| 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 | 41.2 | Very low | 66.2 | Low | 244 Ų | 244 | 88.5 Ų | 88.5 | 100% | 1.202 | 51% | 0.511 | S | S | * | . | 0 | 124.5 | 0 | -72.7 | 169.9 | -175.2 | 0 | 0 | 107.5 | S3 | M1-S3 PolarHBondContact O-N 3.17Š| |||
| 2 | A | 47.9 | Very low | 67.2 | Low | 66 Ų | 66 | 87.4 Ų | 87.4 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | trans | -67.4 | 132.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109 | I7 | A2-I7 HydrophobicContact CB-CD1 4.22Å; A2-I7 HydrophobicContact CB-CG1 4.01Å | ||
| 3 | S | 62.6 | Low | 67.8 | Low | 46 Ų | 46 | 80.7 Ų | 80.7 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | trans | -56.5 | 140.4 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | M1 R5 T6 I7 | M1-S3 PolarHBondContact O-N 3.17Å; S3-R5 PolarHBondContact O-N 3.16Å; S3-T6 WeakPolarHBondContact O-CB 3.29Å; S3-T6 PolarHBondContact O-N 3.1Å; S3-I7 PolarHBondContact O-N 3.18Å | ||
| 4 | P | 69.5 | Low | 68.8 | Low | 96 Ų | 96 | 83 Ų | 83 | 62% | 0.623 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -50.3 | -30.7 | 178.7 | -26.1 | 31.8 | 0 | 0 | 0 | 113.2 | T8 | P4-T8 WeakPolarHBondContact O-CB 3.15Å; P4-T8 PolarHBondContact O-N 3.36Å; P4-T8 PolarHBondContact O-OG1 3.19Å |
| 5 | R | 63.9 | Low | 69.7 | Low | 104 Ų | 104 | 81.5 Ų | 81.5 | 39% | 0.392 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 175.4 | -64.8 | -168.6 | 173.1 | 110.2 | 18.9 | 112.4 | S3 I7 T8 I9 E142 E146 | S3-R5 PolarHBondContact O-N 3.16Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.09Å; R5-T8 PolarHBondContact O-N 2.97Å; R5-I9 WeakPolarHBondContact O-CB 3.49Å; R5-I9 VanDerWaalsContact O-CD1 3.26Å; R5-I9 WeakPolarHBondContact O-CD1 3.07Å; R5-I9 WeakPolarHBondContact O-CG1 3.21Å; R5-I9 PolarHBondContact O-N 3.43Å; R5-E142 WeakPolarHBondContact CD-OE1 3.47Å; R5-E142 IonicContact CZ-OE1 3.52Å; R5-E142 IonicContact NE-OE1 3.55Å; R5-E142 IonicContact NH1-OE1 2.83Å; R5-E142 PolarHBondContact NH1-OE1 2.83Å; R5-E146 IonicContact CZ-OE1 3.37Å; R5-E146 IonicContact NH1-OE1 2.67Å; R5-E146 PolarHBondContact NH1-OE1 3.34Å; R5-E146 IonicContact NH2-OE1 3.4Å; R5-E146 PolarHBondContact NH2-OE1 2.92Å |
| 6 | T | 68.1 | Low | 70.2 | Confident | 74 Ų | 74 | 77 Ų | 77 | 45% | 0.454 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 177.6 | -48 | 0 | 0 | 0 | 0 | 110.8 | S3 I9 V10 | S3-T6 WeakPolarHBondContact O-CB 3.29Å; S3-T6 PolarHBondContact O-N 3.1Å; T6-I9 PolarHBondContact O-N 3.28Å; T6-V10 WeakPolarHBondContact O-CB 3.43Å; T6-V10 VanDerWaalsContact O-CG2 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.42Å; T6-V10 PolarHBondContact O-N 3.38Å |
| 7 | I | 74.3 | Confident | 70.7 | Confident | 100 Ų | 100 | 72.5 Ų | 72.5 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 178.2 | -61.9 | 166.2 | 0 | 0 | 0 | 110.3 | A2 S3 R5 I9 V10 A11 | A2-I7 HydrophobicContact CB-CD1 4.22Å; A2-I7 HydrophobicContact CB-CG1 4.01Å; S3-I7 PolarHBondContact O-N 3.18Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.09Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 2.76Å; I7-V10 PolarHBondContact O-N 3.31Å; I7-A11 WeakPolarHBondContact O-CB 3.44Å; I7-A11 PolarHBondContact O-N 3.44Å |
| 8 | T | 75.3 | Confident | 71.5 | Confident | 81 Ų | 81 | 74.4 Ų | 74.4 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 178.6 | -54 | 0 | 0 | 0 | 0 | 111.5 | P4 R5 A11 L12 | P4-T8 WeakPolarHBondContact O-CB 3.15Å; P4-T8 PolarHBondContact O-N 3.36Å; P4-T8 PolarHBondContact O-OG1 3.19Å; R5-T8 PolarHBondContact O-N 2.97Å; T8-A11 PolarHBondContact O-N 3.36Å; T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 VanDerWaalsContact O-CB 3.31Å; T8-L12 WeakPolarHBondContact O-CB 3.29Å; T8-L12 PolarHBondContact O-N 3.13Å |
| 9 | I | 72.5 | Confident | 72 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 17% | 0.174 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 178.5 | -66.8 | 157.4 | 0 | 0 | 0 | 111.1 | R5 T6 I7 L12 S13 R128 I131 | R5-I9 WeakPolarHBondContact O-CB 3.49Å; R5-I9 VanDerWaalsContact O-CD1 3.26Å; R5-I9 WeakPolarHBondContact O-CD1 3.07Å; R5-I9 WeakPolarHBondContact O-CG1 3.21Å; R5-I9 PolarHBondContact O-N 3.43Å; T6-I9 PolarHBondContact O-N 3.28Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 2.76Å; I9-L12 PolarHBondContact O-N 3.21Å; I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 3.13Å; I9-S13 PolarHBondContact O-OG 3.43Å; I9-R128 HydrophobicContact CG2-CG 3.97Å; I9-I131 HydrophobicContact CD1-CG2 3.42Å; I9-I131 VanDerWaalsContact CD1-CG2 3.42Å; I9-I131 HydrophobicContact CG1-CG2 4.28Å |
| 10 | V | 72.6 | Confident | 72.2 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | T6 I7 L12 S13 F14 | T6-V10 WeakPolarHBondContact O-CB 3.43Å; T6-V10 VanDerWaalsContact O-CG2 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.42Å; T6-V10 PolarHBondContact O-N 3.38Å; I7-V10 PolarHBondContact O-N 3.31Å; V10-L12 PolarHBondContact O-N 3.19Å; V10-S13 WeakPolarHBondContact O-CB 3.21Å; V10-S13 PolarHBondContact O-N 3.29Å; V10-F14 PolarHBondContact O-N 3.04Å |
| 11 | A | 79.9 | Confident | 72.6 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I7 T8 S13 F14 A15 | I7-A11 WeakPolarHBondContact O-CB 3.44Å; I7-A11 PolarHBondContact O-N 3.44Å; T8-A11 PolarHBondContact O-N 3.36Å; A11-S13 VanDerWaalsContact C-N 3.33Å; A11-S13 PolarHBondContact O-N 3.33Å; A11-F14 PolarHBondContact O-N 3.43Å; A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 2.97Å |
| 12 | L | 78.3 | Confident | 74.4 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 40% | 0.398 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | 172.8 | -102.3 | 153.8 | 0 | 0 | 0 | 111.4 | T8 I9 V10 F14 A15 L16 | T8-L12 HydrophobicContact CG2-CD1 4.15Å; T8-L12 VanDerWaalsContact O-CB 3.31Å; T8-L12 WeakPolarHBondContact O-CB 3.29Å; T8-L12 PolarHBondContact O-N 3.13Å; I9-L12 PolarHBondContact O-N 3.21Å; V10-L12 PolarHBondContact O-N 3.19Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 2.84Å; L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 VanDerWaalsContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.05Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 2.73Å |
| 13 | S | 75.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | -179.6 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | I9 V10 A11 G17 R128 | I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 3.13Å; I9-S13 PolarHBondContact O-OG 3.43Å; V10-S13 WeakPolarHBondContact O-CB 3.21Å; V10-S13 PolarHBondContact O-N 3.29Å; A11-S13 VanDerWaalsContact C-N 3.33Å; A11-S13 PolarHBondContact O-N 3.33Å; S13-G17 PolarHBondContact O-N 3.38Å; S13-R128 VanDerWaalsContact OG-CZ 3.25Å; S13-R128 PolarHBondContact OG-NE 3.39Å; S13-R128 PolarHBondContact OG-NH2 3.35Å |
| 14 | F | 81.4 | Confident | 75.9 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.2 | -48.3 | 179.4 | -173.4 | -92.2 | 0 | 0 | 0 | 111.3 | V10 A11 L12 L16 G17 L18 T80 | V10-F14 PolarHBondContact O-N 3.04Å; A11-F14 PolarHBondContact O-N 3.43Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 3.43Å; F14-L16 PolarHBondContact O-N 3.3Å; F14-G17 PolarHBondContact O-N 3.46Å; F14-L18 PolarHBondContact O-N 2.84Å; F14-T80 HydrophobicContact CD2-CG2 3.54Å; F14-T80 HydrophobicContact CE2-CG2 3.34Å; F14-T80 HydrophobicContact CG-CG2 4.35Å; F14-T80 HydrophobicContact CZ-CG2 4Å |
| 15 | A | 82.9 | Confident | 76 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 50% | 0.496 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A11 L12 L18 F19 | A11-A15 WeakPolarHBondContact O-CB 3.33Å; A11-A15 PolarHBondContact O-N 2.97Å; L12-A15 PolarHBondContact O-N 2.84Å; A15-L18 PolarHBondContact O-N 3.4Å; A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.96Å |
| 16 | L | 78.2 | Confident | 76.3 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.9 | -72.3 | 171.5 | 0 | 0 | 0 | 112.3 | L12 F14 L18 F19 F20 L79 F121 L124 | L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 VanDerWaalsContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.05Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 2.73Å; F14-L16 PolarHBondContact O-N 3.3Å; L16-L18 PolarHBondContact O-N 3.04Å; L16-F19 WeakPolarHBondContact O-CB 3.16Å; L16-F19 PolarHBondContact O-N 2.84Å; L16-F20 PolarHBondContact O-N 3.48Å; L16-L79 HydrophobicContact CB-CD2 4.36Å; L16-F121 HydrophobicContact CD2-CD1 3.44Å; L16-F121 VanDerWaalsContact CD2-CD1 3.44Å; L16-F121 HydrophobicContact CD2-CE1 3.47Å; L16-F121 VanDerWaalsContact CD2-CE1 3.47Å; L16-L124 HydrophobicContact CD1-CB 4.29Å; L16-L124 HydrophobicContact CD2-CB 4.37Å; L16-L124 HydrophobicContact CD2-CD1 4.04Å |
| 17 | G | 78.8 | Confident | 76 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S13 F14 F19 F20 V21 T80 | S13-G17 PolarHBondContact O-N 3.38Å; F14-G17 PolarHBondContact O-N 3.46Å; G17-F19 VanDerWaalsContact C-N 3.31Å; G17-F19 PolarHBondContact O-N 3.21Å; G17-F20 PolarHBondContact O-N 2.87Å; G17-V21 WeakPolarHBondContact O-CG2 3.16Å; G17-V21 PolarHBondContact O-N 2.84Å; G17-T80 VanDerWaalsContact C-OG1 3.28Å; G17-T80 WeakPolarHBondContact CA-OG1 3.43Å |
| 18 | L | 83.6 | Confident | 75.2 | Confident | 107 Ų | 107 | 58 Ų | 58 | 56% | 0.56 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.9 | -42.4 | 175.5 | -150.5 | 87.7 | 0 | 0 | 0 | 111.5 | F14 A15 L16 F20 V21 F22 T80 | F14-L18 PolarHBondContact O-N 2.84Å; A15-L18 PolarHBondContact O-N 3.4Å; L16-L18 PolarHBondContact O-N 3.04Å; L18-F20 PolarHBondContact O-N 2.95Å; L18-V21 PolarHBondContact O-N 3.5Å; L18-F22 PolarHBondContact O-N 3.32Å; L18-T80 PolarHBondContact N-OG1 2.83Å |
| 19 | F | 81.4 | Confident | 74.1 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 178.3 | -153.7 | -72.9 | 0 | 0 | 0 | 112.4 | A15 L16 G17 F22 M23 H117 F121 | A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.96Å; L16-F19 WeakPolarHBondContact O-CB 3.16Å; L16-F19 PolarHBondContact O-N 2.84Å; G17-F19 VanDerWaalsContact C-N 3.31Å; G17-F19 PolarHBondContact O-N 3.21Å; F19-F22 PolarHBondContact O-N 2.89Å; F19-M23 HydrophobicContact CD1-CG 3.74Å; F19-M23 HydrophobicContact CE1-CG 3.4Å; F19-M23 HydrophobicContact CE1-SD 4.36Å; F19-M23 PolarHBondContact O-N 3.3Å; F19-H117 AromaticContact CE1-CD2 3.73Å; F19-H117 AromaticContact CE1-CE1 3.47Å; F19-H117 VanDerWaalsContact CE1-CE1 3.47Å; F19-H117 WeakPolarHBondContact CE1-CE1 3.23Å; F19-H117 AromaticContact CE1-NE2 2.89Å; F19-H117 WeakPolarHBondContact CE1-NE2 3.43Å; F19-H117 AromaticContact CZ-CD2 4Å; F19-H117 AromaticContact CZ-CE1 3.56Å; F19-H117 AromaticContact CZ-NE2 2.9Å; F19-H117 WeakPolarHBondContact CZ-NE2 3.28Å; F19-F121 HydrophobicContact CB-CE1 4.41Å; F19-F121 HydrophobicContact CB-CZ 4.02Å; F19-F121 HydrophobicContact CD1-CD2 4.46Å; F19-F121 HydrophobicContact CD1-CE1 4.09Å; F19-F121 AromaticContact CD1-CE2 3.2Å; F19-F121 HydrophobicContact CD1-CE2 3.2Å; F19-F121 AromaticContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD2-CZ 4.09Å; F19-F121 AromaticContact CE1-CE2 3.36Å; F19-F121 HydrophobicContact CE1-CE2 3.36Å; F19-F121 AromaticContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE2-CZ 4.36Å; F19-F121 HydrophobicContact CG-CE1 4.19Å; F19-F121 HydrophobicContact CG-CE2 4.09Å; F19-F121 AromaticContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CG-CZ 3.4Å; F19-F121 VanDerWaalsContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CZ-CE2 4.34Å; F19-F121 HydrophobicContact CZ-CZ 4.05Å |
