| 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 | 62.9 | Low | 86.5 | Confident | 243 Ų | 243 | 108 Ų | 108 | 100% | 1.197 | 59% | 0.593 | S | S | * | * | 0 | 116.1 | 0 | -66.2 | 175.1 | 109 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.47Š| |||
| 2 | L | 72.1 | Confident | 87 | Confident | 105 Ų | 105 | 109.1 Ų | 109.1 | 55% | 0.55 | 60% | 0.596 | S | S | . | * | trans | -63.4 | 130.2 | 179.2 | -137.1 | 79 | 0 | 0 | 0 | 108.3 | T4 V6 Q7 L10 | L2-T4 PolarHBondContact O-N 3.19Å; L2-V6 HydrophobicContact CD2-CB 4.19Å; L2-V6 HydrophobicContact CD2-CG1 3.64Å; L2-V6 HydrophobicContact CG-CB 4.26Å; L2-V6 HydrophobicContact CG-CG1 4Å; L2-Q7 HydrophobicContact CB-CG 4.17Å; L2-Q7 HydrophobicContact CD2-CG 4.14Å; L2-L10 HydrophobicContact CD2-CD1 4.06Å | ||
| 3 | S | 85.8 | Confident | 87.5 | Confident | 69 Ų | 69 | 108.6 Ų | 108.6 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | trans | -56.4 | 137.8 | 178.6 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | M1 R5 V6 Q7 | M1-S3 PolarHBondContact O-N 3.47Å; S3-R5 PolarHBondContact O-N 2.89Å; S3-R5 VanDerWaalsContact O-N 3.07Å; S3-V6 WeakPolarHBondContact O-CA 3.02Å; S3-V6 WeakPolarHBondContact O-CB 3.18Å; S3-V6 PolarHBondContact O-N 2.06Å; S3-Q7 PolarHBondContact O-N 3.19Å | ||
| 4 | T | 89.4 | Confident | 87.6 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -52.5 | -32.7 | 179.3 | 41.1 | 0 | 0 | 0 | 0 | 112.3 | L2 V6 Q7 C8 | L2-T4 PolarHBondContact O-N 3.19Å; T4-V6 PolarHBondContact O-N 2.74Å; T4-Q7 PolarHBondContact O-N 2.82Å; T4-C8 PolarHBondContact O-N 3.12Å; T4-C8 PolarHBondContact O-SG 3.48Å |
| 5 | R | 86.4 | Confident | 87.8 | Confident | 209 Ų | 209 | 105.5 Ų | 105.5 | 79% | 0.789 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.7 | -38.6 | 175.1 | -63.3 | -158.1 | 176.2 | -159.2 | 0.4 | 113.2 | S3 A9 | S3-R5 PolarHBondContact O-N 2.89Å; S3-R5 VanDerWaalsContact O-N 3.07Å; R5-A9 WeakPolarHBondContact O-CB 3.25Å; R5-A9 PolarHBondContact O-N 3.28Å |
| 6 | V | 91.7 | Very high | 87.6 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 42% | 0.418 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.8 | -38.5 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | L2 S3 T4 A9 L10 | L2-V6 HydrophobicContact CD2-CB 4.19Å; L2-V6 HydrophobicContact CD2-CG1 3.64Å; L2-V6 HydrophobicContact CG-CB 4.26Å; L2-V6 HydrophobicContact CG-CG1 4Å; S3-V6 WeakPolarHBondContact O-CA 3.02Å; S3-V6 WeakPolarHBondContact O-CB 3.18Å; S3-V6 PolarHBondContact O-N 2.06Å; T4-V6 PolarHBondContact O-N 2.74Å; V6-A9 PolarHBondContact O-N 2.81Å; V6-L10 HydrophobicContact CG1-CD1 4.04Å; V6-L10 WeakPolarHBondContact O-CB 3.46Å; V6-L10 WeakPolarHBondContact O-CG 3.47Å; V6-L10 PolarHBondContact O-N 2.67Å |
| 7 | Q | 90.3 | Very high | 87.4 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 48% | 0.481 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -43.8 | 175 | -65.7 | 177.5 | -23.4 | 0 | 0 | 111.7 | L2 S3 T4 L10 A11 | L2-Q7 HydrophobicContact CB-CG 4.17Å; L2-Q7 HydrophobicContact CD2-CG 4.14Å; S3-Q7 PolarHBondContact O-N 3.19Å; T4-Q7 PolarHBondContact O-N 2.82Å; Q7-L10 PolarHBondContact O-N 2.77Å; Q7-A11 WeakPolarHBondContact O-CB 3.37Å; Q7-A11 PolarHBondContact O-N 2.85Å |
| 8 | C | 92.4 | Very high | 87.1 | Confident | 77 Ų | 77 | 99.3 Ų | 99.3 | 52% | 0.52 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.9 | -43 | 174.9 | -69 | 0 | 0 | 0 | 0 | 112 | T4 A11 L12 | T4-C8 PolarHBondContact O-N 3.12Å; T4-C8 PolarHBondContact O-SG 3.48Å; C8-A11 PolarHBondContact O-N 2.73Å; C8-L12 VanDerWaalsContact O-CG 3.31Å; C8-L12 WeakPolarHBondContact O-CG 3.42Å; C8-L12 PolarHBondContact O-N 2.68Å |
| 9 | A | 93.3 | Very high | 86.6 | Confident | 60 Ų | 60 | 99.7 Ų | 99.7 | 50% | 0.496 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | R5 V6 L12 L13 | R5-A9 WeakPolarHBondContact O-CB 3.25Å; R5-A9 PolarHBondContact O-N 3.28Å; V6-A9 PolarHBondContact O-N 2.81Å; A9-L12 PolarHBondContact O-N 3.06Å; A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 2.83Å |
| 10 | L | 93.2 | Very high | 85.9 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | 176.1 | -80.3 | 163.7 | 0 | 0 | 0 | 112.3 | L2 V6 Q7 L13 S14 | L2-L10 HydrophobicContact CD2-CD1 4.06Å; V6-L10 HydrophobicContact CG1-CD1 4.04Å; V6-L10 WeakPolarHBondContact O-CB 3.46Å; V6-L10 WeakPolarHBondContact O-CG 3.47Å; V6-L10 PolarHBondContact O-N 2.67Å; Q7-L10 PolarHBondContact O-N 2.77Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-S14 WeakPolarHBondContact O-CB 3.38Å; L10-S14 PolarHBondContact O-N 2.93Å; L10-S14 PolarHBondContact O-OG 2.74Å |
| 11 | A | 93.9 | Very high | 84.9 | Confident | 56 Ų | 56 | 97.8 Ų | 97.8 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.6 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q7 C8 L13 S14 L15 | Q7-A11 WeakPolarHBondContact O-CB 3.37Å; Q7-A11 PolarHBondContact O-N 2.85Å; C8-A11 PolarHBondContact O-N 2.73Å; A11-L13 PolarHBondContact O-N 3.35Å; A11-S14 PolarHBondContact O-N 2.89Å; A11-S14 PolarHBondContact O-OG 3.2Å; A11-L15 PolarHBondContact O-N 3.34Å |
| 12 | L | 93.1 | Very high | 84.7 | Confident | 121 Ų | 121 | 91.5 Ų | 91.5 | 63% | 0.634 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 176.9 | -69.9 | 173.5 | 0 | 0 | 0 | 112.1 | C8 A9 L15 A16 | C8-L12 VanDerWaalsContact O-CG 3.31Å; C8-L12 WeakPolarHBondContact O-CG 3.42Å; C8-L12 PolarHBondContact O-N 2.68Å; A9-L12 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.02Å |
| 13 | L | 92.8 | Very high | 83.8 | Confident | 103 Ų | 103 | 91.2 Ų | 91.2 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.7 | -174 | 68.5 | 0 | 0 | 0 | 111.4 | A9 L10 A11 L15 A16 L17 | A9-L13 WeakPolarHBondContact O-CB 3.32Å; A9-L13 PolarHBondContact O-N 2.83Å; L10-L13 PolarHBondContact O-N 3.48Å; A11-L13 PolarHBondContact O-N 3.35Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.07Å; L13-A16 PolarHBondContact O-N 3.03Å; L13-L17 HydrophobicContact CG-CD1 4.18Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.25Å; L13-L17 PolarHBondContact O-N 3.14Å |
