| 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 | 36.8 | Very low | 45.5 | Very low | 249 Ų | 249 | 117.9 Ų | 117.9 | 100% | 1.227 | 74% | 0.735 | S | S | * | * | 0 | 101.6 | 0 | -67.7 | 168.1 | 170.1 | 0 | 0 | 106.9 | |||||
| 2 | S | 32.6 | Very low | 47.3 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | trans | -135.7 | 99.5 | 172.3 | 167.6 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 3 | V | 41.3 | Very low | 49.1 | Very low | 126 Ų | 126 | 107.7 Ų | 107.7 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -80.9 | 111.6 | 169.7 | 175.6 | 0 | 0 | 0 | 0 | 104.8 | M5 | V3-M5 PolarHBondContact O-N 3.03Š| ||
| 4 | G | 38.1 | Very low | 51.2 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | trans | -72.2 | 92.7 | 174 | 0 | 0 | 0 | 0 | 0 | 108.7 | V6 | G4-V6 PolarHBondContact O-N 2.56Š| ||
| 5 | M | 43.7 | Very low | 52.9 | Low | 175 Ų | 175 | 101.6 Ų | 101.6 | 86% | 0.862 | 62% | 0.617 | S | S | * | * | trans | -64.4 | 101.3 | 168.9 | -153.8 | 169.8 | 96.3 | 0 | 0 | 106.8 | V3 S7 | V3-M5 PolarHBondContact O-N 3.03Å; M5-S7 VanDerWaalsContact C-N 3.35Å; M5-S7 PolarHBondContact O-N 3.41Å | ||
| 6 | V | 47.4 | Very low | 54.3 | Low | 117 Ų | 117 | 95.3 Ų | 95.3 | 71% | 0.709 | 58% | 0.578 | S | S | * | * | trans | -64.4 | 101.3 | 174 | -175 | 0 | 0 | 0 | 0 | 106.1 | G4 L8 | G4-V6 PolarHBondContact O-N 2.56Å; V6-L8 HydrophobicContact CB-CD1 4.31Å; V6-L8 HydrophobicContact CG1-CD1 3.72Å; V6-L8 PolarHBondContact O-N 3.21Å | ||
| 7 | S | 47.1 | Very low | 55.3 | Low | 111 Ų | 111 | 96 Ų | 96 | 78% | 0.776 | 57% | 0.574 | S | S | * | * | trans | -68.1 | 82.9 | 167.9 | -179 | 0 | 0 | 0 | 0 | 107.2 | M5 S9 | M5-S7 VanDerWaalsContact C-N 3.35Å; M5-S7 PolarHBondContact O-N 3.41Å; S7-S9 PolarHBondContact O-N 2.95Å | ||
| 8 | L | 53.1 | Low | 55.6 | Low | 70 Ų | 70 | 94.3 Ų | 94.3 | 37% | 0.366 | 56% | 0.559 | S | S | . | * | trans | -57.6 | 120.8 | 163.8 | -97.5 | 87.1 | 0 | 0 | 0 | 106.4 | V6 A10 C13 Y43 | V6-L8 HydrophobicContact CB-CD1 4.31Å; V6-L8 HydrophobicContact CG1-CD1 3.72Å; V6-L8 PolarHBondContact O-N 3.21Å; L8-A10 PolarHBondContact O-N 3.02Å; L8-C13 HydrophobicContact CD2-CB 3.7Å; L8-Y43 HydrophobicContact CD2-CD1 4.39Å; L8-Y43 HydrophobicContact CD2-CD2 3.27Å; L8-Y43 HydrophobicContact CD2-CE2 3.92Å; L8-Y43 HydrophobicContact CD2-CG 3.54Å; L8-Y43 HydrophobicContact CG-CD2 4.07Å; L8-Y43 HydrophobicContact CG-CE2 4.26Å | ||
| 9 | S | 49.1 | Very low | 56 | Low | 57 Ų | 57 | 92.7 Ų | 92.7 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | trans | -52.7 | 125.1 | 170.5 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | S7 T11 D12 | S7-S9 PolarHBondContact O-N 2.95Å; S9-T11 PolarHBondContact O-N 2.91Å; S9-T11 PolarHBondContact OG-OG1 3.42Å; S9-D12 WeakPolarHBondContact CB-OD2 3.03Å; S9-D12 PolarHBondContact O-N 2.85Å | ||
| 10 | A | 53.9 | Low | 56.1 | Low | 99 Ų | 99 | 96.8 Ų | 96.8 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -10.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L8 | L8-A10 PolarHBondContact O-N 3.02Š|