| 20 | F | 76.1 | Confident | 73 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 1% | 0.013 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 175.9 | -105.5 | -91.2 | 0 | 0 | 0 | 112.8 | L16 G17 L18 F22 G24 E72 L94 M98 F121 L125 | L16-F20 PolarHBondContact O-N 3.48Å; G17-F20 PolarHBondContact O-N 2.87Å; L18-F20 PolarHBondContact O-N 2.95Å; F20-F22 VanDerWaalsContact C-N 3.31Å; F20-F22 PolarHBondContact O-N 3.48Å; F20-G24 WeakPolarHBondContact O-CA 3.31Å; F20-G24 PolarHBondContact O-N 3.3Å; F20-E72 HydrophobicContact CD1-CB 3.91Å; F20-E72 HydrophobicContact CD1-CG 3.89Å; F20-E72 HydrophobicContact CE1-CB 4.41Å; F20-E72 HydrophobicContact CE1-CG 3.87Å; F20-L94 HydrophobicContact CD1-CD2 3.54Å; F20-L94 HydrophobicContact CD2-CD2 4.43Å; F20-L94 HydrophobicContact CE1-CD2 3.33Å; F20-L94 HydrophobicContact CE2-CD2 4.26Å; F20-L94 HydrophobicContact CG-CD2 4.08Å; F20-L94 HydrophobicContact CZ-CD2 3.72Å; F20-M98 HydrophobicContact CE1-CE 4.28Å; F20-M98 HydrophobicContact CE1-CG 3.94Å; F20-M98 HydrophobicContact CE1-SD 3.5Å; F20-M98 WeakPolarHBondContact CE1-SD 3.31Å; F20-M98 HydrophobicContact CZ-CE 3.68Å; F20-M98 HydrophobicContact CZ-CG 3.59Å; F20-M98 HydrophobicContact CZ-SD 3.42Å; F20-M98 WeakPolarHBondContact CZ-SD 3.3Å; F20-F121 HydrophobicContact CE2-CB 3.85Å; F20-F121 HydrophobicContact CE2-CD1 4.33Å; F20-F121 HydrophobicContact CE2-CD2 4.41Å; F20-F121 AromaticContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CZ-CB 4.19Å; F20-L125 HydrophobicContact CE2-CD1 3.74Å; F20-L125 HydrophobicContact CZ-CD1 3.7Å |
| 21 | V | 80.1 | Confident | 71.6 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 172.9 | 173 | 0 | 0 | 0 | 0 | 109.5 | G17 L18 G24 T25 V73 V77 | G17-V21 WeakPolarHBondContact O-CG2 3.16Å; G17-V21 PolarHBondContact O-N 2.84Å; L18-V21 PolarHBondContact O-N 3.5Å; V21-G24 PolarHBondContact O-N 3.04Å; V21-T25 WeakPolarHBondContact O-CG2 3.13Å; V21-T25 PolarHBondContact O-N 2.85Å; V21-T25 PolarHBondContact O-OG1 3.48Å; V21-V73 HydrophobicContact CG1-CG1 4.44Å; V21-V77 HydrophobicContact CG2-CG2 3.79Å |
| 22 | F | 79.1 | Confident | 70.2 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 60% | 0.601 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.9 | -50.2 | 179.8 | -156.7 | -101.9 | 0 | 0 | 0 | 112.3 | L18 F19 F20 G24 T25 I26 | L18-F22 PolarHBondContact O-N 3.32Å; F19-F22 PolarHBondContact O-N 2.89Å; F20-F22 VanDerWaalsContact C-N 3.31Å; F20-F22 PolarHBondContact O-N 3.48Å; F22-G24 PolarHBondContact O-N 3.43Å; F22-T25 PolarHBondContact O-N 2.93Å; F22-T25 PolarHBondContact O-OG1 3.13Å; F22-I26 HydrophobicContact CD1-CD1 3.65Å; F22-I26 HydrophobicContact CE1-CD1 3.61Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.15Å |
| 23 | M | 72.3 | Confident | 68.6 | Low | 51 Ų | 51 | 70.3 Ų | 70.3 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 177.3 | -83.3 | -65 | -87.1 | 0 | 0 | 113.5 | F19 I26 K27 | F19-M23 HydrophobicContact CD1-CG 3.74Å; F19-M23 HydrophobicContact CE1-CG 3.4Å; F19-M23 HydrophobicContact CE1-SD 4.36Å; F19-M23 PolarHBondContact O-N 3.3Å; M23-I26 PolarHBondContact O-N 2.87Å; M23-I26 HydrophobicContact SD-CD1 4.48Å; M23-K27 WeakPolarHBondContact O-CB 3.17Å; M23-K27 PolarHBondContact O-N 3.28Å |
| 24 | G | 69.5 | Low | 67.2 | Low | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F20 V21 F22 K27 L28 | F20-G24 WeakPolarHBondContact O-CA 3.31Å; F20-G24 PolarHBondContact O-N 3.3Å; V21-G24 PolarHBondContact O-N 3.04Å; F22-G24 PolarHBondContact O-N 3.43Å; G24-K27 PolarHBondContact O-N 3.2Å; G24-L28 WeakPolarHBondContact O-CD1 3.27Å; G24-L28 PolarHBondContact O-N 2.86Å |
| 25 | T | 73.4 | Confident | 65.7 | Low | 69 Ų | 69 | 78 Ų | 78 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 173.3 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | V21 F22 L28 T29 V73 | V21-T25 WeakPolarHBondContact O-CG2 3.13Å; V21-T25 PolarHBondContact O-N 2.85Å; V21-T25 PolarHBondContact O-OG1 3.48Å; F22-T25 PolarHBondContact O-N 2.93Å; F22-T25 PolarHBondContact O-OG1 3.13Å; T25-L28 WeakPolarHBondContact O-CB 3.38Å; T25-L28 PolarHBondContact O-N 3.11Å; T25-T29 PolarHBondContact O-N 3.18Å; T25-T29 PolarHBondContact O-OG1 3.36Å; T25-V73 HydrophobicContact CG2-CG2 4.16Å |
| 26 | I | 70.2 | Confident | 64.1 | Low | 84 Ų | 84 | 75.9 Ų | 75.9 | 43% | 0.431 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 174.3 | -68.1 | 172.5 | 0 | 0 | 0 | 111 | F22 M23 L28 T29 | F22-I26 HydrophobicContact CD1-CD1 3.65Å; F22-I26 HydrophobicContact CE1-CD1 3.61Å; F22-I26 WeakPolarHBondContact O-CG1 3.45Å; F22-I26 PolarHBondContact O-N 3.15Å; M23-I26 PolarHBondContact O-N 2.87Å; M23-I26 HydrophobicContact SD-CD1 4.48Å; I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 PolarHBondContact O-N 3.23Å; I26-T29 WeakPolarHBondContact O-CB 3.46Å; I26-T29 PolarHBondContact O-N 3.22Å |
| 27 | K | 60.4 | Low | 62.6 | Low | 54 Ų | 54 | 82.5 Ų | 82.5 | 24% | 0.235 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.2 | -27.1 | 175.9 | -84 | 175.6 | 173 | 178.7 | 0 | 113.4 | M23 G24 T29 E72 | M23-K27 WeakPolarHBondContact O-CB 3.17Å; M23-K27 PolarHBondContact O-N 3.28Å; G24-K27 PolarHBondContact O-N 3.2Å; K27-T29 PolarHBondContact O-N 2.73Å; K27-E72 WeakPolarHBondContact CD-OE2 2.88Å; K27-E72 VanDerWaalsContact NZ-CD 3.3Å; K27-E72 IonicContact NZ-OE1 3.71Å; K27-E72 PolarHBondContact NZ-OE1 3.23Å; K27-E72 IonicContact NZ-OE2 3.28Å; K27-E72 PolarHBondContact NZ-OE2 3.48Å; K27-E72 VanDerWaalsContact NZ-OE2 3.11Å |
| 28 | L | 58.6 | Low | 61.3 | Low | 88 Ų | 88 | 85.7 Ų | 85.7 | 46% | 0.461 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.1 | -22 | 170.6 | -109.4 | 80.3 | 0 | 0 | 0 | 112.2 | G24 T25 I26 | G24-L28 WeakPolarHBondContact O-CD1 3.27Å; G24-L28 PolarHBondContact O-N 2.86Å; T25-L28 WeakPolarHBondContact O-CB 3.38Å; T25-L28 PolarHBondContact O-N 3.11Å; I26-L28 VanDerWaalsContact C-N 3.29Å; I26-L28 PolarHBondContact O-N 3.23Å |
| 29 | T | 52 | Low | 59.7 | Low | 87 Ų | 87 | 81.5 Ų | 81.5 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -74.5 | 127.8 | -179.9 | -57.6 | 0 | 0 | 0 | 0 | 110.5 | T25 I26 K27 R31 | T25-T29 PolarHBondContact O-N 3.18Å; T25-T29 PolarHBondContact O-OG1 3.36Å; I26-T29 WeakPolarHBondContact O-CB 3.46Å; I26-T29 PolarHBondContact O-N 3.22Å; K27-T29 PolarHBondContact O-N 2.73Å; T29-R31 PolarHBondContact O-N 3.49Å |
| 30 | P | 49.9 | Very low | 58.2 | Low | 108 Ų | 108 | 78.5 Ų | 78.5 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -79.5 | 32.8 | -156.7 | 32.7 | -37.6 | 0 | 0 | 0 | 115.6 | L32 | P30-L32 PolarHBondContact O-N 3.24Š|
| 31 | R | 42.3 | Very low | 57 | Low | 239 Ų | 239 | 86.1 Ų | 86.1 | 90% | 0.902 | 43% | 0.432 | S | S | * | . | trans | -77.4 | 1.8 | -172.2 | -142.6 | -167.6 | -178.1 | 176.9 | 2.4 | 115.6 | T29 | T29-R31 PolarHBondContact O-N 3.49Š| ||
| 32 | L | 50.3 | Low | 55.9 | Low | 48 Ų | 48 | 91.5 Ų | 91.5 | 25% | 0.251 | 45% | 0.448 | S | S | . | . | trans | -126.5 | 55.7 | -173.8 | -93.7 | 141.9 | 0 | 0 | 0 | 110.6 | P30 D35 A36 R65 | P30-L32 PolarHBondContact O-N 3.24Å; L32-D35 HydrophobicContact CD2-CB 4.48Å; L32-A36 WeakPolarHBondContact O-CB 3.12Å; L32-R65 PolarHBondContact O-NH1 2.84Å | ||
| 33 | S | 45.8 | Very low | 54.6 | Low | 95 Ų | 95 | 85.2 Ų | 85.2 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -80.1 | -28.8 | -171.4 | 158.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 34 | K | 44.8 | Very low | 53.7 | Low | 179 Ų | 179 | 86.5 Ų | 86.5 | 78% | 0.778 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -98.9 | -48.1 | -174.5 | -72.6 | -177.2 | 177.4 | 177.6 | 0 | 113.7 | A36 Y37 | K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 2.89Å; K34-Y37 PolarHBondContact O-N 2.98Å |
| 35 | D | 49.7 | Very low | 53 | Low | 95 Ų | 95 | 94.6 Ų | 94.6 | 51% | 0.508 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 178.2 | -59 | -58.4 | 0 | 0 | 0 | 112.5 | L32 Y37 S38 E39 | L32-D35 HydrophobicContact CD2-CB 4.48Å; D35-Y37 VanDerWaalsContact C-N 3.26Å; D35-Y37 PolarHBondContact O-N 2.83Å; D35-S38 PolarHBondContact O-N 3.3Å; D35-S38 PolarHBondContact O-OG 2.8Å; D35-E39 VanDerWaalsContact O-CB 3.31Å; D35-E39 WeakPolarHBondContact O-CB 3.38Å; D35-E39 WeakPolarHBondContact O-CG 3.43Å; D35-E39 PolarHBondContact O-N 3.33Å |
| 36 | A | 49.9 | Very low | 52.1 | Low | 17 Ų | 17 | 93.7 Ų | 93.7 | 14% | 0.14 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -67.2 | -26.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L32 K34 M40 | L32-A36 WeakPolarHBondContact O-CB 3.12Å; K34-A36 VanDerWaalsContact C-N 3.32Å; K34-A36 PolarHBondContact O-N 2.89Å; A36-M40 WeakPolarHBondContact O-CB 3.37Å; A36-M40 WeakPolarHBondContact O-CG 3.35Å; A36-M40 PolarHBondContact O-N 3.38Å |
| 37 | Y | 46.4 | Very low | 51.3 | Low | 148 Ų | 148 | 94 Ų | 94 | 58% | 0.58 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -76.5 | -39.4 | -178.5 | -157.8 | -93.8 | 0 | 0 | 0 | 111.5 | K34 D35 K41 | K34-Y37 PolarHBondContact O-N 2.98Å; D35-Y37 VanDerWaalsContact C-N 3.26Å; D35-Y37 PolarHBondContact O-N 2.83Å; Y37-K41 PolarHBondContact O-N 3.11Å |
| 38 | S | 50.7 | Low | 50.9 | Low | 68 Ų | 68 | 92.9 Ų | 92.9 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.5 | -42.3 | 174.5 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | D35 M40 K41 R42 | D35-S38 PolarHBondContact O-N 3.3Å; D35-S38 PolarHBondContact O-OG 2.8Å; S38-M40 VanDerWaalsContact C-N 3.33Å; S38-M40 PolarHBondContact O-N 3.44Å; S38-K41 PolarHBondContact O-N 3.38Å; S38-R42 PolarHBondContact O-N 3.03Å |
| 39 | E | 51.7 | Low | 50.7 | Low | 18 Ų | 18 | 97.8 Ų | 97.8 | 8% | 0.084 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -50.6 | -53.1 | 170.8 | -81.5 | -94.6 | 157.8 | 0 | 0 | 111.2 | D35 K41 R42 A43 H105 V108 | D35-E39 VanDerWaalsContact O-CB 3.31Å; D35-E39 WeakPolarHBondContact O-CB 3.38Å; D35-E39 WeakPolarHBondContact O-CG 3.43Å; D35-E39 PolarHBondContact O-N 3.33Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 2.81Å; E39-R42 WeakPolarHBondContact O-CB 3.3Å; E39-R42 PolarHBondContact O-N 2.81Å; E39-R42 VanDerWaalsContact O-N 3.15Å; E39-A43 WeakPolarHBondContact O-CB 3.15Å; E39-A43 PolarHBondContact O-N 2.97Å; E39-H105 IonicContact OE1-CD2 3.68Å; E39-V108 HydrophobicContact CB-CG1 4.32Å; E39-V108 HydrophobicContact CB-CG2 3.99Å; E39-V108 HydrophobicContact CG-CB 3.97Å; E39-V108 HydrophobicContact CG-CG1 3.54Å; E39-V108 HydrophobicContact CG-CG2 3.92Å; E39-V108 WeakPolarHBondContact OE1-CB 3.33Å; E39-V108 WeakPolarHBondContact OE1-CG1 3.49Å; E39-V108 VanDerWaalsContact OE2-CG2 3.31Å; E39-V108 WeakPolarHBondContact OE2-CG2 3.42Å |
| 40 | M | 49.2 | Very low | 50.6 | Low | 19 Ų | 19 | 97.5 Ų | 97.5 | 9% | 0.094 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -66.9 | -32.3 | -175.9 | -84.5 | -116.2 | 19.9 | 0 | 0 | 114 | A36 S38 R42 A43 Y44 S61 L64 | A36-M40 WeakPolarHBondContact O-CB 3.37Å; A36-M40 WeakPolarHBondContact O-CG 3.35Å; A36-M40 PolarHBondContact O-N 3.38Å; S38-M40 VanDerWaalsContact C-N 3.33Å; S38-M40 PolarHBondContact O-N 3.44Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 2.75Å; M40-A43 WeakPolarHBondContact O-CB 3.08Å; M40-Y44 VanDerWaalsContact O-CB 3.27Å; M40-Y44 WeakPolarHBondContact O-CB 3.31Å; M40-Y44 PolarHBondContact O-N 3.2Å; M40-S61 WeakPolarHBondContact CB-OG 2.84Å; M40-S61 VanDerWaalsContact CE-CA 3.41Å; M40-S61 WeakPolarHBondContact SD-CA 3.19Å; M40-S61 VanDerWaalsContact SD-CB 3.59Å; M40-L64 HydrophobicContact CE-CB 3.69Å; M40-L64 HydrophobicContact CE-CD1 4.37Å; M40-L64 HydrophobicContact CE-CD2 3.72Å; M40-L64 HydrophobicContact CE-CG 4.13Å; M40-L64 HydrophobicContact SD-CB 3.3Å; M40-L64 WeakPolarHBondContact SD-CB 3.34Å; M40-L64 HydrophobicContact SD-CD2 3.8Å; M40-L64 HydrophobicContact SD-CG 4.15Å |
| 41 | K | 51.7 | Low | 50.2 | Low | 163 Ų | 163 | 96.6 Ų | 96.6 | 71% | 0.709 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.1 | -34.3 | 175.9 | -157.9 | 176.4 | -175.7 | -179.9 | 0 | 111.2 | Y37 S38 E39 K45 | Y37-K41 PolarHBondContact O-N 3.11Å; S38-K41 PolarHBondContact O-N 3.38Å; E39-K41 VanDerWaalsContact C-N 3.34Å; E39-K41 PolarHBondContact O-N 2.81Å; K41-K45 PolarHBondContact O-N 2.61Å |
