| 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 | 33.8 | Very low | 44.2 | Very low | 243 Ų | 243 | 121.5 Ų | 121.5 | 100% | 1.197 | 74% | 0.744 | S | S | * | * | 0 | 124.8 | 0 | -77.4 | 150.4 | 72.9 | 0 | 0 | 107.1 | |||||
| 2 | S | 45.1 | Very low | 45.7 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | trans | -65.1 | 141.8 | -162.4 | -37.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | Q | 36.8 | Very low | 47.3 | Very low | 201 Ų | 201 | 110.1 Ų | 110.1 | 94% | 0.939 | 67% | 0.671 | S | S | * | * | 177.2 | 134.2 | 110 | -64.7 | -134.8 | 8.1 | 0 | 0 | 105.2 | |||||
| 4 | G | 37.2 | Very low | 48.6 | Very low | 65 Ų | 65 | 109.4 Ų | 109.4 | 67% | 0.67 | 66% | 0.66 | S | S | * | * | cis | 176.2 | 149.7 | 5.8 | 0 | 0 | 0 | 0 | 0 | 102.6 | V6 | G4-V6 PolarHBondContact O-N 3.06Å; G4-V6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | D | 36.7 | Very low | 50.3 | Low | 150 Ų | 150 | 106.9 Ų | 106.9 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | trans | -37.5 | 115.8 | -179.7 | -69.3 | -84.9 | 0 | 0 | 0 | 113.4 | S7 | D5-S7 WeakPolarHBondContact CB-OG 3.48Å; D5-S7 PolarHBondContact O-N 3.36Å | ||
| 6 | V | 51.8 | Low | 51.9 | Low | 129 Ų | 129 | 100.2 Ų | 100.2 | 78% | 0.782 | 60% | 0.604 | S | S | * | * | trans | -79.2 | 70.1 | 158.9 | 63 | 0 | 0 | 0 | 0 | 107 | G4 T8 | G4-V6 PolarHBondContact O-N 3.06Å; G4-V6 VanDerWaalsContact O-N 3.07Å; V6-T8 PolarHBondContact O-N 3.45Å | ||
| 7 | S | 45.2 | Very low | 53.1 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | trans | -60.7 | 118.6 | 175.6 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | D5 | D5-S7 WeakPolarHBondContact CB-OG 3.48Å; D5-S7 PolarHBondContact O-N 3.36Å | ||
| 8 | T | 43 | Very low | 54.3 | Low | 128 Ų | 128 | 95.3 Ų | 95.3 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 55 | 70.2 | 130.2 | 64.2 | 0 | 0 | 0 | 0 | 117.4 | V6 | V6-T8 PolarHBondContact O-N 3.45Š|
| 9 | C | 43.3 | Very low | 55.5 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 66% | 0.662 | 54% | 0.538 | S | S | * | . | trans | 178.4 | 38.5 | 142.9 | -97.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 10 | S | 51.8 | Low | 56.6 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82 | -30.8 | -158.7 | -154.8 | 0 | 0 | 0 | 0 | 115.2 | Q13 I14 | S10-Q13 PolarHBondContact O-N 3.46Å; S10-I14 WeakPolarHBondContact O-CB 3.47Å; S10-I14 VanDerWaalsContact O-CG1 3.22Å; S10-I14 WeakPolarHBondContact O-CG1 3.28Å; S10-I14 PolarHBondContact O-N 2.68Å; S10-I14 WeakPolarHBondContact OG-CD1 3.43Å |
| 11 | A | 61.1 | Low | 57.4 | Low | 71 Ų | 71 | 86.4 Ų | 86.4 | 59% | 0.587 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -51.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q13 V15 | A11-Q13 VanDerWaalsContact C-N 3.32Å; A11-Q13 PolarHBondContact O-N 3.45Å; A11-V15 WeakPolarHBondContact O-CB 3.49Å; A11-V15 WeakPolarHBondContact O-CG2 2.98Å; A11-V15 PolarHBondContact O-N 2.99Å; A11-V15 VanDerWaalsContact O-N 3.09Å |
| 12 | P | 63 | Low | 59.4 | Low | 53 Ų | 53 | 80.7 Ų | 80.7 | 34% | 0.344 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -32.3 | -178.2 | 24.4 | -33 | 0 | 0 | 0 | 113 | F16 M35 | P12-F16 WeakPolarHBondContact O-CB 3.44Å; P12-F16 PolarHBondContact O-N 3.42Å; P12-F16 VanDerWaalsContact O-N 3.08Å; P12-M35 HydrophobicContact CB-CE 3.9Å; P12-M35 HydrophobicContact CB-CG 4.45Å; P12-M35 HydrophobicContact CB-SD 3.45Å; P12-M35 WeakPolarHBondContact CB-SD 3.5Å; P12-M35 WeakPolarHBondContact O-CE 3.46Å |
| 13 | Q | 65.9 | Low | 60.6 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 19% | 0.192 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -74 | -43.5 | -179 | -145.1 | 114.8 | 36.1 | 0 | 0 | 112.1 | S10 A11 F16 Q17 N41 S44 | S10-Q13 PolarHBondContact O-N 3.46Å; A11-Q13 VanDerWaalsContact C-N 3.32Å; A11-Q13 PolarHBondContact O-N 3.45Å; Q13-F16 PolarHBondContact O-N 3.15Å; Q13-Q17 PolarHBondContact O-N 3.32Å; Q13-N41 PolarHBondContact NE2-O 3Å; Q13-S44 WeakPolarHBondContact CG-OG 3.49Å; Q13-S44 VanDerWaalsContact NE2-CB 3.26Å; Q13-S44 PolarHBondContact NE2-OG 3.42Å |
| 14 | I | 66.4 | Low | 62.3 | Low | 100 Ų | 100 | 70 Ų | 70 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.2 | -70.2 | 173.1 | 0 | 0 | 0 | 110.2 | S10 F16 Q17 E18 | S10-I14 WeakPolarHBondContact O-CB 3.47Å; S10-I14 VanDerWaalsContact O-CG1 3.22Å; S10-I14 WeakPolarHBondContact O-CG1 3.28Å; S10-I14 PolarHBondContact O-N 2.68Å; S10-I14 WeakPolarHBondContact OG-CD1 3.43Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3.44Å; I14-Q17 PolarHBondContact O-N 2.91Å; I14-E18 WeakPolarHBondContact O-CB 3.48Å; I14-E18 PolarHBondContact O-N 3.31Å |
| 15 | V | 72.8 | Confident | 63.9 | Low | 72 Ų | 72 | 69.2 Ų | 69.2 | 44% | 0.436 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 178.9 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | A11 A19 L31 | A11-V15 WeakPolarHBondContact O-CB 3.49Å; A11-V15 WeakPolarHBondContact O-CG2 2.98Å; A11-V15 PolarHBondContact O-N 2.99Å; A11-V15 VanDerWaalsContact O-N 3.09Å; V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.46Å; V15-L31 HydrophobicContact CG1-CD1 4.2Å; V15-L31 HydrophobicContact CG1-CD2 4Å |
| 16 | F | 76.3 | Confident | 65.6 | Low | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 174.8 | 170.6 | -100.8 | 0 | 0 | 0 | 112.4 | P12 Q13 I14 E18 A19 V20 L28 L32 M35 F40 A52 L68 | P12-F16 WeakPolarHBondContact O-CB 3.44Å; P12-F16 PolarHBondContact O-N 3.42Å; P12-F16 VanDerWaalsContact O-N 3.08Å; Q13-F16 PolarHBondContact O-N 3.15Å; I14-F16 VanDerWaalsContact C-N 3.29Å; I14-F16 PolarHBondContact O-N 3.44Å; F16-E18 VanDerWaalsContact C-N 3.32Å; F16-E18 PolarHBondContact O-N 2.97Å; F16-A19 WeakPolarHBondContact O-CB 3.28Å; F16-A19 PolarHBondContact O-N 3.49Å; F16-A19 VanDerWaalsContact O-N 3.16Å; F16-V20 HydrophobicContact CD1-CG2 4.37Å; F16-V20 HydrophobicContact CE1-CG2 4.13Å; F16-V20 HydrophobicContact CZ-CG2 4.22Å; F16-V20 WeakPolarHBondContact O-CG2 3.47Å; F16-V20 PolarHBondContact O-N 3.31Å; F16-L28 HydrophobicContact CD2-CD2 3.29Å; F16-L28 HydrophobicContact CE2-CD2 3.17Å; F16-L28 HydrophobicContact CG-CD2 4.24Å; F16-L28 HydrophobicContact CZ-CD2 4.07Å; F16-L32 HydrophobicContact CD2-CD2 4.13Å; F16-L32 HydrophobicContact CD2-CG 4.44Å; F16-L32 HydrophobicContact CE2-CD1 4.17Å; F16-L32 HydrophobicContact CE2-CD2 3.46Å; F16-L32 VanDerWaalsContact CE2-CD2 3.46Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.16Å; F16-M35 HydrophobicContact CB-CE 4.4Å; F16-F40 HydrophobicContact CB-CE2 3.91Å; F16-F40 HydrophobicContact CB-CZ 3.99Å; F16-F40 HydrophobicContact CD1-CE2 4.13Å; F16-F40 AromaticContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD2-CE1 4.31Å; F16-F40 HydrophobicContact CD2-CE2 4.27Å; F16-F40 AromaticContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CE1-CE1 4.35Å; F16-F40 AromaticContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE2-CE1 4.12Å; F16-F40 AromaticContact CE2-CZ 3.73Å; F16-F40 HydrophobicContact CE2-CZ 3.73Å; F16-F40 AromaticContact CG-CE2 3.87Å; F16-F40 HydrophobicContact CG-CE2 3.87Å; F16-F40 AromaticContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CG-CZ 3.42Å; F16-F40 VanDerWaalsContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CZ-CE1 4.1Å; F16-F40 AromaticContact CZ-CZ 3.74Å; F16-F40 HydrophobicContact CZ-CZ 3.74Å; F16-A52 HydrophobicContact CD1-CB 4.31Å; F16-A52 HydrophobicContact CE1-CB 3.36Å; F16-A52 HydrophobicContact CZ-CB 3.92Å; F16-L68 HydrophobicContact CE1-CD2 4.33Å; F16-L68 HydrophobicContact CE2-CD2 4.24Å; F16-L68 HydrophobicContact CZ-CD2 3.45Å; F16-L68 VanDerWaalsContact CZ-CD2 3.45Å |
| 17 | Q | 72.6 | Confident | 66.6 | Low | 24 Ų | 24 | 67.4 Ų | 67.4 | 11% | 0.112 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.6 | -32.9 | -176.4 | -154 | 148.7 | 38.9 | 0 | 0 | 112.4 | Q13 I14 V20 K21 G46 Q50 | Q13-Q17 PolarHBondContact O-N 3.32Å; I14-Q17 PolarHBondContact O-N 2.91Å; Q17-V20 PolarHBondContact O-N 3.47Å; Q17-K21 PolarHBondContact O-N 3.43Å; Q17-G46 VanDerWaalsContact CD-CA 3.48Å; Q17-Q50 PolarHBondContact NE2-O 3.38Å; Q17-Q50 VanDerWaalsContact NE2-O 3.13Å |
| 18 | E | 73.9 | Confident | 68 | Low | 88 Ų | 88 | 63.7 Ų | 63.7 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 168.8 | -174.2 | 56.1 | -148.5 | 0 | 0 | 111.2 | I14 F16 V20 K21 Q22 | I14-E18 WeakPolarHBondContact O-CB 3.48Å; I14-E18 PolarHBondContact O-N 3.31Å; F16-E18 VanDerWaalsContact C-N 3.32Å; F16-E18 PolarHBondContact O-N 2.97Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 2.97Å; E18-K21 WeakPolarHBondContact O-CB 3.44Å; E18-K21 PolarHBondContact O-N 2.91Å; E18-K21 VanDerWaalsContact O-N 3.12Å; E18-Q22 WeakPolarHBondContact O-CG 3.45Å; E18-Q22 PolarHBondContact O-N 3.42Å; E18-Q22 PolarHBondContact OE1-NE2 2.98Å; E18-Q22 VanDerWaalsContact OE1-NE2 3.09Å |