| 11 | T | 57.4 | Low | 56.2 | Low | 109 Ų | 109 | 97.7 Ų | 97.7 | 67% | 0.669 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -15.8 | 176.3 | -13.7 | 0 | 0 | 0 | 0 | 114.2 | S9 | S9-T11 PolarHBondContact O-N 2.91Å; S9-T11 PolarHBondContact OG-OG1 3.42Å |
| 12 | D | 66.9 | Low | 57.1 | Low | 74 Ų | 74 | 88.1 Ų | 88.1 | 40% | 0.396 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -4.8 | -174.1 | -64.9 | -36.6 | 0 | 0 | 0 | 113.4 | S9 K42 Y43 | S9-D12 WeakPolarHBondContact CB-OD2 3.03Å; S9-D12 PolarHBondContact O-N 2.85Å; D12-K42 HydrophobicContact CB-CB 4.23Å; D12-K42 PolarHBondContact O-N 3.46Å; D12-Y43 PolarHBondContact O-N 3.41Å; D12-Y43 VanDerWaalsContact O-N 3.14Å |
| 13 | C | 71 | Confident | 58.6 | Low | 29 Ų | 29 | 92.6 Ų | 92.6 | 20% | 0.196 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.4 | -175.4 | -166.2 | 0 | 0 | 0 | 0 | 110.5 | L8 Y43 | L8-C13 HydrophobicContact CD2-CB 3.7Å; C13-Y43 CarbonylContact C-O 3.59Å; C13-Y43 WeakPolarHBondContact CA-O 3.01Å |
| 14 | Y | 77.9 | Confident | 59.7 | Low | 49 Ų | 49 | 91.2 Ų | 91.2 | 19% | 0.192 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.9 | 170.9 | -165.5 | -95.4 | 0 | 0 | 0 | 109.5 | V16 E32 A36 Y41 Y43 I44 V45 | Y14-V16 HydrophobicContact CD1-CG2 3.86Å; Y14-V16 HydrophobicContact CE1-CG2 3.96Å; Y14-E32 HydrophobicContact CE1-CB 4.44Å; Y14-A36 HydrophobicContact CD1-CB 3.54Å; Y14-A36 HydrophobicContact CE1-CB 4.06Å; Y14-A36 HydrophobicContact CG-CB 3.82Å; Y14-Y41 HydrophobicContact CD2-CD2 4.08Å; Y14-Y41 AromaticContact CD2-CE2 3.54Å; Y14-Y41 HydrophobicContact CD2-CE2 3.54Å; Y14-Y41 AromaticContact CD2-CZ 3.81Å; Y14-Y41 HydrophobicContact CE2-CE2 4.33Å; Y14-Y41 HydrophobicContact CG-CD2 4.05Å; Y14-Y41 AromaticContact CG-CE2 3.99Å; Y14-Y41 HydrophobicContact CG-CE2 3.99Å; Y14-Y43 PolarHBondContact N-O 3.17Å; Y14-I44 CarbonylContact O-C 3.55Å; Y14-I44 WeakPolarHBondContact O-CA 3.14Å; Y14-V45 PolarHBondContact O-N 2.97Å |
| 15 | I | 76.6 | Confident | 61.1 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.8 | 179.1 | -54.3 | 174.8 | 0 | 0 | 0 | 106.9 | V45 E47 | I15-V45 HydrophobicContact CB-CB 4.49Å; I15-V45 HydrophobicContact CG1-CB 4.19Å; I15-V45 HydrophobicContact CG2-CB 4.33Å; I15-V45 HydrophobicContact CG2-CG1 4.38Å; I15-E47 HydrophobicContact CG2-CG 4.02Å |
| 16 | V | 75.6 | Confident | 62.3 | Low | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 111.4 | 174.2 | -167.4 | 0 | 0 | 0 | 0 | 107.7 | Y14 F29 E32 I44 V45 E47 P48 | Y14-V16 HydrophobicContact CD1-CG2 3.86Å; Y14-V16 HydrophobicContact CE1-CG2 3.96Å; V16-F29 HydrophobicContact CB-CD2 4.27Å; V16-F29 HydrophobicContact CB-CE2 3.81Å; V16-F29 HydrophobicContact CG1-CD2 3.25Å; V16-F29 HydrophobicContact CG1-CE2 3.28Å; V16-F29 HydrophobicContact CG1-CG 4.32Å; V16-F29 HydrophobicContact CG1-CZ 4.38Å; V16-F29 HydrophobicContact CG2-CE2 4.41Å; V16-E32 HydrophobicContact CG1-CB 4.07Å; V16-I44 HydrophobicContact CG2-CG2 3.92Å; V16-V45 PolarHBondContact N-O 2.94Å; V16-E47 PolarHBondContact O-N 3.22Å; V16-P48 WeakPolarHBondContact O-CD 3.42Å |
