| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48 | Very low | 65.3 | Low | 247 Ų | 247 | 135.9 Ų | 135.9 | 100% | 1.217 | 77% | 0.766 | S | S | * | * | 0 | 107.7 | 0 | -77.3 | 176.1 | 171.8 | 0 | 0 | 108.2 | S3 | M1-S3 PolarHBondContact O-N 2.86Š| |||
| 2 | A | 52.1 | Low | 66 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 87% | 0.868 | 71% | 0.712 | S | S | * | * | trans | -67.3 | 124 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | R4 | A2-R4 PolarHBondContact O-N 3.16Š| ||
| 3 | S | 64.7 | Low | 67.1 | Low | 83 Ų | 83 | 124.4 Ų | 124.4 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | trans | -57.9 | 129.3 | 179.6 | 52.2 | 0 | 0 | 0 | 0 | 108.8 | M1 Y5 G6 | M1-S3 PolarHBondContact O-N 2.86Å; S3-Y5 PolarHBondContact O-N 3.49Å; S3-G6 PolarHBondContact O-N 3.06Å; S3-G6 WeakPolarHBondContact OG-CA 3.48Å; S3-G6 PolarHBondContact OG-N 3.48Å | ||
| 4 | R | 61.6 | Low | 67.8 | Low | 222 Ų | 222 | 118.1 Ų | 118.1 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -19.5 | 174.7 | -88.2 | -172.6 | 176.4 | -160 | 1 | 112.7 | A2 | A2-R4 PolarHBondContact O-N 3.16Š|
| 5 | Y | 66.2 | Low | 68.6 | Low | 217 Ų | 217 | 115.5 Ų | 115.5 | 85% | 0.851 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 18.7 | -177.5 | -60.2 | -78.4 | 0 | 0 | 0 | 113.9 | S3 | S3-Y5 PolarHBondContact O-N 3.49Š|
| 6 | G | 72.1 | Confident | 69.3 | Low | 25 Ų | 25 | 110.9 Ų | 110.9 | 26% | 0.258 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -57.9 | 148.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S3 R8 | S3-G6 PolarHBondContact O-N 3.06Å; S3-G6 WeakPolarHBondContact OG-CA 3.48Å; S3-G6 PolarHBondContact OG-N 3.48Å; G6-R8 PolarHBondContact O-N 3.28Å |
| 7 | P | 71.5 | Confident | 69.9 | Low | 140 Ų | 140 | 110.9 Ų | 110.9 | 91% | 0.909 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -52 | 117.1 | 177.8 | -20.1 | 28.3 | 0 | 0 | 0 | 109.8 | ||
| 8 | R | 66.7 | Low | 70.5 | Confident | 153 Ų | 153 | 114.2 Ų | 114.2 | 58% | 0.577 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 142.2 | 171.7 | -66.3 | -174.1 | -179.9 | -171.2 | -6.7 | 108.1 | G6 V10 D13 | G6-R8 PolarHBondContact O-N 3.28Å; R8-V10 PolarHBondContact O-N 2.94Å; R8-D13 PolarHBondContact NH1-O 3.13Å |
| 9 | A | 69.7 | Low | 71 | Confident | 62 Ų | 62 | 114.2 Ų | 114.2 | 51% | 0.512 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 138.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | G11 T12 | A9-G11 PolarHBondContact O-N 3.29Å; A9-T12 HydrophobicContact CB-CG2 3.91Å; A9-T12 WeakPolarHBondContact O-CG2 3.33Å; A9-T12 PolarHBondContact O-N 3.15Å |
| 10 | V | 73 | Confident | 71.4 | Confident | 158 Ų | 158 | 114.3 Ų | 114.3 | 96% | 0.958 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 129.9 | -179.5 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | R8 | R8-V10 PolarHBondContact O-N 2.94Š|
| 11 | G | 73.3 | Confident | 71.9 | Confident | 83 Ų | 83 | 115 Ų | 115 | 86% | 0.856 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | 10.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A9 | A9-G11 PolarHBondContact O-N 3.29Š|
| 12 | T | 73.7 | Confident | 73.4 | Confident | 20 Ų | 20 | 111.4 Ų | 111.4 | 12% | 0.123 | 59% | 0.587 | C | S | . | * | trans | -130.5 | 133.7 | 173 | 171.1 | 0 | 0 | 0 | 0 | 113.6 | A9 G14 D16 R20 | A9-T12 HydrophobicContact CB-CG2 3.91Å; A9-T12 WeakPolarHBondContact O-CG2 3.33Å; A9-T12 PolarHBondContact O-N 3.15Å; T12-G14 PolarHBondContact OG1-N 3.19Å; T12-D16 PolarHBondContact OG1-OD1 3.24Å; T12-R20 PolarHBondContact OG1-NH2 2.92Å | ||
| 13 | D | 79.4 | Confident | 74.7 | Confident | 102 Ų | 102 | 109 Ų | 109 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | trans | -98.3 | 10.9 | 169.5 | 69.6 | -10.1 | 0 | 0 | 0 | 112.1 | R8 S15 | R8-D13 PolarHBondContact NH1-O 3.13Å; D13-S15 VanDerWaalsContact CG-OG 3.24Å; D13-S15 PolarHBondContact O-N 3.45Å; D13-S15 VanDerWaalsContact OD1-CB 3.24Å; D13-S15 WeakPolarHBondContact OD1-CB 3.48Å; D13-S15 PolarHBondContact OD1-N 3.41Å; D13-S15 PolarHBondContact OD1-OG 2.97Å; D13-S15 PolarHBondContact OD2-OG 3.33Å; D13-S15 VanDerWaalsContact OD2-OG 3.13Å | ||
| 14 | G | 77 | Confident | 75.5 | Confident | 36 Ų | 36 | 107.7 Ų | 107.7 | 37% | 0.371 | 56% | 0.555 | S | S | . | * | S | Bend | trans | 74.1 | -7.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T12 D16 | T12-G14 PolarHBondContact OG1-N 3.19Å; G14-D16 PolarHBondContact O-N 3.38Å |
| 15 | S | 80.1 | Confident | 76.5 | Confident | 79 Ų | 79 | 99.6 Ų | 99.6 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -21.6 | 175.2 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | D13 Y17 | D13-S15 VanDerWaalsContact CG-OG 3.24Å; D13-S15 PolarHBondContact O-N 3.45Å; D13-S15 VanDerWaalsContact OD1-CB 3.24Å; D13-S15 WeakPolarHBondContact OD1-CB 3.48Å; D13-S15 PolarHBondContact OD1-N 3.41Å; D13-S15 PolarHBondContact OD1-OG 2.97Å; D13-S15 PolarHBondContact OD2-OG 3.33Å; D13-S15 VanDerWaalsContact OD2-OG 3.13Å; S15-Y17 PolarHBondContact O-N 2.93Å |
| 16 | D | 79.1 | Confident | 77.2 | Confident | 43 Ų | 43 | 93.7 Ų | 93.7 | 23% | 0.23 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 6.4 | 178.5 | 71.9 | -31 | 0 | 0 | 0 | 114.4 | T12 G14 R18 H19 R20 | T12-D16 PolarHBondContact OG1-OD1 3.24Å; G14-D16 PolarHBondContact O-N 3.38Å; D16-R18 PolarHBondContact O-N 2.61Å; D16-R18 VanDerWaalsContact O-N 3.16Å; D16-H19 WeakPolarHBondContact O-CA 3.5Å; D16-H19 WeakPolarHBondContact O-CB 3.34Å; D16-H19 PolarHBondContact O-N 3.3Å; D16-R20 PolarHBondContact O-N 3.28Å; D16-R20 IonicContact OD1-CZ 3.68Å; D16-R20 IonicContact OD1-NE 3.2Å; D16-R20 PolarHBondContact OD1-NE 3.02Å; D16-R20 IonicContact OD1-NH2 3.9Å; D16-R20 IonicContact OD2-CZ 3.32Å; D16-R20 VanDerWaalsContact OD2-CZ 3.32Å; D16-R20 IonicContact OD2-NE 2.72Å; D16-R20 PolarHBondContact OD2-NE 3.33Å; D16-R20 IonicContact OD2-NH2 3.11Å; D16-R20 PolarHBondContact OD2-NH2 3.47Å; D16-R20 VanDerWaalsContact OD2-NH2 3.11Å |
| 17 | Y | 80.4 | Confident | 77.8 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -54.4 | -38 | -177.8 | 78.5 | -86.9 | 0 | 0 | 0 | 113.3 | S15 H19 R20 Q21 | S15-Y17 PolarHBondContact O-N 2.93Å; Y17-H19 VanDerWaalsContact C-N 3.33Å; Y17-H19 PolarHBondContact O-N 3.2Å; Y17-R20 PolarHBondContact O-N 3.09Å; Y17-Q21 WeakPolarHBondContact O-CB 3.08Å; Y17-Q21 WeakPolarHBondContact O-CG 3.28Å; Y17-Q21 PolarHBondContact O-N 3.42Å |
| 18 | R | 81.2 | Confident | 78.5 | Confident | 170 Ų | 170 | 101.1 Ų | 101.1 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 177.5 | -66.8 | -172.9 | 174.1 | -177.9 | -2.5 | 111.8 | D16 R22 | D16-R18 PolarHBondContact O-N 2.61Å; D16-R18 VanDerWaalsContact O-N 3.16Å; R18-R22 PolarHBondContact O-N 2.81Å |
| 19 | H | 79.2 | Confident | 79.5 | Confident | 114 Ų | 114 | 97.2 Ų | 97.2 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 175.8 | 179.5 | 80.7 | 0 | 0 | 0 | 110.1 | D16 Y17 Q21 R22 V23 | D16-H19 WeakPolarHBondContact O-CA 3.5Å; D16-H19 WeakPolarHBondContact O-CB 3.34Å; D16-H19 PolarHBondContact O-N 3.3Å; Y17-H19 VanDerWaalsContact C-N 3.33Å; Y17-H19 PolarHBondContact O-N 3.2Å; H19-Q21 PolarHBondContact O-N 3.1Å; H19-R22 PolarHBondContact O-N 2.95Å; H19-V23 WeakPolarHBondContact O-CG2 3.39Å; H19-V23 PolarHBondContact O-N 3.45Å |
| 20 | R | 79.7 | Confident | 80.4 | Confident | 116 Ų | 116 | 95 Ų | 95 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 176.7 | -66.8 | 175.8 | -179.4 | -143.1 | -20 | 112.9 | T12 D16 Y17 R22 V23 A24 | T12-R20 PolarHBondContact OG1-NH2 2.92Å; D16-R20 PolarHBondContact O-N 3.28Å; D16-R20 IonicContact OD1-CZ 3.68Å; D16-R20 IonicContact OD1-NE 3.2Å; D16-R20 PolarHBondContact OD1-NE 3.02Å; D16-R20 IonicContact OD1-NH2 3.9Å; D16-R20 IonicContact OD2-CZ 3.32Å; D16-R20 VanDerWaalsContact OD2-CZ 3.32Å; D16-R20 IonicContact OD2-NE 2.72Å; D16-R20 PolarHBondContact OD2-NE 3.33Å; D16-R20 IonicContact OD2-NH2 3.11Å; D16-R20 PolarHBondContact OD2-NH2 3.47Å; D16-R20 VanDerWaalsContact OD2-NH2 3.11Å; Y17-R20 PolarHBondContact O-N 3.09Å; R20-R22 PolarHBondContact O-N 3.39Å; R20-V23 PolarHBondContact O-N 3.39Å; R20-A24 VanDerWaalsContact O-CB 3.22Å; R20-A24 WeakPolarHBondContact O-CB 3.28Å; R20-A24 PolarHBondContact O-N 2.81Å |
| 21 | Q | 81.5 | Confident | 81.3 | Confident | 129 Ų | 129 | 90.2 Ų | 90.2 | 60% | 0.603 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 178.7 | -77.6 | 178.9 | -9 | 0 | 0 | 112.2 | Y17 H19 A24 S25 | Y17-Q21 WeakPolarHBondContact O-CB 3.08Å; Y17-Q21 WeakPolarHBondContact O-CG 3.28Å; Y17-Q21 PolarHBondContact O-N 3.42Å; H19-Q21 PolarHBondContact O-N 3.1Å; Q21-A24 PolarHBondContact O-N 3.31Å; Q21-S25 PolarHBondContact O-N 3.08Å; Q21-S25 VanDerWaalsContact O-N 3.13Å |
| 22 | R | 80.4 | Confident | 82.3 | Confident | 172 Ų | 172 | 89.1 Ų | 89.1 | 65% | 0.649 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.8 | -38.9 | 177.5 | -170.3 | -177 | -61.2 | 133.6 | 0.4 | 112.3 | R18 H19 R20 S25 | R18-R22 PolarHBondContact O-N 2.81Å; H19-R22 PolarHBondContact O-N 2.95Å; R20-R22 PolarHBondContact O-N 3.39Å; R22-S25 PolarHBondContact O-OG 2.87Å |
| 23 | V | 79.2 | Confident | 83.4 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 33% | 0.327 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.9 | -40.2 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | H19 R20 S25 H26 Y27 | H19-V23 WeakPolarHBondContact O-CG2 3.39Å; H19-V23 PolarHBondContact O-N 3.45Å; R20-V23 PolarHBondContact O-N 3.39Å; V23-S25 PolarHBondContact O-N 2.94Å; V23-H26 PolarHBondContact O-N 3.02Å; V23-Y27 HydrophobicContact CG1-CD2 3.7Å; V23-Y27 HydrophobicContact CG1-CE2 3.31Å; V23-Y27 WeakPolarHBondContact O-CD2 3.21Å; V23-Y27 PolarHBondContact O-N 3.34Å |
| 24 | A | 80.9 | Confident | 84.2 | Confident | 56 Ų | 56 | 86.7 Ų | 86.7 | 46% | 0.463 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R20 Q21 H26 Y27 R28 | R20-A24 VanDerWaalsContact O-CB 3.22Å; R20-A24 WeakPolarHBondContact O-CB 3.28Å; R20-A24 PolarHBondContact O-N 2.81Å; Q21-A24 PolarHBondContact O-N 3.31Å; A24-H26 PolarHBondContact O-N 3.4Å; A24-Y27 PolarHBondContact O-N 3.34Å; A24-R28 WeakPolarHBondContact O-CB 3.32Å; A24-R28 PolarHBondContact O-N 2.89Å |
| 25 | S | 81.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 92.5 Ų | 92.5 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.7 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | Q21 R22 V23 Y27 R28 D29 | Q21-S25 PolarHBondContact O-N 3.08Å; Q21-S25 VanDerWaalsContact O-N 3.13Å; R22-S25 PolarHBondContact O-OG 2.87Å; V23-S25 PolarHBondContact O-N 2.94Å; S25-Y27 PolarHBondContact O-N 2.93Å; S25-R28 PolarHBondContact O-N 3.2Å; S25-D29 WeakPolarHBondContact O-CB 3.31Å; S25-D29 PolarHBondContact O-N 2.85Å |
| 26 | H | 81.3 | Confident | 86 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 176.6 | -178.6 | -95.3 | 0 | 0 | 0 | 112.4 | V23 A24 D29 S30 A179 | V23-H26 PolarHBondContact O-N 3.02Å; A24-H26 PolarHBondContact O-N 3.4Å; H26-D29 PolarHBondContact O-N 3.43Å; H26-S30 WeakPolarHBondContact O-CB 3.49Å; H26-S30 PolarHBondContact O-N 3.2Å; H26-A179 PolarHBondContact CE1-O 3.47Å; H26-A179 PolarHBondContact NE2-O 3.39Å |
| 27 | Y | 84.2 | Confident | 86.9 | Confident | 160 Ų | 160 | 92.7 Ų | 92.7 | 63% | 0.627 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 177.4 | -73.7 | -63.3 | 0 | 0 | 0 | 112.5 | V23 A24 S25 S30 A31 | V23-Y27 HydrophobicContact CG1-CD2 3.7Å; V23-Y27 HydrophobicContact CG1-CE2 3.31Å; V23-Y27 WeakPolarHBondContact O-CD2 3.21Å; V23-Y27 PolarHBondContact O-N 3.34Å; A24-Y27 PolarHBondContact O-N 3.34Å; S25-Y27 PolarHBondContact O-N 2.93Å; Y27-S30 PolarHBondContact O-N 3.37Å; Y27-A31 WeakPolarHBondContact O-CB 3.36Å; Y27-A31 PolarHBondContact O-N 3.04Å |
| 28 | R | 87.3 | Confident | 87.7 | Confident | 161 Ų | 161 | 92 Ų | 92 | 61% | 0.608 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.8 | -47.3 | 177 | -172.6 | -163.4 | 69.3 | 139.6 | 3 | 111.1 | A24 S25 S30 A31 V32 | A24-R28 WeakPolarHBondContact O-CB 3.32Å; A24-R28 PolarHBondContact O-N 2.89Å; S25-R28 PolarHBondContact O-N 3.2Å; R28-S30 PolarHBondContact O-N 2.89Å; R28-A31 PolarHBondContact O-N 2.72Å; R28-V32 WeakPolarHBondContact O-CG2 3.34Å; R28-V32 PolarHBondContact O-N 2.68Å |
| 29 | D | 86.5 | Confident | 88.5 | Confident | 71 Ų | 71 | 87.2 Ų | 87.2 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | -178.5 | -67.8 | -8.2 | 0 | 0 | 0 | 111.3 | S25 H26 N33 | S25-D29 WeakPolarHBondContact O-CB 3.31Å; S25-D29 PolarHBondContact O-N 2.85Å; H26-D29 PolarHBondContact O-N 3.43Å; D29-N33 WeakPolarHBondContact O-CB 3.34Å; D29-N33 PolarHBondContact O-N 3.4Å; D29-N33 PolarHBondContact O-ND2 3.06Å |
| 30 | S | 89.5 | Confident | 89.5 | Confident | 14 Ų | 14 | 82.4 Ų | 82.4 | 10% | 0.098 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 172.2 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | H26 Y27 R28 N33 K34 L176 W180 | H26-S30 WeakPolarHBondContact O-CB 3.49Å; H26-S30 PolarHBondContact O-N 3.2Å; Y27-S30 PolarHBondContact O-N 3.37Å; R28-S30 PolarHBondContact O-N 2.89Å; S30-N33 PolarHBondContact O-N 2.91Å; S30-K34 WeakPolarHBondContact O-CB 3.47Å; S30-K34 VanDerWaalsContact O-CG 3.31Å; S30-K34 WeakPolarHBondContact O-CG 3.3Å; S30-K34 PolarHBondContact O-N 3Å; S30-L176 WeakPolarHBondContact O-CD2 3.32Å; S30-W180 PolarHBondContact OG-NE1 3.35Å |
| 31 | A | 92.4 | Very high | 90.4 | Very high | 59 Ų | 59 | 77 Ų | 77 | 49% | 0.488 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y27 R28 K34 Y35 | Y27-A31 WeakPolarHBondContact O-CB 3.36Å; Y27-A31 PolarHBondContact O-N 3.04Å; R28-A31 PolarHBondContact O-N 2.72Å; A31-K34 PolarHBondContact O-N 3.17Å; A31-Y35 PolarHBondContact O-N 3.18Å; A31-Y35 VanDerWaalsContact O-N 3.13Å |
| 32 | V | 94.4 | Very high | 91.2 | Very high | 59 Ų | 59 | 75.7 Ų | 75.7 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | R28 K34 Y35 R36 | R28-V32 WeakPolarHBondContact O-CG2 3.34Å; R28-V32 PolarHBondContact O-N 2.68Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 2.96Å; V32-Y35 PolarHBondContact O-N 3.33Å; V32-R36 WeakPolarHBondContact O-CG 3.22Å; V32-R36 PolarHBondContact O-N 3.25Å |
| 33 | N | 95.3 | Very high | 92 | Very high | 20 Ų | 20 | 71.7 Ų | 71.7 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.2 | -32.1 | 179.9 | -71 | -61.7 | 0 | 0 | 0 | 112.3 | D29 S30 R36 L37 K175 L176 | D29-N33 WeakPolarHBondContact O-CB 3.34Å; D29-N33 PolarHBondContact O-N 3.4Å; D29-N33 PolarHBondContact O-ND2 3.06Å; S30-N33 PolarHBondContact O-N 2.91Å; N33-R36 PolarHBondContact O-N 3.23Å; N33-L37 VanDerWaalsContact O-CB 3.3Å; N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 PolarHBondContact O-N 3.05Å; N33-K175 HydrophobicContact CB-CB 4.48Å; N33-K175 WeakPolarHBondContact OD1-CD 3Å; N33-L176 HydrophobicContact CB-CD1 4.46Å; N33-L176 HydrophobicContact CB-CD2 3.71Å; N33-L176 HydrophobicContact CB-CG 3.84Å |
| 34 | K | 96.3 | Very high | 93 | Very high | 52 Ų | 52 | 69.1 Ų | 69.1 | 23% | 0.226 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 171.4 | -81.1 | 178.2 | -179.8 | -175.9 | 0 | 111.6 | S30 A31 V32 L37 K38 I99 N102 L176 W180 | S30-K34 WeakPolarHBondContact O-CB 3.47Å; S30-K34 VanDerWaalsContact O-CG 3.31Å; S30-K34 WeakPolarHBondContact O-CG 3.3Å; S30-K34 PolarHBondContact O-N 3Å; A31-K34 PolarHBondContact O-N 3.17Å; V32-K34 VanDerWaalsContact C-N 3.34Å; V32-K34 PolarHBondContact O-N 2.96Å; K34-L37 PolarHBondContact O-N 3.17Å; K34-K38 WeakPolarHBondContact O-CG 3.39Å; K34-K38 PolarHBondContact O-N 2.81Å; K34-I99 HydrophobicContact CD-CG2 4.33Å; K34-I99 HydrophobicContact CG-CG2 4.29Å; K34-N102 WeakPolarHBondContact CE-OD1 3.39Å; K34-N102 PolarHBondContact NZ-OD1 3.31Å; K34-L176 HydrophobicContact CG-CD1 4.18Å; K34-L176 HydrophobicContact CG-CD2 3.81Å; K34-W180 HydrophobicContact CD-CZ2 4.21Å; K34-W180 HydrophobicContact CG-CZ2 3.81Å |
| 35 | Y | 97 | Very high | 93.8 | Very high | 157 Ų | 157 | 67.5 Ų | 67.5 | 62% | 0.616 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.4 | -48.1 | 178.2 | 173.8 | -106.6 | 0 | 0 | 0 | 111.5 | A31 V32 L37 K38 I39 | A31-Y35 PolarHBondContact O-N 3.18Å; A31-Y35 VanDerWaalsContact O-N 3.13Å; V32-Y35 PolarHBondContact O-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.21Å; Y35-K38 WeakPolarHBondContact O-CB 3.24Å; Y35-K38 PolarHBondContact O-N 3.01Å; Y35-I39 HydrophobicContact CD1-CD1 3.97Å; Y35-I39 HydrophobicContact CE1-CD1 3.35Å; Y35-I39 HydrophobicContact CE1-CG1 4.45Å; Y35-I39 HydrophobicContact CE2-CD1 4.04Å; Y35-I39 HydrophobicContact CE2-CG1 4.43Å; Y35-I39 PolarHBondContact O-N 2.84Å; Y35-I39 VanDerWaalsContact O-N 3.09Å |