| 42 | R | 55.7 | Low | 50.4 | Low | 155 Ų | 155 | 90.2 Ų | 90.2 | 59% | 0.585 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -74.2 | -45.4 | 176.6 | -132.2 | -179.8 | -172 | -177.4 | 8 | 111.5 | S38 E39 M40 Y44 K45 S46 L107 V108 | S38-R42 PolarHBondContact O-N 3.03Å; E39-R42 WeakPolarHBondContact O-CB 3.3Å; E39-R42 PolarHBondContact O-N 2.81Å; E39-R42 VanDerWaalsContact O-N 3.15Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 2.75Å; R42-Y44 PolarHBondContact O-N 3.14Å; R42-K45 WeakPolarHBondContact O-CB 3.49Å; R42-K45 PolarHBondContact O-N 3.31Å; R42-S46 PolarHBondContact O-N 3.28Å; R42-L107 PolarHBondContact NH1-O 3.43Å; R42-V108 HydrophobicContact CB-CG2 4.31Å |
| 43 | A | 52.1 | Low | 50.3 | Low | 4 Ų | 4 | 90.3 Ų | 90.3 | 3% | 0.033 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -52.7 | -49.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E39 M40 K45 S46 Y47 F104 | E39-A43 WeakPolarHBondContact O-CB 3.15Å; E39-A43 PolarHBondContact O-N 2.97Å; M40-A43 WeakPolarHBondContact O-CB 3.08Å; A43-K45 PolarHBondContact O-N 3.35Å; A43-S46 PolarHBondContact O-N 3.18Å; A43-S46 VanDerWaalsContact O-N 3.13Å; A43-Y47 PolarHBondContact O-N 3.4Å; A43-F104 HydrophobicContact CB-CD1 3.28Å; A43-F104 HydrophobicContact CB-CE1 3.14Å; A43-F104 HydrophobicContact CB-CG 4.37Å; A43-F104 HydrophobicContact CB-CZ 4.1Å |
| 44 | Y | 53 | Low | 50.3 | Low | 78 Ų | 78 | 88.1 Ų | 88.1 | 31% | 0.306 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.5 | -35 | 179.5 | -158.4 | -91 | 0 | 0 | 0 | 111.9 | M40 R42 A48 | M40-Y44 VanDerWaalsContact O-CB 3.27Å; M40-Y44 WeakPolarHBondContact O-CB 3.31Å; M40-Y44 PolarHBondContact O-N 3.2Å; R42-Y44 PolarHBondContact O-N 3.14Å; Y44-A48 WeakPolarHBondContact O-CB 3.4Å; Y44-A48 PolarHBondContact O-N 3.18Å |
| 45 | K | 55 | Low | 50.3 | Low | 170 Ų | 170 | 86.7 Ų | 86.7 | 74% | 0.739 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.7 | -34.4 | 178.2 | -149 | 177 | -171.3 | -175.8 | 0 | 112.2 | K41 R42 A43 | K41-K45 PolarHBondContact O-N 2.61Å; R42-K45 WeakPolarHBondContact O-CB 3.49Å; R42-K45 PolarHBondContact O-N 3.31Å; A43-K45 PolarHBondContact O-N 3.35Å |
| 46 | S | 55.6 | Low | 50.1 | Low | 51 Ų | 51 | 91.9 Ų | 91.9 | 36% | 0.357 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -77.1 | -41.2 | 175.2 | -143.5 | 0 | 0 | 0 | 0 | 111.6 | R42 A43 K49 A50 | R42-S46 PolarHBondContact O-N 3.28Å; A43-S46 PolarHBondContact O-N 3.18Å; A43-S46 VanDerWaalsContact O-N 3.13Å; S46-K49 WeakPolarHBondContact O-CB 3.24Å; S46-K49 PolarHBondContact O-N 3Å; S46-A50 PolarHBondContact O-N 3.32Å |
| 47 | Y | 52.9 | Low | 49.9 | Very low | 91 Ų | 91 | 97.4 Ų | 97.4 | 36% | 0.357 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 175.6 | -105.9 | -87.2 | 0 | 0 | 0 | 113.4 | A43 K49 A50 L51 L54 F104 | A43-Y47 PolarHBondContact O-N 3.4Å; Y47-K49 PolarHBondContact O-N 3.43Å; Y47-A50 PolarHBondContact O-N 3.05Å; Y47-A50 VanDerWaalsContact O-N 3.11Å; Y47-L51 PolarHBondContact O-N 3.5Å; Y47-L54 HydrophobicContact CD1-CD2 3.54Å; Y47-L54 HydrophobicContact CE1-CD2 4.05Å; Y47-L54 HydrophobicContact CG-CD2 4.34Å; Y47-F104 AromaticContact CD2-CE1 3.66Å; Y47-F104 HydrophobicContact CD2-CE1 3.66Å; Y47-F104 AromaticContact CD2-CZ 3.57Å; Y47-F104 HydrophobicContact CD2-CZ 3.57Å; Y47-F104 AromaticContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE2 4.07Å; Y47-F104 AromaticContact CE2-CZ 3.12Å; Y47-F104 HydrophobicContact CE2-CZ 3.12Å |
| 48 | A | 51.6 | Low | 49.9 | Very low | 30 Ų | 30 | 93.2 Ų | 93.2 | 25% | 0.248 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64.6 | -18 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y44 K55 | Y44-A48 WeakPolarHBondContact O-CB 3.4Å; Y44-A48 PolarHBondContact O-N 3.18Å; A48-K55 HydrophobicContact CB-CG 4.48Å |
| 49 | K | 53.7 | Low | 49.9 | Very low | 191 Ų | 191 | 91.5 Ų | 91.5 | 83% | 0.83 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -85 | -32.2 | 174.5 | -144.1 | -179.5 | -174.8 | -174 | 0 | 112 | S46 Y47 | S46-K49 WeakPolarHBondContact O-CB 3.24Å; S46-K49 PolarHBondContact O-N 3Å; Y47-K49 PolarHBondContact O-N 3.43Å |
| 50 | A | 50.5 | Low | 50 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 66% | 0.661 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -87.7 | -28 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S46 Y47 | S46-A50 PolarHBondContact O-N 3.32Å; Y47-A50 PolarHBondContact O-N 3.05Å; Y47-A50 VanDerWaalsContact O-N 3.11Å |
| 51 | L | 42.1 | Very low | 49.9 | Very low | 89 Ų | 89 | 93.6 Ų | 93.6 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | trans | -140.6 | 96.8 | -177.3 | -94.8 | 150.4 | 0 | 0 | 0 | 110.5 | Y47 G53 L54 | Y47-L51 PolarHBondContact O-N 3.5Å; L51-G53 PolarHBondContact O-N 3.05Å; L51-G53 VanDerWaalsContact O-N 3.13Å; L51-L54 PolarHBondContact O-N 3.38Å | ||
| 52 | P | 47 | Very low | 50 | Low | 106 Ų | 106 | 90.5 Ų | 90.5 | 69% | 0.688 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -20.2 | 178.3 | 21.9 | -30.7 | 0 | 0 | 0 | 113.4 | K55 | P52-K55 WeakPolarHBondContact O-CB 3.25Š|
| 53 | G | 46.3 | Very low | 50.1 | Low | 49 Ų | 49 | 87.5 Ų | 87.5 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -31.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L51 K55 K56 | L51-G53 PolarHBondContact O-N 3.05Å; L51-G53 VanDerWaalsContact O-N 3.13Å; G53-K55 PolarHBondContact O-N 3.27Å; G53-K56 PolarHBondContact O-N 3.48Å |
| 54 | L | 46.9 | Very low | 50.5 | Low | 50 Ų | 50 | 89 Ų | 89 | 26% | 0.262 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -68.7 | -27.7 | 177.8 | -111.2 | 70.9 | 0 | 0 | 0 | 112.2 | Y47 L51 K56 M57 | Y47-L54 HydrophobicContact CD1-CD2 3.54Å; Y47-L54 HydrophobicContact CE1-CD2 4.05Å; Y47-L54 HydrophobicContact CG-CD2 4.34Å; L51-L54 PolarHBondContact O-N 3.38Å; L54-K56 PolarHBondContact O-N 2.85Å; L54-M57 PolarHBondContact O-N 3.4Å; L54-M57 VanDerWaalsContact O-N 3.1Å |
| 55 | K | 44.5 | Very low | 50.8 | Low | 149 Ų | 149 | 88.9 Ų | 88.9 | 65% | 0.648 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -62.6 | -28.1 | 177.3 | -159.9 | -178.7 | -179.1 | -170.2 | 0 | 112.4 | A48 P52 G53 | A48-K55 HydrophobicContact CB-CG 4.48Å; P52-K55 WeakPolarHBondContact O-CB 3.25Å; G53-K55 PolarHBondContact O-N 3.27Å |
| 56 | K | 45.4 | Very low | 51.3 | Low | 204 Ų | 204 | 87.5 Ų | 87.5 | 89% | 0.887 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -76.9 | -18.8 | 176.2 | -100.3 | -168.7 | 176.5 | -170.9 | 0 | 113.7 | G53 L54 | G53-K56 PolarHBondContact O-N 3.48Å; L54-K56 PolarHBondContact O-N 2.85Å |
| 57 | M | 46 | Very low | 51.8 | Low | 133 Ų | 133 | 88.6 Ų | 88.6 | 66% | 0.655 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -101.5 | -0.6 | -166.5 | -153.6 | 152.9 | 77.2 | 0 | 0 | 114.8 | L54 I59 | L54-M57 PolarHBondContact O-N 3.4Å; L54-M57 VanDerWaalsContact O-N 3.1Å; M57-I59 VanDerWaalsContact C-N 3.31Å; M57-I59 HydrophobicContact CB-CD1 4.46Å; M57-I59 HydrophobicContact CB-CG1 4.19Å; M57-I59 HydrophobicContact CE-CD1 3.68Å; M57-I59 HydrophobicContact CE-CG1 4.44Å; M57-I59 HydrophobicContact CG-CG1 4.31Å; M57-I59 PolarHBondContact O-N 2.98Å; M57-I59 VanDerWaalsContact O-N 3.16Å |
| 58 | G | 46.5 | Very low | 52.6 | Low | 60 Ų | 60 | 85.9 Ų | 85.9 | 62% | 0.619 | 47% | 0.472 | S | S | * | . | trans | 57 | 36 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S60 | G58-S60 PolarHBondContact O-N 2.92Š| ||
| 59 | I | 49.8 | Very low | 53.4 | Low | 32 Ų | 32 | 84.5 Ų | 84.5 | 16% | 0.164 | 46% | 0.461 | C | S | . | . | trans | -75.5 | 110.4 | -170.6 | -53.7 | 179.7 | 0 | 0 | 0 | 110.5 | M57 L63 L64 | M57-I59 VanDerWaalsContact C-N 3.31Å; M57-I59 HydrophobicContact CB-CD1 4.46Å; M57-I59 HydrophobicContact CB-CG1 4.19Å; M57-I59 HydrophobicContact CE-CD1 3.68Å; M57-I59 HydrophobicContact CE-CG1 4.44Å; M57-I59 HydrophobicContact CG-CG1 4.31Å; M57-I59 PolarHBondContact O-N 2.98Å; M57-I59 VanDerWaalsContact O-N 3.16Å; I59-L63 HydrophobicContact CG2-CB 3.89Å; I59-L64 HydrophobicContact CG2-CD1 3.87Å | ||
| 60 | S | 53.6 | Low | 54.4 | Low | 57 Ų | 57 | 78.5 Ų | 78.5 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | trans | -65.5 | 154.8 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 113.4 | G58 V62 L63 L64 | G58-S60 PolarHBondContact O-N 2.92Å; S60-V62 PolarHBondContact O-N 3.19Å; S60-V62 VanDerWaalsContact O-N 3.13Å; S60-L63 WeakPolarHBondContact O-CB 2.86Å; S60-L63 PolarHBondContact O-N 3.24Å; S60-L64 PolarHBondContact O-N 3.03Å | ||
| 61 | S | 48.1 | Very low | 55.5 | Low | 23 Ų | 23 | 77.4 Ų | 77.4 | 16% | 0.161 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.2 | -25.1 | -178.1 | -48.2 | 0 | 0 | 0 | 0 | 115.8 | M40 | M40-S61 WeakPolarHBondContact CB-OG 2.84Å; M40-S61 VanDerWaalsContact CE-CA 3.41Å; M40-S61 WeakPolarHBondContact SD-CA 3.19Å; M40-S61 VanDerWaalsContact SD-CB 3.59Å |
| 62 | V | 53.5 | Low | 57.1 | Low | 99 Ų | 99 | 73.3 Ų | 73.3 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -76.4 | -35.2 | 177.4 | -173 | 0 | 0 | 0 | 0 | 110.5 | S60 K66 | S60-V62 PolarHBondContact O-N 3.19Å; S60-V62 VanDerWaalsContact O-N 3.13Å; V62-K66 VanDerWaalsContact O-CB 3.29Å; V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 PolarHBondContact O-N 3.47Å; V62-K66 VanDerWaalsContact O-N 3.09Å |
| 63 | L | 57.8 | Low | 58.6 | Low | 91 Ų | 91 | 70.1 Ų | 70.1 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.6 | -39.3 | 178.6 | -96.6 | 87.9 | 0 | 0 | 0 | 111.8 | I59 S60 K66 I67 | I59-L63 HydrophobicContact CG2-CB 3.89Å; S60-L63 WeakPolarHBondContact O-CB 2.86Å; S60-L63 PolarHBondContact O-N 3.24Å; L63-K66 PolarHBondContact O-N 3.49Å; L63-I67 HydrophobicContact CB-CD1 4.4Å; L63-I67 VanDerWaalsContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CB 2.92Å; L63-I67 WeakPolarHBondContact O-CD1 3.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.41Å |
| 64 | L | 60.3 | Low | 60.2 | Low | 36 Ų | 36 | 69.4 Ų | 69.4 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | -178.7 | -132.4 | 80.4 | 0 | 0 | 0 | 111.7 | M40 I59 S60 K66 I67 I68 F104 | M40-L64 HydrophobicContact CE-CB 3.69Å; M40-L64 HydrophobicContact CE-CD1 4.37Å; M40-L64 HydrophobicContact CE-CD2 3.72Å; M40-L64 HydrophobicContact CE-CG 4.13Å; M40-L64 HydrophobicContact SD-CB 3.3Å; M40-L64 WeakPolarHBondContact SD-CB 3.34Å; M40-L64 HydrophobicContact SD-CD2 3.8Å; M40-L64 HydrophobicContact SD-CG 4.15Å; I59-L64 HydrophobicContact CG2-CD1 3.87Å; S60-L64 PolarHBondContact O-N 3.03Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.28Å; L64-I67 PolarHBondContact O-N 2.8Å; L64-I68 HydrophobicContact CD2-CD1 4.46Å; L64-I68 HydrophobicContact CG-CD1 4.38Å; L64-I68 VanDerWaalsContact O-CB 3.31Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 WeakPolarHBondContact O-CD1 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.3Å; L64-F104 HydrophobicContact CD2-CE2 4.14Å; L64-F104 HydrophobicContact CD2-CZ 3.96Å |
| 65 | R | 59.8 | Low | 61.4 | Low | 76 Ų | 76 | 67.7 Ų | 67.7 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 172.9 | 171.7 | 173.3 | -85.4 | 159 | 0.5 | 111.2 | L32 G69 | L32-R65 PolarHBondContact O-NH1 2.84Å; R65-G69 PolarHBondContact O-N 2.8Å |
| 66 | K | 65.4 | Low | 63 | Low | 140 Ų | 140 | 60.6 Ų | 60.6 | 61% | 0.609 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | -179.8 | -155.8 | 172.2 | 178.1 | 178.1 | 0 | 110.4 | V62 L63 L64 S70 | V62-K66 VanDerWaalsContact O-CB 3.29Å; V62-K66 WeakPolarHBondContact O-CB 3.35Å; V62-K66 PolarHBondContact O-N 3.47Å; V62-K66 VanDerWaalsContact O-N 3.09Å; L63-K66 PolarHBondContact O-N 3.49Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.28Å; K66-S70 VanDerWaalsContact O-CB 3.27Å; K66-S70 WeakPolarHBondContact O-CB 3.31Å; K66-S70 PolarHBondContact O-N 2.86Å; K66-S70 PolarHBondContact O-OG 3.39Å |
| 67 | I | 66.5 | Low | 64.6 | Low | 75 Ų | 75 | 53.7 Ų | 53.7 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 176.8 | -71 | 165.8 | 0 | 0 | 0 | 110.7 | L63 L64 S70 L71 | L63-I67 HydrophobicContact CB-CD1 4.4Å; L63-I67 VanDerWaalsContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CB 2.92Å; L63-I67 WeakPolarHBondContact O-CD1 3.3Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.41Å; L64-I67 PolarHBondContact O-N 2.8Å; I67-S70 WeakPolarHBondContact CA-OG 3.42Å; I67-S70 PolarHBondContact O-N 2.67Å; I67-S70 PolarHBondContact O-OG 3.14Å; I67-L71 HydrophobicContact CG2-CD1 3.7Å; I67-L71 WeakPolarHBondContact O-CB 3.41Å; I67-L71 VanDerWaalsContact O-CD1 3.28Å; I67-L71 WeakPolarHBondContact O-CD1 3.17Å; I67-L71 PolarHBondContact O-N 3.47Å |