| 19 | A | 77.4 | Confident | 69.5 | Low | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V15 F16 G23 E27 L28 L31 | V15-A19 WeakPolarHBondContact O-CB 3.29Å; V15-A19 PolarHBondContact O-N 3.46Å; F16-A19 WeakPolarHBondContact O-CB 3.28Å; F16-A19 PolarHBondContact O-N 3.49Å; F16-A19 VanDerWaalsContact O-N 3.16Å; A19-G23 PolarHBondContact O-N 3.03Å; A19-E27 HydrophobicContact CB-CG 4.42Å; A19-L28 HydrophobicContact CB-CD2 4.23Å; A19-L28 HydrophobicContact CB-CG 4.06Å; A19-L31 HydrophobicContact CB-CD1 3.56Å |
| 20 | V | 78 | Confident | 71.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 170.9 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | F16 Q17 E18 Q22 G23 L28 A52 Q55 | F16-V20 HydrophobicContact CD1-CG2 4.37Å; F16-V20 HydrophobicContact CE1-CG2 4.13Å; F16-V20 HydrophobicContact CZ-CG2 4.22Å; F16-V20 WeakPolarHBondContact O-CG2 3.47Å; F16-V20 PolarHBondContact O-N 3.31Å; Q17-V20 PolarHBondContact O-N 3.47Å; E18-V20 VanDerWaalsContact C-N 3.29Å; E18-V20 PolarHBondContact O-N 2.97Å; V20-Q22 VanDerWaalsContact C-N 3.25Å; V20-Q22 PolarHBondContact O-N 3.36Å; V20-G23 PolarHBondContact O-N 3.23Å; V20-L28 HydrophobicContact CB-CD1 4.19Å; V20-L28 HydrophobicContact CG2-CD1 3.69Å; V20-L28 HydrophobicContact CG2-CD2 3.83Å; V20-L28 HydrophobicContact CG2-CG 4.33Å; V20-A52 HydrophobicContact CG1-CB 4.42Å; V20-A52 HydrophobicContact CG2-CB 3.68Å; V20-Q55 HydrophobicContact CG1-CB 3.85Å; V20-Q55 HydrophobicContact CG1-CG 3.88Å |
| 21 | K | 74.3 | Confident | 72.2 | Confident | 96 Ų | 96 | 59.8 Ų | 59.8 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 178.1 | -80.6 | -173.7 | 163.8 | -171.1 | 0 | 113 | Q17 E18 G23 Q55 | Q17-K21 PolarHBondContact O-N 3.43Å; E18-K21 WeakPolarHBondContact O-CB 3.44Å; E18-K21 PolarHBondContact O-N 2.91Å; E18-K21 VanDerWaalsContact O-N 3.12Å; K21-G23 PolarHBondContact O-N 3.43Å; K21-Q55 HydrophobicContact CG-CG 4.21Å |
| 22 | Q | 75.1 | Confident | 72.7 | Confident | 124 Ų | 124 | 56.5 Ų | 56.5 | 58% | 0.579 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -7.4 | 176.8 | -66.7 | -170.1 | 28.9 | 0 | 0 | 113.1 | E18 V20 N24 | E18-Q22 WeakPolarHBondContact O-CG 3.45Å; E18-Q22 PolarHBondContact O-N 3.42Å; E18-Q22 PolarHBondContact OE1-NE2 2.98Å; E18-Q22 VanDerWaalsContact OE1-NE2 3.09Å; V20-Q22 VanDerWaalsContact C-N 3.25Å; V20-Q22 PolarHBondContact O-N 3.36Å; Q22-N24 PolarHBondContact O-N 3.33Å; Q22-N24 VanDerWaalsContact O-N 3.13Å |
| 23 | G | 69.6 | Low | 73.1 | Confident | 30 Ų | 30 | 60.5 Ų | 60.5 | 31% | 0.309 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 10.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | A19 V20 K21 T25 | A19-G23 PolarHBondContact O-N 3.03Å; V20-G23 PolarHBondContact O-N 3.23Å; K21-G23 PolarHBondContact O-N 3.43Å; G23-T25 PolarHBondContact O-N 2.89Å |
| 24 | N | 72.6 | Confident | 73.1 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | trans | -81.8 | 85.5 | -174.3 | -169.3 | 0.2 | 0 | 0 | 0 | 110.7 | Q22 K26 E27 L28 | Q22-N24 PolarHBondContact O-N 3.33Å; Q22-N24 VanDerWaalsContact O-N 3.13Å; N24-K26 PolarHBondContact O-N 3.29Å; N24-K26 VanDerWaalsContact O-N 3.15Å; N24-E27 HydrophobicContact CB-CB 4.06Å; N24-E27 WeakPolarHBondContact ND2-CB 3.31Å; N24-E27 PolarHBondContact ND2-OE2 3.32Å; N24-E27 PolarHBondContact O-N 3.22Å; N24-L28 PolarHBondContact O-N 2.75Å | ||
| 25 | T | 70.7 | Confident | 73 | Confident | 49 Ų | 49 | 61 Ų | 61 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -29.3 | -176.6 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | G23 H29 L64 | G23-T25 PolarHBondContact O-N 2.89Å; T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.83Å; T25-L64 HydrophobicContact CG2-CD1 4.29Å; T25-L64 HydrophobicContact CG2-CD2 3.61Å; T25-L64 HydrophobicContact CG2-CG 3.71Å |
| 26 | K | 72.9 | Confident | 72.2 | Confident | 162 Ų | 162 | 62.5 Ų | 62.5 | 70% | 0.704 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.8 | -44.6 | 178.3 | -66.4 | -178.2 | -179.6 | 177 | 0 | 111.8 | N24 L28 H29 S30 | N24-K26 PolarHBondContact O-N 3.29Å; N24-K26 VanDerWaalsContact O-N 3.15Å; K26-L28 VanDerWaalsContact C-N 3.33Å; K26-H29 WeakPolarHBondContact O-CB 3.47Å; K26-H29 PolarHBondContact O-N 2.78Å; K26-S30 PolarHBondContact O-N 3.41Å; K26-S30 PolarHBondContact O-OG 2.98Å |
| 27 | E | 72.3 | Confident | 71.4 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 177.1 | -176 | 172.2 | -167.7 | 0 | 0 | 111 | A19 N24 H29 S30 L31 | A19-E27 HydrophobicContact CB-CG 4.42Å; N24-E27 HydrophobicContact CB-CB 4.06Å; N24-E27 WeakPolarHBondContact ND2-CB 3.31Å; N24-E27 PolarHBondContact ND2-OE2 3.32Å; N24-E27 PolarHBondContact O-N 3.22Å; E27-H29 PolarHBondContact O-N 3.39Å; E27-S30 PolarHBondContact O-N 3.06Å; E27-L31 HydrophobicContact CG-CD1 3.98Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 WeakPolarHBondContact O-CB 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.28Å; E27-L31 PolarHBondContact O-N 3.41Å |
| 28 | L | 74.1 | Confident | 70.5 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 172.5 | -93.9 | 174.4 | 0 | 0 | 0 | 113.4 | F16 A19 V20 N24 K26 L31 L32 L64 L67 | F16-L28 HydrophobicContact CD2-CD2 3.29Å; F16-L28 HydrophobicContact CE2-CD2 3.17Å; F16-L28 HydrophobicContact CG-CD2 4.24Å; F16-L28 HydrophobicContact CZ-CD2 4.07Å; A19-L28 HydrophobicContact CB-CD2 4.23Å; A19-L28 HydrophobicContact CB-CG 4.06Å; V20-L28 HydrophobicContact CB-CD1 4.19Å; V20-L28 HydrophobicContact CG2-CD1 3.69Å; V20-L28 HydrophobicContact CG2-CD2 3.83Å; V20-L28 HydrophobicContact CG2-CG 4.33Å; N24-L28 PolarHBondContact O-N 2.75Å; K26-L28 VanDerWaalsContact C-N 3.33Å; L28-L31 PolarHBondContact O-N 3.47Å; L28-L32 VanDerWaalsContact O-CB 3.31Å; L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.96Å; L28-L64 HydrophobicContact CB-CD2 4.4Å; L28-L64 HydrophobicContact CD1-CD1 4.2Å; L28-L64 HydrophobicContact CD1-CD2 3.37Å; L28-L64 HydrophobicContact CD1-CG 4.41Å; L28-L67 HydrophobicContact CB-CD2 4.13Å |
| 29 | H | 75.1 | Confident | 69.8 | Low | 92 Ų | 92 | 79 Ų | 79 | 43% | 0.426 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 174 | -108.8 | -73.1 | 0 | 0 | 0 | 111.9 | T25 K26 E27 Q33 L67 | T25-H29 WeakPolarHBondContact O-CB 3.49Å; T25-H29 PolarHBondContact O-N 2.83Å; K26-H29 WeakPolarHBondContact O-CB 3.47Å; K26-H29 PolarHBondContact O-N 2.78Å; E27-H29 PolarHBondContact O-N 3.39Å; H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 WeakPolarHBondContact O-CG 3.5Å; H29-Q33 PolarHBondContact O-N 2.96Å; H29-L67 VanDerWaalsContact CD2-CD1 3.5Å; H29-L67 WeakPolarHBondContact CD2-CD1 3.47Å; H29-L67 WeakPolarHBondContact CE1-CD1 3.39Å; H29-L67 WeakPolarHBondContact NE2-CD1 3.48Å |
| 30 | S | 78.1 | Confident | 69.4 | Low | 76 Ų | 76 | 80.7 Ų | 80.7 | 53% | 0.531 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 178 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | K26 E27 Q33 N34 | K26-S30 PolarHBondContact O-N 3.41Å; K26-S30 PolarHBondContact O-OG 2.98Å; E27-S30 PolarHBondContact O-N 3.06Å; S30-Q33 PolarHBondContact O-N 3.13Å; S30-N34 WeakPolarHBondContact O-CB 3.16Å; S30-N34 PolarHBondContact O-N 3.3Å |
| 31 | L | 73.5 | Confident | 69.4 | Low | 30 Ų | 30 | 84.9 Ų | 84.9 | 16% | 0.157 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 176.5 | -81 | 165.8 | 0 | 0 | 0 | 110.8 | V15 A19 E27 L28 Q33 N34 M35 | V15-L31 HydrophobicContact CG1-CD1 4.2Å; V15-L31 HydrophobicContact CG1-CD2 4Å; A19-L31 HydrophobicContact CB-CD1 3.56Å; E27-L31 HydrophobicContact CG-CD1 3.98Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 WeakPolarHBondContact O-CB 3.3Å; E27-L31 WeakPolarHBondContact O-CG 3.28Å; E27-L31 PolarHBondContact O-N 3.41Å; L28-L31 PolarHBondContact O-N 3.47Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.39Å; L31-N34 PolarHBondContact O-N 3.12Å; L31-N34 VanDerWaalsContact O-N 3.16Å; L31-M35 HydrophobicContact CB-CE 4.48Å; L31-M35 HydrophobicContact CD2-CE 4.11Å; L31-M35 VanDerWaalsContact O-CB 3.31Å; L31-M35 WeakPolarHBondContact O-CB 3.36Å; L31-M35 PolarHBondContact O-N 3.07Å |
