å; I1020-I1024 WeakPolarHBondContact O-CA 3.33Å; I1020-I1024 VanDerWaalsContact O-CG1 3.3Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.26Å; I1020-I1024 PolarHBondContact O-N 2.99Å; I1020-L1028 HydrophobicContact CD1-CD2 4.25Å |
| 1021 | S | 59.5 | Low | 75.3 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 53% | 0.531 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -36.4 | -167.9 | 59.4 | 0 | 0 | 0 | 0 | 116 | S1017 Q1018 | S1017-S1021 WeakPolarHBondContact O-CB 3.49Å; S1017-S1021 PolarHBondContact O-N 3.41Å; S1017-S1021 VanDerWaalsContact O-N 3.15Å; Q1018-S1021 PolarHBondContact O-N 3.14Å; Q1018-S1021 PolarHBondContact O-OG 3.24Å |
| 1022 | E | 63.5 | Low | 75.6 | Confident | 180 Ų | 180 | 60.3 Ų | 60.3 | 84% | 0.841 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -25.7 | -174.8 | -69.3 | -170 | 163.9 | 0 | 0 | 114.3 | I1020 | I1020-E1022 VanDerWaalsContact C-N 3.32Å; I1020-E1022 PolarHBondContact O-N 3.14Å; I1020-E1022 VanDerWaalsContact O-N 3.1Å |
| 1023 | N | 75.1 | Confident | 75.9 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 51% | 0.508 | 34% | 0.342 | S | S | . | . | trans | -152.7 | 61.3 | -177 | -86.9 | -40.5 | 0 | 0 | 0 | 111.8 | I1020 V1025 Q1026 N1027 | I1020-N1023 CarbonylContact O-C 3.59Å; I1020-N1023 PolarHBondContact O-N 2.93Å; N1023-V1025 VanDerWaalsContact C-N 3.33Å; N1023-V1025 PolarHBondContact O-N 3.44Å; N1023-Q1026 HydrophobicContact CB-CB 4.25Å; N1023-Q1026 PolarHBondContact O-N 3.37Å; N1023-N1027 PolarHBondContact O-N 3.28Å | ||
| 1024 | I | 73.4 | Confident | 76.6 | Confident | 78 Ų | 78 | 59.4 Ų | 59.4 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -51.7 | -50.7 | -171.4 | -52.8 | -174.4 | 0 | 0 | 0 | 112.2 | I1020 L1028 | I1020-I1024 VanDerWaalsContact CG2-CA 3.48Å; I1020-I1024 HydrophobicContact CG2-CB 3.82Å; I1020-I1024 HydrophobicContact CG2-CG1 3.9Å; I1020-I1024 HydrophobicContact CG2-CG2 3.68Å; I1020-I1024 WeakPolarHBondContact O-CA 3.33Å; I1020-I1024 VanDerWaalsContact O-CG1 3.3Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.26Å; I1020-I1024 PolarHBondContact O-N 2.99Å; I1024-L1028 HydrophobicContact CG2-CD1 3.72Å; I1024-L1028 HydrophobicContact CG2-CG 4.43Å; I1024-L1028 WeakPolarHBondContact O-CB 3.23Å; I1024-L1028 VanDerWaalsContact O-CG 3.27Å; I1024-L1028 WeakPolarHBondContact O-CG 3.49Å; I1024-L1028 PolarHBondContact O-N 3.17Å |
| 1025 | V | 77.3 | Confident | 77.6 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | -175.1 | -178.3 | 0 | 0 | 0 | 0 | 111.4 | N1023 S1029 D1070 F1071 | N1023-V1025 VanDerWaalsContact C-N 3.33Å; N1023-V1025 PolarHBondContact O-N 3.44Å; V1025-S1029 WeakPolarHBondContact O-CB 3.24Å; V1025-S1029 PolarHBondContact O-N 3.47Å; V1025-S1029 PolarHBondContact O-OG 3.48Å; V1025-D1070 HydrophobicContact CG2-CB 4.32Å; V1025-F1071 HydrophobicContact CG1-CD2 4.3Å |
| 1026 | Q | 82.2 | Confident | 78.7 | Confident | 122 Ų | 122 | 57.5 Ų | 57.5 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.8 | -41.8 | -179 | -171.1 | 178.8 | 1.9 | 0 | 0 | 112.1 | N1023 S1029 T1030 | N1023-Q1026 HydrophobicContact CB-CB 4.25Å; N1023-Q1026 PolarHBondContact O-N 3.37Å; Q1026-S1029 PolarHBondContact O-N 3.02Å; Q1026-T1030 PolarHBondContact O-N 2.9Å; Q1026-T1030 PolarHBondContact O-OG1 2.92Å |
| 1027 | N | 81 | Confident | 79.8 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 35% | 0.348 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 178.2 | -72.2 | -16.1 | 0 | 0 | 0 | 111 | N1023 S1029 T1030 V1031 | N1023-N1027 PolarHBondContact O-N 3.28Å; N1027-S1029 VanDerWaalsContact C-N 3.33Å; N1027-S1029 PolarHBondContact O-N 3.32Å; N1027-T1030 WeakPolarHBondContact O-CB 3.36Å; N1027-T1030 PolarHBondContact O-N 3.09Å; N1027-V1031 WeakPolarHBondContact O-CG2 3.37Å; N1027-V1031 PolarHBondContact O-N 3.36Å |
| 1028 | L | 85.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.4 | -31 | 176.7 | -67.6 | 177.6 | 0 | 0 | 0 | 112.7 | I1020 I1024 V1031 L1032 F1054 L1057 F1067 F1071 | I1020-L1028 HydrophobicContact CD1-CD2 4.25Å; I1024-L1028 HydrophobicContact CG2-CD1 3.72Å; I1024-L1028 HydrophobicContact CG2-CG 4.43Å; I1024-L1028 WeakPolarHBondContact O-CB 3.23Å; I1024-L1028 VanDerWaalsContact O-CG 3.27Å; I1024-L1028 WeakPolarHBondContact O-CG 3.49Å; I1024-L1028 PolarHBondContact O-N 3.17Å; L1028-V1031 PolarHBondContact O-N 3Å; L1028-L1032 WeakPolarHBondContact O-CB 3.34Å; L1028-L1032 PolarHBondContact O-N 2.92Å; L1028-F1054 HydrophobicContact CD2-CE1 4.48Å; L1028-L1057 HydrophobicContact CD2-CD1 3.72Å; L1028-F1067 HydrophobicContact CD1-CD2 4.37Å; L1028-F1067 HydrophobicContact CD1-CE2 3.39Å; L1028-F1067 HydrophobicContact CD1-CZ 3.92Å; L1028-F1071 HydrophobicContact CB-CD2 4.25Å; L1028-F1071 HydrophobicContact CB-CE1 4.04Å; L1028-F1071 HydrophobicContact CB-CE2 3.71Å; L1028-F1071 HydrophobicContact CB-CZ 3.59Å; L1028-F1071 HydrophobicContact CD1-CD1 4.47Å; L1028-F1071 HydrophobicContact CD1-CE1 4.44Å |
| 1029 | S | 87.1 | Confident | 82.2 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 172.2 | -62 | 0 | 0 | 0 | 0 | 111.6 | V1025 Q1026 N1027 L1032 G1033 | V1025-S1029 WeakPolarHBondContact O-CB 3.24Å; V1025-S1029 PolarHBondContact O-N 3.47Å; V1025-S1029 PolarHBondContact O-OG 3.48Å; Q1026-S1029 PolarHBondContact O-N 3.02Å; N1027-S1029 VanDerWaalsContact C-N 3.33Å; N1027-S1029 PolarHBondContact O-N 3.32Å; S1029-L1032 PolarHBondContact O-N 3.43Å; S1029-G1033 PolarHBondContact O-N 3.03Å |
| 1030 | T | 87.1 | Confident | 83.6 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 172.1 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | Q1026 N1027 G1033 Q1034 | Q1026-T1030 PolarHBondContact O-N 2.9Å; Q1026-T1030 PolarHBondContact O-OG1 2.92Å; N1027-T1030 WeakPolarHBondContact O-CB 3.36Å; N1027-T1030 PolarHBondContact O-N 3.09Å; T1030-G1033 PolarHBondContact O-N 3.22Å; T1030-Q1034 WeakPolarHBondContact O-CG 3.35Å; T1030-Q1034 PolarHBondContact O-N 2.94Å |
| 1031 | V | 90 | Very high | 84.6 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.5 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | Y1001 L1002 N1027 L1028 G1033 Q1034 V1035 L1053 F1054 | Y1001-V1031 HydrophobicContact CE1-CG2 4.37Å; L1002-V1031 HydrophobicContact CD2-CG1 3.96Å; N1027-V1031 WeakPolarHBondContact O-CG2 3.37Å; N1027-V1031 PolarHBondContact O-N 3.36Å; L1028-V1031 PolarHBondContact O-N 3Å; V1031-G1033 VanDerWaalsContact C-N 3.32Å; V1031-G1033 PolarHBondContact O-N 3.28Å; V1031-Q1034 WeakPolarHBondContact O-CB 3.32Å; V1031-Q1034 PolarHBondContact O-N 2.98Å; V1031-Q1034 VanDerWaalsContact O-N 3.08Å; V1031-V1035 WeakPolarHBondContact O-CG2 3.24Å; V1031-V1035 PolarHBondContact O-N 3.43Å; V1031-L1053 HydrophobicContact CG1-CD2 3.74Å; V1031-F1054 HydrophobicContact CB-CZ 4.34Å; V1031-F1054 HydrophobicContact CG1-CE2 4.24Å; V1031-F1054 HydrophobicContact CG1-CZ 3.94Å |
| 1032 | L | 92.1 | Very high | 86 | Confident | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 177.6 | -177.2 | 60.7 | 0 | 0 | 0 | 112 | L1028 S1029 Q1034 V1035 Q1036 F1054 F1071 H1075 L1076 F1079 | L1028-L1032 WeakPolarHBondContact O-CB 3.34Å; L1028-L1032 PolarHBondContact O-N 2.92Å; S1029-L1032 PolarHBondContact O-N 3.43Å; L1032-Q1034 VanDerWaalsContact C-N 3.28Å; L1032-Q1034 PolarHBondContact O-N 2.92Å; L1032-V1035 WeakPolarHBondContact O-CB 3.41Å; L1032-V1035 PolarHBondContact O-N 3.21Å; L1032-Q1036 WeakPolarHBondContact O-CG 3.48Å; L1032-Q1036 PolarHBondContact O-N 3.17Å; L1032-F1054 HydrophobicContact CB-CE2 4.14Å; L1032-F1054 HydrophobicContact CB-CZ 3.8Å; L1032-F1054 HydrophobicContact CD1-CE2 3.82Å; L1032-F1054 HydrophobicContact CD1-CZ 4.21Å; L1032-F1071 HydrophobicContact CB-CZ 4.28Å; L1032-F1071 HydrophobicContact CD2-CE2 4.43Å; L1032-F1071 HydrophobicContact CD2-CZ 4.23Å; L1032-H1075 HydrophobicContact CD2-CB 3.75Å; L1032-L1076 HydrophobicContact CD1-CD1 3.83Å; L1032-F1079 HydrophobicContact CD1-CB 4.41Å; L1032-F1079 HydrophobicContact CD1-CD1 3.85Å; L1032-F1079 HydrophobicContact CD1-CE1 4.44Å; L1032-F1079 HydrophobicContact CD1-CG 4.22Å |
| 1033 | G | 92.3 | Very high | 87.4 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 29% | 0.289 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60 | -37.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1029 T1030 V1031 Q1036 A1037 | S1029-G1033 PolarHBondContact O-N 3.03Å; T1030-G1033 PolarHBondContact O-N 3.22Å; V1031-G1033 VanDerWaalsContact C-N 3.32Å; V1031-G1033 PolarHBondContact O-N 3.28Å; G1033-Q1036 PolarHBondContact O-N 3.23Å; G1033-A1037 WeakPolarHBondContact O-CB 3.43Å; G1033-A1037 PolarHBondContact O-N 3.02Å |
| 1034 | Q | 92.7 | Very high | 88.2 | Confident | 18 Ų | 18 | 40.4 Ų | 40.4 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 171.8 | -60.1 | -50.3 | -43.6 | 0 | 0 | 112.2 | L979 R998 Y1001 L1002 T1030 V1031 L1032 Q1036 A1037 C1038 | L979-Q1034 HydrophobicContact CD1-CG 4.43Å; R998-Q1034 WeakPolarHBondContact CD-O 3.17Å; R998-Q1034 HydrophobicContact CG-CB 3.98Å; Y1001-Q1034 HydrophobicContact CD1-CG 4.43Å; Y1001-Q1034 HydrophobicContact CE1-CG 4.26Å; L1002-Q1034 HydrophobicContact CD2-CB 4.18Å; T1030-Q1034 WeakPolarHBondContact O-CG 3.35Å; T1030-Q1034 PolarHBondContact O-N 2.94Å; V1031-Q1034 WeakPolarHBondContact O-CB 3.32Å; V1031-Q1034 PolarHBondContact O-N 2.98Å; V1031-Q1034 VanDerWaalsContact O-N 3.08Å; L1032-Q1034 VanDerWaalsContact C-N 3.28Å; L1032-Q1034 PolarHBondContact O-N 2.92Å; Q1034-Q1036 VanDerWaalsContact C-N 3.33Å; Q1034-Q1036 PolarHBondContact O-N 3.39Å; Q1034-A1037 PolarHBondContact O-N 3.43Å; Q1034-C1038 PolarHBondContact O-N 3.4Å |
| 1035 | V | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -39.2 | 174.3 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | L1002 V1031 L1032 C1038 L1047 G1050 F1054 F1079 | L1002-V1035 HydrophobicContact CD1-CG2 4.11Å; L1002-V1035 HydrophobicContact CD2-CG2 3.88Å; V1031-V1035 WeakPolarHBondContact O-CG2 3.24Å; V1031-V1035 PolarHBondContact O-N 3.43Å; L1032-V1035 WeakPolarHBondContact O-CB 3.41Å; L1032-V1035 PolarHBondContact O-N 3.21Å; V1035-C1038 WeakPolarHBondContact O-CB 3.31Å; V1035-C1038 PolarHBondContact O-N 2.94Å; V1035-L1047 HydrophobicContact CG1-CD1 3.62Å; V1035-G1050 VanDerWaalsContact CG2-CA 3.5Å; V1035-F1054 HydrophobicContact CG2-CD2 4.42Å; V1035-F1054 HydrophobicContact CG2-CE2 3.83Å; V1035-F1079 HydrophobicContact CB-CE1 4.49Å; V1035-F1079 HydrophobicContact CG1-CE1 3.62Å; V1035-F1079 HydrophobicContact CG1-CZ 3.87Å |
| 1036 | Q | 93.5 | Very high | 89.8 | Confident | 78 Ų | 78 | 36.5 Ų | 36.5 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 173.5 | -73.7 | 171.9 | -9 | 0 | 0 | 111.5 | L1032 G1033 Q1034 C1038 L1039 E1040 F1079 | L1032-Q1036 WeakPolarHBondContact O-CG 3.48Å; L1032-Q1036 PolarHBondContact O-N 3.17Å; G1033-Q1036 PolarHBondContact O-N 3.23Å; Q1034-Q1036 VanDerWaalsContact C-N 3.33Å; Q1034-Q1036 PolarHBondContact O-N 3.39Å; Q1036-C1038 PolarHBondContact O-N 3.24Å; Q1036-L1039 WeakPolarHBondContact O-CB 3.47Å; Q1036-L1039 PolarHBondContact O-N 2.9Å; Q1036-E1040 PolarHBondContact O-N 3.4Å; Q1036-F1079 HydrophobicContact CB-CE2 4.28Å; Q1036-F1079 HydrophobicContact CG-CD2 3.49Å; Q1036-F1079 VanDerWaalsContact CG-CD2 3.49Å; Q1036-F1079 HydrophobicContact CG-CE2 3.55Å; Q1036-F1079 HydrophobicContact CG-CG 4.13Å; Q1036-F1079 HydrophobicContact CG-CZ 4.24Å |
| 1037 | A | 91.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 30.7 Ų | 30.7 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -26.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | G1033 Q1034 L1039 E1040 S1041 | G1033-A1037 WeakPolarHBondContact O-CB 3.43Å; G1033-A1037 PolarHBondContact O-N 3.02Å; Q1034-A1037 PolarHBondContact O-N 3.43Å; A1037-L1039 VanDerWaalsContact C-N 3.34Å; A1037-E1040 PolarHBondContact O-N 2.92Å; A1037-S1041 WeakPolarHBondContact O-CB 3.33Å; A1037-S1041 PolarHBondContact O-N 2.87Å; A1037-S1041 PolarHBondContact O-OG 2.76Å |
| 1038 | C | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | 171 | -77.1 | 0 | 0 | 0 | 0 | 112.8 | Q1034 V1035 Q1036 S1041 D1042 D1043 L1047 | Q1034-C1038 PolarHBondContact O-N 3.4Å; V1035-C1038 WeakPolarHBondContact O-CB 3.31Å; V1035-C1038 PolarHBondContact O-N 2.94Å; Q1036-C1038 PolarHBondContact O-N 3.24Å; C1038-S1041 PolarHBondContact O-OG 3.31Å; C1038-D1042 PolarHBondContact O-N 2.77Å; C1038-D1043 HydrophobicContact CB-CB 4.35Å; C1038-D1043 PolarHBondContact O-N 2.9Å; C1038-L1047 HydrophobicContact CB-CB 4.06Å |
| 1039 | L | 91.4 | Very high | 91.3 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69 | -41.6 | 175 | 179.1 | 60.8 | 0 | 0 | 0 | 110.9 | Q1036 A1037 S1041 D1042 L1047 F1079 G1083 I1088 F1089 F1096 | Q1036-L1039 WeakPolarHBondContact O-CB 3.47Å; Q1036-L1039 PolarHBondContact O-N 2.9Å; A1037-L1039 VanDerWaalsContact C-N 3.34Å; L1039-S1041 VanDerWaalsContact C-N 3.32Å; L1039-S1041 PolarHBondContact O-N 3.25Å; L1039-D1042 PolarHBondContact O-N 3.35Å; L1039-L1047 HydrophobicContact CB-CD2 4.46Å; L1039-L1047 HydrophobicContact CD1-CD2 4.16Å; L1039-F1079 HydrophobicContact CD2-CE2 4.23Å; L1039-G1083 WeakPolarHBondContact CD2-O 3.23Å; L1039-I1088 VanDerWaalsContact O-CG2 3.25Å; L1039-I1088 WeakPolarHBondContact O-CG2 2.81Å; L1039-F1089 HydrophobicContact CD1-CB 4.16Å; L1039-F1089 HydrophobicContact CD1-CD2 3.77Å; L1039-F1089 HydrophobicContact CD1-CG 4.43Å; L1039-F1096 HydrophobicContact CD1-CE1 4.06Å |
| 1040 | E | 89.3 | Confident | 91.6 | Very high | 150 Ų | 150 | 29.6 Ų | 29.6 | 70% | 0.701 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -66.9 | -33.1 | 177 | -65.7 | 176.4 | 176.5 | 0 | 0 | 112.7 | Q1036 A1037 | Q1036-E1040 PolarHBondContact O-N 3.4Å; A1037-E1040 PolarHBondContact O-N 2.92Å |
| 1041 | S | 86 | Confident | 91.9 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 25% | 0.252 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 13.1 | -180 | 70.2 | 0 | 0 | 0 | 0 | 114.9 | K995 R998 A1037 C1038 L1039 D1043 | K995-S1041 WeakPolarHBondContact CD-O 3.24Å; R998-S1041 PolarHBondContact NH1-OG 3.44Å; A1037-S1041 WeakPolarHBondContact O-CB 3.33Å; A1037-S1041 PolarHBondContact O-N 2.87Å; A1037-S1041 PolarHBondContact O-OG 2.76Å; C1038-S1041 PolarHBondContact O-OG 3.31Å; L1039-S1041 VanDerWaalsContact C-N 3.32Å; L1039-S1041 PolarHBondContact O-N 3.25Å; S1041-D1043 VanDerWaalsContact C-N 3.34Å; S1041-D1043 PolarHBondContact O-N 2.93Å |