| 68 | I | 69.1 | Low | 66.1 | Low | 34 Ų | 34 | 49.9 Ų | 49.9 | 17% | 0.174 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 178.9 | -70.6 | 162.5 | 0 | 0 | 0 | 110.3 | L64 S70 L71 E72 V97 V101 | L64-I68 HydrophobicContact CD2-CD1 4.46Å; L64-I68 HydrophobicContact CG-CD1 4.38Å; L64-I68 VanDerWaalsContact O-CB 3.31Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 WeakPolarHBondContact O-CD1 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.42Å; L64-I68 PolarHBondContact O-N 3.3Å; I68-S70 PolarHBondContact O-N 3.39Å; I68-L71 PolarHBondContact O-N 2.85Å; I68-E72 WeakPolarHBondContact O-CG 3.49Å; I68-E72 PolarHBondContact O-N 3.42Å; I68-V97 HydrophobicContact CG2-CG1 4.17Å; I68-V101 HydrophobicContact CD1-CG2 4.22Å; I68-V101 HydrophobicContact CG1-CG2 4.5Å; I68-V101 HydrophobicContact CG2-CG2 3.48Å; I68-V101 VanDerWaalsContact CG2-CG2 3.48Å |
| 69 | G | 68.5 | Low | 67.3 | Low | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R65 E72 V73 | R65-G69 PolarHBondContact O-N 2.8Å; G69-E72 PolarHBondContact O-N 2.85Å; G69-V73 WeakPolarHBondContact O-CG2 3.44Å; G69-V73 PolarHBondContact O-N 2.86Å |
| 70 | S | 75 | Confident | 68.6 | Low | 64 Ų | 64 | 46.8 Ų | 46.8 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.9 | -30.5 | 173.6 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | K66 I67 I68 G74 | K66-S70 VanDerWaalsContact O-CB 3.27Å; K66-S70 WeakPolarHBondContact O-CB 3.31Å; K66-S70 PolarHBondContact O-N 2.86Å; K66-S70 PolarHBondContact O-OG 3.39Å; I67-S70 WeakPolarHBondContact CA-OG 3.42Å; I67-S70 PolarHBondContact O-N 2.67Å; I67-S70 PolarHBondContact O-OG 3.14Å; I68-S70 PolarHBondContact O-N 3.39Å; S70-G74 WeakPolarHBondContact O-CA 3.3Å; S70-G74 PolarHBondContact O-N 3.14Å |
| 71 | L | 73.8 | Confident | 69.4 | Low | 58 Ų | 58 | 50.3 Ų | 50.3 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 171 | -104.9 | 90.8 | 0 | 0 | 0 | 110.9 | I67 I68 C75 L93 V97 | I67-L71 HydrophobicContact CG2-CD1 3.7Å; I67-L71 WeakPolarHBondContact O-CB 3.41Å; I67-L71 VanDerWaalsContact O-CD1 3.28Å; I67-L71 WeakPolarHBondContact O-CD1 3.17Å; I67-L71 PolarHBondContact O-N 3.47Å; I68-L71 PolarHBondContact O-N 2.85Å; L71-C75 WeakPolarHBondContact O-CB 3.5Å; L71-C75 PolarHBondContact O-N 2.9Å; L71-C75 PolarHBondContact O-SG 3.48Å; L71-L93 HydrophobicContact CD2-CD2 4.21Å; L71-V97 HydrophobicContact CB-CG2 4.45Å; L71-V97 HydrophobicContact CD2-CG2 3.45Å; L71-V97 VanDerWaalsContact CD2-CG2 3.45Å |
| 72 | E | 75.9 | Confident | 70 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.7 | -78.1 | -179 | 130.9 | 0 | 0 | 111.2 | F20 K27 I68 G69 G76 V97 | F20-E72 HydrophobicContact CD1-CB 3.91Å; F20-E72 HydrophobicContact CD1-CG 3.89Å; F20-E72 HydrophobicContact CE1-CB 4.41Å; F20-E72 HydrophobicContact CE1-CG 3.87Å; K27-E72 WeakPolarHBondContact CD-OE2 2.88Å; K27-E72 VanDerWaalsContact NZ-CD 3.3Å; K27-E72 IonicContact NZ-OE1 3.71Å; K27-E72 PolarHBondContact NZ-OE1 3.23Å; K27-E72 IonicContact NZ-OE2 3.28Å; K27-E72 PolarHBondContact NZ-OE2 3.48Å; K27-E72 VanDerWaalsContact NZ-OE2 3.11Å; I68-E72 WeakPolarHBondContact O-CG 3.49Å; I68-E72 PolarHBondContact O-N 3.42Å; G69-E72 PolarHBondContact O-N 2.85Å; E72-G76 WeakPolarHBondContact O-CA 3.44Å; E72-G76 PolarHBondContact O-N 2.93Å; E72-V97 HydrophobicContact CG-CG1 4.49Å |
| 73 | V | 78.8 | Confident | 70.2 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.6 | -51.2 | 175.1 | 174 | 0 | 0 | 0 | 0 | 110.8 | V21 T25 G69 C75 G76 V77 | V21-V73 HydrophobicContact CG1-CG1 4.44Å; T25-V73 HydrophobicContact CG2-CG2 4.16Å; G69-V73 WeakPolarHBondContact O-CG2 3.44Å; G69-V73 PolarHBondContact O-N 2.86Å; V73-C75 PolarHBondContact O-N 3.32Å; V73-G76 PolarHBondContact O-N 3.32Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.45Å; V73-V77 PolarHBondContact O-N 2.75Å |
| 74 | G | 79.5 | Confident | 70.4 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -48.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S70 V77 V78 | S70-G74 WeakPolarHBondContact O-CA 3.3Å; S70-G74 PolarHBondContact O-N 3.14Å; G74-V77 PolarHBondContact O-N 3.42Å; G74-V78 VanDerWaalsContact O-CG2 3.31Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 3.31Å |
| 75 | C | 71.3 | Confident | 70.3 | Confident | 14 Ų | 14 | 56 Ų | 56 | 10% | 0.095 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.8 | -32.4 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | L71 V73 V78 L79 L94 | L71-C75 WeakPolarHBondContact O-CB 3.5Å; L71-C75 PolarHBondContact O-N 2.9Å; L71-C75 PolarHBondContact O-SG 3.48Å; V73-C75 PolarHBondContact O-N 3.32Å; C75-V78 PolarHBondContact O-N 2.87Å; C75-L79 VanDerWaalsContact O-CB 3.31Å; C75-L79 WeakPolarHBondContact O-CB 3.28Å; C75-L79 PolarHBondContact O-N 3.46Å; C75-L94 HydrophobicContact CB-CD1 3.39Å; C75-L94 HydrophobicContact CB-CD2 4.19Å; C75-L94 HydrophobicContact CB-CG 3.4Å; C75-L94 VanDerWaalsContact CB-CG 3.4Å |
| 76 | G | 77.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | E72 V73 V78 L79 T80 | E72-G76 WeakPolarHBondContact O-CA 3.44Å; E72-G76 PolarHBondContact O-N 2.93Å; V73-G76 PolarHBondContact O-N 3.32Å; G76-V78 PolarHBondContact O-N 3.35Å; G76-L79 PolarHBondContact O-N 2.89Å; G76-T80 PolarHBondContact O-N 3.41Å; G76-T80 PolarHBondContact O-OG1 2.82Å |
| 77 | V | 80.3 | Confident | 70.5 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | V21 V73 G74 L79 T80 L81 | V21-V77 HydrophobicContact CG2-CG2 3.79Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.45Å; V73-V77 PolarHBondContact O-N 2.75Å; G74-V77 PolarHBondContact O-N 3.42Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.88Å; V77-T80 PolarHBondContact O-N 3.44Å; V77-L81 HydrophobicContact CG1-CD1 3.54Å; V77-L81 HydrophobicContact CG1-CG 4.35Å; V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 3.31Å |
| 78 | V | 76.1 | Confident | 70.5 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | G74 C75 G76 T80 V82 A90 | G74-V78 VanDerWaalsContact O-CG2 3.31Å; G74-V78 WeakPolarHBondContact O-CG2 3.47Å; G74-V78 PolarHBondContact O-N 3.31Å; C75-V78 PolarHBondContact O-N 2.87Å; G76-V78 PolarHBondContact O-N 3.35Å; V78-T80 VanDerWaalsContact C-N 3.3Å; V78-T80 PolarHBondContact O-N 3.3Å; V78-V82 HydrophobicContact CG1-CB 4.27Å; V78-V82 HydrophobicContact CG1-CG2 4.12Å; V78-V82 WeakPolarHBondContact O-CA 3.11Å; V78-V82 VanDerWaalsContact O-CB 3.3Å; V78-V82 WeakPolarHBondContact O-CB 3.38Å; V78-V82 PolarHBondContact O-N 3.46Å; V78-A90 HydrophobicContact CB-CB 4.42Å; V78-A90 HydrophobicContact CG1-CB 3.63Å |
| 79 | L | 72.9 | Confident | 70.6 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -30.8 | 178 | -155.8 | 75.8 | 0 | 0 | 0 | 112 | L16 C75 G76 V77 K87 N91 L94 L125 | L16-L79 HydrophobicContact CB-CD2 4.36Å; C75-L79 VanDerWaalsContact O-CB 3.31Å; C75-L79 WeakPolarHBondContact O-CB 3.28Å; C75-L79 PolarHBondContact O-N 3.46Å; G76-L79 PolarHBondContact O-N 2.89Å; V77-L79 VanDerWaalsContact C-N 3.34Å; V77-L79 PolarHBondContact O-N 2.88Å; L79-K87 HydrophobicContact CD1-CG 3.92Å; L79-K87 PolarHBondContact O-NZ 2.97Å; L79-N91 HydrophobicContact CD1-CB 4.37Å; L79-L94 HydrophobicContact CB-CD1 4.42Å; L79-L94 HydrophobicContact CD1-CD1 4.4Å; L79-L94 HydrophobicContact CD2-CD1 4.32Å; L79-L125 HydrophobicContact CD2-CD2 4.06Å |
| 80 | T | 76.2 | Confident | 70.7 | Confident | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.16 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -79 | -45.2 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | F14 G17 L18 G76 V77 V78 | F14-T80 HydrophobicContact CD2-CG2 3.54Å; F14-T80 HydrophobicContact CE2-CG2 3.34Å; F14-T80 HydrophobicContact CG-CG2 4.35Å; F14-T80 HydrophobicContact CZ-CG2 4Å; G17-T80 VanDerWaalsContact C-OG1 3.28Å; G17-T80 WeakPolarHBondContact CA-OG1 3.43Å; L18-T80 PolarHBondContact N-OG1 2.83Å; G76-T80 PolarHBondContact O-N 3.41Å; G76-T80 PolarHBondContact O-OG1 2.82Å; V77-T80 PolarHBondContact O-N 3.44Å; V78-T80 VanDerWaalsContact C-N 3.3Å; V78-T80 PolarHBondContact O-N 3.3Å |
| 81 | L | 70.3 | Confident | 70.5 | Confident | 130 Ų | 130 | 48.7 Ų | 48.7 | 68% | 0.681 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -89 | -26.1 | -171.6 | -71 | 173.3 | 0 | 0 | 0 | 114.5 | V77 P83 | V77-L81 HydrophobicContact CG1-CD1 3.54Å; V77-L81 HydrophobicContact CG1-CG 4.35Å; V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 3.31Å; L81-P83 WeakPolarHBondContact O-CD 3.47Å |
| 82 | V | 61 | Low | 70.5 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 31% | 0.309 | 30% | 0.296 | S | S | . | . | trans | -111 | 102.4 | -172.5 | -170.9 | 0 | 0 | 0 | 0 | 110.9 | V78 P86 K87 | V78-V82 HydrophobicContact CG1-CB 4.27Å; V78-V82 HydrophobicContact CG1-CG2 4.12Å; V78-V82 WeakPolarHBondContact O-CA 3.11Å; V78-V82 VanDerWaalsContact O-CB 3.3Å; V78-V82 WeakPolarHBondContact O-CB 3.38Å; V78-V82 PolarHBondContact O-N 3.46Å; V82-P86 HydrophobicContact CG1-CG 3.66Å; V82-K87 VanDerWaalsContact O-CD 3.26Å; V82-K87 WeakPolarHBondContact O-CD 3.39Å; V82-K87 WeakPolarHBondContact O-CG 3.29Å; V82-K87 PolarHBondContact O-NZ 3.01Å | ||
| 83 | P | 58.1 | Low | 70.4 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | trans | -88.8 | 115.5 | 161.5 | 31.1 | -28.2 | 0 | 0 | 0 | 110.1 | L81 | L81-P83 WeakPolarHBondContact O-CD 3.47Š| ||
| 84 | G | 61.3 | Low | 70.1 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 156.3 | -172.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P86 K87 | G84-P86 VanDerWaalsContact C-CD 3.43Å; G84-K87 WeakPolarHBondContact O-CA 3.17Å; G84-K87 WeakPolarHBondContact O-CB 3.36Å; G84-K87 PolarHBondContact O-N 3.49Å |
| 85 | R | 58.3 | Low | 69.7 | Low | 179 Ų | 179 | 52.9 Ų | 52.9 | 68% | 0.675 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -39.1 | 177.1 | -64.6 | -76.9 | 132.1 | 81.6 | -13.2 | 115.9 | K87 D88 E136 | R85-K87 PolarHBondContact O-N 3.01Å; R85-D88 PolarHBondContact O-N 2.9Å; R85-E136 IonicContact CZ-OE2 3.11Å; R85-E136 IonicContact NE-OE2 2.67Å; R85-E136 IonicContact NH2-OE2 3.97Å; R85-E136 PolarHBondContact NH2-OE2 3.33Å |
| 86 | P | 63.6 | Low | 69.8 | Low | 78 Ų | 78 | 57.1 Ų | 57.1 | 51% | 0.506 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.8 | -16.9 | 175 | 24 | -34.8 | 0 | 0 | 0 | 113.7 | V82 G84 D88 V89 A90 | V82-P86 HydrophobicContact CG1-CG 3.66Å; G84-P86 VanDerWaalsContact C-CD 3.43Å; P86-D88 VanDerWaalsContact C-N 3.26Å; P86-D88 PolarHBondContact O-N 3.26Å; P86-V89 PolarHBondContact O-N 3.43Å; P86-A90 PolarHBondContact O-N 3.02Å; P86-A90 VanDerWaalsContact O-N 3.14Å |
| 87 | K | 66.1 | Low | 69.4 | Low | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -30.1 | 177.2 | -156.6 | -176.4 | -170.7 | 98.7 | 0 | 111.7 | L79 V82 G84 R85 A90 N91 R128 | L79-K87 HydrophobicContact CD1-CG 3.92Å; L79-K87 PolarHBondContact O-NZ 2.97Å; V82-K87 VanDerWaalsContact O-CD 3.26Å; V82-K87 WeakPolarHBondContact O-CD 3.39Å; V82-K87 WeakPolarHBondContact O-CG 3.29Å; V82-K87 PolarHBondContact O-NZ 3.01Å; G84-K87 WeakPolarHBondContact O-CA 3.17Å; G84-K87 WeakPolarHBondContact O-CB 3.36Å; G84-K87 PolarHBondContact O-N 3.49Å; R85-K87 PolarHBondContact O-N 3.01Å; K87-A90 PolarHBondContact O-N 2.67Å; K87-N91 WeakPolarHBondContact O-CB 3.06Å; K87-N91 PolarHBondContact O-N 3.07Å; K87-R128 VanDerWaalsContact CE-NH2 3.29Å |
| 88 | D | 67.2 | Low | 69 | Low | 33 Ų | 33 | 55.5 Ų | 55.5 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.2 | -35.9 | 179.9 | -63.2 | -47.7 | 0 | 0 | 0 | 112.1 | R85 P86 N91 F92 | R85-D88 PolarHBondContact O-N 2.9Å; P86-D88 VanDerWaalsContact C-N 3.26Å; P86-D88 PolarHBondContact O-N 3.26Å; D88-N91 PolarHBondContact O-N 3.37Å; D88-F92 VanDerWaalsContact O-CB 3.31Å; D88-F92 WeakPolarHBondContact O-CB 2.9Å; D88-F92 PolarHBondContact O-N 2.88Å |