| 32 | L | 71.9 | Confident | 69.7 | Low | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 178.8 | -73.3 | 174.1 | 0 | 0 | 0 | 112.5 | F16 L28 N34 T36 F40 L67 F71 | F16-L32 HydrophobicContact CD2-CD2 4.13Å; F16-L32 HydrophobicContact CD2-CG 4.44Å; F16-L32 HydrophobicContact CE2-CD1 4.17Å; F16-L32 HydrophobicContact CE2-CD2 3.46Å; F16-L32 VanDerWaalsContact CE2-CD2 3.46Å; F16-L32 HydrophobicContact CE2-CG 3.8Å; F16-L32 HydrophobicContact CZ-CD2 4.16Å; L28-L32 VanDerWaalsContact O-CB 3.31Å; L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.32Å; L28-L32 PolarHBondContact O-N 2.96Å; L32-N34 VanDerWaalsContact C-N 3.35Å; L32-T36 WeakPolarHBondContact O-CG2 3.36Å; L32-F40 HydrophobicContact CD2-CD1 4.13Å; L32-F40 HydrophobicContact CD2-CE1 3.52Å; L32-F40 HydrophobicContact CD2-CZ 4.21Å; L32-L67 HydrophobicContact CD1-CD2 3.39Å; L32-L67 HydrophobicContact CD1-CG 3.76Å; L32-F71 HydrophobicContact CB-CD1 4.38Å; L32-F71 HydrophobicContact CB-CD2 4.37Å; L32-F71 HydrophobicContact CB-CE1 3.92Å; L32-F71 HydrophobicContact CB-CE2 3.91Å; L32-F71 HydrophobicContact CB-CZ 3.66Å; L32-F71 HydrophobicContact CD1-CD2 3.55Å; L32-F71 HydrophobicContact CD1-CE2 3.68Å; L32-F71 HydrophobicContact CD1-CG 4.07Å; L32-F71 HydrophobicContact CD1-CZ 4.3Å; L32-F71 HydrophobicContact CD2-CD1 4.42Å; L32-F71 HydrophobicContact CD2-CG 4.35Å; L32-F71 HydrophobicContact CG-CD2 4.41Å; L32-F71 HydrophobicContact CG-CE2 4.37Å |
| 33 | Q | 72.4 | Confident | 70 | Confident | 138 Ų | 138 | 76.7 Ų | 76.7 | 65% | 0.645 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.1 | -30.4 | 174.1 | -80.2 | -171.1 | -21.1 | 0 | 0 | 113.5 | H29 S30 L31 T36 | H29-Q33 WeakPolarHBondContact O-CB 3.35Å; H29-Q33 WeakPolarHBondContact O-CG 3.5Å; H29-Q33 PolarHBondContact O-N 2.96Å; S30-Q33 PolarHBondContact O-N 3.13Å; L31-Q33 VanDerWaalsContact C-N 3.33Å; L31-Q33 PolarHBondContact O-N 3.39Å; Q33-T36 PolarHBondContact O-OG1 3.38Å |
| 34 | N | 66 | Low | 70.7 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 68% | 0.684 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -84.2 | -31.8 | 178.5 | -164.6 | 37.2 | 0 | 0 | 0 | 112.1 | S30 L31 L32 T36 | S30-N34 WeakPolarHBondContact O-CB 3.16Å; S30-N34 PolarHBondContact O-N 3.3Å; L31-N34 PolarHBondContact O-N 3.12Å; L31-N34 VanDerWaalsContact O-N 3.16Å; L32-N34 VanDerWaalsContact C-N 3.35Å; N34-T36 VanDerWaalsContact C-N 3.31Å; N34-T36 PolarHBondContact O-N 3.27Å |
| 35 | M | 63.2 | Low | 71.1 | Confident | 23 Ų | 23 | 77.8 Ų | 77.8 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -78.9 | -8.2 | -176.5 | -132.1 | 89.1 | 77.2 | 0 | 0 | 114.2 | P12 F16 L31 N37 C38 F40 | P12-M35 HydrophobicContact CB-CE 3.9Å; P12-M35 HydrophobicContact CB-CG 4.45Å; P12-M35 HydrophobicContact CB-SD 3.45Å; P12-M35 WeakPolarHBondContact CB-SD 3.5Å; P12-M35 WeakPolarHBondContact O-CE 3.46Å; F16-M35 HydrophobicContact CB-CE 4.4Å; L31-M35 HydrophobicContact CB-CE 4.48Å; L31-M35 HydrophobicContact CD2-CE 4.11Å; L31-M35 VanDerWaalsContact O-CB 3.31Å; L31-M35 WeakPolarHBondContact O-CB 3.36Å; L31-M35 PolarHBondContact O-N 3.07Å; M35-N37 PolarHBondContact O-N 2.92Å; M35-C38 PolarHBondContact O-N 3.33Å; M35-C38 VanDerWaalsContact O-N 3.11Å; M35-C38 VanDerWaalsContact O-O 3.12Å; M35-F40 HydrophobicContact CB-CB 4.14Å; M35-F40 HydrophobicContact CB-CD2 4.31Å; M35-F40 HydrophobicContact CB-CG 4.11Å; M35-F40 HydrophobicContact CE-CD2 4.23Å; M35-F40 HydrophobicContact CE-CE2 4.15Å; M35-F40 HydrophobicContact CG-CB 3.84Å; M35-F40 HydrophobicContact CG-CD2 3.64Å; M35-F40 HydrophobicContact CG-CE2 4.43Å; M35-F40 HydrophobicContact CG-CG 3.84Å |
| 36 | T | 57.3 | Low | 71.4 | Confident | 104 Ų | 104 | 75.8 Ų | 75.8 | 64% | 0.638 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -8 | 175.1 | 44.6 | 0 | 0 | 0 | 0 | 113.9 | L32 Q33 N34 F71 | L32-T36 WeakPolarHBondContact O-CG2 3.36Å; Q33-T36 PolarHBondContact O-OG1 3.38Å; N34-T36 VanDerWaalsContact C-N 3.31Å; N34-T36 PolarHBondContact O-N 3.27Å; T36-F71 HydrophobicContact CG2-CE1 4.43Å |
| 37 | N | 57.7 | Low | 71.5 | Confident | 153 Ų | 153 | 73.1 Ų | 73.1 | 82% | 0.818 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4 | 177.6 | -148.8 | 59.9 | 0 | 0 | 0 | 114 | M35 | M35-N37 PolarHBondContact O-N 2.92Š|
| 38 | C | 54.6 | Low | 71.7 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 63% | 0.628 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -128.4 | 158.4 | 175.6 | -64 | 0 | 0 | 0 | 0 | 109.7 | M35 F40 | M35-C38 PolarHBondContact O-N 3.33Å; M35-C38 VanDerWaalsContact O-N 3.11Å; M35-C38 VanDerWaalsContact O-O 3.12Å; C38-F40 PolarHBondContact O-N 3.01Å |
| 39 | E | 59.1 | Low | 72 | Confident | 211 Ų | 211 | 75.7 Ų | 75.7 | 99% | 0.986 | 41% | 0.405 | S | S | * | . | trans | -62.8 | 79.3 | 170 | -86.2 | 178.3 | 84.9 | 0 | 0 | 110.8 | ||||
| 40 | F | 69.9 | Low | 72.4 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 17% | 0.171 | 39% | 0.393 | C | S | . | . | trans | -89.4 | 113.7 | 178.2 | 177.8 | -101.5 | 0 | 0 | 0 | 110.2 | F16 L32 M35 C38 V42 | F16-F40 HydrophobicContact CB-CE2 3.91Å; F16-F40 HydrophobicContact CB-CZ 3.99Å; F16-F40 HydrophobicContact CD1-CE2 4.13Å; F16-F40 AromaticContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD1-CZ 3.52Å; F16-F40 HydrophobicContact CD2-CE1 4.31Å; F16-F40 HydrophobicContact CD2-CE2 4.27Å; F16-F40 AromaticContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CD2-CZ 3.55Å; F16-F40 HydrophobicContact CE1-CE1 4.35Å; F16-F40 AromaticContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE1-CZ 3.65Å; F16-F40 HydrophobicContact CE2-CE1 4.12Å; F16-F40 AromaticContact CE2-CZ 3.73Å; F16-F40 HydrophobicContact CE2-CZ 3.73Å; F16-F40 AromaticContact CG-CE2 3.87Å; F16-F40 HydrophobicContact CG-CE2 3.87Å; F16-F40 AromaticContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CG-CZ 3.42Å; F16-F40 VanDerWaalsContact CG-CZ 3.42Å; F16-F40 HydrophobicContact CZ-CE1 4.1Å; F16-F40 AromaticContact CZ-CZ 3.74Å; F16-F40 HydrophobicContact CZ-CZ 3.74Å; L32-F40 HydrophobicContact CD2-CD1 4.13Å; L32-F40 HydrophobicContact CD2-CE1 3.52Å; L32-F40 HydrophobicContact CD2-CZ 4.21Å; M35-F40 HydrophobicContact CB-CB 4.14Å; M35-F40 HydrophobicContact CB-CD2 4.31Å; M35-F40 HydrophobicContact CB-CG 4.11Å; M35-F40 HydrophobicContact CE-CD2 4.23Å; M35-F40 HydrophobicContact CE-CE2 4.15Å; M35-F40 HydrophobicContact CG-CB 3.84Å; M35-F40 HydrophobicContact CG-CD2 3.64Å; M35-F40 HydrophobicContact CG-CE2 4.43Å; M35-F40 HydrophobicContact CG-CG 3.84Å; C38-F40 PolarHBondContact O-N 3.01Å; F40-V42 HydrophobicContact CD1-CG1 3.92Å; F40-V42 HydrophobicContact CE1-CB 4.11Å; F40-V42 HydrophobicContact CE1-CG1 3.73Å | ||
| 41 | N | 77.3 | Confident | 72.9 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 47% | 0.471 | 37% | 0.368 | S | S | . | . | trans | -93.6 | 103.4 | 178.1 | -177.5 | 7.8 | 0 | 0 | 0 | 112 | Q13 N43 S44 | Q13-N41 PolarHBondContact NE2-O 3Å; N41-N43 PolarHBondContact O-N 3.45Å; N41-N43 WeakPolarHBondContact OD1-CB 3.38Å; N41-N43 PolarHBondContact OD1-N 3.36Å; N41-S44 PolarHBondContact O-N 2.99Å; N41-S44 PolarHBondContact O-OG 3.06Å | ||
| 42 | V | 79.7 | Confident | 73.5 | Confident | 11 Ų | 11 | 68.2 Ų | 68.2 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -17.5 | -178.6 | -28.9 | 0 | 0 | 0 | 0 | 113.5 | F40 S44 F71 A73 | F40-V42 HydrophobicContact CD1-CG1 3.92Å; F40-V42 HydrophobicContact CE1-CB 4.11Å; F40-V42 HydrophobicContact CE1-CG1 3.73Å; V42-S44 VanDerWaalsContact C-N 3.34Å; V42-F71 HydrophobicContact CG1-CB 4.2Å; V42-F71 WeakPolarHBondContact CG1-O 3.32Å; V42-A73 HydrophobicContact CG2-CB 3.61Å; V42-A73 VanDerWaalsContact CG2-N 3.33Å |
| 43 | N | 83.3 | Confident | 74.3 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 12 | -176.9 | -61.4 | -47.9 | 0 | 0 | 0 | 113.2 | N41 G72 A73 D74 L77 | N41-N43 PolarHBondContact O-N 3.45Å; N41-N43 WeakPolarHBondContact OD1-CB 3.38Å; N41-N43 PolarHBondContact OD1-N 3.36Å; N43-G72 PolarHBondContact ND2-O 3.16Å; N43-A73 WeakPolarHBondContact OD1-CA 3.43Å; N43-D74 PolarHBondContact OD1-N 2.98Å; N43-L77 HydrophobicContact CB-CD2 4.31Å |
| 44 | S | 82.4 | Confident | 75.1 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | trans | -64 | 135.1 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | Q13 N41 V42 | Q13-S44 WeakPolarHBondContact CG-OG 3.49Å; Q13-S44 VanDerWaalsContact NE2-CB 3.26Å; Q13-S44 PolarHBondContact NE2-OG 3.42Å; N41-S44 PolarHBondContact O-N 2.99Å; N41-S44 PolarHBondContact O-OG 3.06Å; V42-S44 VanDerWaalsContact C-N 3.34Å | ||
| 45 | F | 81.6 | Confident | 76.2 | Confident | 98 Ų | 98 | 57 Ų | 57 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | trans | -77.5 | 132 | 171.2 | -63.9 | -79.7 | 0 | 0 | 0 | 110.5 | G49 T51 L77 A78 | F45-G49 WeakPolarHBondContact CD1-O 3.26Å; F45-T51 HydrophobicContact CD1-CG2 3.83Å; F45-T51 HydrophobicContact CE1-CG2 3.92Å; F45-T51 HydrophobicContact CG-CG2 4.39Å; F45-L77 HydrophobicContact CE1-CD2 3.84Å; F45-L77 HydrophobicContact CE1-CG 4.37Å; F45-L77 HydrophobicContact CE2-CD2 4.09Å; F45-L77 HydrophobicContact CZ-CD1 4.22Å; F45-L77 HydrophobicContact CZ-CD2 3.47Å; F45-L77 VanDerWaalsContact CZ-CD2 3.47Å; F45-L77 HydrophobicContact CZ-CG 3.83Å; F45-A78 WeakPolarHBondContact CE1-O 3.43Å | ||
