| 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 | R | 46.6 | Very low | 76.5 | Confident | 303 Ų | 303 | 115.6 Ų | 115.6 | 100% | 1.143 | 55% | 0.548 | S | S | * | . | 0 | 112.6 | 0 | -78.6 | 178.3 | 178.1 | 164.5 | -0.6 | 106.4 | S3 | R1-S3 PolarHBondContact O-N 2.93Š| |||
| 2 | M | 52.9 | Low | 77.4 | Confident | 119 Ų | 119 | 116.3 Ų | 116.3 | 59% | 0.586 | 55% | 0.547 | S | S | * | . | trans | -55.6 | 137.2 | 172.8 | -88.6 | 168.1 | 61 | 0 | 0 | 109.3 | D6 | M2-D6 HydrophobicContact CB-CB 4.4Å; M2-D6 HydrophobicContact CE-CB 4.16Å; M2-D6 HydrophobicContact CG-CB 4.43Å | ||
| 3 | S | 75.6 | Confident | 78.2 | Confident | 63 Ų | 63 | 107.3 Ų | 107.3 | 44% | 0.441 | 51% | 0.505 | S | S | . | . | trans | -65.5 | 149.7 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | R1 R5 D6 T7 | R1-S3 PolarHBondContact O-N 2.93Å; S3-R5 PolarHBondContact O-N 3.27Å; S3-R5 VanDerWaalsContact O-N 3.14Å; S3-R5 PolarHBondContact OG-N 3.11Å; S3-D6 WeakPolarHBondContact CB-OD2 3.45Å; S3-D6 PolarHBondContact N-OD2 2.88Å; S3-D6 WeakPolarHBondContact O-CB 3.29Å; S3-D6 PolarHBondContact O-N 3.45Å; S3-T7 PolarHBondContact O-N 3.32Å | ||
| 4 | Q | 78.4 | Confident | 78.8 | Confident | 166 Ų | 166 | 102 Ų | 102 | 78% | 0.776 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -54.5 | -31.8 | 172 | -74.8 | -176.2 | -26.1 | 0 | 0 | 111.5 | L8 | Q4-L8 VanDerWaalsContact O-CG 3.31Å; Q4-L8 WeakPolarHBondContact O-CG 3.18Å; Q4-L8 PolarHBondContact O-N 3.34Å; Q4-L8 VanDerWaalsContact O-N 3.11Å |
| 5 | R | 80.6 | Confident | 79.3 | Confident | 150 Ų | 150 | 97.9 Ų | 97.9 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 172.9 | -177 | 178.1 | 169 | -178.7 | -6.9 | 111.7 | S3 T7 L8 V9 L310 | S3-R5 PolarHBondContact O-N 3.27Å; S3-R5 VanDerWaalsContact O-N 3.14Å; S3-R5 PolarHBondContact OG-N 3.11Å; R5-T7 PolarHBondContact O-N 2.95Å; R5-L8 PolarHBondContact O-N 2.86Å; R5-V9 HydrophobicContact CG-CG2 4.44Å; R5-V9 VanDerWaalsContact O-CG2 3.31Å; R5-V9 WeakPolarHBondContact O-CG2 3.44Å; R5-V9 PolarHBondContact O-N 3.24Å; R5-L310 PolarHBondContact NH2-O 2.71Å |
| 6 | D | 81.9 | Confident | 79.9 | Confident | 68 Ų | 68 | 93.9 Ų | 93.9 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | -178.2 | -52.9 | -27.9 | 0 | 0 | 0 | 110.6 | M2 S3 L8 V9 H10 | M2-D6 HydrophobicContact CB-CB 4.4Å; M2-D6 HydrophobicContact CE-CB 4.16Å; M2-D6 HydrophobicContact CG-CB 4.43Å; S3-D6 WeakPolarHBondContact CB-OD2 3.45Å; S3-D6 PolarHBondContact N-OD2 2.88Å; S3-D6 WeakPolarHBondContact O-CB 3.29Å; S3-D6 PolarHBondContact O-N 3.45Å; D6-L8 VanDerWaalsContact C-N 3.3Å; D6-L8 PolarHBondContact O-N 3.48Å; D6-V9 PolarHBondContact O-N 3.24Å; D6-H10 PolarHBondContact O-CD2 3.34Å; D6-H10 PolarHBondContact O-N 3.46Å |
| 7 | T | 83.3 | Confident | 80.4 | Confident | 75 Ų | 75 | 88.4 Ų | 88.4 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | S3 R5 L11 | S3-T7 PolarHBondContact O-N 3.32Å; R5-T7 PolarHBondContact O-N 2.95Å; T7-L11 VanDerWaalsContact O-CB 3.28Å; T7-L11 WeakPolarHBondContact O-CB 3.31Å; T7-L11 PolarHBondContact O-N 3.43Å |
| 8 | L | 84.4 | Confident | 80.8 | Confident | 115 Ų | 115 | 85.4 Ų | 85.4 | 60% | 0.602 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67 | -40.5 | 177.4 | -72 | 171.5 | 0 | 0 | 0 | 112.1 | Q4 R5 D6 L11 F12 | Q4-L8 VanDerWaalsContact O-CG 3.31Å; Q4-L8 WeakPolarHBondContact O-CG 3.18Å; Q4-L8 PolarHBondContact O-N 3.34Å; Q4-L8 VanDerWaalsContact O-N 3.11Å; R5-L8 PolarHBondContact O-N 2.86Å; D6-L8 VanDerWaalsContact C-N 3.3Å; D6-L8 PolarHBondContact O-N 3.48Å; L8-L11 PolarHBondContact O-N 3.11Å; L8-F12 VanDerWaalsContact O-CB 3.3Å; L8-F12 WeakPolarHBondContact O-CB 3.48Å; L8-F12 PolarHBondContact O-N 3.37Å |
| 9 | V | 87 | Confident | 81.3 | Confident | 20 Ų | 20 | 84.2 Ų | 84.2 | 12% | 0.121 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.9 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | R5 D6 L11 F12 A13 V307 L310 | R5-V9 HydrophobicContact CG-CG2 4.44Å; R5-V9 VanDerWaalsContact O-CG2 3.31Å; R5-V9 WeakPolarHBondContact O-CG2 3.44Å; R5-V9 PolarHBondContact O-N 3.24Å; D6-V9 PolarHBondContact O-N 3.24Å; V9-L11 PolarHBondContact O-N 3.38Å; V9-F12 PolarHBondContact O-N 3.01Å; V9-A13 VanDerWaalsContact O-CB 3.27Å; V9-A13 WeakPolarHBondContact O-CB 3.36Å; V9-A13 PolarHBondContact O-N 3.05Å; V9-V307 HydrophobicContact CG1-CG2 4.46Å; V9-L310 HydrophobicContact CG1-CB 3.79Å; V9-L310 HydrophobicContact CG1-CD1 4.26Å; V9-L310 HydrophobicContact CG2-CB 4.04Å; V9-L310 HydrophobicContact CG2-CD1 4.48Å |
| 10 | H | 85.9 | Confident | 81.8 | Confident | 66 Ų | 66 | 82.7 Ų | 82.7 | 31% | 0.306 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 177.9 | -69.2 | -61.9 | 0 | 0 | 0 | 112.6 | D6 G14 Y303 | D6-H10 PolarHBondContact O-CD2 3.34Å; D6-H10 PolarHBondContact O-N 3.46Å; H10-G14 PolarHBondContact O-N 3.28Å; H10-Y303 HydrophobicContact CB-CE2 4.49Å; H10-Y303 PolarHBondContact CE1-OH 2.88Å; H10-Y303 AromaticContact ND1-CE2 3.95Å; H10-Y303 AromaticContact ND1-CZ 3.59Å; H10-Y303 PolarHBondContact ND1-OH 3.03Å |
| 11 | L | 85 | Confident | 82.2 | Confident | 127 Ų | 127 | 78.7 Ų | 78.7 | 67% | 0.665 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 174.5 | -178.5 | 67.1 | 0 | 0 | 0 | 111.3 | T7 L8 V9 G14 G15 | T7-L11 VanDerWaalsContact O-CB 3.28Å; T7-L11 WeakPolarHBondContact O-CB 3.31Å; T7-L11 PolarHBondContact O-N 3.43Å; L8-L11 PolarHBondContact O-N 3.11Å; V9-L11 PolarHBondContact O-N 3.38Å; L11-G14 PolarHBondContact O-N 3.36Å; L11-G15 PolarHBondContact O-N 2.9Å |
| 12 | F | 87.7 | Confident | 84.2 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 178.8 | -174.5 | -101.7 | 0 | 0 | 0 | 111.6 | L8 V9 G14 G15 C16 V306 L310 | L8-F12 VanDerWaalsContact O-CB 3.3Å; L8-F12 WeakPolarHBondContact O-CB 3.48Å; L8-F12 PolarHBondContact O-N 3.37Å; V9-F12 PolarHBondContact O-N 3.01Å; F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 3.42Å; F12-G15 PolarHBondContact O-N 3.28Å; F12-G15 VanDerWaalsContact O-N 3.12Å; F12-C16 VanDerWaalsContact CE1-SG 3.54Å; F12-C16 PolarHBondContact O-N 3.28Å; F12-C16 PolarHBondContact O-SG 3.26Å; F12-V306 HydrophobicContact CD1-CG1 3.83Å; F12-V306 HydrophobicContact CE1-CG1 4.22Å; F12-L310 HydrophobicContact CD1-CD1 3.67Å; F12-L310 HydrophobicContact CE1-CD1 4.18Å |
| 13 | A | 87.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.6 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V9 C16 G17 Y303 V306 V307 | V9-A13 VanDerWaalsContact O-CB 3.27Å; V9-A13 WeakPolarHBondContact O-CB 3.36Å; V9-A13 PolarHBondContact O-N 3.05Å; A13-C16 PolarHBondContact O-N 3.38Å; A13-G17 PolarHBondContact O-N 3.33Å; A13-Y303 HydrophobicContact CB-CD2 3.55Å; A13-Y303 HydrophobicContact CB-CE2 3.94Å; A13-Y303 HydrophobicContact CB-CG 4.31Å; A13-V306 HydrophobicContact CB-CB 3.82Å; A13-V306 HydrophobicContact CB-CG1 3.69Å; A13-V307 HydrophobicContact CB-CG2 3.67Å |
| 14 | G | 85.9 | Confident | 86.9 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H10 L11 F12 G18 | H10-G14 PolarHBondContact O-N 3.28Å; L11-G14 PolarHBondContact O-N 3.36Å; F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 3.42Å; G14-G18 PolarHBondContact O-N 3.15Å |
| 15 | G | 87.1 | Confident | 87.5 | Confident | 41 Ų | 41 | 56.6 Ų | 56.6 | 42% | 0.423 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L11 F12 T19 | L11-G15 PolarHBondContact O-N 2.9Å; F12-G15 PolarHBondContact O-N 3.28Å; F12-G15 VanDerWaalsContact O-N 3.12Å; G15-T19 WeakPolarHBondContact O-CB 3.49Å; G15-T19 PolarHBondContact O-N 3.1Å; G15-T19 PolarHBondContact O-OG1 3.31Å |
| 16 | C | 88.6 | Confident | 88.1 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 174.7 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | F12 A13 G18 T19 V20 T302 V306 | F12-C16 VanDerWaalsContact CE1-SG 3.54Å; F12-C16 PolarHBondContact O-N 3.28Å; F12-C16 PolarHBondContact O-SG 3.26Å; A13-C16 PolarHBondContact O-N 3.38Å; C16-G18 VanDerWaalsContact C-N 3.35Å; C16-G18 PolarHBondContact O-N 2.71Å; C16-T19 PolarHBondContact O-N 3.34Å; C16-T19 VanDerWaalsContact O-N 3.12Å; C16-V20 WeakPolarHBondContact O-CG2 3.49Å; C16-V20 PolarHBondContact O-N 3.18Å; C16-T302 HydrophobicContact CB-CG2 4.32Å; C16-V306 HydrophobicContact CB-CG2 4.08Å |
| 17 | G | 88.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A13 T19 G21 | A13-G17 PolarHBondContact O-N 3.33Å; G17-T19 VanDerWaalsContact C-N 3.33Å; G17-T19 PolarHBondContact O-N 2.94Å; G17-G21 PolarHBondContact O-N 3.05Å |
| 18 | G | 86.7 | Confident | 89.1 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | G14 C16 A22 | G14-G18 PolarHBondContact O-N 3.15Å; C16-G18 VanDerWaalsContact C-N 3.35Å; C16-G18 PolarHBondContact O-N 2.71Å; G18-A22 VanDerWaalsContact O-CB 3.32Å; G18-A22 WeakPolarHBondContact O-CB 3.19Å; G18-A22 PolarHBondContact O-N 2.78Å |
| 19 | T | 90.2 | Very high | 89.4 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.5 | -49.8 | 179.1 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | G15 C16 G17 G21 A22 I23 L89 | G15-T19 WeakPolarHBondContact O-CB 3.49Å; G15-T19 PolarHBondContact O-N 3.1Å; G15-T19 PolarHBondContact O-OG1 3.31Å; C16-T19 PolarHBondContact O-N 3.34Å; C16-T19 VanDerWaalsContact O-N 3.12Å; G17-T19 VanDerWaalsContact C-N 3.33Å; G17-T19 PolarHBondContact O-N 2.94Å; T19-G21 VanDerWaalsContact C-N 3.35Å; T19-G21 PolarHBondContact O-N 2.69Å; T19-A22 PolarHBondContact O-N 3.39Å; T19-I23 HydrophobicContact CG2-CD1 4.03Å; T19-I23 WeakPolarHBondContact O-CG1 3.37Å; T19-I23 PolarHBondContact O-N 2.92Å; T19-L89 HydrophobicContact CG2-CD2 3.79Å |
| 20 | V | 92.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 33% | 0.327 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 178.2 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | C16 A22 I23 L24 I298 T302 | C16-V20 WeakPolarHBondContact O-CG2 3.49Å; C16-V20 PolarHBondContact O-N 3.18Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.74Å; V20-I23 PolarHBondContact O-N 3.23Å; V20-L24 HydrophobicContact CG1-CD1 3.87Å; V20-L24 HydrophobicContact CG1-CG 4.27Å; V20-L24 WeakPolarHBondContact O-CG 3.39Å; V20-L24 PolarHBondContact O-N 3.18Å; V20-I298 HydrophobicContact CB-CG2 4.33Å; V20-I298 HydrophobicContact CG1-CG2 3.75Å; V20-T302 HydrophobicContact CB-CG2 4.32Å; V20-T302 HydrophobicContact CG2-CG2 4.06Å |
| 21 | G | 90.3 | Very high | 90 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G17 T19 I23 T25 | G17-G21 PolarHBondContact O-N 3.05Å; T19-G21 VanDerWaalsContact C-N 3.35Å; T19-G21 PolarHBondContact O-N 2.69Å; G21-I23 PolarHBondContact O-N 2.96Å; G21-T25 WeakPolarHBondContact O-CB 3.34Å; G21-T25 WeakPolarHBondContact O-CG2 3.45Å; G21-T25 PolarHBondContact O-N 3.22Å; G21-T25 PolarHBondContact O-OG1 2.73Å |
| 22 | A | 88.3 | Confident | 90.3 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.8 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G18 T19 V20 C26 | G18-A22 VanDerWaalsContact O-CB 3.32Å; G18-A22 WeakPolarHBondContact O-CB 3.19Å; G18-A22 PolarHBondContact O-N 2.78Å; T19-A22 PolarHBondContact O-N 3.39Å; V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.74Å; A22-C26 WeakPolarHBondContact O-CB 3.36Å; A22-C26 PolarHBondContact O-N 3.13Å; A22-C26 VanDerWaalsContact O-N 3.16Å |
| 23 | I | 92.3 | Very high | 90.5 | Very high | 60 Ų | 60 | 28 Ų | 28 | 31% | 0.308 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.5 | -52.5 | 178.1 | -66.6 | 166.1 | 0 | 0 | 0 | 110.2 | T19 V20 G21 T25 C26 L85 | T19-I23 HydrophobicContact CG2-CD1 4.03Å; T19-I23 WeakPolarHBondContact O-CG1 3.37Å; T19-I23 PolarHBondContact O-N 2.92Å; V20-I23 PolarHBondContact O-N 3.23Å; G21-I23 PolarHBondContact O-N 2.96Å; I23-T25 VanDerWaalsContact C-N 3.34Å; I23-T25 PolarHBondContact O-N 3.34Å; I23-C26 WeakPolarHBondContact O-CB 3.47Å; I23-C26 PolarHBondContact O-N 3.34Å; I23-L85 HydrophobicContact CG1-CD1 4.05Å; I23-L85 HydrophobicContact CG1-CD2 4.14Å |
| 24 | L | 92.6 | Very high | 90.6 | Very high | 106 Ų | 106 | 28.7 Ų | 28.7 | 56% | 0.555 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -69.9 | -31.4 | -175 | -68 | -176.6 | 0 | 0 | 0 | 112.6 | V20 P27 I298 | V20-L24 HydrophobicContact CG1-CD1 3.87Å; V20-L24 HydrophobicContact CG1-CG 4.27Å; V20-L24 WeakPolarHBondContact O-CG 3.39Å; V20-L24 PolarHBondContact O-N 3.18Å; L24-P27 WeakPolarHBondContact O-CD 3.36Å; L24-I298 HydrophobicContact CB-CD1 3.68Å; L24-I298 HydrophobicContact CD1-CD1 3.76Å; L24-I298 HydrophobicContact CD1-CG1 4.11Å; L24-I298 HydrophobicContact CD1-CG2 3.98Å; L24-I298 HydrophobicContact CG-CD1 4.38Å |
| 25 | T | 92.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.9 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 114.1 | G21 I23 P27 L28 E29 R291 P294 N295 I298 | G21-T25 WeakPolarHBondContact O-CB 3.34Å; G21-T25 WeakPolarHBondContact O-CG2 3.45Å; G21-T25 PolarHBondContact O-N 3.22Å; G21-T25 PolarHBondContact O-OG1 2.73Å; I23-T25 VanDerWaalsContact C-N 3.34Å; I23-T25 PolarHBondContact O-N 3.34Å; T25-P27 VanDerWaalsContact C-CD 3.48Å; T25-L28 PolarHBondContact O-N 3.11Å; T25-L28 VanDerWaalsContact O-N 3.15Å; T25-E29 PolarHBondContact O-N 3.29Å; T25-E29 VanDerWaalsContact O-N 3.09Å; T25-R291 HydrophobicContact CG2-CG 4.34Å; T25-P294 HydrophobicContact CG2-CG 4.42Å; T25-N295 HydrophobicContact CG2-CB 3.89Å; T25-N295 PolarHBondContact OG1-OD1 3.27Å; T25-I298 HydrophobicContact CG2-CD1 4.23Å |
| 26 | C | 92.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.4 | -42.5 | 177.9 | -161 | 0 | 0 | 0 | 0 | 113.4 | A22 I23 L28 E29 V30 L81 F82 | A22-C26 WeakPolarHBondContact O-CB 3.36Å; A22-C26 PolarHBondContact O-N 3.13Å; A22-C26 VanDerWaalsContact O-N 3.16Å; I23-C26 WeakPolarHBondContact O-CB 3.47Å; I23-C26 PolarHBondContact O-N 3.34Å; C26-L28 VanDerWaalsContact C-N 3.29Å; C26-L28 PolarHBondContact O-N 2.98Å; C26-E29 WeakPolarHBondContact O-CB 3.19Å; C26-E29 PolarHBondContact O-N 3.13Å; C26-E29 VanDerWaalsContact O-N 3.11Å; C26-V30 PolarHBondContact O-N 2.83Å; C26-L81 CarbonylContact C-O 3.43Å; C26-L81 PolarHBondContact SG-O 2.98Å; C26-F82 HydrophobicContact CB-CD1 3.99Å; C26-F82 HydrophobicContact CB-CE1 4.37Å |
| 27 | P | 93.7 | Very high | 90.8 | Very high | 32 Ų | 32 | 24.3 Ų | 24.3 | 21% | 0.208 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57 | -40.9 | 176.7 | -27.7 | 37 | 0 | 0 | 0 | 113.6 | L24 T25 V30 V31 L81 F82 | L24-P27 WeakPolarHBondContact O-CD 3.36Å; T25-P27 VanDerWaalsContact C-CD 3.48Å; P27-V30 PolarHBondContact O-N 3.48Å; P27-V31 WeakPolarHBondContact O-CG2 3.24Å; P27-V31 PolarHBondContact O-N 3.49Å; P27-L81 HydrophobicContact CB-CB 4.05Å; P27-L81 HydrophobicContact CB-CD1 4.22Å; P27-L81 HydrophobicContact CB-CD2 4.25Å; P27-L81 HydrophobicContact CB-CG 4.41Å; P27-L81 HydrophobicContact CG-CB 4.15Å; P27-F82 HydrophobicContact CG-CZ 4.32Å |
| 28 | L | 92.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 25.2 Ų | 25.2 | 29% | 0.293 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -70.5 | -36.8 | 177.9 | -65.8 | 176.2 | 0 | 0 | 0 | 111.7 | T25 C26 K32 T287 R291 P294 | T25-L28 PolarHBondContact O-N 3.11Å; T25-L28 VanDerWaalsContact O-N 3.15Å; C26-L28 VanDerWaalsContact C-N 3.29Å; C26-L28 PolarHBondContact O-N 2.98Å; L28-K32 WeakPolarHBondContact O-CB 3.5Å; L28-K32 PolarHBondContact O-N 3.26Å; L28-T287 HydrophobicContact CB-CG2 4.31Å; L28-T287 HydrophobicContact CD2-CG2 4.29Å; L28-T287 VanDerWaalsContact O-CG2 3.22Å; L28-T287 WeakPolarHBondContact O-CG2 3.45Å; L28-R291 HydrophobicContact CB-CB 4.03Å; L28-R291 HydrophobicContact CB-CG 3.86Å; L28-R291 HydrophobicContact CD1-CB 3.99Å; L28-R291 HydrophobicContact CD1-CG 4.03Å; L28-P294 HydrophobicContact CD1-CG 4.26Å |
| 29 | E | 91.2 | Very high | 89.1 | Confident | 26 Ų | 26 | 26.2 Ų | 26.2 | 12% | 0.121 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 171.6 | -81.8 | -79.9 | 106.9 | 0 | 0 | 111.3 | T25 C26 V31 K32 T33 K144 R291 | T25-E29 PolarHBondContact O-N 3.29Å; T25-E29 VanDerWaalsContact O-N 3.09Å; C26-E29 WeakPolarHBondContact O-CB 3.19Å; C26-E29 PolarHBondContact O-N 3.13Å; C26-E29 VanDerWaalsContact O-N 3.11Å; E29-V31 PolarHBondContact O-N 2.97Å; E29-K32 WeakPolarHBondContact O-CB 3.15Å; E29-K32 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 3.04Å; E29-K144 IonicContact OE2-NZ 3.23Å; E29-K144 PolarHBondContact OE2-NZ 3.48Å; E29-R291 IonicContact OE1-CZ 3.96Å; E29-R291 IonicContact OE1-NE 3.4Å; E29-R291 PolarHBondContact OE1-NE 3.01Å; E29-R291 IonicContact OE1-NH1 3.82Å; E29-R291 IonicContact OE1-NH2 2.64Å; E29-R291 PolarHBondContact OE1-NH2 3.41Å |
| 30 | V | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | C26 P27 K32 T33 R34 I72 L81 Q148 | C26-V30 PolarHBondContact O-N 2.83Å; P27-V30 PolarHBondContact O-N 3.48Å; V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.32Å; V30-T33 PolarHBondContact O-N 2.95Å; V30-R34 HydrophobicContact CG1-CG 4.17Å; V30-R34 WeakPolarHBondContact O-CB 2.93Å; V30-R34 WeakPolarHBondContact O-CG 3.41Å; V30-R34 PolarHBondContact O-N 3.06Å; V30-I72 HydrophobicContact CG1-CD1 4.35Å; V30-L81 VanDerWaalsContact CG2-O 3.22Å; V30-L81 WeakPolarHBondContact CG2-O 2.96Å; V30-Q148 HydrophobicContact CG2-CG 4.24Å |
| 31 | V | 92.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.2 | P27 E29 R34 L35 P65 C68 L69 I72 T287 | P27-V31 WeakPolarHBondContact O-CG2 3.24Å; P27-V31 PolarHBondContact O-N 3.49Å; E29-V31 PolarHBondContact O-N 2.97Å; V31-R34 PolarHBondContact O-N 3.19Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.37Å; V31-L35 WeakPolarHBondContact O-CB 3.33Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.25Å; V31-P65 HydrophobicContact CG1-CB 4.21Å; V31-C68 HydrophobicContact CG1-CB 4.31Å; V31-L69 HydrophobicContact CG2-CB 4.08Å; V31-L69 HydrophobicContact CG2-CD1 4.07Å; V31-I72 HydrophobicContact CG2-CD1 4.15Å; V31-T287 HydrophobicContact CB-CG2 4.15Å; V31-T287 HydrophobicContact CG1-CG2 4.02Å |
| 32 | K | 93 | Very high | 84.1 | Confident | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.9 | -54.1 | 175.1 | 176 | -167.7 | 171.7 | 178.4 | 0 | 110.8 | L28 E29 V30 R34 L35 Q36 E249 T287 H288 | L28-K32 WeakPolarHBondContact O-CB 3.5Å; L28-K32 PolarHBondContact O-N 3.26Å; E29-K32 WeakPolarHBondContact O-CB 3.15Å; E29-K32 PolarHBondContact O-N 3.49Å; V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 PolarHBondContact O-N 3.32Å; K32-R34 VanDerWaalsContact C-N 3.29Å; K32-R34 PolarHBondContact O-N 3.38Å; K32-L35 PolarHBondContact O-N 3.01Å; K32-Q36 HydrophobicContact CG-CG 4.47Å; K32-Q36 VanDerWaalsContact O-CG 3.3Å; K32-Q36 WeakPolarHBondContact O-CG 3.23Å; K32-Q36 PolarHBondContact O-N 3.15Å; K32-E249 WeakPolarHBondContact CE-OE2 3.09Å; K32-E249 IonicContact NZ-OE1 2.67Å; K32-E249 PolarHBondContact NZ-OE1 3.42Å; K32-E249 IonicContact NZ-OE2 3.84Å; K32-E249 PolarHBondContact NZ-OE2 3.22Å; K32-T287 HydrophobicContact CB-CG2 4.01Å; K32-H288 HydrophobicContact CD-CB 3.74Å; K32-H288 HydrophobicContact CG-CB 4.31Å; K32-H288 PolarHBondContact NZ-CE1 3.43Å; K32-H288 VanDerWaalsContact NZ-CG 3.31Å; K32-H288 PolarHBondContact NZ-ND1 2.99Å |
| 33 | T | 91.1 | Very high | 82.4 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -38 | -177 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | E29 V30 Q36 S37 T145 Q148 L149 T253 | E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 3.04Å; V30-T33 PolarHBondContact O-N 2.95Å; T33-Q36 PolarHBondContact O-N 3.31Å; T33-S37 PolarHBondContact O-N 2.86Å; T33-T145 HydrophobicContact CG2-CG2 4.23Å; T33-Q148 HydrophobicContact CG2-CB 3.92Å; T33-Q148 PolarHBondContact OG1-OE1 3.45Å; T33-L149 HydrophobicContact CG2-CD2 3.87Å; T33-L149 HydrophobicContact CG2-CG 3.98Å; T33-T253 HydrophobicContact CG2-CG2 3.96Å |
| 34 | R | 89.3 | Confident | 80.5 | Confident | 13 Ų | 13 | 28.5 Ų | 28.5 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.3 | -68.6 | -73.2 | -160.2 | -163.8 | -1.2 | 112.4 | V30 V31 K32 Q36 S37 I40 I72 E76 Q148 L149 D150 S151 | V30-R34 HydrophobicContact CG1-CG 4.17Å; V30-R34 WeakPolarHBondContact O-CB 2.93Å; V30-R34 WeakPolarHBondContact O-CG 3.41Å; V30-R34 PolarHBondContact O-N 3.06Å; V31-R34 PolarHBondContact O-N 3.19Å; K32-R34 VanDerWaalsContact C-N 3.29Å; K32-R34 PolarHBondContact O-N 3.38Å; R34-Q36 VanDerWaalsContact C-N 3.29Å; R34-Q36 PolarHBondContact O-N 2.98Å; R34-S37 VanDerWaalsContact O-CB 3.29Å; R34-S37 WeakPolarHBondContact O-CB 3.46Å; R34-S37 PolarHBondContact O-N 2.8Å; R34-S37 VanDerWaalsContact O-N 3.08Å; R34-S37 PolarHBondContact O-OG 3.47Å; R34-I40 HydrophobicContact CB-CD1 4.44Å; R34-I72 HydrophobicContact CG-CD1 4.07Å; R34-E76 IonicContact CZ-OE1 3.89Å; R34-E76 IonicContact NE-OE1 2.72Å; R34-E76 VanDerWaalsContact NH2-CD 3.35Å; R34-E76 IonicContact NH2-OE1 4Å; R34-E76 PolarHBondContact NH2-OE1 3.42Å; R34-E76 IonicContact NH2-OE2 3.59Å; R34-E76 PolarHBondContact NH2-OE2 3.21Å; R34-E76 VanDerWaalsContact NH2-OE2 3.09Å; R34-Q148 WeakPolarHBondContact CD-O 3.39Å; R34-Q148 PolarHBondContact NE-O 3.33Å; R34-Q148 VanDerWaalsContact NE-O 3.11Å; R34-Q148 PolarHBondContact NH1-O 2.92Å; R34-L149 PolarHBondContact NH1-O 3.39Å; R34-D150 VanDerWaalsContact NH1-C 3.27Å; R34-D150 PolarHBondContact NH1-O 2.86Å; R34-D150 VanDerWaalsContact NH2-C 3.34Å; R34-D150 PolarHBondContact NH2-O 3.35Å; R34-S151 VanDerWaalsContact NH1-CB 3.34Å |
| 35 | L | 89.3 | Confident | 78.5 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 176.3 | -71.5 | 169.2 | 0 | 0 | 0 | 112.2 | V31 K32 S37 I40 P63 P65 C68 R283 T287 | V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.37Å; V31-L35 WeakPolarHBondContact O-CB 3.33Å; V31-L35 VanDerWaalsContact O-CG 3.27Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.25Å; K32-L35 PolarHBondContact O-N 3.01Å; L35-S37 PolarHBondContact O-N 2.74Å; L35-I40 HydrophobicContact CD2-CD1 4.08Å; L35-P63 HydrophobicContact CD2-CG 4.23Å; L35-P63 WeakPolarHBondContact CD2-O 3.22Å; L35-P65 HydrophobicContact CD1-CB 4.15Å; L35-P65 HydrophobicContact CD1-CG 4Å; L35-C68 HydrophobicContact CD2-CB 3.86Å; L35-C68 HydrophobicContact CG-CB 4.24Å; L35-R283 VanDerWaalsContact O-CB 3.23Å; L35-R283 WeakPolarHBondContact O-CB 3.45Å; L35-T287 WeakPolarHBondContact CD1-OG1 3.22Å |
| 36 | Q | 90 | Very high | 76.5 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.6 | -16.3 | 175.3 | -71.9 | -178.4 | -21.1 | 0 | 0 | 112.8 | K32 T33 R34 Y246 E249 V250 T253 R254 R283 | K32-Q36 HydrophobicContact CG-CG 4.47Å; K32-Q36 VanDerWaalsContact O-CG 3.3Å; K32-Q36 WeakPolarHBondContact O-CG 3.23Å; K32-Q36 PolarHBondContact O-N 3.15Å; T33-Q36 PolarHBondContact O-N 3.31Å; R34-Q36 VanDerWaalsContact C-N 3.29Å; R34-Q36 PolarHBondContact O-N 2.98Å; Q36-Y246 PolarHBondContact NE2-OH 3.42Å; Q36-E249 PolarHBondContact NE2-OE2 3.45Å; Q36-V250 HydrophobicContact CG-CG2 4.2Å; Q36-T253 HydrophobicContact CB-CG2 3.86Å; Q36-T253 PolarHBondContact OE1-OG1 3.49Å; Q36-R254 PolarHBondContact O-NE 2.93Å; Q36-R283 VanDerWaalsContact CG-O 3.26Å; Q36-R283 WeakPolarHBondContact CG-O 3.45Å |
| 37 | S | 87.4 | Confident | 74.5 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -77.2 | 157.1 | -175.4 | 79.5 | 0 | 0 | 0 | 0 | 114.3 | T33 R34 L35 I40 R254 E257 | T33-S37 PolarHBondContact O-N 2.86Å; R34-S37 VanDerWaalsContact O-CB 3.29Å; R34-S37 WeakPolarHBondContact O-CB 3.46Å; R34-S37 PolarHBondContact O-N 2.8Å; R34-S37 VanDerWaalsContact O-N 3.08Å; R34-S37 PolarHBondContact O-OG 3.47Å; L35-S37 PolarHBondContact O-N 2.74Å; S37-I40 PolarHBondContact OG-N 3.18Å; S37-R254 VanDerWaalsContact C-NH2 3.32Å; S37-R254 PolarHBondContact O-NH2 3.49Å; S37-E257 VanDerWaalsContact C-OE1 3.31Å; S37-E257 WeakPolarHBondContact CA-OE1 3.29Å; S37-E257 WeakPolarHBondContact CB-OE1 3.47Å |
| 38 | S | 73.3 | Confident | 72.2 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -76 | -33.2 | 170.2 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | I40 T41 E257 | S38-I40 VanDerWaalsContact C-N 3.28Å; S38-I40 PolarHBondContact O-N 2.71Å; S38-T41 PolarHBondContact O-N 3.49Å; S38-E257 VanDerWaalsContact CB-OE2 3.31Å; S38-E257 WeakPolarHBondContact CB-OE2 3.47Å; S38-E257 PolarHBondContact N-OE1 2.94Å; S38-E257 PolarHBondContact OG-OE2 3.46Å |
| 39 | S | 66 | Low | 70 | Confident | 57 Ų | 57 | 41.7 Ų | 41.7 | 40% | 0.399 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.7 | -28.5 | -175.1 | -49.5 | 0 | 0 | 0 | 0 | 113.2 | T41 L42 Y43 | S39-T41 PolarHBondContact O-N 2.84Å; S39-L42 PolarHBondContact O-N 2.83Å; S39-Y43 WeakPolarHBondContact O-CB 3.42Å; S39-Y43 PolarHBondContact O-N 3.28Å |