| 1042 | D | 90 | Very high | 92.1 | Very high | 64 Ų | 64 | 28.3 Ų | 28.3 | 34% | 0.342 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 44.2 | -178.7 | -166.4 | 38.2 | 0 | 0 | 0 | 113.1 | C1038 L1039 P1044 I1088 R1090 F1096 | C1038-D1042 PolarHBondContact O-N 2.77Å; L1039-D1042 PolarHBondContact O-N 3.35Å; D1042-P1044 VanDerWaalsContact O-CD 3.31Å; D1042-P1044 WeakPolarHBondContact O-CD 3.38Å; D1042-I1088 HydrophobicContact CB-CG2 4.23Å; D1042-R1090 IonicContact OD1-CZ 3.43Å; D1042-R1090 IonicContact OD1-NE 3.16Å; D1042-R1090 IonicContact OD1-NH2 2.96Å; D1042-R1090 PolarHBondContact OD1-NH2 3.03Å; D1042-R1090 IonicContact OD2-CZ 2.86Å; D1042-R1090 IonicContact OD2-NH2 3.71Å; D1042-R1090 PolarHBondContact OD2-NH2 2.74Å; D1042-F1096 WeakPolarHBondContact OD1-CE2 3.4Å |
| 1043 | D | 91.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | trans | -112.3 | 85.1 | 174.8 | -176.5 | 16.5 | 0 | 0 | 0 | 112.3 | K995 R999 C1038 S1041 T1045 G1046 L1047 | K995-D1043 HydrophobicContact CD-CB 3.91Å; K995-D1043 HydrophobicContact CG-CB 3.75Å; R999-D1043 WeakPolarHBondContact CB-OD2 3.47Å; R999-D1043 IonicContact NH1-OD1 3.89Å; C1038-D1043 HydrophobicContact CB-CB 4.35Å; C1038-D1043 PolarHBondContact O-N 2.9Å; S1041-D1043 VanDerWaalsContact C-N 3.34Å; S1041-D1043 PolarHBondContact O-N 2.93Å; D1043-T1045 PolarHBondContact O-N 2.87Å; D1043-T1045 PolarHBondContact OD1-N 2.93Å; D1043-G1046 VanDerWaalsContact CG-N 3.3Å; D1043-G1046 PolarHBondContact O-N 3.39Å; D1043-G1046 PolarHBondContact OD1-N 2.92Å; D1043-G1046 VanDerWaalsContact OD1-N 3.07Å; D1043-G1046 VanDerWaalsContact OD2-CA 3.3Å; D1043-G1046 WeakPolarHBondContact OD2-CA 3.41Å; D1043-G1046 PolarHBondContact OD2-N 3.24Å; D1043-L1047 VanDerWaalsContact O-CB 3.32Å; D1043-L1047 WeakPolarHBondContact O-CB 3.45Å; D1043-L1047 PolarHBondContact O-N 2.91Å | ||
| 1044 | P | 92.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.1 | -23.5 | 179.3 | 26.6 | -34.6 | 0 | 0 | 0 | 112.8 | D1042 R1048 Q1095 F1096 | D1042-P1044 VanDerWaalsContact O-CD 3.31Å; D1042-P1044 WeakPolarHBondContact O-CD 3.38Å; P1044-R1048 VanDerWaalsContact O-CB 3.26Å; P1044-R1048 WeakPolarHBondContact O-CB 3.43Å; P1044-R1048 PolarHBondContact O-N 2.94Å; P1044-Q1095 HydrophobicContact CB-CB 3.69Å; P1044-Q1095 HydrophobicContact CG-CB 3.63Å; P1044-Q1095 HydrophobicContact CG-CG 4.49Å; P1044-F1096 HydrophobicContact CB-CD1 3.98Å; P1044-F1096 HydrophobicContact CB-CD2 3.88Å; P1044-F1096 HydrophobicContact CB-CE1 4.01Å; P1044-F1096 HydrophobicContact CB-CE2 3.91Å; P1044-F1096 HydrophobicContact CB-CG 3.93Å; P1044-F1096 HydrophobicContact CB-CZ 3.98Å; P1044-F1096 HydrophobicContact CG-CD2 4.14Å; P1044-F1096 HydrophobicContact CG-CE2 3.95Å; P1044-F1096 HydrophobicContact CG-CZ 4.31Å |
| 1045 | T | 92.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 26.2 Ų | 26.2 | 30% | 0.301 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -76 | -46.4 | 179.9 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | D1043 R1048 S1049 | D1043-T1045 PolarHBondContact O-N 2.87Å; D1043-T1045 PolarHBondContact OD1-N 2.93Å; T1045-R1048 PolarHBondContact O-N 3.4Å; T1045-S1049 PolarHBondContact O-N 3.41Å |
| 1046 | G | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | L1002 D1043 R1048 S1049 G1050 | L1002-G1046 WeakPolarHBondContact CD1-O 3.4Å; D1043-G1046 VanDerWaalsContact CG-N 3.3Å; D1043-G1046 PolarHBondContact O-N 3.39Å; D1043-G1046 PolarHBondContact OD1-N 2.92Å; D1043-G1046 VanDerWaalsContact OD1-N 3.07Å; D1043-G1046 VanDerWaalsContact OD2-CA 3.3Å; D1043-G1046 WeakPolarHBondContact OD2-CA 3.41Å; D1043-G1046 PolarHBondContact OD2-N 3.24Å; G1046-R1048 PolarHBondContact O-N 3.11Å; G1046-S1049 PolarHBondContact O-N 3Å; G1046-G1050 PolarHBondContact O-N 3.24Å |
| 1047 | L | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54 | -51.2 | 174.2 | 175.3 | 57.7 | 0 | 0 | 0 | 111.1 | V1035 C1038 L1039 D1043 S1049 G1050 I1051 F1079 F1089 F1096 A1099 | V1035-L1047 HydrophobicContact CG1-CD1 3.62Å; C1038-L1047 HydrophobicContact CB-CB 4.06Å; L1039-L1047 HydrophobicContact CB-CD2 4.46Å; L1039-L1047 HydrophobicContact CD1-CD2 4.16Å; D1043-L1047 VanDerWaalsContact O-CB 3.32Å; D1043-L1047 WeakPolarHBondContact O-CB 3.45Å; D1043-L1047 PolarHBondContact O-N 2.91Å; L1047-S1049 PolarHBondContact O-N 3.43Å; L1047-G1050 PolarHBondContact O-N 2.8Å; L1047-I1051 HydrophobicContact CD1-CD1 3.75Å; L1047-I1051 HydrophobicContact CD1-CG1 4.24Å; L1047-I1051 HydrophobicContact CG-CD1 3.72Å; L1047-I1051 WeakPolarHBondContact O-CD1 3.39Å; L1047-I1051 VanDerWaalsContact O-CG1 3.29Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.41Å; L1047-I1051 PolarHBondContact O-N 3.29Å; L1047-F1079 HydrophobicContact CD1-CE1 4.07Å; L1047-F1079 HydrophobicContact CD1-CZ 3.6Å; L1047-F1089 HydrophobicContact CD2-CD2 4.31Å; L1047-F1089 HydrophobicContact CD2-CE2 3.9Å; L1047-F1096 HydrophobicContact CD2-CD1 4.41Å; L1047-F1096 HydrophobicContact CD2-CE1 4.13Å; L1047-A1099 HydrophobicContact CD2-CB 4.33Å; L1047-A1099 HydrophobicContact CG-CB 4.39Å |
| 1048 | R | 94.4 | Very high | 91.4 | Very high | 76 Ų | 76 | 24.4 Ų | 24.4 | 29% | 0.287 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 178.3 | -178 | 179.3 | 168 | -168.6 | -1.6 | 112.9 | P1044 T1045 G1046 G1050 I1051 I1052 A1099 K1102 | P1044-R1048 VanDerWaalsContact O-CB 3.26Å; P1044-R1048 WeakPolarHBondContact O-CB 3.43Å; P1044-R1048 PolarHBondContact O-N 2.94Å; T1045-R1048 PolarHBondContact O-N 3.4Å; G1046-R1048 PolarHBondContact O-N 3.11Å; R1048-G1050 VanDerWaalsContact C-N 3.33Å; R1048-G1050 PolarHBondContact O-N 2.97Å; R1048-I1051 PolarHBondContact O-N 2.86Å; R1048-I1052 HydrophobicContact CG-CD1 3.92Å; R1048-I1052 HydrophobicContact CG-CG1 4.43Å; R1048-I1052 VanDerWaalsContact O-CG1 3.28Å; R1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; R1048-I1052 PolarHBondContact O-N 2.95Å; R1048-A1099 HydrophobicContact CB-CB 4.18Å; R1048-K1102 HydrophobicContact CG-CG 4.46Å |
| 1049 | S | 92.7 | Very high | 91.2 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 8% | 0.077 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 176 | -85.7 | 0 | 0 | 0 | 0 | 112.2 | Q1003 Q1006 T1045 G1046 L1047 I1052 L1053 | Q1003-S1049 VanDerWaalsContact CG-OG 3.24Å; Q1003-S1049 WeakPolarHBondContact CG-OG 3.42Å; Q1006-S1049 VanDerWaalsContact OE1-CA 3.32Å; Q1006-S1049 PolarHBondContact OE1-O 2.88Å; Q1006-S1049 PolarHBondContact OE1-OG 3.47Å; T1045-S1049 PolarHBondContact O-N 3.41Å; G1046-S1049 PolarHBondContact O-N 3Å; L1047-S1049 PolarHBondContact O-N 3.43Å; S1049-I1052 PolarHBondContact O-N 3.11Å; S1049-L1053 PolarHBondContact O-N 2.96Å |
| 1050 | G | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1035 G1046 L1047 R1048 I1052 L1053 F1054 | V1035-G1050 VanDerWaalsContact CG2-CA 3.5Å; G1046-G1050 PolarHBondContact O-N 3.24Å; L1047-G1050 PolarHBondContact O-N 2.8Å; R1048-G1050 VanDerWaalsContact C-N 3.33Å; R1048-G1050 PolarHBondContact O-N 2.97Å; G1050-I1052 VanDerWaalsContact C-N 3.33Å; G1050-I1052 PolarHBondContact O-N 3.4Å; G1050-L1053 WeakPolarHBondContact O-CB 3.32Å; G1050-L1053 PolarHBondContact O-N 3.49Å; G1050-F1054 VanDerWaalsContact O-CD2 3.23Å; G1050-F1054 WeakPolarHBondContact O-CD2 3.32Å; G1050-F1054 PolarHBondContact O-N 3.3Å; G1050-F1054 VanDerWaalsContact O-N 3.08Å |
| 1051 | I | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.2 | -63.9 | 154.5 | 0 | 0 | 0 | 111 | L1047 R1048 F1054 L1055 F1080 A1099 K1102 I1103 | L1047-I1051 HydrophobicContact CD1-CD1 3.75Å; L1047-I1051 HydrophobicContact CD1-CG1 4.24Å; L1047-I1051 HydrophobicContact CG-CD1 3.72Å; L1047-I1051 WeakPolarHBondContact O-CD1 3.39Å; L1047-I1051 VanDerWaalsContact O-CG1 3.29Å; L1047-I1051 WeakPolarHBondContact O-CG1 3.41Å; L1047-I1051 PolarHBondContact O-N 3.29Å; R1048-I1051 PolarHBondContact O-N 2.86Å; I1051-F1054 PolarHBondContact O-N 2.92Å; I1051-L1055 WeakPolarHBondContact O-CB 3.46Å; I1051-L1055 PolarHBondContact O-N 3.34Å; I1051-F1080 HydrophobicContact CG1-CE1 3.97Å; I1051-F1080 HydrophobicContact CG2-CE1 4.22Å; I1051-F1080 HydrophobicContact CG2-CZ 4.05Å; I1051-A1099 HydrophobicContact CD1-CB 4.13Å; I1051-K1102 HydrophobicContact CG2-CB 3.71Å; I1051-I1103 HydrophobicContact CD1-CD1 3.91Å; I1051-I1103 HydrophobicContact CD1-CG1 3.61Å; I1051-I1103 HydrophobicContact CG1-CG1 4.11Å; I1051-I1103 HydrophobicContact CG2-CG1 4.14Å |
| 1052 | I | 93.3 | Very high | 90.1 | Very high | 28 Ų | 28 | 23.5 Ų | 23.5 | 14% | 0.144 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 177 | -69.5 | 166.6 | 0 | 0 | 0 | 111.2 | Q1006 R1048 S1049 G1050 F1054 L1055 Q1056 K1102 | Q1006-I1052 HydrophobicContact CG-CG2 4.3Å; R1048-I1052 HydrophobicContact CG-CD1 3.92Å; R1048-I1052 HydrophobicContact CG-CG1 4.43Å; R1048-I1052 VanDerWaalsContact O-CG1 3.28Å; R1048-I1052 WeakPolarHBondContact O-CG1 3.37Å; R1048-I1052 PolarHBondContact O-N 2.95Å; S1049-I1052 PolarHBondContact O-N 3.11Å; G1050-I1052 VanDerWaalsContact C-N 3.33Å; G1050-I1052 PolarHBondContact O-N 3.4Å; I1052-F1054 VanDerWaalsContact C-N 3.33Å; I1052-F1054 PolarHBondContact O-N 2.81Å; I1052-L1055 WeakPolarHBondContact O-CB 3.36Å; I1052-L1055 PolarHBondContact O-N 3Å; I1052-Q1056 VanDerWaalsContact O-CG 3.29Å; I1052-Q1056 WeakPolarHBondContact O-CG 3.41Å; I1052-Q1056 PolarHBondContact O-N 3.41Å; I1052-K1102 HydrophobicContact CG1-CD 4.24Å; I1052-K1102 HydrophobicContact CG1-CG 4.23Å |
| 1053 | L | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.7 | -47.1 | 173.6 | 170.1 | 65.9 | 0 | 0 | 0 | 110.9 | V1005 Q1006 Y1009 F1016 V1031 S1049 G1050 Q1056 L1057 | V1005-L1053 HydrophobicContact CB-CD2 4.34Å; V1005-L1053 HydrophobicContact CG1-CD1 4.42Å; V1005-L1053 HydrophobicContact CG1-CD2 3.5Å; Q1006-L1053 HydrophobicContact CB-CB 4.24Å; Q1006-L1053 HydrophobicContact CG-CB 4.31Å; Y1009-L1053 HydrophobicContact CD1-CD1 4.12Å; Y1009-L1053 HydrophobicContact CG-CD1 3.96Å; F1016-L1053 HydrophobicContact CZ-CD1 4.01Å; V1031-L1053 HydrophobicContact CG1-CD2 3.74Å; S1049-L1053 PolarHBondContact O-N 2.96Å; G1050-L1053 WeakPolarHBondContact O-CB 3.32Å; G1050-L1053 PolarHBondContact O-N 3.49Å; L1053-Q1056 PolarHBondContact O-N 2.94Å; L1053-L1057 HydrophobicContact CD1-CD1 4.39Å; L1053-L1057 HydrophobicContact CG-CD1 4.28Å; L1053-L1057 PolarHBondContact O-N 3.39Å |
| 1054 | F | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -36.4 | 178 | -74.8 | -58.6 | 0 | 0 | 0 | 113.5 | L1028 V1031 L1032 V1035 G1050 I1051 I1052 Q1056 L1057 I1058 F1071 L1076 F1080 | L1028-F1054 HydrophobicContact CD2-CE1 4.48Å; V1031-F1054 HydrophobicContact CB-CZ 4.34Å; V1031-F1054 HydrophobicContact CG1-CE2 4.24Å; V1031-F1054 HydrophobicContact CG1-CZ 3.94Å; L1032-F1054 HydrophobicContact CB-CE2 4.14Å; L1032-F1054 HydrophobicContact CB-CZ 3.8Å; L1032-F1054 HydrophobicContact CD1-CE2 3.82Å; L1032-F1054 HydrophobicContact CD1-CZ 4.21Å; V1035-F1054 HydrophobicContact CG2-CD2 4.42Å; V1035-F1054 HydrophobicContact CG2-CE2 3.83Å; G1050-F1054 VanDerWaalsContact O-CD2 3.23Å; G1050-F1054 WeakPolarHBondContact O-CD2 3.32Å; G1050-F1054 PolarHBondContact O-N 3.3Å; G1050-F1054 VanDerWaalsContact O-N 3.08Å; I1051-F1054 PolarHBondContact O-N 2.92Å; I1052-F1054 VanDerWaalsContact C-N 3.33Å; I1052-F1054 PolarHBondContact O-N 2.81Å; F1054-Q1056 VanDerWaalsContact C-N 3.27Å; F1054-Q1056 PolarHBondContact O-N 3.1Å; F1054-L1057 HydrophobicContact CD1-CD1 3.89Å; F1054-L1057 HydrophobicContact CE1-CD1 4.22Å; F1054-L1057 WeakPolarHBondContact O-CB 3.39Å; F1054-L1057 PolarHBondContact O-N 3.19Å; F1054-I1058 VanDerWaalsContact O-CG1 3.26Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.48Å; F1054-I1058 PolarHBondContact O-N 3.21Å; F1054-F1071 HydrophobicContact CD1-CE1 4.14Å; F1054-F1071 AromaticContact CE1-CE1 3.62Å; F1054-F1071 HydrophobicContact CE1-CE1 3.62Å; F1054-F1071 AromaticContact CE1-CZ 3.67Å; F1054-F1071 HydrophobicContact CE1-CZ 3.67Å; F1054-F1071 HydrophobicContact CZ-CE1 4.43Å; F1054-F1071 HydrophobicContact CZ-CZ 4.08Å; F1054-L1076 HydrophobicContact CB-CD1 3.99Å; F1054-L1076 HydrophobicContact CB-CD2 3.97Å; F1054-L1076 HydrophobicContact CD1-CD1 3.98Å; F1054-L1076 HydrophobicContact CD1-CD2 4.24Å; F1054-L1076 HydrophobicContact CD2-CD1 3.67Å; F1054-L1076 HydrophobicContact CE1-CD1 4.41Å; F1054-L1076 HydrophobicContact CE2-CD1 4.11Å; F1054-L1076 HydrophobicContact CG-CD1 3.6Å; F1054-L1076 HydrophobicContact CG-CD2 4.19Å; F1054-L1076 HydrophobicContact CZ-CD1 4.47Å; F1054-F1080 HydrophobicContact CB-CZ 4.12Å |
| 1055 | L | 92.7 | Very high | 88.6 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 171.7 | 174.9 | 61.3 | 0 | 0 | 0 | 110.9 | I1051 I1052 I1058 Q1059 K1102 E1105 S1106 V1109 | I1051-L1055 WeakPolarHBondContact O-CB 3.46Å; I1051-L1055 PolarHBondContact O-N 3.34Å; I1052-L1055 WeakPolarHBondContact O-CB 3.36Å; I1052-L1055 PolarHBondContact O-N 3Å; L1055-I1058 PolarHBondContact O-N 3.03Å; L1055-Q1059 HydrophobicContact CD1-CG 4.48Å; L1055-Q1059 WeakPolarHBondContact O-CB 3.47Å; L1055-Q1059 VanDerWaalsContact O-CG 3.28Å; L1055-Q1059 WeakPolarHBondContact O-CG 3.38Å; L1055-Q1059 PolarHBondContact O-N 3.4Å; L1055-K1102 HydrophobicContact CD2-CD 4.32Å; L1055-E1105 HydrophobicContact CD1-CG 4.14Å; L1055-E1105 HydrophobicContact CD2-CG 4.03Å; L1055-S1106 WeakPolarHBondContact CB-OG 3.33Å; L1055-V1109 HydrophobicContact CD1-CB 4.26Å; L1055-V1109 HydrophobicContact CD1-CG2 4.12Å |
| 1056 | Q | 89.2 | Confident | 88.1 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.7 | -36.6 | 179.6 | -67.6 | 177.8 | -42.2 | 0 | 0 | 112.2 | Y1009 Q1010 I1052 L1053 F1054 Q1059 S1060 | Y1009-Q1056 HydrophobicContact CD1-CB 3.78Å; Y1009-Q1056 HydrophobicContact CE1-CB 3.61Å; Q1010-Q1056 VanDerWaalsContact CG-NE2 3.29Å; Q1010-Q1056 VanDerWaalsContact NE2-CD 3.29Å; I1052-Q1056 VanDerWaalsContact O-CG 3.29Å; I1052-Q1056 WeakPolarHBondContact O-CG 3.41Å; I1052-Q1056 PolarHBondContact O-N 3.41Å; L1053-Q1056 PolarHBondContact O-N 2.94Å; F1054-Q1056 VanDerWaalsContact C-N 3.27Å; F1054-Q1056 PolarHBondContact O-N 3.1Å; Q1056-Q1059 PolarHBondContact O-N 3.44Å; Q1056-S1060 PolarHBondContact O-N 3.09Å; Q1056-S1060 VanDerWaalsContact O-N 3.13Å; Q1056-S1060 PolarHBondContact O-OG 3.29Å |
| 1057 | L | 87.1 | Confident | 87.7 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 170.7 | -82.6 | 167.9 | 0 | 0 | 0 | 112.5 | Y1009 F1016 L1028 L1053 F1054 Q1059 S1060 A1061 | Y1009-L1057 HydrophobicContact CE1-CD2 4.47Å; Y1009-L1057 HydrophobicContact CE1-CG 4.36Å; Y1009-L1057 HydrophobicContact CE2-CD2 4.02Å; F1016-L1057 HydrophobicContact CE1-CD1 4.43Å; F1016-L1057 HydrophobicContact CE1-CD2 4.02Å; L1028-L1057 HydrophobicContact CD2-CD1 3.72Å; L1053-L1057 HydrophobicContact CD1-CD1 4.39Å; L1053-L1057 HydrophobicContact CG-CD1 4.28Å; L1053-L1057 PolarHBondContact O-N 3.39Å; F1054-L1057 HydrophobicContact CD1-CD1 3.89Å; F1054-L1057 HydrophobicContact CE1-CD1 4.22Å; F1054-L1057 WeakPolarHBondContact O-CB 3.39Å; F1054-L1057 PolarHBondContact O-N 3.19Å; L1057-Q1059 VanDerWaalsContact C-N 3.33Å; L1057-S1060 PolarHBondContact O-N 3.25Å; L1057-S1060 PolarHBondContact O-OG 2.99Å; L1057-S1060 VanDerWaalsContact O-OG 3.08Å; L1057-A1061 WeakPolarHBondContact O-CB 3.29Å; L1057-A1061 PolarHBondContact O-N 3.39Å |