| 89 | V | 71.8 | Confident | 68.6 | Low | 104 Ų | 104 | 58.1 Ų | 58.1 | 63% | 0.63 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.5 | -47.2 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 110 | P86 N91 F92 L93 | P86-V89 PolarHBondContact O-N 3.43Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 2.89Å; V89-F92 PolarHBondContact O-N 3.36Å; V89-L93 WeakPolarHBondContact O-CB 3.5Å; V89-L93 PolarHBondContact O-N 3.44Å |
| 90 | A | 69 | Low | 68.3 | Low | 13 Ų | 13 | 59.2 Ų | 59.2 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V78 P86 K87 L93 L94 | V78-A90 HydrophobicContact CB-CB 4.42Å; V78-A90 HydrophobicContact CG1-CB 3.63Å; P86-A90 PolarHBondContact O-N 3.02Å; P86-A90 VanDerWaalsContact O-N 3.14Å; K87-A90 PolarHBondContact O-N 2.67Å; A90-L93 PolarHBondContact O-N 3.5Å; A90-L94 VanDerWaalsContact O-CB 3.3Å; A90-L94 WeakPolarHBondContact O-CB 3.43Å; A90-L94 PolarHBondContact O-N 3.48Å |
| 91 | N | 72.3 | Confident | 67.8 | Low | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70 | -40.1 | 178.6 | -162.2 | 74.3 | 0 | 0 | 0 | 111.9 | L79 K87 D88 V89 L94 L95 L125 L129 | L79-N91 HydrophobicContact CD1-CB 4.37Å; K87-N91 WeakPolarHBondContact O-CB 3.06Å; K87-N91 PolarHBondContact O-N 3.07Å; D88-N91 PolarHBondContact O-N 3.37Å; V89-N91 VanDerWaalsContact C-N 3.29Å; V89-N91 PolarHBondContact O-N 2.89Å; N91-L94 WeakPolarHBondContact O-CB 2.89Å; N91-L94 PolarHBondContact O-N 2.86Å; N91-L95 VanDerWaalsContact O-CB 3.27Å; N91-L95 WeakPolarHBondContact O-CB 3.49Å; N91-L95 PolarHBondContact O-N 2.91Å; N91-L125 PolarHBondContact ND2-O 3.43Å; N91-L125 VanDerWaalsContact ND2-O 3.17Å; N91-L125 WeakPolarHBondContact OD1-CD2 3.26Å; N91-L129 HydrophobicContact CB-CD1 4.06Å; N91-L129 VanDerWaalsContact ND2-CB 3.34Å; N91-L129 WeakPolarHBondContact ND2-CB 2.91Å; N91-L129 VanDerWaalsContact ND2-CD1 3.26Å; N91-L129 WeakPolarHBondContact ND2-CD1 3Å |
| 92 | F | 73.6 | Confident | 67.6 | Low | 111 Ų | 111 | 54 Ų | 54 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 173.5 | -171.7 | -94.9 | 0 | 0 | 0 | 111.6 | D88 V89 L95 L96 L129 | D88-F92 VanDerWaalsContact O-CB 3.31Å; D88-F92 WeakPolarHBondContact O-CB 2.9Å; D88-F92 PolarHBondContact O-N 2.88Å; V89-F92 PolarHBondContact O-N 3.36Å; F92-L95 PolarHBondContact O-N 3.04Å; F92-L96 WeakPolarHBondContact O-CB 3.26Å; F92-L96 PolarHBondContact O-N 3.23Å; F92-L129 HydrophobicContact CD2-CD2 4.12Å |
| 93 | L | 73.3 | Confident | 67.8 | Low | 80 Ų | 80 | 57.8 Ų | 57.8 | 42% | 0.419 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.9 | -148.3 | 79.5 | 0 | 0 | 0 | 111.4 | L71 V89 A90 L95 L96 V97 | L71-L93 HydrophobicContact CD2-CD2 4.21Å; V89-L93 WeakPolarHBondContact O-CB 3.5Å; V89-L93 PolarHBondContact O-N 3.44Å; A90-L93 PolarHBondContact O-N 3.5Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 3.08Å; L93-L96 PolarHBondContact O-N 3.04Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.49Å |
| 94 | L | 72.2 | Confident | 67.9 | Low | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 172.7 | -107.8 | 153.5 | 0 | 0 | 0 | 111.9 | F20 C75 L79 A90 N91 V97 M98 L125 | F20-L94 HydrophobicContact CD1-CD2 3.54Å; F20-L94 HydrophobicContact CD2-CD2 4.43Å; F20-L94 HydrophobicContact CE1-CD2 3.33Å; F20-L94 HydrophobicContact CE2-CD2 4.26Å; F20-L94 HydrophobicContact CG-CD2 4.08Å; F20-L94 HydrophobicContact CZ-CD2 3.72Å; C75-L94 HydrophobicContact CB-CD1 3.39Å; C75-L94 HydrophobicContact CB-CD2 4.19Å; C75-L94 HydrophobicContact CB-CG 3.4Å; C75-L94 VanDerWaalsContact CB-CG 3.4Å; L79-L94 HydrophobicContact CB-CD1 4.42Å; L79-L94 HydrophobicContact CD1-CD1 4.4Å; L79-L94 HydrophobicContact CD2-CD1 4.32Å; A90-L94 VanDerWaalsContact O-CB 3.3Å; A90-L94 WeakPolarHBondContact O-CB 3.43Å; A90-L94 PolarHBondContact O-N 3.48Å; N91-L94 WeakPolarHBondContact O-CB 2.89Å; N91-L94 PolarHBondContact O-N 2.86Å; L94-V97 PolarHBondContact O-N 3.47Å; L94-M98 WeakPolarHBondContact O-CB 3.47Å; L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.08Å; L94-M98 PolarHBondContact O-N 3.26Å; L94-L125 HydrophobicContact CB-CD1 4.29Å; L94-L125 HydrophobicContact CD2-CD1 4.17Å |
| 95 | L | 72.1 | Confident | 67.8 | Low | 27 Ų | 27 | 53.6 Ų | 53.6 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 179.8 | -157.7 | 169.5 | 0 | 0 | 0 | 110.1 | N91 F92 L93 V97 M98 L99 T126 L129 | N91-L95 VanDerWaalsContact O-CB 3.27Å; N91-L95 WeakPolarHBondContact O-CB 3.49Å; N91-L95 PolarHBondContact O-N 2.91Å; F92-L95 PolarHBondContact O-N 3.04Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 3.08Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 3.16Å; L95-M98 PolarHBondContact O-N 3.18Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 PolarHBondContact O-N 2.92Å; L95-T126 HydrophobicContact CD1-CG2 4.32Å; L95-T126 WeakPolarHBondContact CD1-OG1 3.44Å; L95-L129 HydrophobicContact CD1-CB 4.34Å; L95-L129 HydrophobicContact CD1-CD2 3.89Å |
| 96 | L | 71.6 | Confident | 67.6 | Low | 103 Ų | 103 | 50.8 Ų | 50.8 | 54% | 0.539 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 174.6 | -166.4 | 92.7 | 0 | 0 | 0 | 111.7 | F92 L93 L99 A100 | F92-L96 WeakPolarHBondContact O-CB 3.26Å; F92-L96 PolarHBondContact O-N 3.23Å; L93-L96 PolarHBondContact O-N 3.04Å; L96-L99 PolarHBondContact O-N 2.82Å; L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.88Å |
| 97 | V | 70.7 | Confident | 67.1 | Low | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 111 | I68 L71 E72 L93 L94 L95 L99 A100 V101 | I68-V97 HydrophobicContact CG2-CG1 4.17Å; L71-V97 HydrophobicContact CB-CG2 4.45Å; L71-V97 HydrophobicContact CD2-CG2 3.45Å; L71-V97 VanDerWaalsContact CD2-CG2 3.45Å; E72-V97 HydrophobicContact CG-CG1 4.49Å; L93-V97 VanDerWaalsContact O-CG2 3.24Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.49Å; L94-V97 PolarHBondContact O-N 3.47Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 3.16Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.22Å; V97-A100 PolarHBondContact O-N 2.88Å; V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 WeakPolarHBondContact O-CB 3.38Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.11Å; V97-V101 PolarHBondContact O-N 2.85Å |
| 98 | M | 71.9 | Confident | 66.3 | Low | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 177.6 | -73.3 | -59.1 | -78.3 | 0 | 0 | 112.6 | F20 L94 L95 V101 L102 A118 F121 L125 | F20-M98 HydrophobicContact CE1-CE 4.28Å; F20-M98 HydrophobicContact CE1-CG 3.94Å; F20-M98 HydrophobicContact CE1-SD 3.5Å; F20-M98 WeakPolarHBondContact CE1-SD 3.31Å; F20-M98 HydrophobicContact CZ-CE 3.68Å; F20-M98 HydrophobicContact CZ-CG 3.59Å; F20-M98 HydrophobicContact CZ-SD 3.42Å; F20-M98 WeakPolarHBondContact CZ-SD 3.3Å; L94-M98 WeakPolarHBondContact O-CB 3.47Å; L94-M98 VanDerWaalsContact O-CG 3.28Å; L94-M98 WeakPolarHBondContact O-CG 3.08Å; L94-M98 PolarHBondContact O-N 3.26Å; L95-M98 PolarHBondContact O-N 3.18Å; M98-V101 PolarHBondContact O-N 3.49Å; M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.42Å; M98-L102 PolarHBondContact O-N 3.34Å; M98-A118 VanDerWaalsContact CE-CA 3.42Å; M98-A118 HydrophobicContact CE-CB 3.6Å; M98-A118 WeakPolarHBondContact CE-O 3.39Å; M98-F121 HydrophobicContact CE-CB 3.82Å; M98-L125 HydrophobicContact CG-CD1 4.1Å |
| 99 | L | 67.9 | Low | 65.6 | Low | 109 Ų | 109 | 52.7 Ų | 52.7 | 57% | 0.571 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 175.7 | -147.5 | 76.6 | 0 | 0 | 0 | 110.7 | L95 L96 V97 L102 F103 | L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 PolarHBondContact O-N 2.92Å; L96-L99 PolarHBondContact O-N 2.82Å; V97-L99 VanDerWaalsContact C-N 3.34Å; V97-L99 PolarHBondContact O-N 3.22Å; L99-L102 PolarHBondContact O-N 2.85Å; L99-F103 WeakPolarHBondContact O-CB 2.92Å; L99-F103 PolarHBondContact O-N 3.47Å |
| 100 | A | 66.4 | Low | 64.8 | Low | 25 Ų | 25 | 49.6 Ų | 49.6 | 21% | 0.207 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L96 V97 L102 F103 F104 | L96-A100 WeakPolarHBondContact O-CB 3.47Å; L96-A100 PolarHBondContact O-N 2.88Å; V97-A100 PolarHBondContact O-N 2.88Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 3.22Å; A100-F103 PolarHBondContact O-N 3.39Å; A100-F104 HydrophobicContact CB-CE2 4.38Å; A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 WeakPolarHBondContact O-CG 3.03Å; A100-F104 PolarHBondContact O-N 2.88Å |
| 101 | V | 65.7 | Low | 64.2 | Low | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 174.6 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | I68 V97 M98 F104 H105 | I68-V101 HydrophobicContact CD1-CG2 4.22Å; I68-V101 HydrophobicContact CG1-CG2 4.5Å; I68-V101 HydrophobicContact CG2-CG2 3.48Å; I68-V101 VanDerWaalsContact CG2-CG2 3.48Å; V97-V101 HydrophobicContact CG1-CG2 4.45Å; V97-V101 WeakPolarHBondContact O-CB 3.38Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.11Å; V97-V101 PolarHBondContact O-N 2.85Å; M98-V101 PolarHBondContact O-N 3.49Å; V101-F104 PolarHBondContact O-N 2.85Å; V101-H105 PolarHBondContact O-N 3.49Å; V101-H105 PolarHBondContact O-ND1 2.89Å |
| 102 | L | 66.4 | Low | 63.4 | Low | 39 Ų | 39 | 57.5 Ų | 57.5 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | -179.9 | -168.8 | 69.4 | 0 | 0 | 0 | 112.2 | M98 L99 A100 F104 H105 Q106 L119 | M98-L102 VanDerWaalsContact O-CB 3.29Å; M98-L102 WeakPolarHBondContact O-CB 3.42Å; M98-L102 PolarHBondContact O-N 3.34Å; L99-L102 PolarHBondContact O-N 2.85Å; A100-L102 VanDerWaalsContact C-N 3.33Å; A100-L102 PolarHBondContact O-N 3.22Å; L102-F104 VanDerWaalsContact C-N 3.34Å; L102-H105 PolarHBondContact O-N 3.18Å; L102-Q106 PolarHBondContact O-N 3.43Å; L102-L119 HydrophobicContact CD1-CB 4.15Å; L102-L119 HydrophobicContact CD1-CD1 3.87Å; L102-L119 HydrophobicContact CD1-CG 3.64Å; L102-L119 HydrophobicContact CD2-CD1 4.39Å; L102-L119 HydrophobicContact CD2-CD2 4.2Å; L102-L119 HydrophobicContact CD2-CG 3.76Å; L102-L119 HydrophobicContact CG-CG 4.35Å |
| 103 | F | 65 | Low | 62.6 | Low | 129 Ų | 129 | 61.5 Ų | 61.5 | 57% | 0.566 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | 177.9 | -165.2 | -102.9 | 0 | 0 | 0 | 112 | L99 A100 Q106 L107 | L99-F103 WeakPolarHBondContact O-CB 2.92Å; L99-F103 PolarHBondContact O-N 3.47Å; A100-F103 PolarHBondContact O-N 3.39Å; F103-Q106 PolarHBondContact O-N 2.97Å; F103-L107 HydrophobicContact CD1-CD1 3.55Å; F103-L107 HydrophobicContact CD1-CG 4.34Å; F103-L107 HydrophobicContact CE1-CD1 3.45Å; F103-L107 VanDerWaalsContact CE1-CD1 3.45Å; F103-L107 HydrophobicContact CE1-CG 4.21Å; F103-L107 HydrophobicContact CZ-CD1 4.33Å; F103-L107 WeakPolarHBondContact O-CB 3.13Å; F103-L107 WeakPolarHBondContact O-CG 3.27Å; F103-L107 PolarHBondContact O-N 3.01Å |
| 104 | F | 59.6 | Low | 61.9 | Low | 17 Ų | 17 | 65.5 Ų | 65.5 | 8% | 0.075 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 173.3 | -71.8 | -52.5 | 0 | 0 | 0 | 112.3 | A43 Y47 L64 A100 V101 L102 Q106 L107 V108 | A43-F104 HydrophobicContact CB-CD1 3.28Å; A43-F104 HydrophobicContact CB-CE1 3.14Å; A43-F104 HydrophobicContact CB-CG 4.37Å; A43-F104 HydrophobicContact CB-CZ 4.1Å; Y47-F104 AromaticContact CD2-CE1 3.66Å; Y47-F104 HydrophobicContact CD2-CE1 3.66Å; Y47-F104 AromaticContact CD2-CZ 3.57Å; Y47-F104 HydrophobicContact CD2-CZ 3.57Å; Y47-F104 AromaticContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE1 3.59Å; Y47-F104 HydrophobicContact CE2-CE2 4.07Å; Y47-F104 AromaticContact CE2-CZ 3.12Å; Y47-F104 HydrophobicContact CE2-CZ 3.12Å; L64-F104 HydrophobicContact CD2-CE2 4.14Å; L64-F104 HydrophobicContact CD2-CZ 3.96Å; A100-F104 HydrophobicContact CB-CE2 4.38Å; A100-F104 WeakPolarHBondContact O-CD2 3.45Å; A100-F104 WeakPolarHBondContact O-CG 3.03Å; A100-F104 PolarHBondContact O-N 2.88Å; V101-F104 PolarHBondContact O-N 2.85Å; L102-F104 VanDerWaalsContact C-N 3.34Å; F104-Q106 VanDerWaalsContact C-N 3.33Å; F104-Q106 PolarHBondContact O-N 2.96Å; F104-L107 WeakPolarHBondContact O-CB 3.35Å; F104-L107 PolarHBondContact O-N 3.42Å; F104-L107 VanDerWaalsContact O-N 3.14Å; F104-V108 WeakPolarHBondContact O-CG2 3.41Å; F104-V108 PolarHBondContact O-N 3.28Å |