| 36 | R | 98 | Very high | 94.6 | Very high | 127 Ų | 127 | 69.7 Ų | 69.7 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 177.7 | -69.1 | 175.3 | -178.7 | -127.6 | 1 | 112.4 | V32 N33 K38 I39 T40 F172 | V32-R36 WeakPolarHBondContact O-CG 3.22Å; V32-R36 PolarHBondContact O-N 3.25Å; N33-R36 PolarHBondContact O-N 3.23Å; R36-K38 VanDerWaalsContact C-N 3.34Å; R36-K38 PolarHBondContact O-N 3.32Å; R36-I39 PolarHBondContact O-N 3.41Å; R36-T40 PolarHBondContact O-N 3.22Å; R36-T40 PolarHBondContact O-OG1 2.88Å; R36-F172 HydrophobicContact CB-CD1 4.14Å; R36-F172 HydrophobicContact CB-CD2 3.78Å; R36-F172 HydrophobicContact CB-CE1 4.11Å; R36-F172 HydrophobicContact CB-CE2 3.73Å; R36-F172 HydrophobicContact CB-CG 4.01Å; R36-F172 HydrophobicContact CB-CZ 3.92Å; R36-F172 HydrophobicContact CG-CZ 4.37Å |
| 37 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 175.6 | -179.6 | 65.8 | 0 | 0 | 0 | 111.4 | N33 K34 Y35 I39 T40 L41 I99 I107 T169 F172 L176 | N33-L37 VanDerWaalsContact O-CB 3.3Å; N33-L37 WeakPolarHBondContact O-CB 3.49Å; N33-L37 PolarHBondContact O-N 3.05Å; K34-L37 PolarHBondContact O-N 3.17Å; Y35-L37 PolarHBondContact O-N 3.21Å; L37-I39 VanDerWaalsContact C-N 3.34Å; L37-I39 PolarHBondContact O-N 2.82Å; L37-T40 WeakPolarHBondContact CA-OG1 2.93Å; L37-T40 PolarHBondContact O-N 3.04Å; L37-T40 PolarHBondContact O-OG1 3.02Å; L37-L41 HydrophobicContact CD1-CD1 4.32Å; L37-L41 HydrophobicContact CD1-CG 4.25Å; L37-L41 HydrophobicContact CD2-CD1 4.47Å; L37-L41 HydrophobicContact CG-CD1 3.95Å; L37-L41 HydrophobicContact CG-CG 4.31Å; L37-L41 WeakPolarHBondContact O-CB 3.04Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 2.78Å; L37-I99 HydrophobicContact CD2-CD1 4.09Å; L37-I99 HydrophobicContact CD2-CG1 4.2Å; L37-I99 HydrophobicContact CG-CD1 4.49Å; L37-I107 HydrophobicContact CD2-CD1 3.71Å; L37-T169 HydrophobicContact CD1-CG2 3.56Å; L37-F172 HydrophobicContact CB-CB 4.11Å; L37-F172 HydrophobicContact CD1-CB 4.35Å; L37-L176 HydrophobicContact CB-CD1 4.02Å; L37-L176 HydrophobicContact CD2-CD1 3.56Å; L37-L176 HydrophobicContact CG-CD1 4.41Å |
| 38 | K | 98.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 59.4 Ų | 59.4 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 176.9 | -73.9 | -179.9 | -178.7 | -172.4 | 0 | 111.9 | K34 Y35 R36 L41 I42 I99 | K34-K38 WeakPolarHBondContact O-CG 3.39Å; K34-K38 PolarHBondContact O-N 2.81Å; Y35-K38 WeakPolarHBondContact O-CB 3.24Å; Y35-K38 PolarHBondContact O-N 3.01Å; R36-K38 VanDerWaalsContact C-N 3.34Å; R36-K38 PolarHBondContact O-N 3.32Å; K38-L41 PolarHBondContact O-N 3.26Å; K38-I42 VanDerWaalsContact O-CG1 3.3Å; K38-I42 WeakPolarHBondContact O-CG1 3.48Å; K38-I42 PolarHBondContact O-N 3.28Å; K38-I99 HydrophobicContact CG-CD1 3.81Å |
| 39 | I | 98.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 36% | 0.359 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 176.5 | -68.6 | 170.7 | 0 | 0 | 0 | 110.4 | Y35 R36 L37 L41 I42 M43 | Y35-I39 HydrophobicContact CD1-CD1 3.97Å; Y35-I39 HydrophobicContact CE1-CD1 3.35Å; Y35-I39 HydrophobicContact CE1-CG1 4.45Å; Y35-I39 HydrophobicContact CE2-CD1 4.04Å; Y35-I39 HydrophobicContact CE2-CG1 4.43Å; Y35-I39 PolarHBondContact O-N 2.84Å; Y35-I39 VanDerWaalsContact O-N 3.09Å; R36-I39 PolarHBondContact O-N 3.41Å; L37-I39 VanDerWaalsContact C-N 3.34Å; L37-I39 PolarHBondContact O-N 2.82Å; I39-L41 VanDerWaalsContact C-N 3.26Å; I39-L41 PolarHBondContact O-N 2.91Å; I39-I42 PolarHBondContact O-N 3.13Å; I39-I42 VanDerWaalsContact O-N 3.13Å; I39-M43 HydrophobicContact CG2-CG 4.28Å; I39-M43 WeakPolarHBondContact O-CG 3.36Å; I39-M43 PolarHBondContact O-N 3.23Å |
| 40 | T | 98.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.08 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -35.1 | -178.8 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | R36 L37 M43 H44 F168 T169 F172 | R36-T40 PolarHBondContact O-N 3.22Å; R36-T40 PolarHBondContact O-OG1 2.88Å; L37-T40 WeakPolarHBondContact CA-OG1 2.93Å; L37-T40 PolarHBondContact O-N 3.04Å; L37-T40 PolarHBondContact O-OG1 3.02Å; T40-M43 PolarHBondContact O-N 2.8Å; T40-H44 WeakPolarHBondContact O-CB 3.47Å; T40-H44 PolarHBondContact O-N 3.34Å; T40-F168 HydrophobicContact CG2-CB 3.98Å; T40-T169 VanDerWaalsContact CB-OG1 3.22Å; T40-T169 WeakPolarHBondContact CB-OG1 3.09Å; T40-T169 PolarHBondContact OG1-OG1 2.97Å; T40-F172 HydrophobicContact CG2-CD2 3.92Å; T40-F172 HydrophobicContact CG2-CE2 3.73Å |
| 41 | L | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 174.1 | -69.5 | 174.7 | 0 | 0 | 0 | 113 | L37 K38 I39 G45 V92 A95 M96 I99 T169 | L37-L41 HydrophobicContact CD1-CD1 4.32Å; L37-L41 HydrophobicContact CD1-CG 4.25Å; L37-L41 HydrophobicContact CD2-CD1 4.47Å; L37-L41 HydrophobicContact CG-CD1 3.95Å; L37-L41 HydrophobicContact CG-CG 4.31Å; L37-L41 WeakPolarHBondContact O-CB 3.04Å; L37-L41 WeakPolarHBondContact O-CG 3.39Å; L37-L41 PolarHBondContact O-N 2.78Å; K38-L41 PolarHBondContact O-N 3.26Å; I39-L41 VanDerWaalsContact C-N 3.26Å; I39-L41 PolarHBondContact O-N 2.91Å; L41-G45 PolarHBondContact O-N 3.47Å; L41-V92 HydrophobicContact CB-CG1 4.48Å; L41-V92 HydrophobicContact CD2-CG1 4.41Å; L41-V92 HydrophobicContact CD2-CG2 4.36Å; L41-A95 HydrophobicContact CD1-CB 3.62Å; L41-A95 HydrophobicContact CD2-CB 3.73Å; L41-A95 HydrophobicContact CG-CB 4.32Å; L41-M96 HydrophobicContact CB-SD 4.35Å; L41-M96 HydrophobicContact CD1-CG 3.98Å; L41-M96 HydrophobicContact CD1-SD 3.68Å; L41-I99 HydrophobicContact CD1-CD1 4.17Å; L41-T169 HydrophobicContact CD2-CG2 3.98Å |
| 42 | I | 98.6 | Very high | 97.7 | Very high | 102 Ų | 102 | 57.4 Ų | 57.4 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 173.5 | -69.5 | 164 | 0 | 0 | 0 | 109.9 | K38 I39 H44 G45 L46 | K38-I42 VanDerWaalsContact O-CG1 3.3Å; K38-I42 WeakPolarHBondContact O-CG1 3.48Å; K38-I42 PolarHBondContact O-N 3.28Å; I39-I42 PolarHBondContact O-N 3.13Å; I39-I42 VanDerWaalsContact O-N 3.13Å; I42-H44 VanDerWaalsContact C-N 3.35Å; I42-H44 PolarHBondContact O-N 2.92Å; I42-G45 CarbonylContact O-C 3.58Å; I42-G45 WeakPolarHBondContact O-CA 3.19Å; I42-G45 PolarHBondContact O-N 3.01Å; I42-G45 VanDerWaalsContact O-N 3.09Å; I42-L46 HydrophobicContact CG2-CD1 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.4Å; I42-L46 PolarHBondContact O-N 3.3Å |
| 43 | M | 98.6 | Very high | 97.8 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 177.7 | -64.4 | -61.9 | -71.4 | 0 | 0 | 111.8 | I39 T40 G45 L46 L47 I165 | I39-M43 HydrophobicContact CG2-CG 4.28Å; I39-M43 WeakPolarHBondContact O-CG 3.36Å; I39-M43 PolarHBondContact O-N 3.23Å; T40-M43 PolarHBondContact O-N 2.8Å; M43-G45 VanDerWaalsContact C-N 3.35Å; M43-L46 PolarHBondContact O-N 2.93Å; M43-L46 HydrophobicContact SD-CD1 4.3Å; M43-L47 PolarHBondContact O-N 3.37Å; M43-L47 VanDerWaalsContact O-N 3.11Å; M43-I165 HydrophobicContact CB-CD1 3.82Å; M43-I165 HydrophobicContact CB-CG1 4.25Å |
| 44 | H | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 170.8 | -168 | 158.2 | 0 | 0 | 0 | 110.3 | T40 I42 L46 L47 L48 W85 S88 V92 I165 H166 | T40-H44 WeakPolarHBondContact O-CB 3.47Å; T40-H44 PolarHBondContact O-N 3.34Å; I42-H44 VanDerWaalsContact C-N 3.35Å; I42-H44 PolarHBondContact O-N 2.92Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.42Å; H44-L47 PolarHBondContact O-N 3.15Å; H44-L47 VanDerWaalsContact O-N 3.15Å; H44-L48 PolarHBondContact O-N 2.94Å; H44-W85 AromaticContact CD2-CZ2 3.72Å; H44-W85 AromaticContact NE2-CZ2 3.59Å; H44-S88 PolarHBondContact NE2-OG 3.32Å; H44-V92 HydrophobicContact CB-CG2 4.33Å; H44-I165 HydrophobicContact CB-CG2 3.93Å; H44-H166 AromaticContact CE1-CD2 3.51Å; H44-H166 AromaticContact CE1-NE2 3.1Å; H44-H166 PolarHBondContact CE1-NE2 3.19Å; H44-H166 AromaticContact ND1-CD2 3.8Å; H44-H166 AromaticContact ND1-NE2 3.69Å; H44-H166 AromaticContact NE2-NE2 3.51Å |
| 45 | G | 98.5 | Very high | 97.7 | Very high | 21 Ų | 21 | 54.9 Ų | 54.9 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -54.9 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L41 I42 M43 L48 L49 | L41-G45 PolarHBondContact O-N 3.47Å; I42-G45 CarbonylContact O-C 3.58Å; I42-G45 WeakPolarHBondContact O-CA 3.19Å; I42-G45 PolarHBondContact O-N 3.01Å; I42-G45 VanDerWaalsContact O-N 3.09Å; M43-G45 VanDerWaalsContact C-N 3.35Å; G45-L48 WeakPolarHBondContact O-CB 3.44Å; G45-L48 PolarHBondContact O-N 2.68Å; G45-L49 WeakPolarHBondContact O-CG 3.45Å; G45-L49 PolarHBondContact O-N 2.88Å |
| 46 | L | 98.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 53.5 Ų | 53.5 | 52% | 0.518 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.3 | -68.4 | 174.4 | 0 | 0 | 0 | 112.2 | I42 M43 H44 L48 L49 L50 | I42-L46 HydrophobicContact CG2-CD1 4.44Å; I42-L46 WeakPolarHBondContact O-CG 3.4Å; I42-L46 PolarHBondContact O-N 3.3Å; M43-L46 PolarHBondContact O-N 2.93Å; M43-L46 HydrophobicContact SD-CD1 4.3Å; H44-L46 VanDerWaalsContact C-N 3.31Å; H44-L46 PolarHBondContact O-N 3.42Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L46-L49 PolarHBondContact O-N 3.23Å; L46-L50 PolarHBondContact O-N 3.03Å |
| 47 | L | 98.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 174.3 | -69.8 | -179 | 0 | 0 | 0 | 111.9 | M43 H44 L50 V51 W85 F158 I161 A162 I165 | M43-L47 PolarHBondContact O-N 3.37Å; M43-L47 VanDerWaalsContact O-N 3.11Å; H44-L47 PolarHBondContact O-N 3.15Å; H44-L47 VanDerWaalsContact O-N 3.15Å; L47-L50 PolarHBondContact O-N 3.08Å; L47-V51 PolarHBondContact O-N 3.35Å; L47-W85 HydrophobicContact CB-CH2 3.58Å; L47-W85 HydrophobicContact CB-CZ2 4.39Å; L47-W85 HydrophobicContact CB-CZ3 4.38Å; L47-F158 HydrophobicContact CB-CE2 4.16Å; L47-F158 HydrophobicContact CD1-CE2 4.38Å; L47-F158 HydrophobicContact CD2-CD2 4.11Å; L47-F158 HydrophobicContact CD2-CE2 3.94Å; L47-F158 HydrophobicContact CG-CE2 4.4Å; L47-I161 HydrophobicContact CD1-CG2 4.3Å; L47-A162 HydrophobicContact CD1-CB 4.16Å; L47-I165 HydrophobicContact CD1-CD1 3.52Å; L47-I165 HydrophobicContact CG-CD1 4.36Å |
| 48 | L | 98.5 | Very high | 97 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 172.9 | -83.8 | 167.2 | 0 | 0 | 0 | 111 | H44 G45 L46 L50 V51 A52 W85 L86 F89 V92 | H44-L48 PolarHBondContact O-N 2.94Å; G45-L48 WeakPolarHBondContact O-CB 3.44Å; G45-L48 PolarHBondContact O-N 2.68Å; L46-L48 VanDerWaalsContact C-N 3.34Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 3.46Å; L48-V51 PolarHBondContact O-N 3.49Å; L48-A52 WeakPolarHBondContact O-CB 3.21Å; L48-A52 PolarHBondContact O-N 3.43Å; L48-W85 HydrophobicContact CB-CZ3 4.49Å; L48-W85 HydrophobicContact CD2-CE3 4.11Å; L48-W85 HydrophobicContact CD2-CH2 4.11Å; L48-W85 HydrophobicContact CD2-CZ3 3.8Å; L48-W85 HydrophobicContact CG-CH2 3.95Å; L48-W85 HydrophobicContact CG-CZ3 4.06Å; L48-L86 HydrophobicContact CD2-CD2 3.82Å; L48-F89 HydrophobicContact CD1-CB 4.1Å; L48-F89 HydrophobicContact CD1-CD2 4.48Å; L48-V92 HydrophobicContact CD1-CG2 3.94Å |
| 49 | L | 98.3 | Very high | 96.7 | Very high | 119 Ų | 119 | 47.8 Ų | 47.8 | 62% | 0.623 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | 176.8 | -71.2 | 173.5 | 0 | 0 | 0 | 112.1 | G45 L46 A52 A53 | G45-L49 WeakPolarHBondContact O-CG 3.45Å; G45-L49 PolarHBondContact O-N 2.88Å; L46-L49 PolarHBondContact O-N 3.23Å; L49-A52 PolarHBondContact O-N 2.8Å; L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.16Å; L49-A53 PolarHBondContact O-N 3.38Å |
| 50 | L | 96.6 | Very high | 96.3 | Very high | 105 Ų | 105 | 45.9 Ų | 45.9 | 55% | 0.55 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -50.9 | 177.2 | -177.2 | 151.4 | 0 | 0 | 0 | 111.8 | L46 L47 L48 A53 K54 | L46-L50 PolarHBondContact O-N 3.03Å; L47-L50 PolarHBondContact O-N 3.08Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 3.46Å; L50-A53 PolarHBondContact O-N 3.33Å; L50-K54 PolarHBondContact O-N 3.46Å; L50-K54 VanDerWaalsContact O-N 3.16Å |
| 51 | V | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 178.4 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | L47 L48 A53 K54 V55 E82 W85 L86 F158 | L47-V51 PolarHBondContact O-N 3.35Å; L48-V51 PolarHBondContact O-N 3.49Å; V51-A53 VanDerWaalsContact C-N 3.33Å; V51-A53 PolarHBondContact O-N 3.23Å; V51-K54 PolarHBondContact O-N 3.22Å; V51-V55 HydrophobicContact CG1-CG2 4.23Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.48Å; V51-E82 HydrophobicContact CG1-CB 3.86Å; V51-E82 HydrophobicContact CG1-CG 4.2Å; V51-W85 HydrophobicContact CB-CE3 4.26Å; V51-W85 HydrophobicContact CB-CZ3 4.1Å; V51-W85 HydrophobicContact CG1-CE3 4.45Å; V51-W85 HydrophobicContact CG2-CE3 4.02Å; V51-W85 HydrophobicContact CG2-CZ3 3.77Å; V51-L86 HydrophobicContact CB-CD2 4.18Å; V51-L86 HydrophobicContact CG1-CD1 4.33Å; V51-L86 HydrophobicContact CG1-CD2 4.14Å; V51-L86 HydrophobicContact CG1-CG 4.06Å; V51-F158 HydrophobicContact CG2-CE2 3.79Å; V51-F158 HydrophobicContact CG2-CZ 3.74Å |
| 52 | A | 97.7 | Very high | 95.4 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L48 L49 V55 F56 L86 | L48-A52 WeakPolarHBondContact O-CB 3.21Å; L48-A52 PolarHBondContact O-N 3.43Å; L49-A52 PolarHBondContact O-N 2.8Å; A52-V55 PolarHBondContact O-N 3.34Å; A52-F56 WeakPolarHBondContact O-CB 3.47Å; A52-F56 PolarHBondContact O-N 2.94Å; A52-L86 HydrophobicContact CB-CD2 3.83Å |
| 53 | A | 95.4 | Very high | 95.1 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L49 L50 V51 F56 I57 | L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.16Å; L49-A53 PolarHBondContact O-N 3.38Å; L50-A53 PolarHBondContact O-N 3.33Å; V51-A53 VanDerWaalsContact C-N 3.33Å; V51-A53 PolarHBondContact O-N 3.23Å; A53-F56 PolarHBondContact O-N 3.49Å; A53-I57 VanDerWaalsContact O-CG1 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.32Å; A53-I57 PolarHBondContact O-N 2.95Å |
| 54 | K | 94.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 57 Ų | 57 | 9% | 0.087 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.3 | -53.3 | 173.5 | 174.6 | -178 | 176.9 | -74.6 | 0 | 111.2 | L50 V51 F56 I57 E58 P76 S77 E82 W155 | L50-K54 PolarHBondContact O-N 3.46Å; L50-K54 VanDerWaalsContact O-N 3.16Å; V51-K54 PolarHBondContact O-N 3.22Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.48Å; K54-I57 PolarHBondContact O-N 3.31Å; K54-E58 PolarHBondContact O-N 3.16Å; K54-P76 WeakPolarHBondContact CE-O 3.24Å; K54-P76 PolarHBondContact NZ-O 2.61Å; K54-S77 PolarHBondContact NZ-O 3.49Å; K54-E82 WeakPolarHBondContact CD-OE2 3.39Å; K54-E82 WeakPolarHBondContact CE-OE2 3.11Å; K54-E82 VanDerWaalsContact NZ-CD 3.32Å; K54-E82 IonicContact NZ-OE1 3.01Å; K54-E82 PolarHBondContact NZ-OE1 3.41Å; K54-E82 IonicContact NZ-OE2 2.81Å; K54-E82 PolarHBondContact NZ-OE2 3.37Å; K54-W155 HydrophobicContact CD-CH2 4.11Å |
| 55 | V | 95.8 | Very high | 94 | Very high | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | -179.6 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V51 A52 T59 V78 E82 Y83 L86 | V51-V55 HydrophobicContact CG1-CG2 4.23Å; V51-V55 WeakPolarHBondContact O-CG2 3.29Å; V51-V55 PolarHBondContact O-N 3.48Å; A52-V55 PolarHBondContact O-N 3.34Å; V55-T59 VanDerWaalsContact O-CB 3.3Å; V55-T59 WeakPolarHBondContact O-CB 3.33Å; V55-T59 PolarHBondContact O-N 2.98Å; V55-T59 PolarHBondContact O-OG1 3.29Å; V55-V78 HydrophobicContact CB-CG2 4.27Å; V55-V78 HydrophobicContact CG2-CG1 3.79Å; V55-V78 HydrophobicContact CG2-CG2 3.84Å; V55-E82 HydrophobicContact CG2-CB 4.49Å; V55-Y83 HydrophobicContact CG1-CD1 4.16Å; V55-Y83 HydrophobicContact CG1-CE1 3.49Å; V55-Y83 VanDerWaalsContact CG1-CE1 3.49Å; V55-L86 HydrophobicContact CB-CD1 4.28Å; V55-L86 HydrophobicContact CG1-CD1 4.45Å; V55-L86 HydrophobicContact CG2-CD1 3.92Å |
| 56 | F | 94.1 | Very high | 93.4 | Very high | 127 Ų | 127 | 62.9 Ų | 62.9 | 56% | 0.557 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.7 | -48.4 | 178.5 | -179.6 | -110.4 | 0 | 0 | 0 | 111.8 | A52 A53 K54 E58 T59 L60 | A52-F56 WeakPolarHBondContact O-CB 3.47Å; A52-F56 PolarHBondContact O-N 2.94Å; A53-F56 PolarHBondContact O-N 3.49Å; K54-F56 VanDerWaalsContact C-N 3.29Å; K54-F56 PolarHBondContact O-N 3.48Å; F56-E58 PolarHBondContact O-N 2.89Å; F56-T59 PolarHBondContact O-N 3.29Å; F56-L60 HydrophobicContact CD1-CD1 3.97Å; F56-L60 HydrophobicContact CD1-CG 4.5Å; F56-L60 HydrophobicContact CE1-CD1 3.47Å; F56-L60 VanDerWaalsContact CE1-CD1 3.47Å; F56-L60 HydrophobicContact CE1-CG 4.19Å; F56-L60 HydrophobicContact CE2-CD1 4.4Å; F56-L60 HydrophobicContact CE2-CD2 4.33Å; F56-L60 HydrophobicContact CE2-CG 4.3Å; F56-L60 HydrophobicContact CZ-CD1 3.71Å; F56-L60 HydrophobicContact CZ-CD2 4.18Å; F56-L60 HydrophobicContact CZ-CG 4.08Å; F56-L60 WeakPolarHBondContact O-CG 3.42Å; F56-L60 PolarHBondContact O-N 3.33Å |
| 57 | I | 93 | Very high | 92.9 | Very high | 30 Ų | 30 | 61 Ų | 61 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 178.1 | -64.9 | 164.5 | 0 | 0 | 0 | 110.5 | A53 K54 T59 L60 Q61 L70 L75 | A53-I57 VanDerWaalsContact O-CG1 3.29Å; A53-I57 WeakPolarHBondContact O-CG1 3.32Å; A53-I57 PolarHBondContact O-N 2.95Å; K54-I57 PolarHBondContact O-N 3.31Å; I57-T59 VanDerWaalsContact C-N 3.3Å; I57-T59 PolarHBondContact O-N 3.02Å; I57-L60 WeakPolarHBondContact O-CB 3.2Å; I57-L60 PolarHBondContact O-N 2.76Å; I57-Q61 WeakPolarHBondContact O-CG 3.3Å; I57-Q61 PolarHBondContact O-N 3.18Å; I57-L70 HydrophobicContact CD1-CD2 4.32Å; I57-L70 HydrophobicContact CG1-CD1 4.46Å; I57-L70 HydrophobicContact CG1-CD2 4.46Å; I57-L75 HydrophobicContact CB-CD1 3.63Å; I57-L75 HydrophobicContact CD1-CD1 4.05Å; I57-L75 HydrophobicContact CG1-CD1 4.46Å; I57-L75 HydrophobicContact CG2-CD1 3.47Å; I57-L75 VanDerWaalsContact CG2-CD1 3.47Å |