| 1058 | I | 88.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 173.7 | -67.8 | 164.9 | 0 | 0 | 0 | 109.8 | F1054 L1055 S1060 A1062 L1072 L1076 F1080 V1109 L1110 K1113 | F1054-I1058 VanDerWaalsContact O-CG1 3.26Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.48Å; F1054-I1058 PolarHBondContact O-N 3.21Å; L1055-I1058 PolarHBondContact O-N 3.03Å; I1058-S1060 PolarHBondContact O-N 3Å; I1058-A1062 HydrophobicContact CG2-CB 4.03Å; I1058-A1062 WeakPolarHBondContact O-CB 3.48Å; I1058-A1062 PolarHBondContact O-N 2.81Å; I1058-L1072 HydrophobicContact CG1-CD1 4.48Å; I1058-L1072 HydrophobicContact CG1-CD2 3.94Å; I1058-L1076 HydrophobicContact CD1-CD2 3.83Å; I1058-L1076 HydrophobicContact CG1-CD2 4.32Å; I1058-F1080 HydrophobicContact CD1-CE2 4.41Å; I1058-V1109 HydrophobicContact CG2-CG1 4.04Å; I1058-L1110 HydrophobicContact CG1-CD1 4.49Å; I1058-L1110 HydrophobicContact CG2-CB 3.99Å; I1058-L1110 HydrophobicContact CG2-CD1 3.88Å; I1058-K1113 WeakPolarHBondContact O-CD 3.31Å |
| 1059 | Q | 87.9 | Confident | 86.9 | Confident | 88 Ų | 88 | 41.8 Ų | 41.8 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -22.2 | 179.3 | -76.4 | 174.8 | -14.2 | 0 | 0 | 114.1 | L1055 Q1056 L1057 V1109 K1113 | L1055-Q1059 HydrophobicContact CD1-CG 4.48Å; L1055-Q1059 WeakPolarHBondContact O-CB 3.47Å; L1055-Q1059 VanDerWaalsContact O-CG 3.28Å; L1055-Q1059 WeakPolarHBondContact O-CG 3.38Å; L1055-Q1059 PolarHBondContact O-N 3.4Å; Q1056-Q1059 PolarHBondContact O-N 3.44Å; L1057-Q1059 VanDerWaalsContact C-N 3.33Å; Q1059-V1109 HydrophobicContact CG-CG1 3.84Å; Q1059-K1113 WeakPolarHBondContact O-CE 3.29Å; Q1059-K1113 PolarHBondContact O-NZ 3.43Å |
| 1060 | S | 83.5 | Confident | 86.5 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 43% | 0.427 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -104.4 | -43.7 | 179.2 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | Y1009 Q1056 L1057 I1058 | Y1009-S1060 WeakPolarHBondContact OH-CB 3.42Å; Y1009-S1060 PolarHBondContact OH-OG 2.98Å; Q1056-S1060 PolarHBondContact O-N 3.09Å; Q1056-S1060 VanDerWaalsContact O-N 3.13Å; Q1056-S1060 PolarHBondContact O-OG 3.29Å; L1057-S1060 PolarHBondContact O-N 3.25Å; L1057-S1060 PolarHBondContact O-OG 2.99Å; L1057-S1060 VanDerWaalsContact O-OG 3.08Å; I1058-S1060 PolarHBondContact O-N 3Å |
| 1061 | A | 81.8 | Confident | 86.3 | Confident | 32 Ų | 32 | 44.7 Ų | 44.7 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -115 | -3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1057 H1063 N1064 F1067 | L1057-A1061 WeakPolarHBondContact O-CB 3.29Å; L1057-A1061 PolarHBondContact O-N 3.39Å; A1061-H1063 PolarHBondContact O-N 3.47Å; A1061-N1064 WeakPolarHBondContact O-CB 3.24Å; A1061-N1064 PolarHBondContact O-N 2.81Å; A1061-F1067 HydrophobicContact CB-CD1 3.95Å; A1061-F1067 HydrophobicContact CB-CE1 4.09Å |
| 1062 | A | 78.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1058 N1064 L1072 L1110 K1113 Q1114 | I1058-A1062 HydrophobicContact CG2-CB 4.03Å; I1058-A1062 WeakPolarHBondContact O-CB 3.48Å; I1058-A1062 PolarHBondContact O-N 2.81Å; A1062-N1064 VanDerWaalsContact C-N 3.3Å; A1062-L1072 HydrophobicContact CB-CD1 4.2Å; A1062-L1110 HydrophobicContact CB-CD1 4.15Å; A1062-K1113 HydrophobicContact CB-CB 4.27Å; A1062-K1113 HydrophobicContact CB-CD 3.9Å; A1062-Q1114 WeakPolarHBondContact O-CG 3.4Å; A1062-Q1114 PolarHBondContact O-NE2 3.49Å |
| 1063 | H | 80.1 | Confident | 85.8 | Confident | 121 Ų | 121 | 44.6 Ų | 44.6 | 56% | 0.56 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19.8 | 173.4 | -54.7 | -61.9 | 0 | 0 | 0 | 113.2 | A1061 L1065 K1113 | A1061-H1063 PolarHBondContact O-N 3.47Å; H1063-L1065 PolarHBondContact O-N 3.22Å; H1063-K1113 PolarHBondContact NE2-NZ 3.23Å |
| 1064 | N | 81.6 | Confident | 85.7 | Confident | 87 Ų | 87 | 47.2 Ų | 47.2 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | trans | -76.2 | 107.8 | 175.9 | -176.7 | -19.9 | 0 | 0 | 0 | 109.3 | A1061 A1062 Q1066 F1067 Y1068 | A1061-N1064 WeakPolarHBondContact O-CB 3.24Å; A1061-N1064 PolarHBondContact O-N 2.81Å; A1062-N1064 VanDerWaalsContact C-N 3.3Å; N1064-Q1066 VanDerWaalsContact C-N 3.26Å; N1064-Q1066 PolarHBondContact O-N 3.18Å; N1064-Q1066 WeakPolarHBondContact OD1-CB 3.43Å; N1064-Q1066 PolarHBondContact OD1-N 3.03Å; N1064-Q1066 VanDerWaalsContact OD1-N 3.08Å; N1064-F1067 HydrophobicContact CB-CB 4.05Å; N1064-F1067 PolarHBondContact O-N 3.49Å; N1064-F1067 PolarHBondContact OD1-N 3.07Å; N1064-Y1068 WeakPolarHBondContact O-CB 3.14Å; N1064-Y1068 PolarHBondContact O-N 3.18Å | ||
| 1065 | L | 80.2 | Confident | 85.6 | Confident | 105 Ų | 105 | 51.3 Ų | 51.3 | 55% | 0.55 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.6 | -38.7 | -177 | -122.3 | 113.5 | 0 | 0 | 0 | 112.6 | H1063 Y1068 E1069 | H1063-L1065 PolarHBondContact O-N 3.22Å; L1065-Y1068 WeakPolarHBondContact O-CB 3.41Å; L1065-Y1068 PolarHBondContact O-N 3.2Å; L1065-E1069 PolarHBondContact O-N 3.17Å |
| 1066 | Q | 81.8 | Confident | 85.5 | Confident | 132 Ų | 132 | 51 Ų | 51 | 62% | 0.617 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 179.7 | -172.2 | 174.2 | 2.9 | 0 | 0 | 111 | N1064 Y1068 E1069 D1070 | N1064-Q1066 VanDerWaalsContact C-N 3.26Å; N1064-Q1066 PolarHBondContact O-N 3.18Å; N1064-Q1066 WeakPolarHBondContact OD1-CB 3.43Å; N1064-Q1066 PolarHBondContact OD1-N 3.03Å; N1064-Q1066 VanDerWaalsContact OD1-N 3.08Å; Q1066-Y1068 VanDerWaalsContact C-N 3.27Å; Q1066-Y1068 PolarHBondContact O-N 3.43Å; Q1066-E1069 PolarHBondContact O-N 2.91Å; Q1066-D1070 WeakPolarHBondContact CG-OD2 3.43Å; Q1066-D1070 PolarHBondContact NE2-OD2 3.23Å; Q1066-D1070 WeakPolarHBondContact O-CB 3.47Å; Q1066-D1070 VanDerWaalsContact O-CG 3.26Å; Q1066-D1070 PolarHBondContact O-N 3.39Å |
| 1067 | F | 83.8 | Confident | 85.7 | Confident | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -35.4 | 174.9 | 179.4 | -121.3 | 0 | 0 | 0 | 112.4 | L1028 A1061 N1064 F1071 L1072 | L1028-F1067 HydrophobicContact CD1-CD2 4.37Å; L1028-F1067 HydrophobicContact CD1-CE2 3.39Å; L1028-F1067 HydrophobicContact CD1-CZ 3.92Å; A1061-F1067 HydrophobicContact CB-CD1 3.95Å; A1061-F1067 HydrophobicContact CB-CE1 4.09Å; N1064-F1067 HydrophobicContact CB-CB 4.05Å; N1064-F1067 PolarHBondContact O-N 3.49Å; N1064-F1067 PolarHBondContact OD1-N 3.07Å; F1067-F1071 HydrophobicContact CD2-CB 4.02Å; F1067-F1071 HydrophobicContact CD2-CD1 4.4Å; F1067-F1071 HydrophobicContact CE2-CB 3.9Å; F1067-F1071 AromaticContact CE2-CD1 3.46Å; F1067-F1071 HydrophobicContact CE2-CD1 3.46Å; F1067-F1071 VanDerWaalsContact CE2-CD1 3.46Å; F1067-F1071 HydrophobicContact CE2-CE1 4.31Å; F1067-F1071 AromaticContact CE2-CG 3.93Å; F1067-F1071 HydrophobicContact CE2-CG 3.93Å; F1067-F1071 AromaticContact CZ-CD1 3.81Å; F1067-F1071 HydrophobicContact CZ-CD1 3.81Å; F1067-F1071 HydrophobicContact CZ-CE1 4.42Å; F1067-F1071 PolarHBondContact O-N 3Å; F1067-L1072 HydrophobicContact CD1-CD1 3.85Å; F1067-L1072 HydrophobicContact CD1-CG 4.04Å; F1067-L1072 HydrophobicContact CE1-CD1 3.73Å; F1067-L1072 HydrophobicContact CE1-CD2 3.73Å; F1067-L1072 HydrophobicContact CE1-CG 3.73Å; F1067-L1072 HydrophobicContact CZ-CD2 3.79Å; F1067-L1072 HydrophobicContact CZ-CG 4.06Å; F1067-L1072 PolarHBondContact O-N 3.26Å; F1067-L1072 VanDerWaalsContact O-N 3.16Å |
| 1068 | Y | 84.6 | Confident | 85.9 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -66.5 | -47.1 | 178.4 | -178.9 | -102.8 | 0 | 0 | 0 | 112.5 | N1064 L1065 Q1066 L1072 L1073 L1110 Q1114 G1116 L1117 | N1064-Y1068 WeakPolarHBondContact O-CB 3.14Å; N1064-Y1068 PolarHBondContact O-N 3.18Å; L1065-Y1068 WeakPolarHBondContact O-CB 3.41Å; L1065-Y1068 PolarHBondContact O-N 3.2Å; Q1066-Y1068 VanDerWaalsContact C-N 3.27Å; Q1066-Y1068 PolarHBondContact O-N 3.43Å; Y1068-L1072 HydrophobicContact CD2-CB 4.31Å; Y1068-L1072 HydrophobicContact CD2-CD1 4.02Å; Y1068-L1072 PolarHBondContact O-N 2.92Å; Y1068-L1073 HydrophobicContact CD1-CD1 4.02Å; Y1068-L1073 HydrophobicContact CD1-CG 4.32Å; Y1068-L1073 HydrophobicContact CE1-CD1 3.47Å; Y1068-L1073 VanDerWaalsContact CE1-CD1 3.47Å; Y1068-L1073 HydrophobicContact CE1-CD2 4.38Å; Y1068-L1073 HydrophobicContact CE1-CG 3.88Å; Y1068-L1073 HydrophobicContact CE2-CD2 4.32Å; Y1068-L1073 HydrophobicContact CE2-CG 4.25Å; Y1068-L1073 PolarHBondContact O-N 3.36Å; Y1068-L1110 HydrophobicContact CD2-CD1 4.04Å; Y1068-L1110 HydrophobicContact CE2-CD1 3.79Å; Y1068-L1110 HydrophobicContact CE2-CG 4.25Å; Y1068-Q1114 HydrophobicContact CD2-CB 4.15Å; Y1068-Q1114 HydrophobicContact CD2-CG 3.81Å; Y1068-Q1114 HydrophobicContact CE1-CB 4.38Å; Y1068-Q1114 HydrophobicContact CE2-CB 3.55Å; Y1068-Q1114 HydrophobicContact CE2-CG 3.75Å; Y1068-Q1114 HydrophobicContact CG-CG 4.28Å; Y1068-G1116 VanDerWaalsContact OH-C 3.25Å; Y1068-L1117 WeakPolarHBondContact OH-CA 3.38Å; Y1068-L1117 PolarHBondContact OH-N 3.28Å |
| 1069 | E | 85.3 | Confident | 86.1 | Confident | 119 Ų | 119 | 50.1 Ų | 50.1 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | I | π-helix | trans | -79.7 | -37.4 | -179.2 | -67.2 | -171.6 | 166.3 | 0 | 0 | 113.3 | L1065 Q1066 P1074 | L1065-E1069 PolarHBondContact O-N 3.17Å; Q1066-E1069 PolarHBondContact O-N 2.91Å; E1069-P1074 WeakPolarHBondContact O-CD 3.46Å; E1069-P1074 WeakPolarHBondContact O-CG 3.38Å |
| 1070 | D | 85.9 | Confident | 86.4 | Confident | 73 Ų | 73 | 46 Ų | 46 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -82.8 | -25.1 | -174.8 | -65.9 | -15.5 | 0 | 0 | 0 | 113.2 | V1025 Q1066 P1074 | V1025-D1070 HydrophobicContact CG2-CB 4.32Å; Q1066-D1070 WeakPolarHBondContact CG-OD2 3.43Å; Q1066-D1070 PolarHBondContact NE2-OD2 3.23Å; Q1066-D1070 WeakPolarHBondContact O-CB 3.47Å; Q1066-D1070 VanDerWaalsContact O-CG 3.26Å; Q1066-D1070 PolarHBondContact O-N 3.39Å; D1070-P1074 WeakPolarHBondContact O-CG 3.42Å |
| 1071 | F | 88.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -130.6 | -52.9 | -174.2 | -175.7 | -98.5 | 0 | 0 | 0 | 114.7 | V1025 L1028 L1032 F1054 F1067 H1075 L1076 | V1025-F1071 HydrophobicContact CG1-CD2 4.3Å; L1028-F1071 HydrophobicContact CB-CD2 4.25Å; L1028-F1071 HydrophobicContact CB-CE1 4.04Å; L1028-F1071 HydrophobicContact CB-CE2 3.71Å; L1028-F1071 HydrophobicContact CB-CZ 3.59Å; L1028-F1071 HydrophobicContact CD1-CD1 4.47Å; L1028-F1071 HydrophobicContact CD1-CE1 4.44Å; L1032-F1071 HydrophobicContact CB-CZ 4.28Å; L1032-F1071 HydrophobicContact CD2-CE2 4.43Å; L1032-F1071 HydrophobicContact CD2-CZ 4.23Å; F1054-F1071 HydrophobicContact CD1-CE1 4.14Å; F1054-F1071 AromaticContact CE1-CE1 3.62Å; F1054-F1071 HydrophobicContact CE1-CE1 3.62Å; F1054-F1071 AromaticContact CE1-CZ 3.67Å; F1054-F1071 HydrophobicContact CE1-CZ 3.67Å; F1054-F1071 HydrophobicContact CZ-CE1 4.43Å; F1054-F1071 HydrophobicContact CZ-CZ 4.08Å; F1067-F1071 HydrophobicContact CD2-CB 4.02Å; F1067-F1071 HydrophobicContact CD2-CD1 4.4Å; F1067-F1071 HydrophobicContact CE2-CB 3.9Å; F1067-F1071 AromaticContact CE2-CD1 3.46Å; F1067-F1071 HydrophobicContact CE2-CD1 3.46Å; F1067-F1071 VanDerWaalsContact CE2-CD1 3.46Å; F1067-F1071 HydrophobicContact CE2-CE1 4.31Å; F1067-F1071 AromaticContact CE2-CG 3.93Å; F1067-F1071 HydrophobicContact CE2-CG 3.93Å; F1067-F1071 AromaticContact CZ-CD1 3.81Å; F1067-F1071 HydrophobicContact CZ-CD1 3.81Å; F1067-F1071 HydrophobicContact CZ-CE1 4.42Å; F1067-F1071 PolarHBondContact O-N 3Å; F1071-H1075 HydrophobicContact CD2-CB 4.33Å; F1071-H1075 HydrophobicContact CE2-CB 4.33Å; F1071-H1075 WeakPolarHBondContact O-CB 3.48Å; F1071-H1075 PolarHBondContact O-N 3.41Å; F1071-H1075 VanDerWaalsContact O-N 3.11Å; F1071-L1076 HydrophobicContact CE1-CB 4.47Å; F1071-L1076 PolarHBondContact O-N 3.01Å |
| 1072 | L | 89.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -63.7 | -50.9 | -172.1 | -65.2 | 178 | 0 | 0 | 0 | 112.2 | I1058 A1062 F1067 Y1068 L1076 V1077 L1110 | I1058-L1072 HydrophobicContact CG1-CD1 4.48Å; I1058-L1072 HydrophobicContact CG1-CD2 3.94Å; A1062-L1072 HydrophobicContact CB-CD1 4.2Å; F1067-L1072 HydrophobicContact CD1-CD1 3.85Å; F1067-L1072 HydrophobicContact CD1-CG 4.04Å; F1067-L1072 HydrophobicContact CE1-CD1 3.73Å; F1067-L1072 HydrophobicContact CE1-CD2 3.73Å; F1067-L1072 HydrophobicContact CE1-CG 3.73Å; F1067-L1072 HydrophobicContact CZ-CD2 3.79Å; F1067-L1072 HydrophobicContact CZ-CG 4.06Å; F1067-L1072 PolarHBondContact O-N 3.26Å; F1067-L1072 VanDerWaalsContact O-N 3.16Å; Y1068-L1072 HydrophobicContact CD2-CB 4.31Å; Y1068-L1072 HydrophobicContact CD2-CD1 4.02Å; Y1068-L1072 PolarHBondContact O-N 2.92Å; L1072-L1076 HydrophobicContact CD2-CD2 3.61Å; L1072-L1076 WeakPolarHBondContact O-CB 3.23Å; L1072-L1076 PolarHBondContact O-N 3.26Å; L1072-V1077 WeakPolarHBondContact O-CG2 3.34Å; L1072-V1077 PolarHBondContact O-N 3.38Å; L1072-L1110 HydrophobicContact CD1-CD1 3.95Å |
| 1073 | L | 88.6 | Confident | 87.6 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -69.5 | -47.7 | 179.2 | -72.7 | -178.8 | 0 | 0 | 0 | 114.9 | Y1068 V1077 P1078 L1117 Y1120 | Y1068-L1073 HydrophobicContact CD1-CD1 4.02Å; Y1068-L1073 HydrophobicContact CD1-CG 4.32Å; Y1068-L1073 HydrophobicContact CE1-CD1 3.47Å; Y1068-L1073 VanDerWaalsContact CE1-CD1 3.47Å; Y1068-L1073 HydrophobicContact CE1-CD2 4.38Å; Y1068-L1073 HydrophobicContact CE1-CG 3.88Å; Y1068-L1073 HydrophobicContact CE2-CD2 4.32Å; Y1068-L1073 HydrophobicContact CE2-CG 4.25Å; Y1068-L1073 PolarHBondContact O-N 3.36Å; L1073-V1077 HydrophobicContact CD2-CG2 4.47Å; L1073-P1078 WeakPolarHBondContact O-CD 3.48Å; L1073-L1117 HydrophobicContact CD2-CD1 4.08Å; L1073-Y1120 HydrophobicContact CD2-CD1 3.69Å; L1073-Y1120 HydrophobicContact CD2-CD2 4.42Å; L1073-Y1120 HydrophobicContact CD2-CE1 4.15Å; L1073-Y1120 HydrophobicContact CD2-CG 3.83Å; L1073-Y1120 PolarHBondContact O-OH 3.33Å; L1073-Y1120 VanDerWaalsContact O-OH 3.13Å |
| 1074 | P | 89.1 | Confident | 88.2 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -80.8 | -24.8 | -173.8 | 28.4 | -35.5 | 0 | 0 | 0 | 114.2 | E1069 D1070 | E1069-P1074 WeakPolarHBondContact O-CD 3.46Å; E1069-P1074 WeakPolarHBondContact O-CG 3.38Å; D1070-P1074 WeakPolarHBondContact O-CG 3.42Å |
| 1075 | H | 89.8 | Confident | 88.5 | Confident | 86 Ų | 86 | 38.7 Ų | 38.7 | 40% | 0.398 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -117.3 | -51.1 | -172.9 | -60.5 | -57.8 | 0 | 0 | 0 | 113 | L1032 F1071 | L1032-H1075 HydrophobicContact CD2-CB 3.75Å; F1071-H1075 HydrophobicContact CD2-CB 4.33Å; F1071-H1075 HydrophobicContact CE2-CB 4.33Å; F1071-H1075 WeakPolarHBondContact O-CB 3.48Å; F1071-H1075 PolarHBondContact O-N 3.41Å; F1071-H1075 VanDerWaalsContact O-N 3.11Å |