| 40 | I | 60.1 | Low | 68 | Low | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -29.9 | 177.6 | -159.2 | 164.8 | 0 | 0 | 0 | 112.7 | R34 L35 S37 S38 I44 P63 C68 | R34-I40 HydrophobicContact CB-CD1 4.44Å; L35-I40 HydrophobicContact CD2-CD1 4.08Å; S37-I40 PolarHBondContact OG-N 3.18Å; S38-I40 VanDerWaalsContact C-N 3.28Å; S38-I40 PolarHBondContact O-N 2.71Å; I40-I44 HydrophobicContact CG1-CD1 4.19Å; I40-I44 WeakPolarHBondContact O-CD1 3.45Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.28Å; I40-I44 PolarHBondContact O-N 2.93Å; I40-P63 HydrophobicContact CD1-CG 3.87Å; I40-P63 HydrophobicContact CG1-CG 4.11Å; I40-C68 HydrophobicContact CD1-CB 4.14Å; I40-C68 VanDerWaalsContact CD1-SG 3.53Å |
| 41 | T | 54.4 | Low | 66 | Low | 32 Ų | 32 | 50.4 Ų | 50.4 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.6 | -39.9 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | S38 S39 S45 R283 | S38-T41 PolarHBondContact O-N 3.49Å; S39-T41 PolarHBondContact O-N 2.84Å; T41-S45 PolarHBondContact O-N 2.7Å; T41-S45 VanDerWaalsContact O-N 3.1Å; T41-S45 PolarHBondContact O-OG 2.93Å; T41-S45 VanDerWaalsContact O-OG 3.06Å; T41-R283 PolarHBondContact OG1-NH1 3.29Å |
| 42 | L | 53.8 | Low | 63.9 | Low | 116 Ų | 116 | 54.1 Ų | 54.1 | 61% | 0.607 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71.4 | -43.3 | 179.1 | -65.9 | 174.4 | 0 | 0 | 0 | 112.5 | S39 I44 S45 E46 | S39-L42 PolarHBondContact O-N 2.83Å; L42-I44 VanDerWaalsContact C-N 3.27Å; L42-I44 PolarHBondContact O-N 3.01Å; L42-S45 PolarHBondContact O-N 3Å; L42-E46 PolarHBondContact O-N 2.89Å |
| 43 | Y | 51.4 | Low | 61.6 | Low | 58 Ų | 58 | 61.6 Ų | 61.6 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 178.3 | -170.8 | -98.2 | 0 | 0 | 0 | 111.8 | S39 V47 N153 | S39-Y43 WeakPolarHBondContact O-CB 3.42Å; S39-Y43 PolarHBondContact O-N 3.28Å; Y43-V47 HydrophobicContact CD1-CG2 4.38Å; Y43-V47 HydrophobicContact CE1-CG2 4.18Å; Y43-V47 VanDerWaalsContact O-CG2 3.26Å; Y43-V47 WeakPolarHBondContact O-CG2 3.39Å; Y43-V47 PolarHBondContact O-N 3.38Å; Y43-V47 VanDerWaalsContact O-N 3.14Å; Y43-N153 PolarHBondContact OH-OD1 2.71Å |
| 44 | I | 52.9 | Low | 59.6 | Low | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -75.1 | -40 | 177.6 | -68.1 | 173.4 | 0 | 0 | 0 | 111.3 | I40 L42 E46 V47 Q48 V60 P63 L71 | I40-I44 HydrophobicContact CG1-CD1 4.19Å; I40-I44 WeakPolarHBondContact O-CD1 3.45Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.28Å; I40-I44 PolarHBondContact O-N 2.93Å; L42-I44 VanDerWaalsContact C-N 3.27Å; L42-I44 PolarHBondContact O-N 3.01Å; I44-E46 PolarHBondContact O-N 3.34Å; I44-V47 PolarHBondContact O-N 3.38Å; I44-Q48 PolarHBondContact O-N 2.96Å; I44-V60 HydrophobicContact CB-CG1 4.38Å; I44-V60 HydrophobicContact CG2-CG1 3.69Å; I44-P63 HydrophobicContact CD1-CB 3.89Å; I44-P63 HydrophobicContact CD1-CG 3.45Å; I44-P63 VanDerWaalsContact CD1-CG 3.45Å; I44-L71 HydrophobicContact CD1-CD1 4.19Å; I44-L71 HydrophobicContact CG1-CD1 4.32Å |
| 45 | S | 49.8 | Very low | 57.4 | Low | 49 Ų | 49 | 69.3 Ų | 69.3 | 34% | 0.343 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.4 | -39.7 | 172.6 | -67.5 | 0 | 0 | 0 | 0 | 112 | T41 L42 L49 | T41-S45 PolarHBondContact O-N 2.7Å; T41-S45 VanDerWaalsContact O-N 3.1Å; T41-S45 PolarHBondContact O-OG 2.93Å; T41-S45 VanDerWaalsContact O-OG 3.06Å; L42-S45 PolarHBondContact O-N 3Å; S45-L49 WeakPolarHBondContact O-CB 3.33Å; S45-L49 PolarHBondContact O-N 3.15Å |
| 46 | E | 50.1 | Low | 55.1 | Low | 137 Ų | 137 | 74 Ų | 74 | 64% | 0.64 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.4 | -38.5 | 179.3 | -160.2 | 171.4 | -165 | 0 | 0 | 112.6 | L42 I44 S50 | L42-E46 PolarHBondContact O-N 2.89Å; I44-E46 PolarHBondContact O-N 3.34Å; E46-S50 PolarHBondContact O-N 3.49Å; E46-S50 VanDerWaalsContact O-N 3.16Å; E46-S50 PolarHBondContact O-OG 3.37Å |
| 47 | V | 50.8 | Low | 52.9 | Low | 57 Ų | 57 | 81 Ų | 81 | 35% | 0.345 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 175.6 | 171 | 0 | 0 | 0 | 0 | 112 | Y43 I44 S50 T51 | Y43-V47 HydrophobicContact CD1-CG2 4.38Å; Y43-V47 HydrophobicContact CE1-CG2 4.18Å; Y43-V47 VanDerWaalsContact O-CG2 3.26Å; Y43-V47 WeakPolarHBondContact O-CG2 3.39Å; Y43-V47 PolarHBondContact O-N 3.38Å; Y43-V47 VanDerWaalsContact O-N 3.14Å; I44-V47 PolarHBondContact O-N 3.38Å; V47-S50 PolarHBondContact O-N 2.86Å; V47-T51 PolarHBondContact O-N 3.05Å; V47-T51 PolarHBondContact O-OG1 3.38Å |
| 48 | Q | 46.1 | Very low | 50.7 | Low | 89 Ų | 89 | 83.6 Ų | 83.6 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.7 | -33 | 177 | -104.7 | 157.4 | -60.1 | 0 | 0 | 112.8 | I44 S50 T51 V52 | I44-Q48 PolarHBondContact O-N 2.96Å; Q48-S50 PolarHBondContact O-N 3.37Å; Q48-T51 WeakPolarHBondContact CA-OG1 3.42Å; Q48-T51 PolarHBondContact O-N 3.11Å; Q48-T51 PolarHBondContact O-OG1 3.23Å; Q48-V52 PolarHBondContact O-N 3.45Å; Q48-V52 VanDerWaalsContact O-N 3.09Å |
| 49 | L | 47.4 | Very low | 49.4 | Very low | 149 Ų | 149 | 94.3 Ų | 94.3 | 78% | 0.78 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -34.1 | 172.3 | -141.8 | 80.2 | 0 | 0 | 0 | 111.9 | S45 T51 | S45-L49 WeakPolarHBondContact O-CB 3.33Å; S45-L49 PolarHBondContact O-N 3.15Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 2.93Å |
| 50 | S | 47.7 | Very low | 48.6 | Very low | 102 Ų | 102 | 93.8 Ų | 93.8 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.4 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 113.8 | E46 V47 Q48 | E46-S50 PolarHBondContact O-N 3.49Å; E46-S50 VanDerWaalsContact O-N 3.16Å; E46-S50 PolarHBondContact O-OG 3.37Å; V47-S50 PolarHBondContact O-N 2.86Å; Q48-S50 PolarHBondContact O-N 3.37Å |
| 51 | T | 50.6 | Low | 48.3 | Very low | 106 Ų | 106 | 97.8 Ų | 97.8 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | -14.3 | -177.8 | 34.6 | 0 | 0 | 0 | 0 | 114.2 | V47 Q48 L49 | V47-T51 PolarHBondContact O-N 3.05Å; V47-T51 PolarHBondContact O-OG1 3.38Å; Q48-T51 WeakPolarHBondContact CA-OG1 3.42Å; Q48-T51 PolarHBondContact O-N 3.11Å; Q48-T51 PolarHBondContact O-OG1 3.23Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 2.93Å |
| 52 | V | 47.2 | Very low | 48.5 | Very low | 83 Ų | 83 | 99.5 Ų | 99.5 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | trans | -117.4 | 94.4 | -178.3 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | Q48 G54 | Q48-V52 PolarHBondContact O-N 3.45Å; Q48-V52 VanDerWaalsContact O-N 3.09Å; V52-G54 PolarHBondContact O-N 3.19Å | ||
| 53 | N | 44.4 | Very low | 49.3 | Very low | 170 Ų | 170 | 94.9 Ų | 94.9 | 91% | 0.909 | 55% | 0.55 | S | S | * | * | trans | -67 | 100.3 | 162.3 | -87.1 | -12.5 | 0 | 0 | 0 | 108.9 | ||||
| 54 | G | 49.7 | Very low | 50.7 | Low | 51 Ų | 51 | 94 Ų | 94 | 53% | 0.526 | 56% | 0.559 | S | S | . | * | S | Bend | trans | 83.5 | 131.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V52 | V52-G54 PolarHBondContact O-N 3.19Š|
| 55 | T | 43.4 | Very low | 52.4 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 80% | 0.804 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 77.9 | 123.2 | 165.3 | 68.9 | 0 | 0 | 0 | 0 | 117.9 | ||
| 56 | S | 40.1 | Very low | 54.2 | Low | 107 Ų | 107 | 100.1 Ų | 100.1 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | trans | 77.6 | 105.7 | 176.3 | 73 | 0 | 0 | 0 | 0 | 117 | A58 | S56-A58 PolarHBondContact O-N 3.5Š| ||
| 57 | V | 43.9 | Very low | 56 | Low | 152 Ų | 152 | 98 Ų | 98 | 92% | 0.921 | 58% | 0.58 | S | S | * | * | trans | -67.5 | 80.1 | 160 | -175.4 | 0 | 0 | 0 | 0 | 106.8 | R59 | V57-R59 PolarHBondContact O-N 2.58Š| ||
| 58 | A | 41.7 | Very low | 57.7 | Low | 59 Ų | 59 | 95.5 Ų | 95.5 | 49% | 0.488 | 56% | 0.564 | S | S | . | * | trans | -57.8 | 124.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | S56 V60 | S56-A58 PolarHBondContact O-N 3.5Å; A58-V60 PolarHBondContact O-N 2.74Å | ||
| 59 | R | 45 | Very low | 59.8 | Low | 243 Ų | 243 | 93.9 Ų | 93.9 | 92% | 0.917 | 56% | 0.558 | S | S | * | * | trans | -52.5 | 109.6 | 170.6 | -77.4 | -179.5 | 177 | 158.8 | -0.5 | 107.3 | V57 S61 | V57-R59 PolarHBondContact O-N 2.58Å; R59-S61 PolarHBondContact O-N 2.85Å | ||
| 60 | V | 50.3 | Low | 61.8 | Low | 46 Ų | 46 | 92.4 Ų | 92.4 | 28% | 0.279 | 55% | 0.546 | S | S | . | . | trans | -61.8 | 105 | -178.4 | 178.9 | 0 | 0 | 0 | 0 | 107.8 | I44 A58 | I44-V60 HydrophobicContact CB-CG1 4.38Å; I44-V60 HydrophobicContact CG2-CG1 3.69Å; A58-V60 PolarHBondContact O-N 2.74Å | ||
| 61 | S | 53.5 | Low | 63.6 | Low | 103 Ų | 103 | 89 Ų | 89 | 72% | 0.72 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 126.9 | 170.1 | -79.3 | 0 | 0 | 0 | 0 | 107.8 | R59 | R59-S61 PolarHBondContact O-N 2.85Š|
| 62 | P | 59.8 | Low | 65.4 | Low | 67 Ų | 67 | 84.3 Ų | 84.3 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 134 | 179.1 | 23.5 | -31.5 | 0 | 0 | 0 | 109.1 | ||
| 63 | P | 68.8 | Low | 67.5 | Low | 19 Ų | 19 | 83.7 Ų | 83.7 | 12% | 0.123 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 140.4 | -175.9 | 30 | -39.2 | 0 | 0 | 0 | 110.4 | L35 I40 I44 H67 | L35-P63 HydrophobicContact CD2-CG 4.23Å; L35-P63 WeakPolarHBondContact CD2-O 3.22Å; I40-P63 HydrophobicContact CD1-CG 3.87Å; I40-P63 HydrophobicContact CG1-CG 4.11Å; I44-P63 HydrophobicContact CD1-CB 3.89Å; I44-P63 HydrophobicContact CD1-CG 3.45Å; I44-P63 VanDerWaalsContact CD1-CG 3.45Å; P63-H67 HydrophobicContact CB-CB 4.13Å |
| 64 | G | 82.3 | Confident | 69.5 | Low | 39 Ų | 39 | 81 Ų | 81 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 162.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L66 H67 C68 | G64-L66 VanDerWaalsContact C-N 3.28Å; G64-L66 PolarHBondContact O-N 3.34Å; G64-H67 PolarHBondContact O-N 3.2Å; G64-H67 VanDerWaalsContact O-N 3.1Å; G64-C68 PolarHBondContact O-N 3.14Å |
| 65 | P | 87 | Confident | 71.1 | Confident | 46 Ų | 46 | 82.7 Ų | 82.7 | 30% | 0.299 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -54.6 | -39.8 | 178.9 | -27 | 35 | 0 | 0 | 0 | 114.6 | V31 L35 C68 L69 T287 | V31-P65 HydrophobicContact CG1-CB 4.21Å; L35-P65 HydrophobicContact CD1-CB 4.15Å; L35-P65 HydrophobicContact CD1-CG 4Å; P65-C68 PolarHBondContact O-N 2.84Å; P65-L69 WeakPolarHBondContact O-CB 3.48Å; P65-L69 PolarHBondContact O-N 2.71Å; P65-T287 WeakPolarHBondContact CB-OG1 3.5Å; P65-T287 WeakPolarHBondContact CG-OG1 3.36Å |
| 66 | L | 89.1 | Confident | 73.1 | Confident | 146 Ų | 146 | 76.8 Ų | 76.8 | 76% | 0.764 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.8 | -38.5 | 178.8 | -63.6 | 176.8 | 0 | 0 | 0 | 112.2 | G64 L69 K70 | G64-L66 VanDerWaalsContact C-N 3.28Å; G64-L66 PolarHBondContact O-N 3.34Å; L66-L69 PolarHBondContact O-N 3.06Å; L66-K70 WeakPolarHBondContact O-CB 3.47Å; L66-K70 PolarHBondContact O-N 3.32Å |
| 67 | H | 86.9 | Confident | 75.4 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.5 | -172.5 | 81.9 | 0 | 0 | 0 | 110.9 | P63 G64 L69 K70 L71 | P63-H67 HydrophobicContact CB-CB 4.13Å; G64-H67 PolarHBondContact O-N 3.2Å; G64-H67 VanDerWaalsContact O-N 3.1Å; H67-L69 VanDerWaalsContact C-N 3.35Å; H67-L69 PolarHBondContact O-N 3.27Å; H67-K70 PolarHBondContact O-N 3.06Å; H67-L71 WeakPolarHBondContact NE2-CD1 3.39Å; H67-L71 WeakPolarHBondContact O-CG 3.49Å; H67-L71 PolarHBondContact O-N 3.23Å |
| 68 | C | 87.7 | Confident | 77.5 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.02 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | V31 L35 I40 G64 P65 L71 I72 | V31-C68 HydrophobicContact CG1-CB 4.31Å; L35-C68 HydrophobicContact CD2-CB 3.86Å; L35-C68 HydrophobicContact CG-CB 4.24Å; I40-C68 HydrophobicContact CD1-CB 4.14Å; I40-C68 VanDerWaalsContact CD1-SG 3.53Å; G64-C68 PolarHBondContact O-N 3.14Å; P65-C68 PolarHBondContact O-N 2.84Å; C68-L71 PolarHBondContact O-N 3.26Å; C68-I72 VanDerWaalsContact O-CG1 3.3Å; C68-I72 WeakPolarHBondContact O-CG1 3.28Å; C68-I72 PolarHBondContact O-N 2.97Å |
| 69 | L | 90.4 | Very high | 79.7 | Confident | 55 Ų | 55 | 75.1 Ų | 75.1 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 175.6 | 177.4 | 60.5 | 0 | 0 | 0 | 111.9 | V31 P65 L66 H67 L71 I72 L73 L81 | V31-L69 HydrophobicContact CG2-CB 4.08Å; V31-L69 HydrophobicContact CG2-CD1 4.07Å; P65-L69 WeakPolarHBondContact O-CB 3.48Å; P65-L69 PolarHBondContact O-N 2.71Å; L66-L69 PolarHBondContact O-N 3.06Å; H67-L69 VanDerWaalsContact C-N 3.35Å; H67-L69 PolarHBondContact O-N 3.27Å; L69-L71 VanDerWaalsContact C-N 3.35Å; L69-L71 PolarHBondContact O-N 3.17Å; L69-I72 PolarHBondContact O-N 3Å; L69-L73 HydrophobicContact CD1-CD1 4.22Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CG-CD1 4.19Å; L69-L73 WeakPolarHBondContact O-CG 3.19Å; L69-L73 PolarHBondContact O-N 3.1Å; L69-L81 HydrophobicContact CD1-CD1 3.99Å; L69-L81 HydrophobicContact CD1-CD2 3.7Å; L69-L81 HydrophobicContact CD1-CG 4.5Å |
| 70 | K | 89.3 | Confident | 81.7 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 177.7 | -175.6 | 175.8 | 176 | 178.1 | 0 | 111.4 | L66 H67 I72 L73 E74 | L66-K70 WeakPolarHBondContact O-CB 3.47Å; L66-K70 PolarHBondContact O-N 3.32Å; H67-K70 PolarHBondContact O-N 3.06Å; K70-I72 PolarHBondContact O-N 3.03Å; K70-L73 PolarHBondContact O-N 3.4Å; K70-E74 WeakPolarHBondContact CE-OE1 3.42Å; K70-E74 HydrophobicContact CG-CG 4.38Å; K70-E74 IonicContact NZ-OE1 2.65Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 WeakPolarHBondContact O-CG 3.44Å; K70-E74 PolarHBondContact O-N 3.16Å |
| 71 | L | 85.6 | Confident | 83.7 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 177 | -74.3 | 174.7 | 0 | 0 | 0 | 112.5 | I44 H67 C68 L69 L73 E74 K75 | I44-L71 HydrophobicContact CD1-CD1 4.19Å; I44-L71 HydrophobicContact CG1-CD1 4.32Å; H67-L71 WeakPolarHBondContact NE2-CD1 3.39Å; H67-L71 WeakPolarHBondContact O-CG 3.49Å; H67-L71 PolarHBondContact O-N 3.23Å; C68-L71 PolarHBondContact O-N 3.26Å; L69-L71 VanDerWaalsContact C-N 3.35Å; L69-L71 PolarHBondContact O-N 3.17Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3.41Å; L71-E74 PolarHBondContact O-N 3.31Å; L71-K75 VanDerWaalsContact O-CB 3.28Å; L71-K75 WeakPolarHBondContact O-CB 3.3Å; L71-K75 WeakPolarHBondContact O-CG 3.37Å; L71-K75 PolarHBondContact O-N 3.09Å |
| 72 | I | 88.2 | Confident | 85.5 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.2 | -65.8 | 162.8 | 0 | 0 | 0 | 110.4 | V30 V31 R34 C68 L69 K70 E76 G77 L81 | V30-I72 HydrophobicContact CG1-CD1 4.35Å; V31-I72 HydrophobicContact CG2-CD1 4.15Å; R34-I72 HydrophobicContact CG-CD1 4.07Å; C68-I72 VanDerWaalsContact O-CG1 3.3Å; C68-I72 WeakPolarHBondContact O-CG1 3.28Å; C68-I72 PolarHBondContact O-N 2.97Å; L69-I72 PolarHBondContact O-N 3Å; K70-I72 PolarHBondContact O-N 3.03Å; I72-E76 WeakPolarHBondContact O-CA 3.46Å; I72-E76 WeakPolarHBondContact O-CB 3.39Å; I72-E76 PolarHBondContact O-N 3.22Å; I72-G77 PolarHBondContact O-N 3.39Å; I72-L81 HydrophobicContact CD1-CD2 4.45Å; I72-L81 HydrophobicContact CG2-CD2 3.93Å; I72-L81 HydrophobicContact CG2-CG 4.32Å |
| 73 | L | 90.1 | Very high | 86.9 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | -179.5 | -71.8 | 176.3 | 0 | 0 | 0 | 112.3 | L69 K70 L71 G77 P78 L81 | L69-L73 HydrophobicContact CD1-CD1 4.22Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CG-CD1 4.19Å; L69-L73 WeakPolarHBondContact O-CG 3.19Å; L69-L73 PolarHBondContact O-N 3.1Å; K70-L73 PolarHBondContact O-N 3.4Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3.41Å; L73-G77 WeakPolarHBondContact O-CA 3.31Å; L73-G77 PolarHBondContact O-N 3.45Å; L73-P78 HydrophobicContact CD2-CB 4.01Å; L73-L81 HydrophobicContact CD2-CD1 3.69Å; L73-L81 HydrophobicContact CD2-CG 4.49Å; L73-L81 HydrophobicContact CG-CD1 4.46Å |
| 74 | E | 86.6 | Confident | 87.7 | Confident | 112 Ų | 112 | 59 Ų | 59 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.4 | -43.6 | -178.7 | -71.6 | 177.9 | 171.1 | 0 | 0 | 112.5 | K70 L71 | K70-E74 WeakPolarHBondContact CE-OE1 3.42Å; K70-E74 HydrophobicContact CG-CG 4.38Å; K70-E74 IonicContact NZ-OE1 2.65Å; K70-E74 WeakPolarHBondContact O-CB 3.37Å; K70-E74 WeakPolarHBondContact O-CG 3.44Å; K70-E74 PolarHBondContact O-N 3.16Å; L71-E74 PolarHBondContact O-N 3.31Å |
| 75 | K | 83.8 | Confident | 88.1 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -91 | -37.5 | -171.8 | -62.7 | -67.7 | -173.9 | 177.6 | 0 | 114 | L71 N153 R154 | L71-K75 VanDerWaalsContact O-CB 3.28Å; L71-K75 WeakPolarHBondContact O-CB 3.3Å; L71-K75 WeakPolarHBondContact O-CG 3.37Å; L71-K75 PolarHBondContact O-N 3.09Å; K75-N153 CarbonylContact O-C 3.56Å; K75-R154 WeakPolarHBondContact O-CB 3.33Å; K75-R154 PolarHBondContact O-N 2.72Å |
| 76 | E | 85.8 | Confident | 88.3 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -25.8 | -175.3 | -46 | -173.8 | -151.9 | 0 | 0 | 113.6 | R34 I72 S80 R83 S151 R152 R158 | R34-E76 IonicContact CZ-OE1 3.89Å; R34-E76 IonicContact NE-OE1 2.72Å; R34-E76 VanDerWaalsContact NH2-CD 3.35Å; R34-E76 IonicContact NH2-OE1 4Å; R34-E76 PolarHBondContact NH2-OE1 3.42Å; R34-E76 IonicContact NH2-OE2 3.59Å; R34-E76 PolarHBondContact NH2-OE2 3.21Å; R34-E76 VanDerWaalsContact NH2-OE2 3.09Å; I72-E76 WeakPolarHBondContact O-CA 3.46Å; I72-E76 WeakPolarHBondContact O-CB 3.39Å; I72-E76 PolarHBondContact O-N 3.22Å; E76-S80 VanDerWaalsContact CB-OG 3.22Å; E76-S80 WeakPolarHBondContact CB-OG 3.41Å; E76-S80 WeakPolarHBondContact OE2-CB 3.47Å; E76-S80 PolarHBondContact OE2-OG 2.93Å; E76-R83 IonicContact OE2-CZ 3.7Å; E76-R83 IonicContact OE2-NE 3.15Å; E76-R83 IonicContact OE2-NH2 3.64Å; E76-S151 PolarHBondContact OE1-OG 2.83Å; E76-R152 WeakPolarHBondContact CG-O 3.18Å; E76-R158 PolarHBondContact O-NH2 2.94Å |
| 77 | G | 87.1 | Confident | 88.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | trans | 90.4 | 165.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | I72 L73 R79 S80 | I72-G77 PolarHBondContact O-N 3.39Å; L73-G77 WeakPolarHBondContact O-CA 3.31Å; L73-G77 PolarHBondContact O-N 3.45Å; G77-R79 VanDerWaalsContact C-N 3.28Å; G77-R79 PolarHBondContact O-N 3.5Å; G77-S80 WeakPolarHBondContact O-CB 3.31Å; G77-S80 PolarHBondContact O-N 3.49Å | ||
| 78 | P | 89.2 | Confident | 88.5 | Confident | 84 Ų | 84 | 48.9 Ų | 48.9 | 55% | 0.545 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -62.9 | -30 | -170.5 | 23.9 | -34.7 | 0 | 0 | 0 | 114.1 | L73 S80 L81 | L73-P78 HydrophobicContact CD2-CB 4.01Å; P78-S80 PolarHBondContact O-N 2.83Å; P78-S80 VanDerWaalsContact O-N 3.16Å; P78-L81 WeakPolarHBondContact O-CB 3.15Å; P78-L81 PolarHBondContact O-N 2.83Å; P78-L81 VanDerWaalsContact O-N 3.14Å |
| 79 | R | 88.1 | Confident | 88.7 | Confident | 195 Ų | 195 | 52 Ų | 52 | 74% | 0.736 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.2 | 176.6 | -68.6 | -176.8 | 178.7 | 174.3 | -0.6 | 113 | G77 L81 F82 R158 | G77-R79 VanDerWaalsContact C-N 3.28Å; G77-R79 PolarHBondContact O-N 3.5Å; R79-L81 PolarHBondContact O-N 3.06Å; R79-F82 PolarHBondContact O-N 3.44Å; R79-R158 VanDerWaalsContact CB-NH1 3.25Å |
| 80 | S | 87.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -68.3 | -22.7 | 176.5 | -87.6 | 0 | 0 | 0 | 0 | 113.4 | E76 G77 P78 F82 R83 | E76-S80 VanDerWaalsContact CB-OG 3.22Å; E76-S80 WeakPolarHBondContact CB-OG 3.41Å; E76-S80 WeakPolarHBondContact OE2-CB 3.47Å; E76-S80 PolarHBondContact OE2-OG 2.93Å; G77-S80 WeakPolarHBondContact O-CB 3.31Å; G77-S80 PolarHBondContact O-N 3.49Å; P78-S80 PolarHBondContact O-N 2.83Å; P78-S80 VanDerWaalsContact O-N 3.16Å; S80-F82 PolarHBondContact O-N 3.23Å; S80-F82 VanDerWaalsContact O-N 3.16Å; S80-R83 WeakPolarHBondContact O-CB 3.37Å; S80-R83 WeakPolarHBondContact O-CG 3.32Å; S80-R83 PolarHBondContact O-N 3.32Å; S80-R83 VanDerWaalsContact O-N 3.14Å; S80-R83 PolarHBondContact OG-NE 2.98Å; S80-R83 PolarHBondContact OG-NH2 3.35Å |
| 81 | L | 90.9 | Very high | 88.6 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -68.1 | -11 | 177.8 | -66 | 172.3 | 0 | 0 | 0 | 113.8 | C26 P27 V30 L69 I72 L73 P78 R79 | C26-L81 CarbonylContact C-O 3.43Å; C26-L81 PolarHBondContact SG-O 2.98Å; P27-L81 HydrophobicContact CB-CB 4.05Å; P27-L81 HydrophobicContact CB-CD1 4.22Å; P27-L81 HydrophobicContact CB-CD2 4.25Å; P27-L81 HydrophobicContact CB-CG 4.41Å; P27-L81 HydrophobicContact CG-CB 4.15Å; V30-L81 VanDerWaalsContact CG2-O 3.22Å; V30-L81 WeakPolarHBondContact CG2-O 2.96Å; L69-L81 HydrophobicContact CD1-CD1 3.99Å; L69-L81 HydrophobicContact CD1-CD2 3.7Å; L69-L81 HydrophobicContact CD1-CG 4.5Å; I72-L81 HydrophobicContact CD1-CD2 4.45Å; I72-L81 HydrophobicContact CG2-CD2 3.93Å; I72-L81 HydrophobicContact CG2-CG 4.32Å; L73-L81 HydrophobicContact CD2-CD1 3.69Å; L73-L81 HydrophobicContact CD2-CG 4.49Å; L73-L81 HydrophobicContact CG-CD1 4.46Å; P78-L81 WeakPolarHBondContact O-CB 3.15Å; P78-L81 PolarHBondContact O-N 2.83Å; P78-L81 VanDerWaalsContact O-N 3.14Å; R79-L81 PolarHBondContact O-N 3.06Å |
| 82 | F | 91.8 | Very high | 88.8 | Confident | 95 Ų | 95 | 50 Ų | 50 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -108.4 | 12.9 | 177.3 | -61.1 | -84.6 | 0 | 0 | 0 | 112.7 | C26 P27 R79 S80 L85 | C26-F82 HydrophobicContact CB-CD1 3.99Å; C26-F82 HydrophobicContact CB-CE1 4.37Å; P27-F82 HydrophobicContact CG-CZ 4.32Å; R79-F82 PolarHBondContact O-N 3.44Å; S80-F82 PolarHBondContact O-N 3.23Å; S80-F82 VanDerWaalsContact O-N 3.16Å; F82-L85 HydrophobicContact CD1-CD2 4.23Å; F82-L85 WeakPolarHBondContact O-CB 3.4Å; F82-L85 PolarHBondContact O-N 3.24Å |
| 83 | R | 88.7 | Confident | 88.7 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 139.8 | 175.6 | -77.1 | 176.8 | -176.2 | -126.1 | 11.8 | 110.8 | E76 S80 L85 L147 Q148 D150 | E76-R83 IonicContact OE2-CZ 3.7Å; E76-R83 IonicContact OE2-NE 3.15Å; E76-R83 IonicContact OE2-NH2 3.64Å; S80-R83 WeakPolarHBondContact O-CB 3.37Å; S80-R83 WeakPolarHBondContact O-CG 3.32Å; S80-R83 PolarHBondContact O-N 3.32Å; S80-R83 VanDerWaalsContact O-N 3.14Å; S80-R83 PolarHBondContact OG-NE 2.98Å; S80-R83 PolarHBondContact OG-NH2 3.35Å; R83-L85 PolarHBondContact O-N 3.47Å; R83-L147 WeakPolarHBondContact CD-O 3.46Å; R83-Q148 WeakPolarHBondContact O-CG 3.26Å; R83-D150 VanDerWaalsContact CZ-O 3.28Å; R83-D150 IonicContact CZ-OD2 3.19Å; R83-D150 PolarHBondContact NH1-O 2.92Å; R83-D150 IonicContact NH1-OD2 2.68Å; R83-D150 PolarHBondContact NH1-OD2 3.49Å |
| 84 | G | 87.3 | Confident | 88.8 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -1.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | G86 P87 N88 | G84-G86 PolarHBondContact O-N 2.98Å; G84-P87 WeakPolarHBondContact O-CD 3.35Å; G84-N88 WeakPolarHBondContact O-CB 3.31Å; G84-N88 PolarHBondContact O-N 3.07Å; G84-N88 VanDerWaalsContact O-N 3.09Å |
| 85 | L | 90.1 | Very high | 89 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 178.1 | -178.1 | 63.1 | 0 | 0 | 0 | 112.2 | I23 F82 R83 N88 L89 | I23-L85 HydrophobicContact CG1-CD1 4.05Å; I23-L85 HydrophobicContact CG1-CD2 4.14Å; F82-L85 HydrophobicContact CD1-CD2 4.23Å; F82-L85 WeakPolarHBondContact O-CB 3.4Å; F82-L85 PolarHBondContact O-N 3.24Å; R83-L85 PolarHBondContact O-N 3.47Å; L85-N88 WeakPolarHBondContact O-CB 3.3Å; L85-N88 PolarHBondContact O-N 2.62Å; L85-N88 VanDerWaalsContact O-N 3.16Å; L85-L89 HydrophobicContact CD1-CD1 4.23Å; L85-L89 HydrophobicContact CD1-CD2 4.31Å; L85-L89 HydrophobicContact CD1-CG 4.04Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 HydrophobicContact CG-CG 4.23Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 3.36Å |
| 86 | G | 90.3 | Very high | 89.3 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 45% | 0.454 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.9 | -58.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G84 N88 L89 V90 | G84-G86 PolarHBondContact O-N 2.98Å; G86-N88 PolarHBondContact O-N 3.23Å; G86-L89 PolarHBondContact O-N 2.95Å; G86-V90 WeakPolarHBondContact O-CG2 3.3Å; G86-V90 PolarHBondContact O-N 3.5Å; G86-V90 VanDerWaalsContact O-N 3.07Å |
| 87 | P | 91.1 | Very high | 89.6 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 13% | 0.13 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.4 | -34.4 | 173.9 | -27.9 | 36.1 | 0 | 0 | 0 | 113.8 | G84 G91 I140 I143 K144 L147 A161 | G84-P87 WeakPolarHBondContact O-CD 3.35Å; P87-G91 PolarHBondContact O-N 3.31Å; P87-I140 HydrophobicContact CB-CG2 4.27Å; P87-I140 VanDerWaalsContact O-CG2 3.22Å; P87-I140 WeakPolarHBondContact O-CG2 3.4Å; P87-I143 HydrophobicContact CG-CG2 4.17Å; P87-K144 HydrophobicContact CB-CB 4.15Å; P87-L147 HydrophobicContact CG-CD1 3.83Å; P87-A161 HydrophobicContact CG-CB 4.01Å |
| 88 | N | 90.6 | Very high | 90 | Very high | 18 Ų | 18 | 56.9 Ų | 56.9 | 10% | 0.096 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 175.7 | -172.7 | 71.8 | 0 | 0 | 0 | 111.7 | G84 L85 G86 G91 V92 K144 | G84-N88 WeakPolarHBondContact O-CB 3.31Å; G84-N88 PolarHBondContact O-N 3.07Å; G84-N88 VanDerWaalsContact O-N 3.09Å; L85-N88 WeakPolarHBondContact O-CB 3.3Å; L85-N88 PolarHBondContact O-N 2.62Å; L85-N88 VanDerWaalsContact O-N 3.16Å; G86-N88 PolarHBondContact O-N 3.23Å; N88-G91 PolarHBondContact O-N 2.92Å; N88-V92 WeakPolarHBondContact O-CG2 3.31Å; N88-V92 PolarHBondContact O-N 3.2Å; N88-K144 HydrophobicContact CB-CD 3.91Å; N88-K144 HydrophobicContact CB-CG 4.49Å; N88-K144 WeakPolarHBondContact OD1-CE 3.46Å; N88-K144 PolarHBondContact OD1-NZ 3.21Å |