| 14 | S | 88.9 | Confident | 82 | Confident | 71 Ų | 71 | 91.5 Ų | 91.5 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 178.3 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | L10 A11 A18 | L10-S14 WeakPolarHBondContact O-CB 3.38Å; L10-S14 PolarHBondContact O-N 2.93Å; L10-S14 PolarHBondContact O-OG 2.74Å; A11-S14 PolarHBondContact O-N 2.89Å; A11-S14 PolarHBondContact O-OG 3.2Å; S14-A18 WeakPolarHBondContact O-CB 3.24Å; S14-A18 PolarHBondContact O-N 3.06Å |
| 15 | L | 90.3 | Very high | 80.3 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 52% | 0.518 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.8 | -43.1 | 176.8 | -176.4 | 63.3 | 0 | 0 | 0 | 111.2 | A11 L12 L13 A18 I19 | A11-L15 PolarHBondContact O-N 3.34Å; L12-L15 PolarHBondContact O-N 3.27Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.07Å; L15-A18 PolarHBondContact O-N 3.39Å; L15-I19 HydrophobicContact CD1-CD1 4.19Å; L15-I19 HydrophobicContact CG-CD1 3.94Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.47Å; L15-I19 PolarHBondContact O-N 3.27Å |
| 16 | A | 85.8 | Confident | 78.6 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 40% | 0.397 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | L12 L13 A18 I19 S20 | L12-A16 WeakPolarHBondContact O-CB 3.47Å; L12-A16 PolarHBondContact O-N 3.02Å; L13-A16 PolarHBondContact O-N 3.03Å; A16-A18 VanDerWaalsContact C-N 3.32Å; A16-A18 PolarHBondContact O-N 2.75Å; A16-I19 PolarHBondContact O-N 3.28Å; A16-S20 WeakPolarHBondContact O-CB 3.47Å; A16-S20 PolarHBondContact O-N 3.46Å; A16-S20 PolarHBondContact O-OG 3.33Å; A16-S20 VanDerWaalsContact O-OG 3.11Å |
| 17 | L | 83.5 | Confident | 76.9 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -38.4 | 177.1 | -71.4 | 169.9 | 0 | 0 | 0 | 112.5 | L13 S21 | L13-L17 HydrophobicContact CG-CD1 4.18Å; L13-L17 VanDerWaalsContact O-CG 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.25Å; L13-L17 PolarHBondContact O-N 3.14Å; L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.21Å; L17-S21 PolarHBondContact O-OG 3.47Å |
| 18 | A | 82.6 | Confident | 75.4 | Confident | 48 Ų | 48 | 84.7 Ų | 84.7 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S14 L15 A16 S21 V22 | S14-A18 WeakPolarHBondContact O-CB 3.24Å; S14-A18 PolarHBondContact O-N 3.06Å; L15-A18 PolarHBondContact O-N 3.39Å; A16-A18 VanDerWaalsContact C-N 3.32Å; A16-A18 PolarHBondContact O-N 2.75Å; A18-S21 PolarHBondContact O-OG 3.2Å; A18-V22 VanDerWaalsContact O-CG2 3.31Å; A18-V22 WeakPolarHBondContact O-CG2 3.33Å; A18-V22 PolarHBondContact O-N 3.37Å |
| 19 | I | 77.9 | Confident | 73.9 | Confident | 106 Ų | 106 | 84.2 Ų | 84.2 | 54% | 0.544 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 177.1 | -65.5 | 164.1 | 0 | 0 | 0 | 110.3 | L15 A16 V22 S23 | L15-I19 HydrophobicContact CD1-CD1 4.19Å; L15-I19 HydrophobicContact CG-CD1 3.94Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.47Å; L15-I19 PolarHBondContact O-N 3.27Å; A16-I19 PolarHBondContact O-N 3.28Å; I19-V22 PolarHBondContact O-N 3.45Å; I19-S23 PolarHBondContact O-N 3.02Å |
| 20 | S | 71.8 | Confident | 72.4 | Confident | 81 Ų | 81 | 84.9 Ų | 84.9 | 57% | 0.566 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -36.4 | 177 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | A16 S23 A24 | A16-S20 WeakPolarHBondContact O-CB 3.47Å; A16-S20 PolarHBondContact O-N 3.46Å; A16-S20 PolarHBondContact O-OG 3.33Å; A16-S20 VanDerWaalsContact O-OG 3.11Å; S20-S23 PolarHBondContact O-N 3.03Å; S20-A24 PolarHBondContact O-N 3.24Å; S20-A24 VanDerWaalsContact O-N 3.08Å |
| 21 | S | 65.4 | Low | 70.9 | Confident | 78 Ų | 78 | 85.1 Ų | 85.1 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.2 | -30.5 | 176.8 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | L17 A18 A24 | L17-S21 WeakPolarHBondContact O-CB 3.44Å; L17-S21 PolarHBondContact O-N 3.21Å; L17-S21 PolarHBondContact O-OG 3.47Å; A18-S21 PolarHBondContact O-OG 3.2Å; S21-A24 PolarHBondContact O-N 2.95Å |
| 22 | V | 59.3 | Low | 69.5 | Low | 111 Ų | 111 | 89.2 Ų | 89.2 | 67% | 0.673 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.2 | -33.7 | 170.8 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | A18 I19 A24 A25 | A18-V22 VanDerWaalsContact O-CG2 3.31Å; A18-V22 WeakPolarHBondContact O-CG2 3.33Å; A18-V22 PolarHBondContact O-N 3.37Å; I19-V22 PolarHBondContact O-N 3.45Å; V22-A24 VanDerWaalsContact C-N 3.28Å; V22-A24 PolarHBondContact O-N 3.37Å; V22-A25 WeakPolarHBondContact O-CB 3.47Å; V22-A25 PolarHBondContact O-N 3.33Å |
| 23 | S | 51.9 | Low | 68.3 | Low | 100 Ų | 100 | 88.6 Ų | 88.6 | 70% | 0.699 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -75.8 | -15 | 176 | -146.4 | 0 | 0 | 0 | 0 | 113.6 | I19 S20 A25 | I19-S23 PolarHBondContact O-N 3.02Å; S20-S23 PolarHBondContact O-N 3.03Å; S23-A25 PolarHBondContact O-N 3.41Å |
| 24 | A | 49 | Very low | 67.1 | Low | 75 Ų | 75 | 86.1 Ų | 86.1 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S20 S21 V22 P26 | S20-A24 PolarHBondContact O-N 3.24Å; S20-A24 VanDerWaalsContact O-N 3.08Å; S21-A24 PolarHBondContact O-N 2.95Å; V22-A24 VanDerWaalsContact C-N 3.28Å; V22-A24 PolarHBondContact O-N 3.37Å; A24-P26 WeakPolarHBondContact O-CD 3.49Å |
| 25 | A | 52.7 | Low | 65.9 | Low | 61 Ų | 61 | 87.1 Ų | 87.1 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -61.2 | 122.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.1 | V22 S23 S27 | V22-A25 WeakPolarHBondContact O-CB 3.47Å; V22-A25 PolarHBondContact O-N 3.33Å; S23-A25 PolarHBondContact O-N 3.41Å; A25-S27 PolarHBondContact O-N 3.41Å |