| 17 | H | 71.6 | Confident | 63.7 | Low | 108 Ų | 108 | 84.8 Ų | 84.8 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | trans | -81.9 | 146.3 | -173.3 | -73.9 | -61.3 | 0 | 0 | 0 | 112.4 | I19 E47 | H17-I19 PolarHBondContact O-N 2.79Å; H17-E47 WeakPolarHBondContact CA-OE2 3.34Å; H17-E47 IonicContact CE1-OE1 3.8Å; H17-E47 IonicContact CE1-OE2 3.42Å; H17-E47 IonicContact CG-OE2 3.64Å; H17-E47 VanDerWaalsContact ND1-CD 3.33Å; H17-E47 IonicContact ND1-OE1 3.69Å; H17-E47 PolarHBondContact ND1-OE1 3.34Å; H17-E47 IonicContact ND1-OE2 2.79Å; H17-E47 PolarHBondContact ND1-OE2 2.97Å | ||
| 18 | E | 60.8 | Low | 65 | Low | 65 Ų | 65 | 84 Ų | 84 | 30% | 0.304 | 46% | 0.462 | S | S | . | . | trans | -75 | 113.5 | 178.7 | -173.2 | 168.5 | -153.1 | 0 | 0 | 111.8 | Y20 E47 P48 | E18-Y20 HydrophobicContact CB-CD2 4.35Å; E18-Y20 HydrophobicContact CB-CE2 3.92Å; E18-Y20 HydrophobicContact CG-CD2 3.79Å; E18-Y20 HydrophobicContact CG-CE1 4.42Å; E18-Y20 HydrophobicContact CG-CE2 3.35Å; E18-Y20 HydrophobicContact CG-CG 4.48Å; E18-Y20 PolarHBondContact OE1-OH 3.31Å; E18-Y20 WeakPolarHBondContact OE2-CE2 3.46Å; E18-Y20 PolarHBondContact OE2-OH 3.41Å; E18-E47 HydrophobicContact CB-CB 4.36Å; E18-P48 HydrophobicContact CB-CB 4.18Å; E18-P48 HydrophobicContact CG-CB 3.94Å | ||
| 19 | I | 63.7 | Low | 66 | Low | 65 Ų | 65 | 81.2 Ų | 81.2 | 33% | 0.333 | 45% | 0.447 | S | S | . | . | trans | -93.9 | 106.5 | 177.8 | -45.7 | 174.9 | 0 | 0 | 0 | 109.2 | H17 S21 Q28 | H17-I19 PolarHBondContact O-N 2.79Å; I19-S21 PolarHBondContact O-N 3.03Å; I19-Q28 HydrophobicContact CD1-CB 4.14Å; I19-Q28 VanDerWaalsContact CD1-CD 3.44Å; I19-Q28 HydrophobicContact CD1-CG 3.65Å | ||
| 20 | Y | 56.3 | Low | 67.2 | Low | 174 Ų | 174 | 82.5 Ų | 82.5 | 68% | 0.682 | 45% | 0.447 | S | S | * | . | trans | -81.1 | -3.8 | -169.5 | -88.3 | -84.3 | 0 | 0 | 0 | 116.9 | E18 | E18-Y20 HydrophobicContact CB-CD2 4.35Å; E18-Y20 HydrophobicContact CB-CE2 3.92Å; E18-Y20 HydrophobicContact CG-CD2 3.79Å; E18-Y20 HydrophobicContact CG-CE1 4.42Å; E18-Y20 HydrophobicContact CG-CE2 3.35Å; E18-Y20 HydrophobicContact CG-CG 4.48Å; E18-Y20 PolarHBondContact OE1-OH 3.31Å; E18-Y20 WeakPolarHBondContact OE2-CE2 3.46Å; E18-Y20 PolarHBondContact OE2-OH 3.41Å | ||
| 21 | S | 58.6 | Low | 68.5 | Low | 115 Ų | 115 | 85.1 Ų | 85.1 | 80% | 0.804 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -159.6 | 100.9 | -175.4 | -71.4 | 0 | 0 | 0 | 0 | 113.8 | I19 | I19-S21 PolarHBondContact O-N 3.03Š|
| 22 | G | 56.8 | Low | 69.6 | Low | 49 Ų | 49 | 81.8 Ų | 81.8 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | trans | -179.8 | 142.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | N24 A25 | G22-N24 PolarHBondContact O-N 2.92Å; G22-A25 WeakPolarHBondContact O-CB 3.41Å; G22-A25 PolarHBondContact O-N 2.9Å; G22-A25 VanDerWaalsContact O-N 3.09Å | ||