| 46 | G | 77.9 | Confident | 77.4 | Confident | 8 Ų | 8 | 56 Ų | 56 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | trans | -77.8 | -178.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q17 E48 G49 Q50 | Q17-G46 VanDerWaalsContact CD-CA 3.48Å; G46-E48 PolarHBondContact O-N 3.42Å; G46-G49 PolarHBondContact O-N 3.4Å; G46-Q50 PolarHBondContact N-O 3.21Å | ||
| 47 | P | 74.9 | Confident | 79 | Confident | 106 Ų | 106 | 51 Ų | 51 | 69% | 0.688 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -33.9 | 179.4 | 22.9 | -33 | 0 | 0 | 0 | 112.7 | G49 | P47-G49 PolarHBondContact O-N 3.12Š|
| 48 | E | 75.1 | Confident | 80.5 | Confident | 134 Ų | 134 | 47 Ų | 47 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 3.2 | 176.9 | -57.4 | -57.4 | 145.4 | 0 | 0 | 113.6 | G46 Q50 | G46-E48 PolarHBondContact O-N 3.42Å; E48-Q50 PolarHBondContact O-N 3.27Å |
| 49 | G | 82.1 | Confident | 82 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 71.2 | 17.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F45 G46 P47 N79 R80 | F45-G49 WeakPolarHBondContact CD1-O 3.26Å; G46-G49 PolarHBondContact O-N 3.4Å; P47-G49 PolarHBondContact O-N 3.12Å; G49-N79 WeakPolarHBondContact O-CB 3.36Å; G49-R80 VanDerWaalsContact CA-CD 3.47Å; G49-R80 PolarHBondContact O-N 3.3Å |
| 50 | Q | 83.6 | Confident | 83.4 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | trans | -110.9 | 147.6 | 177.9 | -65.4 | -177.5 | -10.5 | 0 | 0 | 109.9 | Q17 G46 E48 H54 N79 | Q17-Q50 PolarHBondContact NE2-O 3.38Å; Q17-Q50 VanDerWaalsContact NE2-O 3.13Å; G46-Q50 PolarHBondContact N-O 3.21Å; E48-Q50 PolarHBondContact O-N 3.27Å; Q50-H54 HydrophobicContact CB-CB 4.04Å; Q50-H54 HydrophobicContact CG-CB 4.47Å; Q50-N79 HydrophobicContact CG-CB 4.46Å | ||
| 51 | T | 87.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | trans | -89.2 | 167.3 | 169.8 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | F45 L53 H54 Q55 L77 | F45-T51 HydrophobicContact CD1-CG2 3.83Å; F45-T51 HydrophobicContact CE1-CG2 3.92Å; F45-T51 HydrophobicContact CG-CG2 4.39Å; T51-L53 PolarHBondContact O-N 3.21Å; T51-L53 PolarHBondContact OG1-N 3.38Å; T51-H54 PolarHBondContact N-ND1 3.3Å; T51-H54 WeakPolarHBondContact O-CB 3.3Å; T51-H54 PolarHBondContact O-N 3Å; T51-H54 PolarHBondContact OG1-CE1 3.21Å; T51-H54 PolarHBondContact OG1-ND1 3.1Å; T51-Q55 PolarHBondContact O-N 2.91Å; T51-Q55 VanDerWaalsContact O-N 3.11Å; T51-L77 HydrophobicContact CG2-CD2 3.41Å; T51-L77 VanDerWaalsContact CG2-CD2 3.41Å | ||
| 52 | A | 86.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.4 | -35.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F16 V20 Q55 S56 L68 | F16-A52 HydrophobicContact CD1-CB 4.31Å; F16-A52 HydrophobicContact CE1-CB 3.36Å; F16-A52 HydrophobicContact CZ-CB 3.92Å; V20-A52 HydrophobicContact CG1-CB 4.42Å; V20-A52 HydrophobicContact CG2-CB 3.68Å; A52-Q55 PolarHBondContact O-N 3.2Å; A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3Å; A52-S56 PolarHBondContact O-OG 3.31Å; A52-L68 VanDerWaalsContact C-CD1 3.48Å; A52-L68 HydrophobicContact CB-CD1 3.97Å; A52-L68 HydrophobicContact CB-CD2 3.99Å; A52-L68 WeakPolarHBondContact O-CD1 3.46Å |
| 53 | L | 89.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 176.4 | -172.5 | 69.3 | 0 | 0 | 0 | 110.9 | T51 Q55 S56 V57 V65 L68 V69 A73 I75 A85 | T51-L53 PolarHBondContact O-N 3.21Å; T51-L53 PolarHBondContact OG1-N 3.38Å; L53-Q55 PolarHBondContact O-N 3.3Å; L53-S56 PolarHBondContact O-N 3.37Å; L53-S56 PolarHBondContact O-OG 3.4Å; L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.05Å; L53-V57 VanDerWaalsContact O-N 3.09Å; L53-V65 HydrophobicContact CD1-CG1 4.05Å; L53-L68 HydrophobicContact CB-CD1 4.44Å; L53-L68 HydrophobicContact CD1-CB 4.19Å; L53-L68 HydrophobicContact CD1-CD1 4.39Å; L53-V69 HydrophobicContact CD1-CG2 4.04Å; L53-A73 HydrophobicContact CB-CB 4.44Å; L53-A73 HydrophobicContact CD1-CB 4.47Å; L53-A73 HydrophobicContact CD2-CB 4.41Å; L53-I75 HydrophobicContact CD2-CB 4.3Å; L53-I75 HydrophobicContact CD2-CG2 3.97Å; L53-A85 HydrophobicContact CD2-CB 3.78Å; L53-A85 HydrophobicContact CG-CB 4.07Å |
| 54 | H | 89.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 177 | -64 | 97.5 | 0 | 0 | 0 | 111.2 | Q50 T51 S56 V57 I58 L77 N79 W83 I88 | Q50-H54 HydrophobicContact CB-CB 4.04Å; Q50-H54 HydrophobicContact CG-CB 4.47Å; T51-H54 PolarHBondContact N-ND1 3.3Å; T51-H54 WeakPolarHBondContact O-CB 3.3Å; T51-H54 PolarHBondContact O-N 3Å; T51-H54 PolarHBondContact OG1-CE1 3.21Å; T51-H54 PolarHBondContact OG1-ND1 3.1Å; H54-S56 PolarHBondContact O-N 3.45Å; H54-V57 PolarHBondContact O-N 3.06Å; H54-V57 VanDerWaalsContact O-N 3.16Å; H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.49Å; H54-I58 PolarHBondContact O-N 3.41Å; H54-L77 PolarHBondContact CE1-O 3.21Å; H54-L77 PolarHBondContact NE2-O 3.44Å; H54-N79 PolarHBondContact NE2-N 3.42Å; H54-W83 PolarHBondContact NE2-O 3.42Å; H54-W83 VanDerWaalsContact NE2-O 3.14Å; H54-I88 HydrophobicContact CB-CD1 3.87Å |
| 55 | Q | 87.8 | Confident | 85.7 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 177.9 | -172.3 | 67.4 | 57.2 | 0 | 0 | 111.9 | V20 K21 T51 A52 L53 V57 I58 D59 | V20-Q55 HydrophobicContact CG1-CB 3.85Å; V20-Q55 HydrophobicContact CG1-CG 3.88Å; K21-Q55 HydrophobicContact CG-CG 4.21Å; T51-Q55 PolarHBondContact O-N 2.91Å; T51-Q55 VanDerWaalsContact O-N 3.11Å; A52-Q55 PolarHBondContact O-N 3.2Å; L53-Q55 PolarHBondContact O-N 3.3Å; Q55-V57 PolarHBondContact O-N 3Å; Q55-I58 WeakPolarHBondContact O-CB 3.24Å; Q55-I58 PolarHBondContact O-N 2.82Å; Q55-I58 VanDerWaalsContact O-N 3.09Å; Q55-D59 PolarHBondContact NE2-OD1 2.98Å; Q55-D59 VanDerWaalsContact O-CG 3.24Å; Q55-D59 PolarHBondContact O-N 3.16Å |
| 56 | S | 88.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -30 | 178.9 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | A52 L53 H54 G60 N61 V65 | A52-S56 WeakPolarHBondContact O-CB 3.46Å; A52-S56 PolarHBondContact O-N 3Å; A52-S56 PolarHBondContact O-OG 3.31Å; L53-S56 PolarHBondContact O-N 3.37Å; L53-S56 PolarHBondContact O-OG 3.4Å; H54-S56 PolarHBondContact O-N 3.45Å; S56-G60 PolarHBondContact O-N 3.01Å; S56-N61 PolarHBondContact O-N 3.27Å; S56-V65 VanDerWaalsContact OG-CG2 3.3Å; S56-V65 WeakPolarHBondContact OG-CG2 3.44Å |
| 57 | V | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -78.1 | -40.2 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | L53 H54 Q55 D59 G60 V65 A85 I88 A89 H94 I97 L101 | L53-V57 VanDerWaalsContact O-CG2 3.26Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.05Å; L53-V57 VanDerWaalsContact O-N 3.09Å; H54-V57 PolarHBondContact O-N 3.06Å; H54-V57 VanDerWaalsContact O-N 3.16Å; Q55-V57 PolarHBondContact O-N 3Å; V57-D59 PolarHBondContact O-N 2.72Å; V57-G60 PolarHBondContact O-N 3.42Å; V57-G60 VanDerWaalsContact O-N 3.07Å; V57-V65 HydrophobicContact CG2-CG2 3.76Å; V57-A85 WeakPolarHBondContact CG1-O 3.4Å; V57-A85 HydrophobicContact CG2-CB 4.18Å; V57-I88 HydrophobicContact CB-CG2 4.37Å; V57-I88 HydrophobicContact CG1-CB 3.92Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; V57-A89 VanDerWaalsContact CG1-CA 3.46Å; V57-A89 HydrophobicContact CG1-CB 3.51Å; V57-A89 VanDerWaalsContact CG1-N 3.31Å; V57-H94 PolarHBondContact O-CD2 3.42Å; V57-H94 PolarHBondContact O-NE2 3.33Å; V57-I97 HydrophobicContact CG1-CG2 4.19Å; V57-I97 HydrophobicContact CG2-CG2 3.93Å; V57-L101 HydrophobicContact CG2-CD1 4.47Å |
| 58 | I | 88.8 | Confident | 87 | Confident | 70 Ų | 70 | 31.1 Ų | 31.1 | 36% | 0.359 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.1 | -42 | 173.5 | -67 | 168.3 | 0 | 0 | 0 | 110.1 | H54 Q55 G60 I88 | H54-I58 VanDerWaalsContact O-CG1 3.31Å; H54-I58 WeakPolarHBondContact O-CG1 3.49Å; H54-I58 PolarHBondContact O-N 3.41Å; Q55-I58 WeakPolarHBondContact O-CB 3.24Å; Q55-I58 PolarHBondContact O-N 2.82Å; Q55-I58 VanDerWaalsContact O-N 3.09Å; I58-G60 PolarHBondContact O-N 3.42Å; I58-I88 HydrophobicContact CB-CG2 4.45Å; I58-I88 HydrophobicContact CD1-CD1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 4.23Å; I58-I88 HydrophobicContact CG1-CG2 3.52Å |
| 59 | D | 86.6 | Confident | 87.6 | Confident | 73 Ų | 73 | 25.8 Ų | 25.8 | 39% | 0.39 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -7.7 | 180 | -60.7 | -15.1 | 0 | 0 | 0 | 112.7 | Q55 V57 N61 | Q55-D59 PolarHBondContact NE2-OD1 2.98Å; Q55-D59 VanDerWaalsContact O-CG 3.24Å; Q55-D59 PolarHBondContact O-N 3.16Å; V57-D59 PolarHBondContact O-N 2.72Å; D59-N61 HydrophobicContact CB-CB 4.49Å; D59-N61 PolarHBondContact O-N 3.11Å |