| 89 | L | 90 | Very high | 90.2 | Very high | 69 Ų | 69 | 56.3 Ų | 56.3 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 179.9 | -67.1 | 177.6 | 0 | 0 | 0 | 112 | T19 L85 G86 G91 | T19-L89 HydrophobicContact CG2-CD2 3.79Å; L85-L89 HydrophobicContact CD1-CD1 4.23Å; L85-L89 HydrophobicContact CD1-CD2 4.31Å; L85-L89 HydrophobicContact CD1-CG 4.04Å; L85-L89 HydrophobicContact CG-CD1 4Å; L85-L89 HydrophobicContact CG-CG 4.23Å; L85-L89 WeakPolarHBondContact O-CG 3.48Å; L85-L89 PolarHBondContact O-N 3.36Å; G86-L89 PolarHBondContact O-N 2.95Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 3.07Å |
| 90 | V | 90.8 | Very high | 90.4 | Very high | 101 Ų | 101 | 53 Ų | 53 | 61% | 0.612 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.7 | -33.6 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | G86 P94 | G86-V90 WeakPolarHBondContact O-CG2 3.3Å; G86-V90 PolarHBondContact O-N 3.5Å; G86-V90 VanDerWaalsContact O-N 3.07Å; V90-P94 WeakPolarHBondContact O-CD 3.19Å; V90-P94 VanDerWaalsContact O-CG 3.29Å; V90-P94 WeakPolarHBondContact O-CG 3.32Å |
| 91 | G | 88.5 | Confident | 90.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81 | -28.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P87 N88 L89 S95 | P87-G91 PolarHBondContact O-N 3.31Å; N88-G91 PolarHBondContact O-N 2.92Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 3.07Å; G91-S95 WeakPolarHBondContact O-CB 3.47Å; G91-S95 PolarHBondContact O-N 3.07Å |
| 92 | V | 88.3 | Confident | 91 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 38% | 0.382 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -49.9 | -172.2 | 165.5 | 0 | 0 | 0 | 0 | 112.2 | N88 S95 R96 W141 | N88-V92 WeakPolarHBondContact O-CG2 3.31Å; N88-V92 PolarHBondContact O-N 3.2Å; V92-S95 PolarHBondContact O-N 3.28Å; V92-R96 WeakPolarHBondContact O-CG 3.29Å; V92-R96 PolarHBondContact O-N 3.37Å; V92-W141 HydrophobicContact CG2-CH2 4.21Å |
| 93 | A | 87.6 | Confident | 91.1 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 58% | 0.579 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.4 | -50.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S95 R96 A97 | A93-S95 VanDerWaalsContact C-N 3.32Å; A93-S95 PolarHBondContact O-N 2.9Å; A93-R96 PolarHBondContact O-N 3.27Å; A93-A97 PolarHBondContact O-N 3.16Å |
| 94 | P | 91.8 | Very high | 91.3 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | 173.9 | -25.1 | 34.7 | 0 | 0 | 0 | 113.1 | V90 R96 A97 I98 | V90-P94 WeakPolarHBondContact O-CD 3.19Å; V90-P94 VanDerWaalsContact O-CG 3.29Å; V90-P94 WeakPolarHBondContact O-CG 3.32Å; P94-R96 VanDerWaalsContact C-N 3.31Å; P94-R96 PolarHBondContact O-N 3.45Å; P94-A97 PolarHBondContact O-N 3.2Å; P94-I98 WeakPolarHBondContact O-CB 3.36Å; P94-I98 WeakPolarHBondContact O-CD1 3.2Å; P94-I98 VanDerWaalsContact O-CG1 3.23Å; P94-I98 WeakPolarHBondContact O-CG1 3.22Å; P94-I98 PolarHBondContact O-N 3.47Å |
| 95 | S | 90.6 | Very high | 91.6 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 16% | 0.161 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | G91 V92 A93 Y99 | G91-S95 WeakPolarHBondContact O-CB 3.47Å; G91-S95 PolarHBondContact O-N 3.07Å; V92-S95 PolarHBondContact O-N 3.28Å; A93-S95 VanDerWaalsContact C-N 3.32Å; A93-S95 PolarHBondContact O-N 2.9Å; S95-Y99 WeakPolarHBondContact O-CB 3.01Å; S95-Y99 PolarHBondContact O-N 3.27Å; S95-Y99 VanDerWaalsContact O-N 3.11Å |
| 96 | R | 89.7 | Confident | 91.8 | Very high | 158 Ų | 158 | 57.8 Ų | 57.8 | 60% | 0.596 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.3 | -42.1 | 176.9 | -69.5 | -66.6 | -175 | 121.6 | 1.1 | 111.7 | V92 A93 P94 I98 Y99 F100 | V92-R96 WeakPolarHBondContact O-CG 3.29Å; V92-R96 PolarHBondContact O-N 3.37Å; A93-R96 PolarHBondContact O-N 3.27Å; P94-R96 VanDerWaalsContact C-N 3.31Å; P94-R96 PolarHBondContact O-N 3.45Å; R96-I98 PolarHBondContact O-N 3.11Å; R96-Y99 PolarHBondContact O-N 2.9Å; R96-F100 HydrophobicContact CB-CD2 4.42Å; R96-F100 HydrophobicContact CB-CE2 4.41Å; R96-F100 WeakPolarHBondContact O-CD2 3.35Å; R96-F100 PolarHBondContact O-N 3.45Å |
| 97 | A | 91.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 58 Ų | 58 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A93 P94 Y99 F100 G101 | A93-A97 PolarHBondContact O-N 3.16Å; P94-A97 PolarHBondContact O-N 3.2Å; A97-Y99 VanDerWaalsContact C-N 3.34Å; A97-Y99 PolarHBondContact O-N 3.5Å; A97-F100 PolarHBondContact O-N 2.91Å; A97-G101 PolarHBondContact O-N 3.4Å |
| 98 | I | 95.3 | Very high | 92 | Very high | 58 Ų | 58 | 64 Ų | 64 | 30% | 0.297 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 177 | -65.4 | 163 | 0 | 0 | 0 | 110.6 | P94 R96 A102 T132 A133 A136 T137 | P94-I98 WeakPolarHBondContact O-CB 3.36Å; P94-I98 WeakPolarHBondContact O-CD1 3.2Å; P94-I98 VanDerWaalsContact O-CG1 3.23Å; P94-I98 WeakPolarHBondContact O-CG1 3.22Å; P94-I98 PolarHBondContact O-N 3.47Å; R96-I98 PolarHBondContact O-N 3.11Å; I98-A102 WeakPolarHBondContact O-CB 3.32Å; I98-A102 PolarHBondContact O-N 3.09Å; I98-T132 HydrophobicContact CG2-CG2 4.03Å; I98-A133 HydrophobicContact CG2-CB 4.19Å; I98-A136 HydrophobicContact CD1-CB 3.85Å; I98-A136 HydrophobicContact CG2-CB 4.35Å; I98-T137 HydrophobicContact CD1-CG2 3.91Å |
| 99 | Y | 94.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 29% | 0.286 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -53.3 | 177.4 | -179.1 | -90.4 | 0 | 0 | 0 | 111.7 | S95 R96 A97 G101 A102 Y103 A129 A133 | S95-Y99 WeakPolarHBondContact O-CB 3.01Å; S95-Y99 PolarHBondContact O-N 3.27Å; S95-Y99 VanDerWaalsContact O-N 3.11Å; R96-Y99 PolarHBondContact O-N 2.9Å; A97-Y99 VanDerWaalsContact C-N 3.34Å; A97-Y99 PolarHBondContact O-N 3.5Å; Y99-G101 PolarHBondContact O-N 3.38Å; Y99-A102 PolarHBondContact O-N 3.33Å; Y99-Y103 WeakPolarHBondContact O-CB 3.23Å; Y99-Y103 PolarHBondContact O-N 2.92Å; Y99-A129 HydrophobicContact CD2-CB 3.7Å; Y99-A129 HydrophobicContact CE2-CB 3.65Å; Y99-A129 HydrophobicContact CG-CB 4.21Å; Y99-A129 WeakPolarHBondContact O-CB 3.45Å; Y99-A133 HydrophobicContact CD2-CB 4.38Å |
| 100 | F | 92.8 | Very high | 92.2 | Very high | 125 Ų | 125 | 68.5 Ų | 68.5 | 55% | 0.548 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.2 | -38 | -178.2 | -75 | -62.8 | 0 | 0 | 0 | 112.7 | R96 A97 Y103 S104 | R96-F100 HydrophobicContact CB-CD2 4.42Å; R96-F100 HydrophobicContact CB-CE2 4.41Å; R96-F100 WeakPolarHBondContact O-CD2 3.35Å; R96-F100 PolarHBondContact O-N 3.45Å; A97-F100 PolarHBondContact O-N 2.91Å; F100-Y103 PolarHBondContact O-N 3.29Å; F100-S104 WeakPolarHBondContact O-CB 3.19Å; F100-S104 PolarHBondContact O-N 3.16Å |
| 101 | G | 94.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -52.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A97 Y99 Y103 S104 T105 | A97-G101 PolarHBondContact O-N 3.4Å; Y99-G101 PolarHBondContact O-N 3.38Å; G101-Y103 VanDerWaalsContact C-N 3.29Å; G101-Y103 PolarHBondContact O-N 3.02Å; G101-S104 PolarHBondContact O-N 3.37Å; G101-T105 PolarHBondContact O-N 3.18Å; G101-T105 PolarHBondContact O-OG1 3.16Å |
| 102 | A | 95.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 69 Ų | 69 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I98 Y99 A106 A129 T132 | I98-A102 WeakPolarHBondContact O-CB 3.32Å; I98-A102 PolarHBondContact O-N 3.09Å; Y99-A102 PolarHBondContact O-N 3.33Å; A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.25Å; A102-A129 HydrophobicContact CB-CB 4.13Å; A102-T132 HydrophobicContact CB-CG2 4.06Å |
| 103 | Y | 93.9 | Very high | 92.1 | Very high | 56 Ų | 56 | 71.7 Ų | 71.7 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 175.4 | -179.8 | -92.1 | 0 | 0 | 0 | 111.6 | Y99 F100 G101 T105 A106 K107 H122 A126 A129 | Y99-Y103 WeakPolarHBondContact O-CB 3.23Å; Y99-Y103 PolarHBondContact O-N 2.92Å; F100-Y103 PolarHBondContact O-N 3.29Å; G101-Y103 VanDerWaalsContact C-N 3.29Å; G101-Y103 PolarHBondContact O-N 3.02Å; Y103-T105 PolarHBondContact O-N 3.49Å; Y103-A106 PolarHBondContact O-N 3.41Å; Y103-K107 HydrophobicContact CE1-CD 4.12Å; Y103-K107 VanDerWaalsContact O-CB 3.24Å; Y103-K107 WeakPolarHBondContact O-CB 3.18Å; Y103-K107 PolarHBondContact O-N 3.41Å; Y103-H122 PolarHBondContact OH-ND1 3.14Å; Y103-A126 HydrophobicContact CD2-CB 4.36Å; Y103-A126 HydrophobicContact CE2-CB 4.13Å; Y103-A129 HydrophobicContact CD2-CB 4.45Å |
| 104 | S | 93.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 71.1 Ų | 71.1 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 179.8 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | F100 G101 K107 E108 | F100-S104 WeakPolarHBondContact O-CB 3.19Å; F100-S104 PolarHBondContact O-N 3.16Å; G101-S104 PolarHBondContact O-N 3.37Å; S104-K107 PolarHBondContact O-N 3.21Å; S104-E108 WeakPolarHBondContact O-CB 3.22Å; S104-E108 PolarHBondContact O-N 2.65Å |
| 105 | T | 94.5 | Very high | 91.7 | Very high | 72 Ų | 72 | 75.8 Ų | 75.8 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 178.8 | -56.2 | 0 | 0 | 0 | 0 | 112.5 | G101 Y103 K109 | G101-T105 PolarHBondContact O-N 3.18Å; G101-T105 PolarHBondContact O-OG1 3.16Å; Y103-T105 PolarHBondContact O-N 3.49Å; T105-K109 WeakPolarHBondContact O-CG 3.41Å; T105-K109 PolarHBondContact O-N 3.02Å |
| 106 | A | 93.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 78.8 Ų | 78.8 | 6% | 0.058 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | A102 Y103 K109 L110 M128 | A102-A106 WeakPolarHBondContact O-CB 3.46Å; A102-A106 PolarHBondContact O-N 3.25Å; Y103-A106 PolarHBondContact O-N 3.41Å; A106-K109 PolarHBondContact O-N 3.41Å; A106-L110 WeakPolarHBondContact O-CB 3.22Å; A106-L110 VanDerWaalsContact O-CG 3.27Å; A106-L110 WeakPolarHBondContact O-CG 3.35Å; A106-L110 PolarHBondContact O-N 3.26Å; A106-M128 HydrophobicContact CB-CB 4.13Å; A106-M128 HydrophobicContact CB-CE 4.36Å; A106-M128 HydrophobicContact CB-SD 3.99Å |
| 107 | K | 92.8 | Very high | 91.1 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 22% | 0.217 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.3 | -47 | 178.8 | -173.5 | -177.7 | -179.5 | -164.2 | 0 | 111.7 | Y103 S104 K109 L110 N111 D117 V121 S125 | Y103-K107 HydrophobicContact CE1-CD 4.12Å; Y103-K107 VanDerWaalsContact O-CB 3.24Å; Y103-K107 WeakPolarHBondContact O-CB 3.18Å; Y103-K107 PolarHBondContact O-N 3.41Å; S104-K107 PolarHBondContact O-N 3.21Å; K107-K109 VanDerWaalsContact C-N 3.35Å; K107-K109 PolarHBondContact O-N 3Å; K107-L110 PolarHBondContact O-N 2.9Å; K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 3.1Å; K107-D117 WeakPolarHBondContact CE-OD1 3.39Å; K107-D117 IonicContact NZ-OD1 3.56Å; K107-D117 PolarHBondContact NZ-OD1 3.17Å; K107-V121 HydrophobicContact CG-CG1 3.95Å; K107-S125 WeakPolarHBondContact CA-OG 3.18Å; K107-S125 PolarHBondContact N-OG 3.35Å |
| 108 | E | 93.1 | Very high | 90.9 | Very high | 144 Ų | 144 | 73.7 Ų | 73.7 | 67% | 0.673 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.1 | -45.4 | 178.9 | -173.8 | 179.2 | -176.2 | 0 | 0 | 111.8 | S104 | S104-E108 WeakPolarHBondContact O-CB 3.22Å; S104-E108 PolarHBondContact O-N 2.65Å |
| 109 | K | 92.9 | Very high | 90.4 | Very high | 151 Ų | 151 | 75.2 Ų | 75.2 | 66% | 0.657 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 177.7 | -70.2 | -175.2 | 178.9 | -171.1 | 0 | 112.8 | T105 A106 K107 G112 | T105-K109 WeakPolarHBondContact O-CG 3.41Å; T105-K109 PolarHBondContact O-N 3.02Å; A106-K109 PolarHBondContact O-N 3.41Å; K107-K109 VanDerWaalsContact C-N 3.35Å; K107-K109 PolarHBondContact O-N 3Å; K109-G112 PolarHBondContact O-N 2.9Å |
| 110 | L | 91.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 17% | 0.168 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -72.1 | -34.1 | -178.6 | -73.6 | 169.8 | 0 | 0 | 0 | 112.3 | A106 K107 G112 V113 L114 V121 L124 S125 M128 | A106-L110 WeakPolarHBondContact O-CB 3.22Å; A106-L110 VanDerWaalsContact O-CG 3.27Å; A106-L110 WeakPolarHBondContact O-CG 3.35Å; A106-L110 PolarHBondContact O-N 3.26Å; K107-L110 PolarHBondContact O-N 2.9Å; L110-G112 PolarHBondContact O-N 3.47Å; L110-V113 PolarHBondContact O-N 3.46Å; L110-L114 HydrophobicContact CD2-CD1 4.18Å; L110-L114 WeakPolarHBondContact O-CB 3.13Å; L110-L114 PolarHBondContact O-N 2.66Å; L110-V121 HydrophobicContact CB-CG1 3.89Å; L110-V121 HydrophobicContact CB-CG2 4.21Å; L110-L124 HydrophobicContact CD1-CB 3.61Å; L110-L124 HydrophobicContact CD2-CD1 4.43Å; L110-S125 WeakPolarHBondContact CD1-OG 3.32Å; L110-M128 HydrophobicContact CD1-SD 4.3Å |
| 111 | N | 90.2 | Very high | 89.7 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.8 | -22.4 | 171.3 | -84.5 | -11.7 | 0 | 0 | 0 | 112.8 | K107 P116 D117 V121 | K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 3.1Å; N111-P116 WeakPolarHBondContact OD1-CA 3.2Å; N111-D117 PolarHBondContact OD1-N 2.92Å; N111-V121 WeakPolarHBondContact OD1-CG1 3.35Å |
| 112 | G | 86.4 | Confident | 89.4 | Confident | 69 Ų | 69 | 72.6 Ų | 72.6 | 71% | 0.711 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K109 L110 | K109-G112 PolarHBondContact O-N 2.9Å; L110-G112 PolarHBondContact O-N 3.47Å |
| 113 | V | 88.6 | Confident | 88.9 | Confident | 121 Ų | 121 | 76.5 Ų | 76.5 | 73% | 0.733 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -35.3 | -174.4 | -179 | 0 | 0 | 0 | 0 | 112.1 | L110 | L110-V113 PolarHBondContact O-N 3.46Š|
| 114 | L | 86.9 | Confident | 88.7 | Confident | 57 Ų | 57 | 78 Ų | 78 | 30% | 0.298 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -108 | 170.8 | 179.2 | -64.1 | 172.5 | 0 | 0 | 0 | 110.3 | L110 P116 V121 L124 | L110-L114 HydrophobicContact CD2-CD1 4.18Å; L110-L114 WeakPolarHBondContact O-CB 3.13Å; L110-L114 PolarHBondContact O-N 2.66Å; L114-P116 WeakPolarHBondContact O-CD 3.25Å; L114-V121 HydrophobicContact CB-CG2 3.69Å; L114-V121 HydrophobicContact CD1-CG2 3.94Å; L114-V121 HydrophobicContact CG-CG2 4.46Å; L114-L124 HydrophobicContact CD1-CD1 3.88Å |
| 115 | E | 84.4 | Confident | 88.7 | Confident | 154 Ų | 154 | 74.6 Ų | 74.6 | 72% | 0.72 | 41% | 0.405 | S | S | * | . | trans | -56.7 | 121.7 | 172.3 | -170.4 | 173.3 | -165.5 | 0 | 0 | 110.1 | D117 S118 | E115-D117 PolarHBondContact O-N 3.37Å; E115-S118 VanDerWaalsContact O-CB 3.3Å; E115-S118 WeakPolarHBondContact O-CB 3.44Å; E115-S118 PolarHBondContact O-N 3.01Å; E115-S118 PolarHBondContact O-OG 3.28Å | ||
| 116 | P | 85.1 | Confident | 88.5 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 136.6 | -176.3 | -27.5 | 34.7 | 0 | 0 | 0 | 112.5 | N111 L114 S118 | N111-P116 WeakPolarHBondContact OD1-CA 3.2Å; L114-P116 WeakPolarHBondContact O-CD 3.25Å; P116-S118 PolarHBondContact O-N 3.11Å; P116-S118 VanDerWaalsContact O-N 3.09Å |
| 117 | D | 82.9 | Confident | 88.3 | Confident | 94 Ų | 94 | 73.1 Ų | 73.1 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 20.1 | 178.2 | -68.5 | -39.5 | 0 | 0 | 0 | 115.3 | K107 N111 E115 H122 | K107-D117 WeakPolarHBondContact CE-OD1 3.39Å; K107-D117 IonicContact NZ-OD1 3.56Å; K107-D117 PolarHBondContact NZ-OD1 3.17Å; N111-D117 PolarHBondContact OD1-N 2.92Å; E115-D117 PolarHBondContact O-N 3.37Å; D117-H122 IonicContact OD1-NE2 3.73Å |
| 118 | S | 87 | Confident | 88.3 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 16% | 0.161 | 42% | 0.415 | C | S | . | . | trans | -67.4 | 153.4 | 170.7 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | E115 P116 Q120 V121 H122 | E115-S118 VanDerWaalsContact O-CB 3.3Å; E115-S118 WeakPolarHBondContact O-CB 3.44Å; E115-S118 PolarHBondContact O-N 3.01Å; E115-S118 PolarHBondContact O-OG 3.28Å; P116-S118 PolarHBondContact O-N 3.11Å; P116-S118 VanDerWaalsContact O-N 3.09Å; S118-Q120 PolarHBondContact O-N 3.09Å; S118-Q120 VanDerWaalsContact O-N 3.11Å; S118-V121 PolarHBondContact O-N 2.81Å; S118-V121 WeakPolarHBondContact OG-CG2 3.28Å; S118-V121 PolarHBondContact OG-N 3.31Å; S118-H122 PolarHBondContact O-CD2 2.95Å; S118-H122 PolarHBondContact O-N 2.94Å | ||
| 119 | T | 83.3 | Confident | 88.4 | Confident | 90 Ų | 90 | 68.8 Ų | 68.8 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.5 | -34.2 | 174.5 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | H122 M123 | T119-H122 PolarHBondContact O-N 2.89Å; T119-M123 HydrophobicContact CG2-CE 4.12Å; T119-M123 HydrophobicContact CG2-CG 4.39Å; T119-M123 HydrophobicContact CG2-SD 4.33Å; T119-M123 WeakPolarHBondContact O-CB 3.5Å; T119-M123 VanDerWaalsContact O-CG 3.29Å; T119-M123 WeakPolarHBondContact O-CG 3.4Å; T119-M123 PolarHBondContact O-N 3.25Å |
| 120 | Q | 83.9 | Confident | 88.4 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 177.6 | -61.8 | -175.7 | 20.2 | 0 | 0 | 111.9 | S118 H122 M123 L124 | S118-Q120 PolarHBondContact O-N 3.09Å; S118-Q120 VanDerWaalsContact O-N 3.11Å; Q120-H122 VanDerWaalsContact C-N 3.33Å; Q120-H122 PolarHBondContact O-N 3.41Å; Q120-M123 PolarHBondContact O-N 2.92Å; Q120-L124 WeakPolarHBondContact O-CB 3.34Å; Q120-L124 WeakPolarHBondContact O-CG 3.45Å; Q120-L124 PolarHBondContact O-N 3.31Å |
| 121 | V | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | K107 L110 N111 L114 S118 M123 L124 S125 | K107-V121 HydrophobicContact CG-CG1 3.95Å; L110-V121 HydrophobicContact CB-CG1 3.89Å; L110-V121 HydrophobicContact CB-CG2 4.21Å; N111-V121 WeakPolarHBondContact OD1-CG1 3.35Å; L114-V121 HydrophobicContact CB-CG2 3.69Å; L114-V121 HydrophobicContact CD1-CG2 3.94Å; L114-V121 HydrophobicContact CG-CG2 4.46Å; S118-V121 PolarHBondContact O-N 2.81Å; S118-V121 WeakPolarHBondContact OG-CG2 3.28Å; S118-V121 PolarHBondContact OG-N 3.31Å; V121-M123 PolarHBondContact O-N 3.18Å; V121-L124 PolarHBondContact O-N 3.36Å; V121-S125 WeakPolarHBondContact O-CB 3.4Å; V121-S125 PolarHBondContact O-N 3.4Å; V121-S125 PolarHBondContact O-OG 3.02Å |
| 122 | H | 87.9 | Confident | 88.8 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 30% | 0.296 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 179.2 | -73.9 | -69 | 0 | 0 | 0 | 112.6 | Y103 D117 S118 T119 Q120 A126 | Y103-H122 PolarHBondContact OH-ND1 3.14Å; D117-H122 IonicContact OD1-NE2 3.73Å; S118-H122 PolarHBondContact O-CD2 2.95Å; S118-H122 PolarHBondContact O-N 2.94Å; T119-H122 PolarHBondContact O-N 2.89Å; Q120-H122 VanDerWaalsContact C-N 3.33Å; Q120-H122 PolarHBondContact O-N 3.41Å; H122-A126 WeakPolarHBondContact O-CB 3.21Å; H122-A126 PolarHBondContact O-N 2.93Å |
| 123 | M | 85.5 | Confident | 89.2 | Confident | 105 Ų | 105 | 63.5 Ų | 63.5 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 178.1 | -72.9 | -170.6 | -59.2 | 0 | 0 | 112.4 | T119 Q120 V121 A126 G127 | T119-M123 HydrophobicContact CG2-CE 4.12Å; T119-M123 HydrophobicContact CG2-CG 4.39Å; T119-M123 HydrophobicContact CG2-SD 4.33Å; T119-M123 WeakPolarHBondContact O-CB 3.5Å; T119-M123 VanDerWaalsContact O-CG 3.29Å; T119-M123 WeakPolarHBondContact O-CG 3.4Å; T119-M123 PolarHBondContact O-N 3.25Å; Q120-M123 PolarHBondContact O-N 2.92Å; V121-M123 PolarHBondContact O-N 3.18Å; M123-A126 PolarHBondContact O-N 3.09Å; M123-G127 PolarHBondContact O-N 3.04Å |
| 124 | L | 89.8 | Confident | 89.4 | Confident | 88 Ų | 88 | 59.5 Ų | 59.5 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 179.1 | -71.7 | 174.3 | 0 | 0 | 0 | 111.4 | L110 L114 Q120 V121 A126 G127 M128 | L110-L124 HydrophobicContact CD1-CB 3.61Å; L110-L124 HydrophobicContact CD2-CD1 4.43Å; L114-L124 HydrophobicContact CD1-CD1 3.88Å; Q120-L124 WeakPolarHBondContact O-CB 3.34Å; Q120-L124 WeakPolarHBondContact O-CG 3.45Å; Q120-L124 PolarHBondContact O-N 3.31Å; V121-L124 PolarHBondContact O-N 3.36Å; L124-A126 PolarHBondContact O-N 2.89Å; L124-G127 PolarHBondContact O-N 3.41Å; L124-M128 WeakPolarHBondContact O-CG 3.46Å; L124-M128 PolarHBondContact O-N 3.22Å |
| 125 | S | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 176 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | K107 L110 V121 G127 M128 A129 | K107-S125 WeakPolarHBondContact CA-OG 3.18Å; K107-S125 PolarHBondContact N-OG 3.35Å; L110-S125 WeakPolarHBondContact CD1-OG 3.32Å; V121-S125 WeakPolarHBondContact O-CB 3.4Å; V121-S125 PolarHBondContact O-N 3.4Å; V121-S125 PolarHBondContact O-OG 3.02Å; S125-G127 VanDerWaalsContact C-N 3.34Å; S125-M128 PolarHBondContact O-N 2.92Å; S125-A129 WeakPolarHBondContact O-CB 3.41Å; S125-A129 PolarHBondContact O-N 3.3Å |
| 126 | A | 90.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y103 H122 M123 L124 G130 | Y103-A126 HydrophobicContact CD2-CB 4.36Å; Y103-A126 HydrophobicContact CE2-CB 4.13Å; H122-A126 WeakPolarHBondContact O-CB 3.21Å; H122-A126 PolarHBondContact O-N 2.93Å; M123-A126 PolarHBondContact O-N 3.09Å; L124-A126 PolarHBondContact O-N 2.89Å; A126-G130 PolarHBondContact O-N 3.35Å |
| 127 | G | 91.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -55.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M123 L124 S125 A129 G130 F131 | M123-G127 PolarHBondContact O-N 3.04Å; L124-G127 PolarHBondContact O-N 3.41Å; S125-G127 VanDerWaalsContact C-N 3.34Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.42Å; G127-G130 WeakPolarHBondContact O-CA 3.14Å; G127-G130 PolarHBondContact O-N 3.44Å; G127-G130 VanDerWaalsContact O-N 3.09Å; G127-F131 WeakPolarHBondContact O-CD2 3.42Å; G127-F131 PolarHBondContact O-N 2.78Å |
| 128 | M | 92.9 | Very high | 91.4 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 51% | 0.507 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.6 | -46.9 | 178.4 | -69.3 | 178.2 | 72.6 | 0 | 0 | 111.6 | A106 L110 L124 S125 G130 F131 T132 | A106-M128 HydrophobicContact CB-CB 4.13Å; A106-M128 HydrophobicContact CB-CE 4.36Å; A106-M128 HydrophobicContact CB-SD 3.99Å; L110-M128 HydrophobicContact CD1-SD 4.3Å; L124-M128 WeakPolarHBondContact O-CG 3.46Å; L124-M128 PolarHBondContact O-N 3.22Å; S125-M128 PolarHBondContact O-N 2.92Å; M128-G130 VanDerWaalsContact C-N 3.32Å; M128-G130 PolarHBondContact O-N 3.42Å; M128-F131 PolarHBondContact O-N 2.9Å; M128-T132 PolarHBondContact O-N 3.02Å; M128-T132 PolarHBondContact O-OG1 3.02Å; M128-T132 VanDerWaalsContact O-OG1 3.1Å |
| 129 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y99 A102 Y103 S125 G127 T132 A133 | Y99-A129 HydrophobicContact CD2-CB 3.7Å; Y99-A129 HydrophobicContact CE2-CB 3.65Å; Y99-A129 HydrophobicContact CG-CB 4.21Å; Y99-A129 WeakPolarHBondContact O-CB 3.45Å; A102-A129 HydrophobicContact CB-CB 4.13Å; Y103-A129 HydrophobicContact CD2-CB 4.45Å; S125-A129 WeakPolarHBondContact O-CB 3.41Å; S125-A129 PolarHBondContact O-N 3.3Å; G127-A129 VanDerWaalsContact C-N 3.33Å; G127-A129 PolarHBondContact O-N 3.42Å; A129-T132 PolarHBondContact O-N 3.33Å; A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 3.32Å |
| 130 | G | 92.4 | Very high | 92.4 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A126 G127 M128 A133 I134 | A126-G130 PolarHBondContact O-N 3.35Å; G127-G130 WeakPolarHBondContact O-CA 3.14Å; G127-G130 PolarHBondContact O-N 3.44Å; G127-G130 VanDerWaalsContact O-N 3.09Å; M128-G130 VanDerWaalsContact C-N 3.32Å; M128-G130 PolarHBondContact O-N 3.42Å; G130-A133 PolarHBondContact O-N 3.26Å; G130-I134 WeakPolarHBondContact O-CB 3.3Å; G130-I134 WeakPolarHBondContact O-CD1 3.27Å; G130-I134 WeakPolarHBondContact O-CG1 3.49Å; G130-I134 PolarHBondContact O-N 3.33Å |
| 131 | F | 94.4 | Very high | 92.9 | Very high | 96 Ų | 96 | 41.7 Ų | 41.7 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.7 | -48 | 176.6 | -83.1 | -76.5 | 0 | 0 | 0 | 112.1 | G127 M128 T135 Y185 I188 | G127-F131 WeakPolarHBondContact O-CD2 3.42Å; G127-F131 PolarHBondContact O-N 2.78Å; M128-F131 PolarHBondContact O-N 2.9Å; F131-T135 WeakPolarHBondContact O-CB 3.29Å; F131-T135 PolarHBondContact O-N 3.08Å; F131-T135 PolarHBondContact O-OG1 2.73Å; F131-Y185 AromaticContact CD1-CD1 3.37Å; F131-Y185 HydrophobicContact CD1-CD1 3.37Å; F131-Y185 HydrophobicContact CD1-CD2 4.33Å; F131-Y185 AromaticContact CD1-CE1 3.39Å; F131-Y185 HydrophobicContact CD1-CE1 3.39Å; F131-Y185 HydrophobicContact CD1-CE2 4.32Å; F131-Y185 AromaticContact CD1-CG 3.88Å; F131-Y185 HydrophobicContact CD1-CG 3.88Å; F131-Y185 AromaticContact CD1-CZ 3.87Å; F131-Y185 AromaticContact CE1-CD1 3.47Å; F131-Y185 HydrophobicContact CE1-CD1 3.47Å; F131-Y185 VanDerWaalsContact CE1-CD1 3.47Å; F131-Y185 AromaticContact CE1-CD2 3.97Å; F131-Y185 HydrophobicContact CE1-CD2 3.97Å; F131-Y185 AromaticContact CE1-CE1 3.94Å; F131-Y185 HydrophobicContact CE1-CE1 3.94Å; F131-Y185 HydrophobicContact CE1-CE2 4.35Å; F131-Y185 AromaticContact CE1-CG 3.5Å; F131-Y185 HydrophobicContact CE1-CG 3.5Å; F131-Y185 VanDerWaalsContact CE1-CG 3.5Å; F131-Y185 HydrophobicContact CG-CD1 4.4Å; F131-Y185 HydrophobicContact CG-CE1 4.36Å; F131-I188 HydrophobicContact CD1-CD1 4.27Å; F131-I188 HydrophobicContact CD2-CD1 3.87Å; F131-I188 HydrophobicContact CE1-CD1 4.13Å; F131-I188 HydrophobicContact CE2-CD1 3.7Å; F131-I188 HydrophobicContact CG-CD1 4.13Å; F131-I188 HydrophobicContact CZ-CD1 3.83Å |