| 26 | P | 51.3 | Low | 64.8 | Low | 118 Ų | 118 | 88.7 Ų | 88.7 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -50.3 | 119.1 | -176.9 | -25.3 | 32.5 | 0 | 0 | 0 | 109.3 | A24 D28 | A24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-D28 PolarHBondContact O-N 3.41Å |
| 27 | S | 55.5 | Low | 63.9 | Low | 67 Ų | 67 | 94 Ų | 94 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 137 | -160.2 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | A25 A29 K30 L31 | A25-S27 PolarHBondContact O-N 3.41Å; S27-A29 PolarHBondContact O-N 2.89Å; S27-K30 PolarHBondContact O-N 3.38Å; S27-L31 PolarHBondContact O-N 3.16Å |
| 28 | D | 58.6 | Low | 62.9 | Low | 93 Ų | 93 | 90.8 Ų | 90.8 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -43.4 | -23.6 | 169.7 | -166.9 | 3 | 0 | 0 | 0 | 113.4 | P26 R32 | P26-D28 PolarHBondContact O-N 3.41Å; D28-R32 VanDerWaalsContact O-CB 3.27Å; D28-R32 WeakPolarHBondContact O-CB 3.35Å; D28-R32 VanDerWaalsContact O-CG 3.28Å; D28-R32 WeakPolarHBondContact O-CG 3.49Å; D28-R32 PolarHBondContact O-N 3.05Å; D28-R32 IonicContact OD1-CZ 2.62Å; D28-R32 IonicContact OD1-NH1 3.67Å; D28-R32 PolarHBondContact OD1-NH1 3.45Å; D28-R32 IonicContact OD2-CZ 3.77Å; D28-R32 IonicContact OD2-NH1 3.31Å; D28-R32 PolarHBondContact OD2-NH1 3.23Å |
| 29 | A | 62.1 | Low | 61.9 | Low | 66 Ų | 66 | 95.5 Ų | 95.5 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S27 R32 Q33 | S27-A29 PolarHBondContact O-N 2.89Å; A29-R32 PolarHBondContact O-N 3.36Å; A29-Q33 VanDerWaalsContact O-CB 3.31Å; A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 PolarHBondContact O-N 3.02Å |
| 30 | K | 61.4 | Low | 61.3 | Low | 75 Ų | 75 | 98.2 Ų | 98.2 | 33% | 0.326 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.4 | -41.6 | 175.4 | -81.8 | -164.5 | -178.6 | 178.2 | 0 | 111.2 | S27 R32 Q33 L34 E59 | S27-K30 PolarHBondContact O-N 3.38Å; K30-R32 VanDerWaalsContact C-N 3.32Å; K30-R32 PolarHBondContact O-N 3.44Å; K30-Q33 PolarHBondContact O-N 3.32Å; K30-L34 WeakPolarHBondContact O-CB 3.26Å; K30-L34 VanDerWaalsContact O-CG 3.28Å; K30-L34 WeakPolarHBondContact O-CG 3.28Å; K30-L34 PolarHBondContact O-N 2.93Å; K30-E59 IonicContact NZ-OE1 2.87Å; K30-E59 PolarHBondContact NZ-OE1 3.01Å; K30-E59 IonicContact NZ-OE2 2.74Å; K30-E59 PolarHBondContact NZ-OE2 3.48Å |
| 31 | L | 60.9 | Low | 60.8 | Low | 101 Ų | 101 | 96.4 Ų | 96.4 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.8 | -177 | 64.3 | 0 | 0 | 0 | 110.9 | S27 L34 L35 | S27-L31 PolarHBondContact O-N 3.16Å; L31-L34 PolarHBondContact O-N 3.39Å; L31-L35 HydrophobicContact CD1-CD1 4.46Å; L31-L35 HydrophobicContact CG-CD1 4.12Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 VanDerWaalsContact O-CG 3.23Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 3Å |
| 32 | R | 64.8 | Low | 60.4 | Low | 141 Ų | 141 | 99.5 Ų | 99.5 | 53% | 0.532 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.2 | -41.6 | 173.8 | -81.5 | -172.3 | 165.6 | 92.2 | -1.9 | 112.8 | D28 A29 K30 L35 Q36 | D28-R32 VanDerWaalsContact O-CB 3.27Å; D28-R32 WeakPolarHBondContact O-CB 3.35Å; D28-R32 VanDerWaalsContact O-CG 3.28Å; D28-R32 WeakPolarHBondContact O-CG 3.49Å; D28-R32 PolarHBondContact O-N 3.05Å; D28-R32 IonicContact OD1-CZ 2.62Å; D28-R32 IonicContact OD1-NH1 3.67Å; D28-R32 PolarHBondContact OD1-NH1 3.45Å; D28-R32 IonicContact OD2-CZ 3.77Å; D28-R32 IonicContact OD2-NH1 3.31Å; D28-R32 PolarHBondContact OD2-NH1 3.23Å; A29-R32 PolarHBondContact O-N 3.36Å; K30-R32 VanDerWaalsContact C-N 3.32Å; K30-R32 PolarHBondContact O-N 3.44Å; R32-L35 PolarHBondContact O-N 3.19Å; R32-Q36 WeakPolarHBondContact O-CB 3.45Å; R32-Q36 WeakPolarHBondContact O-CG 3.29Å; R32-Q36 PolarHBondContact O-N 3.07Å |
| 33 | Q | 67.9 | Low | 60.3 | Low | 108 Ų | 108 | 96.8 Ų | 96.8 | 51% | 0.505 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.2 | -42.7 | 177.3 | -178.6 | 174.7 | -36.7 | 0 | 0 | 111.7 | A29 K30 Q36 R37 | A29-Q33 VanDerWaalsContact O-CB 3.31Å; A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 PolarHBondContact O-N 3.02Å; K30-Q33 PolarHBondContact O-N 3.32Å; Q33-Q36 PolarHBondContact O-N 2.67Å; Q33-R37 WeakPolarHBondContact O-CB 3.22Å; Q33-R37 PolarHBondContact O-N 3.17Å |
| 34 | L | 67.1 | Low | 60.7 | Low | 51 Ų | 51 | 94.7 Ų | 94.7 | 27% | 0.267 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 175.6 | -70.1 | 179.6 | 0 | 0 | 0 | 111.6 | K30 L31 R37 S38 T52 | K30-L34 WeakPolarHBondContact O-CB 3.26Å; K30-L34 VanDerWaalsContact O-CG 3.28Å; K30-L34 WeakPolarHBondContact O-CG 3.28Å; K30-L34 PolarHBondContact O-N 2.93Å; L31-L34 PolarHBondContact O-N 3.39Å; L34-R37 PolarHBondContact O-N 3.08Å; L34-S38 WeakPolarHBondContact O-CB 3.26Å; L34-S38 PolarHBondContact O-N 3.36Å; L34-T52 HydrophobicContact CD1-CG2 4Å; L34-T52 HydrophobicContact CD2-CG2 3.69Å; L34-T52 HydrophobicContact CG-CG2 4.35Å |
| 35 | L | 63.8 | Low | 61.1 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.4 | -45.5 | 174.9 | -73.3 | 173 | 0 | 0 | 0 | 111.8 | L31 R32 R37 S38 L39 | L31-L35 HydrophobicContact CD1-CD1 4.46Å; L31-L35 HydrophobicContact CG-CD1 4.12Å; L31-L35 WeakPolarHBondContact O-CB 3.43Å; L31-L35 VanDerWaalsContact O-CG 3.23Å; L31-L35 WeakPolarHBondContact O-CG 3.31Å; L31-L35 PolarHBondContact O-N 3Å; R32-L35 PolarHBondContact O-N 3.19Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.06Å; L35-S38 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-OG 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.09Å |
| 36 | Q | 68.1 | Low | 61.5 | Low | 132 Ų | 132 | 105.3 Ų | 105.3 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.3 | -42 | 174.7 | -78.1 | -178.1 | -75.8 | 0 | 0 | 111.6 | R32 Q33 S38 L39 M40 | R32-Q36 WeakPolarHBondContact O-CB 3.45Å; R32-Q36 WeakPolarHBondContact O-CG 3.29Å; R32-Q36 PolarHBondContact O-N 3.07Å; Q33-Q36 PolarHBondContact O-N 2.67Å; Q36-S38 VanDerWaalsContact C-N 3.3Å; Q36-S38 PolarHBondContact O-N 3.47Å; Q36-L39 PolarHBondContact O-N 3.38Å; Q36-M40 WeakPolarHBondContact O-CB 3.21Å; Q36-M40 WeakPolarHBondContact O-CG 3.47Å; Q36-M40 PolarHBondContact O-N 3.1Å |