| 58 | E | 90.9 | Very high | 92.2 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 177.8 | -173.3 | 171.5 | 152.1 | 0 | 0 | 112 | K54 F56 Q61 R62 V78 | K54-E58 PolarHBondContact O-N 3.16Å; F56-E58 PolarHBondContact O-N 2.89Å; E58-Q61 PolarHBondContact O-N 3.45Å; E58-R62 WeakPolarHBondContact O-CB 3.39Å; E58-R62 VanDerWaalsContact O-CG 3.28Å; E58-R62 WeakPolarHBondContact O-CG 3.23Å; E58-R62 PolarHBondContact O-N 3.34Å; E58-R62 IonicContact OE1-CZ 3.27Å; E58-R62 VanDerWaalsContact OE1-CZ 3.27Å; E58-R62 IonicContact OE1-NE 3.3Å; E58-R62 PolarHBondContact OE1-NE 3.34Å; E58-R62 IonicContact OE1-NH2 2.61Å; E58-R62 PolarHBondContact OE1-NH2 3.03Å; E58-V78 HydrophobicContact CB-CG2 4.04Å; E58-V78 VanDerWaalsContact CD-CG2 3.46Å; E58-V78 HydrophobicContact CG-CG2 4.26Å; E58-V78 PolarHBondContact OE1-N 2.82Å; E58-V78 WeakPolarHBondContact OE2-CG2 3.4Å; E58-V78 PolarHBondContact OE2-N 3.4Å |
| 59 | T | 91 | Very high | 91.6 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | V55 F56 I57 R62 L63 | V55-T59 VanDerWaalsContact O-CB 3.3Å; V55-T59 WeakPolarHBondContact O-CB 3.33Å; V55-T59 PolarHBondContact O-N 2.98Å; V55-T59 PolarHBondContact O-OG1 3.29Å; F56-T59 PolarHBondContact O-N 3.29Å; I57-T59 VanDerWaalsContact C-N 3.3Å; I57-T59 PolarHBondContact O-N 3.02Å; T59-R62 PolarHBondContact O-N 3.01Å; T59-L63 HydrophobicContact CG2-CD1 3.96Å; T59-L63 HydrophobicContact CG2-CG 4.44Å; T59-L63 WeakPolarHBondContact O-CB 3.31Å; T59-L63 WeakPolarHBondContact O-CG 3.23Å; T59-L63 PolarHBondContact O-N 2.77Å |
| 60 | L | 91.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -41 | 174.8 | -70.8 | 179.2 | 0 | 0 | 0 | 112.3 | F56 I57 L63 S64 L65 C66 | F56-L60 HydrophobicContact CD1-CD1 3.97Å; F56-L60 HydrophobicContact CD1-CG 4.5Å; F56-L60 HydrophobicContact CE1-CD1 3.47Å; F56-L60 VanDerWaalsContact CE1-CD1 3.47Å; F56-L60 HydrophobicContact CE1-CG 4.19Å; F56-L60 HydrophobicContact CE2-CD1 4.4Å; F56-L60 HydrophobicContact CE2-CD2 4.33Å; F56-L60 HydrophobicContact CE2-CG 4.3Å; F56-L60 HydrophobicContact CZ-CD1 3.71Å; F56-L60 HydrophobicContact CZ-CD2 4.18Å; F56-L60 HydrophobicContact CZ-CG 4.08Å; F56-L60 WeakPolarHBondContact O-CG 3.42Å; F56-L60 PolarHBondContact O-N 3.33Å; I57-L60 WeakPolarHBondContact O-CB 3.2Å; I57-L60 PolarHBondContact O-N 2.76Å; L60-L63 PolarHBondContact O-N 3Å; L60-S64 PolarHBondContact O-N 2.84Å; L60-S64 VanDerWaalsContact O-N 3.15Å; L60-L65 HydrophobicContact CD2-CB 4.09Å; L60-L65 PolarHBondContact O-N 2.94Å; L60-C66 HydrophobicContact CB-CB 4.22Å; L60-C66 PolarHBondContact O-N 3.1Å |
| 61 | Q | 88.8 | Confident | 90.2 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175 | -71.8 | 175.3 | -10.1 | 0 | 0 | 111.1 | I57 E58 L63 S64 C66 L70 I73 | I57-Q61 WeakPolarHBondContact O-CG 3.3Å; I57-Q61 PolarHBondContact O-N 3.18Å; E58-Q61 PolarHBondContact O-N 3.45Å; Q61-L63 PolarHBondContact O-N 3.21Å; Q61-S64 PolarHBondContact O-N 3.45Å; Q61-C66 HydrophobicContact CG-CB 4.06Å; Q61-C66 VanDerWaalsContact CG-SG 3.59Å; Q61-L70 PolarHBondContact NE2-O 3.4Å; Q61-I73 PolarHBondContact NE2-O 2.95Å |
| 62 | R | 88 | Confident | 89.6 | Confident | 158 Ų | 158 | 73 Ų | 73 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.3 | -33.9 | 177.4 | -71.1 | 173.3 | -177.4 | -159.7 | 1.9 | 113.5 | E58 T59 S64 | E58-R62 WeakPolarHBondContact O-CB 3.39Å; E58-R62 VanDerWaalsContact O-CG 3.28Å; E58-R62 WeakPolarHBondContact O-CG 3.23Å; E58-R62 PolarHBondContact O-N 3.34Å; E58-R62 IonicContact OE1-CZ 3.27Å; E58-R62 VanDerWaalsContact OE1-CZ 3.27Å; E58-R62 IonicContact OE1-NE 3.3Å; E58-R62 PolarHBondContact OE1-NE 3.34Å; E58-R62 IonicContact OE1-NH2 2.61Å; E58-R62 PolarHBondContact OE1-NH2 3.03Å; T59-R62 PolarHBondContact O-N 3.01Å; R62-S64 VanDerWaalsContact C-N 3.29Å |
| 63 | L | 91.8 | Very high | 89 | Confident | 110 Ų | 110 | 74 Ų | 74 | 58% | 0.576 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0.3 | 177.2 | -66.7 | 175.9 | 0 | 0 | 0 | 113.4 | T59 L60 Q61 L65 | T59-L63 HydrophobicContact CG2-CD1 3.96Å; T59-L63 HydrophobicContact CG2-CG 4.44Å; T59-L63 WeakPolarHBondContact O-CB 3.31Å; T59-L63 WeakPolarHBondContact O-CG 3.23Å; T59-L63 PolarHBondContact O-N 2.77Å; L60-L63 PolarHBondContact O-N 3Å; Q61-L63 PolarHBondContact O-N 3.21Å; L63-L65 HydrophobicContact CB-CD1 4.1Å; L63-L65 HydrophobicContact CB-CG 4.05Å; L63-L65 HydrophobicContact CD1-CD1 4.36Å; L63-L65 PolarHBondContact O-N 3.41Å; L63-L65 VanDerWaalsContact O-N 3.13Å |
| 64 | S | 85.7 | Confident | 88.3 | Confident | 112 Ų | 112 | 80 Ų | 80 | 78% | 0.783 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 25.8 | -174.2 | -51.6 | 0 | 0 | 0 | 0 | 113.9 | L60 Q61 R62 | L60-S64 PolarHBondContact O-N 2.84Å; L60-S64 VanDerWaalsContact O-N 3.15Å; Q61-S64 PolarHBondContact O-N 3.45Å; R62-S64 VanDerWaalsContact C-N 3.29Å |
| 65 | L | 88.9 | Confident | 87.9 | Confident | 122 Ų | 122 | 81 Ų | 81 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | trans | -97.4 | 9.7 | 175.4 | -63.3 | 177.4 | 0 | 0 | 0 | 112 | L60 L63 | L60-L65 HydrophobicContact CD2-CB 4.09Å; L60-L65 PolarHBondContact O-N 2.94Å; L63-L65 HydrophobicContact CB-CD1 4.1Å; L63-L65 HydrophobicContact CB-CG 4.05Å; L63-L65 HydrophobicContact CD1-CD1 4.36Å; L63-L65 PolarHBondContact O-N 3.41Å; L63-L65 VanDerWaalsContact O-N 3.13Å | ||
| 66 | C | 86.9 | Confident | 87.5 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 15% | 0.149 | 41% | 0.414 | C | S | . | . | trans | -82.1 | 124.4 | -171.5 | -154.3 | 0 | 0 | 0 | 0 | 110.7 | L60 Q61 L70 | L60-C66 HydrophobicContact CB-CB 4.22Å; L60-C66 PolarHBondContact O-N 3.1Å; Q61-C66 HydrophobicContact CG-CB 4.06Å; Q61-C66 VanDerWaalsContact CG-SG 3.59Å; C66-L70 WeakPolarHBondContact SG-CB 3.12Å | ||
| 67 | P | 86.8 | Confident | 87.2 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 38% | 0.377 | 41% | 0.408 | S | S | . | . | trans | -62.8 | 151.4 | 173 | 27.1 | -34.5 | 0 | 0 | 0 | 110.9 | F69 L70 S71 | P67-F69 HydrophobicContact CB-CD1 3.86Å; P67-F69 HydrophobicContact CB-CE1 3.97Å; P67-F69 HydrophobicContact CG-CD1 3.77Å; P67-F69 HydrophobicContact CG-CE1 3.45Å; P67-F69 VanDerWaalsContact CG-CE1 3.45Å; P67-F69 HydrophobicContact CG-CZ 4.36Å; P67-F69 PolarHBondContact O-N 3.09Å; P67-L70 HydrophobicContact CG-CB 4.25Å; P67-L70 HydrophobicContact CG-CD1 3.77Å; P67-L70 HydrophobicContact CG-CG 4.03Å; P67-L70 PolarHBondContact O-N 3.22Å; P67-S71 PolarHBondContact O-N 2.82Å | ||
| 68 | D | 84.9 | Confident | 87.2 | Confident | 130 Ų | 130 | 77.2 Ų | 77.2 | 70% | 0.695 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -54.4 | -32.6 | -173 | -65.2 | -27.5 | 0 | 0 | 0 | 113.7 | L70 S71 H72 | D68-L70 VanDerWaalsContact C-N 3.29Å; D68-L70 PolarHBondContact O-N 3.09Å; D68-S71 PolarHBondContact O-N 3.48Å; D68-S71 PolarHBondContact O-OG 3.44Å; D68-H72 PolarHBondContact O-CE1 3.02Å; D68-H72 PolarHBondContact O-ND1 3.11Å |
| 69 | F | 85.8 | Confident | 87.3 | Confident | 149 Ų | 149 | 78.7 Ų | 78.7 | 65% | 0.654 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.7 | -31 | 178.4 | 85.6 | -91.9 | 0 | 0 | 0 | 113.1 | P67 | P67-F69 HydrophobicContact CB-CD1 3.86Å; P67-F69 HydrophobicContact CB-CE1 3.97Å; P67-F69 HydrophobicContact CG-CD1 3.77Å; P67-F69 HydrophobicContact CG-CE1 3.45Å; P67-F69 VanDerWaalsContact CG-CE1 3.45Å; P67-F69 HydrophobicContact CG-CZ 4.36Å; P67-F69 PolarHBondContact O-N 3.09Å |
| 70 | L | 83.9 | Confident | 87.5 | Confident | 24 Ų | 24 | 83.8 Ų | 83.8 | 13% | 0.126 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -88.4 | -22.3 | -179.9 | -70.7 | 179.7 | 0 | 0 | 0 | 112.5 | I57 Q61 C66 P67 D68 H72 I73 | I57-L70 HydrophobicContact CD1-CD2 4.32Å; I57-L70 HydrophobicContact CG1-CD1 4.46Å; I57-L70 HydrophobicContact CG1-CD2 4.46Å; Q61-L70 PolarHBondContact NE2-O 3.4Å; C66-L70 WeakPolarHBondContact SG-CB 3.12Å; P67-L70 HydrophobicContact CG-CB 4.25Å; P67-L70 HydrophobicContact CG-CD1 3.77Å; P67-L70 HydrophobicContact CG-CG 4.03Å; P67-L70 PolarHBondContact O-N 3.22Å; D68-L70 VanDerWaalsContact C-N 3.29Å; D68-L70 PolarHBondContact O-N 3.09Å; L70-H72 PolarHBondContact O-N 3.44Å; L70-I73 HydrophobicContact CD2-CD1 3.58Å; L70-I73 PolarHBondContact O-N 3.27Å |
| 71 | S | 82.4 | Confident | 87.7 | Confident | 62 Ų | 62 | 83.2 Ų | 83.2 | 43% | 0.434 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.8 | -26.2 | 179 | 66.5 | 0 | 0 | 0 | 0 | 112.7 | P67 D68 I73 | P67-S71 PolarHBondContact O-N 2.82Å; D68-S71 PolarHBondContact O-N 3.48Å; D68-S71 PolarHBondContact O-OG 3.44Å; S71-I73 VanDerWaalsContact C-N 3.32Å |
| 72 | H | 83.3 | Confident | 88.2 | Confident | 151 Ų | 151 | 80.3 Ų | 80.3 | 70% | 0.699 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.5 | 176.7 | -63.9 | 84.9 | 0 | 0 | 0 | 113.4 | D68 L70 Q74 | D68-H72 PolarHBondContact O-CE1 3.02Å; D68-H72 PolarHBondContact O-ND1 3.11Å; L70-H72 PolarHBondContact O-N 3.44Å; H72-Q74 PolarHBondContact O-N 3.07Å |
| 73 | I | 84.9 | Confident | 88.6 | Confident | 57 Ų | 57 | 77 Ų | 77 | 29% | 0.292 | 40% | 0.401 | S | S | . | . | trans | -78.7 | 107 | -178.6 | -52.8 | -177.3 | 0 | 0 | 0 | 108.6 | Q61 L70 S71 L75 | Q61-I73 PolarHBondContact NE2-O 2.95Å; L70-I73 HydrophobicContact CD2-CD1 3.58Å; L70-I73 PolarHBondContact O-N 3.27Å; S71-I73 VanDerWaalsContact C-N 3.32Å; I73-L75 HydrophobicContact CG2-CD1 4.46Å; I73-L75 HydrophobicContact CG2-CD2 4.18Å; I73-L75 HydrophobicContact CG2-CG 3.87Å; I73-L75 PolarHBondContact O-N 2.83Å | ||
| 74 | Q | 82.4 | Confident | 88.9 | Confident | 175 Ų | 175 | 75.4 Ų | 75.4 | 82% | 0.818 | 39% | 0.388 | S | S | * | . | trans | -79.2 | 93.1 | 171.6 | -65.5 | 179.4 | -9.1 | 0 | 0 | 109.1 | H72 F146 | H72-Q74 PolarHBondContact O-N 3.07Å; Q74-F146 WeakPolarHBondContact O-CD2 3.5Å; Q74-F146 WeakPolarHBondContact O-CE2 3.42Å | ||
| 75 | L | 86.1 | Confident | 89.5 | Confident | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 147.6 | 172.8 | -72.3 | 164.5 | 0 | 0 | 0 | 110.2 | I57 I73 F146 | I57-L75 HydrophobicContact CB-CD1 3.63Å; I57-L75 HydrophobicContact CD1-CD1 4.05Å; I57-L75 HydrophobicContact CG1-CD1 4.46Å; I57-L75 HydrophobicContact CG2-CD1 3.47Å; I57-L75 VanDerWaalsContact CG2-CD1 3.47Å; I73-L75 HydrophobicContact CG2-CD1 4.46Å; I73-L75 HydrophobicContact CG2-CD2 4.18Å; I73-L75 HydrophobicContact CG2-CG 3.87Å; I73-L75 PolarHBondContact O-N 2.83Å; L75-F146 HydrophobicContact CD2-CE2 4.17Å; L75-F146 HydrophobicContact CD2-CZ 4.47Å |
| 76 | P | 87.3 | Confident | 90 | Very high | 14 Ų | 14 | 66 Ų | 66 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 146.9 | 172 | 26.7 | -31 | 0 | 0 | 0 | 110.4 | K54 E144 V151 | K54-P76 WeakPolarHBondContact CE-O 3.24Å; K54-P76 PolarHBondContact NZ-O 2.61Å; P76-E144 WeakPolarHBondContact CA-OE1 3.39Å; P76-E144 VanDerWaalsContact CB-CD 3.43Å; P76-E144 HydrophobicContact CB-CG 4.45Å; P76-E144 VanDerWaalsContact CB-OE1 3.28Å; P76-E144 WeakPolarHBondContact CB-OE1 3.24Å; P76-E144 WeakPolarHBondContact CB-OE2 3.34Å; P76-V151 HydrophobicContact CB-CG1 3.96Å; P76-V151 HydrophobicContact CB-CG2 4.08Å; P76-V151 HydrophobicContact CG-CG1 4.31Å; P76-V151 HydrophobicContact CG-CG2 4.43Å |
| 77 | S | 87.5 | Confident | 90.5 | Very high | 60 Ų | 60 | 68 Ų | 68 | 42% | 0.42 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 145.9 | -174.9 | 63 | 0 | 0 | 0 | 0 | 112.9 | K54 N79 E144 | K54-S77 PolarHBondContact NZ-O 3.49Å; S77-N79 PolarHBondContact O-N 3.23Å; S77-E144 PolarHBondContact N-OE1 2.87Å |
| 78 | V | 92.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 65.2 Ų | 65.2 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 120.8 | 176 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | V55 E58 E82 Y83 | V55-V78 HydrophobicContact CB-CG2 4.27Å; V55-V78 HydrophobicContact CG2-CG1 3.79Å; V55-V78 HydrophobicContact CG2-CG2 3.84Å; E58-V78 HydrophobicContact CB-CG2 4.04Å; E58-V78 VanDerWaalsContact CD-CG2 3.46Å; E58-V78 HydrophobicContact CG-CG2 4.26Å; E58-V78 PolarHBondContact OE1-N 2.82Å; E58-V78 WeakPolarHBondContact OE2-CG2 3.4Å; E58-V78 PolarHBondContact OE2-N 3.4Å; V78-E82 HydrophobicContact CG1-CB 4.09Å; V78-Y83 HydrophobicContact CB-CE2 4.25Å; V78-Y83 HydrophobicContact CG1-CD2 3.91Å; V78-Y83 HydrophobicContact CG1-CE1 4.24Å; V78-Y83 HydrophobicContact CG1-CE2 3.3Å; V78-Y83 VanDerWaalsContact CG1-CZ 3.49Å |
| 79 | N | 93 | Very high | 91.7 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -85 | 153.2 | 174.6 | -63.9 | -68.7 | 0 | 0 | 0 | 111.8 | S77 W81 E82 | S77-N79 PolarHBondContact O-N 3.23Å; N79-W81 VanDerWaalsContact C-N 3.26Å; N79-W81 HydrophobicContact CB-CG 4.29Å; N79-W81 VanDerWaalsContact CB-NE1 3.29Å; N79-W81 PolarHBondContact O-N 3.1Å; N79-E82 HydrophobicContact CB-CG 4.41Å; N79-E82 PolarHBondContact N-OE1 3.49Å; N79-E82 PolarHBondContact ND2-OE1 2.83Å; N79-E82 WeakPolarHBondContact O-CB 3.41Å; N79-E82 PolarHBondContact O-N 2.9Å |
| 80 | F | 94.9 | Very high | 92.3 | Very high | 160 Ų | 160 | 60.8 Ų | 60.8 | 70% | 0.702 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -55.1 | -39.9 | 178.8 | 176.2 | -105.2 | 0 | 0 | 0 | 113.6 | E82 Y83 W84 | F80-E82 PolarHBondContact O-N 3.22Å; F80-Y83 PolarHBondContact O-N 3.16Å; F80-W84 HydrophobicContact CE1-CE3 4.24Å; F80-W84 PolarHBondContact O-N 3.41Å |
| 81 | W | 96.7 | Very high | 92.9 | Very high | 19 Ų | 19 | 59.7 Ų | 59.7 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -25.7 | -178.7 | 70.3 | -99 | 0 | 0 | 0 | 112.7 | N79 W84 W85 I122 A125 W155 F158 F159 | N79-W81 VanDerWaalsContact C-N 3.26Å; N79-W81 HydrophobicContact CB-CG 4.29Å; N79-W81 VanDerWaalsContact CB-NE1 3.29Å; N79-W81 PolarHBondContact O-N 3.1Å; W81-W84 PolarHBondContact O-N 3.46Å; W81-W85 HydrophobicContact CE3-CB 4.31Å; W81-W85 VanDerWaalsContact O-CB 3.23Å; W81-W85 WeakPolarHBondContact O-CB 3.37Å; W81-W85 PolarHBondContact O-N 3.32Å; W81-I122 HydrophobicContact CZ3-CG2 4.45Å; W81-A125 HydrophobicContact CB-CB 3.93Å; W81-A125 HydrophobicContact CD2-CB 3.63Å; W81-A125 HydrophobicContact CE3-CB 4.25Å; W81-A125 HydrophobicContact CG-CB 3.44Å; W81-A125 VanDerWaalsContact CG-CB 3.44Å; W81-W155 HydrophobicContact CH2-CD2 4.42Å; W81-W155 AromaticContact CH2-CE3 3.61Å; W81-W155 HydrophobicContact CH2-CE3 3.61Å; W81-W155 HydrophobicContact CH2-CH2 4.02Å; W81-W155 AromaticContact CH2-CZ3 3.4Å; W81-W155 HydrophobicContact CH2-CZ3 3.4Å; W81-W155 AromaticContact CZ2-CD2 3.86Å; W81-W155 HydrophobicContact CZ2-CD2 3.86Å; W81-W155 AromaticContact CZ2-CE3 3.51Å; W81-W155 HydrophobicContact CZ2-CE3 3.51Å; W81-W155 AromaticContact CZ2-CH2 3.82Å; W81-W155 HydrophobicContact CZ2-CH2 3.82Å; W81-W155 HydrophobicContact CZ2-CZ2 4.13Å; W81-W155 AromaticContact CZ2-CZ3 3.52Å; W81-W155 HydrophobicContact CZ2-CZ3 3.52Å; W81-F158 HydrophobicContact CH2-CD1 4.1Å; W81-F158 AromaticContact CH2-CE1 3.85Å; W81-F158 HydrophobicContact CH2-CE1 3.85Å; W81-F158 HydrophobicContact CZ3-CD1 4.47Å; W81-F158 AromaticContact CZ3-CE1 3.82Å; W81-F158 HydrophobicContact CZ3-CE1 3.82Å; W81-F159 HydrophobicContact CD2-CE1 4.46Å; W81-F159 HydrophobicContact CE3-CE1 4.33Å; W81-F159 AromaticContact CH2-CE1 3.59Å; W81-F159 HydrophobicContact CH2-CE1 3.59Å; W81-F159 HydrophobicContact CH2-CZ 4.25Å; W81-F159 AromaticContact CZ2-CE1 3.69Å; W81-F159 HydrophobicContact CZ2-CE1 3.69Å; W81-F159 AromaticContact CZ2-CZ 3.87Å; W81-F159 HydrophobicContact CZ2-CZ 3.87Å; W81-F159 AromaticContact CZ3-CE1 3.93Å; W81-F159 HydrophobicContact CZ3-CE1 3.93Å |
| 82 | E | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 177.5 | -65.6 | 174.7 | -117.3 | 0 | 0 | 110.6 | V51 K54 V55 V78 N79 F80 W84 W85 L86 W155 | V51-E82 HydrophobicContact CG1-CB 3.86Å; V51-E82 HydrophobicContact CG1-CG 4.2Å; K54-E82 WeakPolarHBondContact CD-OE2 3.39Å; K54-E82 WeakPolarHBondContact CE-OE2 3.11Å; K54-E82 VanDerWaalsContact NZ-CD 3.32Å; K54-E82 IonicContact NZ-OE1 3.01Å; K54-E82 PolarHBondContact NZ-OE1 3.41Å; K54-E82 IonicContact NZ-OE2 2.81Å; K54-E82 PolarHBondContact NZ-OE2 3.37Å; V55-E82 HydrophobicContact CG2-CB 4.49Å; V78-E82 HydrophobicContact CG1-CB 4.09Å; N79-E82 HydrophobicContact CB-CG 4.41Å; N79-E82 PolarHBondContact N-OE1 3.49Å; N79-E82 PolarHBondContact ND2-OE1 2.83Å; N79-E82 WeakPolarHBondContact O-CB 3.41Å; N79-E82 PolarHBondContact O-N 2.9Å; F80-E82 PolarHBondContact O-N 3.22Å; E82-W84 VanDerWaalsContact C-N 3.35Å; E82-W84 PolarHBondContact O-N 2.81Å; E82-W85 PolarHBondContact O-N 2.85Å; E82-L86 WeakPolarHBondContact O-CG 3.1Å; E82-L86 PolarHBondContact O-N 3.43Å; E82-W155 HydrophobicContact CG-CH2 4.24Å |