| 23 | E | 62.6 | Low | 70.2 | Confident | 215 Ų | 215 | 79.2 Ų | 79.2 | 100% | 1.005 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -13.6 | 174.3 | -159.1 | 170.6 | 105.4 | 0 | 0 | 112.6 | ||
| 24 | N | 64.6 | Low | 70.7 | Confident | 97 Ų | 97 | 83.4 Ų | 83.4 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 17.1 | -174.8 | -148 | 86.3 | 0 | 0 | 0 | 113.6 | G22 Q26 D27 Q28 | G22-N24 PolarHBondContact O-N 2.92Å; N24-Q26 PolarHBondContact O-N 2.87Å; N24-D27 PolarHBondContact O-N 3.17Å; N24-D27 PolarHBondContact OD1-OD2 2.89Å; N24-Q28 PolarHBondContact O-N 3.18Å |
| 25 | A | 68.6 | Low | 70.9 | Confident | 31 Ų | 31 | 85.5 Ų | 85.5 | 26% | 0.256 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64 | -27.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G22 F29 | G22-A25 WeakPolarHBondContact O-CB 3.41Å; G22-A25 PolarHBondContact O-N 2.9Å; G22-A25 VanDerWaalsContact O-N 3.09Å; A25-F29 PolarHBondContact O-N 2.82Å |
| 26 | Q | 69 | Low | 71.1 | Confident | 105 Ų | 105 | 82 Ų | 82 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.5 | -51.5 | 175.8 | -177.3 | 179.4 | -23.8 | 0 | 0 | 111.6 | N24 Q28 F29 E30 I51 | N24-Q26 PolarHBondContact O-N 2.87Å; Q26-Q28 PolarHBondContact O-N 2.82Å; Q26-F29 WeakPolarHBondContact O-CB 3.39Å; Q26-F29 PolarHBondContact O-N 2.98Å; Q26-F29 VanDerWaalsContact O-N 3.13Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.35Å; Q26-E30 PolarHBondContact NE2-OE1 3.49Å; Q26-E30 WeakPolarHBondContact O-CG 3.35Å; Q26-E30 PolarHBondContact O-N 3.42Å; Q26-I51 HydrophobicContact CG-CD1 4.34Å |
| 27 | D | 76 | Confident | 71.2 | Confident | 83 Ų | 83 | 82.7 Ų | 82.7 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.6 | -33.1 | -178.5 | -51.4 | -81 | 0 | 0 | 0 | 112.1 | N24 E30 Y31 | N24-D27 PolarHBondContact O-N 3.17Å; N24-D27 PolarHBondContact OD1-OD2 2.89Å; D27-E30 PolarHBondContact O-N 2.85Å; D27-Y31 WeakPolarHBondContact O-CB 3.09Å; D27-Y31 PolarHBondContact O-N 3.13Å |
| 28 | Q | 74.9 | Confident | 71.6 | Confident | 94 Ų | 94 | 85.5 Ų | 85.5 | 44% | 0.439 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 177.4 | -169.8 | 164.5 | -3.3 | 0 | 0 | 112.1 | I19 N24 Q26 E32 | I19-Q28 HydrophobicContact CD1-CB 4.14Å; I19-Q28 VanDerWaalsContact CD1-CD 3.44Å; I19-Q28 HydrophobicContact CD1-CG 3.65Å; N24-Q28 PolarHBondContact O-N 3.18Å; Q26-Q28 PolarHBondContact O-N 2.82Å; Q28-E32 PolarHBondContact O-N 3.03Å |
| 29 | F | 73.4 | Confident | 72.5 | Confident | 13 Ų | 13 | 85 Ų | 85 | 6% | 0.057 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 172 | 175.4 | -90.6 | 0 | 0 | 0 | 111.6 | V16 A25 Q26 Y31 E32 L33 I46 P48 I51 | V16-F29 HydrophobicContact CB-CD2 4.27Å; V16-F29 HydrophobicContact CB-CE2 3.81Å; V16-F29 HydrophobicContact CG1-CD2 3.25Å; V16-F29 HydrophobicContact CG1-CE2 3.28Å; V16-F29 HydrophobicContact CG1-CG 4.32Å; V16-F29 HydrophobicContact CG1-CZ 4.38Å; V16-F29 HydrophobicContact CG2-CE2 4.41Å; A25-F29 PolarHBondContact O-N 2.82Å; Q26-F29 WeakPolarHBondContact O-CB 3.39Å; Q26-F29 PolarHBondContact O-N 2.98Å; Q26-F29 VanDerWaalsContact O-N 3.13Å; F29-Y31 