| 105 | H | 58.9 | Low | 61.5 | Low | 34 Ų | 34 | 66.8 Ų | 66.8 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 178.7 | -72 | 94.6 | 0 | 0 | 0 | 112.7 | E39 V101 L102 V108 G109 Y115 | E39-H105 IonicContact OE1-CD2 3.68Å; V101-H105 PolarHBondContact O-N 3.49Å; V101-H105 PolarHBondContact O-ND1 2.89Å; L102-H105 PolarHBondContact O-N 3.18Å; H105-V108 PolarHBondContact O-N 2.9Å; H105-G109 PolarHBondContact O-N 2.77Å; H105-Y115 HydrophobicContact CB-CD2 3.99Å; H105-Y115 HydrophobicContact CB-CE2 4.34Å; H105-Y115 HydrophobicContact CB-CG 4.15Å; H105-Y115 AromaticContact CD2-CD1 3.57Å; H105-Y115 AromaticContact CD2-CD2 3.53Å; H105-Y115 AromaticContact CD2-CE1 3.17Å; H105-Y115 WeakPolarHBondContact CD2-CE1 3.33Å; H105-Y115 AromaticContact CD2-CE2 3.11Å; H105-Y115 WeakPolarHBondContact CD2-CE2 3.31Å; H105-Y115 AromaticContact CD2-CG 3.74Å; H105-Y115 AromaticContact CD2-CZ 2.89Å; H105-Y115 PolarHBondContact CD2-OH 3.23Å; H105-Y115 VanDerWaalsContact CD2-OH 3.28Å; H105-Y115 AromaticContact CE1-CD1 3.67Å; H105-Y115 AromaticContact CE1-CE1 3.44Å; H105-Y115 VanDerWaalsContact CE1-CE1 3.44Å; H105-Y115 WeakPolarHBondContact CE1-CE1 3.44Å; H105-Y115 AromaticContact CE1-CZ 3.97Å; H105-Y115 AromaticContact CG-CD1 3.72Å; H105-Y115 AromaticContact CG-CD2 3.73Å; H105-Y115 AromaticContact CG-CE1 3.81Å; H105-Y115 AromaticContact CG-CE2 3.81Å; H105-Y115 AromaticContact CG-CG 3.68Å; H105-Y115 AromaticContact CG-CZ 3.83Å; H105-Y115 AromaticContact ND1-CD1 3.79Å; H105-Y115 AromaticContact ND1-CE1 3.96Å; H105-Y115 AromaticContact NE2-CD1 3.52Å; H105-Y115 AromaticContact NE2-CE1 2.88Å; H105-Y115 WeakPolarHBondContact NE2-CE1 3.48Å; H105-Y115 AromaticContact NE2-CE2 3.77Å; H105-Y115 AromaticContact NE2-CZ 3Å; H105-Y115 PolarHBondContact NE2-OH 3.28Å |
| 106 | Q | 53.7 | Low | 61.3 | Low | 120 Ų | 120 | 67.7 Ų | 67.7 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 173.1 | -89.4 | -70.1 | 11.4 | 0 | 0 | 112.7 | L102 F103 F104 V108 G109 | L102-Q106 PolarHBondContact O-N 3.43Å; F103-Q106 PolarHBondContact O-N 2.97Å; F104-Q106 VanDerWaalsContact C-N 3.33Å; F104-Q106 PolarHBondContact O-N 2.96Å; Q106-V108 PolarHBondContact O-N 3.05Å; Q106-G109 PolarHBondContact O-N 2.61Å |
| 107 | L | 54.9 | Low | 61.1 | Low | 63 Ų | 63 | 66.1 Ų | 66.1 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.2 | -21.4 | 178.7 | -82.2 | 167.7 | 0 | 0 | 0 | 113.7 | R42 F103 F104 | R42-L107 PolarHBondContact NH1-O 3.43Å; F103-L107 HydrophobicContact CD1-CD1 3.55Å; F103-L107 HydrophobicContact CD1-CG 4.34Å; F103-L107 HydrophobicContact CE1-CD1 3.45Å; F103-L107 VanDerWaalsContact CE1-CD1 3.45Å; F103-L107 HydrophobicContact CE1-CG 4.21Å; F103-L107 HydrophobicContact CZ-CD1 4.33Å; F103-L107 WeakPolarHBondContact O-CB 3.13Å; F103-L107 WeakPolarHBondContact O-CG 3.27Å; F103-L107 PolarHBondContact O-N 3.01Å; F104-L107 WeakPolarHBondContact O-CB 3.35Å; F104-L107 PolarHBondContact O-N 3.42Å; F104-L107 VanDerWaalsContact O-N 3.14Å |
| 108 | V | 48.7 | Very low | 61 | Low | 34 Ų | 34 | 65.7 Ų | 65.7 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -104.8 | -13.5 | -176.5 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | E39 R42 F104 H105 Q106 D110 | E39-V108 HydrophobicContact CB-CG1 4.32Å; E39-V108 HydrophobicContact CB-CG2 3.99Å; E39-V108 HydrophobicContact CG-CB 3.97Å; E39-V108 HydrophobicContact CG-CG1 3.54Å; E39-V108 HydrophobicContact CG-CG2 3.92Å; E39-V108 WeakPolarHBondContact OE1-CB 3.33Å; E39-V108 WeakPolarHBondContact OE1-CG1 3.49Å; E39-V108 VanDerWaalsContact OE2-CG2 3.31Å; E39-V108 WeakPolarHBondContact OE2-CG2 3.42Å; R42-V108 HydrophobicContact CB-CG2 4.31Å; F104-V108 WeakPolarHBondContact O-CG2 3.41Å; F104-V108 PolarHBondContact O-N 3.28Å; H105-V108 PolarHBondContact O-N 2.9Å; Q106-V108 PolarHBondContact O-N 3.05Å; V108-D110 VanDerWaalsContact C-N 3.32Å |
| 109 | G | 53 | Low | 60.9 | Low | 64 Ų | 64 | 68.3 Ų | 68.3 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 23.6 | 169 | 0 | 0 | 0 | 0 | 0 | 112.9 | H105 Q106 | H105-G109 PolarHBondContact O-N 2.77Å; Q106-G109 PolarHBondContact O-N 2.61Å |
| 110 | D | 54.6 | Low | 61.3 | Low | 39 Ų | 39 | 66.9 Ų | 66.9 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | trans | -68.9 | 143.8 | 175.9 | -142 | 8.9 | 0 | 0 | 0 | 108.6 | V108 L112 Y115 | V108-D110 VanDerWaalsContact C-N 3.32Å; D110-L112 PolarHBondContact O-N 3.38Å; D110-L112 VanDerWaalsContact O-N 3.14Å; D110-Y115 HydrophobicContact CB-CD2 4.48Å; D110-Y115 HydrophobicContact CB-CE2 3.71Å; D110-Y115 WeakPolarHBondContact OD2-CE2 3.37Å; D110-Y115 VanDerWaalsContact OD2-CZ 3.31Å; D110-Y115 PolarHBondContact OD2-OH 2.85Å | ||
| 111 | P | 56.4 | Low | 61.8 | Low | 79 Ų | 79 | 66.4 Ų | 66.4 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | trans | -64.1 | 123 | -168.6 | 22.3 | -27.9 | 0 | 0 | 0 | 110.4 | K113 R114 | P111-K113 PolarHBondContact O-N 3.4Å; P111-R114 PolarHBondContact O-N 2.96Å | ||
| 112 | L | 55.2 | Low | 62.3 | Low | 100 Ų | 100 | 66.7 Ų | 66.7 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -46.3 | -28.7 | -178.3 | -76 | 165.2 | 0 | 0 | 0 | 113.6 | D110 R114 Y115 A116 L119 | D110-L112 PolarHBondContact O-N 3.38Å; D110-L112 VanDerWaalsContact O-N 3.14Å; L112-R114 PolarHBondContact O-N 3.39Å; L112-Y115 CarbonylContact O-C 3.42Å; L112-Y115 PolarHBondContact O-N 2.89Å; L112-Y115 VanDerWaalsContact O-N 3.16Å; L112-A116 PolarHBondContact O-N 3.47Å; L112-L119 HydrophobicContact CD2-CD1 4.44Å |
| 113 | K | 56.9 | Low | 62.9 | Low | 195 Ų | 195 | 69.3 Ų | 69.3 | 85% | 0.848 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -57.2 | -30.8 | 176.9 | -65.4 | -173.3 | 176.4 | -173 | 0 | 113.5 | P111 | P111-K113 PolarHBondContact O-N 3.4Š|
| 114 | R | 58.7 | Low | 63.7 | Low | 164 Ų | 164 | 66.1 Ų | 66.1 | 62% | 0.619 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -81.9 | -21.1 | -178.5 | -150 | 170.9 | -173 | 169.5 | 0.3 | 113 | P111 L112 | P111-R114 PolarHBondContact O-N 2.96Å; L112-R114 PolarHBondContact O-N 3.39Å |
| 115 | Y | 63.9 | Low | 64.5 | Low | 28 Ų | 28 | 65.3 Ų | 65.3 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 3.6 | -178.6 | -54.9 | -72.1 | 0 | 0 | 0 | 113.7 | H105 D110 L112 H117 A118 L119 | H105-Y115 HydrophobicContact CB-CD2 3.99Å; H105-Y115 HydrophobicContact CB-CE2 4.34Å; H105-Y115 HydrophobicContact CB-CG 4.15Å; H105-Y115 AromaticContact CD2-CD1 3.57Å; H105-Y115 AromaticContact CD2-CD2 3.53Å; H105-Y115 AromaticContact CD2-CE1 3.17Å; H105-Y115 WeakPolarHBondContact CD2-CE1 3.33Å; H105-Y115 AromaticContact CD2-CE2 3.11Å; H105-Y115 WeakPolarHBondContact CD2-CE2 3.31Å; H105-Y115 AromaticContact CD2-CG 3.74Å; H105-Y115 AromaticContact CD2-CZ 2.89Å; H105-Y115 PolarHBondContact CD2-OH 3.23Å; H105-Y115 VanDerWaalsContact CD2-OH 3.28Å; H105-Y115 AromaticContact CE1-CD1 3.67Å; H105-Y115 AromaticContact CE1-CE1 3.44Å; H105-Y115 VanDerWaalsContact CE1-CE1 3.44Å; H105-Y115 WeakPolarHBondContact CE1-CE1 3.44Å; H105-Y115 AromaticContact CE1-CZ 3.97Å; H105-Y115 AromaticContact CG-CD1 3.72Å; H105-Y115 AromaticContact CG-CD2 3.73Å; H105-Y115 AromaticContact CG-CE1 3.81Å; H105-Y115 AromaticContact CG-CE2 3.81Å; H105-Y115 AromaticContact CG-CG 3.68Å; H105-Y115 AromaticContact CG-CZ 3.83Å; H105-Y115 AromaticContact ND1-CD1 3.79Å; H105-Y115 AromaticContact ND1-CE1 3.96Å; H105-Y115 AromaticContact NE2-CD1 3.52Å; H105-Y115 AromaticContact NE2-CE1 2.88Å; H105-Y115 WeakPolarHBondContact NE2-CE1 3.48Å; H105-Y115 AromaticContact NE2-CE2 3.77Å; H105-Y115 AromaticContact NE2-CZ 3Å; H105-Y115 PolarHBondContact NE2-OH 3.28Å; D110-Y115 HydrophobicContact CB-CD2 4.48Å; D110-Y115 HydrophobicContact CB-CE2 3.71Å; D110-Y115 WeakPolarHBondContact OD2-CE2 3.37Å; D110-Y115 VanDerWaalsContact OD2-CZ 3.31Å; D110-Y115 PolarHBondContact OD2-OH 2.85Å; L112-Y115 CarbonylContact O-C 3.42Å; L112-Y115 PolarHBondContact O-N 2.89Å; L112-Y115 VanDerWaalsContact O-N 3.16Å; Y115-H117 PolarHBondContact O-N 3.41Å; Y115-H117 VanDerWaalsContact O-N 3.08Å; Y115-A118 WeakPolarHBondContact O-CA 3.27Å; Y115-A118 WeakPolarHBondContact O-CB 3.42Å; Y115-A118 PolarHBondContact O-N 3.47Å; Y115-L119 PolarHBondContact O-N 2.98Å |
| 116 | A | 66.3 | Low | 65.4 | Low | 46 Ų | 46 | 66 Ų | 66 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -48.6 | -38.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L112 A118 L119 V120 | L112-A116 PolarHBondContact O-N 3.47Å; A116-A118 PolarHBondContact O-N 3.13Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 3.21Å; A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.32Å; A116-V120 PolarHBondContact O-N 3.17Å |
| 117 | H | 68.2 | Low | 66.4 | Low | 70 Ų | 70 | 63.1 Ų | 63.1 | 32% | 0.324 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.7 | -158.3 | 7.5 | 0 | 0 | 0 | 113.7 | F19 Y115 L119 F121 | F19-H117 AromaticContact CE1-CD2 3.73Å; F19-H117 AromaticContact CE1-CE1 3.47Å; F19-H117 VanDerWaalsContact CE1-CE1 3.47Å; F19-H117 WeakPolarHBondContact CE1-CE1 3.23Å; F19-H117 AromaticContact CE1-NE2 2.89Å; F19-H117 WeakPolarHBondContact CE1-NE2 3.43Å; F19-H117 AromaticContact CZ-CD2 4Å; F19-H117 AromaticContact CZ-CE1 3.56Å; F19-H117 AromaticContact CZ-NE2 2.9Å; F19-H117 WeakPolarHBondContact CZ-NE2 3.28Å; Y115-H117 PolarHBondContact O-N 3.41Å; Y115-H117 VanDerWaalsContact O-N 3.08Å; H117-L119 VanDerWaalsContact C-N 3.31Å; H117-F121 AromaticContact CD2-CE2 3.91Å; H117-F121 AromaticContact CE1-CD2 3.83Å; H117-F121 AromaticContact CE1-CE2 2.91Å; H117-F121 WeakPolarHBondContact CE1-CE2 3.44Å; H117-F121 AromaticContact CE1-CZ 3.06Å; H117-F121 WeakPolarHBondContact CE1-CZ 3.35Å; H117-F121 AromaticContact CG-CE2 3.67Å; H117-F121 AromaticContact ND1-CD2 3.44Å; H117-F121 WeakPolarHBondContact ND1-CD2 3.08Å; H117-F121 AromaticContact ND1-CE2 3Å; H117-F121 WeakPolarHBondContact ND1-CE2 3.26Å; H117-F121 AromaticContact ND1-CZ 3.56Å; H117-F121 AromaticContact NE2-CE2 3.49Å; H117-F121 WeakPolarHBondContact NE2-CE2 3.37Å; H117-F121 AromaticContact NE2-CZ 3.81Å; H117-F121 WeakPolarHBondContact O-CD2 3.34Å; H117-F121 WeakPolarHBondContact O-CG 3.4Å; H117-F121 PolarHBondContact O-N 2.94Å |
| 118 | A | 68.2 | Low | 67.4 | Low | 11 Ų | 11 | 61.4 Ų | 61.4 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M98 Y115 A116 F121 G122 | M98-A118 VanDerWaalsContact CE-CA 3.42Å; M98-A118 HydrophobicContact CE-CB 3.6Å; M98-A118 WeakPolarHBondContact CE-O 3.39Å; Y115-A118 WeakPolarHBondContact O-CA 3.27Å; Y115-A118 WeakPolarHBondContact O-CB 3.42Å; Y115-A118 PolarHBondContact O-N 3.47Å; A116-A118 PolarHBondContact O-N 3.13Å; A118-F121 PolarHBondContact O-N 3.29Å; A118-G122 PolarHBondContact O-N 2.8Å |
| 119 | L | 71.3 | Confident | 68.6 | Low | 60 Ų | 60 | 60.7 Ų | 60.7 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 176.9 | -133.5 | 164 | 0 | 0 | 0 | 111.5 | L102 L112 Y115 A116 H117 F121 G122 I123 | L102-L119 HydrophobicContact CD1-CB 4.15Å; L102-L119 HydrophobicContact CD1-CD1 3.87Å; L102-L119 HydrophobicContact CD1-CG 3.64Å; L102-L119 HydrophobicContact CD2-CD1 4.39Å; L102-L119 HydrophobicContact CD2-CD2 4.2Å; L102-L119 HydrophobicContact CD2-CG 3.76Å; L102-L119 HydrophobicContact CG-CG 4.35Å; L112-L119 HydrophobicContact CD2-CD1 4.44Å; Y115-L119 PolarHBondContact O-N 2.98Å; A116-L119 WeakPolarHBondContact O-CB 3.43Å; A116-L119 PolarHBondContact O-N 3.21Å; H117-L119 VanDerWaalsContact C-N 3.31Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.36Å; L119-G122 PolarHBondContact O-N 3.42Å; L119-I123 HydrophobicContact CD2-CD1 3.77Å; L119-I123 HydrophobicContact CD2-CG1 4.31Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.68Å |