| 83 | Y | 97.1 | Very high | 94.4 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.3 | -64.5 | -72.8 | 0 | 0 | 0 | 111.7 | V55 V78 F80 W85 L86 C87 | V55-Y83 HydrophobicContact CG1-CD1 4.16Å; V55-Y83 HydrophobicContact CG1-CE1 3.49Å; V55-Y83 VanDerWaalsContact CG1-CE1 3.49Å; V78-Y83 HydrophobicContact CB-CE2 4.25Å; V78-Y83 HydrophobicContact CG1-CD2 3.91Å; V78-Y83 HydrophobicContact CG1-CE1 4.24Å; V78-Y83 HydrophobicContact CG1-CE2 3.3Å; V78-Y83 VanDerWaalsContact CG1-CZ 3.49Å; F80-Y83 PolarHBondContact O-N 3.16Å; Y83-W85 VanDerWaalsContact C-N 3.34Å; Y83-W85 PolarHBondContact O-N 3.31Å; Y83-L86 PolarHBondContact O-N 3.36Å; Y83-C87 PolarHBondContact O-N 3.46Å |
| 84 | W | 98.2 | Very high | 95 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 30% | 0.295 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177 | -174.8 | 5.8 | 0 | 0 | 0 | 111.1 | F80 W81 E82 L86 C87 M120 P121 | F80-W84 HydrophobicContact CE1-CE3 4.24Å; F80-W84 PolarHBondContact O-N 3.41Å; W81-W84 PolarHBondContact O-N 3.46Å; E82-W84 VanDerWaalsContact C-N 3.35Å; E82-W84 PolarHBondContact O-N 2.81Å; W84-L86 PolarHBondContact O-N 3.1Å; W84-C87 VanDerWaalsContact O-CB 3.3Å; W84-C87 WeakPolarHBondContact O-CB 3.24Å; W84-C87 PolarHBondContact O-N 3.33Å; W84-M120 HydrophobicContact CH2-CE 3.66Å; W84-M120 HydrophobicContact CH2-CG 4.22Å; W84-M120 HydrophobicContact CH2-SD 3.58Å; W84-M120 VanDerWaalsContact CH2-SD 3.58Å; W84-M120 HydrophobicContact CZ2-CE 4.19Å; W84-M120 HydrophobicContact CZ2-CG 4.34Å; W84-M120 HydrophobicContact CZ2-SD 3.52Å; W84-M120 VanDerWaalsContact CZ2-SD 3.52Å; W84-P121 HydrophobicContact CB-CB 4.31Å; W84-P121 HydrophobicContact CB-CG 4.32Å; W84-P121 HydrophobicContact CD2-CB 3.96Å; W84-P121 HydrophobicContact CD2-CG 3.62Å; W84-P121 HydrophobicContact CE3-CB 4.11Å; W84-P121 HydrophobicContact CE3-CG 4.2Å; W84-P121 HydrophobicContact CG-CB 4.06Å; W84-P121 HydrophobicContact CG-CG 3.65Å; W84-P121 HydrophobicContact CZ2-CG 4.41Å |
| 85 | W | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | 179.1 | -170.3 | 71.3 | 0 | 0 | 0 | 112.8 | H44 L47 L48 V51 W81 E82 Y83 C87 S88 G118 P121 I122 F158 H166 | H44-W85 AromaticContact CD2-CZ2 3.72Å; H44-W85 AromaticContact NE2-CZ2 3.59Å; L47-W85 HydrophobicContact CB-CH2 3.58Å; L47-W85 HydrophobicContact CB-CZ2 4.39Å; L47-W85 HydrophobicContact CB-CZ3 4.38Å; L48-W85 HydrophobicContact CB-CZ3 4.49Å; L48-W85 HydrophobicContact CD2-CE3 4.11Å; L48-W85 HydrophobicContact CD2-CH2 4.11Å; L48-W85 HydrophobicContact CD2-CZ3 3.8Å; L48-W85 HydrophobicContact CG-CH2 3.95Å; L48-W85 HydrophobicContact CG-CZ3 4.06Å; V51-W85 HydrophobicContact CB-CE3 4.26Å; V51-W85 HydrophobicContact CB-CZ3 4.1Å; V51-W85 HydrophobicContact CG1-CE3 4.45Å; V51-W85 HydrophobicContact CG2-CE3 4.02Å; V51-W85 HydrophobicContact CG2-CZ3 3.77Å; W81-W85 HydrophobicContact CE3-CB 4.31Å; W81-W85 VanDerWaalsContact O-CB 3.23Å; W81-W85 WeakPolarHBondContact O-CB 3.37Å; W81-W85 PolarHBondContact O-N 3.32Å; E82-W85 PolarHBondContact O-N 2.85Å; Y83-W85 VanDerWaalsContact C-N 3.34Å; Y83-W85 PolarHBondContact O-N 3.31Å; W85-C87 PolarHBondContact O-N 3.15Å; W85-S88 WeakPolarHBondContact O-CB 3.12Å; W85-S88 PolarHBondContact O-N 3.34Å; W85-S88 PolarHBondContact O-OG 3.31Å; W85-G118 PolarHBondContact NE1-O 2.9Å; W85-G118 VanDerWaalsContact NE1-O 3.1Å; W85-P121 HydrophobicContact CB-CB 4.07Å; W85-I122 HydrophobicContact CG-CG2 4.18Å; W85-F158 HydrophobicContact CD2-CZ 4.39Å; W85-F158 HydrophobicContact CE3-CZ 4.1Å; W85-F158 HydrophobicContact CH2-CE2 4.49Å; W85-F158 AromaticContact CH2-CZ 3.97Å; W85-F158 HydrophobicContact CH2-CZ 3.97Å; W85-F158 HydrophobicContact CZ2-CZ 4.25Å; W85-F158 HydrophobicContact CZ3-CE2 4.48Å; W85-F158 AromaticContact CZ3-CZ 3.86Å; W85-F158 HydrophobicContact CZ3-CZ 3.86Å; W85-H166 AromaticContact CE2-CE1 3.87Å; W85-H166 AromaticContact CZ2-CE1 3.89Å; W85-H166 AromaticContact NE1-CE1 3.23Å; W85-H166 PolarHBondContact NE1-CE1 3.24Å; W85-H166 AromaticContact NE1-NE2 3.4Å; W85-H166 PolarHBondContact NE1-NE2 3Å |
| 86 | L | 98.5 | Very high | 96.3 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -28.5 | 175.1 | -78.7 | 176.5 | 0 | 0 | 0 | 113.3 | L48 V51 A52 V55 E82 Y83 W84 S88 F89 | L48-L86 HydrophobicContact CD2-CD2 3.82Å; V51-L86 HydrophobicContact CB-CD2 4.18Å; V51-L86 HydrophobicContact CG1-CD1 4.33Å; V51-L86 HydrophobicContact CG1-CD2 4.14Å; V51-L86 HydrophobicContact CG1-CG 4.06Å; A52-L86 HydrophobicContact CB-CD2 3.83Å; V55-L86 HydrophobicContact CB-CD1 4.28Å; V55-L86 HydrophobicContact CG1-CD1 4.45Å; V55-L86 HydrophobicContact CG2-CD1 3.92Å; E82-L86 WeakPolarHBondContact O-CG 3.1Å; E82-L86 PolarHBondContact O-N 3.43Å; Y83-L86 PolarHBondContact O-N 3.36Å; W84-L86 PolarHBondContact O-N 3.1Å; L86-S88 PolarHBondContact O-N 2.85Å; L86-S88 VanDerWaalsContact O-N 3.1Å; L86-F89 WeakPolarHBondContact O-CB 3.29Å; L86-F89 PolarHBondContact O-N 3.15Å; L86-F89 VanDerWaalsContact O-N 3.09Å |
| 87 | C | 98.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 43% | 0.432 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.6 | 173.1 | -64.8 | 0 | 0 | 0 | 0 | 112.9 | Y83 W84 W85 F89 V90 L117 | Y83-C87 PolarHBondContact O-N 3.46Å; W84-C87 VanDerWaalsContact O-CB 3.3Å; W84-C87 WeakPolarHBondContact O-CB 3.24Å; W84-C87 PolarHBondContact O-N 3.33Å; W85-C87 PolarHBondContact O-N 3.15Å; C87-F89 PolarHBondContact O-N 2.95Å; C87-F89 VanDerWaalsContact O-N 3.09Å; C87-V90 PolarHBondContact O-N 3.31Å; C87-V90 VanDerWaalsContact O-N 3.11Å; C87-L117 HydrophobicContact CB-CD1 4.24Å; C87-L117 HydrophobicContact CB-CD2 4.33Å |
| 88 | S | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.8 | 173.4 | 68.7 | 0 | 0 | 0 | 0 | 114.1 | H44 W85 L86 V90 A91 V92 L117 | H44-S88 PolarHBondContact NE2-OG 3.32Å; W85-S88 WeakPolarHBondContact O-CB 3.12Å; W85-S88 PolarHBondContact O-N 3.34Å; W85-S88 PolarHBondContact O-OG 3.31Å; L86-S88 PolarHBondContact O-N 2.85Å; L86-S88 VanDerWaalsContact O-N 3.1Å; S88-V90 PolarHBondContact O-N 3.25Å; S88-A91 WeakPolarHBondContact O-CA 3.44Å; S88-A91 WeakPolarHBondContact O-CB 3.42Å; S88-A91 PolarHBondContact O-N 2.94Å; S88-V92 PolarHBondContact O-N 2.86Å; S88-V92 VanDerWaalsContact O-N 3.15Å; S88-L117 WeakPolarHBondContact CB-O 3.42Å |
| 89 | F | 98.2 | Very high | 97.2 | Very high | 113 Ų | 113 | 45.5 Ų | 45.5 | 50% | 0.496 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -51.6 | -39 | 167 | 175.4 | -110.4 | 0 | 0 | 0 | 112.5 | L48 L86 C87 A91 V92 L93 | L48-F89 HydrophobicContact CD1-CB 4.1Å; L48-F89 HydrophobicContact CD1-CD2 4.48Å; L86-F89 WeakPolarHBondContact O-CB 3.29Å; L86-F89 PolarHBondContact O-N 3.15Å; L86-F89 VanDerWaalsContact O-N 3.09Å; C87-F89 PolarHBondContact O-N 2.95Å; C87-F89 VanDerWaalsContact O-N 3.09Å; F89-A91 PolarHBondContact O-N 3.5Å; F89-V92 WeakPolarHBondContact O-CB 3.24Å; F89-V92 PolarHBondContact O-N 3.26Å; F89-V92 VanDerWaalsContact O-N 3.15Å; F89-L93 HydrophobicContact CD1-CD1 4.03Å; F89-L93 HydrophobicContact CD1-CG 4.37Å; F89-L93 HydrophobicContact CE1-CD1 3.39Å; F89-L93 HydrophobicContact CE1-CD2 4.43Å; F89-L93 HydrophobicContact CE1-CG 3.93Å; F89-L93 HydrophobicContact CE2-CD1 4.46Å; F89-L93 HydrophobicContact CE2-CD2 4.08Å; F89-L93 HydrophobicContact CE2-CG 4.14Å; F89-L93 HydrophobicContact CZ-CD1 3.65Å; F89-L93 HydrophobicContact CZ-CD2 3.82Å; F89-L93 HydrophobicContact CZ-CG 3.8Å; F89-L93 PolarHBondContact O-N 2.98Å |
| 90 | V | 98.3 | Very high | 97.3 | Very high | 73 Ų | 73 | 48.3 Ų | 48.3 | 44% | 0.442 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.5 | -35.7 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | C87 S88 T94 L113 | C87-V90 PolarHBondContact O-N 3.31Å; C87-V90 VanDerWaalsContact O-N 3.11Å; S88-V90 PolarHBondContact O-N 3.25Å; V90-T94 WeakPolarHBondContact O-CB 3.06Å; V90-T94 PolarHBondContact O-N 3.1Å; V90-T94 PolarHBondContact O-OG1 3Å; V90-L113 HydrophobicContact CG1-CD1 4.3Å |
| 91 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S88 F89 T94 A95 L113 I114 | S88-A91 WeakPolarHBondContact O-CA 3.44Å; S88-A91 WeakPolarHBondContact O-CB 3.42Å; S88-A91 PolarHBondContact O-N 2.94Å; F89-A91 PolarHBondContact O-N 3.5Å; A91-T94 PolarHBondContact O-N 3.15Å; A91-A95 WeakPolarHBondContact O-CB 3.17Å; A91-A95 PolarHBondContact O-N 2.7Å; A91-L113 HydrophobicContact CB-CB 3.49Å; A91-L113 VanDerWaalsContact CB-CB 3.49Å; A91-I114 HydrophobicContact CB-CG1 3.85Å |
| 92 | V | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 111 | L41 H44 L48 S88 F89 T94 A95 M96 | L41-V92 HydrophobicContact CB-CG1 4.48Å; L41-V92 HydrophobicContact CD2-CG1 4.41Å; L41-V92 HydrophobicContact CD2-CG2 4.36Å; H44-V92 HydrophobicContact CB-CG2 4.33Å; L48-V92 HydrophobicContact CD1-CG2 3.94Å; S88-V92 PolarHBondContact O-N 2.86Å; S88-V92 VanDerWaalsContact O-N 3.15Å; F89-V92 WeakPolarHBondContact O-CB 3.24Å; F89-V92 PolarHBondContact O-N 3.26Å; F89-V92 VanDerWaalsContact O-N 3.15Å; V92-T94 PolarHBondContact O-N 3.11Å; V92-A95 PolarHBondContact O-N 2.94Å; V92-M96 HydrophobicContact CG1-CG 4.35Å; V92-M96 WeakPolarHBondContact O-CB 3.48Å; V92-M96 VanDerWaalsContact O-CG 3.3Å; V92-M96 WeakPolarHBondContact O-CG 3.4Å; V92-M96 PolarHBondContact O-N 2.81Å |
| 93 | L | 98 | Very high | 96.8 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 48% | 0.482 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 177.3 | -67.8 | -174.7 | 0 | 0 | 0 | 112.1 | F89 A95 M96 A97 | F89-L93 HydrophobicContact CD1-CD1 4.03Å; F89-L93 HydrophobicContact CD1-CG 4.37Å; F89-L93 HydrophobicContact CE1-CD1 3.39Å; F89-L93 HydrophobicContact CE1-CD2 4.43Å; F89-L93 HydrophobicContact CE1-CG 3.93Å; F89-L93 HydrophobicContact CE2-CD1 4.46Å; F89-L93 HydrophobicContact CE2-CD2 4.08Å; F89-L93 HydrophobicContact CE2-CG 4.14Å; F89-L93 HydrophobicContact CZ-CD1 3.65Å; F89-L93 HydrophobicContact CZ-CD2 3.82Å; F89-L93 HydrophobicContact CZ-CG 3.8Å; F89-L93 PolarHBondContact O-N 2.98Å; L93-A95 PolarHBondContact O-N 3.47Å; L93-M96 PolarHBondContact O-N 3.36Å; L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.2Å; L93-A97 PolarHBondContact O-N 3.5Å |
| 94 | T | 98 | Very high | 96.6 | Very high | 33 Ų | 33 | 49 Ų | 49 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -42 | 179.3 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | V90 A91 V92 S98 R109 A110 L113 | V90-T94 WeakPolarHBondContact O-CB 3.06Å; V90-T94 PolarHBondContact O-N 3.1Å; V90-T94 PolarHBondContact O-OG1 3Å; A91-T94 PolarHBondContact O-N 3.15Å; V92-T94 PolarHBondContact O-N 3.11Å; T94-S98 PolarHBondContact O-N 2.95Å; T94-R109 HydrophobicContact CG2-CB 4.34Å; T94-A110 HydrophobicContact CG2-CB 4.02Å; T94-L113 HydrophobicContact CG2-CD1 4.29Å |
| 95 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -49 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L41 A91 V92 L93 A97 S98 A110 | L41-A95 HydrophobicContact CD1-CB 3.62Å; L41-A95 HydrophobicContact CD2-CB 3.73Å; L41-A95 HydrophobicContact CG-CB 4.32Å; A91-A95 WeakPolarHBondContact O-CB 3.17Å; A91-A95 PolarHBondContact O-N 2.7Å; V92-A95 PolarHBondContact O-N 2.94Å; L93-A95 PolarHBondContact O-N 3.47Å; A95-A97 VanDerWaalsContact C-N 3.32Å; A95-A97 PolarHBondContact O-N 3.2Å; A95-S98 WeakPolarHBondContact O-CB 3.12Å; A95-S98 PolarHBondContact O-N 3.41Å; A95-S98 PolarHBondContact O-OG 3.34Å; A95-A110 HydrophobicContact CB-CB 3.8Å |
| 96 | M | 96.8 | Very high | 96.4 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 178.3 | -73.6 | -63.4 | -76.5 | 0 | 0 | 111.9 | L41 V92 L93 S98 I99 P100 | L41-M96 HydrophobicContact CB-SD 4.35Å; L41-M96 HydrophobicContact CD1-CG 3.98Å; L41-M96 HydrophobicContact CD1-SD 3.68Å; V92-M96 HydrophobicContact CG1-CG 4.35Å; V92-M96 WeakPolarHBondContact O-CB 3.48Å; V92-M96 VanDerWaalsContact O-CG 3.3Å; V92-M96 WeakPolarHBondContact O-CG 3.4Å; V92-M96 PolarHBondContact O-N 2.81Å; L93-M96 PolarHBondContact O-N 3.36Å; M96-S98 PolarHBondContact O-N 3.31Å; M96-I99 PolarHBondContact O-N 3.38Å; M96-I99 HydrophobicContact SD-CD1 4.17Å; M96-P100 VanDerWaalsContact O-CD 3.24Å; M96-P100 WeakPolarHBondContact O-CD 3.46Å |
| 97 | A | 96.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 51 Ų | 51 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68 | -15.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L93 A95 R106 | L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.2Å; L93-A97 PolarHBondContact O-N 3.5Å; A95-A97 VanDerWaalsContact C-N 3.32Å; A95-A97 PolarHBondContact O-N 3.2Å; A97-R106 PolarHBondContact O-NH1 3.36Å |
| 98 | S | 95.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -82.2 | -30 | 176.2 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | T94 A95 M96 K101 N102 D103 | T94-S98 PolarHBondContact O-N 2.95Å; A95-S98 WeakPolarHBondContact O-CB 3.12Å; A95-S98 PolarHBondContact O-N 3.41Å; A95-S98 PolarHBondContact O-OG 3.34Å; M96-S98 PolarHBondContact O-N 3.31Å; S98-K101 PolarHBondContact O-N 3.48Å; S98-N102 PolarHBondContact O-N 2.76Å; S98-N102 VanDerWaalsContact O-N 3.12Å; S98-D103 PolarHBondContact O-N 2.89Å; S98-D103 VanDerWaalsContact O-N 3.08Å |
| 99 | I | 95.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -45.9 | -168.1 | -64.9 | 167 | 0 | 0 | 0 | 113.5 | K34 L37 K38 L41 M96 K101 N102 W180 | K34-I99 HydrophobicContact CD-CG2 4.33Å; K34-I99 HydrophobicContact CG-CG2 4.29Å; L37-I99 HydrophobicContact CD2-CD1 4.09Å; L37-I99 HydrophobicContact CD2-CG1 4.2Å; L37-I99 HydrophobicContact CG-CD1 4.49Å; K38-I99 HydrophobicContact CG-CD1 3.81Å; L41-I99 HydrophobicContact CD1-CD1 4.17Å; M96-I99 PolarHBondContact O-N 3.38Å; M96-I99 HydrophobicContact SD-CD1 4.17Å; I99-K101 VanDerWaalsContact C-N 3.27Å; I99-K101 PolarHBondContact O-N 3.04Å; I99-N102 PolarHBondContact O-N 3.48Å; I99-N102 PolarHBondContact O-OD1 3.14Å; I99-W180 HydrophobicContact CG1-CH2 4.41Å |
| 100 | P | 93.6 | Very high | 96.3 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 70% | 0.695 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -32.8 | -177.7 | -22.3 | 33.8 | 0 | 0 | 0 | 112.9 | M96 | M96-P100 VanDerWaalsContact O-CD 3.24Å; M96-P100 WeakPolarHBondContact O-CD 3.46Å |
| 101 | K | 92 | Very high | 96.3 | Very high | 143 Ų | 143 | 57.1 Ų | 57.1 | 62% | 0.622 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -2.6 | -174.4 | -62.5 | -174.9 | 179.4 | -172.5 | 0 | 113.5 | S98 I99 D103 | S98-K101 PolarHBondContact O-N 3.48Å; I99-K101 VanDerWaalsContact C-N 3.27Å; I99-K101 PolarHBondContact O-N 3.04Å; K101-D103 HydrophobicContact CB-CB 4.23Å; K101-D103 PolarHBondContact O-N 3.44Å |
| 102 | N | 92.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 61.3 Ų | 61.3 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 41.7 | -170.6 | -52.3 | -39.4 | 0 | 0 | 0 | 111.6 | K34 S98 I99 F104 W180 | K34-N102 WeakPolarHBondContact CE-OD1 3.39Å; K34-N102 PolarHBondContact NZ-OD1 3.31Å; S98-N102 PolarHBondContact O-N 2.76Å; S98-N102 VanDerWaalsContact O-N 3.12Å; I99-N102 PolarHBondContact O-N 3.48Å; I99-N102 PolarHBondContact O-OD1 3.14Å; N102-F104 PolarHBondContact O-N 2.95Å; N102-W180 VanDerWaalsContact C-CE3 3.47Å; N102-W180 HydrophobicContact CB-CD2 3.86Å; N102-W180 HydrophobicContact CB-CE3 4.47Å; N102-W180 HydrophobicContact CB-CG 3.86Å; N102-W180 WeakPolarHBondContact O-CB 3.36Å |
| 103 | D | 94.2 | Very high | 96.3 | Very high | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | trans | -83.2 | 104.3 | -169.4 | -175.1 | -27.3 | 0 | 0 | 0 | 110.8 | S98 K101 V105 R106 I107 | S98-D103 PolarHBondContact O-N 2.89Å; S98-D103 VanDerWaalsContact O-N 3.08Å; K101-D103 HydrophobicContact CB-CB 4.23Å; K101-D103 PolarHBondContact O-N 3.44Å; D103-V105 VanDerWaalsContact C-N 3.31Å; D103-V105 PolarHBondContact O-N 2.91Å; D103-V105 WeakPolarHBondContact OD1-CA 3.4Å; D103-V105 WeakPolarHBondContact OD1-CB 3.13Å; D103-V105 PolarHBondContact OD1-N 3.37Å; D103-R106 HydrophobicContact CB-CB 4.07Å; D103-R106 HydrophobicContact CB-CG 4.2Å; D103-R106 PolarHBondContact O-N 3.39Å; D103-R106 PolarHBondContact OD1-N 2.89Å; D103-R106 WeakPolarHBondContact OD2-CD 3.38Å; D103-R106 VanDerWaalsContact OD2-CG 3.23Å; D103-R106 WeakPolarHBondContact OD2-CG 3.42Å; D103-R106 IonicContact OD2-CZ 3.98Å; D103-R106 IonicContact OD2-NE 2.94Å; D103-R106 PolarHBondContact OD2-NE 3.22Å; D103-I107 WeakPolarHBondContact O-CG2 3.18Å; D103-I107 PolarHBondContact O-N 3.39Å | ||
| 104 | F | 93.7 | Very high | 96.4 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 11% | 0.114 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 176.9 | 176.8 | -99.1 | 0 | 0 | 0 | 113.8 | N102 I107 R108 G177 W180 Q181 | N102-F104 PolarHBondContact O-N 2.95Å; F104-I107 VanDerWaalsContact O-CG2 3.28Å; F104-I107 WeakPolarHBondContact O-CG2 3.38Å; F104-R108 WeakPolarHBondContact O-CB 3.4Å; F104-R108 PolarHBondContact O-N 3.36Å; F104-R108 VanDerWaalsContact O-N 3.09Å; F104-G177 WeakPolarHBondContact CD2-O 3.19Å; F104-G177 VanDerWaalsContact CE2-O 3.28Å; F104-G177 WeakPolarHBondContact CE2-O 3.48Å; F104-W180 HydrophobicContact CB-CB 4.42Å; F104-W180 WeakPolarHBondContact CB-O 3.49Å; F104-Q181 HydrophobicContact CD2-CG 3.94Å; F104-Q181 HydrophobicContact CE2-CG 3.56Å; F104-Q181 HydrophobicContact CZ-CG 4.19Å |