PolarHBondContact O-N 3.39Å; F29-E32 PolarHBondContact O-N 3.31Å; F29-L33 HydrophobicContact CE1-CB 4.36Å; F29-L33 HydrophobicContact CE1-CD2 3.95Å; F29-L33 HydrophobicContact CZ-CD2 4.4Å; F29-L33 WeakPolarHBondContact O-CB 3.22Å; F29-L33 PolarHBondContact O-N 3.13Å; F29-I46 HydrophobicContact CE2-CG1 4.5Å; F29-I46 HydrophobicContact CE2-CG2 3.74Å; F29-I46 HydrophobicContact CZ-CD1 4.22Å; F29-I46 HydrophobicContact CZ-CG1 4.15Å; F29-I46 HydrophobicContact CZ-CG2 3.7Å; F29-P48 HydrophobicContact CD2-CG 3.65Å; F29-P48 HydrophobicContact CE2-CG 3.55Å; F29-P48 HydrophobicContact CZ-CG 4.49Å; F29-I51 HydrophobicContact CD1-CG2 3.67Å; F29-I51 HydrophobicContact CE1-CG2 3.66Å; F29-I51 HydrophobicContact CG-CG2 4.48Å; F29-I51 HydrophobicContact CZ-CG2 4.47Å |
| 30 | E | 75.5 | Confident | 73.1 | Confident | 84 Ų | 84 | 88.8 Ų | 88.8 | 39% | 0.393 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55.8 | -43.4 | 176.5 | -71.6 | 178.4 | -163.9 | 0 | 0 | 110.4 | Q26 D27 L33 E34 | Q26-E30 WeakPolarHBondContact CG-OE1 3.35Å; Q26-E30 PolarHBondContact NE2-OE1 3.49Å; Q26-E30 WeakPolarHBondContact O-CG 3.35Å; Q26-E30 PolarHBondContact O-N 3.42Å; D27-E30 PolarHBondContact O-N 2.85Å; E30-L33 PolarHBondContact O-N 3.31Å; E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 WeakPolarHBondContact O-CG 3.43Å; E30-E34 PolarHBondContact O-N 3.09Å |
| 31 | Y | 80 | Confident | 74.1 | Confident | 153 Ų | 153 | 83.9 Ų | 83.9 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.6 | -46.7 | 176 | -174.8 | -98.7 | 0 | 0 | 0 | 113.7 | D27 F29 L33 E34 Q35 | D27-Y31 WeakPolarHBondContact O-CB 3.09Å; D27-Y31 PolarHBondContact O-N 3.13Å; F29-Y31 PolarHBondContact O-N 3.39Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.33Å; Y31-E34 PolarHBondContact O-N 3.22Å; Y31-Q35 WeakPolarHBondContact O-CB 3.35Å; Y31-Q35 PolarHBondContact O-N 3.44Å |
| 32 | E | 81 | Confident | 75 | Confident | 40 Ų | 40 | 84.7 Ų | 84.7 | 19% | 0.187 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 177.6 | -76.4 | -171.9 | -168.1 | 0 | 0 | 112.1 | Y14 V16 Q28 F29 A36 | Y14-E32 HydrophobicContact CE1-CB 4.44Å; V16-E32 HydrophobicContact CG1-CB 4.07Å; Q28-E32 PolarHBondContact O-N 3.03Å; F29-E32 PolarHBondContact O-N 3.31Å; E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.02Å |
| 33 | L | 79.2 | Confident | 76 | Confident | 20 Ų | 20 | 87.8 Ų | 87.8 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67 | -47.9 | 175.5 | -179.3 | 62.9 | 0 | 0 | 0 | 111 | F29 E30 Y31 Q35 A36 L37 I44 T55 | F29-L33 HydrophobicContact CE1-CB 4.36Å; F29-L33 HydrophobicContact CE1-CD2 3.95Å; F29-L33 HydrophobicContact CZ-CD2 4.4Å; F29-L33 WeakPolarHBondContact O-CB 3.22Å; F29-L33 PolarHBondContact O-N 3.13Å; E30-L33 PolarHBondContact O-N 3.31Å; Y31-L33 VanDerWaalsContact C-N 3.31Å; Y31-L33 PolarHBondContact O-N 3.33Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.35Å; L33-A36 PolarHBondContact O-N 2.75Å; L33-A36 VanDerWaalsContact O-N 3.16Å; L33-L37 HydrophobicContact CD1-CD1 4.26Å; L33-L37 HydrophobicContact CD1-CG 4.3Å; L33-L37 HydrophobicContact CG-CD1 3.92Å; L33-L37 HydrophobicContact CG-CG 4.41Å; L33-L37 WeakPolarHBondContact O-CB 3.34Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.49Å; L33-I44 HydrophobicContact CD1-CD1 4.34Å; L33-I44 HydrophobicContact CD1-CG2 4.06Å; L33-T55 HydrophobicContact CD2-CG2 4.47Å |