| 60 | G | 88.8 | Confident | 87.7 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 29% | 0.289 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 19.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S56 V57 I58 L62 | S56-G60 PolarHBondContact O-N 3.01Å; V57-G60 PolarHBondContact O-N 3.42Å; V57-G60 VanDerWaalsContact O-N 3.07Å; I58-G60 PolarHBondContact O-N 3.42Å; G60-L62 PolarHBondContact O-N 2.99Å |
| 61 | N | 88.1 | Confident | 87.5 | Confident | 43 Ų | 43 | 35.7 Ų | 35.7 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | trans | -91.1 | 90.7 | -173.8 | -166.9 | -24.9 | 0 | 0 | 0 | 111.9 | S56 D59 E63 L64 V65 | S56-N61 PolarHBondContact O-N 3.27Å; D59-N61 HydrophobicContact CB-CB 4.49Å; D59-N61 PolarHBondContact O-N 3.11Å; N61-E63 VanDerWaalsContact C-N 3.28Å; N61-E63 PolarHBondContact O-N 3.37Å; N61-E63 PolarHBondContact OD1-N 3.3Å; N61-L64 HydrophobicContact CB-CB 4.16Å; N61-L64 HydrophobicContact CB-CD1 4.1Å; N61-L64 HydrophobicContact CB-CG 4.23Å; N61-L64 WeakPolarHBondContact ND2-CD1 3.5Å; N61-L64 PolarHBondContact O-N 3.39Å; N61-L64 PolarHBondContact OD1-N 3.19Å; N61-V65 WeakPolarHBondContact O-CG2 3.28Å; N61-V65 PolarHBondContact O-N 3.18Å; N61-V65 VanDerWaalsContact O-N 3.1Å | ||
| 62 | L | 89.3 | Confident | 87.3 | Confident | 39 Ų | 39 | 38 Ų | 38 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.3 | -37 | -179.4 | 178.7 | 64.5 | 0 | 0 | 0 | 113.6 | G60 L64 V65 K66 D96 I97 Y100 | G60-L62 PolarHBondContact O-N 2.99Å; L62-L64 VanDerWaalsContact C-N 3.35Å; L62-V65 PolarHBondContact O-N 2.98Å; L62-K66 HydrophobicContact CD1-CG 4.42Å; L62-K66 HydrophobicContact CG-CD 4.27Å; L62-K66 WeakPolarHBondContact O-CG 3.31Å; L62-K66 PolarHBondContact O-N 3.15Å; L62-D96 HydrophobicContact CD2-CB 4.03Å; L62-I97 HydrophobicContact CB-CG1 4.15Å; L62-I97 HydrophobicContact CD1-CG1 3.99Å; L62-Y100 HydrophobicContact CD1-CG 4.32Å |
| 63 | E | 88.9 | Confident | 87.3 | Confident | 113 Ų | 113 | 38.4 Ų | 38.4 | 53% | 0.528 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.9 | -37.5 | -178.7 | -65.6 | -54.9 | 121.1 | 0 | 0 | 111.4 | N61 K66 L67 | N61-E63 VanDerWaalsContact C-N 3.28Å; N61-E63 PolarHBondContact O-N 3.37Å; N61-E63 PolarHBondContact OD1-N 3.3Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 IonicContact OE1-NZ 2.75Å; E63-K66 PolarHBondContact OE1-NZ 3.31Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 PolarHBondContact O-N 3.2Å |
| 64 | L | 85.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 171.5 | -73.5 | -176.2 | 0 | 0 | 0 | 112.3 | T25 L28 N61 L62 K66 L67 L68 | T25-L64 HydrophobicContact CG2-CD1 4.29Å; T25-L64 HydrophobicContact CG2-CD2 3.61Å; T25-L64 HydrophobicContact CG2-CG 3.71Å; L28-L64 HydrophobicContact CB-CD2 4.4Å; L28-L64 HydrophobicContact CD1-CD1 4.2Å; L28-L64 HydrophobicContact CD1-CD2 3.37Å; L28-L64 HydrophobicContact CD1-CG 4.41Å; N61-L64 HydrophobicContact CB-CB 4.16Å; N61-L64 HydrophobicContact CB-CD1 4.1Å; N61-L64 HydrophobicContact CB-CG 4.23Å; N61-L64 WeakPolarHBondContact ND2-CD1 3.5Å; N61-L64 PolarHBondContact O-N 3.39Å; N61-L64 PolarHBondContact OD1-N 3.19Å; L62-L64 VanDerWaalsContact C-N 3.35Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 2.96Å; L64-L67 HydrophobicContact CD2-CD2 4.31Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 2.97Å; L64-L68 WeakPolarHBondContact O-CB 3.13Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 2.88Å |
| 65 | V | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | L53 S56 V57 N61 L62 L67 L68 V69 I97 Y100 L101 | L53-V65 HydrophobicContact CD1-CG1 4.05Å; S56-V65 VanDerWaalsContact OG-CG2 3.3Å; S56-V65 WeakPolarHBondContact OG-CG2 3.44Å; V57-V65 HydrophobicContact CG2-CG2 3.76Å; N61-V65 WeakPolarHBondContact O-CG2 3.28Å; N61-V65 PolarHBondContact O-N 3.18Å; N61-V65 VanDerWaalsContact O-N 3.1Å; L62-V65 PolarHBondContact O-N 2.98Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.47Å; V65-L68 PolarHBondContact O-N 3.12Å; V65-V69 HydrophobicContact CG1-CG2 4.49Å; V65-V69 WeakPolarHBondContact O-CB 3.46Å; V65-V69 VanDerWaalsContact O-CG2 3.28Å; V65-V69 WeakPolarHBondContact O-CG2 3.41Å; V65-V69 PolarHBondContact O-N 2.82Å; V65-I97 HydrophobicContact CG1-CG2 4.34Å; V65-I97 HydrophobicContact CG2-CD1 4.2Å; V65-I97 HydrophobicContact CG2-CG2 4.12Å; V65-Y100 HydrophobicContact CG1-CD1 3.92Å; V65-Y100 HydrophobicContact CG1-CE1 4.2Å; V65-L101 HydrophobicContact CG1-CD2 4.11Å |
| 66 | K | 88.6 | Confident | 86.9 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 30% | 0.296 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 177.6 | -73 | 170.3 | -177.6 | 164.6 | 0 | 112.1 | L62 E63 L64 K70 Y100 | L62-K66 HydrophobicContact CD1-CG 4.42Å; L62-K66 HydrophobicContact CG-CD 4.27Å; L62-K66 WeakPolarHBondContact O-CG 3.31Å; L62-K66 PolarHBondContact O-N 3.15Å; E63-K66 PolarHBondContact O-N 2.94Å; E63-K66 IonicContact OE1-NZ 2.75Å; E63-K66 PolarHBondContact OE1-NZ 3.31Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 2.96Å; K66-K70 VanDerWaalsContact O-CB 3.32Å; K66-K70 WeakPolarHBondContact O-CB 3.41Å; K66-K70 PolarHBondContact O-N 2.93Å; K66-Y100 HydrophobicContact CG-CD1 4.47Å; K66-Y100 HydrophobicContact CG-CD2 4.13Å; K66-Y100 HydrophobicContact CG-CE1 4.06Å; K66-Y100 HydrophobicContact CG-CE2 3.69Å; K66-Y100 HydrophobicContact CG-CG 4.5Å |
| 67 | L | 86.1 | Confident | 86.8 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -55.4 | 177.3 | -171.7 | 87.5 | 0 | 0 | 0 | 110.4 | L28 H29 L32 E63 L64 V65 V69 K70 F71 | L28-L67 HydrophobicContact CB-CD2 4.13Å; H29-L67 VanDerWaalsContact CD2-CD1 3.5Å; H29-L67 WeakPolarHBondContact CD2-CD1 3.47Å; H29-L67 WeakPolarHBondContact CE1-CD1 3.39Å; H29-L67 WeakPolarHBondContact NE2-CD1 3.48Å; L32-L67 HydrophobicContact CD1-CD2 3.39Å; L32-L67 HydrophobicContact CD1-CG 3.76Å; E63-L67 WeakPolarHBondContact O-CB 3.41Å; E63-L67 PolarHBondContact O-N 3.2Å; L64-L67 HydrophobicContact CD2-CD2 4.31Å; L64-L67 WeakPolarHBondContact O-CB 3.33Å; L64-L67 PolarHBondContact O-N 2.97Å; V65-L67 VanDerWaalsContact C-N 3.34Å; V65-L67 PolarHBondContact O-N 3.47Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.39Å; L67-K70 WeakPolarHBondContact O-CA 3.45Å; L67-K70 WeakPolarHBondContact O-CB 3.4Å; L67-K70 PolarHBondContact O-N 3.42Å; L67-F71 HydrophobicContact CD1-CE2 4.11Å; L67-F71 HydrophobicContact CG-CD2 4.22Å; L67-F71 HydrophobicContact CG-CE2 4.23Å; L67-F71 VanDerWaalsContact O-CD2 3.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 2.83Å; L67-F71 VanDerWaalsContact O-N 3.07Å |
| 68 | L | 85.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | -177.3 | -66.9 | 172.3 | 0 | 0 | 0 | 111.7 | F16 A52 L53 L64 V65 K70 F71 G72 A73 | F16-L68 HydrophobicContact CE1-CD2 4.33Å; F16-L68 HydrophobicContact CE2-CD2 4.24Å; F16-L68 HydrophobicContact CZ-CD2 3.45Å; F16-L68 VanDerWaalsContact CZ-CD2 3.45Å; A52-L68 VanDerWaalsContact C-CD1 3.48Å; A52-L68 HydrophobicContact CB-CD1 3.97Å; A52-L68 HydrophobicContact CB-CD2 3.99Å; A52-L68 WeakPolarHBondContact O-CD1 3.46Å; L53-L68 HydrophobicContact CB-CD1 4.44Å; L53-L68 HydrophobicContact CD1-CB 4.19Å; L53-L68 HydrophobicContact CD1-CD1 4.39Å; L64-L68 WeakPolarHBondContact O-CB 3.13Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.23Å; L64-L68 PolarHBondContact O-N 2.88Å; V65-L68 PolarHBondContact O-N 3.12Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 3.18Å; L68-F71 CarbonylContact O-C 3.51Å; L68-F71 PolarHBondContact O-N 3.14Å; L68-F71 VanDerWaalsContact O-N 3.12Å; L68-G72 PolarHBondContact O-N 3.07Å; L68-A73 VanDerWaalsContact C-CB 3.41Å; L68-A73 HydrophobicContact CB-CB 3.91Å; L68-A73 WeakPolarHBondContact O-CB 3.49Å; L68-A73 PolarHBondContact O-N 3.09Å |
| 69 | V | 87.4 | Confident | 86.5 | Confident | 22 Ų | 22 | 52.4 Ų | 52.4 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | L53 V65 L67 F71 G72 I75 Y100 K104 | L53-V69 HydrophobicContact CD1-CG2 4.04Å; V65-V69 HydrophobicContact CG1-CG2 4.49Å; V65-V69 WeakPolarHBondContact O-CB 3.46Å; V65-V69 VanDerWaalsContact O-CG2 3.28Å; V65-V69 WeakPolarHBondContact O-CG2 3.41Å; V65-V69 PolarHBondContact O-N 2.82Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.39Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.29Å; V69-G72 PolarHBondContact O-N 3.09Å; V69-G72 VanDerWaalsContact O-N 3.13Å; V69-I75 HydrophobicContact CG2-CG2 3.57Å; V69-Y100 HydrophobicContact CB-CE1 4.14Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.13Å; V69-K104 HydrophobicContact CG1-CD 4.26Å; V69-K104 HydrophobicContact CG1-CG 4.19Å |