| 105 | V | 95.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71 | -44 | -174.8 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | D103 R108 R109 | D103-V105 VanDerWaalsContact C-N 3.31Å; D103-V105 PolarHBondContact O-N 2.91Å; D103-V105 WeakPolarHBondContact OD1-CA 3.4Å; D103-V105 WeakPolarHBondContact OD1-CB 3.13Å; D103-V105 PolarHBondContact OD1-N 3.37Å; V105-R108 PolarHBondContact O-N 2.92Å; V105-R109 WeakPolarHBondContact O-CG 3.33Å; V105-R109 PolarHBondContact O-N 2.83Å |
| 106 | R | 97.1 | Very high | 96.4 | Very high | 88 Ų | 88 | 64.8 Ų | 64.8 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 177.3 | -70.6 | 177.1 | -165.8 | -148.7 | -13.4 | 112.5 | A97 D103 R108 R109 A110 | A97-R106 PolarHBondContact O-NH1 3.36Å; D103-R106 HydrophobicContact CB-CB 4.07Å; D103-R106 HydrophobicContact CB-CG 4.2Å; D103-R106 PolarHBondContact O-N 3.39Å; D103-R106 PolarHBondContact OD1-N 2.89Å; D103-R106 WeakPolarHBondContact OD2-CD 3.38Å; D103-R106 VanDerWaalsContact OD2-CG 3.23Å; D103-R106 WeakPolarHBondContact OD2-CG 3.42Å; D103-R106 IonicContact OD2-CZ 3.98Å; D103-R106 IonicContact OD2-NE 2.94Å; D103-R106 PolarHBondContact OD2-NE 3.22Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 2.95Å; R106-R109 PolarHBondContact O-N 3.2Å; R106-A110 WeakPolarHBondContact O-CB 3.35Å; R106-A110 PolarHBondContact O-N 2.94Å |
| 107 | I | 97.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 178.9 | -167.7 | 62.8 | 0 | 0 | 0 | 111.6 | L37 D103 F104 A110 Y111 A173 W180 | L37-I107 HydrophobicContact CD2-CD1 3.71Å; D103-I107 WeakPolarHBondContact O-CG2 3.18Å; D103-I107 PolarHBondContact O-N 3.39Å; F104-I107 VanDerWaalsContact O-CG2 3.28Å; F104-I107 WeakPolarHBondContact O-CG2 3.38Å; I107-A110 PolarHBondContact O-N 3.31Å; I107-Y111 PolarHBondContact O-N 3.09Å; I107-A173 HydrophobicContact CD1-CB 3.87Å; I107-A173 HydrophobicContact CG1-CB 4.01Å; I107-W180 HydrophobicContact CB-CE3 4.29Å; I107-W180 HydrophobicContact CB-CZ3 3.96Å; I107-W180 HydrophobicContact CG1-CZ3 4.22Å; I107-W180 HydrophobicContact CG2-CE3 3.91Å; I107-W180 HydrophobicContact CG2-CZ3 4.1Å |
| 108 | R | 97.2 | Very high | 96.6 | Very high | 147 Ų | 147 | 60.4 Ų | 60.4 | 56% | 0.555 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.4 | -40.1 | 173.3 | -175.9 | 170.6 | 174.4 | 135.5 | -2.7 | 112.3 | F104 V105 R106 Y111 F112 | F104-R108 WeakPolarHBondContact O-CB 3.4Å; F104-R108 PolarHBondContact O-N 3.36Å; F104-R108 VanDerWaalsContact O-N 3.09Å; V105-R108 PolarHBondContact O-N 2.92Å; R106-R108 VanDerWaalsContact C-N 3.29Å; R106-R108 PolarHBondContact O-N 2.95Å; R108-Y111 WeakPolarHBondContact O-CB 3.43Å; R108-Y111 PolarHBondContact O-N 3.44Å; R108-F112 HydrophobicContact CG-CD2 4.36Å; R108-F112 HydrophobicContact CG-CE2 4.01Å; R108-F112 VanDerWaalsContact O-CD2 3.24Å; R108-F112 WeakPolarHBondContact O-CD2 3.3Å; R108-F112 PolarHBondContact O-N 3.42Å |
| 109 | R | 98.1 | Very high | 96.7 | Very high | 165 Ų | 165 | 61.5 Ų | 61.5 | 62% | 0.623 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.9 | -45.9 | 172.4 | -73 | 177.1 | -177.1 | 178.6 | 1.3 | 111.3 | T94 V105 R106 Y111 F112 L113 | T94-R109 HydrophobicContact CG2-CB 4.34Å; V105-R109 WeakPolarHBondContact O-CG 3.33Å; V105-R109 PolarHBondContact O-N 2.83Å; R106-R109 PolarHBondContact O-N 3.2Å; R109-Y111 VanDerWaalsContact C-N 3.28Å; R109-Y111 PolarHBondContact O-N 2.86Å; R109-F112 PolarHBondContact O-N 3.41Å; R109-L113 WeakPolarHBondContact O-CG 3.4Å; R109-L113 PolarHBondContact O-N 2.93Å |
| 110 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T94 A95 R106 I107 F112 L113 I114 | T94-A110 HydrophobicContact CG2-CB 4.02Å; A95-A110 HydrophobicContact CB-CB 3.8Å; R106-A110 WeakPolarHBondContact O-CB 3.35Å; R106-A110 PolarHBondContact O-N 2.94Å; I107-A110 PolarHBondContact O-N 3.31Å; A110-F112 PolarHBondContact O-N 3.33Å; A110-L113 PolarHBondContact O-N 3.13Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.42Å; A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 2.86Å |
| 111 | Y | 98.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.9 | -49.7 | 175 | 179.2 | -82.1 | 0 | 0 | 0 | 112.3 | I107 R108 R109 I114 L115 M170 A173 T174 | I107-Y111 PolarHBondContact O-N 3.09Å; R108-Y111 WeakPolarHBondContact O-CB 3.43Å; R108-Y111 PolarHBondContact O-N 3.44Å; R109-Y111 VanDerWaalsContact C-N 3.28Å; R109-Y111 PolarHBondContact O-N 2.86Å; Y111-I114 PolarHBondContact O-N 3.28Å; Y111-L115 PolarHBondContact O-N 3.38Å; Y111-M170 HydrophobicContact CD2-CB 4.13Å; Y111-M170 HydrophobicContact CD2-CG 4.22Å; Y111-M170 HydrophobicContact CE1-CE 3.87Å; Y111-M170 HydrophobicContact CE2-CB 3.7Å; Y111-M170 HydrophobicContact CE2-CE 3.79Å; Y111-M170 HydrophobicContact CE2-CG 4.04Å; Y111-M170 VanDerWaalsContact OH-CE 3.3Å; Y111-M170 WeakPolarHBondContact OH-CE 3.44Å; Y111-A173 HydrophobicContact CD2-CB 4.32Å; Y111-T174 WeakPolarHBondContact CE2-OG1 3.3Å |
| 112 | F | 98.5 | Very high | 97.3 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 39% | 0.386 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.3 | -36.5 | 178.7 | -72.6 | -69.7 | 0 | 0 | 0 | 112.4 | R108 R109 A110 I114 L115 F116 | R108-F112 HydrophobicContact CG-CD2 4.36Å; R108-F112 HydrophobicContact CG-CE2 4.01Å; R108-F112 VanDerWaalsContact O-CD2 3.24Å; R108-F112 WeakPolarHBondContact O-CD2 3.3Å; R108-F112 PolarHBondContact O-N 3.42Å; R109-F112 PolarHBondContact O-N 3.41Å; A110-F112 PolarHBondContact O-N 3.33Å; F112-I114 VanDerWaalsContact C-N 3.34Å; F112-I114 PolarHBondContact O-N 3.46Å; F112-L115 PolarHBondContact O-N 2.91Å; F112-F116 HydrophobicContact CB-CD2 4.36Å; F112-F116 HydrophobicContact CB-CE2 4.41Å; F112-F116 HydrophobicContact CD1-CE2 4.07Å; F112-F116 WeakPolarHBondContact O-CD2 3.34Å; F112-F116 PolarHBondContact O-N 3.44Å |
| 113 | L | 98.7 | Very high | 97.6 | Very high | 48 Ų | 48 | 52.5 Ų | 52.5 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -41.2 | 173.5 | -68.9 | 171.1 | 0 | 0 | 0 | 111.6 | V90 A91 T94 R109 A110 L115 L117 | V90-L113 HydrophobicContact CG1-CD1 4.3Å; A91-L113 HydrophobicContact CB-CB 3.49Å; A91-L113 VanDerWaalsContact CB-CB 3.49Å; T94-L113 HydrophobicContact CG2-CD1 4.29Å; R109-L113 WeakPolarHBondContact O-CG 3.4Å; R109-L113 PolarHBondContact O-N 2.93Å; A110-L113 PolarHBondContact O-N 3.13Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 2.93Å; L113-L117 HydrophobicContact CD2-CD1 3.88Å; L113-L117 WeakPolarHBondContact O-CA 3.24Å; L113-L117 VanDerWaalsContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CB 3.41Å; L113-L117 PolarHBondContact O-N 2.83Å |
| 114 | I | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -62 | -42.7 | 174.5 | -72.1 | 158.7 | 0 | 0 | 0 | 110.4 | A91 A110 Y111 F112 G118 L119 H166 T169 M170 | A91-I114 HydrophobicContact CB-CG1 3.85Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.42Å; A110-I114 VanDerWaalsContact O-CG1 3.23Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 2.86Å; Y111-I114 PolarHBondContact O-N 3.28Å; F112-I114 VanDerWaalsContact C-N 3.34Å; F112-I114 PolarHBondContact O-N 3.46Å; I114-G118 CarbonylContact O-C 3.54Å; I114-G118 WeakPolarHBondContact O-CA 3.4Å; I114-G118 PolarHBondContact O-N 3.41Å; I114-L119 PolarHBondContact O-N 3.26Å; I114-H166 HydrophobicContact CG2-CB 4.32Å; I114-T169 HydrophobicContact CD1-CG2 3.45Å; I114-T169 VanDerWaalsContact CD1-CG2 3.45Å; I114-T169 HydrophobicContact CG1-CG2 4.46Å; I114-M170 HydrophobicContact CB-CG 4.49Å; I114-M170 HydrophobicContact CG2-CG 3.69Å; I114-M170 HydrophobicContact CG2-SD 4.16Å |
| 115 | L | 98.6 | Very high | 98 | Very high | 52 Ų | 52 | 52 Ų | 52 | 27% | 0.272 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -62 | -53.4 | 177.7 | 176.5 | 59.3 | 0 | 0 | 0 | 111.9 | Y111 F112 L113 L119 M120 M170 | Y111-L115 PolarHBondContact O-N 3.38Å; F112-L115 PolarHBondContact O-N 2.91Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 2.93Å; L115-L119 HydrophobicContact CD1-CB 4.5Å; L115-L119 HydrophobicContact CD1-CD2 4.05Å; L115-L119 PolarHBondContact O-N 2.64Å; L115-M120 WeakPolarHBondContact O-CB 3.44Å; L115-M120 PolarHBondContact O-N 3.47Å; L115-M170 HydrophobicContact CB-CE 4.16Å; L115-M170 HydrophobicContact CD1-CE 4.06Å |
| 116 | F | 98.5 | Very high | 98.1 | Very high | 110 Ų | 110 | 50 Ų | 50 | 48% | 0.482 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -83.9 | -32.2 | -171.8 | -68.7 | -64.2 | 0 | 0 | 0 | 114.6 | F112 M120 | F112-F116 HydrophobicContact CB-CD2 4.36Å; F112-F116 HydrophobicContact CB-CE2 4.41Å; F112-F116 HydrophobicContact CD1-CE2 4.07Å; F112-F116 WeakPolarHBondContact O-CD2 3.34Å; F112-F116 PolarHBondContact O-N 3.44Å; F116-M120 HydrophobicContact CD1-SD 4.43Å |
| 117 | L | 98.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 48 Ų | 48 | 20% | 0.199 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -101.3 | -22.4 | -179.1 | -54.4 | -179.8 | 0 | 0 | 0 | 112.6 | C87 S88 L113 P121 | C87-L117 HydrophobicContact CB-CD1 4.24Å; C87-L117 HydrophobicContact CB-CD2 4.33Å; S88-L117 WeakPolarHBondContact CB-O 3.42Å; L113-L117 HydrophobicContact CD2-CD1 3.88Å; L113-L117 WeakPolarHBondContact O-CA 3.24Å; L113-L117 VanDerWaalsContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CB 3.41Å; L113-L117 PolarHBondContact O-N 2.83Å; L117-P121 WeakPolarHBondContact O-CG 3.26Å |
| 118 | G | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -101 | -60.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | W85 I114 H166 | W85-G118 PolarHBondContact NE1-O 2.9Å; W85-G118 VanDerWaalsContact NE1-O 3.1Å; I114-G118 CarbonylContact O-C 3.54Å; I114-G118 WeakPolarHBondContact O-CA 3.4Å; I114-G118 PolarHBondContact O-N 3.41Å; G118-H166 VanDerWaalsContact CA-NE2 3.29Å; G118-H166 WeakPolarHBondContact CA-NE2 3.23Å; G118-H166 PolarHBondContact O-CE1 3.46Å |
| 119 | L | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.12 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -79 | -41.8 | -173.4 | -175.3 | 59.9 | 0 | 0 | 0 | 112.9 | I114 L115 I122 T123 F163 H166 M170 | I114-L119 PolarHBondContact O-N 3.26Å; L115-L119 HydrophobicContact CD1-CB 4.5Å; L115-L119 HydrophobicContact CD1-CD2 4.05Å; L115-L119 PolarHBondContact O-N 2.64Å; L119-I122 HydrophobicContact CD1-CD1 4.11Å; L119-I122 HydrophobicContact CD1-CG1 4.4Å; L119-I122 WeakPolarHBondContact O-CG1 3.4Å; L119-T123 HydrophobicContact CD1-CG2 4.05Å; L119-T123 HydrophobicContact CG-CG2 4.32Å; L119-T123 WeakPolarHBondContact O-CG2 3.45Å; L119-T123 PolarHBondContact O-N 3.22Å; L119-T123 VanDerWaalsContact O-N 3.16Å; L119-T123 PolarHBondContact O-OG1 2.87Å; L119-F163 HydrophobicContact CD1-CD2 3.47Å; L119-F163 VanDerWaalsContact CD1-CD2 3.47Å; L119-F163 HydrophobicContact CD1-CE2 3.83Å; L119-F163 HydrophobicContact CD1-CG 4.35Å; L119-H166 HydrophobicContact CB-CB 4.21Å; L119-H166 HydrophobicContact CD1-CB 4.19Å; L119-M170 HydrophobicContact CD2-SD 4.04Å |
| 120 | M | 98.2 | Very high | 97.9 | Very high | 74 Ų | 74 | 43.9 Ų | 43.9 | 37% | 0.365 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.8 | -46.1 | -176.9 | -171.8 | -165.3 | 179.4 | 0 | 0 | 113.7 | W84 L115 F116 I122 T123 V124 | W84-M120 HydrophobicContact CH2-CE 3.66Å; W84-M120 HydrophobicContact CH2-CG 4.22Å; W84-M120 HydrophobicContact CH2-SD 3.58Å; W84-M120 VanDerWaalsContact CH2-SD 3.58Å; W84-M120 HydrophobicContact CZ2-CE 4.19Å; W84-M120 HydrophobicContact CZ2-CG 4.34Å; W84-M120 HydrophobicContact CZ2-SD 3.52Å; W84-M120 VanDerWaalsContact CZ2-SD 3.52Å; L115-M120 WeakPolarHBondContact O-CB 3.44Å; L115-M120 PolarHBondContact O-N 3.47Å; F116-M120 HydrophobicContact CD1-SD 4.43Å; M120-I122 VanDerWaalsContact C-N 3.31Å; M120-I122 PolarHBondContact O-N 2.9Å; M120-T123 PolarHBondContact O-N 3.23Å; M120-T123 PolarHBondContact O-OG1 3.05Å; M120-V124 HydrophobicContact CE-CG2 4.32Å; M120-V124 HydrophobicContact CG-CG2 4.16Å; M120-V124 WeakPolarHBondContact O-CB 3.43Å; M120-V124 VanDerWaalsContact O-CG2 3.31Å; M120-V124 WeakPolarHBondContact O-CG2 3.22Å; M120-V124 PolarHBondContact O-N 2.93Å |
| 121 | P | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | -177.2 | -23.9 | 36.1 | 0 | 0 | 0 | 112.3 | W84 W85 L117 A125 | W84-P121 HydrophobicContact CB-CB 4.31Å; W84-P121 HydrophobicContact CB-CG 4.32Å; W84-P121 HydrophobicContact CD2-CB 3.96Å; W84-P121 HydrophobicContact CD2-CG 3.62Å; W84-P121 HydrophobicContact CE3-CB 4.11Å; W84-P121 HydrophobicContact CE3-CG 4.2Å; W84-P121 HydrophobicContact CG-CB 4.06Å; W84-P121 HydrophobicContact CG-CG 3.65Å; W84-P121 HydrophobicContact CZ2-CG 4.41Å; W85-P121 HydrophobicContact CB-CB 4.07Å; L117-P121 WeakPolarHBondContact O-CG 3.26Å; P121-A125 WeakPolarHBondContact O-CB 3.32Å; P121-A125 PolarHBondContact O-N 2.91Å |
| 122 | I | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72 | -35.3 | 179.3 | 61.1 | 173 | 0 | 0 | 0 | 112.5 | W81 W85 L119 M120 A126 F158 F159 A162 F163 H166 | W81-I122 HydrophobicContact CZ3-CG2 4.45Å; W85-I122 HydrophobicContact CG-CG2 4.18Å; L119-I122 HydrophobicContact CD1-CD1 4.11Å; L119-I122 HydrophobicContact CD1-CG1 4.4Å; L119-I122 WeakPolarHBondContact O-CG1 3.4Å; M120-I122 VanDerWaalsContact C-N 3.31Å; M120-I122 PolarHBondContact O-N 2.9Å; I122-A126 VanDerWaalsContact O-CB 3.24Å; I122-A126 WeakPolarHBondContact O-CB 3.37Å; I122-A126 PolarHBondContact O-N 3.42Å; I122-F158 HydrophobicContact CG2-CE1 4.24Å; I122-F159 HydrophobicContact CB-CD1 4.06Å; I122-F159 HydrophobicContact CG2-CD1 4.25Å; I122-A162 HydrophobicContact CD1-CB 3.78Å; I122-A162 HydrophobicContact CG2-CB 4.47Å; I122-F163 HydrophobicContact CD1-CB 4.25Å; I122-H166 WeakPolarHBondContact CD1-ND1 3.18Å |
| 123 | T | 98.1 | Very high | 97.4 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 39% | 0.393 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.1 | -38.6 | 177.4 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | L119 M120 A126 G127 F163 | L119-T123 HydrophobicContact CD1-CG2 4.05Å; L119-T123 HydrophobicContact CG-CG2 4.32Å; L119-T123 WeakPolarHBondContact O-CG2 3.45Å; L119-T123 PolarHBondContact O-N 3.22Å; L119-T123 VanDerWaalsContact O-N 3.16Å; L119-T123 PolarHBondContact O-OG1 2.87Å; M120-T123 PolarHBondContact O-N 3.23Å; M120-T123 PolarHBondContact O-OG1 3.05Å; T123-A126 PolarHBondContact O-N 2.94Å; T123-G127 PolarHBondContact O-N 2.86Å; T123-F163 HydrophobicContact CG2-CD2 4.27Å; T123-F163 HydrophobicContact CG2-CE2 4.42Å |
| 124 | V | 98.3 | Very high | 97.3 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 35% | 0.345 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 172.1 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | M120 A126 G127 L128 | M120-V124 HydrophobicContact CE-CG2 4.32Å; M120-V124 HydrophobicContact CG-CG2 4.16Å; M120-V124 WeakPolarHBondContact O-CB 3.43Å; M120-V124 VanDerWaalsContact O-CG2 3.31Å; M120-V124 WeakPolarHBondContact O-CG2 3.22Å; M120-V124 PolarHBondContact O-N 2.93Å; V124-A126 PolarHBondContact O-N 3Å; V124-G127 PolarHBondContact O-N 3.24Å; V124-G127 VanDerWaalsContact O-N 3.15Å; V124-L128 HydrophobicContact CG1-CD1 4Å; V124-L128 HydrophobicContact CG1-CG 4.37Å; V124-L128 WeakPolarHBondContact O-CG 3.04Å; V124-L128 PolarHBondContact O-N 3.39Å |
| 125 | A | 97.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W81 P121 G127 L128 N129 F159 | W81-A125 HydrophobicContact CB-CB 3.93Å; W81-A125 HydrophobicContact CD2-CB 3.63Å; W81-A125 HydrophobicContact CE3-CB 4.25Å; W81-A125 HydrophobicContact CG-CB 3.44Å; W81-A125 VanDerWaalsContact CG-CB 3.44Å; P121-A125 WeakPolarHBondContact O-CB 3.32Å; P121-A125 PolarHBondContact O-N 2.91Å; A125-G127 VanDerWaalsContact C-N 3.27Å; A125-G127 PolarHBondContact O-N 3.23Å; A125-L128 PolarHBondContact O-N 3.29Å; A125-N129 WeakPolarHBondContact O-CB 3.33Å; A125-N129 PolarHBondContact O-N 2.63Å; A125-N129 PolarHBondContact O-ND2 3.04Å; A125-F159 HydrophobicContact CB-CE1 3.89Å; A125-F159 HydrophobicContact CB-CE2 4.48Å; A125-F159 HydrophobicContact CB-CZ 3.67Å |
| 126 | A | 97.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -33.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I122 T123 V124 Y156 F159 | I122-A126 VanDerWaalsContact O-CB 3.24Å; I122-A126 WeakPolarHBondContact O-CB 3.37Å; I122-A126 PolarHBondContact O-N 3.42Å; T123-A126 PolarHBondContact O-N 2.94Å; V124-A126 PolarHBondContact O-N 3Å; A126-Y156 HydrophobicContact CB-CE1 4.32Å; A126-Y156 PolarHBondContact O-OH 3.41Å; A126-F159 HydrophobicContact CB-CD2 3.75Å; A126-F159 HydrophobicContact CB-CE2 4.18Å; A126-F159 HydrophobicContact CB-CG 4.23Å |
| 127 | G | 97.4 | Very high | 97 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T123 V124 A125 N129 V130 | T123-G127 PolarHBondContact O-N 2.86Å; V124-G127 PolarHBondContact O-N 3.24Å; V124-G127 VanDerWaalsContact O-N 3.15Å; A125-G127 VanDerWaalsContact C-N 3.27Å; A125-G127 PolarHBondContact O-N 3.23Å; G127-N129 PolarHBondContact O-N 3.4Å; G127-V130 WeakPolarHBondContact O-CG1 3.36Å; G127-V130 PolarHBondContact O-N 3.06Å |