| 132 | T | 95.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 179 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | I98 A102 M128 A129 T135 A136 | I98-T132 HydrophobicContact CG2-CG2 4.03Å; A102-T132 HydrophobicContact CB-CG2 4.06Å; M128-T132 PolarHBondContact O-N 3.02Å; M128-T132 PolarHBondContact O-OG1 3.02Å; M128-T132 VanDerWaalsContact O-OG1 3.1Å; A129-T132 PolarHBondContact O-N 3.33Å; T132-T135 PolarHBondContact O-N 3.14Å; T132-A136 WeakPolarHBondContact O-CB 3.46Å; T132-A136 PolarHBondContact O-N 3.23Å |
| 133 | A | 94.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | I98 Y99 A129 G130 T137 | I98-A133 HydrophobicContact CG2-CB 4.19Å; Y99-A133 HydrophobicContact CD2-CB 4.38Å; A129-A133 VanDerWaalsContact O-CB 3.25Å; A129-A133 WeakPolarHBondContact O-CB 3.4Å; A129-A133 PolarHBondContact O-N 3.32Å; G130-A133 PolarHBondContact O-N 3.26Å; A133-T137 WeakPolarHBondContact O-CB 3.31Å; A133-T137 WeakPolarHBondContact O-CG2 3.3Å; A133-T137 PolarHBondContact O-N 2.64Å; A133-T137 PolarHBondContact O-OG1 3.44Å |
| 134 | I | 94.1 | Very high | 93.9 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 19% | 0.19 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 175.3 | -70.9 | 165.5 | 0 | 0 | 0 | 110.2 | G130 A136 T137 N138 M181 Y185 I188 | G130-I134 WeakPolarHBondContact O-CB 3.3Å; G130-I134 WeakPolarHBondContact O-CD1 3.27Å; G130-I134 WeakPolarHBondContact O-CG1 3.49Å; G130-I134 PolarHBondContact O-N 3.33Å; I134-A136 PolarHBondContact O-N 3.29Å; I134-T137 PolarHBondContact O-N 2.87Å; I134-N138 WeakPolarHBondContact O-CB 3.27Å; I134-N138 PolarHBondContact O-N 3.34Å; I134-M181 HydrophobicContact CG2-CG 4.46Å; I134-Y185 HydrophobicContact CB-CD1 4.3Å; I134-Y185 HydrophobicContact CB-CE1 3.92Å; I134-Y185 HydrophobicContact CD1-CD1 4.07Å; I134-Y185 HydrophobicContact CG2-CD1 3.84Å; I134-Y185 HydrophobicContact CG2-CE1 3.51Å; I134-I188 HydrophobicContact CD1-CD1 4.04Å; I134-I188 HydrophobicContact CD1-CG1 4.02Å |
| 135 | T | 95.6 | Very high | 94.1 | Very high | 52 Ų | 52 | 31.4 Ų | 31.4 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.6 | -50.4 | -178.9 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | F131 T132 Y178 M181 Y185 | F131-T135 WeakPolarHBondContact O-CB 3.29Å; F131-T135 PolarHBondContact O-N 3.08Å; F131-T135 PolarHBondContact O-OG1 2.73Å; T132-T135 PolarHBondContact O-N 3.14Å; T135-Y178 HydrophobicContact CG2-CE1 4.28Å; T135-M181 HydrophobicContact CG2-CE 4.35Å; T135-Y185 PolarHBondContact OG1-OH 3.33Å |
| 136 | A | 95.8 | Very high | 94.1 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 44% | 0.438 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.9 | -34.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I98 T132 I134 | I98-A136 HydrophobicContact CD1-CB 3.85Å; I98-A136 HydrophobicContact CG2-CB 4.35Å; T132-A136 WeakPolarHBondContact O-CB 3.46Å; T132-A136 PolarHBondContact O-N 3.23Å; I134-A136 PolarHBondContact O-N 3.29Å |
| 137 | T | 95.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -100.1 | -4.3 | -174 | 64.7 | 0 | 0 | 0 | 0 | 114.6 | I98 A133 I134 P139 I140 W141 | I98-T137 HydrophobicContact CD1-CG2 3.91Å; A133-T137 WeakPolarHBondContact O-CB 3.31Å; A133-T137 WeakPolarHBondContact O-CG2 3.3Å; A133-T137 PolarHBondContact O-N 2.64Å; A133-T137 PolarHBondContact O-OG1 3.44Å; I134-T137 PolarHBondContact O-N 2.87Å; T137-P139 VanDerWaalsContact C-N 3.29Å; T137-I140 PolarHBondContact O-N 2.68Å; T137-W141 PolarHBondContact O-N 3.14Å; T137-W141 PolarHBondContact OG1-NE1 3.38Å |
| 138 | N | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.6 | -38 | 179.6 | -162.5 | 72.1 | 0 | 0 | 0 | 114.2 | I134 I140 W141 L142 F177 Y178 R179 M181 R256 | I134-N138 WeakPolarHBondContact O-CB 3.27Å; I134-N138 PolarHBondContact O-N 3.34Å; N138-I140 VanDerWaalsContact C-N 3.29Å; N138-I140 PolarHBondContact O-N 3.19Å; N138-W141 PolarHBondContact O-N 2.76Å; N138-L142 WeakPolarHBondContact O-CB 3.24Å; N138-L142 PolarHBondContact O-N 3.47Å; N138-F177 PolarHBondContact ND2-O 3.02Å; N138-Y178 VanDerWaalsContact ND2-CA 3.33Å; N138-Y178 WeakPolarHBondContact ND2-CA 3.47Å; N138-R179 PolarHBondContact ND2-O 3.29Å; N138-M181 HydrophobicContact CB-CE 3.48Å; N138-M181 VanDerWaalsContact CB-CE 3.48Å; N138-R256 PolarHBondContact OD1-NH2 3.05Å |
| 139 | P | 95.6 | Very high | 94 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 22% | 0.221 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.6 | -43.2 | 175.6 | -25.9 | 34.4 | 0 | 0 | 0 | 112.8 | T137 L142 I143 F177 | T137-P139 VanDerWaalsContact C-N 3.29Å; P139-L142 PolarHBondContact O-N 3.42Å; P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 2.9Å; P139-I143 VanDerWaalsContact O-N 3.15Å; P139-F177 HydrophobicContact CB-CB 4.08Å; P139-F177 HydrophobicContact CB-CD1 3.88Å; P139-F177 HydrophobicContact CB-CG 4.3Å; P139-F177 HydrophobicContact CG-CB 4.06Å |
| 140 | I | 94.8 | Very high | 93.6 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 25% | 0.251 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.4 | -45.2 | -179.3 | -56.2 | 173.4 | 0 | 0 | 0 | 110.2 | P87 T137 N138 L142 I143 K144 | P87-I140 HydrophobicContact CB-CG2 4.27Å; P87-I140 VanDerWaalsContact O-CG2 3.22Å; P87-I140 WeakPolarHBondContact O-CG2 3.4Å; T137-I140 PolarHBondContact O-N 2.68Å; N138-I140 VanDerWaalsContact C-N 3.29Å; N138-I140 PolarHBondContact O-N 3.19Å; I140-L142 VanDerWaalsContact C-N 3.34Å; I140-L142 PolarHBondContact O-N 2.88Å; I140-I143 PolarHBondContact O-N 3.09Å; I140-K144 PolarHBondContact O-N 3.22Å |
| 141 | W | 94.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 29 Ų | 29 | 22% | 0.216 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.2 | -34.3 | 179.4 | -62.1 | 117.3 | 0 | 0 | 0 | 112.8 | V92 T137 N138 K144 T145 | V92-W141 HydrophobicContact CG2-CH2 4.21Å; T137-W141 PolarHBondContact O-N 3.14Å; T137-W141 PolarHBondContact OG1-NE1 3.38Å; N138-W141 PolarHBondContact O-N 2.76Å; W141-K144 HydrophobicContact CE3-CD 3.81Å; W141-K144 HydrophobicContact CZ3-CD 3.84Å; W141-T145 WeakPolarHBondContact O-CB 2.93Å; W141-T145 PolarHBondContact O-N 3.42Å; W141-T145 PolarHBondContact O-OG1 2.95Å; W141-T145 VanDerWaalsContact O-OG1 3.04Å |
| 142 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -50 | 172.8 | 178.9 | 74.8 | 0 | 0 | 0 | 110.7 | N138 P139 I140 K144 T145 R146 V168 G176 F177 R179 R256 | N138-L142 WeakPolarHBondContact O-CB 3.24Å; N138-L142 PolarHBondContact O-N 3.47Å; P139-L142 PolarHBondContact O-N 3.42Å; I140-L142 VanDerWaalsContact C-N 3.34Å; I140-L142 PolarHBondContact O-N 2.88Å; L142-K144 PolarHBondContact O-N 2.83Å; L142-T145 PolarHBondContact O-N 3.01Å; L142-R146 HydrophobicContact CD1-CG 4.47Å; L142-R146 PolarHBondContact O-N 2.89Å; L142-V168 HydrophobicContact CD2-CG1 4.12Å; L142-V168 HydrophobicContact CD2-CG2 4.39Å; L142-G176 WeakPolarHBondContact CD2-O 3.49Å; L142-F177 VanDerWaalsContact CD2-CA 3.49Å; L142-F177 HydrophobicContact CD2-CD1 4.33Å; L142-R179 HydrophobicContact CD1-CB 4.28Å; L142-R256 HydrophobicContact CD1-CB 3.73Å; L142-R256 HydrophobicContact CD1-CG 3.59Å |
| 143 | I | 95.1 | Very high | 91 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | -179.8 | -60.7 | -55.4 | 0 | 0 | 0 | 110.8 | P87 P139 I140 T145 R146 L147 A161 C164 M165 V168 F177 | P87-I143 HydrophobicContact CG-CG2 4.17Å; P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 2.9Å; P139-I143 VanDerWaalsContact O-N 3.15Å; I140-I143 PolarHBondContact O-N 3.09Å; I143-T145 PolarHBondContact O-N 2.93Å; I143-R146 PolarHBondContact O-N 3.44Å; I143-L147 HydrophobicContact CG2-CD1 4Å; I143-L147 HydrophobicContact CG2-CG 4.28Å; I143-L147 WeakPolarHBondContact O-CB 3.33Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.44Å; I143-L147 PolarHBondContact O-N 2.85Å; I143-A161 HydrophobicContact CG2-CB 4.12Å; I143-C164 HydrophobicContact CD1-CB 4.3Å; I143-C164 HydrophobicContact CG2-CB 4.31Å; I143-M165 HydrophobicContact CD1-CB 4.18Å; I143-V168 HydrophobicContact CD1-CG2 3.96Å; I143-F177 HydrophobicContact CD1-CE1 4.13Å; I143-F177 HydrophobicContact CG1-CE1 4.5Å |
| 144 | K | 94.1 | Very high | 89.6 | Confident | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -52 | -54.9 | 171.6 | 178.5 | -171.7 | 173 | -175.9 | 0 | 110.7 | E29 P87 N88 I140 W141 L142 L147 Q148 | E29-K144 IonicContact OE2-NZ 3.23Å; E29-K144 PolarHBondContact OE2-NZ 3.48Å; P87-K144 HydrophobicContact CB-CB 4.15Å; N88-K144 HydrophobicContact CB-CD 3.91Å; N88-K144 HydrophobicContact CB-CG 4.49Å; N88-K144 WeakPolarHBondContact OD1-CE 3.46Å; N88-K144 PolarHBondContact OD1-NZ 3.21Å; I140-K144 PolarHBondContact O-N 3.22Å; W141-K144 HydrophobicContact CE3-CD 3.81Å; W141-K144 HydrophobicContact CZ3-CD 3.84Å; L142-K144 PolarHBondContact O-N 2.83Å; K144-L147 PolarHBondContact O-N 3.44Å; K144-Q148 WeakPolarHBondContact O-CG 3.47Å; K144-Q148 PolarHBondContact O-N 3.24Å |
| 145 | T | 93.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | -176.6 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | T33 W141 L142 I143 L147 Q148 L149 T253 R256 | T33-T145 HydrophobicContact CG2-CG2 4.23Å; W141-T145 WeakPolarHBondContact O-CB 2.93Å; W141-T145 PolarHBondContact O-N 3.42Å; W141-T145 PolarHBondContact O-OG1 2.95Å; W141-T145 VanDerWaalsContact O-OG1 3.04Å; L142-T145 PolarHBondContact O-N 3.01Å; I143-T145 PolarHBondContact O-N 2.93Å; T145-L147 PolarHBondContact O-N 3.14Å; T145-Q148 PolarHBondContact O-N 2.87Å; T145-L149 HydrophobicContact CG2-CD1 3.64Å; T145-L149 HydrophobicContact CG2-CG 4.25Å; T145-L149 WeakPolarHBondContact O-CB 3.2Å; T145-L149 WeakPolarHBondContact O-CG 3.16Å; T145-L149 PolarHBondContact O-N 3.47Å; T145-T253 HydrophobicContact CG2-CG2 4.34Å; T145-R256 HydrophobicContact CG2-CB 3.74Å; T145-R256 PolarHBondContact OG1-NH1 3.48Å |
| 146 | R | 92.8 | Very high | 87.5 | Confident | 10 Ų | 10 | 41 Ų | 41 | 4% | 0.038 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 178.3 | -76.1 | -164.8 | 178.5 | -171.3 | 11.3 | 112.9 | L142 I143 L149 D150 V168 D172 R256 E258 | L142-R146 HydrophobicContact CD1-CG 4.47Å; L142-R146 PolarHBondContact O-N 2.89Å; I143-R146 PolarHBondContact O-N 3.44Å; R146-L149 CarbonylContact O-C 3.53Å; R146-L149 PolarHBondContact O-N 2.91Å; R146-D150 PolarHBondContact O-N 2.82Å; R146-V168 VanDerWaalsContact NH1-CG2 3.29Å; R146-D172 IonicContact NH1-OD2 3.87Å; R146-D172 IonicContact NH2-OD2 3.37Å; R146-D172 PolarHBondContact NH2-OD2 2.96Å; R146-D172 VanDerWaalsContact NH2-OD2 3.15Å; R146-R256 VanDerWaalsContact CG-O 3.23Å; R146-R256 WeakPolarHBondContact CG-O 3.15Å; R146-R256 PolarHBondContact NE-O 3.07Å; R146-R256 VanDerWaalsContact NE-O 3.13Å; R146-E258 IonicContact NH1-OE1 3.22Å |
| 147 | L | 92.2 | Very high | 86.6 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -37 | 175.2 | -69.3 | 175.4 | 0 | 0 | 0 | 112.6 | R83 P87 I143 K144 T145 L149 D150 M159 A161 C164 | R83-L147 WeakPolarHBondContact CD-O 3.46Å; P87-L147 HydrophobicContact CG-CD1 3.83Å; I143-L147 HydrophobicContact CG2-CD1 4Å; I143-L147 HydrophobicContact CG2-CG 4.28Å; I143-L147 WeakPolarHBondContact O-CB 3.33Å; I143-L147 VanDerWaalsContact O-CG 3.28Å; I143-L147 WeakPolarHBondContact O-CG 3.44Å; I143-L147 PolarHBondContact O-N 2.85Å; K144-L147 PolarHBondContact O-N 3.44Å; T145-L147 PolarHBondContact O-N 3.14Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.24Å; L147-D150 PolarHBondContact O-N 2.66Å; L147-M159 HydrophobicContact CD2-CE 4.28Å; L147-M159 HydrophobicContact CD2-CG 4.49Å; L147-M159 WeakPolarHBondContact CD2-O 3.27Å; L147-A161 HydrophobicContact CD1-CB 3.82Å; L147-C164 HydrophobicContact CD2-CB 4.03Å |
| 148 | Q | 91.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -26.3 | 174.4 | -72.8 | -179.9 | -34.8 | 0 | 0 | 112.5 | V30 T33 R34 R83 K144 T145 | V30-Q148 HydrophobicContact CG2-CG 4.24Å; T33-Q148 HydrophobicContact CG2-CB 3.92Å; T33-Q148 PolarHBondContact OG1-OE1 3.45Å; R34-Q148 WeakPolarHBondContact CD-O 3.39Å; R34-Q148 PolarHBondContact NE-O 3.33Å; R34-Q148 VanDerWaalsContact NE-O 3.11Å; R34-Q148 PolarHBondContact NH1-O 2.92Å; R83-Q148 WeakPolarHBondContact O-CG 3.26Å; K144-Q148 WeakPolarHBondContact O-CG 3.47Å; K144-Q148 PolarHBondContact O-N 3.24Å; T145-Q148 PolarHBondContact O-N 2.87Å |
| 149 | L | 88.6 | Confident | 85.1 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -90.3 | -12.6 | 177.5 | -68.1 | 171.3 | 0 | 0 | 0 | 114.1 | T33 R34 T145 R146 L147 S151 T253 E257 | T33-L149 HydrophobicContact CG2-CD2 3.87Å; T33-L149 HydrophobicContact CG2-CG 3.98Å; R34-L149 PolarHBondContact NH1-O 3.39Å; T145-L149 HydrophobicContact CG2-CD1 3.64Å; T145-L149 HydrophobicContact CG2-CG 4.25Å; T145-L149 WeakPolarHBondContact O-CB 3.2Å; T145-L149 WeakPolarHBondContact O-CG 3.16Å; T145-L149 PolarHBondContact O-N 3.47Å; R146-L149 CarbonylContact O-C 3.53Å; R146-L149 PolarHBondContact O-N 2.91Å; L147-L149 VanDerWaalsContact C-N 3.26Å; L147-L149 PolarHBondContact O-N 3.24Å; L149-S151 PolarHBondContact O-N 3.23Å; L149-T253 HydrophobicContact CD1-CG2 4.15Å; L149-T253 HydrophobicContact CD2-CG2 4.01Å; L149-E257 HydrophobicContact CD1-CG 3.62Å |
| 150 | D | 84.7 | Confident | 84.7 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | trans | -70.1 | 98.5 | 175.6 | -179 | 55 | 0 | 0 | 0 | 109.4 | R34 R83 R146 L147 R152 M159 | R34-D150 VanDerWaalsContact NH1-C 3.27Å; R34-D150 PolarHBondContact NH1-O 2.86Å; R34-D150 VanDerWaalsContact NH2-C 3.34Å; R34-D150 PolarHBondContact NH2-O 3.35Å; R83-D150 VanDerWaalsContact CZ-O 3.28Å; R83-D150 IonicContact CZ-OD2 3.19Å; R83-D150 PolarHBondContact NH1-O 2.92Å; R83-D150 IonicContact NH1-OD2 2.68Å; R83-D150 PolarHBondContact NH1-OD2 3.49Å; R146-D150 PolarHBondContact O-N 2.82Å; L147-D150 PolarHBondContact O-N 2.66Å; D150-R152 IonicContact OD1-CZ 3.14Å; D150-R152 IonicContact OD1-NE 3.63Å; D150-R152 PolarHBondContact OD1-NE 3.4Å; D150-R152 IonicContact OD1-NH2 3.89Å; D150-R152 WeakPolarHBondContact OD2-CD 3.43Å; D150-R152 IonicContact OD2-NE 3.82Å; D150-R152 PolarHBondContact OD2-NE 3.22Å; D150-M159 HydrophobicContact CB-CE 4.24Å | ||
| 151 | S | 76.9 | Confident | 84.5 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | trans | -92.1 | 116.1 | 174.6 | -172.4 | 0 | 0 | 0 | 0 | 108 | R34 E76 L149 | R34-S151 VanDerWaalsContact NH1-CB 3.34Å; E76-S151 PolarHBondContact OE1-OG 2.83Å; L149-S151 PolarHBondContact O-N 3.23Å | ||
| 152 | R | 77 | Confident | 84.4 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 25% | 0.245 | 29% | 0.291 | C | S | . | . | trans | -134.9 | 136.8 | 179.4 | -71.8 | -172 | -172.4 | -136.3 | -12.8 | 109.7 | E76 D150 E156 R157 | E76-R152 WeakPolarHBondContact CG-O 3.18Å; D150-R152 IonicContact OD1-CZ 3.14Å; D150-R152 IonicContact OD1-NE 3.63Å; D150-R152 PolarHBondContact OD1-NE 3.4Å; D150-R152 IonicContact OD1-NH2 3.89Å; D150-R152 WeakPolarHBondContact OD2-CD 3.43Å; D150-R152 IonicContact OD2-NE 3.82Å; D150-R152 PolarHBondContact OD2-NE 3.22Å; R152-E156 WeakPolarHBondContact CA-OE2 3.41Å; R152-E156 HydrophobicContact CB-CB 4.11Å; R152-E156 VanDerWaalsContact CB-OE2 3.24Å; R152-E156 WeakPolarHBondContact CB-OE2 3.43Å; R152-R157 WeakPolarHBondContact CD-O 3.32Å; R152-R157 PolarHBondContact NH1-O 3.29Å | ||
| 153 | N | 74.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 61 Ų | 61 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | trans | -67.1 | 157.1 | -178.2 | -68.4 | -42.4 | 0 | 0 | 0 | 111.3 | Y43 K75 G155 E156 | Y43-N153 PolarHBondContact OH-OD1 2.71Å; K75-N153 CarbonylContact O-C 3.56Å; N153-G155 PolarHBondContact O-N 2.92Å; N153-G155 VanDerWaalsContact O-N 3.13Å; N153-E156 HydrophobicContact CB-CG 4.5Å; N153-E156 PolarHBondContact N-OE2 3.11Å; N153-E156 WeakPolarHBondContact O-CB 3.22Å; N153-E156 PolarHBondContact O-N 3.41Å | ||
| 154 | R | 67.3 | Low | 84.1 | Confident | 203 Ų | 203 | 60.5 Ų | 60.5 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 117.2 | 177.1 | -165.8 | 174.6 | -178 | 178.1 | -1.5 | 110.2 | K75 | K75-R154 WeakPolarHBondContact O-CB 3.33Å; K75-R154 PolarHBondContact O-N 2.72Å |
| 155 | G | 65.4 | Low | 84.1 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 87% | 0.866 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111 | -18.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N153 | N153-G155 PolarHBondContact O-N 2.92Å; N153-G155 VanDerWaalsContact O-N 3.13Å |
| 156 | E | 78.3 | Confident | 84.2 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 43% | 0.425 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -74.5 | 141.5 | 173.6 | -69.6 | 172.4 | -166.5 | 0 | 0 | 111.3 | R152 N153 R158 | R152-E156 WeakPolarHBondContact CA-OE2 3.41Å; R152-E156 HydrophobicContact CB-CB 4.11Å; R152-E156 VanDerWaalsContact CB-OE2 3.24Å; R152-E156 WeakPolarHBondContact CB-OE2 3.43Å; N153-E156 HydrophobicContact CB-CG 4.5Å; N153-E156 PolarHBondContact N-OE2 3.11Å; N153-E156 WeakPolarHBondContact O-CB 3.22Å; N153-E156 PolarHBondContact O-N 3.41Å; E156-R158 PolarHBondContact O-N 3.04Å |
| 157 | R | 77.6 | Confident | 84.2 | Confident | 175 Ų | 175 | 74.9 Ų | 74.9 | 66% | 0.66 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 122.3 | 176.7 | -164.8 | 177.7 | 81.7 | 118.4 | 13.1 | 109.2 | R152 E163 | R152-R157 WeakPolarHBondContact CD-O 3.32Å; R152-R157 PolarHBondContact NH1-O 3.29Å; R157-E163 IonicContact CZ-OE1 2.62Å; R157-E163 IonicContact CZ-OE2 2.81Å; R157-E163 IonicContact NH1-OE1 3.78Å; R157-E163 PolarHBondContact NH1-OE1 3.46Å; R157-E163 IonicContact NH2-OE1 3.97Å; R157-E163 PolarHBondContact NH2-OE1 2.82Å; R157-E163 IonicContact NH2-OE2 3.09Å; R157-E163 PolarHBondContact NH2-OE2 3.05Å |
| 158 | R | 75.4 | Confident | 84.3 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 142.9 | 179.8 | -63.4 | 179.3 | 178.3 | 179.9 | -6.5 | 110.3 | E76 R79 E156 | E76-R158 PolarHBondContact O-NH2 2.94Å; R79-R158 VanDerWaalsContact CB-NH1 3.25Å; E156-R158 PolarHBondContact O-N 3.04Å |
| 159 | M | 82.9 | Confident | 84.5 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 126.2 | 175.6 | -174.3 | 167.8 | 59 | 0 | 0 | 110.2 | L147 D150 E163 C164 | L147-M159 HydrophobicContact CD2-CE 4.28Å; L147-M159 HydrophobicContact CD2-CG 4.49Å; L147-M159 WeakPolarHBondContact CD2-O 3.27Å; D150-M159 HydrophobicContact CB-CE 4.24Å; M159-E163 HydrophobicContact CG-CB 3.98Å; M159-C164 HydrophobicContact CE-CB 3.84Å; M159-C164 HydrophobicContact CG-CB 4.11Å; M159-C164 HydrophobicContact SD-CB 3.85Å |
| 160 | N | 88 | Confident | 84.7 | Confident | 102 Ų | 102 | 86 Ų | 86 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 160.6 | 173.1 | -72.4 | -27.9 | 0 | 0 | 0 | 111.3 | F162 E163 C164 | N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 3.24Å; N160-E163 HydrophobicContact CB-CG 4.17Å; N160-E163 PolarHBondContact N-OE2 2.88Å; N160-E163 PolarHBondContact O-N 3.47Å; N160-E163 VanDerWaalsContact O-N 3.11Å; N160-C164 PolarHBondContact O-N 2.88Å |
| 161 | A | 90.4 | Very high | 85 | Confident | 39 Ų | 39 | 89.9 Ų | 89.9 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P87 I143 L147 C164 M165 | P87-A161 HydrophobicContact CG-CB 4.01Å; I143-A161 HydrophobicContact CG2-CB 4.12Å; L147-A161 HydrophobicContact CD1-CB 3.82Å; A161-C164 PolarHBondContact O-N 3.44Å; A161-M165 WeakPolarHBondContact O-CB 3.48Å; A161-M165 PolarHBondContact O-N 3.49Å |
| 162 | F | 92.3 | Very high | 85.7 | Confident | 140 Ų | 140 | 89.7 Ų | 89.7 | 61% | 0.614 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66 | -38.1 | 176.8 | -172 | -96.5 | 0 | 0 | 0 | 112.5 | N160 M165 R166 | N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 3.24Å; F162-M165 HydrophobicContact CD2-CE 3.46Å; F162-M165 VanDerWaalsContact CD2-CE 3.46Å; F162-M165 HydrophobicContact CE2-CE 3.62Å; F162-M165 HydrophobicContact CG-CE 4.4Å; F162-M165 PolarHBondContact O-N 3.04Å; F162-R166 WeakPolarHBondContact O-CB 3.19Å; F162-R166 PolarHBondContact O-N 2.89Å |
| 163 | E | 92.2 | Very high | 86.4 | Confident | 51 Ų | 51 | 87.8 Ų | 87.8 | 24% | 0.238 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 176 | -64.6 | -178.3 | 157 | 0 | 0 | 111.2 | R157 M159 N160 M165 R166 R167 | R157-E163 IonicContact CZ-OE1 2.62Å; R157-E163 IonicContact CZ-OE2 2.81Å; R157-E163 IonicContact NH1-OE1 3.78Å; R157-E163 PolarHBondContact NH1-OE1 3.46Å; R157-E163 IonicContact NH2-OE1 3.97Å; R157-E163 PolarHBondContact NH2-OE1 2.82Å; R157-E163 IonicContact NH2-OE2 3.09Å; R157-E163 PolarHBondContact NH2-OE2 3.05Å; M159-E163 HydrophobicContact CG-CB 3.98Å; N160-E163 HydrophobicContact CB-CG 4.17Å; N160-E163 PolarHBondContact N-OE2 2.88Å; N160-E163 PolarHBondContact O-N 3.47Å; N160-E163 VanDerWaalsContact O-N 3.11Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.43Å; E163-R166 PolarHBondContact O-N 2.92Å; E163-R167 VanDerWaalsContact O-CB 3.31Å; E163-R167 WeakPolarHBondContact O-CB 3.32Å; E163-R167 PolarHBondContact O-N 3.27Å |
| 164 | C | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 173.6 | -173.5 | 0 | 0 | 0 | 0 | 111 | I143 L147 M159 N160 A161 R167 V168 | I143-C164 HydrophobicContact CD1-CB 4.3Å; I143-C164 HydrophobicContact CG2-CB 4.31Å; L147-C164 HydrophobicContact CD2-CB 4.03Å; M159-C164 HydrophobicContact CE-CB 3.84Å; M159-C164 HydrophobicContact CG-CB 4.11Å; M159-C164 HydrophobicContact SD-CB 3.85Å; N160-C164 PolarHBondContact O-N 2.88Å; A161-C164 PolarHBondContact O-N 3.44Å; C164-R167 PolarHBondContact O-N 3.24Å; C164-V168 WeakPolarHBondContact O-CG2 3.18Å; C164-V168 PolarHBondContact O-N 3.4Å |
| 165 | M | 93.9 | Very high | 88.5 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 176.1 | -178.1 | 173.9 | 69.8 | 0 | 0 | 112.1 | I143 A161 F162 E163 R167 V168 Y169 F177 | I143-M165 HydrophobicContact CD1-CB 4.18Å; A161-M165 WeakPolarHBondContact O-CB 3.48Å; A161-M165 PolarHBondContact O-N 3.49Å; F162-M165 HydrophobicContact CD2-CE 3.46Å; F162-M165 VanDerWaalsContact CD2-CE 3.46Å; F162-M165 HydrophobicContact CE2-CE 3.62Å; F162-M165 HydrophobicContact CG-CE 4.4Å; F162-M165 PolarHBondContact O-N 3.04Å; E163-M165 VanDerWaalsContact C-N 3.33Å; E163-M165 PolarHBondContact O-N 3.43Å; M165-R167 VanDerWaalsContact C-N 3.31Å; M165-R167 PolarHBondContact O-N 3.09Å; M165-V168 PolarHBondContact O-N 2.96Å; M165-Y169 PolarHBondContact O-N 3.26Å; M165-F177 HydrophobicContact CG-CE1 3.85Å; M165-F177 HydrophobicContact CG-CZ 3.78Å; M165-F177 WeakPolarHBondContact O-CZ 3.19Å |
| 166 | R | 94.7 | Very high | 89.8 | Confident | 154 Ų | 154 | 87.2 Ų | 87.2 | 58% | 0.581 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 176.2 | -175.5 | 178.2 | -179.2 | 172 | 3.8 | 111.3 | F162 E163 Y169 Q170 | F162-R166 WeakPolarHBondContact O-CB 3.19Å; F162-R166 PolarHBondContact O-N 2.89Å; E163-R166 PolarHBondContact O-N 2.92Å; R166-Y169 PolarHBondContact O-N 3.41Å; R166-Q170 HydrophobicContact CG-CG 4.44Å; R166-Q170 WeakPolarHBondContact O-CB 3.34Å; R166-Q170 VanDerWaalsContact O-CG 3.29Å; R166-Q170 WeakPolarHBondContact O-CG 3.39Å; R166-Q170 PolarHBondContact O-N 3.26Å |
| 167 | R | 92.8 | Very high | 90.5 | Very high | 106 Ų | 106 | 83.9 Ų | 83.9 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 178.9 | -171.1 | 177.4 | -169.5 | -173.4 | 0 | 112.1 | E163 C164 M165 Y169 Q170 V171 E258 | E163-R167 VanDerWaalsContact O-CB 3.31Å; E163-R167 WeakPolarHBondContact O-CB 3.32Å; E163-R167 PolarHBondContact O-N 3.27Å; C164-R167 PolarHBondContact O-N 3.24Å; M165-R167 VanDerWaalsContact C-N 3.31Å; M165-R167 PolarHBondContact O-N 3.09Å; R167-Y169 VanDerWaalsContact C-N 3.31Å; R167-Y169 PolarHBondContact O-N 2.94Å; R167-Q170 PolarHBondContact O-N 3.49Å; R167-V171 HydrophobicContact CG-CG2 4.38Å; R167-V171 WeakPolarHBondContact O-CB 3.24Å; R167-V171 WeakPolarHBondContact O-CG2 3.19Å; R167-V171 PolarHBondContact O-N 2.95Å; R167-E258 IonicContact CZ-OE2 3.24Å; R167-E258 VanDerWaalsContact CZ-OE2 3.31Å; R167-E258 IonicContact NE-OE2 3.19Å; R167-E258 IonicContact NH1-OE1 2.71Å; R167-E258 IonicContact NH1-OE2 2.95Å; R167-E258 PolarHBondContact NH1-OE2 2.98Å; R167-E258 IonicContact NH2-OE2 3.94Å |