| 37 | R | 65.4 | Low | 61.9 | Low | 159 Ų | 159 | 103.6 Ų | 103.6 | 60% | 0.6 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.6 | -33.9 | 176.2 | -166.9 | 168.6 | -179.3 | 86.8 | -2.2 | 111.9 | Q33 L34 L35 A41 | Q33-R37 WeakPolarHBondContact O-CB 3.22Å; Q33-R37 PolarHBondContact O-N 3.17Å; L34-R37 PolarHBondContact O-N 3.08Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.06Å; R37-A41 VanDerWaalsContact O-CB 3.26Å; R37-A41 WeakPolarHBondContact O-CB 3.44Å; R37-A41 PolarHBondContact O-N 2.9Å; R37-A41 VanDerWaalsContact O-N 3.17Å |
| 38 | S | 62.5 | Low | 62.3 | Low | 42 Ų | 42 | 103.1 Ų | 103.1 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.8 | -34.5 | 173.9 | 80.5 | 0 | 0 | 0 | 0 | 113.8 | L34 L35 Q36 | L34-S38 WeakPolarHBondContact O-CB 3.26Å; L34-S38 PolarHBondContact O-N 3.36Å; L35-S38 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-OG 3.27Å; Q36-S38 VanDerWaalsContact C-N 3.3Å; Q36-S38 PolarHBondContact O-N 3.47Å |
| 39 | L | 63.4 | Low | 62.7 | Low | 147 Ų | 147 | 101.1 Ų | 101.1 | 77% | 0.77 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76.1 | -27.8 | 178.5 | -72.5 | 167.1 | 0 | 0 | 0 | 112.3 | L35 Q36 | L35-L39 WeakPolarHBondContact O-CG 3.39Å; L35-L39 PolarHBondContact O-N 3.09Å; Q36-L39 PolarHBondContact O-N 3.38Å |
| 40 | M | 63.8 | Low | 62.9 | Low | 164 Ų | 164 | 105.7 Ų | 105.7 | 81% | 0.808 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -94.6 | -13.2 | -177.7 | -63.2 | -109.7 | 77.4 | 0 | 0 | 114 | Q36 | Q36-M40 WeakPolarHBondContact O-CB 3.21Å; Q36-M40 WeakPolarHBondContact O-CG 3.47Å; Q36-M40 PolarHBondContact O-N 3.1Å |
| 41 | A | 62.5 | Low | 63.3 | Low | 43 Ų | 43 | 106.1 Ų | 106.1 | 36% | 0.355 | 55% | 0.547 | S | S | . | . | trans | -94.2 | 125.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R37 A43 | R37-A41 VanDerWaalsContact O-CB 3.26Å; R37-A41 WeakPolarHBondContact O-CB 3.44Å; R37-A41 PolarHBondContact O-N 2.9Å; R37-A41 VanDerWaalsContact O-N 3.17Å; A41-A43 PolarHBondContact O-N 3.44Å; A41-A43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | P | 56.7 | Low | 63.8 | Low | 143 Ų | 143 | 103 Ų | 103 | 93% | 0.929 | 53% | 0.532 | S | S | * | . | trans | -76.8 | 12.7 | 174.2 | 31.6 | -33.9 | 0 | 0 | 0 | 113.3 | ||||
| 43 | A | 56.9 | Low | 64.2 | Low | 53 Ų | 53 | 100.9 Ų | 100.9 | 44% | 0.438 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -95.7 | 131.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | A41 E47 | A41-A43 PolarHBondContact O-N 3.44Å; A41-A43 VanDerWaalsContact O-N 3.11Å; A43-E47 HydrophobicContact CB-CB 3.96Å; A43-E47 HydrophobicContact CB-CG 4.42Å |
| 44 | G | 60.2 | Low | 64.6 | Low | 56 Ų | 56 | 99.8 Ų | 99.8 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | trans | -51.5 | 152.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q46 E47 | G44-Q46 PolarHBondContact O-N 3.43Å; G44-E47 PolarHBondContact O-N 3.3Å | ||
| 45 | K | 58.6 | Low | 65 | Low | 197 Ų | 197 | 100.4 Ų | 100.4 | 86% | 0.857 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -41.5 | -27.5 | -175.1 | -62.7 | 174.1 | 180 | 176.3 | 0 | 115.2 | A49 | K45-A49 WeakPolarHBondContact O-CB 3.37Å; K45-A49 PolarHBondContact O-N 3.07Å |
| 46 | Q | 59.1 | Low | 65.5 | Low | 162 Ų | 162 | 100.9 Ų | 100.9 | 76% | 0.757 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.7 | -40.6 | 178.4 | -172.3 | 165 | 17.3 | 0 | 0 | 114.4 | G44 A49 R50 | G44-Q46 PolarHBondContact O-N 3.43Å; Q46-A49 PolarHBondContact O-N 2.99Å; Q46-R50 WeakPolarHBondContact O-CB 3.23Å; Q46-R50 PolarHBondContact O-N 3.21Å |
| 47 | E | 60.8 | Low | 65.8 | Low | 83 Ų | 83 | 99.4 Ų | 99.4 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.6 | -33.4 | -180 | -69.1 | -58.1 | 139.3 | 0 | 0 | 111.5 | A43 G44 N51 | A43-E47 HydrophobicContact CB-CB 3.96Å; A43-E47 HydrophobicContact CB-CG 4.42Å; G44-E47 PolarHBondContact O-N 3.3Å; E47-N51 VanDerWaalsContact O-CG 3.23Å; E47-N51 PolarHBondContact O-N 3.31Å; E47-N51 VanDerWaalsContact O-N 3.07Å; E47-N51 PolarHBondContact O-ND2 3.46Å |
| 48 | L | 64.4 | Low | 66.2 | Low | 56 Ų | 56 | 95 Ų | 95 | 29% | 0.293 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -49.9 | 171 | -171.5 | 83.9 | 0 | 0 | 0 | 110.8 | R50 N51 T52 | L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 2.76Å; L48-N51 PolarHBondContact O-N 2.97Å; L48-T52 PolarHBondContact O-N 2.6Å; L48-T52 PolarHBondContact O-OG1 3.04Å; L48-T52 VanDerWaalsContact O-OG1 3.08Å |
| 49 | A | 65.4 | Low | 66.5 | Low | 52 Ų | 52 | 96.1 Ų | 96.1 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K45 Q46 T52 L53 | K45-A49 WeakPolarHBondContact O-CB 3.37Å; K45-A49 PolarHBondContact O-N 3.07Å; Q46-A49 PolarHBondContact O-N 2.99Å; A49-T52 VanDerWaalsContact C-OG1 3.29Å; A49-T52 VanDerWaalsContact CA-OG1 3.26Å; A49-T52 WeakPolarHBondContact CA-OG1 3.36Å; A49-T52 PolarHBondContact O-OG1 2.8Å; A49-L53 VanDerWaalsContact O-CB 3.24Å; A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 PolarHBondContact O-N 3.01Å |
| 50 | R | 67 | Low | 66.6 | Low | 162 Ų | 162 | 94.6 Ų | 94.6 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -45.9 | 175.9 | -172.2 | -178.7 | 179.2 | -175.2 | -0 | 111.6 | Q46 L48 L53 V54 | Q46-R50 WeakPolarHBondContact O-CB 3.23Å; Q46-R50 PolarHBondContact O-N 3.21Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 2.76Å; R50-L53 PolarHBondContact O-N 3.08Å; R50-V54 WeakPolarHBondContact O-CG2 3.27Å; R50-V54 PolarHBondContact O-N 2.87Å |