| 128 | L | 96.1 | Very high | 96.9 | Very high | 130 Ų | 130 | 56.1 Ų | 56.1 | 68% | 0.681 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.3 | -32.5 | -179 | -67 | 177.4 | 0 | 0 | 0 | 113 | V124 A125 V130 | V124-L128 HydrophobicContact CG1-CD1 4Å; V124-L128 HydrophobicContact CG1-CG 4.37Å; V124-L128 WeakPolarHBondContact O-CG 3.04Å; V124-L128 PolarHBondContact O-N 3.39Å; A125-L128 PolarHBondContact O-N 3.29Å; L128-V130 VanDerWaalsContact C-N 3.35Å |
| 129 | N | 94.7 | Very high | 96.8 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 6.3 | -178.9 | -67.9 | -79.8 | 0 | 0 | 0 | 113.8 | A125 G127 S131 Q132 L133 Y156 | A125-N129 WeakPolarHBondContact O-CB 3.33Å; A125-N129 PolarHBondContact O-N 2.63Å; A125-N129 PolarHBondContact O-ND2 3.04Å; G127-N129 PolarHBondContact O-N 3.4Å; N129-S131 VanDerWaalsContact C-N 3.31Å; N129-S131 PolarHBondContact O-N 3.09Å; N129-Q132 PolarHBondContact O-N 3.47Å; N129-Q132 PolarHBondContact OD1-OE1 3.18Å; N129-Q132 VanDerWaalsContact OD1-OE1 3.1Å; N129-L133 PolarHBondContact O-N 3.37Å; N129-L133 VanDerWaalsContact O-N 3.09Å; N129-Y156 HydrophobicContact CB-CE2 4.34Å |
| 130 | V | 96.6 | Very high | 96.6 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | -177.6 | 77 | 0 | 0 | 0 | 0 | 112.8 | G127 L128 L133 M134 Y156 | G127-V130 WeakPolarHBondContact O-CG1 3.36Å; G127-V130 PolarHBondContact O-N 3.06Å; L128-V130 VanDerWaalsContact C-N 3.35Å; V130-L133 PolarHBondContact O-N 2.89Å; V130-M134 VanDerWaalsContact O-CB 3.31Å; V130-M134 WeakPolarHBondContact O-CB 3.41Å; V130-M134 PolarHBondContact O-N 3.31Å; V130-Y156 WeakPolarHBondContact CA-OH 3.45Å; V130-Y156 PolarHBondContact N-OH 3.44Å |
| 131 | S | 95.2 | Very high | 96.3 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.3 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | N129 M134 H135 | N129-S131 VanDerWaalsContact C-N 3.31Å; N129-S131 PolarHBondContact O-N 3.09Å; S131-M134 PolarHBondContact O-N 3.44Å; S131-H135 WeakPolarHBondContact O-CB 3.12Å; S131-H135 PolarHBondContact O-N 3.02Å |
| 132 | Q | 94.8 | Very high | 96 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.5 | -66.1 | -179.9 | -4.9 | 0 | 0 | 111.6 | N129 M134 H135 Y136 E143 V152 | N129-Q132 PolarHBondContact O-N 3.47Å; N129-Q132 PolarHBondContact OD1-OE1 3.18Å; N129-Q132 VanDerWaalsContact OD1-OE1 3.1Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 3.09Å; Q132-H135 PolarHBondContact O-N 3.28Å; Q132-Y136 WeakPolarHBondContact O-CB 3.29Å; Q132-Y136 PolarHBondContact O-N 2.77Å; Q132-E143 PolarHBondContact NE2-OE2 3.45Å; Q132-V152 HydrophobicContact CB-CG2 4.08Å |
| 133 | L | 95.9 | Very high | 95.6 | Very high | 50 Ų | 50 | 73.4 Ų | 73.4 | 26% | 0.262 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 176.1 | -179.1 | 65.8 | 0 | 0 | 0 | 110.9 | N129 V130 Y136 A137 V152 Y156 | N129-L133 PolarHBondContact O-N 3.37Å; N129-L133 VanDerWaalsContact O-N 3.09Å; V130-L133 PolarHBondContact O-N 2.89Å; L133-Y136 PolarHBondContact O-N 3.48Å; L133-A137 WeakPolarHBondContact O-CB 3.25Å; L133-A137 PolarHBondContact O-N 2.96Å; L133-V152 HydrophobicContact CB-CG2 3.9Å; L133-V152 HydrophobicContact CD1-CG2 4.31Å; L133-Y156 HydrophobicContact CB-CD2 4.24Å; L133-Y156 HydrophobicContact CB-CE2 3.66Å; L133-Y156 HydrophobicContact CD1-CD2 4.18Å; L133-Y156 HydrophobicContact CD1-CE2 4.45Å; L133-Y156 HydrophobicContact CD2-CD1 3.84Å; L133-Y156 HydrophobicContact CD2-CD2 3.83Å; L133-Y156 HydrophobicContact CD2-CE1 3.71Å; L133-Y156 HydrophobicContact CD2-CE2 3.68Å; L133-Y156 HydrophobicContact CD2-CG 3.9Å; L133-Y156 HydrophobicContact CG-CD2 4.3Å; L133-Y156 HydrophobicContact CG-CE2 4.12Å |
| 134 | M | 96.6 | Very high | 95.2 | Very high | 98 Ų | 98 | 73.6 Ų | 73.6 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.1 | -35.8 | 179 | -166.9 | 60.4 | 62.2 | 0 | 0 | 112.1 | V130 S131 Q132 A137 K138 | V130-M134 VanDerWaalsContact O-CB 3.31Å; V130-M134 WeakPolarHBondContact O-CB 3.41Å; V130-M134 PolarHBondContact O-N 3.31Å; S131-M134 PolarHBondContact O-N 3.44Å; Q132-M134 VanDerWaalsContact C-N 3.33Å; Q132-M134 PolarHBondContact O-N 3.09Å; M134-A137 PolarHBondContact O-N 3.31Å; M134-K138 HydrophobicContact CG-CD 4.32Å; M134-K138 WeakPolarHBondContact O-CB 3.49Å; M134-K138 WeakPolarHBondContact O-CG 3.49Å; M134-K138 PolarHBondContact O-N 3.39Å; M134-K138 VanDerWaalsContact O-N 3.08Å |
| 135 | H | 96.6 | Very high | 94.9 | Very high | 80 Ų | 80 | 76.4 Ų | 76.4 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -48.8 | 173.2 | -177.9 | -84.8 | 0 | 0 | 0 | 110.9 | S131 Q132 A137 K138 H139 Q141 | S131-H135 WeakPolarHBondContact O-CB 3.12Å; S131-H135 PolarHBondContact O-N 3.02Å; Q132-H135 PolarHBondContact O-N 3.28Å; H135-A137 PolarHBondContact O-N 3.39Å; H135-K138 PolarHBondContact O-N 2.92Å; H135-H139 AromaticContact CD2-CE1 3.84Å; H135-H139 AromaticContact CD2-ND1 3.49Å; H135-H139 PolarHBondContact CD2-ND1 3.44Å; H135-H139 AromaticContact CE1-ND1 3.92Å; H135-H139 AromaticContact CG-ND1 3.84Å; H135-H139 AromaticContact NE2-ND1 3.53Å; H135-H139 PolarHBondContact O-N 3.49Å; H135-H139 PolarHBondContact O-ND1 2.87Å; H135-Q141 PolarHBondContact ND1-O 3.17Å; H135-Q141 VanDerWaalsContact ND1-O 3.16Å |
| 136 | Y | 96.2 | Very high | 94.5 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 28% | 0.275 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.3 | 174 | -104.8 | 0 | 0 | 0 | 111.8 | Q132 L133 K138 G140 Q141 A142 P150 V152 V153 | Q132-Y136 WeakPolarHBondContact O-CB 3.29Å; Q132-Y136 PolarHBondContact O-N 2.77Å; L133-Y136 PolarHBondContact O-N 3.48Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.42Å; Y136-G140 WeakPolarHBondContact O-CA 3.12Å; Y136-G140 PolarHBondContact O-N 3.06Å; Y136-Q141 WeakPolarHBondContact CA-O 3.23Å; Y136-A142 HydrophobicContact CD2-CB 3.87Å; Y136-A142 HydrophobicContact CE2-CB 4.47Å; Y136-P150 HydrophobicContact CD2-CB 4.15Å; Y136-P150 HydrophobicContact CE1-CG 4.09Å; Y136-P150 HydrophobicContact CE2-CB 3.83Å; Y136-P150 HydrophobicContact CE2-CG 3.88Å; Y136-V152 HydrophobicContact CG-CG1 4.31Å; Y136-V153 HydrophobicContact CD1-CG2 3.78Å; Y136-V153 HydrophobicContact CE1-CG2 3.51Å |
| 137 | A | 95.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 85.1 Ų | 85.1 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.8 | -32.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L133 M134 H135 | L133-A137 WeakPolarHBondContact O-CB 3.25Å; L133-A137 PolarHBondContact O-N 2.96Å; M134-A137 PolarHBondContact O-N 3.31Å; H135-A137 PolarHBondContact O-N 3.39Å |
| 138 | K | 97 | Very high | 93.7 | Very high | 154 Ų | 154 | 85.9 Ų | 85.9 | 67% | 0.67 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -86.9 | -39.9 | -178.9 | -72.2 | 177.5 | 179.1 | -177.8 | 0 | 113.7 | M134 H135 Y136 | M134-K138 HydrophobicContact CG-CD 4.32Å; M134-K138 WeakPolarHBondContact O-CB 3.49Å; M134-K138 WeakPolarHBondContact O-CG 3.49Å; M134-K138 PolarHBondContact O-N 3.39Å; M134-K138 VanDerWaalsContact O-N 3.08Å; H135-K138 PolarHBondContact O-N 2.92Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.42Å |
| 139 | H | 95.8 | Very high | 93.6 | Very high | 119 Ų | 119 | 86.1 Ų | 86.1 | 55% | 0.551 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -109.2 | -11.7 | -171.2 | -52.9 | 97.3 | 0 | 0 | 0 | 113.6 | H135 Q141 | H135-H139 AromaticContact CD2-CE1 3.84Å; H135-H139 AromaticContact CD2-ND1 3.49Å; H135-H139 PolarHBondContact CD2-ND1 3.44Å; H135-H139 AromaticContact CE1-ND1 3.92Å; H135-H139 AromaticContact CG-ND1 3.84Å; H135-H139 AromaticContact NE2-ND1 3.53Å; H135-H139 PolarHBondContact O-N 3.49Å; H135-H139 PolarHBondContact O-ND1 2.87Å; H139-Q141 PolarHBondContact O-N 3.06Å |
| 140 | G | 93.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 85.6 Ų | 85.6 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | S | Bend | trans | 70.9 | 8.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y136 | Y136-G140 WeakPolarHBondContact O-CA 3.12Å; Y136-G140 PolarHBondContact O-N 3.06Å |
| 141 | Q | 92.6 | Very high | 93.5 | Very high | 127 Ų | 127 | 82.2 Ų | 82.2 | 59% | 0.593 | 43% | 0.429 | S | S | * | . | trans | -113.7 | 124.5 | -176.9 | -66.7 | -177.7 | -17.2 | 0 | 0 | 110.7 | H135 Y136 H139 | H135-Q141 PolarHBondContact ND1-O 3.17Å; H135-Q141 VanDerWaalsContact ND1-O 3.16Å; Y136-Q141 WeakPolarHBondContact CA-O 3.23Å; H139-Q141 PolarHBondContact O-N 3.06Å | ||
| 142 | A | 91.9 | Very high | 93.5 | Very high | 18 Ų | 18 | 78.9 Ų | 78.9 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | trans | -102.8 | 151 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y136 E144 Y145 P150 V152 | Y136-A142 HydrophobicContact CD2-CB 3.87Å; Y136-A142 HydrophobicContact CE2-CB 4.47Å; A142-E144 VanDerWaalsContact C-N 3.31Å; A142-Y145 HydrophobicContact CB-CE1 4.18Å; A142-Y145 HydrophobicContact CB-CE2 3.98Å; A142-Y145 PolarHBondContact N-OH 3.13Å; A142-Y145 WeakPolarHBondContact O-CE2 3.46Å; A142-P150 HydrophobicContact CB-CB 3.58Å; A142-V152 HydrophobicContact CB-CG1 4.5Å | ||
| 143 | E | 88.5 | Confident | 93.5 | Very high | 151 Ų | 151 | 78.4 Ų | 78.4 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -68.2 | -33.9 | 176.4 | -66.6 | 178.1 | -175.5 | 0 | 0 | 111.8 | Q132 | Q132-E143 PolarHBondContact NE2-OE2 3.45Š|
| 144 | E | 90.6 | Very high | 93.5 | Very high | 68 Ų | 68 | 79.3 Ų | 79.3 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | trans | -137.2 | 138.3 | -176 | -164.6 | 179.7 | -151.7 | 0 | 0 | 110.8 | P76 S77 A142 V151 | P76-E144 WeakPolarHBondContact CA-OE1 3.39Å; P76-E144 VanDerWaalsContact CB-CD 3.43Å; P76-E144 HydrophobicContact CB-CG 4.45Å; P76-E144 VanDerWaalsContact CB-OE1 3.28Å; P76-E144 WeakPolarHBondContact CB-OE1 3.24Å; P76-E144 WeakPolarHBondContact CB-OE2 3.34Å; S77-E144 PolarHBondContact N-OE1 2.87Å; A142-E144 VanDerWaalsContact C-N 3.31Å; E144-V151 HydrophobicContact CB-CB 4.11Å; E144-V151 HydrophobicContact CB-CG2 4.11Å; E144-V151 HydrophobicContact CG-CB 4.35Å; E144-V151 HydrophobicContact CG-CG2 3.88Å; E144-V151 PolarHBondContact O-N 3.47Å | ||
| 145 | Y | 91.5 | Very high | 93.4 | Very high | 116 Ų | 116 | 75.9 Ų | 75.9 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136.8 | 178.4 | -68.7 | -93 | 0 | 0 | 0 | 110.3 | A142 F149 P150 | A142-Y145 HydrophobicContact CB-CE1 4.18Å; A142-Y145 HydrophobicContact CB-CE2 3.98Å; A142-Y145 PolarHBondContact N-OH 3.13Å; A142-Y145 WeakPolarHBondContact O-CE2 3.46Å; Y145-F149 CarbonylContact C-O 3.45Å; Y145-F149 VanDerWaalsContact CA-O 3.32Å; Y145-F149 WeakPolarHBondContact CA-O 3.28Å; Y145-P150 HydrophobicContact CD1-CB 4.48Å; Y145-P150 HydrophobicContact CE1-CB 4.29Å |
| 146 | F | 90.1 | Very high | 93.5 | Very high | 58 Ų | 58 | 74.3 Ų | 74.3 | 25% | 0.254 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 111.7 | 173.4 | 179.2 | -111.8 | 0 | 0 | 0 | 108.7 | Q74 L75 G148 F149 V151 L154 | Q74-F146 WeakPolarHBondContact O-CD2 3.5Å; Q74-F146 WeakPolarHBondContact O-CE2 3.42Å; L75-F146 HydrophobicContact CD2-CE2 4.17Å; L75-F146 HydrophobicContact CD2-CZ 4.47Å; F146-G148 PolarHBondContact O-N 3.08Å; F146-F149 PolarHBondContact N-O 3.46Å; F146-F149 WeakPolarHBondContact O-CB 3.21Å; F146-F149 PolarHBondContact O-N 3.26Å; F146-V151 HydrophobicContact CB-CG2 3.67Å; F146-L154 HydrophobicContact CB-CD1 4.19Å; F146-L154 HydrophobicContact CD1-CD1 4.02Å |
| 147 | H | 89.3 | Confident | 93.5 | Very high | 151 Ų | 151 | 75.4 Ų | 75.4 | 70% | 0.699 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 39.5 | -171.9 | -63.8 | -76.8 | 0 | 0 | 0 | 113.8 | F149 | H147-F149 PolarHBondContact O-N 3.12Š|
| 148 | G | 89.2 | Confident | 93.6 | Very high | 61 Ų | 61 | 72.7 Ų | 72.7 | 63% | 0.629 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F146 | F146-G148 PolarHBondContact O-N 3.08Š|
| 149 | F | 92.7 | Very high | 93.7 | Very high | 135 Ų | 135 | 65.9 Ų | 65.9 | 59% | 0.592 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134.5 | 173.1 | -67.6 | -84.3 | 0 | 0 | 0 | 111 | Y145 F146 H147 V151 L154 | Y145-F149 CarbonylContact C-O 3.45Å; Y145-F149 VanDerWaalsContact CA-O 3.32Å; Y145-F149 WeakPolarHBondContact CA-O 3.28Å; F146-F149 PolarHBondContact N-O 3.46Å; F146-F149 WeakPolarHBondContact O-CB 3.21Å; F146-F149 PolarHBondContact O-N 3.26Å; H147-F149 PolarHBondContact O-N 3.12Å; F149-V151 PolarHBondContact O-N 3.37Å; F149-L154 HydrophobicContact CB-CD1 4.25Å |
| 150 | P | 95.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 7% | 0.071 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 120.5 | 178 | 27.5 | -35.6 | 0 | 0 | 0 | 110.3 | Y136 A142 Y145 V152 V153 L154 | Y136-P150 HydrophobicContact CD2-CB 4.15Å; Y136-P150 HydrophobicContact CE1-CG 4.09Å; Y136-P150 HydrophobicContact CE2-CB 3.83Å; Y136-P150 HydrophobicContact CE2-CG 3.88Å; A142-P150 HydrophobicContact CB-CB 3.58Å; Y145-P150 HydrophobicContact CD1-CB 4.48Å; Y145-P150 HydrophobicContact CE1-CB 4.29Å; P150-V152 VanDerWaalsContact C-N 3.25Å; P150-V152 HydrophobicContact CB-CG1 4.39Å; P150-V152 PolarHBondContact O-N 3.36Å; P150-V153 HydrophobicContact CB-CG2 4.11Å; P150-V153 HydrophobicContact CG-CB 3.93Å; P150-V153 HydrophobicContact CG-CG2 3.54Å; P150-V153 PolarHBondContact O-N 3.32Å; P150-L154 PolarHBondContact O-N 3.45Å |
| 151 | V | 94.6 | Very high | 94.1 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -36.2 | -174.3 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | P76 E144 F146 F149 V153 L154 W155 | P76-V151 HydrophobicContact CB-CG1 3.96Å; P76-V151 HydrophobicContact CB-CG2 4.08Å; P76-V151 HydrophobicContact CG-CG1 4.31Å; P76-V151 HydrophobicContact CG-CG2 4.43Å; E144-V151 HydrophobicContact CB-CB 4.11Å; E144-V151 HydrophobicContact CB-CG2 4.11Å; E144-V151 HydrophobicContact CG-CB 4.35Å; E144-V151 HydrophobicContact CG-CG2 3.88Å; E144-V151 PolarHBondContact O-N 3.47Å; F146-V151 HydrophobicContact CB-CG2 3.67Å; F149-V151 PolarHBondContact O-N 3.37Å; V151-V153 VanDerWaalsContact C-N 3.27Å; V151-V153 PolarHBondContact O-N 3.43Å; V151-L154 WeakPolarHBondContact O-CB 3.3Å; V151-L154 PolarHBondContact O-N 3.23Å; V151-L154 VanDerWaalsContact O-N 3.13Å; V151-W155 VanDerWaalsContact CG1-CD1 3.47Å; V151-W155 HydrophobicContact CG1-CG 4.47Å; V151-W155 VanDerWaalsContact O-CD1 3.32Å; V151-W155 PolarHBondContact O-N 3.46Å |
| 152 | V | 95.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.2 | -40.2 | 175.1 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | Q132 L133 Y136 A142 P150 W155 Y156 | Q132-V152 HydrophobicContact CB-CG2 4.08Å; L133-V152 HydrophobicContact CB-CG2 3.9Å; L133-V152 HydrophobicContact CD1-CG2 4.31Å; Y136-V152 HydrophobicContact CG-CG1 4.31Å; A142-V152 HydrophobicContact CB-CG1 4.5Å; P150-V152 VanDerWaalsContact C-N 3.25Å; P150-V152 HydrophobicContact CB-CG1 4.39Å; P150-V152 PolarHBondContact O-N 3.36Å; V152-W155 PolarHBondContact O-N 3.5Å; V152-Y156 HydrophobicContact CG2-CD2 4.11Å; V152-Y156 HydrophobicContact CG2-CE2 4.05Å; V152-Y156 VanDerWaalsContact O-CD2 3.32Å; V152-Y156 WeakPolarHBondContact O-CD2 3.44Å; V152-Y156 PolarHBondContact O-N 3.25Å; V152-Y156 VanDerWaalsContact O-N 3.08Å |
| 153 | V | 95.8 | Very high | 94.7 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 29% | 0.285 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 178.6 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | Y136 P150 V151 W155 Y156 I157 | Y136-V153 HydrophobicContact CD1-CG2 3.78Å; Y136-V153 HydrophobicContact CE1-CG2 3.51Å; P150-V153 HydrophobicContact CB-CG2 4.11Å; P150-V153 HydrophobicContact CG-CB 3.93Å; P150-V153 HydrophobicContact CG-CG2 3.54Å; P150-V153 PolarHBondContact O-N 3.32Å; V151-V153 VanDerWaalsContact C-N 3.27Å; V151-V153 PolarHBondContact O-N 3.43Å; V153-W155 VanDerWaalsContact C-N 3.28Å; V153-W155 PolarHBondContact O-N 2.91Å; V153-Y156 PolarHBondContact O-N 3.08Å; V153-I157 HydrophobicContact CG1-CD1 4.3Å; V153-I157 WeakPolarHBondContact O-CG1 3.33Å; V153-I157 PolarHBondContact O-N 3.03Å |
| 154 | L | 94.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 36% | 0.356 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.2 | -62.6 | 177.1 | 0 | 0 | 0 | 111.2 | F146 F149 P150 V151 I157 F158 | F146-L154 HydrophobicContact CB-CD1 4.19Å; F146-L154 HydrophobicContact CD1-CD1 4.02Å; F149-L154 HydrophobicContact CB-CD1 4.25Å; P150-L154 PolarHBondContact O-N 3.45Å; V151-L154 WeakPolarHBondContact O-CB 3.3Å; V151-L154 PolarHBondContact O-N 3.23Å; V151-L154 VanDerWaalsContact O-N 3.13Å; L154-I157 PolarHBondContact O-N 3.29Å; L154-F158 PolarHBondContact O-N 2.89Å |