| 70 | K | 84.9 | Confident | 86.5 | Confident | 174 Ų | 174 | 58.1 Ų | 58.1 | 76% | 0.757 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.8 | -32.1 | 174.9 | -175.4 | 178.9 | 179.3 | -179.8 | 0 | 112.4 | K66 L67 L68 G72 | K66-K70 VanDerWaalsContact O-CB 3.32Å; K66-K70 WeakPolarHBondContact O-CB 3.41Å; K66-K70 PolarHBondContact O-N 2.93Å; L67-K70 WeakPolarHBondContact O-CA 3.45Å; L67-K70 WeakPolarHBondContact O-CB 3.4Å; L67-K70 PolarHBondContact O-N 3.42Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 3.18Å; K70-G72 VanDerWaalsContact C-N 3.28Å |
| 71 | F | 79.6 | Confident | 86.3 | Confident | 71 Ų | 71 | 63.7 Ų | 63.7 | 31% | 0.311 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 10.3 | 175.7 | -79.4 | -86 | 0 | 0 | 0 | 113.7 | L32 T36 V42 L67 L68 V69 | L32-F71 HydrophobicContact CB-CD1 4.38Å; L32-F71 HydrophobicContact CB-CD2 4.37Å; L32-F71 HydrophobicContact CB-CE1 3.92Å; L32-F71 HydrophobicContact CB-CE2 3.91Å; L32-F71 HydrophobicContact CB-CZ 3.66Å; L32-F71 HydrophobicContact CD1-CD2 3.55Å; L32-F71 HydrophobicContact CD1-CE2 3.68Å; L32-F71 HydrophobicContact CD1-CG 4.07Å; L32-F71 HydrophobicContact CD1-CZ 4.3Å; L32-F71 HydrophobicContact CD2-CD1 4.42Å; L32-F71 HydrophobicContact CD2-CG 4.35Å; L32-F71 HydrophobicContact CG-CD2 4.41Å; L32-F71 HydrophobicContact CG-CE2 4.37Å; T36-F71 HydrophobicContact CG2-CE1 4.43Å; V42-F71 HydrophobicContact CG1-CB 4.2Å; V42-F71 WeakPolarHBondContact CG1-O 3.32Å; L67-F71 HydrophobicContact CD1-CE2 4.11Å; L67-F71 HydrophobicContact CG-CD2 4.22Å; L67-F71 HydrophobicContact CG-CE2 4.23Å; L67-F71 VanDerWaalsContact O-CD2 3.3Å; L67-F71 WeakPolarHBondContact O-CD2 3.42Å; L67-F71 PolarHBondContact O-N 2.83Å; L67-F71 VanDerWaalsContact O-N 3.07Å; L68-F71 CarbonylContact O-C 3.51Å; L68-F71 PolarHBondContact O-N 3.14Å; L68-F71 VanDerWaalsContact O-N 3.12Å; V69-F71 VanDerWaalsContact C-N 3.26Å; V69-F71 PolarHBondContact O-N 3.29Å |
| 72 | G | 82.7 | Confident | 86.3 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 52% | 0.515 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | 23.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N43 L68 V69 K70 D74 | N43-G72 PolarHBondContact ND2-O 3.16Å; L68-G72 PolarHBondContact O-N 3.07Å; V69-G72 PolarHBondContact O-N 3.09Å; V69-G72 VanDerWaalsContact O-N 3.13Å; K70-G72 VanDerWaalsContact C-N 3.28Å; G72-D74 PolarHBondContact O-N 3.3Å |
| 73 | A | 86.3 | Confident | 86.3 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | trans | -66.1 | 128.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V42 N43 L53 L68 I75 | V42-A73 HydrophobicContact CG2-CB 3.61Å; V42-A73 VanDerWaalsContact CG2-N 3.33Å; N43-A73 WeakPolarHBondContact OD1-CA 3.43Å; L53-A73 HydrophobicContact CB-CB 4.44Å; L53-A73 HydrophobicContact CD1-CB 4.47Å; L53-A73 HydrophobicContact CD2-CB 4.41Å; L68-A73 VanDerWaalsContact C-CB 3.41Å; L68-A73 HydrophobicContact CB-CB 3.91Å; L68-A73 WeakPolarHBondContact O-CB 3.49Å; L68-A73 PolarHBondContact O-N 3.09Å; A73-I75 PolarHBondContact O-N 3.11Å | ||
| 74 | D | 86.7 | Confident | 86.3 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | trans | -79.6 | 107.7 | 177 | -170.6 | -10.2 | 0 | 0 | 0 | 109.7 | N43 G72 R76 L77 | N43-D74 PolarHBondContact OD1-N 2.98Å; G72-D74 PolarHBondContact O-N 3.3Å; D74-R76 PolarHBondContact O-N 3.41Å; D74-R76 WeakPolarHBondContact OD1-CA 3.49Å; D74-R76 VanDerWaalsContact OD1-CB 3.31Å; D74-R76 WeakPolarHBondContact OD1-CB 3.38Å; D74-R76 PolarHBondContact OD1-N 3.49Å; D74-L77 HydrophobicContact CB-CB 4.24Å; D74-L77 WeakPolarHBondContact O-CB 3.47Å; D74-L77 PolarHBondContact O-N 2.78Å | ||
| 75 | I | 87.1 | Confident | 86.5 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.7 | 178 | 64.1 | 174.5 | 0 | 0 | 0 | 113.4 | L53 V69 A73 L101 K104 A105 | L53-I75 HydrophobicContact CD2-CB 4.3Å; L53-I75 HydrophobicContact CD2-CG2 3.97Å; V69-I75 HydrophobicContact CG2-CG2 3.57Å; A73-I75 PolarHBondContact O-N 3.11Å; I75-L101 HydrophobicContact CB-CD2 4.01Å; I75-L101 HydrophobicContact CG2-CD2 3.61Å; I75-K104 HydrophobicContact CD1-CB 4.02Å; I75-A105 HydrophobicContact CD1-CB 3.79Å |
| 76 | R | 84.3 | Confident | 86.6 | Confident | 208 Ų | 208 | 65.5 Ų | 65.5 | 79% | 0.785 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -10.8 | -179.2 | -57.2 | 179.7 | 63.5 | -166.9 | -2.7 | 112.5 | D74 A78 | D74-R76 PolarHBondContact O-N 3.41Å; D74-R76 WeakPolarHBondContact OD1-CA 3.49Å; D74-R76 VanDerWaalsContact OD1-CB 3.31Å; D74-R76 WeakPolarHBondContact OD1-CB 3.38Å; D74-R76 PolarHBondContact OD1-N 3.49Å; R76-A78 PolarHBondContact O-N 3.11Å |
| 77 | L | 86.3 | Confident | 86.7 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 23% | 0.225 | 33% | 0.333 | C | S | . | . | trans | -63.5 | 130.7 | 179.6 | -160.7 | 80.6 | 0 | 0 | 0 | 109.5 | N43 F45 T51 H54 D74 | N43-L77 HydrophobicContact CB-CD2 4.31Å; F45-L77 HydrophobicContact CE1-CD2 3.84Å; F45-L77 HydrophobicContact CE1-CG 4.37Å; F45-L77 HydrophobicContact CE2-CD2 4.09Å; F45-L77 HydrophobicContact CZ-CD1 4.22Å; F45-L77 HydrophobicContact CZ-CD2 3.47Å; F45-L77 VanDerWaalsContact CZ-CD2 3.47Å; F45-L77 HydrophobicContact CZ-CG 3.83Å; T51-L77 HydrophobicContact CG2-CD2 3.41Å; T51-L77 VanDerWaalsContact CG2-CD2 3.41Å; H54-L77 PolarHBondContact CE1-O 3.21Å; H54-L77 PolarHBondContact NE2-O 3.44Å; D74-L77 HydrophobicContact CB-CB 4.24Å; D74-L77 WeakPolarHBondContact O-CB 3.47Å; D74-L77 PolarHBondContact O-N 2.78Å | ||
| 78 | A | 88.1 | Confident | 86.9 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -91.2 | 141.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F45 R76 W83 | F45-A78 WeakPolarHBondContact CE1-O 3.43Å; R76-A78 PolarHBondContact O-N 3.11Å; A78-W83 CarbonylContact C-O 3.59Å; A78-W83 WeakPolarHBondContact CA-O 3.37Å |
| 79 | N | 86.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | trans | -67.8 | 178 | 168.3 | 77.3 | -1.9 | 0 | 0 | 0 | 111.1 | G49 Q50 H54 E81 G82 W83 | G49-N79 WeakPolarHBondContact O-CB 3.36Å; Q50-N79 HydrophobicContact CG-CB 4.46Å; H54-N79 PolarHBondContact NE2-N 3.42Å; N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 VanDerWaalsContact O-N 3.11Å; N79-E81 WeakPolarHBondContact OD1-CA 3.47Å; N79-E81 WeakPolarHBondContact OD1-CB 3.21Å; N79-E81 PolarHBondContact OD1-N 3.04Å; N79-G82 PolarHBondContact O-N 3.2Å; N79-G82 PolarHBondContact OD1-N 3.39Å; N79-G82 VanDerWaalsContact OD1-N 3.15Å; N79-W83 PolarHBondContact N-O 3.15Å; N79-W83 WeakPolarHBondContact OD1-CA 3.34Å; N79-W83 WeakPolarHBondContact OD1-CB 3.36Å; N79-W83 PolarHBondContact OD1-N 2.96Å; N79-W83 PolarHBondContact OD1-O 2.72Å | ||
| 80 | R | 85.6 | Confident | 87.4 | Confident | 192 Ų | 192 | 69.3 Ų | 69.3 | 73% | 0.725 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.1 | 178.2 | -77.6 | -171.5 | -171.6 | -171.8 | 1.9 | 114.8 | G49 G82 | G49-R80 VanDerWaalsContact CA-CD 3.47Å; G49-R80 PolarHBondContact O-N 3.3Å; R80-G82 VanDerWaalsContact C-N 3.31Å |
| 81 | E | 85.3 | Confident | 87.7 | Confident | 145 Ų | 145 | 68.9 Ų | 68.9 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.5 | 177.9 | -59.3 | -174.7 | 96.4 | 0 | 0 | 112.6 | N79 W83 | N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 VanDerWaalsContact O-N 3.11Å; N79-E81 WeakPolarHBondContact OD1-CA 3.47Å; N79-E81 WeakPolarHBondContact OD1-CB 3.21Å; N79-E81 PolarHBondContact OD1-N 3.04Å; E81-W83 VanDerWaalsContact C-N 3.34Å |
| 82 | G | 87.6 | Confident | 88.1 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 82 | 11 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N79 R80 | N79-G82 PolarHBondContact O-N 3.2Å; N79-G82 PolarHBondContact OD1-N 3.39Å; N79-G82 VanDerWaalsContact OD1-N 3.15Å; R80-G82 VanDerWaalsContact C-N 3.31Å |
| 83 | W | 89.3 | Confident | 88.5 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | trans | -91.8 | 127.4 | -179.5 | -70.8 | 41.1 | 0 | 0 | 0 | 110.2 | H54 A78 N79 E81 H87 I88 F91 | H54-W83 PolarHBondContact NE2-O 3.42Å; H54-W83 VanDerWaalsContact NE2-O 3.14Å; A78-W83 CarbonylContact C-O 3.59Å; A78-W83 WeakPolarHBondContact CA-O 3.37Å; N79-W83 PolarHBondContact N-O 3.15Å; N79-W83 WeakPolarHBondContact OD1-CA 3.34Å; N79-W83 WeakPolarHBondContact OD1-CB 3.36Å; N79-W83 PolarHBondContact OD1-N 2.96Å; N79-W83 PolarHBondContact OD1-O 2.72Å; E81-W83 VanDerWaalsContact C-N 3.34Å; W83-H87 HydrophobicContact CB-CB 4.22Å; W83-H87 HydrophobicContact CD2-CB 4.35Å; W83-H87 HydrophobicContact CE3-CB 4.14Å; W83-H87 HydrophobicContact CG-CB 4.41Å; W83-I88 HydrophobicContact CB-CG1 4.33Å; W83-I88 HydrophobicContact CE3-CG1 4.1Å; W83-F91 HydrophobicContact CH2-CD2 4.14Å; W83-F91 HydrophobicContact CH2-CG 4.28Å; W83-F91 HydrophobicContact CZ3-CB 3.97Å; W83-F91 HydrophobicContact CZ3-CD1 4.41Å; W83-F91 HydrophobicContact CZ3-CD2 4.28Å; W83-F91 AromaticContact CZ3-CG 3.96Å; W83-F91 HydrophobicContact CZ3-CG 3.96Å | ||