| 51 | N | 69.9 | Low | 66.7 | Low | 83 Ų | 83 | 89.8 Ų | 89.8 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 179.6 | -68.5 | -29.7 | 0 | 0 | 0 | 112.1 | E47 L48 L53 V54 E55 | E47-N51 VanDerWaalsContact O-CG 3.23Å; E47-N51 PolarHBondContact O-N 3.31Å; E47-N51 VanDerWaalsContact O-N 3.07Å; E47-N51 PolarHBondContact O-ND2 3.46Å; L48-N51 PolarHBondContact O-N 2.97Å; N51-L53 VanDerWaalsContact C-N 3.31Å; N51-L53 PolarHBondContact O-N 2.93Å; N51-V54 PolarHBondContact O-N 3.41Å; N51-E55 PolarHBondContact O-N 3.41Å; N51-E55 VanDerWaalsContact O-N 3.08Å |
| 52 | T | 71.9 | Confident | 66.5 | Low | 35 Ų | 35 | 93.3 Ų | 93.3 | 22% | 0.215 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 173.8 | 46.3 | 0 | 0 | 0 | 0 | 112.3 | L34 L48 A49 E55 L56 | L34-T52 HydrophobicContact CD1-CG2 4Å; L34-T52 HydrophobicContact CD2-CG2 3.69Å; L34-T52 HydrophobicContact CG-CG2 4.35Å; L48-T52 PolarHBondContact O-N 2.6Å; L48-T52 PolarHBondContact O-OG1 3.04Å; L48-T52 VanDerWaalsContact O-OG1 3.08Å; A49-T52 VanDerWaalsContact C-OG1 3.29Å; A49-T52 VanDerWaalsContact CA-OG1 3.26Å; A49-T52 WeakPolarHBondContact CA-OG1 3.36Å; A49-T52 PolarHBondContact O-OG1 2.8Å; T52-E55 PolarHBondContact O-N 2.83Å; T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.37Å; T52-L56 PolarHBondContact O-N 3.47Å |
| 53 | L | 73.1 | Confident | 66.7 | Low | 98 Ų | 98 | 91.1 Ų | 91.1 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.7 | -169.3 | 161.1 | 0 | 0 | 0 | 110.6 | A49 R50 N51 E55 L56 L57 | A49-L53 VanDerWaalsContact O-CB 3.24Å; A49-L53 WeakPolarHBondContact O-CB 3.38Å; A49-L53 PolarHBondContact O-N 3.01Å; R50-L53 PolarHBondContact O-N 3.08Å; N51-L53 VanDerWaalsContact C-N 3.31Å; N51-L53 PolarHBondContact O-N 2.93Å; L53-E55 VanDerWaalsContact C-N 3.32Å; L53-E55 PolarHBondContact O-N 3.11Å; L53-L56 PolarHBondContact O-N 2.87Å; L53-L57 HydrophobicContact CD2-CD1 3.33Å; L53-L57 HydrophobicContact CD2-CG 3.77Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 2.98Å |
| 54 | V | 75.7 | Confident | 66.6 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 175.7 | 171 | 0 | 0 | 0 | 0 | 111.5 | R50 N51 L57 S58 | R50-V54 WeakPolarHBondContact O-CG2 3.27Å; R50-V54 PolarHBondContact O-N 2.87Å; N51-V54 PolarHBondContact O-N 3.41Å; V54-L57 PolarHBondContact O-N 3.27Å; V54-S58 WeakPolarHBondContact O-CB 3.43Å; V54-S58 PolarHBondContact O-N 3.45Å |
| 55 | E | 74.9 | Confident | 66.4 | Low | 63 Ų | 63 | 95.9 Ų | 95.9 | 29% | 0.294 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 178.3 | -163.6 | 168 | -175 | 0 | 0 | 111.3 | N51 T52 L53 L57 S58 E59 | N51-E55 PolarHBondContact O-N 3.41Å; N51-E55 VanDerWaalsContact O-N 3.08Å; T52-E55 PolarHBondContact O-N 2.83Å; L53-E55 VanDerWaalsContact C-N 3.32Å; L53-E55 PolarHBondContact O-N 3.11Å; E55-L57 PolarHBondContact O-N 2.67Å; E55-S58 PolarHBondContact O-N 3.17Å; E55-S58 VanDerWaalsContact O-N 3.17Å; E55-S58 PolarHBondContact O-OG 3.45Å; E55-E59 PolarHBondContact O-N 3.06Å |
| 56 | L | 75.4 | Confident | 66.3 | Low | 104 Ų | 104 | 90.8 Ų | 90.8 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 175.6 | -68.8 | 172.4 | 0 | 0 | 0 | 113 | T52 L53 E59 L60 | T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.37Å; T52-L56 PolarHBondContact O-N 3.47Å; L53-L56 PolarHBondContact O-N 2.87Å; L56-E59 PolarHBondContact O-N 2.87Å; L56-L60 WeakPolarHBondContact O-CG 3.28Å; L56-L60 PolarHBondContact O-N 3.48Å |
| 57 | L | 73.6 | Confident | 66 | Low | 100 Ų | 100 | 85.9 Ų | 85.9 | 52% | 0.524 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 175.3 | -74.9 | -177.6 | 0 | 0 | 0 | 112.1 | L53 V54 E55 E59 L60 A61 | L53-L57 HydrophobicContact CD2-CD1 3.33Å; L53-L57 HydrophobicContact CD2-CG 3.77Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 2.98Å; V54-L57 PolarHBondContact O-N 3.27Å; E55-L57 PolarHBondContact O-N 2.67Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-L60 PolarHBondContact O-N 3.19Å; L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3.2Å |
| 58 | S | 73.6 | Confident | 65.7 | Low | 67 Ų | 67 | 87 Ų | 87 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.9 | -36.6 | 176.8 | 73 | 0 | 0 | 0 | 0 | 112.2 | V54 E55 H62 | V54-S58 WeakPolarHBondContact O-CB 3.43Å; V54-S58 PolarHBondContact O-N 3.45Å; E55-S58 PolarHBondContact O-N 3.17Å; E55-S58 VanDerWaalsContact O-N 3.17Å; E55-S58 PolarHBondContact O-OG 3.45Å; S58-H62 WeakPolarHBondContact O-CB 3.37Å; S58-H62 PolarHBondContact O-N 3.44Å |
| 59 | E | 69.2 | Low | 65 | Low | 66 Ų | 66 | 89.1 Ų | 89.1 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 174.7 | -73.2 | 173.5 | -138.5 | 0 | 0 | 111.8 | K30 E55 L56 L57 H62 V63 | K30-E59 IonicContact NZ-OE1 2.87Å; K30-E59 PolarHBondContact NZ-OE1 3.01Å; K30-E59 IonicContact NZ-OE2 2.74Å; K30-E59 PolarHBondContact NZ-OE2 3.48Å; E55-E59 PolarHBondContact O-N 3.06Å; L56-E59 PolarHBondContact O-N 2.87Å; L57-E59 VanDerWaalsContact C-N 3.32Å; E59-H62 PolarHBondContact O-N 2.85Å; E59-V63 WeakPolarHBondContact O-CG2 3.47Å; E59-V63 PolarHBondContact O-N 3.43Å |
| 60 | L | 65.3 | Low | 64.5 | Low | 115 Ų | 115 | 92.8 Ų | 92.8 | 60% | 0.602 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 176.3 | -76 | 168 | 0 | 0 | 0 | 112 | L56 L57 H62 V63 E64 | L56-L60 WeakPolarHBondContact O-CG 3.28Å; L56-L60 PolarHBondContact O-N 3.48Å; L57-L60 PolarHBondContact O-N 3.19Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 2.84Å; L60-V63 PolarHBondContact O-N 2.87Å; L60-E64 PolarHBondContact O-N 3.36Å |
| 61 | A | 66.1 | Low | 63.7 | Low | 63 Ų | 63 | 90.3 Ų | 90.3 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -34.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L57 N65 | L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3.2Å; A61-N65 PolarHBondContact O-N 2.89Å |