| 1076 | L | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -76.7 | -48.9 | -172.7 | -171.7 | 69.1 | 0 | 0 | 0 | 113.3 | L1032 F1054 I1058 F1071 L1072 F1079 F1080 | L1032-L1076 HydrophobicContact CD1-CD1 3.83Å; F1054-L1076 HydrophobicContact CB-CD1 3.99Å; F1054-L1076 HydrophobicContact CB-CD2 3.97Å; F1054-L1076 HydrophobicContact CD1-CD1 3.98Å; F1054-L1076 HydrophobicContact CD1-CD2 4.24Å; F1054-L1076 HydrophobicContact CD2-CD1 3.67Å; F1054-L1076 HydrophobicContact CE1-CD1 4.41Å; F1054-L1076 HydrophobicContact CE2-CD1 4.11Å; F1054-L1076 HydrophobicContact CG-CD1 3.6Å; F1054-L1076 HydrophobicContact CG-CD2 4.19Å; F1054-L1076 HydrophobicContact CZ-CD1 4.47Å; I1058-L1076 HydrophobicContact CD1-CD2 3.83Å; I1058-L1076 HydrophobicContact CG1-CD2 4.32Å; F1071-L1076 HydrophobicContact CE1-CB 4.47Å; F1071-L1076 PolarHBondContact O-N 3.01Å; L1072-L1076 HydrophobicContact CD2-CD2 3.61Å; L1072-L1076 WeakPolarHBondContact O-CB 3.23Å; L1072-L1076 PolarHBondContact O-N 3.26Å; L1076-F1079 PolarHBondContact O-N 3.37Å; L1076-F1080 HydrophobicContact CD1-CD1 4.32Å; L1076-F1080 HydrophobicContact CD1-CE1 3.69Å; L1076-F1080 HydrophobicContact CD1-CE2 4.08Å; L1076-F1080 HydrophobicContact CD1-CZ 3.57Å; L1076-F1080 HydrophobicContact CD2-CE2 3.89Å; L1076-F1080 HydrophobicContact CD2-CZ 4.08Å; L1076-F1080 HydrophobicContact CG-CD2 4.22Å; L1076-F1080 HydrophobicContact CG-CE1 4.24Å; L1076-F1080 HydrophobicContact CG-CE2 3.81Å; L1076-F1080 HydrophobicContact CG-CZ 3.84Å; L1076-F1080 PolarHBondContact O-N 3.27Å |
| 1077 | V | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | -178.5 | 170.1 | 0 | 0 | 0 | 0 | 112.3 | L1072 L1073 F1079 F1080 I1081 L1107 L1110 L1117 Y1120 L1121 | L1072-V1077 WeakPolarHBondContact O-CG2 3.34Å; L1072-V1077 PolarHBondContact O-N 3.38Å; L1073-V1077 HydrophobicContact CD2-CG2 4.47Å; V1077-F1079 VanDerWaalsContact C-N 3.32Å; V1077-F1079 PolarHBondContact O-N 2.88Å; V1077-F1080 PolarHBondContact O-N 3.32Å; V1077-I1081 HydrophobicContact CG1-CD1 4.05Å; V1077-I1081 PolarHBondContact O-N 3.19Å; V1077-I1081 VanDerWaalsContact O-N 3.15Å; V1077-L1107 HydrophobicContact CG1-CD2 4.45Å; V1077-L1107 HydrophobicContact CG2-CD2 4.46Å; V1077-L1110 HydrophobicContact CG2-CD2 3.59Å; V1077-L1117 HydrophobicContact CG1-CD1 4.03Å; V1077-L1117 HydrophobicContact CG2-CD1 3.79Å; V1077-Y1120 HydrophobicContact CG1-CD1 4.37Å; V1077-Y1120 HydrophobicContact CG1-CE1 4.02Å; V1077-L1121 HydrophobicContact CG1-CD2 3.82Å |
| 1078 | P | 92.2 | Very high | 89 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -42 | 174.8 | -29.6 | 38.1 | 0 | 0 | 0 | 113.3 | L1073 I1081 L1082 F1125 | L1073-P1078 WeakPolarHBondContact O-CD 3.48Å; P1078-I1081 PolarHBondContact O-N 3.34Å; P1078-L1082 VanDerWaalsContact O-CB 3.31Å; P1078-L1082 WeakPolarHBondContact O-CB 3.41Å; P1078-L1082 WeakPolarHBondContact O-CG 3.44Å; P1078-L1082 PolarHBondContact O-N 3.34Å; P1078-F1125 HydrophobicContact CB-CE2 3.65Å; P1078-F1125 HydrophobicContact CB-CZ 3.85Å; P1078-F1125 HydrophobicContact CG-CD2 4.29Å; P1078-F1125 HydrophobicContact CG-CE2 3.68Å; P1078-F1125 HydrophobicContact CG-CZ 4.28Å |
| 1079 | F | 92.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 35.7 Ų | 35.7 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.5 | 172.8 | -111.9 | 0 | 0 | 0 | 112.3 | L1032 V1035 Q1036 L1039 L1047 L1076 V1077 I1081 G1083 | L1032-F1079 HydrophobicContact CD1-CB 4.41Å; L1032-F1079 HydrophobicContact CD1-CD1 3.85Å; L1032-F1079 HydrophobicContact CD1-CE1 4.44Å; L1032-F1079 HydrophobicContact CD1-CG 4.22Å; V1035-F1079 HydrophobicContact CB-CE1 4.49Å; V1035-F1079 HydrophobicContact CG1-CE1 3.62Å; V1035-F1079 HydrophobicContact CG1-CZ 3.87Å; Q1036-F1079 HydrophobicContact CB-CE2 4.28Å; Q1036-F1079 HydrophobicContact CG-CD2 3.49Å; Q1036-F1079 VanDerWaalsContact CG-CD2 3.49Å; Q1036-F1079 HydrophobicContact CG-CE2 3.55Å; Q1036-F1079 HydrophobicContact CG-CG 4.13Å; Q1036-F1079 HydrophobicContact CG-CZ 4.24Å; L1039-F1079 HydrophobicContact CD2-CE2 4.23Å; L1047-F1079 HydrophobicContact CD1-CE1 4.07Å; L1047-F1079 HydrophobicContact CD1-CZ 3.6Å; L1076-F1079 PolarHBondContact O-N 3.37Å; V1077-F1079 VanDerWaalsContact C-N 3.32Å; V1077-F1079 PolarHBondContact O-N 2.88Å; F1079-I1081 VanDerWaalsContact C-N 3.26Å; F1079-I1081 PolarHBondContact O-N 3.32Å; F1079-G1083 WeakPolarHBondContact O-CA 3.5Å; F1079-G1083 PolarHBondContact O-N 2.88Å |
| 1080 | F | 93.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -26 | 178.5 | -79.7 | 3.8 | 0 | 0 | 0 | 113.8 | I1051 F1054 I1058 L1076 V1077 P1084 I1103 L1107 | I1051-F1080 HydrophobicContact CG1-CE1 3.97Å; I1051-F1080 HydrophobicContact CG2-CE1 4.22Å; I1051-F1080 HydrophobicContact CG2-CZ 4.05Å; F1054-F1080 HydrophobicContact CB-CZ 4.12Å; I1058-F1080 HydrophobicContact CD1-CE2 4.41Å; L1076-F1080 HydrophobicContact CD1-CD1 4.32Å; L1076-F1080 HydrophobicContact CD1-CE1 3.69Å; L1076-F1080 HydrophobicContact CD1-CE2 4.08Å; L1076-F1080 HydrophobicContact CD1-CZ 3.57Å; L1076-F1080 HydrophobicContact CD2-CE2 3.89Å; L1076-F1080 HydrophobicContact CD2-CZ 4.08Å; L1076-F1080 HydrophobicContact CG-CD2 4.22Å; L1076-F1080 HydrophobicContact CG-CE1 4.24Å; L1076-F1080 HydrophobicContact CG-CE2 3.81Å; L1076-F1080 HydrophobicContact CG-CZ 3.84Å; L1076-F1080 PolarHBondContact O-N 3.27Å; V1077-F1080 PolarHBondContact O-N 3.32Å; F1080-P1084 WeakPolarHBondContact O-CD 3.28Å; F1080-I1103 HydrophobicContact CB-CG2 3.75Å; F1080-I1103 HydrophobicContact CD1-CG1 4.16Å; F1080-I1103 HydrophobicContact CD1-CG2 4.47Å; F1080-I1103 HydrophobicContact CG-CG1 4.5Å; F1080-I1103 HydrophobicContact CG-CG2 4.03Å; F1080-I1103 WeakPolarHBondContact O-CG2 3.41Å; F1080-L1107 HydrophobicContact CB-CD1 4.39Å; F1080-L1107 HydrophobicContact CB-CD2 4.11Å; F1080-L1107 HydrophobicContact CB-CG 4.29Å; F1080-L1107 HydrophobicContact CD2-CD2 4.24Å; F1080-L1107 HydrophobicContact CD2-CG 4.33Å |
| 1081 | I | 91.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -93.6 | -41.9 | 177.3 | -63.9 | 172.4 | 0 | 0 | 0 | 111.9 | V1077 P1078 F1079 L1107 L1121 F1125 L1126 Y1158 | V1077-I1081 HydrophobicContact CG1-CD1 4.05Å; V1077-I1081 PolarHBondContact O-N 3.19Å; V1077-I1081 VanDerWaalsContact O-N 3.15Å; P1078-I1081 PolarHBondContact O-N 3.34Å; F1079-I1081 VanDerWaalsContact C-N 3.26Å; F1079-I1081 PolarHBondContact O-N 3.32Å; I1081-L1107 HydrophobicContact CG1-CD1 4.27Å; I1081-L1121 HydrophobicContact CD1-CD1 4.33Å; I1081-L1121 HydrophobicContact CD1-CD2 3.25Å; I1081-L1121 HydrophobicContact CD1-CG 4.42Å; I1081-F1125 HydrophobicContact CB-CE1 3.83Å; I1081-F1125 HydrophobicContact CD1-CD1 3.82Å; I1081-F1125 HydrophobicContact CD1-CE1 3.76Å; I1081-F1125 HydrophobicContact CG1-CE1 4.38Å; I1081-F1125 HydrophobicContact CG2-CE1 3.84Å; I1081-L1126 HydrophobicContact CD1-CD2 4.39Å; I1081-L1126 HydrophobicContact CG2-CD2 4.22Å; I1081-Y1158 PolarHBondContact O-OH 3.49Å |
| 1082 | L | 90.9 | Very high | 89.1 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 36% | 0.356 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -84.2 | -27.3 | -176.3 | -61.6 | 176.6 | 0 | 0 | 0 | 113.2 | P1078 I1085 F1125 Q1129 | P1078-L1082 VanDerWaalsContact O-CB 3.31Å; P1078-L1082 WeakPolarHBondContact O-CB 3.41Å; P1078-L1082 WeakPolarHBondContact O-CG 3.44Å; P1078-L1082 PolarHBondContact O-N 3.34Å; L1082-I1085 HydrophobicContact CD2-CD1 4.08Å; L1082-I1085 WeakPolarHBondContact O-CB 3.39Å; L1082-I1085 PolarHBondContact O-N 3.48Å; L1082-I1085 VanDerWaalsContact O-N 3.13Å; L1082-F1125 HydrophobicContact CD1-CZ 4.13Å; L1082-F1125 HydrophobicContact CG-CZ 4.08Å; L1082-Q1129 HydrophobicContact CD2-CG 4.33Å |
| 1083 | G | 88.3 | Confident | 89 | Confident | 6 Ų | 6 | 44 Ų | 44 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -54.7 | -51.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1039 F1079 I1085 S1086 | L1039-G1083 WeakPolarHBondContact CD2-O 3.23Å; F1079-G1083 WeakPolarHBondContact O-CA 3.5Å; F1079-G1083 PolarHBondContact O-N 2.88Å; G1083-I1085 PolarHBondContact O-N 3.25Å; G1083-S1086 VanDerWaalsContact O-CB 3.3Å; G1083-S1086 WeakPolarHBondContact O-CB 3.41Å; G1083-S1086 PolarHBondContact O-N 3.45Å; G1083-S1086 VanDerWaalsContact O-N 3.14Å |
| 1084 | P | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -64.1 | -15.8 | 177.9 | -25.2 | 36.1 | 0 | 0 | 0 | 115.9 | F1080 L1100 I1103 Y1158 H1162 | F1080-P1084 WeakPolarHBondContact O-CD 3.28Å; P1084-L1100 HydrophobicContact CB-CD1 3.82Å; P1084-L1100 HydrophobicContact CG-CD1 3.61Å; P1084-I1103 HydrophobicContact CG-CD1 3.92Å; P1084-Y1158 HydrophobicContact CB-CD1 3.91Å; P1084-Y1158 HydrophobicContact CB-CD2 3.7Å; P1084-Y1158 HydrophobicContact CB-CE1 3.89Å; P1084-Y1158 HydrophobicContact CB-CE2 3.62Å; P1084-Y1158 HydrophobicContact CB-CG 3.84Å; P1084-Y1158 HydrophobicContact CG-CD2 4.37Å; P1084-Y1158 HydrophobicContact CG-CE2 3.85Å; P1084-H1162 PolarHBondContact O-NE2 2.73Å |
| 1085 | I | 89.1 | Confident | 89 | Confident | 67 Ų | 67 | 46 Ų | 46 | 34% | 0.344 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -81 | -20.2 | 177.6 | -55.3 | 176.4 | 0 | 0 | 0 | 111 | L1082 G1083 Y1158 | L1082-I1085 HydrophobicContact CD2-CD1 4.08Å; L1082-I1085 WeakPolarHBondContact O-CB 3.39Å; L1082-I1085 PolarHBondContact O-N 3.48Å; L1082-I1085 VanDerWaalsContact O-N 3.13Å; G1083-I1085 PolarHBondContact O-N 3.25Å; I1085-Y1158 HydrophobicContact CD1-CE1 4.3Å; I1085-Y1158 HydrophobicContact CG1-CD1 4.01Å; I1085-Y1158 HydrophobicContact CG1-CE1 3.65Å |
| 1086 | S | 86.1 | Confident | 89.2 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -58.2 | 136.5 | 178.2 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | G1083 I1088 F1089 H1162 | G1083-S1086 VanDerWaalsContact O-CB 3.3Å; G1083-S1086 WeakPolarHBondContact O-CB 3.41Å; G1083-S1086 PolarHBondContact O-N 3.45Å; G1083-S1086 VanDerWaalsContact O-N 3.14Å; S1086-I1088 PolarHBondContact O-N 3.16Å; S1086-I1088 PolarHBondContact OG-N 3.39Å; S1086-F1089 WeakPolarHBondContact O-CB 3.03Å; S1086-F1089 PolarHBondContact O-N 3.18Å; S1086-H1162 PolarHBondContact O-CE1 2.88Å; S1086-H1162 VanDerWaalsContact O-CE1 3.25Å |
| 1087 | P | 82.9 | Confident | 89.2 | Confident | 113 Ų | 113 | 44 Ų | 44 | 73% | 0.734 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.4 | 178.6 | 26.7 | -35.8 | 0 | 0 | 0 | 113.4 | F1089 | P1087-F1089 VanDerWaalsContact C-N 3.33Š|
| 1088 | I | 87.3 | Confident | 89.3 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 30% | 0.297 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -25.2 | 175.6 | -49.9 | 172.2 | 0 | 0 | 0 | 110.9 | L1039 D1042 S1086 R1090 | L1039-I1088 VanDerWaalsContact O-CG2 3.25Å; L1039-I1088 WeakPolarHBondContact O-CG2 2.81Å; D1042-I1088 HydrophobicContact CB-CG2 4.23Å; S1086-I1088 PolarHBondContact O-N 3.16Å; S1086-I1088 PolarHBondContact OG-N 3.39Å; I1088-R1090 PolarHBondContact O-N 3.09Å |
| 1089 | F | 88.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | trans | -77.9 | 82.9 | -178.7 | -157.8 | -69.8 | 0 | 0 | 0 | 111.3 | L1039 L1047 S1086 P1087 L1091 F1096 A1099 L1100 I1103 H1162 | L1039-F1089 HydrophobicContact CD1-CB 4.16Å; L1039-F1089 HydrophobicContact CD1-CD2 3.77Å; L1039-F1089 HydrophobicContact CD1-CG 4.43Å; L1047-F1089 HydrophobicContact CD2-CD2 4.31Å; L1047-F1089 HydrophobicContact CD2-CE2 3.9Å; S1086-F1089 WeakPolarHBondContact O-CB 3.03Å; S1086-F1089 PolarHBondContact O-N 3.18Å; P1087-F1089 VanDerWaalsContact C-N 3.33Å; F1089-L1091 HydrophobicContact CD1-CD2 4.06Å; F1089-L1091 HydrophobicContact CE1-CD2 3.99Å; F1089-L1091 PolarHBondContact O-N 2.83Å; F1089-F1096 HydrophobicContact CB-CD1 4.44Å; F1089-F1096 HydrophobicContact CD1-CB 4.06Å; F1089-F1096 AromaticContact CD1-CD1 3.88Å; F1089-F1096 HydrophobicContact CD1-CD1 3.88Å; F1089-F1096 HydrophobicContact CD1-CG 4.27Å; F1089-F1096 AromaticContact CD2-CD1 3.67Å; F1089-F1096 HydrophobicContact CD2-CD1 3.67Å; F1089-F1096 HydrophobicContact CD2-CE1 4.02Å; F1089-F1096 HydrophobicContact CE1-CB 3.74Å; F1089-F1096 AromaticContact CE1-CD1 3.94Å; F1089-F1096 HydrophobicContact CE1-CD1 3.94Å; F1089-F1096 HydrophobicContact CE1-CG 4.27Å; F1089-F1096 WeakPolarHBondContact CE1-O 3.32Å; F1089-F1096 AromaticContact CE2-CD1 3.75Å; F1089-F1096 HydrophobicContact CE2-CD1 3.75Å; F1089-F1096 HydrophobicContact CE2-CE1 4.38Å; F1089-F1096 AromaticContact CG-CD1 3.73Å; F1089-F1096 HydrophobicContact CG-CD1 3.73Å; F1089-F1096 HydrophobicContact CG-CE1 4.21Å; F1089-F1096 HydrophobicContact CG-CG 4.5Å; F1089-F1096 HydrophobicContact CZ-CB 4.18Å; F1089-F1096 AromaticContact CZ-CD1 3.86Å; F1089-F1096 HydrophobicContact CZ-CD1 3.86Å; F1089-F1096 VanDerWaalsContact CZ-O 3.24Å; F1089-F1096 WeakPolarHBondContact CZ-O 3.32Å; F1089-A1099 HydrophobicContact CZ-CB 4.32Å; F1089-L1100 HydrophobicContact CE1-CB 3.98Å; F1089-L1100 HydrophobicContact CZ-CB 3.83Å; F1089-L1100 HydrophobicContact CZ-CD1 4.39Å; F1089-I1103 HydrophobicContact CE2-CD1 4.41Å; F1089-H1162 PolarHBondContact O-CE1 2.76Å; F1089-H1162 PolarHBondContact O-NE2 2.89Å | ||
| 1090 | R | 86.3 | Confident | 89.4 | Confident | 120 Ų | 120 | 45.4 Ų | 45.4 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | trans | -79.8 | 111 | -174.6 | -68.5 | 175.5 | -72 | 174.1 | -3.6 | 112.5 | D1042 I1088 N1092 D1093 F1096 | D1042-R1090 IonicContact OD1-CZ 3.43Å; D1042-R1090 IonicContact OD1-NE 3.16Å; D1042-R1090 IonicContact OD1-NH2 2.96Å; D1042-R1090 PolarHBondContact OD1-NH2 3.03Å; D1042-R1090 IonicContact OD2-CZ 2.86Å; D1042-R1090 IonicContact OD2-NH2 3.71Å; D1042-R1090 PolarHBondContact OD2-NH2 2.74Å; I1088-R1090 PolarHBondContact O-N 3.09Å; R1090-N1092 PolarHBondContact O-N 3.31Å; R1090-D1093 PolarHBondContact O-N 3.4Å; R1090-D1093 VanDerWaalsContact O-N 3.12Å; R1090-F1096 WeakPolarHBondContact O-CB 3.43Å | ||
| 1091 | L | 85.5 | Confident | 89.4 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -12.8 | 177.3 | -63.4 | 175.3 | 0 | 0 | 0 | 114.2 | F1089 D1093 I1097 L1100 A1159 | F1089-L1091 HydrophobicContact CD1-CD2 4.06Å; F1089-L1091 HydrophobicContact CE1-CD2 3.99Å; F1089-L1091 PolarHBondContact O-N 2.83Å; L1091-D1093 VanDerWaalsContact C-N 3.27Å; L1091-I1097 VanDerWaalsContact O-CD1 3.27Å; L1091-I1097 WeakPolarHBondContact O-CD1 3.37Å; L1091-I1097 WeakPolarHBondContact O-CG1 3.12Å; L1091-L1100 HydrophobicContact CD2-CD2 3.66Å; L1091-A1159 HydrophobicContact CD1-CB 3.9Å; L1091-A1159 VanDerWaalsContact CD1-N 3.32Å |
| 1092 | N | 84.9 | Confident | 89.6 | Confident | 168 Ų | 168 | 48.1 Ų | 48.1 | 90% | 0.898 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.7 | 172.8 | -64.1 | -16.3 | 0 | 0 | 0 | 112.6 | R1090 | R1090-N1092 PolarHBondContact O-N 3.31Š|