| 34 | E | 81.3 | Confident | 76.9 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 54% | 0.542 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.3 | -45.5 | 174.7 | -78.6 | -176.8 | 170.5 | 0 | 0 | 111.1 | E30 Y31 A36 L37 E38 | E30-E34 WeakPolarHBondContact O-CB 3.44Å; E30-E34 WeakPolarHBondContact O-CG 3.43Å; E30-E34 PolarHBondContact O-N 3.09Å; Y31-E34 PolarHBondContact O-N 3.22Å; E34-A36 VanDerWaalsContact C-N 3.33Å; E34-A36 PolarHBondContact O-N 3.4Å; E34-L37 PolarHBondContact O-N 3.14Å; E34-E38 WeakPolarHBondContact O-CB 3.21Å; E34-E38 WeakPolarHBondContact O-CG 3.45Å; E34-E38 PolarHBondContact O-N 3.06Å |
| 35 | Q | 81.9 | Confident | 77.5 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 177.2 | -172 | 179.9 | 9.4 | 0 | 0 | 112.1 | Y31 L33 L37 E38 A39 | Y31-Q35 WeakPolarHBondContact O-CB 3.35Å; Y31-Q35 PolarHBondContact O-N 3.44Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.35Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; Q35-E38 PolarHBondContact O-N 2.79Å; Q35-A39 VanDerWaalsContact O-CB 3.29Å; Q35-A39 WeakPolarHBondContact O-CB 3.41Å; Q35-A39 PolarHBondContact O-N 3.43Å |
| 36 | A | 81 | Confident | 78 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y14 E32 L33 E34 A39 Q40 Y41 I44 | Y14-A36 HydrophobicContact CD1-CB 3.54Å; Y14-A36 HydrophobicContact CE1-CB 4.06Å; Y14-A36 HydrophobicContact CG-CB 3.82Å; E32-A36 WeakPolarHBondContact O-CB 3.36Å; E32-A36 PolarHBondContact O-N 3.02Å; L33-A36 PolarHBondContact O-N 2.75Å; L33-A36 VanDerWaalsContact O-N 3.16Å; E34-A36 VanDerWaalsContact C-N 3.33Å; E34-A36 PolarHBondContact O-N 3.4Å; A36-A39 PolarHBondContact O-N 3.19Å; A36-Q40 PolarHBondContact O-N 2.89Å; A36-Y41 HydrophobicContact CB-CD2 3.96Å; A36-Y41 HydrophobicContact CB-CE2 4.5Å; A36-Y41 WeakPolarHBondContact O-CD2 3.44Å; A36-Y41 PolarHBondContact O-N 3.43Å; A36-I44 HydrophobicContact CB-CD1 3.9Å; A36-I44 HydrophobicContact CB-CG1 4.22Å; A36-I44 HydrophobicContact CB-CG2 4.49Å |
| 37 | L | 77.4 | Confident | 78.2 | Confident | 16 Ų | 16 | 78.2 Ų | 78.2 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 176.4 | -69.6 | 169.5 | 0 | 0 | 0 | 112.1 | L33 E34 Q35 A39 Q40 I44 P114 C115 Y118 | L33-L37 HydrophobicContact CD1-CD1 4.26Å; L33-L37 HydrophobicContact CD1-CG 4.3Å; L33-L37 HydrophobicContact CG-CD1 3.92Å; L33-L37 HydrophobicContact CG-CG 4.41Å; L33-L37 WeakPolarHBondContact O-CB 3.34Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.49Å; E34-L37 PolarHBondContact O-N 3.14Å; Q35-L37 VanDerWaalsContact C-N 3.35Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-Q40 PolarHBondContact O-N 3.41Å; L37-Q40 VanDerWaalsContact O-N 3.11Å; L37-I44 HydrophobicContact CD2-CD1 3.71Å; L37-I44 HydrophobicContact CG-CD1 4.15Å; L37-P114 HydrophobicContact CB-CB 3.87Å; L37-P114 HydrophobicContact CB-CG 4.27Å; L37-P114 HydrophobicContact CD1-CB 4.3Å; L37-P114 HydrophobicContact CD2-CB 4.04Å; L37-P114 HydrophobicContact CG-CB 4.27Å; L37-C115 WeakPolarHBondContact CD1-SG 3.48Å; L37-Y118 HydrophobicContact CD2-CD2 3.87Å; L37-Y118 HydrophobicContact CD2-CE2 3.37Å |