| 62 | H | 59 | Low | 62.7 | Low | 117 Ų | 117 | 91.6 Ų | 91.6 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.7 | -42.4 | 177.2 | -170.7 | 34 | 0 | 0 | 0 | 112.1 | S58 E59 L60 E64 N65 E66 | S58-H62 WeakPolarHBondContact O-CB 3.37Å; S58-H62 PolarHBondContact O-N 3.44Å; E59-H62 PolarHBondContact O-N 2.85Å; L60-H62 VanDerWaalsContact C-N 3.26Å; L60-H62 PolarHBondContact O-N 2.84Å; H62-E64 VanDerWaalsContact C-N 3.33Å; H62-E64 PolarHBondContact O-N 2.89Å; H62-N65 WeakPolarHBondContact O-CB 3.31Å; H62-N65 PolarHBondContact O-N 2.96Å; H62-E66 IonicContact CE1-OE1 2.6Å; H62-E66 PolarHBondContact CE1-OE1 3.34Å; H62-E66 VanDerWaalsContact CE1-OE1 3.31Å; H62-E66 IonicContact ND1-OE1 3.89Å; H62-E66 WeakPolarHBondContact O-CG 3.32Å; H62-E66 PolarHBondContact O-N 3.31Å; H62-E66 VanDerWaalsContact O-N 3.16Å |
| 63 | V | 60.3 | Low | 61.4 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | 177.2 | 172 | 0 | 0 | 0 | 0 | 112 | E59 L60 N65 E66 A67 | E59-V63 WeakPolarHBondContact O-CG2 3.47Å; E59-V63 PolarHBondContact O-N 3.43Å; L60-V63 PolarHBondContact O-N 2.87Å; V63-N65 VanDerWaalsContact C-N 3.3Å; V63-N65 PolarHBondContact O-N 3.08Å; V63-E66 PolarHBondContact O-N 2.8Å; V63-A67 WeakPolarHBondContact O-CB 3.49Å; V63-A67 PolarHBondContact O-N 3.48Å; V63-A67 VanDerWaalsContact O-N 3.1Å |
| 64 | E | 55.1 | Low | 60 | Low | 132 Ų | 132 | 95.8 Ų | 95.8 | 62% | 0.617 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.3 | -38.3 | 175.2 | -170.5 | 172.4 | -176.2 | 0 | 0 | 111.5 | L60 H62 I68 | L60-E64 PolarHBondContact O-N 3.36Å; H62-E64 VanDerWaalsContact C-N 3.33Å; H62-E64 PolarHBondContact O-N 2.89Å; E64-I68 HydrophobicContact CG-CD1 4.22Å; E64-I68 WeakPolarHBondContact O-CD1 3.4Å; E64-I68 VanDerWaalsContact O-CG1 3.25Å; E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 3.44Å |
| 65 | N | 55.8 | Low | 58.7 | Low | 76 Ų | 76 | 98.5 Ų | 98.5 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 176.8 | -166 | 76 | 0 | 0 | 0 | 112.5 | A61 H62 V63 A67 I68 E69 | A61-N65 PolarHBondContact O-N 2.89Å; H62-N65 WeakPolarHBondContact O-CB 3.31Å; H62-N65 PolarHBondContact O-N 2.96Å; V63-N65 VanDerWaalsContact C-N 3.3Å; V63-N65 PolarHBondContact O-N 3.08Å; N65-A67 VanDerWaalsContact C-N 3.29Å; N65-A67 PolarHBondContact O-N 3.47Å; N65-I68 PolarHBondContact O-N 3.03Å; N65-E69 PolarHBondContact ND2-OE1 2.62Å; N65-E69 PolarHBondContact O-N 2.74Å |
| 66 | E | 56.3 | Low | 57.1 | Low | 91 Ų | 91 | 98.5 Ų | 98.5 | 43% | 0.425 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.3 | -32.6 | 179 | -61.3 | -65.2 | 133.7 | 0 | 0 | 112.4 | H62 V63 L70 | H62-E66 IonicContact CE1-OE1 2.6Å; H62-E66 PolarHBondContact CE1-OE1 3.34Å; H62-E66 VanDerWaalsContact CE1-OE1 3.31Å; H62-E66 IonicContact ND1-OE1 3.89Å; H62-E66 WeakPolarHBondContact O-CG 3.32Å; H62-E66 PolarHBondContact O-N 3.31Å; H62-E66 VanDerWaalsContact O-N 3.16Å; V63-E66 PolarHBondContact O-N 2.8Å; E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 PolarHBondContact O-N 3.03Å; E66-L70 VanDerWaalsContact O-N 3.09Å |
| 67 | A | 54.3 | Low | 55.7 | Low | 59 Ų | 59 | 99.9 Ų | 99.9 | 49% | 0.488 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.2 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V63 N65 D71 | V63-A67 WeakPolarHBondContact O-CB 3.49Å; V63-A67 PolarHBondContact O-N 3.48Å; V63-A67 VanDerWaalsContact O-N 3.1Å; N65-A67 VanDerWaalsContact C-N 3.29Å; N65-A67 PolarHBondContact O-N 3.47Å; A67-D71 PolarHBondContact O-N 3.15Å |
| 68 | I | 53.1 | Low | 54.2 | Low | 107 Ų | 107 | 103.2 Ų | 103.2 | 55% | 0.549 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70 | -41.7 | 175.3 | -66.8 | 163.3 | 0 | 0 | 0 | 110.4 | E64 N65 L70 D71 D72 | E64-I68 HydrophobicContact CG-CD1 4.22Å; E64-I68 WeakPolarHBondContact O-CD1 3.4Å; E64-I68 VanDerWaalsContact O-CG1 3.25Å; E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 3.44Å; N65-I68 PolarHBondContact O-N 3.03Å; I68-L70 VanDerWaalsContact C-N 3.34Å; I68-L70 PolarHBondContact O-N 3.37Å; I68-D71 PolarHBondContact O-N 3.21Å; I68-D72 PolarHBondContact O-N 3.43Å; I68-D72 VanDerWaalsContact O-N 3.14Å |
| 69 | E | 51.1 | Low | 52.5 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 47% | 0.467 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.2 | -36.7 | 176.7 | -70.4 | -166.7 | -169.9 | 0 | 0 | 112.2 | N65 D71 D72 M73 | N65-E69 PolarHBondContact ND2-OE1 2.62Å; N65-E69 PolarHBondContact O-N 2.74Å; E69-D71 VanDerWaalsContact C-N 3.34Å; E69-D71 PolarHBondContact O-N 3.01Å; E69-D72 PolarHBondContact O-N 2.91Å; E69-M73 VanDerWaalsContact O-CG 3.25Å; E69-M73 WeakPolarHBondContact O-CG 3.28Å; E69-M73 PolarHBondContact O-N 2.99Å |
| 70 | L | 53.3 | Low | 51.2 | Low | 129 Ų | 129 | 113.2 Ų | 113.2 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.7 | -33.3 | 174.9 | -102 | 150.8 | 0 | 0 | 0 | 113.7 | E66 I68 S74 | E66-L70 WeakPolarHBondContact O-CB 3.42Å; E66-L70 PolarHBondContact O-N 3.03Å; E66-L70 VanDerWaalsContact O-N 3.09Å; I68-L70 VanDerWaalsContact C-N 3.34Å; I68-L70 PolarHBondContact O-N 3.37Å; L70-S74 PolarHBondContact O-N 3.39Å |
| 71 | D | 50.5 | Low | 50.1 | Low | 109 Ų | 109 | 115 Ų | 115 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.6 | -38.8 | 177.1 | -150.8 | 43.8 | 0 | 0 | 0 | 110.8 | A67 I68 E69 S74 | A67-D71 PolarHBondContact O-N 3.15Å; I68-D71 PolarHBondContact O-N 3.21Å; E69-D71 VanDerWaalsContact C-N 3.34Å; E69-D71 PolarHBondContact O-N 3.01Å; D71-S74 PolarHBondContact O-N 2.96Å; D71-S74 PolarHBondContact O-OG 3.31Å |
| 72 | D | 48.6 | Very low | 49 | Very low | 111 Ų | 111 | 116 Ų | 116 | 59% | 0.594 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.4 | -35.2 | 178.7 | -148 | 24.8 | 0 | 0 | 0 | 112.4 | I68 E69 S74 H75 G76 | I68-D72 PolarHBondContact O-N 3.43Å; I68-D72 VanDerWaalsContact O-N 3.14Å; E69-D72 PolarHBondContact O-N 2.91Å; D72-S74 PolarHBondContact O-N 3.22Å; D72-H75 PolarHBondContact O-N 3.29Å; D72-G76 PolarHBondContact O-N 3.11Å |