| 1093 | D | 86.4 | Confident | 89.7 | Confident | 55 Ų | 55 | 45 Ų | 45 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -92.6 | 122.6 | 176.9 | -176.4 | -16.5 | 0 | 0 | 0 | 111 | R1090 L1091 Q1095 F1096 I1097 | R1090-D1093 PolarHBondContact O-N 3.4Å; R1090-D1093 VanDerWaalsContact O-N 3.12Å; L1091-D1093 VanDerWaalsContact C-N 3.27Å; D1093-Q1095 PolarHBondContact O-N 2.78Å; D1093-Q1095 VanDerWaalsContact O-N 3.17Å; D1093-Q1095 PolarHBondContact OD1-N 3.44Å; D1093-F1096 HydrophobicContact CB-CD2 3.97Å; D1093-F1096 PolarHBondContact O-N 3.17Å; D1093-F1096 VanDerWaalsContact O-N 3.16Å; D1093-I1097 PolarHBondContact O-N 3.43Å; D1093-I1097 VanDerWaalsContact O-N 3.14Å |
| 1094 | G | 88.8 | Confident | 90 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.8 | -28.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1098 | G1094-L1098 VanDerWaalsContact O-CG 3.28Å; G1094-L1098 WeakPolarHBondContact O-CG 3.25Å; G1094-L1098 PolarHBondContact O-N 3.1Å; G1094-L1098 VanDerWaalsContact O-N 3.15Å |
| 1095 | Q | 90.5 | Very high | 90.2 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -73.7 | -37.8 | 177.6 | -65 | -62.1 | -23.1 | 0 | 0 | 112.4 | P1044 D1093 L1098 A1099 | P1044-Q1095 HydrophobicContact CB-CB 3.69Å; P1044-Q1095 HydrophobicContact CG-CB 3.63Å; P1044-Q1095 HydrophobicContact CG-CG 4.49Å; D1093-Q1095 PolarHBondContact O-N 2.78Å; D1093-Q1095 VanDerWaalsContact O-N 3.17Å; D1093-Q1095 PolarHBondContact OD1-N 3.44Å; Q1095-L1098 PolarHBondContact O-N 3.38Å; Q1095-A1099 PolarHBondContact O-N 2.94Å |
| 1096 | F | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 173.4 | -84.3 | -71.1 | 0 | 0 | 0 | 111.3 | L1039 D1042 P1044 L1047 F1089 R1090 D1093 L1098 A1099 L1100 | L1039-F1096 HydrophobicContact CD1-CE1 4.06Å; D1042-F1096 WeakPolarHBondContact OD1-CE2 3.4Å; P1044-F1096 HydrophobicContact CB-CD1 3.98Å; P1044-F1096 HydrophobicContact CB-CD2 3.88Å; P1044-F1096 HydrophobicContact CB-CE1 4.01Å; P1044-F1096 HydrophobicContact CB-CE2 3.91Å; P1044-F1096 HydrophobicContact CB-CG 3.93Å; P1044-F1096 HydrophobicContact CB-CZ 3.98Å; P1044-F1096 HydrophobicContact CG-CD2 4.14Å; P1044-F1096 HydrophobicContact CG-CE2 3.95Å; P1044-F1096 HydrophobicContact CG-CZ 4.31Å; L1047-F1096 HydrophobicContact CD2-CD1 4.41Å; L1047-F1096 HydrophobicContact CD2-CE1 4.13Å; F1089-F1096 HydrophobicContact CB-CD1 4.44Å; F1089-F1096 HydrophobicContact CD1-CB 4.06Å; F1089-F1096 AromaticContact CD1-CD1 3.88Å; F1089-F1096 HydrophobicContact CD1-CD1 3.88Å; F1089-F1096 HydrophobicContact CD1-CG 4.27Å; F1089-F1096 AromaticContact CD2-CD1 3.67Å; F1089-F1096 HydrophobicContact CD2-CD1 3.67Å; F1089-F1096 HydrophobicContact CD2-CE1 4.02Å; F1089-F1096 HydrophobicContact CE1-CB 3.74Å; F1089-F1096 AromaticContact CE1-CD1 3.94Å; F1089-F1096 HydrophobicContact CE1-CD1 3.94Å; F1089-F1096 HydrophobicContact CE1-CG 4.27Å; F1089-F1096 WeakPolarHBondContact CE1-O 3.32Å; F1089-F1096 AromaticContact CE2-CD1 3.75Å; F1089-F1096 HydrophobicContact CE2-CD1 3.75Å; F1089-F1096 HydrophobicContact CE2-CE1 4.38Å; F1089-F1096 AromaticContact CG-CD1 3.73Å; F1089-F1096 HydrophobicContact CG-CD1 3.73Å; F1089-F1096 HydrophobicContact CG-CE1 4.21Å; F1089-F1096 HydrophobicContact CG-CG 4.5Å; F1089-F1096 HydrophobicContact CZ-CB 4.18Å; F1089-F1096 AromaticContact CZ-CD1 3.86Å; F1089-F1096 HydrophobicContact CZ-CD1 3.86Å; F1089-F1096 VanDerWaalsContact CZ-O 3.24Å; F1089-F1096 WeakPolarHBondContact CZ-O 3.32Å; R1090-F1096 WeakPolarHBondContact O-CB 3.43Å; D1093-F1096 HydrophobicContact CB-CD2 3.97Å; D1093-F1096 PolarHBondContact O-N 3.17Å; D1093-F1096 VanDerWaalsContact O-N 3.16Å; F1096-L1098 VanDerWaalsContact C-N 3.29Å; F1096-L1098 PolarHBondContact O-N 2.95Å; F1096-A1099 WeakPolarHBondContact O-CB 3.37Å; F1096-A1099 PolarHBondContact O-N 3.19Å; F1096-A1099 VanDerWaalsContact O-N 3.15Å; F1096-L1100 WeakPolarHBondContact O-CB 3.49Å; F1096-L1100 PolarHBondContact O-N 3.42Å |
| 1097 | I | 92.5 | Very high | 90.7 | Very high | 46 Ų | 46 | 41.9 Ų | 41.9 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 171.7 | -65 | 170.5 | 0 | 0 | 0 | 110.9 | L1091 D1093 A1099 L1100 D1101 | L1091-I1097 VanDerWaalsContact O-CD1 3.27Å; L1091-I1097 WeakPolarHBondContact O-CD1 3.37Å; L1091-I1097 WeakPolarHBondContact O-CG1 3.12Å; D1093-I1097 PolarHBondContact O-N 3.43Å; D1093-I1097 VanDerWaalsContact O-N 3.14Å; I1097-A1099 VanDerWaalsContact C-N 3.34Å; I1097-A1099 PolarHBondContact O-N 3.4Å; I1097-L1100 WeakPolarHBondContact O-CB 3.29Å; I1097-L1100 PolarHBondContact O-N 3.45Å; I1097-D1101 VanDerWaalsContact O-CG 3.31Å; I1097-D1101 PolarHBondContact O-N 2.65Å |
| 1098 | L | 93.3 | Very high | 91.2 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 35% | 0.346 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.8 | -32.2 | 178.1 | -68.1 | 171.3 | 0 | 0 | 0 | 113.1 | G1094 Q1095 F1096 K1102 | G1094-L1098 VanDerWaalsContact O-CG 3.28Å; G1094-L1098 WeakPolarHBondContact O-CG 3.25Å; G1094-L1098 PolarHBondContact O-N 3.1Å; G1094-L1098 VanDerWaalsContact O-N 3.15Å; Q1095-L1098 PolarHBondContact O-N 3.38Å; F1096-L1098 VanDerWaalsContact C-N 3.29Å; F1096-L1098 PolarHBondContact O-N 2.95Å; L1098-K1102 WeakPolarHBondContact O-CG 3.27Å; L1098-K1102 PolarHBondContact O-N 3.24Å |
| 1099 | A | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1047 R1048 I1051 F1089 Q1095 F1096 I1097 D1101 K1102 I1103 | L1047-A1099 HydrophobicContact CD2-CB 4.33Å; L1047-A1099 HydrophobicContact CG-CB 4.39Å; R1048-A1099 HydrophobicContact CB-CB 4.18Å; I1051-A1099 HydrophobicContact CD1-CB 4.13Å; F1089-A1099 HydrophobicContact CZ-CB 4.32Å; Q1095-A1099 PolarHBondContact O-N 2.94Å; F1096-A1099 WeakPolarHBondContact O-CB 3.37Å; F1096-A1099 PolarHBondContact O-N 3.19Å; F1096-A1099 VanDerWaalsContact O-N 3.15Å; I1097-A1099 VanDerWaalsContact C-N 3.34Å; I1097-A1099 PolarHBondContact O-N 3.4Å; A1099-D1101 PolarHBondContact O-N 3.07Å; A1099-K1102 PolarHBondContact O-N 3.43Å; A1099-K1102 VanDerWaalsContact O-N 3.1Å; A1099-I1103 WeakPolarHBondContact O-CG1 3.35Å; A1099-I1103 PolarHBondContact O-N 3.34Å |
| 1100 | L | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 177.7 | -173.6 | 60.7 | 0 | 0 | 0 | 112.1 | P1084 F1089 L1091 F1096 I1097 K1102 I1103 A1104 V1154 R1155 Y1158 | P1084-L1100 HydrophobicContact CB-CD1 3.82Å; P1084-L1100 HydrophobicContact CG-CD1 3.61Å; F1089-L1100 HydrophobicContact CE1-CB 3.98Å; F1089-L1100 HydrophobicContact CZ-CB 3.83Å; F1089-L1100 HydrophobicContact CZ-CD1 4.39Å; L1091-L1100 HydrophobicContact CD2-CD2 3.66Å; F1096-L1100 WeakPolarHBondContact O-CB 3.49Å; F1096-L1100 PolarHBondContact O-N 3.42Å; I1097-L1100 WeakPolarHBondContact O-CB 3.29Å; I1097-L1100 PolarHBondContact O-N 3.45Å; L1100-K1102 PolarHBondContact O-N 3.16Å; L1100-I1103 WeakPolarHBondContact O-CB 3.33Å; L1100-I1103 PolarHBondContact O-N 3.45Å; L1100-I1103 VanDerWaalsContact O-N 3.16Å; L1100-A1104 PolarHBondContact O-N 2.76Å; L1100-V1154 HydrophobicContact CD1-CG1 3.6Å; L1100-V1154 HydrophobicContact CD2-CG1 4Å; L1100-V1154 HydrophobicContact CG-CG1 3.72Å; L1100-R1155 HydrophobicContact CD2-CG 4.13Å; L1100-Y1158 HydrophobicContact CD1-CD2 3.74Å; L1100-Y1158 HydrophobicContact CD1-CE2 3.84Å; L1100-Y1158 HydrophobicContact CD2-CD2 4.22Å |
| 1101 | D | 94.1 | Very high | 91.6 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.4 | -34.7 | 175.4 | -72.6 | -16.6 | 0 | 0 | 0 | 112 | I1097 A1099 E1105 Q1151 R1155 | I1097-D1101 VanDerWaalsContact O-CG 3.31Å; I1097-D1101 PolarHBondContact O-N 2.65Å; A1099-D1101 PolarHBondContact O-N 3.07Å; D1101-E1105 WeakPolarHBondContact O-CB 3.44Å; D1101-E1105 PolarHBondContact O-N 2.93Å; D1101-Q1151 HydrophobicContact CB-CG 4.39Å; D1101-Q1151 PolarHBondContact O-NE2 3.39Å; D1101-R1155 IonicContact OD1-CZ 2.74Å; D1101-R1155 VanDerWaalsContact OD1-CZ 3.32Å; D1101-R1155 IonicContact OD1-NE 2.69Å; D1101-R1155 PolarHBondContact OD1-NE 3.46Å; D1101-R1155 IonicContact OD1-NH2 2.77Å; D1101-R1155 PolarHBondContact OD1-NH2 3.13Å; D1101-R1155 IonicContact OD2-CZ 2.84Å; D1101-R1155 IonicContact OD2-NE 3.87Å; D1101-R1155 IonicContact OD2-NH2 2.71Å; D1101-R1155 PolarHBondContact OD2-NH2 2.87Å |
| 1102 | K | 94 | Very high | 91.7 | Very high | 50 Ų | 50 | 36.9 Ų | 36.9 | 22% | 0.217 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -77.6 | -32.2 | 177.1 | -68.4 | -63.1 | 174.2 | -168.2 | 0 | 113.1 | R1048 I1051 I1052 L1055 L1098 A1099 L1100 E1105 S1106 | R1048-K1102 HydrophobicContact CG-CG 4.46Å; I1051-K1102 HydrophobicContact CG2-CB 3.71Å; I1052-K1102 HydrophobicContact CG1-CD 4.24Å; I1052-K1102 HydrophobicContact CG1-CG 4.23Å; L1055-K1102 HydrophobicContact CD2-CD 4.32Å; L1098-K1102 WeakPolarHBondContact O-CG 3.27Å; L1098-K1102 PolarHBondContact O-N 3.24Å; A1099-K1102 PolarHBondContact O-N 3.43Å; A1099-K1102 VanDerWaalsContact O-N 3.1Å; L1100-K1102 PolarHBondContact O-N 3.16Å; K1102-E1105 WeakPolarHBondContact CD-OE2 3.46Å; K1102-E1105 IonicContact NZ-OE1 2.88Å; K1102-E1105 IonicContact NZ-OE2 3.38Å; K1102-E1105 PolarHBondContact NZ-OE2 3.25Å; K1102-S1106 WeakPolarHBondContact O-CB 3.44Å; K1102-S1106 PolarHBondContact O-N 3.37Å; K1102-S1106 PolarHBondContact O-OG 2.92Å |
| 1103 | I | 94.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -50.2 | 168 | -70.9 | 174.9 | 0 | 0 | 0 | 109.4 | I1051 F1080 P1084 F1089 A1099 L1100 E1105 S1106 L1107 | I1051-I1103 HydrophobicContact CD1-CD1 3.91Å; I1051-I1103 HydrophobicContact CD1-CG1 3.61Å; I1051-I1103 HydrophobicContact CG1-CG1 4.11Å; I1051-I1103 HydrophobicContact CG2-CG1 4.14Å; F1080-I1103 HydrophobicContact CB-CG2 3.75Å; F1080-I1103 HydrophobicContact CD1-CG1 4.16Å; F1080-I1103 HydrophobicContact CD1-CG2 4.47Å; F1080-I1103 HydrophobicContact CG-CG1 4.5Å; F1080-I1103 HydrophobicContact CG-CG2 4.03Å; F1080-I1103 WeakPolarHBondContact O-CG2 3.41Å; P1084-I1103 HydrophobicContact CG-CD1 3.92Å; F1089-I1103 HydrophobicContact CE2-CD1 4.41Å; A1099-I1103 WeakPolarHBondContact O-CG1 3.35Å; A1099-I1103 PolarHBondContact O-N 3.34Å; L1100-I1103 WeakPolarHBondContact O-CB 3.33Å; L1100-I1103 PolarHBondContact O-N 3.45Å; L1100-I1103 VanDerWaalsContact O-N 3.16Å; I1103-E1105 VanDerWaalsContact C-N 3.34Å; I1103-E1105 PolarHBondContact O-N 3.23Å; I1103-S1106 WeakPolarHBondContact O-CB 3.45Å; I1103-S1106 PolarHBondContact O-N 3.28Å; I1103-S1106 VanDerWaalsContact O-N 3.1Å; I1103-L1107 HydrophobicContact CG2-CD1 4.2Å; I1103-L1107 PolarHBondContact O-N 3.1Å |
| 1104 | A | 94 | Very high | 91.6 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1100 S1106 L1107 H1108 F1150 Q1151 V1154 | L1100-A1104 PolarHBondContact O-N 2.76Å; A1104-S1106 VanDerWaalsContact C-N 3.34Å; A1104-S1106 PolarHBondContact O-N 3.41Å; A1104-L1107 PolarHBondContact O-N 3.44Å; A1104-H1108 VanDerWaalsContact O-CB 3.31Å; A1104-H1108 WeakPolarHBondContact O-CB 3.22Å; A1104-H1108 PolarHBondContact O-N 2.9Å; A1104-F1150 HydrophobicContact CB-CD1 3.87Å; A1104-F1150 HydrophobicContact CB-CE1 3.88Å; A1104-F1150 WeakPolarHBondContact O-CE1 3.42Å; A1104-Q1151 HydrophobicContact CB-CG 3.94Å; A1104-V1154 HydrophobicContact CB-CB 4.43Å; A1104-V1154 HydrophobicContact CB-CG1 4.48Å; A1104-V1154 HydrophobicContact CB-CG2 4.25Å |
| 1105 | E | 94.6 | Very high | 91 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 16% | 0.164 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 173.6 | -172.1 | 177.1 | 170.1 | 0 | 0 | 112.1 | L1055 D1101 K1102 I1103 H1108 V1109 L1147 | L1055-E1105 HydrophobicContact CD1-CG 4.14Å; L1055-E1105 HydrophobicContact CD2-CG 4.03Å; D1101-E1105 WeakPolarHBondContact O-CB 3.44Å; D1101-E1105 PolarHBondContact O-N 2.93Å; K1102-E1105 WeakPolarHBondContact CD-OE2 3.46Å; K1102-E1105 IonicContact NZ-OE1 2.88Å; K1102-E1105 IonicContact NZ-OE2 3.38Å; K1102-E1105 PolarHBondContact NZ-OE2 3.25Å; I1103-E1105 VanDerWaalsContact C-N 3.34Å; I1103-E1105 PolarHBondContact O-N 3.23Å; E1105-H1108 PolarHBondContact O-N 2.75Å; E1105-V1109 HydrophobicContact CG-CG2 4.4Å; E1105-V1109 WeakPolarHBondContact O-CB 3.46Å; E1105-V1109 VanDerWaalsContact O-CG2 3.25Å; E1105-V1109 WeakPolarHBondContact O-CG2 3.46Å; E1105-V1109 PolarHBondContact O-N 3.17Å; E1105-L1147 HydrophobicContact CB-CD1 3.95Å; E1105-L1147 HydrophobicContact CB-CD2 4.48Å; E1105-L1147 HydrophobicContact CG-CD1 4.23Å; E1105-L1147 HydrophobicContact CG-CD2 3.99Å |
| 1106 | S | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 178.7 | -55 | 0 | 0 | 0 | 0 | 112.6 | L1055 K1102 I1103 A1104 L1110 | L1055-S1106 WeakPolarHBondContact CB-OG 3.33Å; K1102-S1106 WeakPolarHBondContact O-CB 3.44Å; K1102-S1106 PolarHBondContact O-N 3.37Å; K1102-S1106 PolarHBondContact O-OG 2.92Å; I1103-S1106 WeakPolarHBondContact O-CB 3.45Å; I1103-S1106 PolarHBondContact O-N 3.28Å; I1103-S1106 VanDerWaalsContact O-N 3.1Å; A1104-S1106 VanDerWaalsContact C-N 3.34Å; A1104-S1106 PolarHBondContact O-N 3.41Å; S1106-L1110 VanDerWaalsContact O-CB 3.27Å; S1106-L1110 WeakPolarHBondContact O-CB 3.25Å; S1106-L1110 PolarHBondContact O-N 2.95Å |
| 1107 | L | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 175.8 | -68.5 | 173.4 | 0 | 0 | 0 | 111.6 | V1077 F1080 I1081 I1103 A1104 L1110 Y1111 L1117 Y1139 L1143 F1150 | V1077-L1107 HydrophobicContact CG1-CD2 4.45Å; V1077-L1107 HydrophobicContact CG2-CD2 4.46Å; F1080-L1107 HydrophobicContact CB-CD1 4.39Å; F1080-L1107 HydrophobicContact CB-CD2 4.11Å; F1080-L1107 HydrophobicContact CB-CG 4.29Å; F1080-L1107 HydrophobicContact CD2-CD2 4.24Å; F1080-L1107 HydrophobicContact CD2-CG 4.33Å; I1081-L1107 HydrophobicContact CG1-CD1 4.27Å; I1103-L1107 HydrophobicContact CG2-CD1 4.2Å; I1103-L1107 PolarHBondContact O-N 3.1Å; A1104-L1107 PolarHBondContact O-N 3.44Å; L1107-L1110 PolarHBondContact O-N 3.29Å; L1107-Y1111 WeakPolarHBondContact O-CB 3.38Å; L1107-Y1111 PolarHBondContact O-N 3.3Å; L1107-L1117 WeakPolarHBondContact O-CD2 3.36Å; L1107-Y1139 WeakPolarHBondContact CD1-OH 3.21Å; L1107-L1143 HydrophobicContact CB-CD1 4.26Å; L1107-F1150 HydrophobicContact CB-CE1 4.27Å |
| 1108 | H | 92.2 | Very high | 90 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.069 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 178.8 | -169.1 | 73.1 | 0 | 0 | 0 | 112 | A1104 E1105 Y1111 Q1112 L1143 S1145 L1147 F1150 | A1104-H1108 VanDerWaalsContact O-CB 3.31Å; A1104-H1108 WeakPolarHBondContact O-CB 3.22Å; A1104-H1108 PolarHBondContact O-N 2.9Å; E1105-H1108 PolarHBondContact O-N 2.75Å; H1108-Y1111 PolarHBondContact O-N 2.68Å; H1108-Q1112 PolarHBondContact CD2-NE2 3.32Å; H1108-Q1112 VanDerWaalsContact CD2-NE2 3.34Å; H1108-Q1112 PolarHBondContact NE2-NE2 3.25Å; H1108-Q1112 WeakPolarHBondContact O-CG 3.4Å; H1108-Q1112 PolarHBondContact O-N 2.89Å; H1108-L1143 PolarHBondContact CE1-O 3.45Å; H1108-L1143 PolarHBondContact ND1-O 3.37Å; H1108-S1145 PolarHBondContact CE1-O 2.73Å; H1108-L1147 HydrophobicContact CB-CD1 4.09Å; H1108-F1150 HydrophobicContact CB-CD1 4.25Å |