| 155 | W | 95.2 | Very high | 95.5 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.4 | -73.9 | 133.3 | 0 | 0 | 0 | 112.8 | K54 W81 E82 V151 V152 V153 I157 F158 F159 | K54-W155 HydrophobicContact CD-CH2 4.11Å; W81-W155 HydrophobicContact CH2-CD2 4.42Å; W81-W155 AromaticContact CH2-CE3 3.61Å; W81-W155 HydrophobicContact CH2-CE3 3.61Å; W81-W155 HydrophobicContact CH2-CH2 4.02Å; W81-W155 AromaticContact CH2-CZ3 3.4Å; W81-W155 HydrophobicContact CH2-CZ3 3.4Å; W81-W155 AromaticContact CZ2-CD2 3.86Å; W81-W155 HydrophobicContact CZ2-CD2 3.86Å; W81-W155 AromaticContact CZ2-CE3 3.51Å; W81-W155 HydrophobicContact CZ2-CE3 3.51Å; W81-W155 AromaticContact CZ2-CH2 3.82Å; W81-W155 HydrophobicContact CZ2-CH2 3.82Å; W81-W155 HydrophobicContact CZ2-CZ2 4.13Å; W81-W155 AromaticContact CZ2-CZ3 3.52Å; W81-W155 HydrophobicContact CZ2-CZ3 3.52Å; E82-W155 HydrophobicContact CG-CH2 4.24Å; V151-W155 VanDerWaalsContact CG1-CD1 3.47Å; V151-W155 HydrophobicContact CG1-CG 4.47Å; V151-W155 VanDerWaalsContact O-CD1 3.32Å; V151-W155 PolarHBondContact O-N 3.46Å; V152-W155 PolarHBondContact O-N 3.5Å; V153-W155 VanDerWaalsContact C-N 3.28Å; V153-W155 PolarHBondContact O-N 2.91Å; W155-I157 VanDerWaalsContact C-N 3.34Å; W155-I157 PolarHBondContact O-N 3.41Å; W155-F158 HydrophobicContact CE3-CB 4.43Å; W155-F158 HydrophobicContact CE3-CD1 4.34Å; W155-F158 HydrophobicContact CE3-CG 4.48Å; W155-F158 CarbonylContact O-C 3.53Å; W155-F158 WeakPolarHBondContact O-CB 3.28Å; W155-F158 PolarHBondContact O-N 3.48Å; W155-F159 HydrophobicContact CB-CD2 4.43Å; W155-F159 HydrophobicContact CB-CE2 3.83Å; W155-F159 HydrophobicContact CB-CZ 3.98Å; W155-F159 HydrophobicContact CG-CZ 4.5Å; W155-F159 WeakPolarHBondContact O-CB 3.49Å; W155-F159 VanDerWaalsContact O-CD2 3.23Å; W155-F159 WeakPolarHBondContact O-CD2 3.47Å; W155-F159 WeakPolarHBondContact O-CG 3.4Å; W155-F159 PolarHBondContact O-N 3.13Å |
| 156 | Y | 97.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.6 | -30.2 | 177.6 | -87.4 | -92.4 | 0 | 0 | 0 | 113.6 | A126 N129 V130 L133 V152 V153 F159 T160 | A126-Y156 HydrophobicContact CB-CE1 4.32Å; A126-Y156 PolarHBondContact O-OH 3.41Å; N129-Y156 HydrophobicContact CB-CE2 4.34Å; V130-Y156 WeakPolarHBondContact CA-OH 3.45Å; V130-Y156 PolarHBondContact N-OH 3.44Å; L133-Y156 HydrophobicContact CB-CD2 4.24Å; L133-Y156 HydrophobicContact CB-CE2 3.66Å; L133-Y156 HydrophobicContact CD1-CD2 4.18Å; L133-Y156 HydrophobicContact CD1-CE2 4.45Å; L133-Y156 HydrophobicContact CD2-CD1 3.84Å; L133-Y156 HydrophobicContact CD2-CD2 3.83Å; L133-Y156 HydrophobicContact CD2-CE1 3.71Å; L133-Y156 HydrophobicContact CD2-CE2 3.68Å; L133-Y156 HydrophobicContact CD2-CG 3.9Å; L133-Y156 HydrophobicContact CG-CD2 4.3Å; L133-Y156 HydrophobicContact CG-CE2 4.12Å; V152-Y156 HydrophobicContact CG2-CD2 4.11Å; V152-Y156 HydrophobicContact CG2-CE2 4.05Å; V152-Y156 VanDerWaalsContact O-CD2 3.32Å; V152-Y156 WeakPolarHBondContact O-CD2 3.44Å; V152-Y156 PolarHBondContact O-N 3.25Å; V152-Y156 VanDerWaalsContact O-N 3.08Å; V153-Y156 PolarHBondContact O-N 3.08Å; Y156-F159 HydrophobicContact CD1-CD2 4.36Å; Y156-F159 HydrophobicContact CD2-CD2 4.38Å; Y156-F159 HydrophobicContact CG-CD2 4.25Å; Y156-T160 WeakPolarHBondContact O-CB 3.3Å; Y156-T160 PolarHBondContact O-N 3.25Å; Y156-T160 PolarHBondContact O-OG1 3.44Å |
| 157 | I | 97.7 | Very high | 96.3 | Very high | 93 Ų | 93 | 52 Ų | 52 | 48% | 0.477 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 168.7 | -66.5 | 167.3 | 0 | 0 | 0 | 109.5 | V153 L154 W155 F159 T160 I161 | V153-I157 HydrophobicContact CG1-CD1 4.3Å; V153-I157 WeakPolarHBondContact O-CG1 3.33Å; V153-I157 PolarHBondContact O-N 3.03Å; L154-I157 PolarHBondContact O-N 3.29Å; W155-I157 VanDerWaalsContact C-N 3.34Å; W155-I157 PolarHBondContact O-N 3.41Å; I157-F159 PolarHBondContact O-N 3.36Å; I157-T160 PolarHBondContact O-N 2.95Å; I157-I161 HydrophobicContact CG2-CD1 3.9Å; I157-I161 WeakPolarHBondContact O-CG1 3.5Å; I157-I161 PolarHBondContact O-N 3.46Å; I157-I161 VanDerWaalsContact O-N 3.1Å |
| 158 | F | 97.5 | Very high | 96.7 | Very high | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 176.2 | 173.6 | -91 | 0 | 0 | 0 | 111.8 | L47 V51 W81 W85 I122 L154 W155 T160 I161 A162 | L47-F158 HydrophobicContact CB-CE2 4.16Å; L47-F158 HydrophobicContact CD1-CE2 4.38Å; L47-F158 HydrophobicContact CD2-CD2 4.11Å; L47-F158 HydrophobicContact CD2-CE2 3.94Å; L47-F158 HydrophobicContact CG-CE2 4.4Å; V51-F158 HydrophobicContact CG2-CE2 3.79Å; V51-F158 HydrophobicContact CG2-CZ 3.74Å; W81-F158 HydrophobicContact CH2-CD1 4.1Å; W81-F158 AromaticContact CH2-CE1 3.85Å; W81-F158 HydrophobicContact CH2-CE1 3.85Å; W81-F158 HydrophobicContact CZ3-CD1 4.47Å; W81-F158 AromaticContact CZ3-CE1 3.82Å; W81-F158 HydrophobicContact CZ3-CE1 3.82Å; W85-F158 HydrophobicContact CD2-CZ 4.39Å; W85-F158 HydrophobicContact CE3-CZ 4.1Å; W85-F158 HydrophobicContact CH2-CE2 4.49Å; W85-F158 AromaticContact CH2-CZ 3.97Å; W85-F158 HydrophobicContact CH2-CZ 3.97Å; W85-F158 HydrophobicContact CZ2-CZ 4.25Å; W85-F158 HydrophobicContact CZ3-CE2 4.48Å; W85-F158 AromaticContact CZ3-CZ 3.86Å; W85-F158 HydrophobicContact CZ3-CZ 3.86Å; I122-F158 HydrophobicContact CG2-CE1 4.24Å; L154-F158 PolarHBondContact O-N 2.89Å; W155-F158 HydrophobicContact CE3-CB 4.43Å; W155-F158 HydrophobicContact CE3-CD1 4.34Å; W155-F158 HydrophobicContact CE3-CG 4.48Å; W155-F158 CarbonylContact O-C 3.53Å; W155-F158 WeakPolarHBondContact O-CB 3.28Å; W155-F158 PolarHBondContact O-N 3.48Å; F158-T160 VanDerWaalsContact C-N 3.32Å; F158-T160 PolarHBondContact O-N 3.32Å; F158-I161 PolarHBondContact O-N 3.13Å; F158-A162 HydrophobicContact CE1-CB 4.26Å; F158-A162 HydrophobicContact CZ-CB 4.42Å; F158-A162 WeakPolarHBondContact O-CB 3.48Å; F158-A162 PolarHBondContact O-N 3.48Å |
| 159 | F | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 47.1 Ų | 47.1 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | 179.6 | -62.8 | -32.7 | 0 | 0 | 0 | 111.9 | W81 I122 A125 A126 W155 Y156 I157 F163 | W81-F159 HydrophobicContact CD2-CE1 4.46Å; W81-F159 HydrophobicContact CE3-CE1 4.33Å; W81-F159 AromaticContact CH2-CE1 3.59Å; W81-F159 HydrophobicContact CH2-CE1 3.59Å; W81-F159 HydrophobicContact CH2-CZ 4.25Å; W81-F159 AromaticContact CZ2-CE1 3.69Å; W81-F159 HydrophobicContact CZ2-CE1 3.69Å; W81-F159 AromaticContact CZ2-CZ 3.87Å; W81-F159 HydrophobicContact CZ2-CZ 3.87Å; W81-F159 AromaticContact CZ3-CE1 3.93Å; W81-F159 HydrophobicContact CZ3-CE1 3.93Å; I122-F159 HydrophobicContact CB-CD1 4.06Å; I122-F159 HydrophobicContact CG2-CD1 4.25Å; A125-F159 HydrophobicContact CB-CE1 3.89Å; A125-F159 HydrophobicContact CB-CE2 4.48Å; A125-F159 HydrophobicContact CB-CZ 3.67Å; A126-F159 HydrophobicContact CB-CD2 3.75Å; A126-F159 HydrophobicContact CB-CE2 4.18Å; A126-F159 HydrophobicContact CB-CG 4.23Å; W155-F159 HydrophobicContact CB-CD2 4.43Å; W155-F159 HydrophobicContact CB-CE2 3.83Å; W155-F159 HydrophobicContact CB-CZ 3.98Å; W155-F159 HydrophobicContact CG-CZ 4.5Å; W155-F159 WeakPolarHBondContact O-CB 3.49Å; W155-F159 VanDerWaalsContact O-CD2 3.23Å; W155-F159 WeakPolarHBondContact O-CD2 3.47Å; W155-F159 WeakPolarHBondContact O-CG 3.4Å; W155-F159 PolarHBondContact O-N 3.13Å; Y156-F159 HydrophobicContact CD1-CD2 4.36Å; Y156-F159 HydrophobicContact CD2-CD2 4.38Å; Y156-F159 HydrophobicContact CG-CD2 4.25Å; I157-F159 PolarHBondContact O-N 3.36Å; F159-F163 WeakPolarHBondContact O-CB 3.42Å; F159-F163 PolarHBondContact O-N 2.96Å |
| 160 | T | 98.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 41.7 Ų | 41.7 | 46% | 0.46 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 179.1 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | Y156 I157 F158 F163 Q164 | Y156-T160 WeakPolarHBondContact O-CB 3.3Å; Y156-T160 PolarHBondContact O-N 3.25Å; Y156-T160 PolarHBondContact O-OG1 3.44Å; I157-T160 PolarHBondContact O-N 2.95Å; F158-T160 VanDerWaalsContact C-N 3.32Å; F158-T160 PolarHBondContact O-N 3.32Å; T160-F163 PolarHBondContact O-N 3.31Å; T160-Q164 WeakPolarHBondContact O-CG 3.46Å; T160-Q164 PolarHBondContact O-N 2.77Å; T160-Q164 VanDerWaalsContact O-N 3.14Å |
| 161 | I | 98.7 | Very high | 97.6 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 178.7 | -64.7 | 170.1 | 0 | 0 | 0 | 110.3 | L47 I157 F158 F163 Q164 I165 | L47-I161 HydrophobicContact CD1-CG2 4.3Å; I157-I161 HydrophobicContact CG2-CD1 3.9Å; I157-I161 WeakPolarHBondContact O-CG1 3.5Å; I157-I161 PolarHBondContact O-N 3.46Å; I157-I161 VanDerWaalsContact O-N 3.1Å; F158-I161 PolarHBondContact O-N 3.13Å; I161-F163 PolarHBondContact O-N 3.32Å; I161-Q164 PolarHBondContact O-N 3.4Å; I161-I165 HydrophobicContact CG2-CD1 3.85Å; I161-I165 WeakPolarHBondContact O-CG1 3.38Å; I161-I165 PolarHBondContact O-N 3.38Å |
| 162 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L47 I122 F158 Q164 I165 H166 | L47-A162 HydrophobicContact CD1-CB 4.16Å; I122-A162 HydrophobicContact CD1-CB 3.78Å; I122-A162 HydrophobicContact CG2-CB 4.47Å; F158-A162 HydrophobicContact CE1-CB 4.26Å; F158-A162 HydrophobicContact CZ-CB 4.42Å; F158-A162 WeakPolarHBondContact O-CB 3.48Å; F158-A162 PolarHBondContact O-N 3.48Å; A162-Q164 VanDerWaalsContact C-N 3.33Å; A162-Q164 PolarHBondContact O-N 3.02Å; A162-I165 PolarHBondContact O-N 3.21Å; A162-H166 PolarHBondContact O-N 3.29Å; A162-H166 PolarHBondContact O-ND1 3.29Å |
| 163 | F | 98.6 | Very high | 97.8 | Very high | 98 Ų | 98 | 44.6 Ų | 44.6 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.5 | -47.6 | 177.4 | 179.4 | -89.8 | 0 | 0 | 0 | 111.7 | L119 I122 T123 F159 T160 I161 I165 H166 V167 | L119-F163 HydrophobicContact CD1-CD2 3.47Å; L119-F163 VanDerWaalsContact CD1-CD2 3.47Å; L119-F163 HydrophobicContact CD1-CE2 3.83Å; L119-F163 HydrophobicContact CD1-CG 4.35Å; I122-F163 HydrophobicContact CD1-CB 4.25Å; T123-F163 HydrophobicContact CG2-CD2 4.27Å; T123-F163 HydrophobicContact CG2-CE2 4.42Å; F159-F163 WeakPolarHBondContact O-CB 3.42Å; F159-F163 PolarHBondContact O-N 2.96Å; T160-F163 PolarHBondContact O-N 3.31Å; I161-F163 PolarHBondContact O-N 3.32Å; F163-I165 PolarHBondContact O-N 3.33Å; F163-H166 PolarHBondContact O-N 3.31Å; F163-V167 HydrophobicContact CD1-CG2 4.14Å; F163-V167 HydrophobicContact CE1-CG2 3.76Å; F163-V167 HydrophobicContact CE2-CG2 4.27Å; F163-V167 HydrophobicContact CZ-CG2 3.82Å; F163-V167 WeakPolarHBondContact O-CG2 3.49Å; F163-V167 PolarHBondContact O-N 2.64Å |
| 164 | Q | 98.6 | Very high | 97.9 | Very high | 98 Ų | 98 | 45.7 Ų | 45.7 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 177.2 | -70.8 | 172.6 | -13.5 | 0 | 0 | 112 | T160 I161 A162 H166 V167 F168 | T160-Q164 WeakPolarHBondContact O-CG 3.46Å; T160-Q164 PolarHBondContact O-N 2.77Å; T160-Q164 VanDerWaalsContact O-N 3.14Å; I161-Q164 PolarHBondContact O-N 3.4Å; A162-Q164 VanDerWaalsContact C-N 3.33Å; A162-Q164 PolarHBondContact O-N 3.02Å; Q164-H166 PolarHBondContact O-N 3.25Å; Q164-V167 PolarHBondContact O-N 3.02Å; Q164-F168 HydrophobicContact CB-CD2 4.41Å; Q164-F168 HydrophobicContact CB-CE2 4.22Å; Q164-F168 WeakPolarHBondContact O-CB 3.32Å; Q164-F168 WeakPolarHBondContact O-CD2 3.31Å; Q164-F168 WeakPolarHBondContact O-CG 3.46Å; Q164-F168 PolarHBondContact O-N 3.24Å |
| 165 | I | 98.7 | Very high | 97.9 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 178.2 | -71.1 | 165.1 | 0 | 0 | 0 | 110.7 | M43 H44 L47 I161 A162 F163 F168 T169 | M43-I165 HydrophobicContact CB-CD1 3.82Å; M43-I165 HydrophobicContact CB-CG1 4.25Å; H44-I165 HydrophobicContact CB-CG2 3.93Å; L47-I165 HydrophobicContact CD1-CD1 3.52Å; L47-I165 HydrophobicContact CG-CD1 4.36Å; I161-I165 HydrophobicContact CG2-CD1 3.85Å; I161-I165 WeakPolarHBondContact O-CG1 3.38Å; I161-I165 PolarHBondContact O-N 3.38Å; A162-I165 PolarHBondContact O-N 3.21Å; F163-I165 PolarHBondContact O-N 3.33Å; I165-F168 PolarHBondContact O-N 3.28Å; I165-T169 WeakPolarHBondContact O-CB 3.36Å; I165-T169 PolarHBondContact O-N 3.11Å; I165-T169 PolarHBondContact O-OG1 3.5Å |
| 166 | H | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.5 | -46.3 | 180 | -64.8 | 107 | 0 | 0 | 0 | 111.7 | H44 W85 I114 G118 L119 I122 A162 F163 Q164 F168 T169 M170 | H44-H166 AromaticContact CE1-CD2 3.51Å; H44-H166 AromaticContact CE1-NE2 3.1Å; H44-H166 PolarHBondContact CE1-NE2 3.19Å; H44-H166 AromaticContact ND1-CD2 3.8Å; H44-H166 AromaticContact ND1-NE2 3.69Å; H44-H166 AromaticContact NE2-NE2 3.51Å; W85-H166 AromaticContact CE2-CE1 3.87Å; W85-H166 AromaticContact CZ2-CE1 3.89Å; W85-H166 AromaticContact NE1-CE1 3.23Å; W85-H166 PolarHBondContact NE1-CE1 3.24Å; W85-H166 AromaticContact NE1-NE2 3.4Å; W85-H166 PolarHBondContact NE1-NE2 3Å; I114-H166 HydrophobicContact CG2-CB 4.32Å; G118-H166 VanDerWaalsContact CA-NE2 3.29Å; G118-H166 WeakPolarHBondContact CA-NE2 3.23Å; G118-H166 PolarHBondContact O-CE1 3.46Å; L119-H166 HydrophobicContact CB-CB 4.21Å; L119-H166 HydrophobicContact CD1-CB 4.19Å; I122-H166 WeakPolarHBondContact CD1-ND1 3.18Å; A162-H166 PolarHBondContact O-N 3.29Å; A162-H166 PolarHBondContact O-ND1 3.29Å; F163-H166 PolarHBondContact O-N 3.31Å; Q164-H166 PolarHBondContact O-N 3.25Å; H166-F168 PolarHBondContact O-N 3.39Å; H166-T169 PolarHBondContact O-N 3.19Å; H166-M170 WeakPolarHBondContact O-CB 3.49Å; H166-M170 VanDerWaalsContact O-CG 3.26Å; H166-M170 WeakPolarHBondContact O-CG 3.5Å; H166-M170 PolarHBondContact O-N 3.45Å |
| 167 | V | 98.6 | Very high | 97.6 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 30% | 0.303 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 111 | F163 Q164 M170 V171 | F163-V167 HydrophobicContact CD1-CG2 4.14Å; F163-V167 HydrophobicContact CE1-CG2 3.76Å; F163-V167 HydrophobicContact CE2-CG2 4.27Å; F163-V167 HydrophobicContact CZ-CG2 3.82Å; F163-V167 WeakPolarHBondContact O-CG2 3.49Å; F163-V167 PolarHBondContact O-N 2.64Å; Q164-V167 PolarHBondContact O-N 3.02Å; V167-M170 PolarHBondContact O-N 2.92Å; V167-V171 WeakPolarHBondContact O-CG2 3.45Å; V167-V171 PolarHBondContact O-N 3.06Å |
| 168 | F | 98.5 | Very high | 97.2 | Very high | 110 Ų | 110 | 44.2 Ų | 44.2 | 48% | 0.482 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.8 | -70.5 | -41.9 | 0 | 0 | 0 | 112.3 | T40 Q164 I165 H166 M170 V171 F172 | T40-F168 HydrophobicContact CG2-CB 3.98Å; Q164-F168 HydrophobicContact CB-CD2 4.41Å; Q164-F168 HydrophobicContact CB-CE2 4.22Å; Q164-F168 WeakPolarHBondContact O-CB 3.32Å; Q164-F168 WeakPolarHBondContact O-CD2 3.31Å; Q164-F168 WeakPolarHBondContact O-CG 3.46Å; Q164-F168 PolarHBondContact O-N 3.24Å; I165-F168 PolarHBondContact O-N 3.28Å; H166-F168 PolarHBondContact O-N 3.39Å; F168-M170 VanDerWaalsContact C-N 3.29Å; F168-M170 PolarHBondContact O-N 3.24Å; F168-V171 PolarHBondContact O-N 3.48Å; F168-F172 HydrophobicContact CB-CD2 4.39Å; F168-F172 HydrophobicContact CB-CE2 3.82Å; F168-F172 HydrophobicContact CB-CZ 4.34Å; F168-F172 WeakPolarHBondContact O-CD2 3.4Å; F168-F172 VanDerWaalsContact O-CG 3.25Å; F168-F172 WeakPolarHBondContact O-CG 3.08Å; F168-F172 PolarHBondContact O-N 2.98Å |
| 169 | T | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 175.4 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | L37 T40 L41 I114 I165 H166 F172 A173 | L37-T169 HydrophobicContact CD1-CG2 3.56Å; T40-T169 VanDerWaalsContact CB-OG1 3.22Å; T40-T169 WeakPolarHBondContact CB-OG1 3.09Å; T40-T169 PolarHBondContact OG1-OG1 2.97Å; L41-T169 HydrophobicContact CD2-CG2 3.98Å; I114-T169 HydrophobicContact CD1-CG2 3.45Å; I114-T169 VanDerWaalsContact CD1-CG2 3.45Å; I114-T169 HydrophobicContact CG1-CG2 4.46Å; I165-T169 WeakPolarHBondContact O-CB 3.36Å; I165-T169 PolarHBondContact O-N 3.11Å; I165-T169 PolarHBondContact O-OG1 3.5Å; H166-T169 PolarHBondContact O-N 3.19Å; T169-F172 PolarHBondContact O-N 3.49Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.18Å |
| 170 | M | 98.3 | Very high | 96.5 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 177.4 | -72.3 | 173.1 | 70.7 | 0 | 0 | 112.2 | Y111 I114 L115 L119 H166 V167 F168 A173 T174 | Y111-M170 HydrophobicContact CD2-CB 4.13Å; Y111-M170 HydrophobicContact CD2-CG 4.22Å; Y111-M170 HydrophobicContact CE1-CE 3.87Å; Y111-M170 HydrophobicContact CE2-CB 3.7Å; Y111-M170 HydrophobicContact CE2-CE 3.79Å; Y111-M170 HydrophobicContact CE2-CG 4.04Å; Y111-M170 VanDerWaalsContact OH-CE 3.3Å; Y111-M170 WeakPolarHBondContact OH-CE 3.44Å; I114-M170 HydrophobicContact CB-CG 4.49Å; I114-M170 HydrophobicContact CG2-CG 3.69Å; I114-M170 HydrophobicContact CG2-SD 4.16Å; L115-M170 HydrophobicContact CB-CE 4.16Å; L115-M170 HydrophobicContact CD1-CE 4.06Å; L119-M170 HydrophobicContact CD2-SD 4.04Å; H166-M170 WeakPolarHBondContact O-CB 3.49Å; H166-M170 VanDerWaalsContact O-CG 3.26Å; H166-M170 WeakPolarHBondContact O-CG 3.5Å; H166-M170 PolarHBondContact O-N 3.45Å; V167-M170 PolarHBondContact O-N 2.92Å; F168-M170 VanDerWaalsContact C-N 3.29Å; F168-M170 PolarHBondContact O-N 3.24Å; M170-A173 PolarHBondContact O-N 3.01Å; M170-T174 PolarHBondContact O-N 3.49Å; M170-T174 PolarHBondContact O-OG1 3.39Å; M170-T174 VanDerWaalsContact O-OG1 3.05Å |