| 120 | V | 76.5 | Confident | 69.6 | Low | 79 Ų | 79 | 62.4 Ų | 62.4 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | A116 I123 L124 | A116-V120 VanDerWaalsContact O-CG2 3.27Å; A116-V120 WeakPolarHBondContact O-CG2 3.32Å; A116-V120 PolarHBondContact O-N 3.17Å; V120-I123 PolarHBondContact O-N 3.41Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.24Å; V120-L124 PolarHBondContact O-N 2.9Å |
| 121 | F | 75.4 | Confident | 70.4 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -40.5 | 176.3 | -78.3 | -46.1 | 0 | 0 | 0 | 114.4 | L16 F19 F20 M98 H117 A118 L119 I123 L124 L125 | L16-F121 HydrophobicContact CD2-CD1 3.44Å; L16-F121 VanDerWaalsContact CD2-CD1 3.44Å; L16-F121 HydrophobicContact CD2-CE1 3.47Å; L16-F121 VanDerWaalsContact CD2-CE1 3.47Å; F19-F121 HydrophobicContact CB-CE1 4.41Å; F19-F121 HydrophobicContact CB-CZ 4.02Å; F19-F121 HydrophobicContact CD1-CD2 4.46Å; F19-F121 HydrophobicContact CD1-CE1 4.09Å; F19-F121 AromaticContact CD1-CE2 3.2Å; F19-F121 HydrophobicContact CD1-CE2 3.2Å; F19-F121 AromaticContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD1-CZ 2.99Å; F19-F121 HydrophobicContact CD2-CZ 4.09Å; F19-F121 AromaticContact CE1-CE2 3.36Å; F19-F121 HydrophobicContact CE1-CE2 3.36Å; F19-F121 AromaticContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE1-CZ 3.37Å; F19-F121 HydrophobicContact CE2-CZ 4.36Å; F19-F121 HydrophobicContact CG-CE1 4.19Å; F19-F121 HydrophobicContact CG-CE2 4.09Å; F19-F121 AromaticContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CG-CZ 3.4Å; F19-F121 VanDerWaalsContact CG-CZ 3.4Å; F19-F121 HydrophobicContact CZ-CE2 4.34Å; F19-F121 HydrophobicContact CZ-CZ 4.05Å; F20-F121 HydrophobicContact CE2-CB 3.85Å; F20-F121 HydrophobicContact CE2-CD1 4.33Å; F20-F121 HydrophobicContact CE2-CD2 4.41Å; F20-F121 AromaticContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CE2-CG 3.96Å; F20-F121 HydrophobicContact CZ-CB 4.19Å; M98-F121 HydrophobicContact CE-CB 3.82Å; H117-F121 AromaticContact CD2-CE2 3.91Å; H117-F121 AromaticContact CE1-CD2 3.83Å; H117-F121 AromaticContact CE1-CE2 2.91Å; H117-F121 WeakPolarHBondContact CE1-CE2 3.44Å; H117-F121 AromaticContact CE1-CZ 3.06Å; H117-F121 WeakPolarHBondContact CE1-CZ 3.35Å; H117-F121 AromaticContact CG-CE2 3.67Å; H117-F121 AromaticContact ND1-CD2 3.44Å; H117-F121 WeakPolarHBondContact ND1-CD2 3.08Å; H117-F121 AromaticContact ND1-CE2 3Å; H117-F121 WeakPolarHBondContact ND1-CE2 3.26Å; H117-F121 AromaticContact ND1-CZ 3.56Å; H117-F121 AromaticContact NE2-CE2 3.49Å; H117-F121 WeakPolarHBondContact NE2-CE2 3.37Å; H117-F121 AromaticContact NE2-CZ 3.81Å; H117-F121 WeakPolarHBondContact O-CD2 3.34Å; H117-F121 WeakPolarHBondContact O-CG 3.4Å; H117-F121 PolarHBondContact O-N 2.94Å; A118-F121 PolarHBondContact O-N 3.29Å; L119-F121 VanDerWaalsContact C-N 3.28Å; L119-F121 PolarHBondContact O-N 3.36Å; F121-I123 VanDerWaalsContact C-N 3.28Å; F121-I123 PolarHBondContact O-N 2.86Å; F121-L124 HydrophobicContact CD1-CD1 4.31Å; F121-L124 PolarHBondContact O-N 3.44Å; F121-L125 WeakPolarHBondContact O-CB 3.48Å; F121-L125 WeakPolarHBondContact O-CG 3.31Å; F121-L125 PolarHBondContact O-N 2.96Å |
| 122 | G | 76.9 | Confident | 71 | Confident | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A118 L119 T126 | A118-G122 PolarHBondContact O-N 2.8Å; L119-G122 PolarHBondContact O-N 3.42Å; G122-T126 WeakPolarHBondContact O-CB 3.4Å; G122-T126 PolarHBondContact O-N 3.38Å; G122-T126 PolarHBondContact O-OG1 2.99Å |
| 123 | I | 79.1 | Confident | 71.5 | Confident | 93 Ų | 93 | 62.6 Ų | 62.6 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.6 | -47.5 | 175.9 | -65 | 166.4 | 0 | 0 | 0 | 110.7 | L119 V120 F121 L125 T126 C127 | L119-I123 HydrophobicContact CD2-CD1 3.77Å; L119-I123 HydrophobicContact CD2-CG1 4.31Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.68Å; V120-I123 PolarHBondContact O-N 3.41Å; F121-I123 VanDerWaalsContact C-N 3.28Å; F121-I123 PolarHBondContact O-N 2.86Å; I123-L125 PolarHBondContact O-N 2.86Å; I123-T126 WeakPolarHBondContact O-CB 3.35Å; I123-T126 PolarHBondContact O-N 2.9Å; I123-T126 VanDerWaalsContact O-N 3.13Å; I123-C127 PolarHBondContact O-N 3.46Å; I123-C127 PolarHBondContact O-SG 2.82Å; I123-C127 VanDerWaalsContact O-SG 3.36Å |
| 124 | L | 80.8 | Confident | 71.9 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 179.1 | -71 | 170.2 | 0 | 0 | 0 | 112.5 | L16 V120 F121 T126 C127 R128 | L16-L124 HydrophobicContact CD1-CB 4.29Å; L16-L124 HydrophobicContact CD2-CB 4.37Å; L16-L124 HydrophobicContact CD2-CD1 4.04Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.45Å; V120-L124 VanDerWaalsContact O-CG 3.28Å; V120-L124 WeakPolarHBondContact O-CG 3.24Å; V120-L124 PolarHBondContact O-N 2.9Å; F121-L124 HydrophobicContact CD1-CD1 4.31Å; F121-L124 PolarHBondContact O-N 3.44Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-C127 PolarHBondContact O-N 2.91Å; L124-R128 WeakPolarHBondContact O-CB 3.34Å; L124-R128 PolarHBondContact O-N 3.28Å |
| 125 | L | 76.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 174.1 | -75.2 | 165.8 | 0 | 0 | 0 | 111.9 | F20 L79 N91 L94 M98 F121 I123 R128 L129 | F20-L125 HydrophobicContact CE2-CD1 3.74Å; F20-L125 HydrophobicContact CZ-CD1 3.7Å; L79-L125 HydrophobicContact CD2-CD2 4.06Å; N91-L125 PolarHBondContact ND2-O 3.43Å; N91-L125 VanDerWaalsContact ND2-O 3.17Å; N91-L125 WeakPolarHBondContact OD1-CD2 3.26Å; L94-L125 HydrophobicContact CB-CD1 4.29Å; L94-L125 HydrophobicContact CD2-CD1 4.17Å; M98-L125 HydrophobicContact CG-CD1 4.1Å; F121-L125 WeakPolarHBondContact O-CB 3.48Å; F121-L125 WeakPolarHBondContact O-CG 3.31Å; F121-L125 PolarHBondContact O-N 2.96Å; I123-L125 PolarHBondContact O-N 2.86Å; L125-R128 PolarHBondContact O-N 3.5Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 PolarHBondContact O-N 2.9Å |
| 126 | T | 79.2 | Confident | 71.5 | Confident | 48 Ų | 48 | 57.8 Ų | 57.8 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 176.4 | -55.6 | 0 | 0 | 0 | 0 | 111 | L95 G122 I123 L124 R128 L129 L130 | L95-T126 HydrophobicContact CD1-CG2 4.32Å; L95-T126 WeakPolarHBondContact CD1-OG1 3.44Å; G122-T126 WeakPolarHBondContact O-CB 3.4Å; G122-T126 PolarHBondContact O-N 3.38Å; G122-T126 PolarHBondContact O-OG1 2.99Å; I123-T126 WeakPolarHBondContact O-CB 3.35Å; I123-T126 PolarHBondContact O-N 2.9Å; I123-T126 VanDerWaalsContact O-N 3.13Å; L124-T126 VanDerWaalsContact C-N 3.34Å; T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 3.21Å; T126-L129 PolarHBondContact O-N 3.07Å; T126-L130 HydrophobicContact CG2-CD1 4.17Å; T126-L130 HydrophobicContact CG2-CG 4.37Å; T126-L130 WeakPolarHBondContact O-CB 3.16Å; T126-L130 WeakPolarHBondContact O-CG 3.48Å; T126-L130 PolarHBondContact O-N 2.75Å |
| 127 | C | 74.8 | Confident | 70.7 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 173.8 | -71.8 | 0 | 0 | 0 | 0 | 110.6 | I123 L124 L129 L130 I131 | I123-C127 PolarHBondContact O-N 3.46Å; I123-C127 PolarHBondContact O-SG 2.82Å; I123-C127 VanDerWaalsContact O-SG 3.36Å; L124-C127 PolarHBondContact O-N 2.91Å; C127-L129 PolarHBondContact O-N 3.4Å; C127-L130 PolarHBondContact O-N 2.96Å; C127-I131 WeakPolarHBondContact O-CB 3.38Å; C127-I131 WeakPolarHBondContact O-CD1 3.43Å; C127-I131 WeakPolarHBondContact O-CG1 3.17Å; C127-I131 PolarHBondContact O-N 2.99Å |
| 128 | R | 74.6 | Confident | 69.8 | Low | 28 Ų | 28 | 60.9 Ų | 60.9 | 11% | 0.106 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 178.5 | -161.8 | -93 | -175.4 | -151.3 | -13.2 | 112.5 | I9 S13 K87 L124 L125 T126 A132 | I9-R128 HydrophobicContact CG2-CG 3.97Å; S13-R128 VanDerWaalsContact OG-CZ 3.25Å; S13-R128 PolarHBondContact OG-NE 3.39Å; S13-R128 PolarHBondContact OG-NH2 3.35Å; K87-R128 VanDerWaalsContact CE-NH2 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.34Å; L124-R128 PolarHBondContact O-N 3.28Å; L125-R128 PolarHBondContact O-N 3.5Å; T126-R128 VanDerWaalsContact C-N 3.29Å; T126-R128 PolarHBondContact O-N 3.21Å; R128-A132 WeakPolarHBondContact O-CB 3.27Å; R128-A132 PolarHBondContact O-N 2.84Å |
| 129 | L | 74.1 | Confident | 68.9 | Low | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 174.8 | -165.1 | 80.7 | 0 | 0 | 0 | 111.2 | N91 F92 L95 L125 T126 C127 I131 A132 R133 | N91-L129 HydrophobicContact CB-CD1 4.06Å; N91-L129 VanDerWaalsContact ND2-CB 3.34Å; N91-L129 WeakPolarHBondContact ND2-CB 2.91Å; N91-L129 VanDerWaalsContact ND2-CD1 3.26Å; N91-L129 WeakPolarHBondContact ND2-CD1 3Å; F92-L129 HydrophobicContact CD2-CD2 4.12Å; L95-L129 HydrophobicContact CD1-CB 4.34Å; L95-L129 HydrophobicContact CD1-CD2 3.89Å; L125-L129 WeakPolarHBondContact O-CB 3.4Å; L125-L129 PolarHBondContact O-N 2.9Å; T126-L129 PolarHBondContact O-N 3.07Å; C127-L129 PolarHBondContact O-N 3.4Å; L129-I131 VanDerWaalsContact C-N 3.31Å; L129-I131 PolarHBondContact O-N 3.26Å; L129-A132 PolarHBondContact O-N 3.27Å; L129-R133 WeakPolarHBondContact O-CG 3.24Å; L129-R133 PolarHBondContact O-N 3.39Å |
| 130 | L | 74 | Confident | 67.8 | Low | 100 Ų | 100 | 69.1 Ų | 69.1 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.9 | -75.5 | 176.8 | 0 | 0 | 0 | 110.8 | T126 C127 R133 Q134 | T126-L130 HydrophobicContact CG2-CD1 4.17Å; T126-L130 HydrophobicContact CG2-CG 4.37Å; T126-L130 WeakPolarHBondContact O-CB 3.16Å; T126-L130 WeakPolarHBondContact O-CG 3.48Å; T126-L130 PolarHBondContact O-N 2.75Å; C127-L130 PolarHBondContact O-N 2.96Å; L130-R133 PolarHBondContact O-N 3.38Å; L130-Q134 VanDerWaalsContact O-CB 3.24Å; L130-Q134 WeakPolarHBondContact O-CB 3.46Å; L130-Q134 VanDerWaalsContact O-CG 3.27Å; L130-Q134 WeakPolarHBondContact O-CG 3.48Å; L130-Q134 PolarHBondContact O-N 3.42Å |
| 131 | I | 72.5 | Confident | 66.4 | Low | 69 Ų | 69 | 74.6 Ų | 74.6 | 35% | 0.354 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 175.6 | -64.9 | 161.2 | 0 | 0 | 0 | 110.7 | I9 C127 L129 Q134 S135 | I9-I131 HydrophobicContact CD1-CG2 3.42Å; I9-I131 VanDerWaalsContact CD1-CG2 3.42Å; I9-I131 HydrophobicContact CG1-CG2 4.28Å; C127-I131 WeakPolarHBondContact O-CB 3.38Å; C127-I131 WeakPolarHBondContact O-CD1 3.43Å; C127-I131 WeakPolarHBondContact O-CG1 3.17Å; C127-I131 PolarHBondContact O-N 2.99Å; L129-I131 VanDerWaalsContact C-N 3.31Å; L129-I131 PolarHBondContact O-N 3.26Å; I131-Q134 PolarHBondContact O-N 3.48Å; I131-S135 WeakPolarHBondContact O-CB 3.37Å; I131-S135 PolarHBondContact O-N 3.41Å; I131-S135 PolarHBondContact O-OG 2.99Å |
| 132 | A | 67.8 | Low | 65.1 | Low | 20 Ų | 20 | 75.7 Ų | 75.7 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R128 L129 S135 E136 | R128-A132 WeakPolarHBondContact O-CB 3.27Å; R128-A132 PolarHBondContact O-N 2.84Å; L129-A132 PolarHBondContact O-N 3.27Å; A132-S135 VanDerWaalsContact C-OG 3.31Å; A132-S135 WeakPolarHBondContact CA-OG 3.46Å; A132-S135 PolarHBondContact O-OG 2.73Å; A132-E136 PolarHBondContact O-N 3.02Å |
| 133 | R | 66.9 | Low | 63.9 | Low | 132 Ų | 132 | 81 Ų | 81 | 50% | 0.498 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 174.3 | -70.3 | -62.9 | -174.9 | 98.4 | -0.7 | 111.9 | L129 L130 S135 E136 D137 | L129-R133 WeakPolarHBondContact O-CG 3.24Å; L129-R133 PolarHBondContact O-N 3.39Å; L130-R133 PolarHBondContact O-N 3.38Å; R133-S135 VanDerWaalsContact C-N 3.31Å; R133-S135 PolarHBondContact O-N 2.88Å; R133-E136 WeakPolarHBondContact O-CB 2.88Å; R133-E136 PolarHBondContact O-N 3.25Å; R133-D137 PolarHBondContact O-N 2.77Å |
| 134 | Q | 64.4 | Low | 62.5 | Low | 110 Ų | 110 | 79.6 Ų | 79.6 | 51% | 0.514 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 175.7 | -79.6 | -170.2 | -34.6 | 0 | 0 | 111.3 | L130 I131 E136 D137 R138 | L130-Q134 VanDerWaalsContact O-CB 3.24Å; L130-Q134 WeakPolarHBondContact O-CB 3.46Å; L130-Q134 VanDerWaalsContact O-CG 3.27Å; L130-Q134 WeakPolarHBondContact O-CG 3.48Å; L130-Q134 PolarHBondContact O-N 3.42Å; I131-Q134 PolarHBondContact O-N 3.48Å; Q134-E136 PolarHBondContact O-N 2.84Å; Q134-D137 CarbonylContact O-C 3.56Å; Q134-D137 PolarHBondContact O-N 3.26Å; Q134-D137 VanDerWaalsContact O-N 3.09Å; Q134-R138 WeakPolarHBondContact O-CA 3.45Å; Q134-R138 WeakPolarHBondContact O-CB 3.19Å; Q134-R138 PolarHBondContact O-N 2.86Å |