| 38 | E | 81 | Confident | 78.1 | Confident | 166 Ų | 166 | 75 Ų | 75 | 78% | 0.776 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 173.6 | -78.1 | -168.6 | 161.5 | 0 | 0 | 111.7 | E34 Q35 Q40 | E34-E38 WeakPolarHBondContact O-CB 3.21Å; E34-E38 WeakPolarHBondContact O-CG 3.45Å; E34-E38 PolarHBondContact O-N 3.06Å; Q35-E38 PolarHBondContact O-N 2.79Å; E38-Q40 PolarHBondContact O-N 2.88Å |
| 39 | A | 80.6 | Confident | 77.8 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q35 A36 L37 Y41 | Q35-A39 VanDerWaalsContact O-CB 3.29Å; Q35-A39 WeakPolarHBondContact O-CB 3.41Å; Q35-A39 PolarHBondContact O-N 3.43Å; A36-A39 PolarHBondContact O-N 3.19Å; L37-A39 VanDerWaalsContact C-N 3.34Å; A39-Y41 VanDerWaalsContact C-N 3.3Å; A39-Y41 HydrophobicContact CB-CD2 3.65Å; A39-Y41 HydrophobicContact CB-CE2 3.35Å; A39-Y41 PolarHBondContact O-N 2.95Å |
| 40 | Q | 74.5 | Confident | 77.4 | Confident | 144 Ų | 144 | 84.5 Ų | 84.5 | 67% | 0.673 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 41.5 | -179.4 | -59.1 | -166.2 | -26.4 | 0 | 0 | 113.6 | A36 L37 E38 | A36-Q40 PolarHBondContact O-N 2.89Å; L37-Q40 PolarHBondContact O-N 3.41Å; L37-Q40 VanDerWaalsContact O-N 3.11Å; E38-Q40 PolarHBondContact O-N 2.88Å |
| 41 | Y | 78.4 | Confident | 77 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | trans | -58 | 141.8 | 174.7 | -74.4 | -75.9 | 0 | 0 | 0 | 111 | Y14 A36 A39 Y43 Y118 | Y14-Y41 HydrophobicContact CD2-CD2 4.08Å; Y14-Y41 AromaticContact CD2-CE2 3.54Å; Y14-Y41 HydrophobicContact CD2-CE2 3.54Å; Y14-Y41 AromaticContact CD2-CZ 3.81Å; Y14-Y41 HydrophobicContact CE2-CE2 4.33Å; Y14-Y41 HydrophobicContact CG-CD2 4.05Å; Y14-Y41 AromaticContact CG-CE2 3.99Å; Y14-Y41 HydrophobicContact CG-CE2 3.99Å; A36-Y41 HydrophobicContact CB-CD2 3.96Å; A36-Y41 HydrophobicContact CB-CE2 4.5Å; A36-Y41 WeakPolarHBondContact O-CD2 3.44Å; A36-Y41 PolarHBondContact O-N 3.43Å; A39-Y41 VanDerWaalsContact C-N 3.3Å; A39-Y41 HydrophobicContact CB-CD2 3.65Å; A39-Y41 HydrophobicContact CB-CE2 3.35Å; A39-Y41 PolarHBondContact O-N 2.95Å; Y41-Y43 VanDerWaalsContact C-N 3.33Å; Y41-Y43 PolarHBondContact O-N 2.87Å; Y41-Y118 VanDerWaalsContact O-CE1 3.23Å; Y41-Y118 WeakPolarHBondContact O-CE1 3.26Å; Y41-Y118 PolarHBondContact O-OH 3.22Å | ||
| 42 | K | 77.1 | Confident | 76.6 | Confident | 132 Ų | 132 | 75.9 Ų | 75.9 | 57% | 0.574 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -72.1 | -32 | -176.9 | -169.2 | 175.9 | 173.9 | 179.6 | 0 | 112.1 | D12 | D12-K42 HydrophobicContact CB-CB 4.23Å; D12-K42 PolarHBondContact O-N 3.46Å |