| 73 | M | 44.7 | Very low | 48.5 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 69% | 0.685 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.1 | -15.9 | 173.6 | -64.4 | -52.6 | 122.2 | 0 | 0 | 113.7 | E69 | E69-M73 VanDerWaalsContact O-CG 3.25Å; E69-M73 WeakPolarHBondContact O-CG 3.28Å; E69-M73 PolarHBondContact O-N 2.99Å |
| 74 | S | 45.4 | Very low | 48 | Very low | 81 Ų | 81 | 120 Ų | 120 | 57% | 0.566 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -82.6 | -20.8 | 174.5 | 82.9 | 0 | 0 | 0 | 0 | 113 | L70 D71 D72 | L70-S74 PolarHBondContact O-N 3.39Å; D71-S74 PolarHBondContact O-N 2.96Å; D71-S74 PolarHBondContact O-OG 3.31Å; D72-S74 PolarHBondContact O-N 3.22Å |
| 75 | H | 47.3 | Very low | 47.6 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -98.4 | -14.4 | 177.9 | -81.9 | -73.5 | 0 | 0 | 0 | 113.6 | D72 V77 | D72-H75 PolarHBondContact O-N 3.29Å; H75-V77 VanDerWaalsContact C-N 3.3Å; H75-V77 PolarHBondContact O-N 3.38Å |
| 76 | G | 41.3 | Very low | 47.5 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 28.1 | -173 | 0 | 0 | 0 | 0 | 0 | 118.3 | D72 | D72-G76 PolarHBondContact O-N 3.11Š|
| 77 | V | 46.2 | Very low | 47.2 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 81% | 0.806 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -11.2 | 172.4 | -177.2 | 0 | 0 | 0 | 0 | 113.4 | H75 | H75-V77 VanDerWaalsContact C-N 3.3Å; H75-V77 PolarHBondContact O-N 3.38Å |
| 78 | E | 41.1 | Very low | 47.2 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -142.2 | 65.4 | 179.6 | -63.4 | -159.2 | 162.5 | 0 | 0 | 114.2 | ||
| 79 | Q | 38.9 | Very low | 47.3 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | -163.2 | 94.2 | 143.1 | -133.4 | 142.5 | 85.3 | 0 | 0 | 112.6 | V82 | Q79-V82 HydrophobicContact CG-CG2 4.23Š| ||
| 80 | E | 40.8 | Very low | 47.1 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | trans | -56.3 | 133 | 151.1 | -145.2 | 164.4 | 166.8 | 0 | 0 | 108.3 | ||||
| 81 | D | 43.8 | Very low | 47.3 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | 54.6 | 85.1 | 167.1 | -64.6 | -39 | 0 | 0 | 0 | 118.7 | ||||
| 82 | V | 42.3 | Very low | 47.6 | Very low | 86 Ų | 86 | 132 Ų | 132 | 52% | 0.521 | 72% | 0.717 | S | S | . | * | trans | -137.7 | 107 | 148 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | Q79 L84 | Q79-V82 HydrophobicContact CG-CG2 4.23Å; V82-L84 VanDerWaalsContact C-N 3.31Å; V82-L84 HydrophobicContact CG1-CG 4.38Å; V82-L84 PolarHBondContact O-N 2.96Å | ||
| 83 | D | 47.8 | Very low | 48.1 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | trans | -48.9 | 95.8 | 157.1 | -176.6 | 30.2 | 0 | 0 | 0 | 108.8 | E85 | D83-E85 PolarHBondContact O-N 2.95Š| ||
| 84 | L | 50.6 | Low | 48.8 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -83.7 | 74.9 | 176.4 | -80.3 | 150 | 0 | 0 | 0 | 107.6 | V82 L86 | V82-L84 VanDerWaalsContact C-N 3.31Å; V82-L84 HydrophobicContact CG1-CG 4.38Å; V82-L84 PolarHBondContact O-N 2.96Å; L84-L86 PolarHBondContact O-N 3.35Å | ||
| 85 | E | 46.4 | Very low | 49.2 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -49.3 | 114.7 | 160.9 | -142.4 | 174.5 | 131.2 | 0 | 0 | 107.1 | D83 E87 | D83-E85 PolarHBondContact O-N 2.95Å; E85-E87 PolarHBondContact O-N 3.39Å | ||
| 86 | L | 53.2 | Low | 49.5 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 73% | 0.733 | S | S | * | * | trans | -66.8 | 78.9 | 179.3 | -176.4 | 71.8 | 0 | 0 | 0 | 108.8 | L84 R88 | L84-L86 PolarHBondContact O-N 3.35Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 3.44Å | ||
| 87 | E | 51.1 | Low | 50.4 | Low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | trans | -62.4 | 94.9 | 165.8 | -96.6 | -83.9 | 89.3 | 0 | 0 | 106.8 | E85 A89 | E85-E87 PolarHBondContact O-N 3.39Å; E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 2.89Å | ||
| 88 | R | 53.8 | Low | 50.8 | Low | 219 Ų | 219 | 138.6 Ų | 138.6 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | -55.4 | 101.2 | 165.8 | -179.8 | -175.8 | -172.9 | 82.5 | 0.3 | 105.9 | L86 P90 | L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 3.44Å; R88-P90 VanDerWaalsContact O-N 3.08Å | ||
| 89 | A | 55.3 | Low | 51.6 | Low | 78 Ų | 78 | 140 Ų | 140 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | trans | -42.8 | 123.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | E87 G91 | E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 2.89Å; A89-G91 PolarHBondContact O-N 3.46Å | ||
| 90 | P | 46.5 | Very low | 52.3 | Low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -65.6 | 98.1 | 174.9 | 25.5 | -29.5 | 0 | 0 | 0 | 105.2 | R88 | R88-P90 VanDerWaalsContact O-N 3.08Š| ||
| 91 | G | 57.6 | Low | 53.1 | Low | 51 Ų | 51 | 136.4 Ų | 136.4 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | trans | -47.6 | 141.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | A89 V93 | A89-G91 PolarHBondContact O-N 3.46Å; G91-V93 PolarHBondContact O-N 2.72Å | ||
| 92 | P | 56 | Low | 53.8 | Low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | trans | -47.9 | 120 | -172.1 | 18.1 | -30.6 | 0 | 0 | 0 | 107.9 | L94 | P92-L94 HydrophobicContact CB-CD2 4.46Å; P92-L94 WeakPolarHBondContact O-CG 3.41Å; P92-L94 PolarHBondContact O-N 3.32Å | ||
| 93 | V | 60.6 | Low | 54.6 | Low | 135 Ų | 135 | 131.7 Ų | 131.7 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -61 | 91.2 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 105.3 | G91 A95 | G91-V93 PolarHBondContact O-N 2.72Å; V93-A95 PolarHBondContact O-N 3.01Å | ||
| 94 | L | 58.1 | Low | 55.3 | Low | 122 Ų | 122 | 133.8 Ų | 133.8 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | trans | -69.6 | 94.6 | 176.5 | -65.8 | -176 | 0 | 0 | 0 | 104.1 | P92 | P92-L94 HydrophobicContact CB-CD2 4.46Å; P92-L94 WeakPolarHBondContact O-CG 3.41Å; P92-L94 PolarHBondContact O-N 3.32Å | ||