| 168 | V | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 174.9 | 173.9 | 0 | 0 | 0 | 0 | 110 | L142 I143 R146 C164 M165 Q170 V171 D172 G173 F177 | L142-V168 HydrophobicContact CD2-CG1 4.12Å; L142-V168 HydrophobicContact CD2-CG2 4.39Å; I143-V168 HydrophobicContact CD1-CG2 3.96Å; R146-V168 VanDerWaalsContact NH1-CG2 3.29Å; C164-V168 WeakPolarHBondContact O-CG2 3.18Å; C164-V168 PolarHBondContact O-N 3.4Å; M165-V168 PolarHBondContact O-N 2.96Å; V168-Q170 PolarHBondContact O-N 3.4Å; V168-V171 PolarHBondContact O-N 2.64Å; V168-D172 PolarHBondContact O-N 3Å; V168-G173 PolarHBondContact O-N 2.91Å; V168-F177 HydrophobicContact CB-CE1 4.1Å; V168-F177 HydrophobicContact CB-CE2 4.33Å; V168-F177 HydrophobicContact CB-CZ 3.91Å; V168-F177 HydrophobicContact CG1-CD1 4.01Å; V168-F177 HydrophobicContact CG1-CD2 3.92Å; V168-F177 HydrophobicContact CG1-CE1 3.88Å; V168-F177 HydrophobicContact CG1-CE2 3.78Å; V168-F177 HydrophobicContact CG1-CG 4.05Å; V168-F177 HydrophobicContact CG1-CZ 3.77Å |
| 169 | Y | 95.3 | Very high | 92.2 | Very high | 139 Ų | 139 | 79.6 Ų | 79.6 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | -179.8 | -174 | -100.9 | 0 | 0 | 0 | 112.6 | M165 R166 R167 G173 L174 F177 | M165-Y169 PolarHBondContact O-N 3.26Å; R166-Y169 PolarHBondContact O-N 3.41Å; R167-Y169 VanDerWaalsContact C-N 3.31Å; R167-Y169 PolarHBondContact O-N 2.94Å; Y169-G173 WeakPolarHBondContact O-CA 3.4Å; Y169-G173 PolarHBondContact O-N 3.22Å; Y169-G173 VanDerWaalsContact O-N 3.11Å; Y169-L174 HydrophobicContact CD2-CD2 4.1Å; Y169-L174 HydrophobicContact CE2-CD2 3.82Å; Y169-L174 HydrophobicContact CE2-CG 4.05Å; Y169-F177 HydrophobicContact CD2-CE2 4.24Å |
| 170 | Q | 94.3 | Very high | 92.6 | Very high | 127 Ų | 127 | 79 Ų | 79 | 59% | 0.593 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.2 | -36.2 | 179.5 | -74.8 | 175.9 | -23.9 | 0 | 0 | 113.5 | R166 R167 V168 | R166-Q170 HydrophobicContact CG-CG 4.44Å; R166-Q170 WeakPolarHBondContact O-CB 3.34Å; R166-Q170 VanDerWaalsContact O-CG 3.29Å; R166-Q170 WeakPolarHBondContact O-CG 3.39Å; R166-Q170 PolarHBondContact O-N 3.26Å; R167-Q170 PolarHBondContact O-N 3.49Å; V168-Q170 PolarHBondContact O-N 3.4Å |
| 171 | V | 91.1 | Very high | 92.9 | Very high | 104 Ų | 104 | 75.3 Ų | 75.3 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -89.7 | -47.3 | -175.2 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | R167 V168 | R167-V171 HydrophobicContact CG-CG2 4.38Å; R167-V171 WeakPolarHBondContact O-CB 3.24Å; R167-V171 WeakPolarHBondContact O-CG2 3.19Å; R167-V171 PolarHBondContact O-N 2.95Å; V168-V171 PolarHBondContact O-N 2.64Å |
| 172 | D | 89.9 | Confident | 93.1 | Very high | 43 Ų | 43 | 76 Ų | 76 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -112.5 | -4.7 | -169.7 | -68.2 | -52.5 | 0 | 0 | 0 | 112.7 | R146 V168 G176 R179 | R146-D172 IonicContact NH1-OD2 3.87Å; R146-D172 IonicContact NH2-OD2 3.37Å; R146-D172 PolarHBondContact NH2-OD2 2.96Å; R146-D172 VanDerWaalsContact NH2-OD2 3.15Å; V168-D172 PolarHBondContact O-N 3Å; D172-G176 PolarHBondContact O-N 2.93Å; D172-R179 IonicContact OD1-CZ 3.05Å; D172-R179 IonicContact OD1-NE 2.9Å; D172-R179 IonicContact OD1-NH2 3.84Å; D172-R179 PolarHBondContact OD1-NH2 3.39Å; D172-R179 IonicContact OD2-CZ 3.71Å; D172-R179 IonicContact OD2-NE 3.67Å; D172-R179 IonicContact OD2-NH2 3.51Å |
| 173 | G | 93.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 69.4 Ų | 69.4 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | 61.9 | -156 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | V168 Y169 R175 G176 | V168-G173 PolarHBondContact O-N 2.91Å; Y169-G173 WeakPolarHBondContact O-CA 3.4Å; Y169-G173 PolarHBondContact O-N 3.22Å; Y169-G173 VanDerWaalsContact O-N 3.11Å; G173-R175 VanDerWaalsContact C-N 3.27Å; G173-R175 PolarHBondContact O-N 3.42Å; G173-G176 PolarHBondContact O-N 3.35Å |
| 174 | L | 93.4 | Very high | 93.2 | Very high | 120 Ų | 120 | 67.3 Ų | 67.3 | 63% | 0.628 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.3 | -31.7 | 177.5 | -68.9 | 175.8 | 0 | 0 | 0 | 112.8 | Y169 G176 F177 Y178 | Y169-L174 HydrophobicContact CD2-CD2 4.1Å; Y169-L174 HydrophobicContact CE2-CD2 3.82Å; Y169-L174 HydrophobicContact CE2-CG 4.05Å; L174-G176 PolarHBondContact O-N 3.4Å; L174-F177 PolarHBondContact O-N 2.92Å; L174-Y178 WeakPolarHBondContact O-CD2 3.41Å |
| 175 | R | 91.5 | Very high | 93.3 | Very high | 224 Ų | 224 | 70.3 Ų | 70.3 | 85% | 0.845 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.2 | -28.6 | 179 | -70.4 | -178 | 174 | -177.9 | -1.4 | 112.3 | G173 F177 Y178 | G173-R175 VanDerWaalsContact C-N 3.27Å; G173-R175 PolarHBondContact O-N 3.42Å; R175-F177 PolarHBondContact O-N 3.46Å; R175-Y178 PolarHBondContact O-N 3.04Å; R175-Y178 VanDerWaalsContact O-N 3.1Å |
| 176 | G | 91.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.3 | -39.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L142 D172 G173 L174 Y178 R179 | L142-G176 WeakPolarHBondContact CD2-O 3.49Å; D172-G176 PolarHBondContact O-N 2.93Å; G173-G176 PolarHBondContact O-N 3.35Å; L174-G176 PolarHBondContact O-N 3.4Å; G176-Y178 PolarHBondContact O-N 2.95Å; G176-Y178 VanDerWaalsContact O-N 3.11Å; G176-R179 WeakPolarHBondContact O-CB 3.47Å; G176-R179 WeakPolarHBondContact O-CG 3.38Å; G176-R179 PolarHBondContact O-N 2.94Å |
| 177 | F | 94.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 61 Ų | 61 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -14.2 | -179.5 | -68.3 | -79.9 | 0 | 0 | 0 | 114.5 | N138 P139 L142 I143 M165 V168 Y169 L174 R175 | N138-F177 PolarHBondContact ND2-O 3.02Å; P139-F177 HydrophobicContact CB-CB 4.08Å; P139-F177 HydrophobicContact CB-CD1 3.88Å; P139-F177 HydrophobicContact CB-CG 4.3Å; P139-F177 HydrophobicContact CG-CB 4.06Å; L142-F177 VanDerWaalsContact CD2-CA 3.49Å; L142-F177 HydrophobicContact CD2-CD1 4.33Å; I143-F177 HydrophobicContact CD1-CE1 4.13Å; I143-F177 HydrophobicContact CG1-CE1 4.5Å; M165-F177 HydrophobicContact CG-CE1 3.85Å; M165-F177 HydrophobicContact CG-CZ 3.78Å; M165-F177 WeakPolarHBondContact O-CZ 3.19Å; V168-F177 HydrophobicContact CB-CE1 4.1Å; V168-F177 HydrophobicContact CB-CE2 4.33Å; V168-F177 HydrophobicContact CB-CZ 3.91Å; V168-F177 HydrophobicContact CG1-CD1 4.01Å; V168-F177 HydrophobicContact CG1-CD2 3.92Å; V168-F177 HydrophobicContact CG1-CE1 3.88Å; V168-F177 HydrophobicContact CG1-CE2 3.78Å; V168-F177 HydrophobicContact CG1-CG 4.05Å; V168-F177 HydrophobicContact CG1-CZ 3.77Å; Y169-F177 HydrophobicContact CD2-CE2 4.24Å; L174-F177 PolarHBondContact O-N 2.92Å; R175-F177 PolarHBondContact O-N 3.46Å |
| 178 | Y | 94.6 | Very high | 92.9 | Very high | 111 Ų | 111 | 57.7 Ų | 57.7 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 5.7 | -176.3 | -68.9 | -102.1 | 0 | 0 | 0 | 112.6 | T135 N138 L174 R175 G176 M181 | T135-Y178 HydrophobicContact CG2-CE1 4.28Å; N138-Y178 VanDerWaalsContact ND2-CA 3.33Å; N138-Y178 WeakPolarHBondContact ND2-CA 3.47Å; L174-Y178 WeakPolarHBondContact O-CD2 3.41Å; R175-Y178 PolarHBondContact O-N 3.04Å; R175-Y178 VanDerWaalsContact O-N 3.1Å; G176-Y178 PolarHBondContact O-N 2.95Å; G176-Y178 VanDerWaalsContact O-N 3.11Å; Y178-M181 HydrophobicContact CD1-CE 3.15Å; Y178-M181 HydrophobicContact CD1-SD 3.87Å; Y178-M181 HydrophobicContact CE1-CE 3.69Å; Y178-M181 HydrophobicContact CG-CE 4.1Å; Y178-M181 WeakPolarHBondContact O-CB 3.02Å; Y178-M181 PolarHBondContact O-N 3.29Å |
| 179 | R | 92.7 | Very high | 92.7 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 25% | 0.249 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 140.5 | 173.7 | -73.9 | -173.4 | -179.6 | -156.6 | 4.5 | 111.8 | N138 L142 D172 G176 M181 G259 | N138-R179 PolarHBondContact ND2-O 3.29Å; L142-R179 HydrophobicContact CD1-CB 4.28Å; D172-R179 IonicContact OD1-CZ 3.05Å; D172-R179 IonicContact OD1-NE 2.9Å; D172-R179 IonicContact OD1-NH2 3.84Å; D172-R179 PolarHBondContact OD1-NH2 3.39Å; D172-R179 IonicContact OD2-CZ 3.71Å; D172-R179 IonicContact OD2-NE 3.67Å; D172-R179 IonicContact OD2-NH2 3.51Å; G176-R179 WeakPolarHBondContact O-CB 3.47Å; G176-R179 WeakPolarHBondContact O-CG 3.38Å; G176-R179 PolarHBondContact O-N 2.94Å; R179-M181 PolarHBondContact O-N 3.19Å; R179-G259 PolarHBondContact NH1-O 3.44Å |
| 180 | G | 92.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 5.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A183 S184 | G180-A183 PolarHBondContact O-N 3.09Å; G180-S184 PolarHBondContact O-N 2.58Å; G180-S184 PolarHBondContact O-OG 3.25Å |
| 181 | M | 93.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 179.4 | 178.4 | 170.3 | -72.8 | 0 | 0 | 112.9 | I134 T135 N138 Y178 R179 A183 S184 Y185 | I134-M181 HydrophobicContact CG2-CG 4.46Å; T135-M181 HydrophobicContact CG2-CE 4.35Å; N138-M181 HydrophobicContact CB-CE 3.48Å; N138-M181 VanDerWaalsContact CB-CE 3.48Å; Y178-M181 HydrophobicContact CD1-CE 3.15Å; Y178-M181 HydrophobicContact CD1-SD 3.87Å; Y178-M181 HydrophobicContact CE1-CE 3.69Å; Y178-M181 HydrophobicContact CG-CE 4.1Å; Y178-M181 WeakPolarHBondContact O-CB 3.02Å; Y178-M181 PolarHBondContact O-N 3.29Å; R179-M181 PolarHBondContact O-N 3.19Å; M181-A183 VanDerWaalsContact C-N 3.3Å; M181-A183 PolarHBondContact O-N 2.9Å; M181-S184 CarbonylContact O-C 3.59Å; M181-S184 VanDerWaalsContact O-CA 3.3Å; M181-S184 WeakPolarHBondContact O-CA 3.3Å; M181-S184 WeakPolarHBondContact O-CB 3.45Å; M181-S184 PolarHBondContact O-N 2.94Å; M181-Y185 HydrophobicContact CG-CD2 4.2Å; M181-Y185 HydrophobicContact CG-CE1 4.1Å; M181-Y185 HydrophobicContact CG-CE2 3.5Å; M181-Y185 VanDerWaalsContact CG-CE2 3.5Å; M181-Y185 VanDerWaalsContact CG-CZ 3.44Å; M181-Y185 PolarHBondContact O-N 3.36Å; M181-Y185 HydrophobicContact SD-CE2 4.06Å; M181-Y185 PolarHBondContact SD-OH 3.01Å |
| 182 | S | 94 | Very high | 92.1 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 175.9 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | S184 Y185 A186 | S182-S184 VanDerWaalsContact C-N 3.25Å; S182-S184 PolarHBondContact O-N 3.38Å; S182-Y185 PolarHBondContact O-N 2.71Å; S182-A186 PolarHBondContact O-N 3.03Å |
| 183 | A | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.7 | -24.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | G180 M181 G187 H248 I251 R252 L255 F265 | G180-A183 PolarHBondContact O-N 3.09Å; M181-A183 VanDerWaalsContact C-N 3.3Å; M181-A183 PolarHBondContact O-N 2.9Å; A183-G187 PolarHBondContact O-N 2.87Å; A183-H248 PolarHBondContact O-CD2 3.4Å; A183-H248 VanDerWaalsContact O-CD2 3.3Å; A183-I251 HydrophobicContact CB-CG2 4.18Å; A183-R252 VanDerWaalsContact CB-CA 3.47Å; A183-R252 HydrophobicContact CB-CB 3.58Å; A183-R252 HydrophobicContact CB-CG 4.16Å; A183-R252 PolarHBondContact O-NE 2.76Å; A183-R252 PolarHBondContact O-NH2 2.64Å; A183-L255 HydrophobicContact CB-CD1 4.12Å; A183-F265 HydrophobicContact CB-CD2 3.72Å; A183-F265 HydrophobicContact CB-CE2 3.97Å |
| 184 | S | 94 | Very high | 92.3 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.3 | -43.6 | 172.5 | -54.2 | 0 | 0 | 0 | 0 | 111 | G180 M181 S182 G187 R252 R256 | G180-S184 PolarHBondContact O-N 2.58Å; G180-S184 PolarHBondContact O-OG 3.25Å; M181-S184 CarbonylContact O-C 3.59Å; M181-S184 VanDerWaalsContact O-CA 3.3Å; M181-S184 WeakPolarHBondContact O-CA 3.3Å; M181-S184 WeakPolarHBondContact O-CB 3.45Å; M181-S184 PolarHBondContact O-N 2.94Å; S182-S184 VanDerWaalsContact C-N 3.25Å; S182-S184 PolarHBondContact O-N 3.38Å; S184-G187 WeakPolarHBondContact O-CA 3.35Å; S184-G187 PolarHBondContact O-N 3.48Å; S184-R252 PolarHBondContact OG-NE 2.86Å; S184-R256 PolarHBondContact OG-NH2 3.29Å |
| 185 | Y | 94.8 | Very high | 92.1 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 173 | -59 | -35.6 | 0 | 0 | 0 | 113.4 | F131 I134 T135 M181 S182 G187 I188 | F131-Y185 AromaticContact CD1-CD1 3.37Å; F131-Y185 HydrophobicContact CD1-CD1 3.37Å; F131-Y185 HydrophobicContact CD1-CD2 4.33Å; F131-Y185 AromaticContact CD1-CE1 3.39Å; F131-Y185 HydrophobicContact CD1-CE1 3.39Å; F131-Y185 HydrophobicContact CD1-CE2 4.32Å; F131-Y185 AromaticContact CD1-CG 3.88Å; F131-Y185 HydrophobicContact CD1-CG 3.88Å; F131-Y185 AromaticContact CD1-CZ 3.87Å; F131-Y185 AromaticContact CE1-CD1 3.47Å; F131-Y185 HydrophobicContact CE1-CD1 3.47Å; F131-Y185 VanDerWaalsContact CE1-CD1 3.47Å; F131-Y185 AromaticContact CE1-CD2 3.97Å; F131-Y185 HydrophobicContact CE1-CD2 3.97Å; F131-Y185 AromaticContact CE1-CE1 3.94Å; F131-Y185 HydrophobicContact CE1-CE1 3.94Å; F131-Y185 HydrophobicContact CE1-CE2 4.35Å; F131-Y185 AromaticContact CE1-CG 3.5Å; F131-Y185 HydrophobicContact CE1-CG 3.5Å; F131-Y185 VanDerWaalsContact CE1-CG 3.5Å; F131-Y185 HydrophobicContact CG-CD1 4.4Å; F131-Y185 HydrophobicContact CG-CE1 4.36Å; I134-Y185 HydrophobicContact CB-CD1 4.3Å; I134-Y185 HydrophobicContact CB-CE1 3.92Å; I134-Y185 HydrophobicContact CD1-CD1 4.07Å; I134-Y185 HydrophobicContact CG2-CD1 3.84Å; I134-Y185 HydrophobicContact CG2-CE1 3.51Å; T135-Y185 PolarHBondContact OG1-OH 3.33Å; M181-Y185 HydrophobicContact CG-CD2 4.2Å; M181-Y185 HydrophobicContact CG-CE1 4.1Å; M181-Y185 HydrophobicContact CG-CE2 3.5Å; M181-Y185 VanDerWaalsContact CG-CE2 3.5Å; M181-Y185 VanDerWaalsContact CG-CZ 3.44Å; M181-Y185 PolarHBondContact O-N 3.36Å; M181-Y185 HydrophobicContact SD-CE2 4.06Å; M181-Y185 PolarHBondContact SD-OH 3.01Å; S182-Y185 PolarHBondContact O-N 2.71Å; Y185-G187 PolarHBondContact O-N 3.48Å; Y185-G187 VanDerWaalsContact O-N 3.09Å; Y185-I188 HydrophobicContact CD1-CD1 4.41Å; Y185-I188 VanDerWaalsContact O-CB 3.3Å; Y185-I188 WeakPolarHBondContact O-CB 3.27Å; Y185-I188 WeakPolarHBondContact O-CG1 3.48Å; Y185-I188 PolarHBondContact O-N 3Å |
| 186 | A | 92.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 45 Ų | 45 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.9 | -26.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S182 I188 S189 H248 F265 | S182-A186 PolarHBondContact O-N 3.03Å; A186-I188 VanDerWaalsContact C-N 3.28Å; A186-I188 PolarHBondContact O-N 3.13Å; A186-S189 WeakPolarHBondContact O-CB 3.3Å; A186-S189 PolarHBondContact O-N 3.2Å; A186-S189 PolarHBondContact O-OG 3.35Å; A186-H248 HydrophobicContact CB-CB 3.88Å; A186-F265 HydrophobicContact CB-CE2 3.9Å; A186-F265 HydrophobicContact CB-CZ 3.92Å |
| 187 | G | 90.2 | Very high | 92.2 | Very high | 12 Ų | 12 | 47 Ų | 47 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -20 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A183 S184 Y185 S189 E190 H248 | A183-G187 PolarHBondContact O-N 2.87Å; S184-G187 WeakPolarHBondContact O-CA 3.35Å; S184-G187 PolarHBondContact O-N 3.48Å; Y185-G187 PolarHBondContact O-N 3.48Å; Y185-G187 VanDerWaalsContact O-N 3.09Å; G187-S189 PolarHBondContact O-N 2.99Å; G187-E190 VanDerWaalsContact O-CB 3.25Å; G187-E190 WeakPolarHBondContact O-CB 2.8Å; G187-E190 PolarHBondContact O-N 3.17Å; G187-E190 VanDerWaalsContact O-N 3.09Å; G187-H248 VanDerWaalsContact CA-NE2 3.29Å; G187-H248 WeakPolarHBondContact CA-NE2 3.38Å |
| 188 | I | 88.9 | Confident | 92.1 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.195 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.8 | -31.8 | 172.4 | -58.5 | 173 | 0 | 0 | 0 | 109.9 | F131 I134 Y185 A186 E190 T191 V192 | F131-I188 HydrophobicContact CD1-CD1 4.27Å; F131-I188 HydrophobicContact CD2-CD1 3.87Å; F131-I188 HydrophobicContact CE1-CD1 4.13Å; F131-I188 HydrophobicContact CE2-CD1 3.7Å; F131-I188 HydrophobicContact CG-CD1 4.13Å; F131-I188 HydrophobicContact CZ-CD1 3.83Å; I134-I188 HydrophobicContact CD1-CD1 4.04Å; I134-I188 HydrophobicContact CD1-CG1 4.02Å; Y185-I188 HydrophobicContact CD1-CD1 4.41Å; Y185-I188 VanDerWaalsContact O-CB 3.3Å; Y185-I188 WeakPolarHBondContact O-CB 3.27Å; Y185-I188 WeakPolarHBondContact O-CG1 3.48Å; Y185-I188 PolarHBondContact O-N 3Å; A186-I188 VanDerWaalsContact C-N 3.28Å; A186-I188 PolarHBondContact O-N 3.13Å; I188-E190 PolarHBondContact O-N 3.39Å; I188-T191 PolarHBondContact O-N 3.22Å; I188-V192 PolarHBondContact O-N 2.85Å |
| 189 | S | 90.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63 | -29 | 176.5 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | A186 G187 T191 V192 I193 | A186-S189 WeakPolarHBondContact O-CB 3.3Å; A186-S189 PolarHBondContact O-N 3.2Å; A186-S189 PolarHBondContact O-OG 3.35Å; G187-S189 PolarHBondContact O-N 2.99Å; S189-T191 VanDerWaalsContact C-N 3.31Å; S189-T191 PolarHBondContact O-N 2.95Å; S189-V192 PolarHBondContact O-N 3.46Å; S189-I193 WeakPolarHBondContact O-CD1 3.29Å; S189-I193 WeakPolarHBondContact O-CG1 3.25Å; S189-I193 PolarHBondContact O-N 3.15Å |
| 190 | E | 91.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 175.4 | -171.7 | -168.2 | 142 | 0 | 0 | 111.5 | G187 I188 V192 I193 H194 K238 T242 A245 H248 | G187-E190 VanDerWaalsContact O-CB 3.25Å; G187-E190 WeakPolarHBondContact O-CB 2.8Å; G187-E190 PolarHBondContact O-N 3.17Å; G187-E190 VanDerWaalsContact O-N 3.09Å; I188-E190 PolarHBondContact O-N 3.39Å; E190-V192 VanDerWaalsContact C-N 3.34Å; E190-I193 PolarHBondContact O-N 2.92Å; E190-H194 VanDerWaalsContact O-CB 3.31Å; E190-H194 WeakPolarHBondContact O-CB 3.34Å; E190-H194 PolarHBondContact O-N 3.3Å; E190-K238 IonicContact OE1-NZ 3.69Å; E190-K238 PolarHBondContact OE1-NZ 3.37Å; E190-T242 PolarHBondContact OE1-OG1 3.44Å; E190-A245 HydrophobicContact CB-CB 3.65Å; E190-A245 HydrophobicContact CG-CB 3.82Å; E190-H248 IonicContact OE2-CE1 2.96Å; E190-H248 PolarHBondContact OE2-CE1 3.24Å |
| 191 | T | 87.8 | Confident | 91.9 | Very high | 93 Ų | 93 | 47.6 Ų | 47.6 | 57% | 0.571 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 177.3 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | I188 S189 H194 F195 | I188-T191 PolarHBondContact O-N 3.22Å; S189-T191 VanDerWaalsContact C-N 3.31Å; S189-T191 PolarHBondContact O-N 2.95Å; T191-H194 PolarHBondContact O-N 3.48Å; T191-F195 WeakPolarHBondContact O-CB 3.31Å; T191-F195 PolarHBondContact O-N 3.49Å |
| 192 | V | 89.1 | Confident | 91.6 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 177 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | I188 S189 E190 H194 F195 V196 | I188-V192 PolarHBondContact O-N 2.85Å; S189-V192 PolarHBondContact O-N 3.46Å; E190-V192 VanDerWaalsContact C-N 3.34Å; V192-H194 VanDerWaalsContact C-N 3.32Å; V192-H194 PolarHBondContact O-N 3.4Å; V192-F195 PolarHBondContact O-N 2.93Å; V192-V196 WeakPolarHBondContact O-CG2 3.06Å; V192-V196 PolarHBondContact O-N 3.03Å |
| 193 | I | 92.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 23% | 0.226 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.1 | -65 | 161.9 | 0 | 0 | 0 | 110.3 | S189 E190 F195 V196 I197 A241 I244 A245 | S189-I193 WeakPolarHBondContact O-CD1 3.29Å; S189-I193 WeakPolarHBondContact O-CG1 3.25Å; S189-I193 PolarHBondContact O-N 3.15Å; E190-I193 PolarHBondContact O-N 2.92Å; I193-F195 PolarHBondContact O-N 2.88Å; I193-V196 PolarHBondContact O-N 3.12Å; I193-I197 HydrophobicContact CG2-CD1 3.66Å; I193-I197 HydrophobicContact CG2-CG1 4.37Å; I193-I197 VanDerWaalsContact O-CG1 3.27Å; I193-I197 WeakPolarHBondContact O-CG1 3.4Å; I193-I197 PolarHBondContact O-N 3.12Å; I193-A241 HydrophobicContact CB-CB 4.13Å; I193-A241 HydrophobicContact CG2-CB 3.75Å; I193-I244 HydrophobicContact CD1-CG2 4.06Å; I193-I244 HydrophobicContact CG2-CD1 4.22Å; I193-A245 HydrophobicContact CD1-CB 4.44Å |
| 194 | H | 92.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 21% | 0.213 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58 | -48.8 | 176.3 | 172.3 | 55.2 | 0 | 0 | 0 | 111.7 | E190 T191 V192 I197 Y198 S237 K238 A241 | E190-H194 VanDerWaalsContact O-CB 3.31Å; E190-H194 WeakPolarHBondContact O-CB 3.34Å; E190-H194 PolarHBondContact O-N 3.3Å; T191-H194 PolarHBondContact O-N 3.48Å; V192-H194 VanDerWaalsContact C-N 3.32Å; V192-H194 PolarHBondContact O-N 3.4Å; H194-I197 PolarHBondContact O-N 2.85Å; H194-Y198 WeakPolarHBondContact O-CB 3.23Å; H194-Y198 PolarHBondContact O-N 2.98Å; H194-S237 PolarHBondContact CE1-OG 3Å; H194-S237 PolarHBondContact ND1-OG 2.94Å; H194-K238 WeakPolarHBondContact ND1-CA 3.26Å; H194-K238 PolarHBondContact ND1-N 3.42Å; H194-A241 VanDerWaalsContact CA-CB 3.48Å; H194-A241 HydrophobicContact CB-CB 3.64Å |
| 195 | F | 89.2 | Confident | 90.9 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 40% | 0.395 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 180 | -178.5 | -99.9 | 0 | 0 | 0 | 112.1 | T191 V192 I193 I197 Y198 E199 | T191-F195 WeakPolarHBondContact O-CB 3.31Å; T191-F195 PolarHBondContact O-N 3.49Å; V192-F195 PolarHBondContact O-N 2.93Å; I193-F195 PolarHBondContact O-N 2.88Å; F195-I197 PolarHBondContact O-N 3.22Å; F195-Y198 PolarHBondContact O-N 2.95Å; F195-E199 HydrophobicContact CD1-CG 4.31Å; F195-E199 HydrophobicContact CD2-CG 4.28Å; F195-E199 HydrophobicContact CE1-CG 3.83Å; F195-E199 HydrophobicContact CE2-CG 3.8Å; F195-E199 HydrophobicContact CZ-CG 3.56Å; F195-E199 WeakPolarHBondContact O-CB 3.48Å; F195-E199 PolarHBondContact O-N 3.4Å |
| 196 | V | 92.3 | Very high | 90.4 | Very high | 82 Ų | 82 | 64.6 Ų | 64.6 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 178.8 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | V192 I193 S200 | V192-V196 WeakPolarHBondContact O-CG2 3.06Å; V192-V196 PolarHBondContact O-N 3.03Å; I193-V196 PolarHBondContact O-N 3.12Å; V196-S200 WeakPolarHBondContact O-CB 3.43Å; V196-S200 PolarHBondContact O-N 3.45Å; V196-S200 VanDerWaalsContact O-N 3.09Å; V196-S200 PolarHBondContact O-OG 2.68Å |
| 197 | I | 93.8 | Very high | 90 | Very high | 41 Ų | 41 | 68.9 Ų | 68.9 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 178.4 | -63.3 | 171.6 | 0 | 0 | 0 | 110.3 | I193 H194 F195 S200 I201 C240 I244 | I193-I197 HydrophobicContact CG2-CD1 3.66Å; I193-I197 HydrophobicContact CG2-CG1 4.37Å; I193-I197 VanDerWaalsContact O-CG1 3.27Å; I193-I197 WeakPolarHBondContact O-CG1 3.4Å; I193-I197 PolarHBondContact O-N 3.12Å; H194-I197 PolarHBondContact O-N 2.85Å; F195-I197 PolarHBondContact O-N 3.22Å; I197-S200 PolarHBondContact O-N 3.24Å; I197-I201 HydrophobicContact CG2-CD1 3.74Å; I197-I201 HydrophobicContact CG2-CG1 4.33Å; I197-I201 WeakPolarHBondContact O-CG1 3.32Å; I197-I201 PolarHBondContact O-N 3.45Å; I197-C240 HydrophobicContact CD1-CB 3.99Å; I197-I244 HydrophobicContact CD1-CD1 4.31Å |
| 198 | Y | 92.1 | Very high | 89.5 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 18% | 0.184 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.2 | -50 | 179.8 | 177.6 | -106.7 | 0 | 0 | 0 | 112 | H194 F195 S200 I201 K202 M230 A233 A234 | H194-Y198 WeakPolarHBondContact O-CB 3.23Å; H194-Y198 PolarHBondContact O-N 2.98Å; F195-Y198 PolarHBondContact O-N 2.95Å; Y198-S200 VanDerWaalsContact C-N 3.28Å; Y198-S200 PolarHBondContact O-N 3.21Å; Y198-I201 PolarHBondContact O-N 3.46Å; Y198-K202 HydrophobicContact CE1-CD 3.97Å; Y198-K202 WeakPolarHBondContact O-CB 3.22Å; Y198-K202 PolarHBondContact O-N 2.95Å; Y198-M230 WeakPolarHBondContact OH-CE 3.18Å; Y198-A233 HydrophobicContact CD2-CB 4.41Å; Y198-A233 HydrophobicContact CE2-CB 4.25Å; Y198-A234 HydrophobicContact CD2-CB 4.23Å; Y198-A234 HydrophobicContact CE2-CB 3.9Å |
| 199 | E | 90.8 | Very high | 88.8 | Confident | 58 Ų | 58 | 72.9 Ų | 72.9 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.6 | -36.7 | 176.9 | -77.5 | -61.6 | 143.4 | 0 | 0 | 112 | F195 K202 R203 | F195-E199 HydrophobicContact CD1-CG 4.31Å; F195-E199 HydrophobicContact CD2-CG 4.28Å; F195-E199 HydrophobicContact CE1-CG 3.83Å; F195-E199 HydrophobicContact CE2-CG 3.8Å; F195-E199 HydrophobicContact CZ-CG 3.56Å; F195-E199 WeakPolarHBondContact O-CB 3.48Å; F195-E199 PolarHBondContact O-N 3.4Å; E199-K202 IonicContact OE1-NZ 3.9Å; E199-R203 VanDerWaalsContact O-CB 3.3Å; E199-R203 WeakPolarHBondContact O-CB 3.29Å; E199-R203 PolarHBondContact O-N 2.67Å |
| 200 | S | 92.1 | Very high | 87.9 | Confident | 64 Ų | 64 | 75.3 Ų | 75.3 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | V196 I197 Y198 K204 | V196-S200 WeakPolarHBondContact O-CB 3.43Å; V196-S200 PolarHBondContact O-N 3.45Å; V196-S200 VanDerWaalsContact O-N 3.09Å; V196-S200 PolarHBondContact O-OG 2.68Å; I197-S200 PolarHBondContact O-N 3.24Å; Y198-S200 VanDerWaalsContact C-N 3.28Å; Y198-S200 PolarHBondContact O-N 3.21Å; S200-K204 WeakPolarHBondContact O-CG 3.12Å; S200-K204 PolarHBondContact O-N 3.16Å |
| 201 | I | 92.3 | Very high | 86.7 | Confident | 48 Ų | 48 | 82 Ų | 82 | 25% | 0.246 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -69.6 | -45.7 | 177.7 | -64.7 | 170.6 | 0 | 0 | 0 | 110.2 | I197 Y198 R203 K204 L205 A233 | I197-I201 HydrophobicContact CG2-CD1 3.74Å; I197-I201 HydrophobicContact CG2-CG1 4.33Å; I197-I201 WeakPolarHBondContact O-CG1 3.32Å; I197-I201 PolarHBondContact O-N 3.45Å; Y198-I201 PolarHBondContact O-N 3.46Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 2.83Å; I201-K204 PolarHBondContact O-N 3.44Å; I201-L205 HydrophobicContact CG2-CD1 4.07Å; I201-L205 HydrophobicContact CG2-CG 4.37Å; I201-L205 WeakPolarHBondContact O-CG 3.3Å; I201-L205 PolarHBondContact O-N 3.24Å; I201-A233 HydrophobicContact CB-CB 4.29Å; I201-A233 HydrophobicContact CG2-CB 3.49Å; I201-A233 VanDerWaalsContact CG2-CB 3.49Å |