| 1109 | V | 91 | Very high | 89.7 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 175.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | L1055 I1058 Q1059 E1105 Q1112 K1113 | L1055-V1109 HydrophobicContact CD1-CB 4.26Å; L1055-V1109 HydrophobicContact CD1-CG2 4.12Å; I1058-V1109 HydrophobicContact CG2-CG1 4.04Å; Q1059-V1109 HydrophobicContact CG-CG1 3.84Å; E1105-V1109 HydrophobicContact CG-CG2 4.4Å; E1105-V1109 WeakPolarHBondContact O-CB 3.46Å; E1105-V1109 VanDerWaalsContact O-CG2 3.25Å; E1105-V1109 WeakPolarHBondContact O-CG2 3.46Å; E1105-V1109 PolarHBondContact O-N 3.17Å; V1109-Q1112 PolarHBondContact O-N 3.35Å; V1109-K1113 PolarHBondContact O-N 3.38Å |
| 1110 | L | 90.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.8 | -173.9 | 63.3 | 0 | 0 | 0 | 111.3 | I1058 A1062 Y1068 L1072 V1077 S1106 L1107 K1113 Q1114 L1117 | I1058-L1110 HydrophobicContact CG1-CD1 4.49Å; I1058-L1110 HydrophobicContact CG2-CB 3.99Å; I1058-L1110 HydrophobicContact CG2-CD1 3.88Å; A1062-L1110 HydrophobicContact CB-CD1 4.15Å; Y1068-L1110 HydrophobicContact CD2-CD1 4.04Å; Y1068-L1110 HydrophobicContact CE2-CD1 3.79Å; Y1068-L1110 HydrophobicContact CE2-CG 4.25Å; L1072-L1110 HydrophobicContact CD1-CD1 3.95Å; V1077-L1110 HydrophobicContact CG2-CD2 3.59Å; S1106-L1110 VanDerWaalsContact O-CB 3.27Å; S1106-L1110 WeakPolarHBondContact O-CB 3.25Å; S1106-L1110 PolarHBondContact O-N 2.95Å; L1107-L1110 PolarHBondContact O-N 3.29Å; L1110-K1113 PolarHBondContact O-N 3.44Å; L1110-Q1114 PolarHBondContact O-N 3.09Å; L1110-L1117 HydrophobicContact CB-CD2 3.96Å; L1110-L1117 HydrophobicContact CD2-CD1 4.01Å; L1110-L1117 HydrophobicContact CD2-CD2 3.95Å; L1110-L1117 HydrophobicContact CG-CD2 3.93Å |
| 1111 | Y | 89.6 | Confident | 89.2 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 19% | 0.188 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 173.3 | 173.6 | -111.7 | 0 | 0 | 0 | 112 | L1107 H1108 K1113 Y1118 L1143 K1144 | L1107-Y1111 WeakPolarHBondContact O-CB 3.38Å; L1107-Y1111 PolarHBondContact O-N 3.3Å; H1108-Y1111 PolarHBondContact O-N 2.68Å; Y1111-K1113 PolarHBondContact O-N 2.89Å; Y1111-Y1118 HydrophobicContact CE2-CD2 4.43Å; Y1111-Y1118 HydrophobicContact CE2-CG 4.38Å; Y1111-L1143 HydrophobicContact CD1-CG 4.45Å; Y1111-L1143 HydrophobicContact CD2-CD2 4.32Å; Y1111-L1143 HydrophobicContact CG-CD2 4.21Å; Y1111-L1143 HydrophobicContact CG-CG 4.19Å; Y1111-K1144 HydrophobicContact CE1-CG 4.17Å |
| 1112 | Q | 88 | Confident | 88.8 | Confident | 127 Ų | 127 | 37.7 Ų | 37.7 | 59% | 0.593 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64 | -25.1 | 178.7 | -74 | -179 | -0.9 | 0 | 0 | 113.8 | H1108 V1109 | H1108-Q1112 PolarHBondContact CD2-NE2 3.32Å; H1108-Q1112 VanDerWaalsContact CD2-NE2 3.34Å; H1108-Q1112 PolarHBondContact NE2-NE2 3.25Å; H1108-Q1112 WeakPolarHBondContact O-CG 3.4Å; H1108-Q1112 PolarHBondContact O-N 2.89Å; V1109-Q1112 PolarHBondContact O-N 3.35Å |
| 1113 | K | 85.2 | Confident | 88.4 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -95.6 | -29.3 | -177.9 | -74.8 | -166.9 | 166.6 | -137.6 | 0 | 114.3 | I1058 Q1059 A1062 H1063 V1109 L1110 Y1111 | I1058-K1113 WeakPolarHBondContact O-CD 3.31Å; Q1059-K1113 WeakPolarHBondContact O-CE 3.29Å; Q1059-K1113 PolarHBondContact O-NZ 3.43Å; A1062-K1113 HydrophobicContact CB-CB 4.27Å; A1062-K1113 HydrophobicContact CB-CD 3.9Å; H1063-K1113 PolarHBondContact NE2-NZ 3.23Å; V1109-K1113 PolarHBondContact O-N 3.38Å; L1110-K1113 PolarHBondContact O-N 3.44Å; Y1111-K1113 PolarHBondContact O-N 2.89Å |
| 1114 | Q | 84.6 | Confident | 88.1 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -141.4 | 110.1 | -176.2 | -68.6 | -68.9 | -2.2 | 0 | 0 | 110.1 | A1062 Y1068 L1110 G1116 L1117 | A1062-Q1114 WeakPolarHBondContact O-CG 3.4Å; A1062-Q1114 PolarHBondContact O-NE2 3.49Å; Y1068-Q1114 HydrophobicContact CD2-CB 4.15Å; Y1068-Q1114 HydrophobicContact CD2-CG 3.81Å; Y1068-Q1114 HydrophobicContact CE1-CB 4.38Å; Y1068-Q1114 HydrophobicContact CE2-CB 3.55Å; Y1068-Q1114 HydrophobicContact CE2-CG 3.75Å; Y1068-Q1114 HydrophobicContact CG-CG 4.28Å; L1110-Q1114 PolarHBondContact O-N 3.09Å; Q1114-G1116 PolarHBondContact O-N 2.93Å; Q1114-G1116 VanDerWaalsContact O-N 3.11Å; Q1114-L1117 PolarHBondContact O-N 2.88Å | ||
| 1115 | D | 75.7 | Confident | 87.8 | Confident | 124 Ų | 124 | 46 Ų | 46 | 66% | 0.663 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.9 | -179.6 | -68.6 | -30.9 | 0 | 0 | 0 | 113 | L1117 Y1118 | D1115-L1117 PolarHBondContact O-N 3.38Å; D1115-L1117 VanDerWaalsContact O-N 3.11Å; D1115-Y1118 PolarHBondContact O-N 3.13Å |
| 1116 | G | 84.2 | Confident | 87.4 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.6 | -22.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1068 Q1114 Y1118 T1119 Y1120 | Y1068-G1116 VanDerWaalsContact OH-C 3.25Å; Q1114-G1116 PolarHBondContact O-N 2.93Å; Q1114-G1116 VanDerWaalsContact O-N 3.11Å; G1116-Y1118 VanDerWaalsContact C-N 3.32Å; G1116-Y1118 PolarHBondContact O-N 3.41Å; G1116-T1119 PolarHBondContact O-N 3.38Å; G1116-Y1120 WeakPolarHBondContact O-CB 3.27Å; G1116-Y1120 PolarHBondContact O-N 3.45Å |
| 1117 | L | 85.4 | Confident | 87 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | -179.3 | -178.5 | 65.9 | 0 | 0 | 0 | 111 | Y1068 L1073 V1077 L1107 L1110 Q1114 D1115 Y1120 L1121 | Y1068-L1117 WeakPolarHBondContact OH-CA 3.38Å; Y1068-L1117 PolarHBondContact OH-N 3.28Å; L1073-L1117 HydrophobicContact CD2-CD1 4.08Å; V1077-L1117 HydrophobicContact CG1-CD1 4.03Å; V1077-L1117 HydrophobicContact CG2-CD1 3.79Å; L1107-L1117 WeakPolarHBondContact O-CD2 3.36Å; L1110-L1117 HydrophobicContact CB-CD2 3.96Å; L1110-L1117 HydrophobicContact CD2-CD1 4.01Å; L1110-L1117 HydrophobicContact CD2-CD2 3.95Å; L1110-L1117 HydrophobicContact CG-CD2 3.93Å; Q1114-L1117 PolarHBondContact O-N 2.88Å; D1115-L1117 PolarHBondContact O-N 3.38Å; D1115-L1117 VanDerWaalsContact O-N 3.11Å; L1117-Y1120 PolarHBondContact O-N 2.86Å; L1117-L1121 HydrophobicContact CD1-CD1 4.1Å; L1117-L1121 HydrophobicContact CD1-CD2 4.5Å; L1117-L1121 HydrophobicContact CD1-CG 4.01Å; L1117-L1121 HydrophobicContact CD2-CD1 4.47Å; L1117-L1121 HydrophobicContact CG-CD1 3.98Å; L1117-L1121 HydrophobicContact CG-CG 4.23Å; L1117-L1121 WeakPolarHBondContact O-CB 3.5Å; L1117-L1121 VanDerWaalsContact O-CG 3.29Å; L1117-L1121 WeakPolarHBondContact O-CG 3.28Å; L1117-L1121 PolarHBondContact O-N 3.14Å |
| 1118 | Y | 85.5 | Confident | 86.8 | Confident | 42 Ų | 42 | 54.7 Ų | 54.7 | 17% | 0.165 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 179.8 | 177.6 | -94 | 0 | 0 | 0 | 111.2 | Y1111 D1115 G1116 L1121 K1122 T1140 K1144 | Y1111-Y1118 HydrophobicContact CE2-CD2 4.43Å; Y1111-Y1118 HydrophobicContact CE2-CG 4.38Å; D1115-Y1118 PolarHBondContact O-N 3.13Å; G1116-Y1118 VanDerWaalsContact C-N 3.32Å; G1116-Y1118 PolarHBondContact O-N 3.41Å; Y1118-L1121 PolarHBondContact O-N 3.13Å; Y1118-K1122 HydrophobicContact CE1-CD 3.83Å; Y1118-K1122 WeakPolarHBondContact O-CB 3.37Å; Y1118-K1122 PolarHBondContact O-N 3.28Å; Y1118-T1140 HydrophobicContact CE2-CG2 4.47Å; Y1118-K1144 HydrophobicContact CE2-CD 4.45Å |
| 1119 | T | 86.6 | Confident | 86.4 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 47% | 0.466 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 177.4 | -46.5 | 0 | 0 | 0 | 0 | 110.9 | G1116 L1121 K1122 D1123 | G1116-T1119 PolarHBondContact O-N 3.38Å; T1119-L1121 PolarHBondContact O-N 3.38Å; T1119-K1122 PolarHBondContact O-N 2.87Å; T1119-D1123 VanDerWaalsContact CG2-OD2 3.25Å; T1119-D1123 WeakPolarHBondContact CG2-OD2 3.34Å; T1119-D1123 VanDerWaalsContact O-CB 3.3Å; T1119-D1123 WeakPolarHBondContact O-CB 3.39Å; T1119-D1123 PolarHBondContact O-N 3.01Å |
| 1120 | Y | 88.7 | Confident | 85.9 | Confident | 42 Ų | 42 | 65.9 Ų | 65.9 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -60.3 | -46.1 | 176.7 | 177.1 | -103.6 | 0 | 0 | 0 | 112.5 | L1073 V1077 G1116 L1117 Y1124 F1125 | L1073-Y1120 HydrophobicContact CD2-CD1 3.69Å; L1073-Y1120 HydrophobicContact CD2-CD2 4.42Å; L1073-Y1120 HydrophobicContact CD2-CE1 4.15Å; L1073-Y1120 HydrophobicContact CD2-CG 3.83Å; L1073-Y1120 PolarHBondContact O-OH 3.33Å; L1073-Y1120 VanDerWaalsContact O-OH 3.13Å; V1077-Y1120 HydrophobicContact CG1-CD1 4.37Å; V1077-Y1120 HydrophobicContact CG1-CE1 4.02Å; G1116-Y1120 WeakPolarHBondContact O-CB 3.27Å; G1116-Y1120 PolarHBondContact O-N 3.45Å; L1117-Y1120 PolarHBondContact O-N 2.86Å; Y1120-Y1124 AromaticContact CD2-CD1 3.92Å; Y1120-Y1124 HydrophobicContact CD2-CD1 3.92Å; Y1120-Y1124 HydrophobicContact CD2-CG 4.45Å; Y1120-Y1124 AromaticContact CE2-CD1 3.4Å; Y1120-Y1124 HydrophobicContact CE2-CD1 3.4Å; Y1120-Y1124 VanDerWaalsContact CE2-CD1 3.4Å; Y1120-Y1124 AromaticContact CE2-CE1 3.86Å; Y1120-Y1124 HydrophobicContact CE2-CE1 3.86Å; Y1120-Y1124 HydrophobicContact CE2-CG 4.34Å; Y1120-Y1124 WeakPolarHBondContact O-CA 3.31Å; Y1120-Y1124 WeakPolarHBondContact O-CB 3.33Å; Y1120-Y1124 PolarHBondContact O-N 3.12Å; Y1120-Y1124 VanDerWaalsContact O-N 3.14Å; Y1120-F1125 HydrophobicContact CD1-CB 4.08Å; Y1120-F1125 HydrophobicContact CE1-CB 3.68Å; Y1120-F1125 HydrophobicContact CE1-CD2 4.2Å; Y1120-F1125 HydrophobicContact CE1-CG 4.06Å; Y1120-F1125 PolarHBondContact O-N 2.96Å |
| 1121 | L | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -68.5 | -45.3 | 179.6 | -69.5 | -177.6 | 0 | 0 | 0 | 112.2 | V1077 I1081 L1117 Y1118 T1119 F1125 L1126 P1127 L1143 | V1077-L1121 HydrophobicContact CG1-CD2 3.82Å; I1081-L1121 HydrophobicContact CD1-CD1 4.33Å; I1081-L1121 HydrophobicContact CD1-CD2 3.25Å; I1081-L1121 HydrophobicContact CD1-CG 4.42Å; L1117-L1121 HydrophobicContact CD1-CD1 4.1Å; L1117-L1121 HydrophobicContact CD1-CD2 4.5Å; L1117-L1121 HydrophobicContact CD1-CG 4.01Å; L1117-L1121 HydrophobicContact CD2-CD1 4.47Å; L1117-L1121 HydrophobicContact CG-CD1 3.98Å; L1117-L1121 HydrophobicContact CG-CG 4.23Å; L1117-L1121 WeakPolarHBondContact O-CB 3.5Å; L1117-L1121 VanDerWaalsContact O-CG 3.29Å; L1117-L1121 WeakPolarHBondContact O-CG 3.28Å; L1117-L1121 PolarHBondContact O-N 3.14Å; Y1118-L1121 PolarHBondContact O-N 3.13Å; T1119-L1121 PolarHBondContact O-N 3.38Å; L1121-F1125 HydrophobicContact CD2-CB 4.2Å; L1121-F1125 HydrophobicContact CD2-CD1 4.01Å; L1121-F1125 HydrophobicContact CD2-CG 4.41Å; L1121-L1126 HydrophobicContact CB-CD1 4.12Å; L1121-L1126 HydrophobicContact CB-CG 4.34Å; L1121-L1126 WeakPolarHBondContact O-CB 3.06Å; L1121-L1126 VanDerWaalsContact O-CG 3.28Å; L1121-L1126 WeakPolarHBondContact O-CG 3.21Å; L1121-L1126 PolarHBondContact O-N 3.31Å; L1121-P1127 WeakPolarHBondContact O-CD 3.5Å; L1121-L1143 HydrophobicContact CD1-CD2 4.05Å |
| 1122 | K | 86.2 | Confident | 85.1 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -71.4 | -44.9 | -176.3 | -174.5 | -174.1 | 173 | -173.7 | 0 | 112.7 | Y1118 T1119 P1127 T1140 | Y1118-K1122 HydrophobicContact CE1-CD 3.83Å; Y1118-K1122 WeakPolarHBondContact O-CB 3.37Å; Y1118-K1122 PolarHBondContact O-N 3.28Å; T1119-K1122 PolarHBondContact O-N 2.87Å; K1122-P1127 WeakPolarHBondContact O-CD 3.36Å; K1122-P1127 WeakPolarHBondContact O-CG 3.43Å; K1122-T1140 HydrophobicContact CB-CG2 4.26Å |
| 1123 | D | 85.5 | Confident | 84.9 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -100.6 | -18.7 | -167 | -57.7 | -24.2 | 0 | 0 | 0 | 112.9 | T1119 | T1119-D1123 VanDerWaalsContact CG2-OD2 3.25Å; T1119-D1123 WeakPolarHBondContact CG2-OD2 3.34Å; T1119-D1123 VanDerWaalsContact O-CB 3.3Å; T1119-D1123 WeakPolarHBondContact O-CB 3.39Å; T1119-D1123 PolarHBondContact O-N 3.01Å |
| 1124 | Y | 88.1 | Confident | 84.9 | Confident | 110 Ų | 110 | 71.4 Ų | 71.4 | 43% | 0.431 | 36% | 0.361 | S | S | . | . | I | π-helix | trans | -126.2 | -57.7 | -173.8 | -172.4 | -97.9 | 0 | 0 | 0 | 114.4 | Y1120 R1128 | Y1120-Y1124 AromaticContact CD2-CD1 3.92Å; Y1120-Y1124 HydrophobicContact CD2-CD1 3.92Å; Y1120-Y1124 HydrophobicContact CD2-CG 4.45Å; Y1120-Y1124 AromaticContact CE2-CD1 3.4Å; Y1120-Y1124 HydrophobicContact CE2-CD1 3.4Å; Y1120-Y1124 VanDerWaalsContact CE2-CD1 3.4Å; Y1120-Y1124 AromaticContact CE2-CE1 3.86Å; Y1120-Y1124 HydrophobicContact CE2-CE1 3.86Å; Y1120-Y1124 HydrophobicContact CE2-CG 4.34Å; Y1120-Y1124 WeakPolarHBondContact O-CA 3.31Å; Y1120-Y1124 WeakPolarHBondContact O-CB 3.33Å; Y1120-Y1124 PolarHBondContact O-N 3.12Å; Y1120-Y1124 VanDerWaalsContact O-N 3.14Å; Y1124-R1128 VanDerWaalsContact CZ-NH2 3.31Å; Y1124-R1128 WeakPolarHBondContact O-CD 3.36Å; Y1124-R1128 VanDerWaalsContact O-CG 3.29Å; Y1124-R1128 WeakPolarHBondContact O-CG 3.26Å; Y1124-R1128 VanDerWaalsContact OH-CZ 3.31Å; Y1124-R1128 PolarHBondContact OH-NH1 3.01Å; Y1124-R1128 PolarHBondContact OH-NH2 3.28Å |
| 1125 | F | 88 | Confident | 84.9 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 7% | 0.066 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -78.7 | -55.7 | -168.3 | -174.4 | -97.2 | 0 | 0 | 0 | 113.6 | P1078 I1081 L1082 Y1120 L1121 R1128 Q1129 | P1078-F1125 HydrophobicContact CB-CE2 3.65Å; P1078-F1125 HydrophobicContact CB-CZ 3.85Å; P1078-F1125 HydrophobicContact CG-CD2 4.29Å; P1078-F1125 HydrophobicContact CG-CE2 3.68Å; P1078-F1125 HydrophobicContact CG-CZ 4.28Å; I1081-F1125 HydrophobicContact CB-CE1 3.83Å; I1081-F1125 HydrophobicContact CD1-CD1 3.82Å; I1081-F1125 HydrophobicContact CD1-CE1 3.76Å; I1081-F1125 HydrophobicContact CG1-CE1 4.38Å; I1081-F1125 HydrophobicContact CG2-CE1 3.84Å; L1082-F1125 HydrophobicContact CD1-CZ 4.13Å; L1082-F1125 HydrophobicContact CG-CZ 4.08Å; Y1120-F1125 HydrophobicContact CD1-CB 4.08Å; Y1120-F1125 HydrophobicContact CE1-CB 3.68Å; Y1120-F1125 HydrophobicContact CE1-CD2 4.2Å; Y1120-F1125 HydrophobicContact CE1-CG 4.06Å; Y1120-F1125 PolarHBondContact O-N 2.96Å; L1121-F1125 HydrophobicContact CD2-CB 4.2Å; L1121-F1125 HydrophobicContact CD2-CD1 4.01Å; L1121-F1125 HydrophobicContact CD2-CG 4.41Å; F1125-R1128 WeakPolarHBondContact O-CB 3.38Å; F1125-R1128 PolarHBondContact O-N 2.98Å; F1125-Q1129 HydrophobicContact CE1-CG 4.34Å |