| 84 | S | 90.3 | Very high | 88.7 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -82.2 | 165.1 | 170.8 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | L86 H87 I88 | S84-L86 PolarHBondContact O-N 3.03Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.03Å; S84-H87 PolarHBondContact N-ND1 2.71Å; S84-H87 WeakPolarHBondContact O-CB 3.45Å; S84-H87 PolarHBondContact O-N 3.23Å; S84-H87 PolarHBondContact OG-N 3.24Å; S84-H87 PolarHBondContact OG-ND1 3.44Å; S84-I88 PolarHBondContact O-N 2.87Å |
| 85 | A | 89.3 | Confident | 89 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -50 | -36.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L53 V57 A89 L101 | L53-A85 HydrophobicContact CD2-CB 3.78Å; L53-A85 HydrophobicContact CG-CB 4.07Å; V57-A85 WeakPolarHBondContact CG1-O 3.4Å; V57-A85 HydrophobicContact CG2-CB 4.18Å; A85-A89 WeakPolarHBondContact O-CB 3.34Å; A85-A89 PolarHBondContact O-N 3.21Å; A85-L101 HydrophobicContact CB-CD1 3.93Å; A85-L101 HydrophobicContact CB-CD2 4.49Å |
| 86 | L | 90.6 | Very high | 89.3 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 34% | 0.335 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.4 | -38.8 | 178.2 | -171.2 | 65.8 | 0 | 0 | 0 | 112.7 | S84 I88 A89 A90 V98 L101 I102 | S84-L86 PolarHBondContact O-N 3.03Å; S84-L86 VanDerWaalsContact O-N 3.12Å; S84-L86 PolarHBondContact OG-N 3.03Å; L86-I88 VanDerWaalsContact C-N 3.35Å; L86-A89 PolarHBondContact O-N 3.17Å; L86-A90 WeakPolarHBondContact O-CB 3.31Å; L86-A90 PolarHBondContact O-N 3.05Å; L86-V98 HydrophobicContact CD1-CB 4.44Å; L86-V98 HydrophobicContact CD1-CG1 3.99Å; L86-V98 HydrophobicContact CD1-CG2 4.49Å; L86-L101 HydrophobicContact CD1-CB 4.21Å; L86-L101 HydrophobicContact CD1-CD1 4.5Å; L86-I102 HydrophobicContact CD1-CD1 4.32Å; L86-I102 HydrophobicContact CD1-CG1 3.88Å; L86-I102 HydrophobicContact CD2-CG1 4.36Å |
| 87 | H | 90.6 | Very high | 89.7 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 48% | 0.477 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176 | -64.8 | 148.5 | 0 | 0 | 0 | 110.9 | W83 S84 A90 F91 | W83-H87 HydrophobicContact CB-CB 4.22Å; W83-H87 HydrophobicContact CD2-CB 4.35Å; W83-H87 HydrophobicContact CE3-CB 4.14Å; W83-H87 HydrophobicContact CG-CB 4.41Å; S84-H87 PolarHBondContact N-ND1 2.71Å; S84-H87 WeakPolarHBondContact O-CB 3.45Å; S84-H87 PolarHBondContact O-N 3.23Å; S84-H87 PolarHBondContact OG-N 3.24Å; S84-H87 PolarHBondContact OG-ND1 3.44Å; H87-A90 PolarHBondContact O-N 3.48Å; H87-F91 WeakPolarHBondContact O-CB 3.31Å; H87-F91 PolarHBondContact O-N 2.99Å |
| 88 | I | 90.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 8% | 0.077 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 178.1 | -57.6 | -178.4 | 0 | 0 | 0 | 110.8 | H54 V57 I58 W83 S84 L86 A90 F91 G92 | H54-I88 HydrophobicContact CB-CD1 3.87Å; V57-I88 HydrophobicContact CB-CG2 4.37Å; V57-I88 HydrophobicContact CG1-CB 3.92Å; V57-I88 HydrophobicContact CG1-CG2 3.78Å; I58-I88 HydrophobicContact CB-CG2 4.45Å; I58-I88 HydrophobicContact CD1-CD1 4.4Å; I58-I88 HydrophobicContact CG1-CD1 4.23Å; I58-I88 HydrophobicContact CG1-CG2 3.52Å; W83-I88 HydrophobicContact CB-CG1 4.33Å; W83-I88 HydrophobicContact CE3-CG1 4.1Å; S84-I88 PolarHBondContact O-N 2.87Å; L86-I88 VanDerWaalsContact C-N 3.35Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.33Å; I88-F91 PolarHBondContact O-N 2.94Å; I88-G92 PolarHBondContact O-N 3.06Å |
| 89 | A | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | V57 A85 L86 G93 H94 I97 V98 L101 | V57-A89 VanDerWaalsContact CG1-CA 3.46Å; V57-A89 HydrophobicContact CG1-CB 3.51Å; V57-A89 VanDerWaalsContact CG1-N 3.31Å; A85-A89 WeakPolarHBondContact O-CB 3.34Å; A85-A89 PolarHBondContact O-N 3.21Å; L86-A89 PolarHBondContact O-N 3.17Å; A89-G93 PolarHBondContact O-N 2.96Å; A89-H94 PolarHBondContact O-N 3.27Å; A89-I97 HydrophobicContact CB-CB 4.31Å; A89-I97 HydrophobicContact CB-CG2 3.84Å; A89-V98 HydrophobicContact CB-CG2 3.53Å; A89-L101 HydrophobicContact CB-CD1 4.22Å |
| 90 | A | 91.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 73.4 Ų | 73.4 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L86 H87 I88 G93 V98 | L86-A90 WeakPolarHBondContact O-CB 3.31Å; L86-A90 PolarHBondContact O-N 3.05Å; H87-A90 PolarHBondContact O-N 3.48Å; I88-A90 VanDerWaalsContact C-N 3.29Å; I88-A90 PolarHBondContact O-N 3.33Å; A90-G93 PolarHBondContact O-N 2.8Å; A90-V98 HydrophobicContact CB-CG2 4.48Å |
| 91 | F | 91.8 | Very high | 90.4 | Very high | 165 Ų | 165 | 64.5 Ų | 64.5 | 72% | 0.724 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 177.2 | -176.6 | -98.1 | 0 | 0 | 0 | 112.4 | W83 H87 I88 G93 | W83-F91 HydrophobicContact CH2-CD2 4.14Å; W83-F91 HydrophobicContact CH2-CG 4.28Å; W83-F91 HydrophobicContact CZ3-CB 3.97Å; W83-F91 HydrophobicContact CZ3-CD1 4.41Å; W83-F91 HydrophobicContact CZ3-CD2 4.28Å; W83-F91 AromaticContact CZ3-CG 3.96Å; W83-F91 HydrophobicContact CZ3-CG 3.96Å; H87-F91 WeakPolarHBondContact O-CB 3.31Å; H87-F91 PolarHBondContact O-N 2.99Å; I88-F91 PolarHBondContact O-N 2.94Å; F91-G93 PolarHBondContact O-N 2.92Å |
| 92 | G | 88 | Confident | 90.5 | Very high | 41 Ų | 41 | 60.8 Ų | 60.8 | 42% | 0.423 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -6.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | I88 H94 | I88-G92 PolarHBondContact O-N 3.06Å; G92-H94 VanDerWaalsContact C-N 3.26Å; G92-H94 PolarHBondContact O-N 3.31Å |
| 93 | G | 90.7 | Very high | 90.5 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 53% | 0.526 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 18.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A89 A90 F91 Q95 | A89-G93 PolarHBondContact O-N 2.96Å; A90-G93 PolarHBondContact O-N 2.8Å; F91-G93 PolarHBondContact O-N 2.92Å; G93-Q95 VanDerWaalsContact C-N 3.3Å; G93-Q95 PolarHBondContact O-N 3.34Å |
| 94 | H | 91.9 | Very high | 90.3 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 27% | 0.269 | 33% | 0.334 | S | S | . | . | trans | -79.2 | 74.8 | -178.4 | -58.6 | -48.4 | 0 | 0 | 0 | 111.5 | V57 A89 G92 D96 I97 V98 | V57-H94 PolarHBondContact O-CD2 3.42Å; V57-H94 PolarHBondContact O-NE2 3.33Å; A89-H94 PolarHBondContact O-N 3.27Å; G92-H94 VanDerWaalsContact C-N 3.26Å; G92-H94 PolarHBondContact O-N 3.31Å; H94-D96 VanDerWaalsContact C-N 3.29Å; H94-D96 PolarHBondContact O-N 3.13Å; H94-I97 HydrophobicContact CB-CB 4Å; H94-I97 HydrophobicContact CB-CD1 3.85Å; H94-I97 HydrophobicContact CB-CG1 4.08Å; H94-I97 PolarHBondContact O-N 3.28Å; H94-V98 WeakPolarHBondContact O-CG2 3.48Å; H94-V98 PolarHBondContact O-N 3.22Å | ||
| 95 | Q | 92.1 | Very high | 89.4 | Confident | 161 Ų | 161 | 62.6 Ų | 62.6 | 75% | 0.752 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.7 | -41.6 | -174.4 | -67.2 | -177.1 | 0.2 | 0 | 0 | 113.3 | G93 I97 V98 L99 | G93-Q95 VanDerWaalsContact C-N 3.3Å; G93-Q95 PolarHBondContact O-N 3.34Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 2.99Å; Q95-V98 PolarHBondContact O-N 2.8Å; Q95-L99 WeakPolarHBondContact O-CB 3.44Å; Q95-L99 PolarHBondContact O-N 3.36Å |
| 96 | D | 93.1 | Very high | 88 | Confident | 116 Ų | 116 | 69.9 Ų | 69.9 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.3 | -38.6 | 179.9 | -60.9 | -37 | 0 | 0 | 0 | 112.3 | L62 H94 Y100 | L62-D96 HydrophobicContact CD2-CB 4.03Å; H94-D96 VanDerWaalsContact C-N 3.29Å; H94-D96 PolarHBondContact O-N 3.13Å; D96-Y100 WeakPolarHBondContact O-CB 3.47Å; D96-Y100 PolarHBondContact O-N 2.92Å |
| 97 | I | 93 | Very high | 86.2 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.015 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.1 | -44.5 | 177.4 | -62.6 | 179.7 | 0 | 0 | 0 | 110 | V57 L62 V65 A89 H94 Q95 L99 Y100 L101 | V57-I97 HydrophobicContact CG1-CG2 4.19Å; V57-I97 HydrophobicContact CG2-CG2 3.93Å; L62-I97 HydrophobicContact CB-CG1 4.15Å; L62-I97 HydrophobicContact CD1-CG1 3.99Å; V65-I97 HydrophobicContact CG1-CG2 4.34Å; V65-I97 HydrophobicContact CG2-CD1 4.2Å; V65-I97 HydrophobicContact CG2-CG2 4.12Å; A89-I97 HydrophobicContact CB-CB 4.31Å; A89-I97 HydrophobicContact CB-CG2 3.84Å; H94-I97 HydrophobicContact CB-CB 4Å; H94-I97 HydrophobicContact CB-CD1 3.85Å; H94-I97 HydrophobicContact CB-CG1 4.08Å; H94-I97 PolarHBondContact O-N 3.28Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 2.99Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 2.95Å; I97-Y100 PolarHBondContact O-N 2.96Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.18Å; I97-L101 WeakPolarHBondContact O-CB 3.37Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.44Å; I97-L101 PolarHBondContact O-N 3.48Å |