| 202 | K | 89.1 | Confident | 85.5 | Confident | 60 Ų | 60 | 83.7 Ų | 83.7 | 26% | 0.261 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 178.3 | 178.4 | -177.3 | 175.6 | -170.7 | 0 | 111.5 | Y198 E199 K204 L205 L206 M230 | Y198-K202 HydrophobicContact CE1-CD 3.97Å; Y198-K202 WeakPolarHBondContact O-CB 3.22Å; Y198-K202 PolarHBondContact O-N 2.95Å; E199-K202 IonicContact OE1-NZ 3.9Å; K202-K204 PolarHBondContact O-N 3Å; K202-L205 PolarHBondContact O-N 2.88Å; K202-L206 HydrophobicContact CG-CD1 4.1Å; K202-L206 WeakPolarHBondContact O-CG 3.28Å; K202-L206 PolarHBondContact O-N 3.02Å; K202-M230 HydrophobicContact CD-CE 3.82Å; K202-M230 HydrophobicContact CG-CE 3.85Å; K202-M230 HydrophobicContact CG-SD 4.02Å |
| 203 | R | 90.1 | Very high | 84 | Confident | 158 Ų | 158 | 83.1 Ų | 83.1 | 60% | 0.596 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.1 | -47.5 | 177.2 | -172.8 | -178.7 | -58.9 | -178.4 | 0.6 | 111.8 | E199 I201 L205 L206 E207 | E199-R203 VanDerWaalsContact O-CB 3.3Å; E199-R203 WeakPolarHBondContact O-CB 3.29Å; E199-R203 PolarHBondContact O-N 2.67Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 2.83Å; R203-L205 VanDerWaalsContact C-N 3.33Å; R203-L205 PolarHBondContact O-N 3.46Å; R203-L206 PolarHBondContact O-N 3.48Å; R203-E207 WeakPolarHBondContact CG-OE1 3.31Å; R203-E207 WeakPolarHBondContact O-CG 3.37Å; R203-E207 PolarHBondContact O-N 3.47Å |
| 204 | K | 89.4 | Confident | 82.2 | Confident | 145 Ų | 145 | 88.9 Ų | 88.9 | 63% | 0.63 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61 | -41 | 177 | -71.6 | -178.5 | 177.3 | -171.4 | 0 | 112.5 | S200 I201 K202 L206 E207 S208 | S200-K204 WeakPolarHBondContact O-CG 3.12Å; S200-K204 PolarHBondContact O-N 3.16Å; I201-K204 PolarHBondContact O-N 3.44Å; K202-K204 PolarHBondContact O-N 3Å; K204-L206 VanDerWaalsContact C-N 3.35Å; K204-E207 PolarHBondContact O-N 3.33Å; K204-S208 PolarHBondContact O-N 3.09Å; K204-S208 PolarHBondContact O-OG 3.15Å |
| 205 | L | 86.9 | Confident | 80.5 | Confident | 60 Ų | 60 | 93.6 Ų | 93.6 | 31% | 0.314 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.7 | -72.3 | 174.5 | 0 | 0 | 0 | 111.7 | I201 K202 R203 K209 A233 | I201-L205 HydrophobicContact CG2-CD1 4.07Å; I201-L205 HydrophobicContact CG2-CG 4.37Å; I201-L205 WeakPolarHBondContact O-CG 3.3Å; I201-L205 PolarHBondContact O-N 3.24Å; K202-L205 PolarHBondContact O-N 2.88Å; R203-L205 VanDerWaalsContact C-N 3.33Å; R203-L205 PolarHBondContact O-N 3.46Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.41Å; L205-K209 PolarHBondContact O-N 2.95Å; L205-K209 VanDerWaalsContact O-N 3.11Å; L205-A233 HydrophobicContact CD1-CB 3.82Å |
| 206 | L | 84.3 | Confident | 78.9 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 176.6 | -67.6 | 171 | 0 | 0 | 0 | 112.1 | K202 R203 K204 K209 V210 | K202-L206 HydrophobicContact CG-CD1 4.1Å; K202-L206 WeakPolarHBondContact O-CG 3.28Å; K202-L206 PolarHBondContact O-N 3.02Å; R203-L206 PolarHBondContact O-N 3.48Å; K204-L206 VanDerWaalsContact C-N 3.35Å; L206-K209 HydrophobicContact CD2-CD 4.41Å; L206-K209 WeakPolarHBondContact O-CB 3.3Å; L206-K209 PolarHBondContact O-N 2.9Å; L206-V210 WeakPolarHBondContact O-CG2 3.32Å; L206-V210 PolarHBondContact O-N 3.17Å; L206-V210 VanDerWaalsContact O-N 3.13Å |
| 207 | E | 85 | Confident | 77.1 | Confident | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.6 | -73.4 | 167.8 | -176 | 0 | 0 | 111.9 | R203 K204 K209 V210 H211 | R203-E207 WeakPolarHBondContact CG-OE1 3.31Å; R203-E207 WeakPolarHBondContact O-CG 3.37Å; R203-E207 PolarHBondContact O-N 3.47Å; K204-E207 PolarHBondContact O-N 3.33Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 3.46Å; E207-V210 PolarHBondContact O-N 3.2Å; E207-H211 PolarHBondContact O-N 3.37Å |
| 208 | S | 79.3 | Confident | 75.3 | Confident | 75 Ų | 75 | 105.2 Ų | 105.2 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -30.8 | 174.5 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | K204 H211 N212 | K204-S208 PolarHBondContact O-N 3.09Å; K204-S208 PolarHBondContact O-OG 3.15Å; S208-H211 PolarHBondContact O-N 3.1Å; S208-N212 PolarHBondContact O-N 3Å; S208-N212 VanDerWaalsContact O-N 3.16Å |
| 209 | K | 74.8 | Confident | 73.8 | Confident | 59 Ų | 59 | 111 Ų | 111 | 26% | 0.257 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69 | -42.2 | 175.2 | -74.2 | 173.4 | -169.2 | -167.1 | 0 | 112.8 | L205 L206 E207 H211 N212 S213 D226 | L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.41Å; L205-K209 PolarHBondContact O-N 2.95Å; L205-K209 VanDerWaalsContact O-N 3.11Å; L206-K209 HydrophobicContact CD2-CD 4.41Å; L206-K209 WeakPolarHBondContact O-CB 3.3Å; L206-K209 PolarHBondContact O-N 2.9Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 3.46Å; K209-H211 PolarHBondContact O-N 2.87Å; K209-N212 PolarHBondContact O-N 3.39Å; K209-N212 VanDerWaalsContact O-N 3.11Å; K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.24Å; K209-S213 PolarHBondContact O-OG 3.1Å; K209-D226 WeakPolarHBondContact CE-OD1 2.95Å; K209-D226 IonicContact NZ-OD1 2.86Å; K209-D226 PolarHBondContact NZ-OD1 3.13Å; K209-D226 IonicContact NZ-OD2 2.75Å; K209-D226 PolarHBondContact NZ-OD2 3.39Å |
| 210 | V | 71.4 | Confident | 72.4 | Confident | 105 Ų | 105 | 114.2 Ų | 114.2 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.3 | -32.9 | 176.6 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L206 E207 S213 | L206-V210 WeakPolarHBondContact O-CG2 3.32Å; L206-V210 PolarHBondContact O-N 3.17Å; L206-V210 VanDerWaalsContact O-N 3.13Å; E207-V210 PolarHBondContact O-N 3.2Å; V210-S213 PolarHBondContact O-OG 3.39Å; V210-S213 VanDerWaalsContact O-OG 3.07Å |
| 211 | H | 64.7 | Low | 70.9 | Confident | 160 Ų | 160 | 114.4 Ų | 114.4 | 74% | 0.741 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.5 | -35.3 | 175.4 | -127 | 69.8 | 0 | 0 | 0 | 113.2 | E207 S208 K209 | E207-H211 PolarHBondContact O-N 3.37Å; S208-H211 PolarHBondContact O-N 3.1Å; K209-H211 PolarHBondContact O-N 2.87Å |
| 212 | N | 63.4 | Low | 69.8 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -86.8 | -15.8 | -179.5 | -79.8 | 5 | 0 | 0 | 0 | 114.1 | S208 K209 M214 | S208-N212 PolarHBondContact O-N 3Å; S208-N212 VanDerWaalsContact O-N 3.16Å; K209-N212 PolarHBondContact O-N 3.39Å; K209-N212 VanDerWaalsContact O-N 3.11Å; N212-M214 PolarHBondContact O-N 3.21Å; N212-M214 VanDerWaalsContact O-N 3.13Å |
| 213 | S | 58 | Low | 69 | Low | 77 Ų | 77 | 118.7 Ų | 118.7 | 54% | 0.538 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | 4.6 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | K209 V210 | K209-S213 WeakPolarHBondContact O-CB 3.49Å; K209-S213 PolarHBondContact O-N 3.24Å; K209-S213 PolarHBondContact O-OG 3.1Å; V210-S213 PolarHBondContact O-OG 3.39Å; V210-S213 VanDerWaalsContact O-OG 3.07Å |
| 214 | M | 55.3 | Low | 68.3 | Low | 165 Ų | 165 | 114 Ų | 114 | 81% | 0.813 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -10.3 | 174.2 | -70 | -177.9 | 80.4 | 0 | 0 | 113.8 | N212 | N212-M214 PolarHBondContact O-N 3.21Å; N212-M214 VanDerWaalsContact O-N 3.13Å |
| 215 | D | 56.2 | Low | 67.7 | Low | 146 Ų | 146 | 110.9 Ų | 110.9 | 78% | 0.781 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -127.2 | -1.8 | -165.1 | -77.8 | -36 | 0 | 0 | 0 | 119.9 | ||
| 216 | E | 56.4 | Low | 67.4 | Low | 148 Ų | 148 | 110.7 Ų | 110.7 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | trans | -147.1 | 144.6 | -179.5 | -71.7 | -173.3 | 162.3 | 0 | 0 | 116.4 | K222 | E216-K222 PolarHBondContact O-NZ 2.88Š| ||
| 217 | E | 53.1 | Low | 67.3 | Low | 197 Ų | 197 | 113.6 Ų | 113.6 | 92% | 0.921 | 61% | 0.605 | S | S | * | * | trans | -95.1 | 1.5 | -171.2 | -74.5 | -177.2 | 158.3 | 0 | 0 | 116.5 | E219 | E217-E219 PolarHBondContact O-N 3.29Š| ||
| 218 | D | 57 | Low | 67.4 | Low | 112 Ų | 112 | 111.4 Ų | 111.4 | 60% | 0.599 | 60% | 0.6 | S | S | * | * | trans | -90.7 | 104 | -178.4 | -86.9 | -32 | 0 | 0 | 0 | 113.3 | S221 K222 | D218-S221 WeakPolarHBondContact CB-OG 3.33Å; D218-S221 PolarHBondContact O-OG 3.18Å; D218-K222 WeakPolarHBondContact O-CD 3.39Å; D218-K222 WeakPolarHBondContact O-CG 3.45Å | ||
| 219 | E | 61.2 | Low | 67.8 | Low | 168 Ų | 168 | 108.9 Ų | 108.9 | 79% | 0.785 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.6 | -36 | 179.3 | -70.7 | -169.6 | 149.9 | 0 | 0 | 113.5 | E217 D223 | E217-E219 PolarHBondContact O-N 3.29Å; E219-D223 PolarHBondContact O-N 3.45Å |
| 220 | T | 59.8 | Low | 68.4 | Low | 126 Ų | 126 | 108.3 Ų | 108.3 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.2 | -33.2 | -171.6 | -14.8 | 0 | 0 | 0 | 0 | 114 | ||
| 221 | S | 61.8 | Low | 69.3 | Low | 67 Ų | 67 | 108.4 Ų | 108.4 | 47% | 0.469 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.9 | -30.1 | 177.9 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | D218 S225 | D218-S221 WeakPolarHBondContact CB-OG 3.33Å; D218-S221 PolarHBondContact O-OG 3.18Å; S221-S225 WeakPolarHBondContact O-CB 3.48Å; S221-S225 PolarHBondContact O-N 3.37Å; S221-S225 VanDerWaalsContact O-N 3.15Å |
| 222 | K | 68.3 | Low | 70.5 | Confident | 77 Ų | 77 | 105.6 Ų | 105.6 | 34% | 0.335 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.8 | -42.8 | 175.6 | -72.6 | 177.1 | -175.6 | 175.4 | 0 | 112.3 | E216 D218 A224 S225 D226 | E216-K222 PolarHBondContact O-NZ 2.88Å; D218-K222 WeakPolarHBondContact O-CD 3.39Å; D218-K222 WeakPolarHBondContact O-CG 3.45Å; K222-A224 PolarHBondContact O-N 3.4Å; K222-S225 PolarHBondContact O-N 2.9Å; K222-D226 WeakPolarHBondContact O-CB 3.41Å; K222-D226 PolarHBondContact O-N 3.46Å |
| 223 | D | 73.6 | Confident | 71.8 | Confident | 122 Ų | 122 | 99.7 Ų | 99.7 | 65% | 0.652 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -39.6 | -178.8 | -164.5 | 46.8 | 0 | 0 | 0 | 112.6 | E219 D226 F227 | E219-D223 PolarHBondContact O-N 3.45Å; D223-D226 PolarHBondContact O-N 3.42Å; D223-F227 WeakPolarHBondContact O-CB 3.26Å; D223-F227 PolarHBondContact O-N 2.82Å |
| 224 | A | 73.8 | Confident | 73.4 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.5 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K222 D226 F227 V228 | K222-A224 PolarHBondContact O-N 3.4Å; A224-D226 VanDerWaalsContact C-N 3.28Å; A224-D226 PolarHBondContact O-N 3.17Å; A224-F227 PolarHBondContact O-N 3.46Å; A224-V228 VanDerWaalsContact O-CG2 3.3Å; A224-V228 WeakPolarHBondContact O-CG2 3.38Å; A224-V228 PolarHBondContact O-N 3.14Å |
| 225 | S | 77.1 | Confident | 75.1 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | S221 K222 V228 G229 | S221-S225 WeakPolarHBondContact O-CB 3.48Å; S221-S225 PolarHBondContact O-N 3.37Å; S221-S225 VanDerWaalsContact O-N 3.15Å; K222-S225 PolarHBondContact O-N 2.9Å; S225-V228 PolarHBondContact O-N 3.11Å; S225-G229 PolarHBondContact O-N 3.21Å |
| 226 | D | 80.9 | Confident | 76.9 | Confident | 55 Ų | 55 | 88.7 Ų | 88.7 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 178.6 | -79.8 | -0.9 | 0 | 0 | 0 | 112.2 | K209 K222 D223 A224 G229 M230 | K209-D226 WeakPolarHBondContact CE-OD1 2.95Å; K209-D226 IonicContact NZ-OD1 2.86Å; K209-D226 PolarHBondContact NZ-OD1 3.13Å; K209-D226 IonicContact NZ-OD2 2.75Å; K209-D226 PolarHBondContact NZ-OD2 3.39Å; K222-D226 WeakPolarHBondContact O-CB 3.41Å; K222-D226 PolarHBondContact O-N 3.46Å; D223-D226 PolarHBondContact O-N 3.42Å; A224-D226 VanDerWaalsContact C-N 3.28Å; A224-D226 PolarHBondContact O-N 3.17Å; D226-G229 PolarHBondContact O-N 2.94Å; D226-M230 WeakPolarHBondContact O-CB 3.4Å; D226-M230 VanDerWaalsContact O-CG 3.22Å; D226-M230 WeakPolarHBondContact O-CG 3.34Å; D226-M230 PolarHBondContact O-N 3.21Å |
| 227 | F | 83 | Confident | 78.7 | Confident | 145 Ų | 145 | 81.6 Ų | 81.6 | 64% | 0.636 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.1 | -47 | 174.6 | 179.9 | -99.2 | 0 | 0 | 0 | 111.4 | D223 A224 G229 M230 M231 | D223-F227 WeakPolarHBondContact O-CB 3.26Å; D223-F227 PolarHBondContact O-N 2.82Å; A224-F227 PolarHBondContact O-N 3.46Å; F227-G229 PolarHBondContact O-N 2.9Å; F227-M230 PolarHBondContact O-N 3.34Å; F227-M231 WeakPolarHBondContact O-CB 3.41Å; F227-M231 PolarHBondContact O-N 3.43Å |
| 228 | V | 86.7 | Confident | 80.5 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 42% | 0.424 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | A224 S225 M230 M231 L232 | A224-V228 VanDerWaalsContact O-CG2 3.3Å; A224-V228 WeakPolarHBondContact O-CG2 3.38Å; A224-V228 PolarHBondContact O-N 3.14Å; S225-V228 PolarHBondContact O-N 3.11Å; V228-M230 VanDerWaalsContact C-N 3.35Å; V228-M230 PolarHBondContact O-N 3.41Å; V228-M231 PolarHBondContact O-N 3.24Å; V228-L232 HydrophobicContact CG1-CD1 4.04Å; V228-L232 HydrophobicContact CG1-CG 4.36Å; V228-L232 WeakPolarHBondContact O-CB 3.37Å; V228-L232 WeakPolarHBondContact O-CG 3.22Å; V228-L232 PolarHBondContact O-N 3.36Å |
| 229 | G | 87 | Confident | 82.3 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S225 D226 F227 L232 A233 | S225-G229 PolarHBondContact O-N 3.21Å; D226-G229 PolarHBondContact O-N 2.94Å; F227-G229 PolarHBondContact O-N 2.9Å; G229-L232 PolarHBondContact O-N 3.49Å; G229-A233 WeakPolarHBondContact O-CB 3.3Å; G229-A233 PolarHBondContact O-N 2.91Å |
| 230 | M | 88.2 | Confident | 83.9 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 23% | 0.232 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | 176.2 | -70.4 | -65.8 | -79.6 | 0 | 0 | 112.4 | Y198 K202 D226 F227 V228 A233 A234 | Y198-M230 WeakPolarHBondContact OH-CE 3.18Å; K202-M230 HydrophobicContact CD-CE 3.82Å; K202-M230 HydrophobicContact CG-CE 3.85Å; K202-M230 HydrophobicContact CG-SD 4.02Å; D226-M230 WeakPolarHBondContact O-CB 3.4Å; D226-M230 VanDerWaalsContact O-CG 3.22Å; D226-M230 WeakPolarHBondContact O-CG 3.34Å; D226-M230 PolarHBondContact O-N 3.21Å; F227-M230 PolarHBondContact O-N 3.34Å; V228-M230 VanDerWaalsContact C-N 3.35Å; V228-M230 PolarHBondContact O-N 3.41Å; M230-A233 PolarHBondContact O-N 2.89Å; M230-A234 WeakPolarHBondContact O-CB 3.42Å; M230-A234 PolarHBondContact O-N 3.47Å |
| 231 | M | 89.6 | Confident | 85.5 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 52% | 0.522 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 174.8 | -170.1 | 178.7 | 71.2 | 0 | 0 | 111.5 | F227 V228 A234 A235 | F227-M231 WeakPolarHBondContact O-CB 3.41Å; F227-M231 PolarHBondContact O-N 3.43Å; V228-M231 PolarHBondContact O-N 3.24Å; M231-A234 PolarHBondContact O-N 2.93Å; M231-A235 WeakPolarHBondContact O-CB 3.45Å; M231-A235 PolarHBondContact O-N 2.83Å |
| 232 | L | 90.5 | Very high | 87.1 | Confident | 102 Ų | 102 | 58.2 Ų | 58.2 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.5 | -71.9 | 174.5 | 0 | 0 | 0 | 111.7 | V228 G229 A235 T236 | V228-L232 HydrophobicContact CG1-CD1 4.04Å; V228-L232 HydrophobicContact CG1-CG 4.36Å; V228-L232 WeakPolarHBondContact O-CB 3.37Å; V228-L232 WeakPolarHBondContact O-CG 3.22Å; V228-L232 PolarHBondContact O-N 3.36Å; G229-L232 PolarHBondContact O-N 3.49Å; L232-A235 PolarHBondContact O-N 2.89Å; L232-T236 WeakPolarHBondContact O-CB 3.46Å; L232-T236 WeakPolarHBondContact O-CG2 3.43Å; L232-T236 PolarHBondContact O-N 2.68Å; L232-T236 PolarHBondContact O-OG1 3.31Å |
| 233 | A | 90.9 | Very high | 88.3 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 2% | 0.017 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y198 I201 L205 G229 M230 T236 S237 | Y198-A233 HydrophobicContact CD2-CB 4.41Å; Y198-A233 HydrophobicContact CE2-CB 4.25Å; I201-A233 HydrophobicContact CB-CB 4.29Å; I201-A233 HydrophobicContact CG2-CB 3.49Å; I201-A233 VanDerWaalsContact CG2-CB 3.49Å; L205-A233 HydrophobicContact CD1-CB 3.82Å; G229-A233 WeakPolarHBondContact O-CB 3.3Å; G229-A233 PolarHBondContact O-N 2.91Å; M230-A233 PolarHBondContact O-N 2.89Å; A233-T236 WeakPolarHBondContact CA-OG1 3.42Å; A233-T236 PolarHBondContact O-OG1 2.98Å; A233-S237 WeakPolarHBondContact O-CB 3.27Å; A233-S237 PolarHBondContact O-N 3.03Å; A233-S237 PolarHBondContact O-OG 3.47Å |
| 234 | A | 90.6 | Very high | 89.3 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y198 M230 M231 S237 K238 | Y198-A234 HydrophobicContact CD2-CB 4.23Å; Y198-A234 HydrophobicContact CE2-CB 3.9Å; M230-A234 WeakPolarHBondContact O-CB 3.42Å; M230-A234 PolarHBondContact O-N 3.47Å; M231-A234 PolarHBondContact O-N 2.93Å; A234-S237 WeakPolarHBondContact CA-OG 3.38Å; A234-S237 PolarHBondContact O-OG 2.97Å; A234-K238 WeakPolarHBondContact O-CB 3.46Å; A234-K238 PolarHBondContact O-N 2.93Å |
| 235 | A | 91.5 | Very high | 90.3 | Very high | 53 Ų | 53 | 53 Ų | 53 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -45.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M231 L232 K238 T239 | M231-A235 WeakPolarHBondContact O-CB 3.45Å; M231-A235 PolarHBondContact O-N 2.83Å; L232-A235 PolarHBondContact O-N 2.89Å; A235-K238 PolarHBondContact O-N 3.32Å; A235-T239 WeakPolarHBondContact O-CB 3.31Å; A235-T239 PolarHBondContact O-N 3.45Å; A235-T239 PolarHBondContact O-OG1 2.89Å |
| 236 | T | 93.1 | Very high | 91.2 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66 | -49.3 | 178 | 45.3 | 0 | 0 | 0 | 0 | 111.4 | L232 A233 K238 T239 C240 | L232-T236 WeakPolarHBondContact O-CB 3.46Å; L232-T236 WeakPolarHBondContact O-CG2 3.43Å; L232-T236 PolarHBondContact O-N 2.68Å; L232-T236 PolarHBondContact O-OG1 3.31Å; A233-T236 WeakPolarHBondContact CA-OG1 3.42Å; A233-T236 PolarHBondContact O-OG1 2.98Å; T236-K238 VanDerWaalsContact C-N 3.31Å; T236-K238 PolarHBondContact O-N 3.01Å; T236-T239 PolarHBondContact O-N 3.16Å; T236-C240 WeakPolarHBondContact O-CB 3.21Å; T236-C240 PolarHBondContact O-N 3.46Å; T236-C240 PolarHBondContact O-SG 3.41Å; T236-C240 VanDerWaalsContact O-SG 3.34Å |
| 237 | S | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.3 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | H194 A233 A234 A241 | H194-S237 PolarHBondContact CE1-OG 3Å; H194-S237 PolarHBondContact ND1-OG 2.94Å; A233-S237 WeakPolarHBondContact O-CB 3.27Å; A233-S237 PolarHBondContact O-N 3.03Å; A233-S237 PolarHBondContact O-OG 3.47Å; A234-S237 WeakPolarHBondContact CA-OG 3.38Å; A234-S237 PolarHBondContact O-OG 2.97Å; S237-A241 VanDerWaalsContact O-CB 3.23Å; S237-A241 WeakPolarHBondContact O-CB 3.2Å; S237-A241 PolarHBondContact O-N 2.9Å |
| 238 | K | 92.6 | Very high | 92.5 | Very high | 61 Ų | 61 | 41.1 Ų | 41.1 | 27% | 0.265 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 177.4 | -175.9 | 57.3 | 173.8 | 168.3 | 0 | 111.7 | E190 H194 A234 A235 T236 T242 | E190-K238 IonicContact OE1-NZ 3.69Å; E190-K238 PolarHBondContact OE1-NZ 3.37Å; H194-K238 WeakPolarHBondContact ND1-CA 3.26Å; H194-K238 PolarHBondContact ND1-N 3.42Å; A234-K238 WeakPolarHBondContact O-CB 3.46Å; A234-K238 PolarHBondContact O-N 2.93Å; A235-K238 PolarHBondContact O-N 3.32Å; T236-K238 VanDerWaalsContact C-N 3.31Å; T236-K238 PolarHBondContact O-N 3.01Å; K238-T242 VanDerWaalsContact O-CB 3.24Å; K238-T242 WeakPolarHBondContact O-CB 3.33Å; K238-T242 PolarHBondContact O-N 3.43Å; K238-T242 PolarHBondContact O-OG1 3.44Å |
| 239 | T | 94.1 | Very high | 92.8 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 34% | 0.344 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 178.2 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | A235 T236 S243 L289 | A235-T239 WeakPolarHBondContact O-CB 3.31Å; A235-T239 PolarHBondContact O-N 3.45Å; A235-T239 PolarHBondContact O-OG1 2.89Å; T236-T239 PolarHBondContact O-N 3.16Å; T239-S243 WeakPolarHBondContact O-CB 3.33Å; T239-S243 PolarHBondContact O-N 2.89Å; T239-S243 PolarHBondContact O-OG 3.41Å; T239-L289 HydrophobicContact CG2-CD1 4.3Å; T239-L289 HydrophobicContact CG2-CD2 4.13Å |
| 240 | C | 94.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 42% | 0.419 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | I197 T236 T242 S243 I244 | I197-C240 HydrophobicContact CD1-CB 3.99Å; T236-C240 WeakPolarHBondContact O-CB 3.21Å; T236-C240 PolarHBondContact O-N 3.46Å; T236-C240 PolarHBondContact O-SG 3.41Å; T236-C240 VanDerWaalsContact O-SG 3.34Å; C240-T242 PolarHBondContact O-N 3.07Å; C240-S243 PolarHBondContact O-N 3.38Å; C240-I244 WeakPolarHBondContact O-CG1 3.31Å; C240-I244 PolarHBondContact O-N 3.09Å |
| 241 | A | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I193 H194 S237 S243 I244 A245 | I193-A241 HydrophobicContact CB-CB 4.13Å; I193-A241 HydrophobicContact CG2-CB 3.75Å; H194-A241 VanDerWaalsContact CA-CB 3.48Å; H194-A241 HydrophobicContact CB-CB 3.64Å; S237-A241 VanDerWaalsContact O-CB 3.23Å; S237-A241 WeakPolarHBondContact O-CB 3.2Å; S237-A241 PolarHBondContact O-N 2.9Å; A241-S243 VanDerWaalsContact C-N 3.31Å; A241-S243 PolarHBondContact O-N 3.37Å; A241-I244 PolarHBondContact O-N 3.05Å; A241-A245 WeakPolarHBondContact O-CB 3.42Å; A241-A245 PolarHBondContact O-N 3.11Å |
| 242 | T | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 175.3 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | E190 K238 C240 A245 Y246 L285 H288 L289 | E190-T242 PolarHBondContact OE1-OG1 3.44Å; K238-T242 VanDerWaalsContact O-CB 3.24Å; K238-T242 WeakPolarHBondContact O-CB 3.33Å; K238-T242 PolarHBondContact O-N 3.43Å; K238-T242 PolarHBondContact O-OG1 3.44Å; C240-T242 PolarHBondContact O-N 3.07Å; T242-A245 PolarHBondContact O-N 2.65Å; T242-Y246 HydrophobicContact CG2-CD2 4.4Å; T242-Y246 WeakPolarHBondContact O-CA 3.38Å; T242-Y246 WeakPolarHBondContact O-CB 3.48Å; T242-Y246 PolarHBondContact O-N 3.35Å; T242-L285 HydrophobicContact CG2-CD1 4.3Å; T242-H288 VanDerWaalsContact CG2-CD2 3.41Å; T242-H288 WeakPolarHBondContact CG2-CD2 3.4Å; T242-L289 HydrophobicContact CG2-CD2 4.23Å |
| 243 | S | 94.6 | Very high | 94 | Very high | 36 Ų | 36 | 28 Ų | 28 | 25% | 0.252 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.1 | -43.1 | -179.7 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | T239 C240 A241 Y282 | T239-S243 WeakPolarHBondContact O-CB 3.33Å; T239-S243 PolarHBondContact O-N 2.89Å; T239-S243 PolarHBondContact O-OG 3.41Å; C240-S243 PolarHBondContact O-N 3.38Å; A241-S243 VanDerWaalsContact C-N 3.31Å; A241-S243 PolarHBondContact O-N 3.37Å; S243-Y282 WeakPolarHBondContact O-CE1 3.17Å |
| 244 | I | 94.9 | Very high | 94.1 | Very high | 104 Ų | 104 | 28 Ų | 28 | 53% | 0.533 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.5 | -44.9 | 178.3 | -66.8 | 164.8 | 0 | 0 | 0 | 110.9 | I193 I197 C240 A241 | I193-I244 HydrophobicContact CD1-CG2 4.06Å; I193-I244 HydrophobicContact CG2-CD1 4.22Å; I197-I244 HydrophobicContact CD1-CD1 4.31Å; C240-I244 WeakPolarHBondContact O-CG1 3.31Å; C240-I244 PolarHBondContact O-N 3.09Å; A241-I244 PolarHBondContact O-N 3.05Å |
| 245 | A | 94.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 7% | 0.066 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -80.6 | -16.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E190 I193 A241 T242 P247 H248 | E190-A245 HydrophobicContact CB-CB 3.65Å; E190-A245 HydrophobicContact CG-CB 3.82Å; I193-A245 HydrophobicContact CD1-CB 4.44Å; A241-A245 WeakPolarHBondContact O-CB 3.42Å; A241-A245 PolarHBondContact O-N 3.11Å; T242-A245 PolarHBondContact O-N 2.65Å; A245-P247 VanDerWaalsContact C-N 3.31Å; A245-P247 VanDerWaalsContact O-CD 3.29Å; A245-P247 WeakPolarHBondContact O-CD 3.42Å; A245-H248 PolarHBondContact O-N 3.34Å; A245-H248 PolarHBondContact O-ND1 3.43Å |
| 246 | Y | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -35.7 | -168.7 | -161.9 | -100.5 | 0 | 0 | 0 | 116.7 | Q36 T242 H248 E249 V250 L281 Y282 R283 G284 L285 H288 | Q36-Y246 PolarHBondContact NE2-OH 3.42Å; T242-Y246 HydrophobicContact CG2-CD2 4.4Å; T242-Y246 WeakPolarHBondContact O-CA 3.38Å; T242-Y246 WeakPolarHBondContact O-CB 3.48Å; T242-Y246 PolarHBondContact O-N 3.35Å; Y246-H248 PolarHBondContact O-N 2.89Å; Y246-E249 HydrophobicContact CD2-CG 4.45Å; Y246-E249 HydrophobicContact CE2-CB 4.47Å; Y246-E249 WeakPolarHBondContact CE2-OE2 3.47Å; Y246-E249 WeakPolarHBondContact O-CB 3.24Å; Y246-E249 PolarHBondContact O-N 2.98Å; Y246-V250 HydrophobicContact CD1-CG2 4.04Å; Y246-V250 HydrophobicContact CE1-CG2 3.56Å; Y246-V250 PolarHBondContact O-N 3.22Å; Y246-L281 VanDerWaalsContact CD1-O 3.3Å; Y246-L281 WeakPolarHBondContact CD1-O 3.43Å; Y246-Y282 HydrophobicContact CD1-CD1 4.14Å; Y246-R283 VanDerWaalsContact CE1-O 3.31Å; Y246-R283 WeakPolarHBondContact CE1-O 3.48Å; Y246-R283 PolarHBondContact OH-O 2.98Å; Y246-G284 WeakPolarHBondContact OH-CA 3.27Å; Y246-G284 PolarHBondContact OH-O 3.24Å; Y246-L285 HydrophobicContact CD1-CB 4.06Å; Y246-L285 HydrophobicContact CD1-CD1 4.46Å; Y246-L285 HydrophobicContact CD2-CB 4.27Å; Y246-L285 HydrophobicContact CD2-CD1 3.45Å; Y246-L285 VanDerWaalsContact CD2-CD1 3.45Å; Y246-L285 HydrophobicContact CD2-CG 4.41Å; Y246-L285 HydrophobicContact CE1-CB 3.81Å; Y246-L285 HydrophobicContact CE2-CB 4.01Å; Y246-L285 HydrophobicContact CE2-CD1 3.78Å; Y246-L285 HydrophobicContact CG-CB 4.28Å; Y246-L285 HydrophobicContact CG-CD1 3.83Å; Y246-L285 HydrophobicContact CG-CG 4.49Å; Y246-L285 VanDerWaalsContact CZ-CA 3.43Å; Y246-L285 PolarHBondContact OH-N 2.91Å; Y246-H288 HydrophobicContact CE2-CB 4.09Å |