| 171 | V | 98.2 | Very high | 96 | Very high | 62 Ų | 62 | 45 Ų | 45 | 38% | 0.376 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -46.3 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | V167 F168 T174 K175 | V167-V171 WeakPolarHBondContact O-CG2 3.45Å; V167-V171 PolarHBondContact O-N 3.06Å; F168-V171 PolarHBondContact O-N 3.48Å; V171-T174 PolarHBondContact O-N 2.91Å; V171-K175 HydrophobicContact CG1-CD 4.49Å; V171-K175 WeakPolarHBondContact O-CG 3.43Å; V171-K175 PolarHBondContact O-N 3.28Å |
| 172 | F | 97.9 | Very high | 95.3 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.4 | -38.1 | 179.6 | -57.2 | -39.8 | 0 | 0 | 0 | 112.1 | R36 L37 T40 F168 T169 T174 K175 L176 | R36-F172 HydrophobicContact CB-CD1 4.14Å; R36-F172 HydrophobicContact CB-CD2 3.78Å; R36-F172 HydrophobicContact CB-CE1 4.11Å; R36-F172 HydrophobicContact CB-CE2 3.73Å; R36-F172 HydrophobicContact CB-CG 4.01Å; R36-F172 HydrophobicContact CB-CZ 3.92Å; R36-F172 HydrophobicContact CG-CZ 4.37Å; L37-F172 HydrophobicContact CB-CB 4.11Å; L37-F172 HydrophobicContact CD1-CB 4.35Å; T40-F172 HydrophobicContact CG2-CD2 3.92Å; T40-F172 HydrophobicContact CG2-CE2 3.73Å; F168-F172 HydrophobicContact CB-CD2 4.39Å; F168-F172 HydrophobicContact CB-CE2 3.82Å; F168-F172 HydrophobicContact CB-CZ 4.34Å; F168-F172 WeakPolarHBondContact O-CD2 3.4Å; F168-F172 VanDerWaalsContact O-CG 3.25Å; F168-F172 WeakPolarHBondContact O-CG 3.08Å; F168-F172 PolarHBondContact O-N 2.98Å; T169-F172 PolarHBondContact O-N 3.49Å; F172-T174 VanDerWaalsContact C-N 3.34Å; F172-T174 PolarHBondContact O-N 2.94Å; F172-K175 PolarHBondContact O-N 2.96Å; F172-L176 WeakPolarHBondContact O-CG 3.44Å; F172-L176 PolarHBondContact O-N 3.13Å |
| 173 | A | 97 | Very high | 94.5 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I107 Y111 T169 M170 L176 G177 | I107-A173 HydrophobicContact CD1-CB 3.87Å; I107-A173 HydrophobicContact CG1-CB 4.01Å; Y111-A173 HydrophobicContact CD2-CB 4.32Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.18Å; M170-A173 PolarHBondContact O-N 3.01Å; A173-L176 PolarHBondContact O-N 2.9Å; A173-G177 WeakPolarHBondContact O-CA 3.36Å; A173-G177 PolarHBondContact O-N 3.09Å |
| 174 | T | 96.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.6 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | Y111 M170 V171 F172 L176 G177 T178 | Y111-T174 WeakPolarHBondContact CE2-OG1 3.3Å; M170-T174 PolarHBondContact O-N 3.49Å; M170-T174 PolarHBondContact O-OG1 3.39Å; M170-T174 VanDerWaalsContact O-OG1 3.05Å; V171-T174 PolarHBondContact O-N 2.91Å; F172-T174 VanDerWaalsContact C-N 3.34Å; F172-T174 PolarHBondContact O-N 2.94Å; T174-L176 VanDerWaalsContact C-N 3.34Å; T174-L176 PolarHBondContact O-N 3.36Å; T174-G177 PolarHBondContact O-N 3.31Å; T174-T178 PolarHBondContact O-N 3.25Å; T174-T178 PolarHBondContact O-OG1 3.06Å |
| 175 | K | 95.4 | Very high | 92.6 | Very high | 110 Ų | 110 | 48.8 Ų | 48.8 | 48% | 0.478 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.8 | -72.8 | -178.2 | 179 | -176.7 | 0 | 112.1 | N33 V171 F172 T178 A179 | N33-K175 HydrophobicContact CB-CB 4.48Å; N33-K175 WeakPolarHBondContact OD1-CD 3Å; V171-K175 HydrophobicContact CG1-CD 4.49Å; V171-K175 WeakPolarHBondContact O-CG 3.43Å; V171-K175 PolarHBondContact O-N 3.28Å; F172-K175 PolarHBondContact O-N 2.96Å; K175-T178 PolarHBondContact O-N 3.43Å; K175-A179 PolarHBondContact O-N 3.32Å; K175-A179 VanDerWaalsContact O-N 3.08Å |
| 176 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -39.5 | 175.5 | -69.9 | 173.4 | 0 | 0 | 0 | 112.4 | S30 N33 K34 L37 F172 A173 T174 T178 A179 W180 | S30-L176 WeakPolarHBondContact O-CD2 3.32Å; N33-L176 HydrophobicContact CB-CD1 4.46Å; N33-L176 HydrophobicContact CB-CD2 3.71Å; N33-L176 HydrophobicContact CB-CG 3.84Å; K34-L176 HydrophobicContact CG-CD1 4.18Å; K34-L176 HydrophobicContact CG-CD2 3.81Å; L37-L176 HydrophobicContact CB-CD1 4.02Å; L37-L176 HydrophobicContact CD2-CD1 3.56Å; L37-L176 HydrophobicContact CG-CD1 4.41Å; F172-L176 WeakPolarHBondContact O-CG 3.44Å; F172-L176 PolarHBondContact O-N 3.13Å; A173-L176 PolarHBondContact O-N 2.9Å; T174-L176 VanDerWaalsContact C-N 3.34Å; T174-L176 PolarHBondContact O-N 3.36Å; L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 2.91Å; L176-A179 CarbonylContact O-C 3.57Å; L176-A179 PolarHBondContact O-N 2.94Å; L176-A179 VanDerWaalsContact O-N 3.13Å; L176-W180 HydrophobicContact CB-CD2 4.31Å; L176-W180 HydrophobicContact CB-CE3 4.37Å; L176-W180 HydrophobicContact CB-CH2 3.98Å; L176-W180 HydrophobicContact CB-CZ2 3.89Å; L176-W180 HydrophobicContact CB-CZ3 4.22Å; L176-W180 HydrophobicContact CD1-CH2 3.88Å; L176-W180 HydrophobicContact CD1-CZ2 3.96Å; L176-W180 HydrophobicContact CD2-CH2 4.38Å; L176-W180 HydrophobicContact CD2-CZ2 3.64Å; L176-W180 HydrophobicContact CG-CH2 4.3Å; L176-W180 HydrophobicContact CG-CZ2 4.03Å; L176-W180 WeakPolarHBondContact O-CB 3.22Å; L176-W180 PolarHBondContact O-N 3.13Å |
| 177 | G | 93 | Very high | 90.5 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.5 | -49.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F104 A173 T174 A179 W180 Q181 | F104-G177 WeakPolarHBondContact CD2-O 3.19Å; F104-G177 VanDerWaalsContact CE2-O 3.28Å; F104-G177 WeakPolarHBondContact CE2-O 3.48Å; A173-G177 WeakPolarHBondContact O-CA 3.36Å; A173-G177 PolarHBondContact O-N 3.09Å; T174-G177 PolarHBondContact O-N 3.31Å; G177-A179 PolarHBondContact O-N 3.48Å; G177-W180 PolarHBondContact O-N 2.83Å; G177-Q181 WeakPolarHBondContact O-CG 3.37Å; G177-Q181 PolarHBondContact O-N 2.99Å |
| 178 | T | 90.2 | Very high | 89.5 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.6 | -57 | 0 | 0 | 0 | 0 | 112.3 | T174 K175 L176 W180 Q181 | T174-T178 PolarHBondContact O-N 3.25Å; T174-T178 PolarHBondContact O-OG1 3.06Å; K175-T178 PolarHBondContact O-N 3.43Å; L176-T178 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 2.91Å; T178-W180 VanDerWaalsContact C-N 3.26Å; T178-W180 PolarHBondContact O-N 3.4Å; T178-Q181 PolarHBondContact O-N 3.5Å |
| 179 | A | 89.4 | Confident | 88.4 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 20% | 0.198 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.8 | -21.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H26 K175 L176 G177 | H26-A179 PolarHBondContact CE1-O 3.47Å; H26-A179 PolarHBondContact NE2-O 3.39Å; K175-A179 PolarHBondContact O-N 3.32Å; K175-A179 VanDerWaalsContact O-N 3.08Å; L176-A179 CarbonylContact O-C 3.57Å; L176-A179 PolarHBondContact O-N 2.94Å; L176-A179 VanDerWaalsContact O-N 3.13Å; G177-A179 PolarHBondContact O-N 3.48Å |
| 180 | W | 91.5 | Very high | 87.5 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 9.9 | -179.3 | -56.4 | -17.2 | 0 | 0 | 0 | 113 | S30 K34 I99 N102 F104 I107 L176 G177 T178 P182 | S30-W180 PolarHBondContact OG-NE1 3.35Å; K34-W180 HydrophobicContact CD-CZ2 4.21Å; K34-W180 HydrophobicContact CG-CZ2 3.81Å; I99-W180 HydrophobicContact CG1-CH2 4.41Å; N102-W180 VanDerWaalsContact C-CE3 3.47Å; N102-W180 HydrophobicContact CB-CD2 3.86Å; N102-W180 HydrophobicContact CB-CE3 4.47Å; N102-W180 HydrophobicContact CB-CG 3.86Å; N102-W180 WeakPolarHBondContact O-CB 3.36Å; F104-W180 HydrophobicContact CB-CB 4.42Å; F104-W180 WeakPolarHBondContact CB-O 3.49Å; I107-W180 HydrophobicContact CB-CE3 4.29Å; I107-W180 HydrophobicContact CB-CZ3 3.96Å; I107-W180 HydrophobicContact CG1-CZ3 4.22Å; I107-W180 HydrophobicContact CG2-CE3 3.91Å; I107-W180 HydrophobicContact CG2-CZ3 4.1Å; L176-W180 HydrophobicContact CB-CD2 4.31Å; L176-W180 HydrophobicContact CB-CE3 4.37Å; L176-W180 HydrophobicContact CB-CH2 3.98Å; L176-W180 HydrophobicContact CB-CZ2 3.89Å; L176-W180 HydrophobicContact CB-CZ3 4.22Å; L176-W180 HydrophobicContact CD1-CH2 3.88Å; L176-W180 HydrophobicContact CD1-CZ2 3.96Å; L176-W180 HydrophobicContact CD2-CH2 4.38Å; L176-W180 HydrophobicContact CD2-CZ2 3.64Å; L176-W180 HydrophobicContact CG-CH2 4.3Å; L176-W180 HydrophobicContact CG-CZ2 4.03Å; L176-W180 WeakPolarHBondContact O-CB 3.22Å; L176-W180 PolarHBondContact O-N 3.13Å; G177-W180 PolarHBondContact O-N 2.83Å; T178-W180 VanDerWaalsContact C-N 3.26Å; T178-W180 PolarHBondContact O-N 3.4Å; W180-P182 WeakPolarHBondContact O-CD 3.49Å |
| 181 | Q | 88.1 | Confident | 86.6 | Confident | 70 Ų | 70 | 66.8 Ų | 66.8 | 33% | 0.327 | 37% | 0.372 | S | S | . | . | trans | -60.7 | 129.2 | 176.6 | -73.8 | -178.7 | -5.7 | 0 | 0 | 110.8 | F104 G177 T178 | F104-Q181 HydrophobicContact CD2-CG 3.94Å; F104-Q181 HydrophobicContact CE2-CG 3.56Å; F104-Q181 HydrophobicContact CZ-CG 4.19Å; G177-Q181 WeakPolarHBondContact O-CG 3.37Å; G177-Q181 PolarHBondContact O-N 2.99Å; T178-Q181 PolarHBondContact O-N 3.5Å | ||
| 182 | P | 84.3 | Confident | 85.6 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | trans | -58.2 | 140.2 | 173.8 | -27.9 | 36.7 | 0 | 0 | 0 | 112.5 | W180 V184 R185 | W180-P182 WeakPolarHBondContact O-CD 3.49Å; P182-V184 PolarHBondContact O-N 3.21Å; P182-R185 WeakPolarHBondContact O-CB 2.98Å; P182-R185 PolarHBondContact O-N 2.99Å | ||
| 183 | A | 80.6 | Confident | 84.6 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 53% | 0.529 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -55 | -36.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R185 L186 Q187 | A183-R185 PolarHBondContact O-N 3.34Å; A183-L186 WeakPolarHBondContact O-CB 3.37Å; A183-L186 PolarHBondContact O-N 2.97Å; A183-Q187 PolarHBondContact O-N 3.38Å |
| 184 | V | 82.6 | Confident | 83.6 | Confident | 113 Ų | 113 | 79 Ų | 79 | 69% | 0.685 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -55 | -39 | 176.5 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | P182 Q187 S188 | P182-V184 PolarHBondContact O-N 3.21Å; V184-Q187 PolarHBondContact O-N 3.19Å; V184-S188 PolarHBondContact O-N 2.91Å; V184-S188 VanDerWaalsContact O-N 3.11Å |
| 185 | R | 74 | Confident | 82.3 | Confident | 118 Ų | 118 | 79.6 Ų | 79.6 | 45% | 0.445 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.7 | -31.2 | 178.1 | -75.5 | -165.4 | -88.8 | -98 | 4.5 | 112.9 | P182 A183 K189 | P182-R185 WeakPolarHBondContact O-CB 2.98Å; P182-R185 PolarHBondContact O-N 2.99Å; A183-R185 PolarHBondContact O-N 3.34Å; R185-K189 PolarHBondContact O-N 2.62Å |
| 186 | L | 76 | Confident | 80.7 | Confident | 93 Ų | 93 | 78.8 Ų | 78.8 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.5 | -38.3 | 176.5 | -62.7 | 175.5 | 0 | 0 | 0 | 111.2 | A183 A190 | A183-L186 WeakPolarHBondContact O-CB 3.37Å; A183-L186 PolarHBondContact O-N 2.97Å; L186-A190 PolarHBondContact O-N 3.16Å; L186-A190 VanDerWaalsContact O-N 3.09Å |
| 187 | Q | 77.3 | Confident | 79.2 | Confident | 130 Ų | 130 | 83 Ų | 83 | 61% | 0.607 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.6 | -49.2 | 176.6 | -72.6 | 177.9 | -0.2 | 0 | 0 | 111.9 | A183 V184 K189 A190 T191 | A183-Q187 PolarHBondContact O-N 3.38Å; V184-Q187 PolarHBondContact O-N 3.19Å; Q187-K189 VanDerWaalsContact C-N 3.3Å; Q187-K189 PolarHBondContact O-N 2.99Å; Q187-A190 WeakPolarHBondContact O-CB 3.24Å; Q187-A190 PolarHBondContact O-N 3.48Å; Q187-T191 PolarHBondContact O-N 3.11Å; Q187-T191 PolarHBondContact O-OG1 3.22Å; Q187-T191 VanDerWaalsContact O-OG1 3.13Å |
| 188 | S | 78.2 | Confident | 77.4 | Confident | 64 Ų | 64 | 88.6 Ų | 88.6 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.3 | -45.2 | 175.9 | 150.8 | 0 | 0 | 0 | 0 | 111.7 | V184 A190 T191 D192 | V184-S188 PolarHBondContact O-N 2.91Å; V184-S188 VanDerWaalsContact O-N 3.11Å; S188-A190 VanDerWaalsContact C-N 3.28Å; S188-A190 PolarHBondContact O-N 3.28Å; S188-T191 PolarHBondContact O-N 2.72Å; S188-D192 VanDerWaalsContact O-CG 3.29Å; S188-D192 PolarHBondContact O-N 3.2Å |
| 189 | K | 75.1 | Confident | 75.7 | Confident | 141 Ų | 141 | 92.6 Ų | 92.6 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -32 | 176.9 | -169.3 | 171.7 | -176.4 | 177.3 | 0 | 113.3 | R185 Q187 N193 | R185-K189 PolarHBondContact O-N 2.62Å; Q187-K189 VanDerWaalsContact C-N 3.3Å; Q187-K189 PolarHBondContact O-N 2.99Å; K189-N193 PolarHBondContact O-N 3.27Å; K189-N193 PolarHBondContact O-ND2 3.13Å |
| 190 | A | 79.9 | Confident | 74.3 | Confident | 52 Ų | 52 | 97.9 Ų | 97.9 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.3 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L186 Q187 S188 N194 | L186-A190 PolarHBondContact O-N 3.16Å; L186-A190 VanDerWaalsContact O-N 3.09Å; Q187-A190 WeakPolarHBondContact O-CB 3.24Å; Q187-A190 PolarHBondContact O-N 3.48Å; S188-A190 VanDerWaalsContact C-N 3.28Å; S188-A190 PolarHBondContact O-N 3.28Å; A190-N194 PolarHBondContact O-N 2.62Å |
| 191 | T | 80.5 | Confident | 72.6 | Confident | 94 Ų | 94 | 105 Ų | 105 | 58% | 0.577 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.1 | -45 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | Q187 S188 N193 N194 N195 | Q187-T191 PolarHBondContact O-N 3.11Å; Q187-T191 PolarHBondContact O-OG1 3.22Å; Q187-T191 VanDerWaalsContact O-OG1 3.13Å; S188-T191 PolarHBondContact O-N 2.72Å; T191-N193 VanDerWaalsContact C-N 3.31Å; T191-N193 PolarHBondContact O-N 3.03Å; T191-N194 PolarHBondContact O-N 2.89Å; T191-N195 PolarHBondContact O-N 3.45Å |
| 192 | D | 77 | Confident | 71.2 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.2 | -41 | 178.3 | -65.9 | -18.9 | 0 | 0 | 0 | 111.4 | S188 N194 N195 | S188-D192 VanDerWaalsContact O-CG 3.29Å; S188-D192 PolarHBondContact O-N 3.2Å; D192-N194 PolarHBondContact O-N 3.39Å; D192-N195 PolarHBondContact O-N 3.28Å |
| 193 | N | 76 | Confident | 69.7 | Low | 119 Ų | 119 | 114.6 Ų | 114.6 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.1 | -23.6 | 176.7 | -74.2 | -10.8 | 0 | 0 | 0 | 113.8 | K189 T191 | K189-N193 PolarHBondContact O-N 3.27Å; K189-N193 PolarHBondContact O-ND2 3.13Å; T191-N193 VanDerWaalsContact C-N 3.31Å; T191-N193 PolarHBondContact O-N 3.03Å |
| 194 | N | 76.2 | Confident | 69.1 | Low | 133 Ų | 133 | 117.1 Ų | 117.1 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 2.4 | -179.3 | -77.8 | -8.9 | 0 | 0 | 0 | 113.3 | A190 T191 D192 P196 | A190-N194 PolarHBondContact O-N 2.62Å; T191-N194 PolarHBondContact O-N 2.89Å; D192-N194 PolarHBondContact O-N 3.39Å; N194-P196 WeakPolarHBondContact O-CD 3.44Å |
| 195 | N | 70 | Confident | 68.4 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 43% | 0.433 | 62% | 0.618 | S | S | . | * | trans | -98.2 | 89.7 | 178.6 | -160.7 | 16.2 | 0 | 0 | 0 | 111 | T191 D192 T197 Q198 | T191-N195 PolarHBondContact O-N 3.45Å; D192-N195 PolarHBondContact O-N 3.28Å; N195-T197 PolarHBondContact O-N 3.23Å; N195-T197 PolarHBondContact OD1-OG1 2.64Å; N195-Q198 PolarHBondContact O-N 2.95Å | ||
| 196 | P | 60.4 | Low | 68.1 | Low | 92 Ų | 92 | 117.3 Ų | 117.3 | 60% | 0.597 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -66.4 | -18.2 | -173.8 | 26 | -35.4 | 0 | 0 | 0 | 114.1 | N194 Q198 K199 | N194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-Q198 PolarHBondContact O-N 3.21Å; P196-K199 PolarHBondContact O-N 3.38Å; P196-K199 VanDerWaalsContact O-N 3.13Å |
| 197 | T | 62.9 | Low | 67.6 | Low | 88 Ų | 88 | 118.7 Ų | 118.7 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -63 | -24.7 | 178.7 | 35.2 | 0 | 0 | 0 | 0 | 113.2 | N195 | N195-T197 PolarHBondContact O-N 3.23Å; N195-T197 PolarHBondContact OD1-OG1 2.64Å |
| 198 | Q | 55.9 | Low | 67 | Low | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -76.4 | -30.5 | 174 | -88.6 | -172.8 | -39.6 | 0 | 0 | 113.4 | N195 P196 L200 H201 | N195-Q198 PolarHBondContact O-N 2.95Å; P196-Q198 PolarHBondContact O-N 3.21Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.04Å; Q198-H201 PolarHBondContact O-N 3.29Å |
| 199 | K | 55 | Low | 66.3 | Low | 169 Ų | 169 | 121.6 Ų | 121.6 | 74% | 0.735 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -22 | -179.4 | -77.5 | -168.5 | 177.6 | -174.8 | 0 | 114 | P196 H201 | P196-K199 PolarHBondContact O-N 3.38Å; P196-K199 VanDerWaalsContact O-N 3.13Å; K199-H201 VanDerWaalsContact C-N 3.34Å |
| 200 | L | 58.1 | Low | 65.7 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 71% | 0.707 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -14.7 | 178 | -83.8 | 162.3 | 0 | 0 | 0 | 113.6 | Q198 | Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.04Å |
| 201 | H | 57.3 | Low | 64.6 | Low | 174 Ų | 174 | 125.5 Ų | 125.5 | 81% | 0.806 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -97.1 | -4.8 | 179 | -87.9 | -79.2 | 0 | 0 | 0 | 114.2 | Q198 K199 | Q198-H201 PolarHBondContact O-N 3.29Å; K199-H201 VanDerWaalsContact C-N 3.34Å |
| 202 | E | 57.5 | Low | 63.2 | Low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 68% | 0.677 | S | S | * | * | trans | -108.6 | -1.9 | 179.7 | -70.1 | -174.8 | 165.2 | 0 | 0 | 114 | ||||
| 203 | S | 52.7 | Low | 62 | Low | 150 Ų | 150 | 131.4 Ų | 131.4 | 100% | 1.049 | 69% | 0.694 | S | S | * | * | trans | -95.5 | 0 | 169.9 | 65.8 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 203 of 203 residues in 487.5 ms
(Link to these results)