| 1126 | L | 86.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | -177.8 | -61.2 | 171.7 | 0 | 0 | 0 | 113.3 | I1081 L1121 R1128 Q1129 L1131 I1136 Y1139 T1140 | I1081-L1126 HydrophobicContact CD1-CD2 4.39Å; I1081-L1126 HydrophobicContact CG2-CD2 4.22Å; L1121-L1126 HydrophobicContact CB-CD1 4.12Å; L1121-L1126 HydrophobicContact CB-CG 4.34Å; L1121-L1126 WeakPolarHBondContact O-CB 3.06Å; L1121-L1126 VanDerWaalsContact O-CG 3.28Å; L1121-L1126 WeakPolarHBondContact O-CG 3.21Å; L1121-L1126 PolarHBondContact O-N 3.31Å; L1126-R1128 PolarHBondContact O-N 3.39Å; L1126-Q1129 PolarHBondContact O-N 2.91Å; L1126-L1131 HydrophobicContact CB-CD1 4.45Å; L1126-L1131 HydrophobicContact CD2-CD1 3.98Å; L1126-I1136 HydrophobicContact CB-CD1 4.28Å; L1126-I1136 HydrophobicContact CB-CG1 4.01Å; L1126-I1136 HydrophobicContact CB-CG2 4.24Å; L1126-I1136 HydrophobicContact CD1-CG2 4.15Å; L1126-Y1139 HydrophobicContact CD1-CD1 4.23Å; L1126-T1140 HydrophobicContact CD1-CG2 4.01Å |
| 1127 | P | 85.3 | Confident | 85.5 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 38% | 0.377 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.5 | -31.3 | 174.1 | -26.5 | 35.3 | 0 | 0 | 0 | 113.6 | L1121 K1122 Q1129 Q1130 I1136 | L1121-P1127 WeakPolarHBondContact O-CD 3.5Å; K1122-P1127 WeakPolarHBondContact O-CD 3.36Å; K1122-P1127 WeakPolarHBondContact O-CG 3.43Å; P1127-Q1129 VanDerWaalsContact C-N 3.27Å; P1127-Q1129 PolarHBondContact O-N 3.17Å; P1127-Q1130 PolarHBondContact O-N 3.39Å; P1127-I1136 HydrophobicContact CG-CD1 4.23Å |
| 1128 | R | 87.4 | Confident | 85.6 | Confident | 158 Ų | 158 | 73.3 Ų | 73.3 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72.4 | -17.4 | 177.1 | -77.2 | 178.9 | 173.9 | -170 | 2.2 | 113.9 | Y1124 F1125 L1126 Q1130 | Y1124-R1128 VanDerWaalsContact CZ-NH2 3.31Å; Y1124-R1128 WeakPolarHBondContact O-CD 3.36Å; Y1124-R1128 VanDerWaalsContact O-CG 3.29Å; Y1124-R1128 WeakPolarHBondContact O-CG 3.26Å; Y1124-R1128 VanDerWaalsContact OH-CZ 3.31Å; Y1124-R1128 PolarHBondContact OH-NH1 3.01Å; Y1124-R1128 PolarHBondContact OH-NH2 3.28Å; F1125-R1128 WeakPolarHBondContact O-CB 3.38Å; F1125-R1128 PolarHBondContact O-N 2.98Å; L1126-R1128 PolarHBondContact O-N 3.39Å; R1128-Q1130 VanDerWaalsContact C-N 3.29Å |
| 1129 | Q | 84.5 | Confident | 85.8 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.4 | 177.8 | -55.7 | -55 | -35.4 | 0 | 0 | 113.4 | L1082 F1125 L1126 P1127 L1131 | L1082-Q1129 HydrophobicContact CD2-CG 4.33Å; F1125-Q1129 HydrophobicContact CE1-CG 4.34Å; L1126-Q1129 PolarHBondContact O-N 2.91Å; P1127-Q1129 VanDerWaalsContact C-N 3.27Å; P1127-Q1129 PolarHBondContact O-N 3.17Å; Q1129-L1131 HydrophobicContact CB-CD1 4.37Å; Q1129-L1131 HydrophobicContact CB-CG 4.37Å; Q1129-L1131 PolarHBondContact O-N 3.43Å |
| 1130 | Q | 80.8 | Confident | 85.8 | Confident | 189 Ų | 189 | 67.9 Ų | 67.9 | 88% | 0.883 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 24.9 | 179.1 | -55.1 | -178 | -4.7 | 0 | 0 | 114.7 | P1127 R1128 | P1127-Q1130 PolarHBondContact O-N 3.39Å; R1128-Q1130 VanDerWaalsContact C-N 3.29Å |
| 1131 | L | 79 | Confident | 85.8 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 19% | 0.194 | 35% | 0.348 | C | S | . | . | trans | -72.5 | 146.9 | 174.1 | -68.8 | 166.7 | 0 | 0 | 0 | 111.1 | L1126 Q1129 L1135 I1136 F1161 | L1126-L1131 HydrophobicContact CB-CD1 4.45Å; L1126-L1131 HydrophobicContact CD2-CD1 3.98Å; Q1129-L1131 HydrophobicContact CB-CD1 4.37Å; Q1129-L1131 HydrophobicContact CB-CG 4.37Å; Q1129-L1131 PolarHBondContact O-N 3.43Å; L1131-L1135 HydrophobicContact CD2-CD1 4.34Å; L1131-I1136 HydrophobicContact CB-CD1 4.33Å; L1131-I1136 HydrophobicContact CB-CG1 3.92Å; L1131-F1161 HydrophobicContact CD2-CE1 4.25Å; L1131-F1161 HydrophobicContact CD2-CZ 3.87Å | ||
| 1132 | S | 84.5 | Confident | 85.8 | Confident | 48 Ų | 48 | 69.3 Ų | 69.3 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | trans | -63 | 147.2 | 175.4 | 74.1 | 0 | 0 | 0 | 0 | 110.9 | E1134 L1135 I1136 | S1132-E1134 PolarHBondContact O-N 3.19Å; S1132-E1134 VanDerWaalsContact O-N 3.14Å; S1132-L1135 PolarHBondContact O-N 3.02Å; S1132-L1135 VanDerWaalsContact OG-CG 3.31Å; S1132-L1135 WeakPolarHBondContact OG-CG 3.33Å; S1132-L1135 PolarHBondContact OG-N 3.32Å; S1132-I1136 WeakPolarHBondContact O-CG1 3.25Å; S1132-I1136 PolarHBondContact O-N 3.48Å | ||
| 1133 | P | 82.6 | Confident | 86 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 69% | 0.688 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.1 | -28.8 | 180 | 21.9 | -32.2 | 0 | 0 | 0 | 112.6 | Q1137 | P1133-Q1137 WeakPolarHBondContact O-CB 3.34Å; P1133-Q1137 PolarHBondContact O-N 3.41Å |
| 1134 | E | 85.2 | Confident | 86.1 | Confident | 159 Ų | 159 | 65.9 Ų | 65.9 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -66.4 | -44.1 | 174.1 | -64.8 | 179.7 | -178.4 | 0 | 0 | 112.2 | S1132 Q1137 S1138 | S1132-E1134 PolarHBondContact O-N 3.19Å; S1132-E1134 VanDerWaalsContact O-N 3.14Å; E1134-Q1137 PolarHBondContact O-N 3.14Å; E1134-S1138 VanDerWaalsContact O-CB 3.28Å; E1134-S1138 WeakPolarHBondContact O-CB 3.43Å; E1134-S1138 PolarHBondContact O-N 2.76Å |
| 1135 | L | 84.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 62.5 Ų | 62.5 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 176.2 | -72 | 172.6 | 0 | 0 | 0 | 111.4 | L1131 S1132 S1138 Y1139 F1157 | L1131-L1135 HydrophobicContact CD2-CD1 4.34Å; S1132-L1135 PolarHBondContact O-N 3.02Å; S1132-L1135 VanDerWaalsContact OG-CG 3.31Å; S1132-L1135 WeakPolarHBondContact OG-CG 3.33Å; S1132-L1135 PolarHBondContact OG-N 3.32Å; L1135-S1138 PolarHBondContact O-N 2.74Å; L1135-Y1139 WeakPolarHBondContact O-CB 3.28Å; L1135-Y1139 PolarHBondContact O-N 2.74Å; L1135-F1157 HydrophobicContact CB-CE2 4.43Å; L1135-F1157 HydrophobicContact CD2-CE2 4.08Å |
| 1136 | I | 85.4 | Confident | 86.2 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 175.1 | -62.1 | 174.7 | 0 | 0 | 0 | 110.2 | L1126 P1127 L1131 S1132 T1140 | L1126-I1136 HydrophobicContact CB-CD1 4.28Å; L1126-I1136 HydrophobicContact CB-CG1 4.01Å; L1126-I1136 HydrophobicContact CB-CG2 4.24Å; L1126-I1136 HydrophobicContact CD1-CG2 4.15Å; P1127-I1136 HydrophobicContact CG-CD1 4.23Å; L1131-I1136 HydrophobicContact CB-CD1 4.33Å; L1131-I1136 HydrophobicContact CB-CG1 3.92Å; S1132-I1136 WeakPolarHBondContact O-CG1 3.25Å; S1132-I1136 PolarHBondContact O-N 3.48Å; I1136-T1140 HydrophobicContact CG2-CG2 4.42Å; I1136-T1140 WeakPolarHBondContact O-CB 3.48Å; I1136-T1140 VanDerWaalsContact O-CG2 3.26Å; I1136-T1140 WeakPolarHBondContact O-CG2 3.3Å; I1136-T1140 PolarHBondContact O-N 3.03Å; I1136-T1140 PolarHBondContact O-OG1 2.99Å |
| 1137 | Q | 87 | Confident | 86.4 | Confident | 103 Ų | 103 | 67 Ų | 67 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.9 | -169.6 | 67.9 | 17.3 | 0 | 0 | 111.4 | P1133 E1134 T1140 S1141 | P1133-Q1137 WeakPolarHBondContact O-CB 3.34Å; P1133-Q1137 PolarHBondContact O-N 3.41Å; E1134-Q1137 PolarHBondContact O-N 3.14Å; Q1137-T1140 PolarHBondContact O-OG1 3.41Å; Q1137-S1141 WeakPolarHBondContact O-CB 3.3Å; Q1137-S1141 PolarHBondContact O-N 2.89Å; Q1137-S1141 PolarHBondContact O-OG 3.12Å |
| 1138 | S | 88 | Confident | 86.6 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 177 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | E1134 L1135 T1140 S1141 A1142 F1153 | E1134-S1138 VanDerWaalsContact O-CB 3.28Å; E1134-S1138 WeakPolarHBondContact O-CB 3.43Å; E1134-S1138 PolarHBondContact O-N 2.76Å; L1135-S1138 PolarHBondContact O-N 2.74Å; S1138-T1140 PolarHBondContact O-N 3.4Å; S1138-S1141 PolarHBondContact O-N 3.34Å; S1138-S1141 PolarHBondContact O-OG 3.14Å; S1138-A1142 WeakPolarHBondContact O-CB 3.46Å; S1138-A1142 PolarHBondContact O-N 3.14Å; S1138-F1153 VanDerWaalsContact OG-CE2 3.27Å; S1138-F1153 WeakPolarHBondContact OG-CE2 3.44Å |
| 1139 | Y | 90 | Very high | 86.8 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 179.1 | -167.2 | -80.4 | 0 | 0 | 0 | 112.3 | L1107 L1126 L1135 S1141 A1142 L1143 F1150 F1153 V1154 F1157 | L1107-Y1139 WeakPolarHBondContact CD1-OH 3.21Å; L1126-Y1139 HydrophobicContact CD1-CD1 4.23Å; L1135-Y1139 WeakPolarHBondContact O-CB 3.28Å; L1135-Y1139 PolarHBondContact O-N 2.74Å; Y1139-S1141 VanDerWaalsContact C-N 3.33Å; Y1139-S1141 PolarHBondContact O-N 3.03Å; Y1139-A1142 PolarHBondContact O-N 2.65Å; Y1139-L1143 PolarHBondContact O-N 3.38Å; Y1139-F1150 HydrophobicContact CE1-CE2 4.33Å; Y1139-F1150 HydrophobicContact CE1-CZ 4.15Å; Y1139-F1153 AromaticContact CD2-CE1 3.73Å; Y1139-F1153 HydrophobicContact CD2-CE1 3.73Å; Y1139-F1153 HydrophobicContact CD2-CZ 4.5Å; Y1139-F1153 HydrophobicContact CE2-CE1 4.45Å; Y1139-F1153 HydrophobicContact CG-CE1 4.18Å; Y1139-V1154 HydrophobicContact CE2-CG2 4.43Å; Y1139-F1157 HydrophobicContact CD2-CD1 4.02Å; Y1139-F1157 HydrophobicContact CD2-CD2 4.3Å; Y1139-F1157 AromaticContact CD2-CE1 3.88Å; Y1139-F1157 HydrophobicContact CD2-CE1 3.88Å; Y1139-F1157 HydrophobicContact CD2-CE2 4.17Å; Y1139-F1157 HydrophobicContact CD2-CG 4.23Å; Y1139-F1157 AromaticContact CD2-CZ 3.96Å; Y1139-F1157 HydrophobicContact CD2-CZ 3.96Å; Y1139-F1157 HydrophobicContact CE2-CD1 4.13Å; Y1139-F1157 HydrophobicContact CE2-CE1 4.12Å |
| 1140 | T | 87.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.5 | -27.4 | 179.6 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | Y1118 K1122 L1126 I1136 Q1137 S1138 | Y1118-T1140 HydrophobicContact CE2-CG2 4.47Å; K1122-T1140 HydrophobicContact CB-CG2 4.26Å; L1126-T1140 HydrophobicContact CD1-CG2 4.01Å; I1136-T1140 HydrophobicContact CG2-CG2 4.42Å; I1136-T1140 WeakPolarHBondContact O-CB 3.48Å; I1136-T1140 VanDerWaalsContact O-CG2 3.26Å; I1136-T1140 WeakPolarHBondContact O-CG2 3.3Å; I1136-T1140 PolarHBondContact O-N 3.03Å; I1136-T1140 PolarHBondContact O-OG1 2.99Å; Q1137-T1140 PolarHBondContact O-OG1 3.41Å; S1138-T1140 PolarHBondContact O-N 3.4Å |
| 1141 | S | 87.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 57 Ų | 57 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.4 | -41 | 171.2 | 75 | 0 | 0 | 0 | 0 | 112.2 | Q1137 S1138 Y1139 L1143 K1144 | Q1137-S1141 WeakPolarHBondContact O-CB 3.3Å; Q1137-S1141 PolarHBondContact O-N 2.89Å; Q1137-S1141 PolarHBondContact O-OG 3.12Å; S1138-S1141 PolarHBondContact O-N 3.34Å; S1138-S1141 PolarHBondContact O-OG 3.14Å; Y1139-S1141 VanDerWaalsContact C-N 3.33Å; Y1139-S1141 PolarHBondContact O-N 3.03Å; S1141-L1143 VanDerWaalsContact C-N 3.3Å; S1141-L1143 PolarHBondContact O-N 3.09Å; S1141-K1144 WeakPolarHBondContact O-CB 3.36Å; S1141-K1144 PolarHBondContact O-N 3.19Å; S1141-K1144 VanDerWaalsContact O-N 3.12Å |
| 1142 | A | 88.6 | Confident | 88.3 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1138 Y1139 K1144 S1145 F1150 F1153 | S1138-A1142 WeakPolarHBondContact O-CB 3.46Å; S1138-A1142 PolarHBondContact O-N 3.14Å; Y1139-A1142 PolarHBondContact O-N 2.65Å; A1142-K1144 PolarHBondContact O-N 3.15Å; A1142-S1145 VanDerWaalsContact O-CB 3.3Å; A1142-S1145 WeakPolarHBondContact O-CB 3.14Å; A1142-S1145 PolarHBondContact O-N 2.91Å; A1142-S1145 PolarHBondContact O-OG 3.09Å; A1142-F1150 VanDerWaalsContact C-CD2 3.43Å; A1142-F1150 HydrophobicContact CB-CD2 3.94Å; A1142-F1150 HydrophobicContact CB-CE2 4.39Å; A1142-F1150 WeakPolarHBondContact O-CD2 3.32Å; A1142-F1153 HydrophobicContact CB-CB 4.03Å; A1142-F1153 HydrophobicContact CB-CD1 3.34Å; A1142-F1153 HydrophobicContact CB-CD2 3.91Å; A1142-F1153 HydrophobicContact CB-CE1 3.72Å; A1142-F1153 HydrophobicContact CB-CE2 4.23Å; A1142-F1153 HydrophobicContact CB-CG 3.45Å; A1142-F1153 VanDerWaalsContact CB-CG 3.45Å; A1142-F1153 HydrophobicContact CB-CZ 4.14Å |
| 1143 | L | 89.4 | Confident | 88.7 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.3 | -28.6 | 174.7 | -173.7 | 64.7 | 0 | 0 | 0 | 112.7 | L1107 H1108 Y1111 L1121 Y1139 S1141 F1150 | L1107-L1143 HydrophobicContact CB-CD1 4.26Å; H1108-L1143 PolarHBondContact CE1-O 3.45Å; H1108-L1143 PolarHBondContact ND1-O 3.37Å; Y1111-L1143 HydrophobicContact CD1-CG 4.45Å; Y1111-L1143 HydrophobicContact CD2-CD2 4.32Å; Y1111-L1143 HydrophobicContact CG-CD2 4.21Å; Y1111-L1143 HydrophobicContact CG-CG 4.19Å; L1121-L1143 HydrophobicContact CD1-CD2 4.05Å; Y1139-L1143 PolarHBondContact O-N 3.38Å; S1141-L1143 VanDerWaalsContact C-N 3.3Å; S1141-L1143 PolarHBondContact O-N 3.09Å; L1143-F1150 HydrophobicContact CB-CD2 4.49Å; L1143-F1150 HydrophobicContact CB-CE2 4.07Å; L1143-F1150 HydrophobicContact CB-CZ 4.39Å; L1143-F1150 HydrophobicContact CD1-CD1 4.26Å; L1143-F1150 HydrophobicContact CD1-CE1 3.66Å; L1143-F1150 HydrophobicContact CD1-CE2 4.08Å; L1143-F1150 HydrophobicContact CD1-CZ 3.57Å |
| 1144 | K | 87.2 | Confident | 89.2 | Confident | 108 Ų | 108 | 55 Ų | 55 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.1 | 176.1 | -62.3 | -175.9 | 175.9 | 176.4 | 0 | 114.1 | Y1111 Y1118 S1141 A1142 | Y1111-K1144 HydrophobicContact CE1-CG 4.17Å; Y1118-K1144 HydrophobicContact CE2-CD 4.45Å; S1141-K1144 WeakPolarHBondContact O-CB 3.36Å; S1141-K1144 PolarHBondContact O-N 3.19Å; S1141-K1144 VanDerWaalsContact O-N 3.12Å; A1142-K1144 PolarHBondContact O-N 3.15Å |
| 1145 | S | 88.7 | Confident | 89.4 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -75.5 | -176.4 | 178.8 | 76.3 | 0 | 0 | 0 | 0 | 111.7 | H1108 A1142 D1149 F1150 | H1108-S1145 PolarHBondContact CE1-O 2.73Å; A1142-S1145 VanDerWaalsContact O-CB 3.3Å; A1142-S1145 WeakPolarHBondContact O-CB 3.14Å; A1142-S1145 PolarHBondContact O-N 2.91Å; A1142-S1145 PolarHBondContact O-OG 3.09Å; S1145-D1149 WeakPolarHBondContact OG-CB 3.2Å; S1145-F1150 PolarHBondContact OG-N 2.99Å |
| 1146 | S | 90.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 51 Ų | 51 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | trans | -66.7 | 155 | 175.1 | 84.5 | 0 | 0 | 0 | 0 | 111.1 | K1148 D1149 F1150 | S1146-K1148 PolarHBondContact O-N 2.88Å; S1146-K1148 VanDerWaalsContact O-N 3.17Å; S1146-D1149 WeakPolarHBondContact CB-OD2 3.08Å; S1146-D1149 PolarHBondContact O-N 3.41Å; S1146-D1149 VanDerWaalsContact O-N 3.08Å; S1146-D1149 PolarHBondContact OG-N 3.18Å; S1146-D1149 PolarHBondContact OG-OD2 3.49Å; S1146-F1150 PolarHBondContact O-N 3.37Å | ||
| 1147 | L | 90.6 | Very high | 89.8 | Confident | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.3 | -39.4 | 178.2 | 175.3 | 61.8 | 0 | 0 | 0 | 112.8 | E1105 H1108 F1150 Q1151 | E1105-L1147 HydrophobicContact CB-CD1 3.95Å; E1105-L1147 HydrophobicContact CB-CD2 4.48Å; E1105-L1147 HydrophobicContact CG-CD1 4.23Å; E1105-L1147 HydrophobicContact CG-CD2 3.99Å; H1108-L1147 HydrophobicContact CB-CD1 4.09Å; L1147-F1150 PolarHBondContact O-N 3Å; L1147-Q1151 HydrophobicContact CD1-CG 4.18Å; L1147-Q1151 WeakPolarHBondContact O-CB 3.16Å; L1147-Q1151 VanDerWaalsContact O-CG 3.26Å; L1147-Q1151 WeakPolarHBondContact O-CG 3.22Å; L1147-Q1151 PolarHBondContact O-N 3.34Å |
| 1148 | K | 90.9 | Very high | 90 | Very high | 158 Ų | 158 | 46.1 Ų | 46.1 | 69% | 0.687 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.7 | -42.2 | 179.4 | -71.5 | -175.3 | -179.9 | 178.9 | 0 | 111.7 | S1146 Q1151 L1152 | S1146-K1148 PolarHBondContact O-N 2.88Å; S1146-K1148 VanDerWaalsContact O-N 3.17Å; K1148-Q1151 PolarHBondContact O-N 2.61Å; K1148-L1152 WeakPolarHBondContact O-CG 3.33Å; K1148-L1152 PolarHBondContact O-N 2.68Å |