| 247 | P | 95.6 | Very high | 94.2 | Very high | 21 Ų | 21 | 22.1 Ų | 22.1 | 14% | 0.136 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -50.7 | -33.6 | 176.5 | -31.1 | 37.9 | 0 | 0 | 0 | 114 | A245 E249 V250 I251 L269 L281 | A245-P247 VanDerWaalsContact C-N 3.31Å; A245-P247 VanDerWaalsContact O-CD 3.29Å; A245-P247 WeakPolarHBondContact O-CD 3.42Å; P247-E249 VanDerWaalsContact C-N 3.27Å; P247-E249 PolarHBondContact O-N 3.48Å; P247-V250 PolarHBondContact O-N 3.22Å; P247-I251 VanDerWaalsContact O-CD1 3.3Å; P247-I251 WeakPolarHBondContact O-CD1 3.27Å; P247-I251 VanDerWaalsContact O-CG1 3.24Å; P247-I251 WeakPolarHBondContact O-CG1 3.32Å; P247-I251 PolarHBondContact O-N 2.65Å; P247-L269 HydrophobicContact CB-CD1 4.48Å; P247-L281 HydrophobicContact CB-CB 4.3Å; P247-L281 HydrophobicContact CB-CD1 4.35Å; P247-L281 HydrophobicContact CB-CD2 4.33Å; P247-L281 HydrophobicContact CG-CB 4.34Å |
| 248 | H | 94.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.8 | -33 | 178.1 | 88.4 | -96.3 | 0 | 0 | 0 | 112.4 | A183 A186 G187 E190 A245 Y246 R252 F265 | A183-H248 PolarHBondContact O-CD2 3.4Å; A183-H248 VanDerWaalsContact O-CD2 3.3Å; A186-H248 HydrophobicContact CB-CB 3.88Å; G187-H248 VanDerWaalsContact CA-NE2 3.29Å; G187-H248 WeakPolarHBondContact CA-NE2 3.38Å; E190-H248 IonicContact OE2-CE1 2.96Å; E190-H248 PolarHBondContact OE2-CE1 3.24Å; A245-H248 PolarHBondContact O-N 3.34Å; A245-H248 PolarHBondContact O-ND1 3.43Å; Y246-H248 PolarHBondContact O-N 2.89Å; H248-R252 PolarHBondContact CD2-NH2 3.02Å; H248-R252 PolarHBondContact NE2-NH2 2.93Å; H248-R252 VanDerWaalsContact O-CB 3.27Å; H248-R252 WeakPolarHBondContact O-CB 3.3Å; H248-R252 PolarHBondContact O-N 2.98Å; H248-F265 HydrophobicContact CB-CE2 4.25Å; H248-F265 HydrophobicContact CB-CZ 4.47Å |
| 249 | E | 94.5 | Very high | 93.3 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70 | -44.1 | 178.8 | -66.8 | -156.4 | 139.6 | 0 | 0 | 111.5 | K32 Q36 Y246 P247 R252 T253 H288 | K32-E249 WeakPolarHBondContact CE-OE2 3.09Å; K32-E249 IonicContact NZ-OE1 2.67Å; K32-E249 PolarHBondContact NZ-OE1 3.42Å; K32-E249 IonicContact NZ-OE2 3.84Å; K32-E249 PolarHBondContact NZ-OE2 3.22Å; Q36-E249 PolarHBondContact NE2-OE2 3.45Å; Y246-E249 HydrophobicContact CD2-CG 4.45Å; Y246-E249 HydrophobicContact CE2-CB 4.47Å; Y246-E249 WeakPolarHBondContact CE2-OE2 3.47Å; Y246-E249 WeakPolarHBondContact O-CB 3.24Å; Y246-E249 PolarHBondContact O-N 2.98Å; P247-E249 VanDerWaalsContact C-N 3.27Å; P247-E249 PolarHBondContact O-N 3.48Å; E249-R252 WeakPolarHBondContact O-CB 3.2Å; E249-R252 PolarHBondContact O-N 3.46Å; E249-T253 PolarHBondContact O-N 3.19Å; E249-T253 PolarHBondContact O-OG1 2.96Å; E249-H288 IonicContact OE1-NE2 3.98Å |
| 250 | V | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | Q36 Y246 P247 R252 T253 R254 L281 | Q36-V250 HydrophobicContact CG-CG2 4.2Å; Y246-V250 HydrophobicContact CD1-CG2 4.04Å; Y246-V250 HydrophobicContact CE1-CG2 3.56Å; Y246-V250 PolarHBondContact O-N 3.22Å; P247-V250 PolarHBondContact O-N 3.22Å; V250-R252 VanDerWaalsContact C-N 3.27Å; V250-R252 PolarHBondContact O-N 2.95Å; V250-T253 PolarHBondContact O-N 3.44Å; V250-T253 VanDerWaalsContact O-N 3.14Å; V250-R254 HydrophobicContact CG1-CG 4.23Å; V250-R254 VanDerWaalsContact O-CG 3.27Å; V250-R254 WeakPolarHBondContact O-CG 3.23Å; V250-R254 PolarHBondContact O-N 2.79Å; V250-L281 WeakPolarHBondContact CG2-O 3.44Å |
| 251 | I | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60 | -39.3 | 178.2 | -65.2 | 160 | 0 | 0 | 0 | 111.2 | A183 P247 T253 R254 L255 F265 T268 L269 L281 | A183-I251 HydrophobicContact CB-CG2 4.18Å; P247-I251 VanDerWaalsContact O-CD1 3.3Å; P247-I251 WeakPolarHBondContact O-CD1 3.27Å; P247-I251 VanDerWaalsContact O-CG1 3.24Å; P247-I251 WeakPolarHBondContact O-CG1 3.32Å; P247-I251 PolarHBondContact O-N 2.65Å; I251-T253 PolarHBondContact O-N 2.88Å; I251-R254 PolarHBondContact O-N 3.39Å; I251-L255 HydrophobicContact CG2-CD1 3.71Å; I251-L255 HydrophobicContact CG2-CG 4.13Å; I251-L255 WeakPolarHBondContact O-CB 2.97Å; I251-L255 VanDerWaalsContact O-CG 3.31Å; I251-L255 WeakPolarHBondContact O-CG 3.24Å; I251-L255 PolarHBondContact O-N 3.39Å; I251-F265 HydrophobicContact CB-CD2 4.29Å; I251-F265 HydrophobicContact CB-CE2 4.15Å; I251-F265 HydrophobicContact CD1-CD2 4.34Å; I251-F265 HydrophobicContact CD1-CE2 3.79Å; I251-F265 HydrophobicContact CD1-CZ 3.95Å; I251-F265 HydrophobicContact CG2-CD2 3.52Å; I251-F265 HydrophobicContact CG2-CE2 3.88Å; I251-F265 HydrophobicContact CG2-CG 4.32Å; I251-T268 HydrophobicContact CB-CG2 4.32Å; I251-T268 HydrophobicContact CG1-CG2 4.16Å; I251-T268 HydrophobicContact CG2-CG2 3.86Å; I251-L269 HydrophobicContact CD1-CB 3.64Å; I251-L269 HydrophobicContact CD1-CD1 3.55Å; I251-L269 HydrophobicContact CD1-CG 4.11Å; I251-L281 HydrophobicContact CG1-CD2 4.46Å |
| 252 | R | 95.4 | Very high | 92.1 | Very high | 48 Ų | 48 | 29 Ų | 29 | 18% | 0.181 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 175.7 | -173 | -173.3 | -61.7 | 151.8 | -1 | 111.2 | A183 S184 H248 E249 V250 L255 R256 | A183-R252 VanDerWaalsContact CB-CA 3.47Å; A183-R252 HydrophobicContact CB-CB 3.58Å; A183-R252 HydrophobicContact CB-CG 4.16Å; A183-R252 PolarHBondContact O-NE 2.76Å; A183-R252 PolarHBondContact O-NH2 2.64Å; S184-R252 PolarHBondContact OG-NE 2.86Å; H248-R252 PolarHBondContact CD2-NH2 3.02Å; H248-R252 PolarHBondContact NE2-NH2 2.93Å; H248-R252 VanDerWaalsContact O-CB 3.27Å; H248-R252 WeakPolarHBondContact O-CB 3.3Å; H248-R252 PolarHBondContact O-N 2.98Å; E249-R252 WeakPolarHBondContact O-CB 3.2Å; E249-R252 PolarHBondContact O-N 3.46Å; V250-R252 VanDerWaalsContact C-N 3.27Å; V250-R252 PolarHBondContact O-N 2.95Å; R252-L255 PolarHBondContact O-N 2.86Å; R252-R256 VanDerWaalsContact O-CG 3.28Å; R252-R256 WeakPolarHBondContact O-CG 3.38Å; R252-R256 PolarHBondContact O-N 2.77Å |
| 253 | T | 94.1 | Very high | 91.8 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | T33 Q36 T145 L149 E249 V250 I251 L255 R256 E257 | T33-T253 HydrophobicContact CG2-CG2 3.96Å; Q36-T253 HydrophobicContact CB-CG2 3.86Å; Q36-T253 PolarHBondContact OE1-OG1 3.49Å; T145-T253 HydrophobicContact CG2-CG2 4.34Å; L149-T253 HydrophobicContact CD1-CG2 4.15Å; L149-T253 HydrophobicContact CD2-CG2 4.01Å; E249-T253 PolarHBondContact O-N 3.19Å; E249-T253 PolarHBondContact O-OG1 2.96Å; V250-T253 PolarHBondContact O-N 3.44Å; V250-T253 VanDerWaalsContact O-N 3.14Å; I251-T253 PolarHBondContact O-N 2.88Å; T253-L255 PolarHBondContact O-N 3.42Å; T253-R256 PolarHBondContact O-N 3.44Å; T253-R256 VanDerWaalsContact O-N 3.11Å; T253-E257 PolarHBondContact O-N 3.43Å |
| 254 | R | 92.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.8 | -63.7 | -63.9 | 180 | 115.1 | -3.8 | 113.7 | Q36 S37 V250 I251 R256 E257 Y262 T268 E276 | Q36-R254 PolarHBondContact O-NE 2.93Å; S37-R254 VanDerWaalsContact C-NH2 3.32Å; S37-R254 PolarHBondContact O-NH2 3.49Å; V250-R254 HydrophobicContact CG1-CG 4.23Å; V250-R254 VanDerWaalsContact O-CG 3.27Å; V250-R254 WeakPolarHBondContact O-CG 3.23Å; V250-R254 PolarHBondContact O-N 2.79Å; I251-R254 PolarHBondContact O-N 3.39Å; R254-R256 PolarHBondContact O-N 2.91Å; R254-E257 WeakPolarHBondContact CD-OE1 3.47Å; R254-E257 WeakPolarHBondContact CD-OE2 3.24Å; R254-E257 IonicContact NE-OE1 2.9Å; R254-E257 WeakPolarHBondContact O-CB 3.26Å; R254-E257 PolarHBondContact O-N 3.42Å; R254-Y262 HydrophobicContact CB-CD2 3.86Å; R254-Y262 HydrophobicContact CB-CE2 4.03Å; R254-Y262 HydrophobicContact CB-CG 4.18Å; R254-Y262 HydrophobicContact CG-CE2 4.38Å; R254-Y262 PolarHBondContact NH1-OH 3.01Å; R254-Y262 WeakPolarHBondContact O-CD2 3.27Å; R254-T268 HydrophobicContact CB-CG2 4.03Å; R254-E276 IonicContact CZ-OE1 3.31Å; R254-E276 IonicContact CZ-OE2 3.68Å; R254-E276 VanDerWaalsContact NH1-CD 3.33Å; R254-E276 IonicContact NH1-OE1 3.83Å; R254-E276 PolarHBondContact NH1-OE1 3.02Å; R254-E276 IonicContact NH1-OE2 3.83Å; R254-E276 PolarHBondContact NH1-OE2 3.36Å; R254-E276 IonicContact NH2-OE1 3.5Å; R254-E276 IonicContact NH2-OE2 2.71Å; R254-E276 PolarHBondContact NH2-OE2 3Å |
| 255 | L | 94 | Very high | 91.6 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.3 | -24.8 | 176.1 | -76 | 171 | 0 | 0 | 0 | 112.9 | A183 I251 R252 T253 | A183-L255 HydrophobicContact CB-CD1 4.12Å; I251-L255 HydrophobicContact CG2-CD1 3.71Å; I251-L255 HydrophobicContact CG2-CG 4.13Å; I251-L255 WeakPolarHBondContact O-CB 2.97Å; I251-L255 VanDerWaalsContact O-CG 3.31Å; I251-L255 WeakPolarHBondContact O-CG 3.24Å; I251-L255 PolarHBondContact O-N 3.39Å; R252-L255 PolarHBondContact O-N 2.86Å; T253-L255 PolarHBondContact O-N 3.42Å |
| 256 | R | 94.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 6% | 0.06 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -87.6 | -13.3 | 179.4 | -71.8 | -178.4 | 175.5 | 169.7 | 2.6 | 113.3 | N138 L142 T145 R146 S184 R252 T253 R254 | N138-R256 PolarHBondContact OD1-NH2 3.05Å; L142-R256 HydrophobicContact CD1-CB 3.73Å; L142-R256 HydrophobicContact CD1-CG 3.59Å; T145-R256 HydrophobicContact CG2-CB 3.74Å; T145-R256 PolarHBondContact OG1-NH1 3.48Å; R146-R256 VanDerWaalsContact CG-O 3.23Å; R146-R256 WeakPolarHBondContact CG-O 3.15Å; R146-R256 PolarHBondContact NE-O 3.07Å; R146-R256 VanDerWaalsContact NE-O 3.13Å; S184-R256 PolarHBondContact OG-NH2 3.29Å; R252-R256 VanDerWaalsContact O-CG 3.28Å; R252-R256 WeakPolarHBondContact O-CG 3.38Å; R252-R256 PolarHBondContact O-N 2.77Å; T253-R256 PolarHBondContact O-N 3.44Å; T253-R256 VanDerWaalsContact O-N 3.11Å; R254-R256 PolarHBondContact O-N 2.91Å |
| 257 | E | 90.4 | Very high | 91.6 | Very high | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -56.6 | 151.2 | 172.9 | -75.5 | 169.2 | 179.1 | 0 | 0 | 112.1 | S37 S38 L149 T253 R254 | S37-E257 VanDerWaalsContact C-OE1 3.31Å; S37-E257 WeakPolarHBondContact CA-OE1 3.29Å; S37-E257 WeakPolarHBondContact CB-OE1 3.47Å; S38-E257 VanDerWaalsContact CB-OE2 3.31Å; S38-E257 WeakPolarHBondContact CB-OE2 3.47Å; S38-E257 PolarHBondContact N-OE1 2.94Å; S38-E257 PolarHBondContact OG-OE2 3.46Å; L149-E257 HydrophobicContact CD1-CG 3.62Å; T253-E257 PolarHBondContact O-N 3.43Å; R254-E257 WeakPolarHBondContact CD-OE1 3.47Å; R254-E257 WeakPolarHBondContact CD-OE2 3.24Å; R254-E257 IonicContact NE-OE1 2.9Å; R254-E257 WeakPolarHBondContact O-CB 3.26Å; R254-E257 PolarHBondContact O-N 3.42Å |
| 258 | E | 83.7 | Confident | 91.6 | Very high | 84 Ų | 84 | 45 Ų | 45 | 39% | 0.393 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -72.1 | 131.3 | 168.7 | -61.5 | -164.2 | 158.9 | 0 | 0 | 109.2 | R146 R167 | R146-E258 IonicContact NH1-OE1 3.22Å; R167-E258 IonicContact CZ-OE2 3.24Å; R167-E258 VanDerWaalsContact CZ-OE2 3.31Å; R167-E258 IonicContact NE-OE2 3.19Å; R167-E258 IonicContact NH1-OE1 2.71Å; R167-E258 IonicContact NH1-OE2 2.95Å; R167-E258 PolarHBondContact NH1-OE2 2.98Å; R167-E258 IonicContact NH2-OE2 3.94Å |
| 259 | G | 84.1 | Confident | 91.6 | Very high | 48 Ų | 48 | 47 Ų | 47 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 139.2 | -180 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R179 | R179-G259 PolarHBondContact NH1-O 3.44Š|
| 260 | S | 80.4 | Confident | 91.5 | Very high | 84 Ų | 84 | 50.5 Ų | 50.5 | 59% | 0.587 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -115.7 | -4 | -175.8 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | R263 | S260-R263 WeakPolarHBondContact O-CG 3.48Å; S260-R263 PolarHBondContact O-NE 3.13Å |
| 261 | K | 87.3 | Confident | 91.4 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -64.4 | -47.7 | -175.2 | -174.1 | 176.8 | -178.2 | -178.6 | 0 | 112.5 | E275 | K261-E275 WeakPolarHBondContact CE-OE2 3.37Å; K261-E275 IonicContact NZ-OE2 2.71Å; K261-E275 PolarHBondContact NZ-OE2 3.49Å |
| 262 | Y | 89.7 | Confident | 91.2 | Very high | 12 Ų | 12 | 51.8 Ų | 51.8 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | trans | -103.2 | 109.7 | -177.3 | -55.2 | -62.5 | 0 | 0 | 0 | 109.9 | R254 T268 T271 V272 E276 | R254-Y262 HydrophobicContact CB-CD2 3.86Å; R254-Y262 HydrophobicContact CB-CE2 4.03Å; R254-Y262 HydrophobicContact CB-CG 4.18Å; R254-Y262 HydrophobicContact CG-CE2 4.38Å; R254-Y262 PolarHBondContact NH1-OH 3.01Å; R254-Y262 WeakPolarHBondContact O-CD2 3.27Å; Y262-T268 HydrophobicContact CD1-CG2 3.48Å; Y262-T268 VanDerWaalsContact CD1-CG2 3.48Å; Y262-T268 HydrophobicContact CE1-CG2 3.99Å; Y262-T268 HydrophobicContact CG-CG2 4.02Å; Y262-T271 HydrophobicContact CE1-CG2 4.32Å; Y262-V272 HydrophobicContact CE1-CG2 3.95Å; Y262-E276 PolarHBondContact OH-OE1 2.88Å | ||
| 263 | R | 87.7 | Confident | 91 | Very high | 195 Ų | 195 | 50.5 Ų | 50.5 | 74% | 0.736 | 26% | 0.259 | S | S | * | . | trans | -110.8 | -37.3 | -178 | -57.7 | -175 | 177.7 | -167.8 | -2.1 | 113.6 | S260 Q267 | S260-R263 WeakPolarHBondContact O-CG 3.48Å; S260-R263 PolarHBondContact O-NE 3.13Å; R263-Q267 VanDerWaalsContact N-OE1 3.14Å | ||
| 264 | S | 92.3 | Very high | 90.8 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -132 | 161.2 | -178.3 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | Q267 T268 | S264-Q267 WeakPolarHBondContact OG-CB 3.37Å; S264-Q267 PolarHBondContact OG-N 3.33Å; S264-T268 VanDerWaalsContact O-CB 3.32Å; S264-T268 WeakPolarHBondContact O-CB 3.37Å; S264-T268 PolarHBondContact O-N 3.32Å; S264-T268 PolarHBondContact O-OG1 2.96Å |
| 265 | F | 94.1 | Very high | 90.6 | Very high | 32 Ų | 32 | 64.9 Ų | 64.9 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -55.6 | -178.3 | -178.2 | -97.3 | 0 | 0 | 0 | 112 | A183 A186 H248 I251 Q267 T268 L269 | A183-F265 HydrophobicContact CB-CD2 3.72Å; A183-F265 HydrophobicContact CB-CE2 3.97Å; A186-F265 HydrophobicContact CB-CE2 3.9Å; A186-F265 HydrophobicContact CB-CZ 3.92Å; H248-F265 HydrophobicContact CB-CE2 4.25Å; H248-F265 HydrophobicContact CB-CZ 4.47Å; I251-F265 HydrophobicContact CB-CD2 4.29Å; I251-F265 HydrophobicContact CB-CE2 4.15Å; I251-F265 HydrophobicContact CD1-CD2 4.34Å; I251-F265 HydrophobicContact CD1-CE2 3.79Å; I251-F265 HydrophobicContact CD1-CZ 3.95Å; I251-F265 HydrophobicContact CG2-CD2 3.52Å; I251-F265 HydrophobicContact CG2-CE2 3.88Å; I251-F265 HydrophobicContact CG2-CG 4.32Å; F265-Q267 PolarHBondContact O-N 3.13Å; F265-T268 PolarHBondContact O-N 3.21Å; F265-L269 HydrophobicContact CE1-CD2 4.11Å; F265-L269 WeakPolarHBondContact O-CB 3.23Å; F265-L269 PolarHBondContact O-N 2.91Å |
| 266 | F | 94.8 | Very high | 90.1 | Very high | 149 Ų | 149 | 66.8 Ų | 66.8 | 65% | 0.654 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68.2 | -36.6 | -177.4 | -64.8 | -72.5 | 0 | 0 | 0 | 112.6 | T268 L269 L270 | F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 3.03Å; F266-L269 HydrophobicContact CD1-CD2 4.47Å; F266-L269 PolarHBondContact O-N 2.95Å; F266-L270 WeakPolarHBondContact O-CB 3.37Å; F266-L270 VanDerWaalsContact O-CG 3.3Å; F266-L270 WeakPolarHBondContact O-CG 3.24Å; F266-L270 PolarHBondContact O-N 2.94Å |
| 267 | Q | 95.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 67.4 Ų | 67.4 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 171.7 | -176.5 | -160.8 | 12.1 | 0 | 0 | 109.8 | R263 S264 F265 L269 L270 T271 | R263-Q267 VanDerWaalsContact N-OE1 3.14Å; S264-Q267 WeakPolarHBondContact OG-CB 3.37Å; S264-Q267 PolarHBondContact OG-N 3.33Å; F265-Q267 PolarHBondContact O-N 3.13Å; Q267-L269 PolarHBondContact O-N 2.88Å; Q267-L270 PolarHBondContact O-N 3.35Å; Q267-T271 VanDerWaalsContact O-CB 3.31Å; Q267-T271 WeakPolarHBondContact O-CB 3.39Å; Q267-T271 PolarHBondContact O-N 2.81Å; Q267-T271 PolarHBondContact O-OG1 3.4Å |
| 268 | T | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | -178.5 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | I251 R254 Y262 S264 F265 F266 L270 T271 V272 | I251-T268 HydrophobicContact CB-CG2 4.32Å; I251-T268 HydrophobicContact CG1-CG2 4.16Å; I251-T268 HydrophobicContact CG2-CG2 3.86Å; R254-T268 HydrophobicContact CB-CG2 4.03Å; Y262-T268 HydrophobicContact CD1-CG2 3.48Å; Y262-T268 VanDerWaalsContact CD1-CG2 3.48Å; Y262-T268 HydrophobicContact CE1-CG2 3.99Å; Y262-T268 HydrophobicContact CG-CG2 4.02Å; S264-T268 VanDerWaalsContact O-CB 3.32Å; S264-T268 WeakPolarHBondContact O-CB 3.37Å; S264-T268 PolarHBondContact O-N 3.32Å; S264-T268 PolarHBondContact O-OG1 2.96Å; F265-T268 PolarHBondContact O-N 3.21Å; F266-T268 VanDerWaalsContact C-N 3.34Å; F266-T268 PolarHBondContact O-N 3.03Å; T268-L270 PolarHBondContact O-N 2.87Å; T268-T271 PolarHBondContact O-N 3.46Å; T268-V272 HydrophobicContact CG2-CG2 3.96Å; T268-V272 WeakPolarHBondContact O-CB 3.27Å; T268-V272 VanDerWaalsContact O-CG2 3.31Å; T268-V272 WeakPolarHBondContact O-CG2 3.32Å; T268-V272 PolarHBondContact O-N 3.29Å |
| 269 | L | 94.4 | Very high | 89.9 | Confident | 52 Ų | 52 | 82 Ų | 82 | 27% | 0.272 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.2 | -34.6 | 176.5 | 179.7 | 61.7 | 0 | 0 | 0 | 112.3 | P247 I251 F265 F266 Q267 P273 L281 | P247-L269 HydrophobicContact CB-CD1 4.48Å; I251-L269 HydrophobicContact CD1-CB 3.64Å; I251-L269 HydrophobicContact CD1-CD1 3.55Å; I251-L269 HydrophobicContact CD1-CG 4.11Å; F265-L269 HydrophobicContact CE1-CD2 4.11Å; F265-L269 WeakPolarHBondContact O-CB 3.23Å; F265-L269 PolarHBondContact O-N 2.91Å; F266-L269 HydrophobicContact CD1-CD2 4.47Å; F266-L269 PolarHBondContact O-N 2.95Å; Q267-L269 PolarHBondContact O-N 2.88Å; L269-P273 WeakPolarHBondContact O-CD 3.32Å; L269-P273 VanDerWaalsContact O-CG 3.28Å; L269-P273 WeakPolarHBondContact O-CG 3.33Å; L269-L281 HydrophobicContact CD1-CD1 4.26Å; L269-L281 HydrophobicContact CD1-CD2 4.37Å |
| 270 | L | 94.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 79.7 Ų | 79.7 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -87 | -35.8 | 178.3 | -66.4 | 173.5 | 0 | 0 | 0 | 112.6 | F266 Q267 T268 R274 | F266-L270 WeakPolarHBondContact O-CB 3.37Å; F266-L270 VanDerWaalsContact O-CG 3.3Å; F266-L270 WeakPolarHBondContact O-CG 3.24Å; F266-L270 PolarHBondContact O-N 2.94Å; Q267-L270 PolarHBondContact O-N 3.35Å; T268-L270 PolarHBondContact O-N 2.87Å; L270-R274 WeakPolarHBondContact O-CB 3.49Å; L270-R274 WeakPolarHBondContact O-CD 3.44Å; L270-R274 WeakPolarHBondContact O-CG 3.22Å |
| 271 | T | 92.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 76.3 Ų | 76.3 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.4 | -43.5 | -179.4 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | Y262 Q267 T268 R274 E275 | Y262-T271 HydrophobicContact CE1-CG2 4.32Å; Q267-T271 VanDerWaalsContact O-CB 3.31Å; Q267-T271 WeakPolarHBondContact O-CB 3.39Å; Q267-T271 PolarHBondContact O-N 2.81Å; Q267-T271 PolarHBondContact O-OG1 3.4Å; T268-T271 PolarHBondContact O-N 3.46Å; T271-R274 PolarHBondContact O-N 2.69Å; T271-E275 VanDerWaalsContact CG2-CD 3.46Å; T271-E275 HydrophobicContact CG2-CG 4.12Å; T271-E275 VanDerWaalsContact CG2-OE1 3.3Å; T271-E275 WeakPolarHBondContact CG2-OE1 3.44Å; T271-E275 PolarHBondContact O-N 2.92Å |
| 272 | V | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.6 | -49.8 | -174.9 | 168.9 | 0 | 0 | 0 | 0 | 112.5 | Y262 T268 R274 E275 E276 A280 L281 | Y262-V272 HydrophobicContact CE1-CG2 3.95Å; T268-V272 HydrophobicContact CG2-CG2 3.96Å; T268-V272 WeakPolarHBondContact O-CB 3.27Å; T268-V272 VanDerWaalsContact O-CG2 3.31Å; T268-V272 WeakPolarHBondContact O-CG2 3.32Å; T268-V272 PolarHBondContact O-N 3.29Å; V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 PolarHBondContact O-N 2.91Å; V272-E275 PolarHBondContact O-N 3.2Å; V272-E276 WeakPolarHBondContact O-CB 3.26Å; V272-E276 PolarHBondContact O-N 2.94Å; V272-A280 HydrophobicContact CG1-CB 3.56Å; V272-L281 HydrophobicContact CB-CD2 4.2Å; V272-L281 HydrophobicContact CG1-CD2 3.89Å; V272-L281 HydrophobicContact CG1-CG 4.31Å |
| 273 | P | 91.3 | Very high | 91 | Very high | 21 Ų | 21 | 77.8 Ų | 77.8 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -32.8 | 176.8 | -23.5 | 35.8 | 0 | 0 | 0 | 113.7 | L269 G277 Y278 L281 | L269-P273 WeakPolarHBondContact O-CD 3.32Å; L269-P273 VanDerWaalsContact O-CG 3.28Å; L269-P273 WeakPolarHBondContact O-CG 3.33Å; P273-G277 WeakPolarHBondContact O-CA 3.49Å; P273-G277 PolarHBondContact O-N 3.35Å; P273-G277 VanDerWaalsContact O-N 3.09Å; P273-Y278 HydrophobicContact CB-CD1 3.96Å; P273-Y278 HydrophobicContact CB-CE1 4Å; P273-Y278 HydrophobicContact CB-CG 4.39Å; P273-Y278 HydrophobicContact CG-CD1 4.45Å; P273-L281 HydrophobicContact CG-CD1 3.64Å; P273-L281 HydrophobicContact CG-CD2 4.41Å; P273-L281 HydrophobicContact CG-CG 3.99Å |
| 274 | R | 89.4 | Confident | 91.1 | Very high | 196 Ų | 196 | 68.9 Ų | 68.9 | 74% | 0.74 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.3 | -38.7 | 179.6 | -75.3 | 176.3 | -177.7 | 167 | 0.3 | 112.3 | L270 T271 V272 | L270-R274 WeakPolarHBondContact O-CB 3.49Å; L270-R274 WeakPolarHBondContact O-CD 3.44Å; L270-R274 WeakPolarHBondContact O-CG 3.22Å; T271-R274 PolarHBondContact O-N 2.69Å; V272-R274 VanDerWaalsContact C-N 3.32Å; V272-R274 PolarHBondContact O-N 2.91Å |
| 275 | E | 87.4 | Confident | 91.1 | Very high | 116 Ų | 116 | 67.6 Ų | 67.6 | 54% | 0.542 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -94.8 | -36.8 | -175.9 | -66 | -178.7 | -177.7 | 0 | 0 | 113.6 | K261 T271 V272 | K261-E275 WeakPolarHBondContact CE-OE2 3.37Å; K261-E275 IonicContact NZ-OE2 2.71Å; K261-E275 PolarHBondContact NZ-OE2 3.49Å; T271-E275 VanDerWaalsContact CG2-CD 3.46Å; T271-E275 HydrophobicContact CG2-CG 4.12Å; T271-E275 VanDerWaalsContact CG2-OE1 3.3Å; T271-E275 WeakPolarHBondContact CG2-OE1 3.44Å; T271-E275 PolarHBondContact O-N 2.92Å; V272-E275 PolarHBondContact O-N 3.2Å |
| 276 | E | 84.8 | Confident | 91 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -115.8 | -4.1 | -172.1 | -63.6 | 174.1 | -133.4 | 0 | 0 | 113.2 | R254 Y262 V272 A280 R283 | R254-E276 IonicContact CZ-OE1 3.31Å; R254-E276 IonicContact CZ-OE2 3.68Å; R254-E276 VanDerWaalsContact NH1-CD 3.33Å; R254-E276 IonicContact NH1-OE1 3.83Å; R254-E276 PolarHBondContact NH1-OE1 3.02Å; R254-E276 IonicContact NH1-OE2 3.83Å; R254-E276 PolarHBondContact NH1-OE2 3.36Å; R254-E276 IonicContact NH2-OE1 3.5Å; R254-E276 IonicContact NH2-OE2 2.71Å; R254-E276 PolarHBondContact NH2-OE2 3Å; Y262-E276 PolarHBondContact OH-OE1 2.88Å; V272-E276 WeakPolarHBondContact O-CB 3.26Å; V272-E276 PolarHBondContact O-N 2.94Å; E276-A280 HydrophobicContact CB-CB 3.53Å; E276-R283 IonicContact OE2-CZ 2.98Å; E276-R283 IonicContact OE2-NH1 3.84Å; E276-R283 PolarHBondContact OE2-NH1 3.23Å; E276-R283 VanDerWaalsContact OE2-NH1 3.14Å; E276-R283 IonicContact OE2-NH2 2.69Å |
| 277 | G | 87.4 | Confident | 90.8 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | trans | 82.4 | 162.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P273 R279 A280 | P273-G277 WeakPolarHBondContact O-CA 3.49Å; P273-G277 PolarHBondContact O-N 3.35Å; P273-G277 VanDerWaalsContact O-N 3.09Å; G277-R279 PolarHBondContact O-N 3Å; G277-R279 VanDerWaalsContact O-N 3.15Å; G277-A280 WeakPolarHBondContact O-CB 3.47Å; G277-A280 PolarHBondContact O-N 3.34Å | ||
| 278 | Y | 88.4 | Confident | 90.6 | Very high | 184 Ų | 184 | 60.8 Ų | 60.8 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -58.3 | -30.2 | -176.8 | -71.9 | -79.8 | 0 | 0 | 0 | 114.4 | P273 A280 L281 | P273-Y278 HydrophobicContact CB-CD1 3.96Å; P273-Y278 HydrophobicContact CB-CE1 4Å; P273-Y278 HydrophobicContact CB-CG 4.39Å; P273-Y278 HydrophobicContact CG-CD1 4.45Å; Y278-A280 PolarHBondContact O-N 2.89Å; Y278-L281 PolarHBondContact O-N 2.78Å |
| 279 | R | 88.2 | Confident | 90.5 | Very high | 218 Ų | 218 | 62.9 Ų | 62.9 | 82% | 0.823 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.7 | -22.8 | 176.9 | -67.6 | -175.9 | 178.4 | -177.4 | -0.4 | 112.6 | G277 L281 Y282 | G277-R279 PolarHBondContact O-N 3Å; G277-R279 VanDerWaalsContact O-N 3.15Å; R279-L281 VanDerWaalsContact C-N 3.27Å; R279-L281 PolarHBondContact O-N 2.73Å; R279-Y282 PolarHBondContact O-N 3.29Å; R279-Y282 VanDerWaalsContact O-N 3.13Å |