| 95 | A | 54.1 | Low | 55.6 | Low | 68 Ų | 68 | 131.4 Ų | 131.4 | 56% | 0.562 | 72% | 0.719 | S | S | * | * | trans | -41 | 138.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | V93 R97 | V93-A95 PolarHBondContact O-N 3.01Å; A95-R97 PolarHBondContact O-N 3.5Å | ||
| 96 | P | 54.9 | Low | 56 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -47.8 | 103.8 | -179.3 | -27.7 | 34.3 | 0 | 0 | 0 | 109.5 | E98 | P96-E98 VanDerWaalsContact C-N 3.33Å; P96-E98 PolarHBondContact O-N 2.93Å | ||
| 97 | R | 59.4 | Low | 56.1 | Low | 167 Ų | 167 | 130.5 Ų | 130.5 | 63% | 0.63 | 71% | 0.706 | S | S | * | * | trans | -71.3 | 98.7 | 179.8 | -92.7 | -175.3 | 161.7 | 104.3 | -3.2 | 106 | A95 R99 F107 | A95-R97 PolarHBondContact O-N 3.5Å; R97-R99 PolarHBondContact O-N 3.42Å; R97-F107 HydrophobicContact CB-CZ 4.32Å | ||
| 98 | E | 54.8 | Low | 56.2 | Low | 190 Ų | 190 | 133.9 Ų | 133.9 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 127.1 | 176 | -73.3 | -165.6 | 160.2 | 0 | 0 | 109.7 | P96 K100 | P96-E98 VanDerWaalsContact C-N 3.33Å; P96-E98 PolarHBondContact O-N 2.93Å; E98-K100 PolarHBondContact O-N 2.95Å |
| 99 | R | 57.2 | Low | 56.3 | Low | 199 Ų | 199 | 131 Ų | 131 | 75% | 0.751 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.4 | 171.8 | -66.6 | -177.1 | 175.1 | 166 | -0.6 | 107.5 | R97 A101 | R97-R99 PolarHBondContact O-N 3.42Å; R99-A101 PolarHBondContact O-N 2.97Å |
| 100 | K | 54.7 | Low | 56.4 | Low | 161 Ų | 161 | 132.5 Ų | 132.5 | 70% | 0.7 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121 | 165.1 | -158.2 | 175.1 | -174.4 | -172.5 | 0 | 107.5 | E98 G102 C103 | E98-K100 PolarHBondContact O-N 2.95Å; K100-G102 PolarHBondContact O-N 3.42Å; K100-G102 VanDerWaalsContact O-N 3.12Å; K100-C103 PolarHBondContact O-N 3.35Å |
| 101 | A | 56.3 | Low | 56.8 | Low | 106 Ų | 106 | 137.4 Ų | 137.4 | 88% | 0.876 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 119.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R99 | R99-A101 PolarHBondContact O-N 2.97Š|
| 102 | G | 59.4 | Low | 56.5 | Low | 86 Ų | 86 | 137.8 Ų | 137.8 | 89% | 0.887 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.2 | -6.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | K100 | K100-G102 PolarHBondContact O-N 3.42Å; K100-G102 VanDerWaalsContact O-N 3.12Å |
| 103 | C | 58.6 | Low | 56.4 | Low | 53 Ų | 53 | 137.9 Ų | 137.9 | 36% | 0.358 | 71% | 0.713 | S | S | . | * | trans | -100.5 | 114.3 | -178 | -138.1 | 0 | 0 | 0 | 0 | 111.5 | K100 C114 | K100-C103 PolarHBondContact O-N 3.35Å; C103-C114 HydrophobicContact CB-CB 4.23Å; C103-C114 WeakPolarHBondContact CB-SG 3.31Å; C103-C114 WeakPolarHBondContact SG-CB 3.37Å; C103-C114 CovalentContact SG-SG 2.06Å; C103-C114 PolarHBondContact SG-SG 2.98Å | ||
| 104 | K | 63.8 | Low | 56 | Low | 186 Ų | 186 | 137.2 Ų | 137.2 | 81% | 0.809 | 71% | 0.713 | S | S | * | * | trans | -100.8 | 10 | -168.6 | -157.4 | 173.8 | 177.5 | 178.6 | 0 | 114.6 | F106 | K104-F106 PolarHBondContact O-N 3.34Š| ||
| 105 | N | 55.8 | Low | 55.9 | Low | 105 Ų | 105 | 138 Ų | 138 | 56% | 0.561 | 72% | 0.716 | S | S | * | * | trans | -86.7 | 115.7 | 179.5 | -68.2 | -36.5 | 0 | 0 | 0 | 110.5 | T112 | N105-T112 WeakPolarHBondContact CB-OG1 3.48Å; N105-T112 PolarHBondContact ND2-OG1 3.46Å | ||
| 106 | F | 55.3 | Low | 56 | Low | 141 Ų | 141 | 141.7 Ų | 141.7 | 62% | 0.618 | 72% | 0.724 | S | S | * | * | trans | -67.9 | 143.1 | 176.7 | -85 | -101.5 | 0 | 0 | 0 | 110.7 | K104 W108 K109 | K104-F106 PolarHBondContact O-N 3.34Å; F106-W108 PolarHBondContact O-N 3.17Å; F106-K109 PolarHBondContact O-N 3.47Å | ||
| 107 | F | 55.5 | Low | 56 | Low | 164 Ų | 164 | 142.6 Ų | 142.6 | 72% | 0.719 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.8 | -12.8 | -171 | -92 | -91.5 | 0 | 0 | 0 | 118.7 | R97 | R97-F107 HydrophobicContact CB-CZ 4.32Š|
| 108 | W | 51.9 | Low | 55.8 | Low | 233 Ų | 233 | 141.1 Ų | 141.1 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -10.5 | -177.1 | 69.4 | -53.4 | 0 | 0 | 0 | 113.8 | F106 | F106-W108 PolarHBondContact O-N 3.17Š|
| 109 | K | 57 | Low | 55.9 | Low | 158 Ų | 158 | 138.1 Ų | 138.1 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -118.4 | 74.6 | 178.8 | -152.1 | 172.8 | -162.4 | 173.3 | 0 | 110.8 | F106 | F106-K109 PolarHBondContact O-N 3.47Š|
| 110 | T | 57 | Low | 55.8 | Low | 110 Ų | 110 | 134 Ų | 134 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | trans | 56.5 | 144.7 | 165.6 | 56.9 | 0 | 0 | 0 | 0 | 117.1 | T112 | T110-T112 PolarHBondContact O-N 2.86Å; T110-T112 PolarHBondContact O-OG1 3.07Å | ||
| 111 | F | 54.5 | Low | 55.9 | Low | 215 Ų | 215 | 132.1 Ų | 132.1 | 94% | 0.943 | 71% | 0.713 | S | S | * | * | trans | -62 | 73.1 | 175.1 | -147.4 | -90.2 | 0 | 0 | 0 | 109.3 | S113 | F111-S113 PolarHBondContact O-N 3.28Š| ||
| 112 | T | 52.5 | Low | 55.9 | Low | 60 Ų | 60 | 134.1 Ų | 134.1 | 37% | 0.368 | 70% | 0.7 | S | S | . | * | trans | -86.8 | 107.8 | -179.5 | 43.3 | 0 | 0 | 0 | 0 | 106.4 | N105 T110 C114 | N105-T112 WeakPolarHBondContact CB-OG1 3.48Å; N105-T112 PolarHBondContact ND2-OG1 3.46Å; T110-T112 PolarHBondContact O-N 2.86Å; T110-T112 PolarHBondContact O-OG1 3.07Å; T112-C114 PolarHBondContact O-N 2.95Å | ||
| 113 | S | 52.9 | Low | 55.6 | Low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -46.5 | 118.8 | 173.9 | 52.2 | 0 | 0 | 0 | 0 | 110.6 | F111 | F111-S113 PolarHBondContact O-N 3.28Š| ||
| 114 | C | 52.1 | Low | 55.3 | Low | 121 Ų | 121 | 145.8 Ų | 145.8 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -85.6 | 0 | 137.5 | 12.7 | 0 | 0 | 0 | 0 | 107.3 | C103 T112 | C103-C114 HydrophobicContact CB-CB 4.23Å; C103-C114 WeakPolarHBondContact CB-SG 3.31Å; C103-C114 WeakPolarHBondContact SG-CB 3.37Å; C103-C114 CovalentContact SG-SG 2.06Å; C103-C114 PolarHBondContact SG-SG 2.98Å; T112-C114 PolarHBondContact O-N 2.95Å |
Retrieved 114 of 114 residues in 58.1 ms
(Link to these results)