| 135 | S | 57.2 | Low | 61 | Low | 62 Ų | 62 | 84.4 Ų | 84.4 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -22.8 | 176.6 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | I131 A132 R133 | I131-S135 WeakPolarHBondContact O-CB 3.37Å; I131-S135 PolarHBondContact O-N 3.41Å; I131-S135 PolarHBondContact O-OG 2.99Å; A132-S135 VanDerWaalsContact C-OG 3.31Å; A132-S135 WeakPolarHBondContact CA-OG 3.46Å; A132-S135 PolarHBondContact O-OG 2.73Å; R133-S135 VanDerWaalsContact C-N 3.31Å; R133-S135 PolarHBondContact O-N 2.88Å |
| 136 | E | 56.6 | Low | 59.9 | Low | 114 Ų | 114 | 88.7 Ų | 88.7 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -76.3 | -34.5 | 172.7 | -161.7 | 136.1 | 83.1 | 0 | 0 | 111.4 | R85 A132 R133 Q134 | R85-E136 IonicContact CZ-OE2 3.11Å; R85-E136 IonicContact NE-OE2 2.67Å; R85-E136 IonicContact NH2-OE2 3.97Å; R85-E136 PolarHBondContact NH2-OE2 3.33Å; A132-E136 PolarHBondContact O-N 3.02Å; R133-E136 WeakPolarHBondContact O-CB 2.88Å; R133-E136 PolarHBondContact O-N 3.25Å; Q134-E136 PolarHBondContact O-N 2.84Å |
| 137 | D | 50.7 | Low | 58.6 | Low | 129 Ų | 129 | 92.1 Ų | 92.1 | 69% | 0.69 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -84.6 | -4.7 | 172.9 | -68.9 | -60.8 | 0 | 0 | 0 | 114 | R133 Q134 | R133-D137 PolarHBondContact O-N 2.77Å; Q134-D137 CarbonylContact O-C 3.56Å; Q134-D137 PolarHBondContact O-N 3.26Å; Q134-D137 VanDerWaalsContact O-N 3.09Å |
| 138 | R | 49.2 | Very low | 57.6 | Low | 52 Ų | 52 | 96 Ų | 96 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | trans | -136.9 | 53.7 | -166.3 | -175.4 | 162.7 | 160.4 | -95.8 | 5.6 | 113.8 | Q134 R141 E142 | Q134-R138 WeakPolarHBondContact O-CA 3.45Å; Q134-R138 WeakPolarHBondContact O-CB 3.19Å; Q134-R138 PolarHBondContact O-N 2.86Å; R138-R141 HydrophobicContact CG-CB 3.78Å; R138-E142 HydrophobicContact CG-CB 3.76Å; R138-E142 VanDerWaalsContact CZ-CB 3.41Å; R138-E142 IonicContact CZ-OE1 3.03Å; R138-E142 IonicContact CZ-OE2 2.84Å; R138-E142 IonicContact NH1-OE1 2.76Å; R138-E142 PolarHBondContact NH1-OE1 2.76Å; R138-E142 IonicContact NH1-OE2 3.56Å; R138-E142 PolarHBondContact NH1-OE2 3.4Å; R138-E142 IonicContact NH2-OE1 2.64Å; R138-E142 PolarHBondContact NH2-OE1 3.42Å; R138-E142 IonicContact NH2-OE2 3.37Å | ||
| 139 | P | 49.4 | Very low | 57 | Low | 91 Ų | 91 | 99.2 Ų | 99.2 | 59% | 0.591 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -64.3 | -35.5 | 141.3 | 23 | -21.8 | 0 | 0 | 0 | 109.9 | ||
| 140 | E | 47.9 | Very low | 56.1 | Low | 154 Ų | 154 | 103.4 Ų | 103.4 | 72% | 0.72 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -85.2 | -35.3 | -168.6 | -65.2 | 179.8 | 100.1 | 0 | 0 | 116.1 | ||
| 141 | R | 46.5 | Very low | 55.4 | Low | 193 Ų | 193 | 101.6 Ų | 101.6 | 73% | 0.728 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -87 | -15.7 | -175.3 | -57.5 | -168.3 | -153.5 | -145.7 | 5.4 | 115.4 | R138 R145 | R138-R141 HydrophobicContact CG-CB 3.78Å; R141-R145 PolarHBondContact O-N 3.09Å |
| 142 | E | 49 | Very low | 54.6 | Low | 39 Ų | 39 | 105.6 Ų | 105.6 | 18% | 0.182 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -83.4 | -38.8 | 179.4 | -160.1 | 145.2 | -137.9 | 0 | 0 | 110.5 | R5 R138 R145 E146 | R5-E142 WeakPolarHBondContact CD-OE1 3.47Å; R5-E142 IonicContact CZ-OE1 3.52Å; R5-E142 IonicContact NE-OE1 3.55Å; R5-E142 IonicContact NH1-OE1 2.83Å; R5-E142 PolarHBondContact NH1-OE1 2.83Å; R138-E142 HydrophobicContact CG-CB 3.76Å; R138-E142 VanDerWaalsContact CZ-CB 3.41Å; R138-E142 IonicContact CZ-OE1 3.03Å; R138-E142 IonicContact CZ-OE2 2.84Å; R138-E142 IonicContact NH1-OE1 2.76Å; R138-E142 PolarHBondContact NH1-OE1 2.76Å; R138-E142 IonicContact NH1-OE2 3.56Å; R138-E142 PolarHBondContact NH1-OE2 3.4Å; R138-E142 IonicContact NH2-OE1 2.64Å; R138-E142 PolarHBondContact NH2-OE1 3.42Å; R138-E142 IonicContact NH2-OE2 3.37Å; E142-R145 PolarHBondContact O-N 2.64Å; E142-R145 VanDerWaalsContact O-N 3.14Å; E142-E146 PolarHBondContact O-N 3.39Å |
| 143 | E | 50.6 | Low | 54.1 | Low | 126 Ų | 126 | 110.6 Ų | 110.6 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.3 | -49 | 170.3 | -163.3 | 167.9 | -165.4 | 0 | 0 | 110.6 | R145 E146 E147 | E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.29Å; E143-E146 PolarHBondContact O-N 3.25Å; E143-E147 VanDerWaalsContact O-CB 3.31Å; E143-E147 WeakPolarHBondContact O-CB 3.34Å; E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 2.8Å |
| 144 | S | 48.8 | Very low | 53.6 | Low | 63 Ų | 63 | 109.7 Ų | 109.7 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.5 | -34.4 | 174 | -85.1 | 0 | 0 | 0 | 0 | 114.4 | H148 | S144-H148 WeakPolarHBondContact O-CB 3.24Å; S144-H148 PolarHBondContact O-CD2 2.96Å; S144-H148 PolarHBondContact O-N 2.67Å |
| 145 | R | 49.8 | Very low | 53.2 | Low | 165 Ų | 165 | 109.3 Ų | 109.3 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -80.5 | -32.3 | -178.5 | -160.1 | 174.7 | -169.5 | -101.4 | 3 | 111.9 | R141 E142 E143 I149 | R141-R145 PolarHBondContact O-N 3.09Å; E142-R145 PolarHBondContact O-N 2.64Å; E142-R145 VanDerWaalsContact O-N 3.14Å; E143-R145 VanDerWaalsContact C-N 3.31Å; E143-R145 PolarHBondContact O-N 3.29Å; R145-I149 WeakPolarHBondContact O-CD1 3.17Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.39Å; R145-I149 PolarHBondContact O-N 3.14Å |
| 146 | E | 53.9 | Low | 53 | Low | 89 Ų | 89 | 114 Ų | 114 | 42% | 0.416 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -78.9 | -37.1 | 175.6 | -69.3 | -172.7 | 164.7 | 0 | 0 | 111.8 | R5 E142 E143 H148 I149 N150 | R5-E146 IonicContact CZ-OE1 3.37Å; R5-E146 IonicContact NH1-OE1 2.67Å; R5-E146 PolarHBondContact NH1-OE1 3.34Å; R5-E146 IonicContact NH2-OE1 3.4Å; R5-E146 PolarHBondContact NH2-OE1 2.92Å; E142-E146 PolarHBondContact O-N 3.39Å; E143-E146 PolarHBondContact O-N 3.25Å; E146-H148 PolarHBondContact O-N 3.05Å; E146-I149 PolarHBondContact O-N 3.18Å; E146-N150 VanDerWaalsContact O-CB 3.3Å; E146-N150 WeakPolarHBondContact O-CB 3.3Å; E146-N150 PolarHBondContact O-N 3.28Å |
| 147 | E | 52.8 | Low | 53 | Low | 120 Ų | 120 | 113.3 Ų | 113.3 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.7 | -42.5 | 170.4 | -81.7 | -168.2 | 131.6 | 0 | 0 | 112 | E143 I149 N150 A151 | E143-E147 VanDerWaalsContact O-CB 3.31Å; E143-E147 WeakPolarHBondContact O-CB 3.34Å; E143-E147 WeakPolarHBondContact O-CG 3.43Å; E143-E147 PolarHBondContact O-N 2.8Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.41Å; E147-N150 PolarHBondContact O-N 3.25Å; E147-A151 WeakPolarHBondContact O-CB 3.31Å; E147-A151 PolarHBondContact O-N 2.81Å |
| 148 | H | 52.5 | Low | 53 | Low | 140 Ų | 140 | 115.9 Ų | 115.9 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.7 | -35 | 177.4 | -91.1 | -107.2 | 0 | 0 | 0 | 112.9 | S144 E146 Q152 | S144-H148 WeakPolarHBondContact O-CB 3.24Å; S144-H148 PolarHBondContact O-CD2 2.96Å; S144-H148 PolarHBondContact O-N 2.67Å; E146-H148 PolarHBondContact O-N 3.05Å; H148-Q152 VanDerWaalsContact O-CB 3.3Å; H148-Q152 WeakPolarHBondContact O-CB 3.3Å; H148-Q152 PolarHBondContact O-N 3.49Å |
| 149 | I | 61.3 | Low | 53.1 | Low | 96 Ų | 96 | 121.2 Ų | 121.2 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.4 | -41.7 | 176.9 | -66.1 | 167.1 | 0 | 0 | 0 | 110.1 | R145 E146 E147 Q152 E153 | R145-I149 WeakPolarHBondContact O-CD1 3.17Å; R145-I149 VanDerWaalsContact O-CG1 3.24Å; R145-I149 WeakPolarHBondContact O-CG1 3.39Å; R145-I149 PolarHBondContact O-N 3.14Å; E146-I149 PolarHBondContact O-N 3.18Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 3.41Å; I149-Q152 PolarHBondContact O-N 3.41Å; I149-E153 PolarHBondContact O-N 3.02Å |
| 150 | N | 56.8 | Low | 52.8 | Low | 107 Ų | 107 | 124.7 Ų | 124.7 | 57% | 0.572 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.8 | -36.7 | -178 | -149.9 | 4.4 | 0 | 0 | 0 | 112.3 | E146 E147 Q152 E153 N154 | E146-N150 VanDerWaalsContact O-CB 3.3Å; E146-N150 WeakPolarHBondContact O-CB 3.3Å; E146-N150 PolarHBondContact O-N 3.28Å; E147-N150 PolarHBondContact O-N 3.25Å; N150-Q152 VanDerWaalsContact C-N 3.34Å; N150-E153 PolarHBondContact O-N 2.97Å; N150-N154 WeakPolarHBondContact O-CB 3.35Å; N150-N154 PolarHBondContact O-N 3.24Å |
| 151 | A | 58.5 | Low | 53.1 | Low | 63 Ų | 63 | 123.3 Ų | 123.3 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.7 | -37 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E147 N155 | E147-A151 WeakPolarHBondContact O-CB 3.31Å; E147-A151 PolarHBondContact O-N 2.81Å; A151-N155 WeakPolarHBondContact O-CB 3.36Å; A151-N155 PolarHBondContact O-N 3.1Å; A151-N155 VanDerWaalsContact O-N 3.1Å |
| 152 | Q | 56.3 | Low | 53.4 | Low | 153 Ų | 153 | 119.6 Ų | 119.6 | 72% | 0.715 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.2 | -34.9 | 177.2 | -159.5 | -173.3 | -70.9 | 0 | 0 | 112.1 | H148 I149 N150 K156 | H148-Q152 VanDerWaalsContact O-CB 3.3Å; H148-Q152 WeakPolarHBondContact O-CB 3.3Å; H148-Q152 PolarHBondContact O-N 3.49Å; I149-Q152 PolarHBondContact O-N 3.41Å; N150-Q152 VanDerWaalsContact C-N 3.34Å; Q152-K156 PolarHBondContact O-N 3.11Å |
| 153 | E | 57 | Low | 53.7 | Low | 125 Ų | 125 | 124.1 Ų | 124.1 | 58% | 0.584 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.5 | -47.2 | 174.4 | -170.2 | 174.7 | 114.7 | 0 | 0 | 111.6 | I149 N150 N155 K156 V157 | I149-E153 PolarHBondContact O-N 3.02Å; N150-E153 PolarHBondContact O-N 2.97Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.34Å; E153-K156 VanDerWaalsContact O-N 3.11Å; E153-V157 WeakPolarHBondContact O-CG2 3.4Å; E153-V157 PolarHBondContact O-N 3.37Å; E153-V157 VanDerWaalsContact O-N 3.14Å |
| 154 | N | 56.8 | Low | 53.9 | Low | 112 Ų | 112 | 123.9 Ų | 123.9 | 60% | 0.599 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.2 | -32.6 | -178.1 | -154.9 | 15.9 | 0 | 0 | 0 | 112.5 | N150 K156 V157 K158 | N150-N154 WeakPolarHBondContact O-CB 3.35Å; N150-N154 PolarHBondContact O-N 3.24Å; N154-K156 VanDerWaalsContact C-N 3.33Å; N154-V157 PolarHBondContact O-N 3.48Å; N154-K158 PolarHBondContact O-N 3.14Å |
| 155 | N | 55.3 | Low | 54.2 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 55% | 0.551 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.8 | -27.1 | 175.3 | -147 | 17.5 | 0 | 0 | 0 | 112.4 | A151 E153 | A151-N155 WeakPolarHBondContact O-CB 3.36Å; A151-N155 PolarHBondContact O-N 3.1Å; A151-N155 VanDerWaalsContact O-N 3.1Å; E153-N155 VanDerWaalsContact C-N 3.32Å; E153-N155 PolarHBondContact O-N 3.38Å |
| 156 | K | 53.8 | Low | 54.5 | Low | 161 Ų | 161 | 125.3 Ų | 125.3 | 70% | 0.7 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.9 | -38.8 | 173.1 | -114.8 | -164.2 | 177.3 | -155.9 | 0 | 112.5 | Q152 E153 N154 K158 | Q152-K156 PolarHBondContact O-N 3.11Å; E153-K156 WeakPolarHBondContact O-CB 3.48Å; E153-K156 PolarHBondContact O-N 3.34Å; E153-K156 VanDerWaalsContact O-N 3.11Å; N154-K156 VanDerWaalsContact C-N 3.33Å; K156-K158 VanDerWaalsContact C-N 3.32Å |
| 157 | V | 55.5 | Low | 54.5 | Low | 99 Ų | 99 | 127.9 Ų | 127.9 | 60% | 0.6 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70 | -30.3 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | E153 N154 | E153-V157 WeakPolarHBondContact O-CG2 3.4Å; E153-V157 PolarHBondContact O-N 3.37Å; E153-V157 VanDerWaalsContact O-N 3.14Å; N154-V157 PolarHBondContact O-N 3.48Å |
| 158 | K | 51.2 | Low | 54.7 | Low | 183 Ų | 183 | 128.5 Ų | 128.5 | 80% | 0.796 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -11.9 | -179.6 | -135.3 | 177.8 | -174.9 | -168.3 | 0 | 114.8 | N154 K156 | N154-K158 PolarHBondContact O-N 3.14Å; K156-K158 VanDerWaalsContact C-N 3.32Å |
| 159 | Q | 50.4 | Low | 54.8 | Low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 3.3 | 177.9 | -75.4 | -168.9 | -20.3 | 0 | 0 | 113.6 | ||
| 160 | S | 45 | Very low | 54.2 | Low | 165 Ų | 165 | 130.4 Ų | 130.4 | 100% | 1.154 | 69% | 0.687 | S | S | * | * | trans | -105.8 | 0 | 173.6 | -61.2 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 160 of 160 residues in 179.3 ms
(Link to these results)