| 280 | A | 88.2 | Confident | 90.4 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -63.5 | -32.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V272 E276 G277 Y278 Y282 R283 | V272-A280 HydrophobicContact CG1-CB 3.56Å; E276-A280 HydrophobicContact CB-CB 3.53Å; G277-A280 WeakPolarHBondContact O-CB 3.47Å; G277-A280 PolarHBondContact O-N 3.34Å; Y278-A280 PolarHBondContact O-N 2.89Å; A280-Y282 PolarHBondContact O-N 3.09Å; A280-R283 PolarHBondContact O-N 2.95Å |
| 281 | L | 92 | Very high | 90.2 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -67.1 | -12 | 175.9 | -67.9 | 178.6 | 0 | 0 | 0 | 113.9 | Y246 P247 V250 I251 L269 V272 P273 Y278 R279 | Y246-L281 VanDerWaalsContact CD1-O 3.3Å; Y246-L281 WeakPolarHBondContact CD1-O 3.43Å; P247-L281 HydrophobicContact CB-CB 4.3Å; P247-L281 HydrophobicContact CB-CD1 4.35Å; P247-L281 HydrophobicContact CB-CD2 4.33Å; P247-L281 HydrophobicContact CG-CB 4.34Å; V250-L281 WeakPolarHBondContact CG2-O 3.44Å; I251-L281 HydrophobicContact CG1-CD2 4.46Å; L269-L281 HydrophobicContact CD1-CD1 4.26Å; L269-L281 HydrophobicContact CD1-CD2 4.37Å; V272-L281 HydrophobicContact CB-CD2 4.2Å; V272-L281 HydrophobicContact CG1-CD2 3.89Å; V272-L281 HydrophobicContact CG1-CG 4.31Å; P273-L281 HydrophobicContact CG-CD1 3.64Å; P273-L281 HydrophobicContact CG-CD2 4.41Å; P273-L281 HydrophobicContact CG-CG 3.99Å; Y278-L281 PolarHBondContact O-N 2.78Å; R279-L281 VanDerWaalsContact C-N 3.27Å; R279-L281 PolarHBondContact O-N 2.73Å |
| 282 | Y | 93.2 | Very high | 90 | Very high | 106 Ų | 106 | 62.4 Ų | 62.4 | 42% | 0.416 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -115.5 | 8.7 | -177.7 | -67.4 | -85.4 | 0 | 0 | 0 | 113.5 | S243 Y246 R279 A280 G284 L285 | S243-Y282 WeakPolarHBondContact O-CE1 3.17Å; Y246-Y282 HydrophobicContact CD1-CD1 4.14Å; R279-Y282 PolarHBondContact O-N 3.29Å; R279-Y282 VanDerWaalsContact O-N 3.13Å; A280-Y282 PolarHBondContact O-N 3.09Å; Y282-G284 PolarHBondContact O-N 3.45Å; Y282-L285 HydrophobicContact CD1-CD2 3.99Å; Y282-L285 VanDerWaalsContact O-CB 3.27Å; Y282-L285 WeakPolarHBondContact O-CB 3.44Å; Y282-L285 PolarHBondContact O-N 2.87Å; Y282-L285 VanDerWaalsContact O-N 3.13Å |
| 283 | R | 90.3 | Very high | 89.9 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 13% | 0.125 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 133.7 | 179 | -70.8 | 177.7 | 179.7 | 178.8 | 4.1 | 111.2 | L35 Q36 T41 Y246 E276 A280 L285 | L35-R283 VanDerWaalsContact O-CB 3.23Å; L35-R283 WeakPolarHBondContact O-CB 3.45Å; Q36-R283 VanDerWaalsContact CG-O 3.26Å; Q36-R283 WeakPolarHBondContact CG-O 3.45Å; T41-R283 PolarHBondContact OG1-NH1 3.29Å; Y246-R283 VanDerWaalsContact CE1-O 3.31Å; Y246-R283 WeakPolarHBondContact CE1-O 3.48Å; Y246-R283 PolarHBondContact OH-O 2.98Å; E276-R283 IonicContact OE2-CZ 2.98Å; E276-R283 IonicContact OE2-NH1 3.84Å; E276-R283 PolarHBondContact OE2-NH1 3.23Å; E276-R283 VanDerWaalsContact OE2-NH1 3.14Å; E276-R283 IonicContact OE2-NH2 2.69Å; A280-R283 PolarHBondContact O-N 2.95Å; R283-L285 VanDerWaalsContact C-N 3.3Å; R283-L285 PolarHBondContact O-N 2.95Å |
| 284 | G | 89.8 | Confident | 89.8 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 8% | 0.082 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -2.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y246 Y282 T286 T287 H288 | Y246-G284 WeakPolarHBondContact OH-CA 3.27Å; Y246-G284 PolarHBondContact OH-O 3.24Å; Y282-G284 PolarHBondContact O-N 3.45Å; G284-T286 VanDerWaalsContact C-N 3.32Å; G284-T286 PolarHBondContact O-N 3.42Å; G284-T287 PolarHBondContact O-N 2.91Å; G284-H288 PolarHBondContact O-N 3.23Å |
| 285 | L | 92.7 | Very high | 89.8 | Confident | 27 Ų | 27 | 62.4 Ų | 62.4 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | -178.8 | 173.5 | 62.8 | 0 | 0 | 0 | 110.9 | T242 Y246 Y282 R283 T287 H288 L289 | T242-L285 HydrophobicContact CG2-CD1 4.3Å; Y246-L285 HydrophobicContact CD1-CB 4.06Å; Y246-L285 HydrophobicContact CD1-CD1 4.46Å; Y246-L285 HydrophobicContact CD2-CB 4.27Å; Y246-L285 HydrophobicContact CD2-CD1 3.45Å; Y246-L285 VanDerWaalsContact CD2-CD1 3.45Å; Y246-L285 HydrophobicContact CD2-CG 4.41Å; Y246-L285 HydrophobicContact CE1-CB 3.81Å; Y246-L285 HydrophobicContact CE2-CB 4.01Å; Y246-L285 HydrophobicContact CE2-CD1 3.78Å; Y246-L285 HydrophobicContact CG-CB 4.28Å; Y246-L285 HydrophobicContact CG-CD1 3.83Å; Y246-L285 HydrophobicContact CG-CG 4.49Å; Y246-L285 VanDerWaalsContact CZ-CA 3.43Å; Y246-L285 PolarHBondContact OH-N 2.91Å; Y282-L285 HydrophobicContact CD1-CD2 3.99Å; Y282-L285 VanDerWaalsContact O-CB 3.27Å; Y282-L285 WeakPolarHBondContact O-CB 3.44Å; Y282-L285 PolarHBondContact O-N 2.87Å; Y282-L285 VanDerWaalsContact O-N 3.13Å; R283-L285 VanDerWaalsContact C-N 3.3Å; R283-L285 PolarHBondContact O-N 2.95Å; L285-T287 PolarHBondContact O-N 3.42Å; L285-H288 WeakPolarHBondContact O-CB 3.32Å; L285-H288 PolarHBondContact O-N 3.37Å; L285-H288 VanDerWaalsContact O-N 3.1Å; L285-L289 HydrophobicContact CD1-CD1 4.01Å; L285-L289 HydrophobicContact CD1-CD2 4.35Å; L285-L289 HydrophobicContact CD1-CG 3.92Å; L285-L289 HydrophobicContact CG-CD1 4.05Å; L285-L289 HydrophobicContact CG-CG 4.35Å; L285-L289 WeakPolarHBondContact O-CG 3.17Å; L285-L289 PolarHBondContact O-N 3.02Å |
| 286 | T | 91.4 | Very high | 89.8 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 57% | 0.571 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.1 | -48.4 | 176.7 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | G284 H288 L289 V290 | G284-T286 VanDerWaalsContact C-N 3.32Å; G284-T286 PolarHBondContact O-N 3.42Å; T286-H288 VanDerWaalsContact C-N 3.26Å; T286-H288 PolarHBondContact O-N 3.18Å; T286-L289 PolarHBondContact O-N 3.41Å; T286-V290 HydrophobicContact CG2-CG2 4.33Å; T286-V290 WeakPolarHBondContact O-CB 3.27Å; T286-V290 VanDerWaalsContact O-CG2 3.24Å; T286-V290 WeakPolarHBondContact O-CG2 3.43Å; T286-V290 PolarHBondContact O-N 3.33Å |
| 287 | T | 91 | Very high | 90.1 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 177.2 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | L28 V31 K32 L35 P65 G284 L285 R291 | L28-T287 HydrophobicContact CB-CG2 4.31Å; L28-T287 HydrophobicContact CD2-CG2 4.29Å; L28-T287 VanDerWaalsContact O-CG2 3.22Å; L28-T287 WeakPolarHBondContact O-CG2 3.45Å; V31-T287 HydrophobicContact CB-CG2 4.15Å; V31-T287 HydrophobicContact CG1-CG2 4.02Å; K32-T287 HydrophobicContact CB-CG2 4.01Å; L35-T287 WeakPolarHBondContact CD1-OG1 3.22Å; P65-T287 WeakPolarHBondContact CB-OG1 3.5Å; P65-T287 WeakPolarHBondContact CG-OG1 3.36Å; G284-T287 PolarHBondContact O-N 2.91Å; L285-T287 PolarHBondContact O-N 3.42Å; T287-R291 VanDerWaalsContact O-CB 3.26Å; T287-R291 WeakPolarHBondContact O-CB 3.11Å; T287-R291 PolarHBondContact O-N 2.79Å |
| 288 | H | 92.1 | Very high | 90.3 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.06 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -49.1 | 177.4 | -177.4 | 46.6 | 0 | 0 | 0 | 112.2 | K32 T242 Y246 E249 G284 L285 T286 R291 Q292 | K32-H288 HydrophobicContact CD-CB 3.74Å; K32-H288 HydrophobicContact CG-CB 4.31Å; K32-H288 PolarHBondContact NZ-CE1 3.43Å; K32-H288 VanDerWaalsContact NZ-CG 3.31Å; K32-H288 PolarHBondContact NZ-ND1 2.99Å; T242-H288 VanDerWaalsContact CG2-CD2 3.41Å; T242-H288 WeakPolarHBondContact CG2-CD2 3.4Å; Y246-H288 HydrophobicContact CE2-CB 4.09Å; E249-H288 IonicContact OE1-NE2 3.98Å; G284-H288 PolarHBondContact O-N 3.23Å; L285-H288 WeakPolarHBondContact O-CB 3.32Å; L285-H288 PolarHBondContact O-N 3.37Å; L285-H288 VanDerWaalsContact O-N 3.1Å; T286-H288 VanDerWaalsContact C-N 3.26Å; T286-H288 PolarHBondContact O-N 3.18Å; H288-R291 PolarHBondContact O-N 2.68Å; H288-Q292 PolarHBondContact NE2-NE2 3.36Å; H288-Q292 WeakPolarHBondContact O-CG 3.18Å; H288-Q292 PolarHBondContact O-N 3.42Å |
| 289 | L | 91.9 | Very high | 90.3 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -47 | 179 | -66.4 | 176.8 | 0 | 0 | 0 | 111.5 | T239 T242 L285 T286 R291 Q292 | T239-L289 HydrophobicContact CG2-CD1 4.3Å; T239-L289 HydrophobicContact CG2-CD2 4.13Å; T242-L289 HydrophobicContact CG2-CD2 4.23Å; L285-L289 HydrophobicContact CD1-CD1 4.01Å; L285-L289 HydrophobicContact CD1-CD2 4.35Å; L285-L289 HydrophobicContact CD1-CG 3.92Å; L285-L289 HydrophobicContact CG-CD1 4.05Å; L285-L289 HydrophobicContact CG-CG 4.35Å; L285-L289 WeakPolarHBondContact O-CG 3.17Å; L285-L289 PolarHBondContact O-N 3.02Å; T286-L289 PolarHBondContact O-N 3.41Å; L289-R291 PolarHBondContact O-N 3.5Å; L289-Q292 WeakPolarHBondContact O-CB 3.41Å; L289-Q292 PolarHBondContact O-N 2.93Å |
| 290 | V | 91.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 47% | 0.473 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59 | -35.3 | 177.6 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | T286 Q292 P294 | T286-V290 HydrophobicContact CG2-CG2 4.33Å; T286-V290 WeakPolarHBondContact O-CB 3.27Å; T286-V290 VanDerWaalsContact O-CG2 3.24Å; T286-V290 WeakPolarHBondContact O-CG2 3.43Å; T286-V290 PolarHBondContact O-N 3.33Å; V290-Q292 VanDerWaalsContact C-N 3.32Å; V290-Q292 PolarHBondContact O-N 2.93Å; V290-P294 WeakPolarHBondContact O-CD 3.42Å |
| 291 | R | 90.1 | Very high | 90.5 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 14% | 0.143 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -30 | 177.9 | -172.1 | 179.5 | 73.8 | 81.1 | -4.8 | 113.6 | T25 L28 E29 T287 H288 L289 I293 P294 N295 | T25-R291 HydrophobicContact CG2-CG 4.34Å; L28-R291 HydrophobicContact CB-CB 4.03Å; L28-R291 HydrophobicContact CB-CG 3.86Å; L28-R291 HydrophobicContact CD1-CB 3.99Å; L28-R291 HydrophobicContact CD1-CG 4.03Å; E29-R291 IonicContact OE1-CZ 3.96Å; E29-R291 IonicContact OE1-NE 3.4Å; E29-R291 PolarHBondContact OE1-NE 3.01Å; E29-R291 IonicContact OE1-NH1 3.82Å; E29-R291 IonicContact OE1-NH2 2.64Å; E29-R291 PolarHBondContact OE1-NH2 3.41Å; T287-R291 VanDerWaalsContact O-CB 3.26Å; T287-R291 WeakPolarHBondContact O-CB 3.11Å; T287-R291 PolarHBondContact O-N 2.79Å; H288-R291 PolarHBondContact O-N 2.68Å; L289-R291 PolarHBondContact O-N 3.5Å; R291-I293 VanDerWaalsContact C-N 3.31Å; R291-I293 PolarHBondContact O-N 2.91Å; R291-P294 VanDerWaalsContact O-CD 3.27Å; R291-P294 WeakPolarHBondContact O-CD 3.36Å; R291-P294 WeakPolarHBondContact O-CG 3.49Å; R291-N295 VanDerWaalsContact O-CB 3.26Å; R291-N295 WeakPolarHBondContact O-CB 3.46Å; R291-N295 PolarHBondContact O-N 2.82Å; R291-N295 VanDerWaalsContact O-N 3.16Å |
| 292 | Q | 87.6 | Confident | 90.4 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | -174.4 | -67.2 | 179.5 | 16.4 | 0 | 0 | 111.7 | H288 L289 V290 N295 T296 | H288-Q292 PolarHBondContact NE2-NE2 3.36Å; H288-Q292 WeakPolarHBondContact O-CG 3.18Å; H288-Q292 PolarHBondContact O-N 3.42Å; L289-Q292 WeakPolarHBondContact O-CB 3.41Å; L289-Q292 PolarHBondContact O-N 2.93Å; V290-Q292 VanDerWaalsContact C-N 3.32Å; V290-Q292 PolarHBondContact O-N 2.93Å; Q292-N295 PolarHBondContact O-N 2.95Å; Q292-T296 PolarHBondContact O-N 2.95Å; Q292-T296 PolarHBondContact O-OG1 3.44Å; Q292-T296 VanDerWaalsContact O-OG1 3.05Å |
| 293 | I | 88.6 | Confident | 90.3 | Very high | 132 Ų | 132 | 52.3 Ų | 52.3 | 68% | 0.677 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.1 | -60.1 | -178.6 | -56.6 | 171.7 | 0 | 0 | 0 | 112.3 | R291 N295 T296 A297 | R291-I293 VanDerWaalsContact C-N 3.31Å; R291-I293 PolarHBondContact O-N 2.91Å; I293-N295 VanDerWaalsContact C-N 3.3Å; I293-N295 PolarHBondContact O-N 3.19Å; I293-T296 PolarHBondContact O-N 3.42Å; I293-A297 PolarHBondContact O-N 3.24Å |
| 294 | P | 90.3 | Very high | 90.3 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 179.6 | 26.5 | -34.5 | 0 | 0 | 0 | 111.8 | T25 L28 V290 R291 T296 A297 I298 | T25-P294 HydrophobicContact CG2-CG 4.42Å; L28-P294 HydrophobicContact CD1-CG 4.26Å; V290-P294 WeakPolarHBondContact O-CD 3.42Å; R291-P294 VanDerWaalsContact O-CD 3.27Å; R291-P294 WeakPolarHBondContact O-CD 3.36Å; R291-P294 WeakPolarHBondContact O-CG 3.49Å; P294-T296 PolarHBondContact O-N 3.49Å; P294-A297 PolarHBondContact O-N 2.92Å; P294-I298 HydrophobicContact CB-CD1 4.45Å; P294-I298 VanDerWaalsContact O-CB 3.32Å; P294-I298 WeakPolarHBondContact O-CB 3.39Å; P294-I298 VanDerWaalsContact O-CD1 3.3Å; P294-I298 WeakPolarHBondContact O-CD1 3.48Å; P294-I298 WeakPolarHBondContact O-CG1 3.3Å; P294-I298 PolarHBondContact O-N 3.36Å |
| 295 | N | 89.2 | Confident | 90.4 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 22% | 0.219 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 177.6 | -174.3 | 76.6 | 0 | 0 | 0 | 111.5 | T25 R291 Q292 I293 M299 | T25-N295 HydrophobicContact CG2-CB 3.89Å; T25-N295 PolarHBondContact OG1-OD1 3.27Å; R291-N295 VanDerWaalsContact O-CB 3.26Å; R291-N295 WeakPolarHBondContact O-CB 3.46Å; R291-N295 PolarHBondContact O-N 2.82Å; R291-N295 VanDerWaalsContact O-N 3.16Å; Q292-N295 PolarHBondContact O-N 2.95Å; I293-N295 VanDerWaalsContact C-N 3.3Å; I293-N295 PolarHBondContact O-N 3.19Å; N295-M299 VanDerWaalsContact O-CB 3.27Å; N295-M299 WeakPolarHBondContact O-CB 3.3Å; N295-M299 PolarHBondContact O-N 2.97Å |
| 296 | T | 87.3 | Confident | 90.3 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 42% | 0.423 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | Q292 I293 P294 M299 M300 | Q292-T296 PolarHBondContact O-N 2.95Å; Q292-T296 PolarHBondContact O-OG1 3.44Å; Q292-T296 VanDerWaalsContact O-OG1 3.05Å; I293-T296 PolarHBondContact O-N 3.42Å; P294-T296 PolarHBondContact O-N 3.49Å; T296-M299 PolarHBondContact O-N 3.4Å; T296-M300 HydrophobicContact CG2-CG 4.46Å; T296-M300 WeakPolarHBondContact O-CG 3.4Å; T296-M300 PolarHBondContact O-N 3.44Å |
| 297 | A | 90.2 | Very high | 90.3 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I293 P294 M299 M300 C301 | I293-A297 PolarHBondContact O-N 3.24Å; P294-A297 PolarHBondContact O-N 2.92Å; A297-M299 VanDerWaalsContact C-N 3.33Å; A297-M299 PolarHBondContact O-N 2.83Å; A297-M300 PolarHBondContact O-N 3.15Å; A297-C301 WeakPolarHBondContact O-CB 3.36Å; A297-C301 PolarHBondContact O-N 3.47Å; A297-C301 PolarHBondContact O-SG 2.75Å |
| 298 | I | 91.9 | Very high | 90.2 | Very high | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.185 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 178.2 | -70.3 | 159.7 | 0 | 0 | 0 | 111 | V20 L24 T25 P294 T302 | V20-I298 HydrophobicContact CB-CG2 4.33Å; V20-I298 HydrophobicContact CG1-CG2 3.75Å; L24-I298 HydrophobicContact CB-CD1 3.68Å; L24-I298 HydrophobicContact CD1-CD1 3.76Å; L24-I298 HydrophobicContact CD1-CG1 4.11Å; L24-I298 HydrophobicContact CD1-CG2 3.98Å; L24-I298 HydrophobicContact CG-CD1 4.38Å; T25-I298 HydrophobicContact CG2-CD1 4.23Å; P294-I298 HydrophobicContact CB-CD1 4.45Å; P294-I298 VanDerWaalsContact O-CB 3.32Å; P294-I298 WeakPolarHBondContact O-CB 3.39Å; P294-I298 VanDerWaalsContact O-CD1 3.3Å; P294-I298 WeakPolarHBondContact O-CD1 3.48Å; P294-I298 WeakPolarHBondContact O-CG1 3.3Å; P294-I298 PolarHBondContact O-N 3.36Å; I298-T302 VanDerWaalsContact O-CB 3.24Å; I298-T302 WeakPolarHBondContact O-CB 3.5Å; I298-T302 PolarHBondContact O-N 3.28Å; I298-T302 PolarHBondContact O-OG1 2.86Å |
| 299 | M | 88.9 | Confident | 90.2 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 34% | 0.335 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 179.9 | -177.4 | -173.5 | 73.6 | 0 | 0 | 111.3 | N295 T296 A297 Y303 | N295-M299 VanDerWaalsContact O-CB 3.27Å; N295-M299 WeakPolarHBondContact O-CB 3.3Å; N295-M299 PolarHBondContact O-N 2.97Å; T296-M299 PolarHBondContact O-N 3.4Å; A297-M299 VanDerWaalsContact C-N 3.33Å; A297-M299 PolarHBondContact O-N 2.83Å; M299-Y303 VanDerWaalsContact O-CB 3.23Å; M299-Y303 WeakPolarHBondContact O-CB 3.22Å; M299-Y303 PolarHBondContact O-N 3.35Å |
| 300 | M | 88.5 | Confident | 89.9 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 179.1 | -69.8 | -56.6 | -159.5 | 0 | 0 | 111.8 | T296 A297 T302 Y303 E304 | T296-M300 HydrophobicContact CG2-CG 4.46Å; T296-M300 WeakPolarHBondContact O-CG 3.4Å; T296-M300 PolarHBondContact O-N 3.44Å; A297-M300 PolarHBondContact O-N 3.15Å; M300-T302 VanDerWaalsContact C-N 3.29Å; M300-T302 PolarHBondContact O-N 3.45Å; M300-Y303 WeakPolarHBondContact O-CB 3.32Å; M300-Y303 PolarHBondContact O-N 3.13Å; M300-Y303 VanDerWaalsContact O-N 3.13Å; M300-E304 WeakPolarHBondContact O-CG 3.43Å; M300-E304 PolarHBondContact O-N 3.34Å |
| 301 | C | 90.9 | Very high | 89 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 51% | 0.507 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 177.4 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | A297 V305 | A297-C301 WeakPolarHBondContact O-CB 3.36Å; A297-C301 PolarHBondContact O-N 3.47Å; A297-C301 PolarHBondContact O-SG 2.75Å; C301-V305 WeakPolarHBondContact O-CB 3.44Å; C301-V305 WeakPolarHBondContact O-CG2 3.37Å; C301-V305 PolarHBondContact O-N 2.9Å |
| 302 | T | 90.9 | Very high | 87.4 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 15% | 0.147 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67 | -41.4 | 178.1 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | C16 V20 I298 M300 V305 V306 | C16-T302 HydrophobicContact CB-CG2 4.32Å; V20-T302 HydrophobicContact CB-CG2 4.32Å; V20-T302 HydrophobicContact CG2-CG2 4.06Å; I298-T302 VanDerWaalsContact O-CB 3.24Å; I298-T302 WeakPolarHBondContact O-CB 3.5Å; I298-T302 PolarHBondContact O-N 3.28Å; I298-T302 PolarHBondContact O-OG1 2.86Å; M300-T302 VanDerWaalsContact C-N 3.29Å; M300-T302 PolarHBondContact O-N 3.45Å; T302-V305 PolarHBondContact O-N 3.4Å; T302-V306 HydrophobicContact CG2-CG2 4.26Å; T302-V306 WeakPolarHBondContact O-CB 3.13Å; T302-V306 VanDerWaalsContact O-CG2 3.24Å; T302-V306 WeakPolarHBondContact O-CG2 2.96Å; T302-V306 PolarHBondContact O-N 3.11Å |
| 303 | Y | 90.7 | Very high | 87.4 | Confident | 78 Ų | 78 | 79 Ų | 79 | 31% | 0.306 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.1 | -49.9 | 176.6 | 170.6 | -91.7 | 0 | 0 | 0 | 111.2 | H10 A13 M299 M300 V305 V306 V307 | H10-Y303 HydrophobicContact CB-CE2 4.49Å; H10-Y303 PolarHBondContact CE1-OH 2.88Å; H10-Y303 AromaticContact ND1-CE2 3.95Å; H10-Y303 AromaticContact ND1-CZ 3.59Å; H10-Y303 PolarHBondContact ND1-OH 3.03Å; A13-Y303 HydrophobicContact CB-CD2 3.55Å; A13-Y303 HydrophobicContact CB-CE2 3.94Å; A13-Y303 HydrophobicContact CB-CG 4.31Å; M299-Y303 VanDerWaalsContact O-CB 3.23Å; M299-Y303 WeakPolarHBondContact O-CB 3.22Å; M299-Y303 PolarHBondContact O-N 3.35Å; M300-Y303 WeakPolarHBondContact O-CB 3.32Å; M300-Y303 PolarHBondContact O-N 3.13Å; M300-Y303 VanDerWaalsContact O-N 3.13Å; Y303-V305 PolarHBondContact O-N 3.24Å; Y303-V306 PolarHBondContact O-N 3.38Å; Y303-V307 HydrophobicContact CD1-CG2 4.37Å; Y303-V307 HydrophobicContact CD2-CG2 4.32Å; Y303-V307 HydrophobicContact CE1-CG2 4.05Å; Y303-V307 HydrophobicContact CE2-CG2 3.99Å; Y303-V307 WeakPolarHBondContact O-CB 3.49Å; Y303-V307 VanDerWaalsContact O-CG2 3.32Å; Y303-V307 WeakPolarHBondContact O-CG2 3.45Å; Y303-V307 PolarHBondContact O-N 3.21Å |
| 304 | E | 90.8 | Very high | 87.3 | Confident | 127 Ų | 127 | 76.2 Ų | 76.2 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 178.5 | -73.1 | 177.7 | -170.3 | 0 | 0 | 112 | M300 V306 V307 Y308 | M300-E304 WeakPolarHBondContact O-CG 3.43Å; M300-E304 PolarHBondContact O-N 3.34Å; E304-V306 PolarHBondContact O-N 3.07Å; E304-V307 PolarHBondContact O-N 2.89Å; E304-Y308 VanDerWaalsContact O-CB 3.27Å; E304-Y308 WeakPolarHBondContact O-CB 3.26Å; E304-Y308 PolarHBondContact O-N 3.45Å |
| 305 | V | 92.7 | Very high | 87.2 | Confident | 85 Ų | 85 | 78 Ų | 78 | 52% | 0.515 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 177.2 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | C301 T302 Y303 Y308 L309 | C301-V305 WeakPolarHBondContact O-CB 3.44Å; C301-V305 WeakPolarHBondContact O-CG2 3.37Å; C301-V305 PolarHBondContact O-N 2.9Å; T302-V305 PolarHBondContact O-N 3.4Å; Y303-V305 PolarHBondContact O-N 3.24Å; V305-Y308 PolarHBondContact O-N 3.11Å; V305-L309 HydrophobicContact CG1-CD1 3.94Å; V305-L309 HydrophobicContact CG1-CG 4.49Å; V305-L309 WeakPolarHBondContact O-CB 3.36Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.42Å; V305-L309 PolarHBondContact O-N 3.16Å |
| 306 | V | 90.3 | Very high | 87.1 | Confident | 21 Ų | 21 | 80.2 Ų | 80.2 | 13% | 0.127 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.3 | -41.5 | -178.9 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | F12 A13 C16 T302 Y303 E304 L309 L310 | F12-V306 HydrophobicContact CD1-CG1 3.83Å; F12-V306 HydrophobicContact CE1-CG1 4.22Å; A13-V306 HydrophobicContact CB-CB 3.82Å; A13-V306 HydrophobicContact CB-CG1 3.69Å; C16-V306 HydrophobicContact CB-CG2 4.08Å; T302-V306 HydrophobicContact CG2-CG2 4.26Å; T302-V306 WeakPolarHBondContact O-CB 3.13Å; T302-V306 VanDerWaalsContact O-CG2 3.24Å; T302-V306 WeakPolarHBondContact O-CG2 2.96Å; T302-V306 PolarHBondContact O-N 3.11Å; Y303-V306 PolarHBondContact O-N 3.38Å; E304-V306 PolarHBondContact O-N 3.07Å; V306-L309 PolarHBondContact O-N 3.43Å; V306-L310 HydrophobicContact CG1-CD1 3.68Å; V306-L310 HydrophobicContact CG1-CG 4.33Å; V306-L310 WeakPolarHBondContact O-CB 3.43Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 3.43Å |
| 307 | V | 89.9 | Confident | 87 | Confident | 37 Ų | 37 | 80.9 Ų | 80.9 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | V9 A13 Y303 E304 L309 L310 G311 | V9-V307 HydrophobicContact CG1-CG2 4.46Å; A13-V307 HydrophobicContact CB-CG2 3.67Å; Y303-V307 HydrophobicContact CD1-CG2 4.37Å; Y303-V307 HydrophobicContact CD2-CG2 4.32Å; Y303-V307 HydrophobicContact CE1-CG2 4.05Å; Y303-V307 HydrophobicContact CE2-CG2 3.99Å; Y303-V307 WeakPolarHBondContact O-CB 3.49Å; Y303-V307 VanDerWaalsContact O-CG2 3.32Å; Y303-V307 WeakPolarHBondContact O-CG2 3.45Å; Y303-V307 PolarHBondContact O-N 3.21Å; E304-V307 PolarHBondContact O-N 2.89Å; V307-L309 VanDerWaalsContact C-N 3.33Å; V307-L309 PolarHBondContact O-N 3.28Å; V307-L310 PolarHBondContact O-N 3.33Å; V307-G311 WeakPolarHBondContact O-CA 3.48Å; V307-G311 PolarHBondContact O-N 2.62Å |
| 308 | Y | 90.4 | Very high | 86.8 | Confident | 138 Ų | 138 | 82.7 Ų | 82.7 | 54% | 0.541 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 177.2 | 176.9 | -98.8 | 0 | 0 | 0 | 112.6 | E304 V305 R312 | E304-Y308 VanDerWaalsContact O-CB 3.27Å; E304-Y308 WeakPolarHBondContact O-CB 3.26Å; E304-Y308 PolarHBondContact O-N 3.45Å; V305-Y308 PolarHBondContact O-N 3.11Å; Y308-R312 VanDerWaalsContact OH-CZ 3.3Å; Y308-R312 PolarHBondContact OH-NH2 3.13Å |
| 309 | L | 91.1 | Very high | 86.5 | Confident | 109 Ų | 109 | 86.1 Ų | 86.1 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.9 | -35.3 | 180 | -70.6 | 173.7 | 0 | 0 | 0 | 113.2 | V305 V306 V307 | V305-L309 HydrophobicContact CG1-CD1 3.94Å; V305-L309 HydrophobicContact CG1-CG 4.49Å; V305-L309 WeakPolarHBondContact O-CB 3.36Å; V305-L309 VanDerWaalsContact O-CG 3.26Å; V305-L309 WeakPolarHBondContact O-CG 3.42Å; V305-L309 PolarHBondContact O-N 3.16Å; V306-L309 PolarHBondContact O-N 3.43Å; V307-L309 VanDerWaalsContact C-N 3.33Å; V307-L309 PolarHBondContact O-N 3.28Å |
| 310 | L | 85.6 | Confident | 86.3 | Confident | 68 Ų | 68 | 87.5 Ų | 87.5 | 36% | 0.356 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -96 | -17 | -176.2 | -65.7 | 178.4 | 0 | 0 | 0 | 114.5 | R5 V9 F12 V306 V307 R312 | R5-L310 PolarHBondContact NH2-O 2.71Å; V9-L310 HydrophobicContact CG1-CB 3.79Å; V9-L310 HydrophobicContact CG1-CD1 4.26Å; V9-L310 HydrophobicContact CG2-CB 4.04Å; V9-L310 HydrophobicContact CG2-CD1 4.48Å; F12-L310 HydrophobicContact CD1-CD1 3.67Å; F12-L310 HydrophobicContact CE1-CD1 4.18Å; V306-L310 HydrophobicContact CG1-CD1 3.68Å; V306-L310 HydrophobicContact CG1-CG 4.33Å; V306-L310 WeakPolarHBondContact O-CB 3.43Å; V306-L310 WeakPolarHBondContact O-CG 3.45Å; V306-L310 PolarHBondContact O-N 3.43Å; V307-L310 PolarHBondContact O-N 3.33Å; L310-R312 VanDerWaalsContact C-N 3.34Å |
| 311 | G | 73.4 | Confident | 86.1 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 66% | 0.66 | 45% | 0.446 | S | S | * | . | trans | -83.8 | -8.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | V307 | V307-G311 WeakPolarHBondContact O-CA 3.48Å; V307-G311 PolarHBondContact O-N 2.62Å | ||
| 312 | R | 56.5 | Low | 85.7 | Confident | 213 Ų | 213 | 87.6 Ų | 87.6 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | trans | -72.5 | 0 | 158.2 | -81 | -178.8 | 161.1 | 168.9 | -4.5 | 110.6 | Y308 L310 | Y308-R312 VanDerWaalsContact OH-CZ 3.3Å; Y308-R312 PolarHBondContact OH-NH2 3.13Å; L310-R312 VanDerWaalsContact C-N 3.34Å |
Retrieved 312 of 312 residues in 107.9 ms
(Link to these results)