| 1149 | D | 90.8 | Very high | 89.9 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 47% | 0.465 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.7 | -40 | 179.1 | -57.2 | -37.1 | 0 | 0 | 0 | 110.4 | S1145 S1146 L1152 F1153 | S1145-D1149 WeakPolarHBondContact OG-CB 3.2Å; S1146-D1149 WeakPolarHBondContact CB-OD2 3.08Å; S1146-D1149 PolarHBondContact O-N 3.41Å; S1146-D1149 VanDerWaalsContact O-N 3.08Å; S1146-D1149 PolarHBondContact OG-N 3.18Å; S1146-D1149 PolarHBondContact OG-OD2 3.49Å; D1149-L1152 PolarHBondContact O-N 2.75Å; D1149-F1153 WeakPolarHBondContact O-CB 3.44Å; D1149-F1153 PolarHBondContact O-N 2.67Å |
| 1150 | F | 92.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.4 | -173.4 | -124.4 | 0 | 0 | 0 | 112 | A1104 L1107 H1108 Y1139 A1142 L1143 S1145 S1146 L1147 F1153 V1154 | A1104-F1150 HydrophobicContact CB-CD1 3.87Å; A1104-F1150 HydrophobicContact CB-CE1 3.88Å; A1104-F1150 WeakPolarHBondContact O-CE1 3.42Å; L1107-F1150 HydrophobicContact CB-CE1 4.27Å; H1108-F1150 HydrophobicContact CB-CD1 4.25Å; Y1139-F1150 HydrophobicContact CE1-CE2 4.33Å; Y1139-F1150 HydrophobicContact CE1-CZ 4.15Å; A1142-F1150 VanDerWaalsContact C-CD2 3.43Å; A1142-F1150 HydrophobicContact CB-CD2 3.94Å; A1142-F1150 HydrophobicContact CB-CE2 4.39Å; A1142-F1150 WeakPolarHBondContact O-CD2 3.32Å; L1143-F1150 HydrophobicContact CB-CD2 4.49Å; L1143-F1150 HydrophobicContact CB-CE2 4.07Å; L1143-F1150 HydrophobicContact CB-CZ 4.39Å; L1143-F1150 HydrophobicContact CD1-CD1 4.26Å; L1143-F1150 HydrophobicContact CD1-CE1 3.66Å; L1143-F1150 HydrophobicContact CD1-CE2 4.08Å; L1143-F1150 HydrophobicContact CD1-CZ 3.57Å; S1145-F1150 PolarHBondContact OG-N 2.99Å; S1146-F1150 PolarHBondContact O-N 3.37Å; L1147-F1150 PolarHBondContact O-N 3Å; F1150-F1153 HydrophobicContact CD2-CD1 4.35Å; F1150-F1153 HydrophobicContact CE2-CD1 4.4Å; F1150-F1153 PolarHBondContact O-N 3.3Å; F1150-V1154 HydrophobicContact CD1-CG2 4.27Å; F1150-V1154 HydrophobicContact CD2-CG2 3.94Å; F1150-V1154 HydrophobicContact CE1-CG2 3.94Å; F1150-V1154 HydrophobicContact CE2-CG2 3.58Å; F1150-V1154 HydrophobicContact CG-CG2 4.27Å; F1150-V1154 HydrophobicContact CZ-CG2 3.58Å; F1150-V1154 WeakPolarHBondContact O-CB 3.44Å; F1150-V1154 WeakPolarHBondContact O-CG2 3.35Å; F1150-V1154 PolarHBondContact O-N 3.27Å |
| 1151 | Q | 93.1 | Very high | 89.1 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.7 | -77.1 | 172.2 | -20.7 | 0 | 0 | 112.2 | D1101 A1104 L1147 K1148 V1154 R1155 | D1101-Q1151 HydrophobicContact CB-CG 4.39Å; D1101-Q1151 PolarHBondContact O-NE2 3.39Å; A1104-Q1151 HydrophobicContact CB-CG 3.94Å; L1147-Q1151 HydrophobicContact CD1-CG 4.18Å; L1147-Q1151 WeakPolarHBondContact O-CB 3.16Å; L1147-Q1151 VanDerWaalsContact O-CG 3.26Å; L1147-Q1151 WeakPolarHBondContact O-CG 3.22Å; L1147-Q1151 PolarHBondContact O-N 3.34Å; K1148-Q1151 PolarHBondContact O-N 2.61Å; Q1151-V1154 PolarHBondContact O-N 2.86Å; Q1151-R1155 VanDerWaalsContact O-CG 3.3Å; Q1151-R1155 WeakPolarHBondContact O-CG 3.33Å; Q1151-R1155 PolarHBondContact O-N 2.64Å; Q1151-R1155 VanDerWaalsContact O-N 3.11Å |
| 1152 | L | 90.8 | Very high | 88.4 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 55% | 0.55 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -44 | 175.6 | -72.5 | 171 | 0 | 0 | 0 | 111.7 | K1148 D1149 R1155 S1156 | K1148-L1152 WeakPolarHBondContact O-CG 3.33Å; K1148-L1152 PolarHBondContact O-N 2.68Å; D1149-L1152 PolarHBondContact O-N 2.75Å; L1152-R1155 PolarHBondContact O-N 3.24Å; L1152-S1156 PolarHBondContact O-N 3.36Å; L1152-S1156 VanDerWaalsContact O-N 3.14Å; L1152-S1156 PolarHBondContact O-OG 3.43Å |
| 1153 | F | 92.5 | Very high | 88.4 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 18% | 0.18 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.8 | 172.2 | -93.4 | 0 | 0 | 0 | 112 | S1138 Y1139 A1142 D1149 F1150 R1155 S1156 F1157 | S1138-F1153 VanDerWaalsContact OG-CE2 3.27Å; S1138-F1153 WeakPolarHBondContact OG-CE2 3.44Å; Y1139-F1153 AromaticContact CD2-CE1 3.73Å; Y1139-F1153 HydrophobicContact CD2-CE1 3.73Å; Y1139-F1153 HydrophobicContact CD2-CZ 4.5Å; Y1139-F1153 HydrophobicContact CE2-CE1 4.45Å; Y1139-F1153 HydrophobicContact CG-CE1 4.18Å; A1142-F1153 HydrophobicContact CB-CB 4.03Å; A1142-F1153 HydrophobicContact CB-CD1 3.34Å; A1142-F1153 HydrophobicContact CB-CD2 3.91Å; A1142-F1153 HydrophobicContact CB-CE1 3.72Å; A1142-F1153 HydrophobicContact CB-CE2 4.23Å; A1142-F1153 HydrophobicContact CB-CG 3.45Å; A1142-F1153 VanDerWaalsContact CB-CG 3.45Å; A1142-F1153 HydrophobicContact CB-CZ 4.14Å; D1149-F1153 WeakPolarHBondContact O-CB 3.44Å; D1149-F1153 PolarHBondContact O-N 2.67Å; F1150-F1153 HydrophobicContact CD2-CD1 4.35Å; F1150-F1153 HydrophobicContact CE2-CD1 4.4Å; F1150-F1153 PolarHBondContact O-N 3.3Å; F1153-R1155 VanDerWaalsContact C-N 3.3Å; F1153-R1155 PolarHBondContact O-N 2.95Å; F1153-S1156 PolarHBondContact O-N 3.48Å; F1153-S1156 PolarHBondContact O-OG 3.33Å; F1153-F1157 HydrophobicContact CD1-CB 4.38Å; F1153-F1157 HydrophobicContact CE1-CB 3.97Å; F1153-F1157 HydrophobicContact CE1-CD2 4.07Å; F1153-F1157 HydrophobicContact CE1-CG 4.13Å; F1153-F1157 HydrophobicContact CZ-CB 4.14Å; F1153-F1157 AromaticContact CZ-CD2 3.75Å; F1153-F1157 HydrophobicContact CZ-CD2 3.75Å; F1153-F1157 HydrophobicContact CZ-CG 4.22Å; F1153-F1157 WeakPolarHBondContact O-CB 3.32Å; F1153-F1157 PolarHBondContact O-N 3.39Å |
| 1154 | V | 91.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -37.5 | -178.6 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | L1100 A1104 Y1139 F1150 Q1151 F1157 Y1158 | L1100-V1154 HydrophobicContact CD1-CG1 3.6Å; L1100-V1154 HydrophobicContact CD2-CG1 4Å; L1100-V1154 HydrophobicContact CG-CG1 3.72Å; A1104-V1154 HydrophobicContact CB-CB 4.43Å; A1104-V1154 HydrophobicContact CB-CG1 4.48Å; A1104-V1154 HydrophobicContact CB-CG2 4.25Å; Y1139-V1154 HydrophobicContact CE2-CG2 4.43Å; F1150-V1154 HydrophobicContact CD1-CG2 4.27Å; F1150-V1154 HydrophobicContact CD2-CG2 3.94Å; F1150-V1154 HydrophobicContact CE1-CG2 3.94Å; F1150-V1154 HydrophobicContact CE2-CG2 3.58Å; F1150-V1154 HydrophobicContact CG-CG2 4.27Å; F1150-V1154 HydrophobicContact CZ-CG2 3.58Å; F1150-V1154 WeakPolarHBondContact O-CB 3.44Å; F1150-V1154 WeakPolarHBondContact O-CG2 3.35Å; F1150-V1154 PolarHBondContact O-N 3.27Å; Q1151-V1154 PolarHBondContact O-N 2.86Å; V1154-F1157 PolarHBondContact O-N 3.29Å; V1154-Y1158 HydrophobicContact CG1-CD2 3.54Å; V1154-Y1158 HydrophobicContact CG1-CE2 3.5Å; V1154-Y1158 VanDerWaalsContact CG1-CE2 3.5Å; V1154-Y1158 VanDerWaalsContact O-CD2 3.23Å; V1154-Y1158 WeakPolarHBondContact O-CD2 3.43Å; V1154-Y1158 PolarHBondContact O-N 3.47Å |
| 1155 | R | 90.9 | Very high | 88.4 | Confident | 89 Ų | 89 | 63.8 Ų | 63.8 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.2 | -46.5 | 174.3 | -69.6 | 170.4 | -171.4 | -175.4 | 0.9 | 112 | L1100 D1101 Q1151 L1152 F1153 A1159 | L1100-R1155 HydrophobicContact CD2-CG 4.13Å; D1101-R1155 IonicContact OD1-CZ 2.74Å; D1101-R1155 VanDerWaalsContact OD1-CZ 3.32Å; D1101-R1155 IonicContact OD1-NE 2.69Å; D1101-R1155 PolarHBondContact OD1-NE 3.46Å; D1101-R1155 IonicContact OD1-NH2 2.77Å; D1101-R1155 PolarHBondContact OD1-NH2 3.13Å; D1101-R1155 IonicContact OD2-CZ 2.84Å; D1101-R1155 IonicContact OD2-NE 3.87Å; D1101-R1155 IonicContact OD2-NH2 2.71Å; D1101-R1155 PolarHBondContact OD2-NH2 2.87Å; Q1151-R1155 VanDerWaalsContact O-CG 3.3Å; Q1151-R1155 WeakPolarHBondContact O-CG 3.33Å; Q1151-R1155 PolarHBondContact O-N 2.64Å; Q1151-R1155 VanDerWaalsContact O-N 3.11Å; L1152-R1155 PolarHBondContact O-N 3.24Å; F1153-R1155 VanDerWaalsContact C-N 3.3Å; F1153-R1155 PolarHBondContact O-N 2.95Å; R1155-A1159 VanDerWaalsContact O-CB 3.27Å; R1155-A1159 WeakPolarHBondContact O-CB 3.47Å; R1155-A1159 PolarHBondContact O-N 2.98Å; R1155-A1159 VanDerWaalsContact O-N 3.12Å |
| 1156 | S | 88.5 | Confident | 88.4 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 177.1 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | L1152 F1153 Y1158 A1159 H1160 | L1152-S1156 PolarHBondContact O-N 3.36Å; L1152-S1156 VanDerWaalsContact O-N 3.14Å; L1152-S1156 PolarHBondContact O-OG 3.43Å; F1153-S1156 PolarHBondContact O-N 3.48Å; F1153-S1156 PolarHBondContact O-OG 3.33Å; S1156-Y1158 PolarHBondContact O-N 3.45Å; S1156-A1159 PolarHBondContact O-N 3.35Å; S1156-H1160 PolarHBondContact O-CE1 3.26Å; S1156-H1160 PolarHBondContact O-N 3.07Å; S1156-H1160 PolarHBondContact O-ND1 3.16Å |
| 1157 | F | 90 | Very high | 88.3 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.2 | -51.9 | 178.9 | -179.8 | -95.2 | 0 | 0 | 0 | 111.5 | L1135 Y1139 F1153 V1154 A1159 H1160 F1161 | L1135-F1157 HydrophobicContact CB-CE2 4.43Å; L1135-F1157 HydrophobicContact CD2-CE2 4.08Å; Y1139-F1157 HydrophobicContact CD2-CD1 4.02Å; Y1139-F1157 HydrophobicContact CD2-CD2 4.3Å; Y1139-F1157 AromaticContact CD2-CE1 3.88Å; Y1139-F1157 HydrophobicContact CD2-CE1 3.88Å; Y1139-F1157 HydrophobicContact CD2-CE2 4.17Å; Y1139-F1157 HydrophobicContact CD2-CG 4.23Å; Y1139-F1157 AromaticContact CD2-CZ 3.96Å; Y1139-F1157 HydrophobicContact CD2-CZ 3.96Å; Y1139-F1157 HydrophobicContact CE2-CD1 4.13Å; Y1139-F1157 HydrophobicContact CE2-CE1 4.12Å; F1153-F1157 HydrophobicContact CD1-CB 4.38Å; F1153-F1157 HydrophobicContact CE1-CB 3.97Å; F1153-F1157 HydrophobicContact CE1-CD2 4.07Å; F1153-F1157 HydrophobicContact CE1-CG 4.13Å; F1153-F1157 HydrophobicContact CZ-CB 4.14Å; F1153-F1157 AromaticContact CZ-CD2 3.75Å; F1153-F1157 HydrophobicContact CZ-CD2 3.75Å; F1153-F1157 HydrophobicContact CZ-CG 4.22Å; F1153-F1157 WeakPolarHBondContact O-CB 3.32Å; F1153-F1157 PolarHBondContact O-N 3.39Å; V1154-F1157 PolarHBondContact O-N 3.29Å; F1157-A1159 PolarHBondContact O-N 2.95Å; F1157-H1160 PolarHBondContact O-N 3.35Å; F1157-F1161 AromaticContact CD1-CE2 3.97Å; F1157-F1161 HydrophobicContact CD1-CE2 3.97Å; F1157-F1161 HydrophobicContact CE1-CD2 4.49Å; F1157-F1161 AromaticContact CE1-CE2 3.56Å; F1157-F1161 HydrophobicContact CE1-CE2 3.56Å; F1157-F1161 HydrophobicContact CE1-CZ 4.17Å; F1157-F1161 HydrophobicContact CE2-CE2 4.28Å; F1157-F1161 HydrophobicContact CG-CE2 4.49Å; F1157-F1161 AromaticContact CZ-CE2 3.73Å; F1157-F1161 HydrophobicContact CZ-CE2 3.73Å; F1157-F1161 HydrophobicContact CZ-CZ 4Å; F1157-F1161 VanDerWaalsContact O-CD2 3.26Å; F1157-F1161 WeakPolarHBondContact O-CD2 3.44Å; F1157-F1161 WeakPolarHBondContact O-CE2 3.37Å |
| 1158 | Y | 90.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.6 | -26.3 | 179.1 | -69.5 | -60.8 | 0 | 0 | 0 | 113.4 | I1081 P1084 I1085 L1100 V1154 S1156 H1160 F1161 H1162 | I1081-Y1158 PolarHBondContact O-OH 3.49Å; P1084-Y1158 HydrophobicContact CB-CD1 3.91Å; P1084-Y1158 HydrophobicContact CB-CD2 3.7Å; P1084-Y1158 HydrophobicContact CB-CE1 3.89Å; P1084-Y1158 HydrophobicContact CB-CE2 3.62Å; P1084-Y1158 HydrophobicContact CB-CG 3.84Å; P1084-Y1158 HydrophobicContact CG-CD2 4.37Å; P1084-Y1158 HydrophobicContact CG-CE2 3.85Å; I1085-Y1158 HydrophobicContact CD1-CE1 4.3Å; I1085-Y1158 HydrophobicContact CG1-CD1 4.01Å; I1085-Y1158 HydrophobicContact CG1-CE1 3.65Å; L1100-Y1158 HydrophobicContact CD1-CD2 3.74Å; L1100-Y1158 HydrophobicContact CD1-CE2 3.84Å; L1100-Y1158 HydrophobicContact CD2-CD2 4.22Å; V1154-Y1158 HydrophobicContact CG1-CD2 3.54Å; V1154-Y1158 HydrophobicContact CG1-CE2 3.5Å; V1154-Y1158 VanDerWaalsContact CG1-CE2 3.5Å; V1154-Y1158 VanDerWaalsContact O-CD2 3.23Å; V1154-Y1158 WeakPolarHBondContact O-CD2 3.43Å; V1154-Y1158 PolarHBondContact O-N 3.47Å; S1156-Y1158 PolarHBondContact O-N 3.45Å; Y1158-H1160 PolarHBondContact O-N 3.4Å; Y1158-H1160 VanDerWaalsContact O-N 3.14Å; Y1158-F1161 HydrophobicContact CD1-CD2 4.33Å; Y1158-F1161 PolarHBondContact O-N 3.21Å; Y1158-H1162 PolarHBondContact O-CD2 3.11Å; Y1158-H1162 PolarHBondContact O-N 3.16Å |
| 1159 | A | 85.7 | Confident | 87.9 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -10.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1091 R1155 S1156 F1157 H1162 | L1091-A1159 HydrophobicContact CD1-CB 3.9Å; L1091-A1159 VanDerWaalsContact CD1-N 3.32Å; R1155-A1159 VanDerWaalsContact O-CB 3.27Å; R1155-A1159 WeakPolarHBondContact O-CB 3.47Å; R1155-A1159 PolarHBondContact O-N 2.98Å; R1155-A1159 VanDerWaalsContact O-N 3.12Å; S1156-A1159 PolarHBondContact O-N 3.35Å; F1157-A1159 PolarHBondContact O-N 2.95Å; A1159-H1162 VanDerWaalsContact O-OXT 3.07Å |
| 1160 | H | 81.4 | Confident | 87.7 | Confident | 162 Ų | 162 | 58 Ų | 58 | 75% | 0.75 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -13.2 | 171.2 | -67 | 81.6 | 0 | 0 | 0 | 113 | S1156 F1157 Y1158 | S1156-H1160 PolarHBondContact O-CE1 3.26Å; S1156-H1160 PolarHBondContact O-N 3.07Å; S1156-H1160 PolarHBondContact O-ND1 3.16Å; F1157-H1160 PolarHBondContact O-N 3.35Å; Y1158-H1160 PolarHBondContact O-N 3.4Å; Y1158-H1160 VanDerWaalsContact O-N 3.14Å |
| 1161 | F | 79.5 | Confident | 87.3 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 40% | 0.395 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -19.1 | 177.6 | -66.3 | -89.6 | 0 | 0 | 0 | 112.8 | L1131 F1157 Y1158 | L1131-F1161 HydrophobicContact CD2-CE1 4.25Å; L1131-F1161 HydrophobicContact CD2-CZ 3.87Å; F1157-F1161 AromaticContact CD1-CE2 3.97Å; F1157-F1161 HydrophobicContact CD1-CE2 3.97Å; F1157-F1161 HydrophobicContact CE1-CD2 4.49Å; F1157-F1161 AromaticContact CE1-CE2 3.56Å; F1157-F1161 HydrophobicContact CE1-CE2 3.56Å; F1157-F1161 HydrophobicContact CE1-CZ 4.17Å; F1157-F1161 HydrophobicContact CE2-CE2 4.28Å; F1157-F1161 HydrophobicContact CG-CE2 4.49Å; F1157-F1161 AromaticContact CZ-CE2 3.73Å; F1157-F1161 HydrophobicContact CZ-CE2 3.73Å; F1157-F1161 HydrophobicContact CZ-CZ 4Å; F1157-F1161 VanDerWaalsContact O-CD2 3.26Å; F1157-F1161 WeakPolarHBondContact O-CD2 3.44Å; F1157-F1161 WeakPolarHBondContact O-CE2 3.37Å; Y1158-F1161 HydrophobicContact CD1-CD2 4.33Å; Y1158-F1161 PolarHBondContact O-N 3.21Å |
| 1162 | H | 73.4 | Confident | 86.8 | Confident | 111 Ų | 111 | 65.7 Ų | 65.7 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | trans | -100.3 | 0 | 173.1 | -70.9 | -86 | 0 | 0 | 0 | 109.6 | P1084 S1086 F1089 Y1158 A1159 | P1084-H1162 PolarHBondContact O-NE2 2.73Å; S1086-H1162 PolarHBondContact O-CE1 2.88Å; S1086-H1162 VanDerWaalsContact O-CE1 3.25Å; F1089-H1162 PolarHBondContact O-CE1 2.76Å; F1089-H1162 PolarHBondContact O-NE2 2.89Å; Y1158-H1162 PolarHBondContact O-CD2 3.11Å; Y1158-H1162 PolarHBondContact O-N 3.16Å; A1159-H1162 VanDerWaalsContact O-OXT 3.07Å |
Retrieved 1,162 of 1,162 residues in 662.7 ms
(Link to these results)