| 98 | V | 91.6 | Very high | 84.3 | Confident | 32 Ų | 32 | 75.8 Ų | 75.8 | 19% | 0.194 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.6 | -49 | 174.9 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L86 A89 A90 H94 Q95 Y100 L101 I102 | L86-V98 HydrophobicContact CD1-CB 4.44Å; L86-V98 HydrophobicContact CD1-CG1 3.99Å; L86-V98 HydrophobicContact CD1-CG2 4.49Å; A89-V98 HydrophobicContact CB-CG2 3.53Å; A90-V98 HydrophobicContact CB-CG2 4.48Å; H94-V98 WeakPolarHBondContact O-CG2 3.48Å; H94-V98 PolarHBondContact O-N 3.22Å; Q95-V98 PolarHBondContact O-N 2.8Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.13Å; V98-L101 PolarHBondContact O-N 3.03Å; V98-I102 HydrophobicContact CG1-CD1 3.63Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.37Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.43Å; V98-I102 PolarHBondContact O-N 3.12Å |
| 99 | L | 91 | Very high | 82.3 | Confident | 113 Ų | 113 | 79.6 Ų | 79.6 | 59% | 0.592 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 179.2 | -176.1 | 64.7 | 0 | 0 | 0 | 111.3 | Q95 I97 T103 | Q95-L99 WeakPolarHBondContact O-CB 3.44Å; Q95-L99 PolarHBondContact O-N 3.36Å; I97-L99 VanDerWaalsContact C-N 3.32Å; I97-L99 PolarHBondContact O-N 2.95Å; L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.35Å; L99-T103 PolarHBondContact O-OG1 2.99Å |
| 100 | Y | 91.1 | Very high | 80.3 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 19% | 0.192 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 178.1 | -176.8 | -99 | 0 | 0 | 0 | 112.5 | L62 V65 K66 V69 D96 I97 V98 T103 K104 | L62-Y100 HydrophobicContact CD1-CG 4.32Å; V65-Y100 HydrophobicContact CG1-CD1 3.92Å; V65-Y100 HydrophobicContact CG1-CE1 4.2Å; K66-Y100 HydrophobicContact CG-CD1 4.47Å; K66-Y100 HydrophobicContact CG-CD2 4.13Å; K66-Y100 HydrophobicContact CG-CE1 4.06Å; K66-Y100 HydrophobicContact CG-CE2 3.69Å; K66-Y100 HydrophobicContact CG-CG 4.5Å; V69-Y100 HydrophobicContact CB-CE1 4.14Å; V69-Y100 HydrophobicContact CG1-CE1 4.26Å; V69-Y100 HydrophobicContact CG2-CE1 4.13Å; D96-Y100 WeakPolarHBondContact O-CB 3.47Å; D96-Y100 PolarHBondContact O-N 2.92Å; I97-Y100 PolarHBondContact O-N 2.96Å; V98-Y100 VanDerWaalsContact C-N 3.34Å; V98-Y100 PolarHBondContact O-N 3.13Å; Y100-T103 WeakPolarHBondContact O-CB 3.44Å; Y100-T103 PolarHBondContact O-N 2.89Å; Y100-K104 HydrophobicContact CE1-CG 4.03Å; Y100-K104 HydrophobicContact CE2-CG 4.4Å; Y100-K104 PolarHBondContact O-N 3.03Å; Y100-K104 WeakPolarHBondContact OH-CE 3.17Å |
| 101 | L | 87.9 | Confident | 78 | Confident | 6 Ų | 6 | 84.8 Ų | 84.8 | 3% | 0.031 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | -179.8 | -69.3 | 175.1 | 0 | 0 | 0 | 111.6 | V57 V65 I75 A85 L86 A89 I97 V98 T103 K104 A105 | V57-L101 HydrophobicContact CG2-CD1 4.47Å; V65-L101 HydrophobicContact CG1-CD2 4.11Å; I75-L101 HydrophobicContact CB-CD2 4.01Å; I75-L101 HydrophobicContact CG2-CD2 3.61Å; A85-L101 HydrophobicContact CB-CD1 3.93Å; A85-L101 HydrophobicContact CB-CD2 4.49Å; L86-L101 HydrophobicContact CD1-CB 4.21Å; L86-L101 HydrophobicContact CD1-CD1 4.5Å; A89-L101 HydrophobicContact CB-CD1 4.22Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.18Å; I97-L101 WeakPolarHBondContact O-CB 3.37Å; I97-L101 VanDerWaalsContact O-CG 3.29Å; I97-L101 WeakPolarHBondContact O-CG 3.44Å; I97-L101 PolarHBondContact O-N 3.48Å; V98-L101 PolarHBondContact O-N 3.03Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; L101-K104 PolarHBondContact O-N 3.16Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.4Å |
| 102 | I | 87.3 | Confident | 75.8 | Confident | 66 Ų | 66 | 92 Ų | 92 | 34% | 0.338 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 176.5 | -68.4 | 170.3 | 0 | 0 | 0 | 110.8 | L86 V98 K104 A105 K106 | L86-I102 HydrophobicContact CD1-CD1 4.32Å; L86-I102 HydrophobicContact CD1-CG1 3.88Å; L86-I102 HydrophobicContact CD2-CG1 4.36Å; V98-I102 HydrophobicContact CG1-CD1 3.63Å; V98-I102 HydrophobicContact CG1-CG1 4.42Å; V98-I102 WeakPolarHBondContact O-CB 3.37Å; V98-I102 VanDerWaalsContact O-CG1 3.28Å; V98-I102 WeakPolarHBondContact O-CG1 3.43Å; V98-I102 PolarHBondContact O-N 3.12Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.39Å; I102-A105 PolarHBondContact O-N 3.08Å; I102-K106 HydrophobicContact CG2-CD 4.4Å; I102-K106 WeakPolarHBondContact O-CG 3.22Å; I102-K106 PolarHBondContact O-N 2.95Å; I102-K106 VanDerWaalsContact O-N 3.15Å |
| 103 | T | 87.9 | Confident | 75.2 | Confident | 59 Ų | 59 | 94.6 Ų | 94.6 | 36% | 0.362 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | L99 Y100 L101 A105 K106 Y107 | L99-T103 VanDerWaalsContact O-CB 3.28Å; L99-T103 WeakPolarHBondContact O-CB 3.43Å; L99-T103 PolarHBondContact O-N 3.35Å; L99-T103 PolarHBondContact O-OG1 2.99Å; Y100-T103 WeakPolarHBondContact O-CB 3.44Å; Y100-T103 PolarHBondContact O-N 2.89Å; L101-T103 VanDerWaalsContact C-N 3.33Å; L101-T103 PolarHBondContact O-N 3.18Å; T103-A105 PolarHBondContact O-N 3.09Å; T103-K106 PolarHBondContact O-N 2.99Å; T103-Y107 HydrophobicContact CG2-CD2 4.28Å; T103-Y107 HydrophobicContact CG2-CE2 3.68Å; T103-Y107 WeakPolarHBondContact O-CD2 3.36Å; T103-Y107 WeakPolarHBondContact O-CE2 3.08Å |
| 104 | K | 83.8 | Confident | 74.4 | Confident | 98 Ų | 98 | 96.8 Ų | 96.8 | 43% | 0.426 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 178.2 | -75.4 | -70.6 | -176.3 | 179.6 | 0 | 113.6 | V69 I75 Y100 L101 I102 K106 Y107 | V69-K104 HydrophobicContact CG1-CD 4.26Å; V69-K104 HydrophobicContact CG1-CG 4.19Å; I75-K104 HydrophobicContact CD1-CB 4.02Å; Y100-K104 HydrophobicContact CE1-CG 4.03Å; Y100-K104 HydrophobicContact CE2-CG 4.4Å; Y100-K104 PolarHBondContact O-N 3.03Å; Y100-K104 WeakPolarHBondContact OH-CE 3.17Å; L101-K104 PolarHBondContact O-N 3.16Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.39Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.46Å; K104-Y107 PolarHBondContact O-N 3.39Å |
| 105 | A | 72.4 | Confident | 73.4 | Confident | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I75 L101 I102 T103 Y107 S108 | I75-A105 HydrophobicContact CD1-CB 3.79Å; L101-A105 WeakPolarHBondContact O-CB 3.35Å; L101-A105 PolarHBondContact O-N 3.4Å; I102-A105 PolarHBondContact O-N 3.08Å; T103-A105 PolarHBondContact O-N 3.09Å; A105-Y107 PolarHBondContact O-N 3.22Å; A105-S108 PolarHBondContact O-N 3.09Å |
| 106 | K | 59 | Low | 72.3 | Confident | 153 Ų | 153 | 95.4 Ų | 95.4 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.2 | -26.2 | -178.1 | -75.4 | -175.6 | 175.5 | -177 | 0 | 114.5 | I102 T103 K104 S109 | I102-K106 HydrophobicContact CG2-CD 4.4Å; I102-K106 WeakPolarHBondContact O-CG 3.22Å; I102-K106 PolarHBondContact O-N 2.95Å; I102-K106 VanDerWaalsContact O-N 3.15Å; T103-K106 PolarHBondContact O-N 2.99Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 3.46Å; K106-S109 PolarHBondContact O-OG 3.07Å; K106-S109 VanDerWaalsContact O-OG 3.06Å |
| 107 | Y | 53.6 | Low | 71 | Confident | 189 Ų | 189 | 94.1 Ų | 94.1 | 74% | 0.741 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -85.7 | -9.5 | -180 | -67.1 | -69.1 | 0 | 0 | 0 | 113.7 | T103 K104 A105 | T103-Y107 HydrophobicContact CG2-CD2 4.28Å; T103-Y107 HydrophobicContact CG2-CE2 3.68Å; T103-Y107 WeakPolarHBondContact O-CD2 3.36Å; T103-Y107 WeakPolarHBondContact O-CE2 3.08Å; K104-Y107 PolarHBondContact O-N 3.39Å; A105-Y107 PolarHBondContact O-N 3.22Å |
| 108 | S | 50.5 | Low | 69.5 | Low | 102 Ų | 102 | 100.1 Ų | 100.1 | 71% | 0.713 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -85.8 | -11.3 | 178 | -162.7 | 0 | 0 | 0 | 0 | 113.8 | A105 G110 | A105-S108 PolarHBondContact O-N 3.09Å; S108-G110 VanDerWaalsContact C-N 3.27Å; S108-G110 PolarHBondContact O-N 2.96Å |
| 109 | S | 49.2 | Very low | 68 | Low | 95 Ų | 95 | 105 Ų | 105 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -86.9 | 19.8 | 179.3 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | K106 | K106-S109 PolarHBondContact O-OG 3.07Å; K106-S109 VanDerWaalsContact O-OG 3.06Å |
| 110 | G | 48.3 | Very low | 66.2 | Low | 75 Ų | 75 | 104.4 Ų | 104.4 | 77% | 0.773 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -91.1 | -2.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | S108 | S108-G110 VanDerWaalsContact C-N 3.27Å; S108-G110 PolarHBondContact O-N 2.96Å |
| 111 | A | 44.2 | Very low | 64.1 | Low | 98 Ų | 98 | 109 Ų | 109 | 81% | 0.81 | 60% | 0.595 | S | S | * | * | trans | -102.5 | 92.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 112 | R | 45.2 | Very low | 61.9 | Low | 317 Ų | 317 | 118.4 Ų | 118.4 | 100% | 1.196 | 65% | 0.646 | S | S | * | * | trans | -94.4 | 0 | 160 | -88.8 | -177.4 | 170.9 | 159.1 | -2.6 | 108.8 |
Retrieved 112 of 112 residues in 511.1 ms
(Link to these results)