| 43 | Y | 78.1 | Confident | 76.3 | Confident | 113 Ų | 113 | 77.9 Ų | 77.9 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.6 | 178.3 | -60.7 | -83.6 | 0 | 0 | 0 | 109.7 | L8 D12 C13 Y14 Y41 | L8-Y43 HydrophobicContact CD2-CD1 4.39Å; L8-Y43 HydrophobicContact CD2-CD2 3.27Å; L8-Y43 HydrophobicContact CD2-CE2 3.92Å; L8-Y43 HydrophobicContact CD2-CG 3.54Å; L8-Y43 HydrophobicContact CG-CD2 4.07Å; L8-Y43 HydrophobicContact CG-CE2 4.26Å; D12-Y43 PolarHBondContact O-N 3.41Å; D12-Y43 VanDerWaalsContact O-N 3.14Å; C13-Y43 CarbonylContact C-O 3.59Å; C13-Y43 WeakPolarHBondContact CA-O 3.01Å; Y14-Y43 PolarHBondContact N-O 3.17Å; Y41-Y43 VanDerWaalsContact C-N 3.33Å; Y41-Y43 PolarHBondContact O-N 2.87Å |
| 44 | I | 80.4 | Confident | 76.1 | Confident | 37 Ų | 37 | 81.8 Ų | 81.8 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.6 | 174.9 | -55.7 | 174 | 0 | 0 | 0 | 106.7 | Y14 V16 L33 A36 L37 I46 Y118 | Y14-I44 CarbonylContact O-C 3.55Å; Y14-I44 WeakPolarHBondContact O-CA 3.14Å; V16-I44 HydrophobicContact CG2-CG2 3.92Å; L33-I44 HydrophobicContact CD1-CD1 4.34Å; L33-I44 HydrophobicContact CD1-CG2 4.06Å; A36-I44 HydrophobicContact CB-CD1 3.9Å; A36-I44 HydrophobicContact CB-CG1 4.22Å; A36-I44 HydrophobicContact CB-CG2 4.49Å; L37-I44 HydrophobicContact CD2-CD1 3.71Å; L37-I44 HydrophobicContact CG-CD1 4.15Å; I44-I46 HydrophobicContact CG2-CG1 4.4Å; I44-Y118 HydrophobicContact CD1-CE1 4.35Å |
| 45 | V | 79 | Confident | 75.7 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.2 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | Y14 I15 V16 | Y14-V45 PolarHBondContact O-N 2.97Å; I15-V45 HydrophobicContact CB-CB 4.49Å; I15-V45 HydrophobicContact CG1-CB 4.19Å; I15-V45 HydrophobicContact CG2-CB 4.33Å; I15-V45 HydrophobicContact CG2-CG1 4.38Å; V16-V45 PolarHBondContact N-O 2.94Å |
| 46 | I | 78.3 | Confident | 75.3 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 107.3 | 179.4 | -60.5 | 169.6 | 0 | 0 | 0 | 107.6 | F29 I44 P48 | F29-I46 HydrophobicContact CE2-CG1 4.5Å; F29-I46 HydrophobicContact CE2-CG2 3.74Å; F29-I46 HydrophobicContact CZ-CD1 4.22Å; F29-I46 HydrophobicContact CZ-CG1 4.15Å; F29-I46 HydrophobicContact CZ-CG2 3.7Å; I44-I46 HydrophobicContact CG2-CG1 4.4Å; I46-P48 HydrophobicContact CG2-CG 3.95Å |
| 47 | E | 74.1 | Confident | 75.2 | Confident | 85 Ų | 85 | 80.3 Ų | 80.3 | 40% | 0.397 | 39% | 0.385 | S | S | . | . | trans | -73.4 | -41.2 | 173.1 | -62.5 | -174.9 | 158.7 | 0 | 0 | 114 | I15 V16 H17 E18 T49 | I15-E47 HydrophobicContact CG2-CG 4.02Å; V16-E47 PolarHBondContact O-N 3.22Å; H17-E47 WeakPolarHBondContact CA-OE2 3.34Å; H17-E47 IonicContact CE1-OE1 3.8Å; H17-E47 IonicContact CE1-OE2 3.42Å; H17-E47 IonicContact CG-OE2 3.64Å; H17-E47 VanDerWaalsContact ND1-CD 3.33Å; H17-E47 IonicContact ND1-OE1 3.69Å; H17-E47 PolarHBondContact ND1-OE1 3.34Å; H17-E47 IonicContact ND1-OE2 2.79Å; H17-E47 PolarHBondContact ND1-OE2 2.97Å; E18-E47 HydrophobicContact CB-CB 4.36Å; E47-T49 PolarHBondContact O-N 3.05Å | ||
| 48 | P | 72.8 | Confident | 74.9 | Confident | 14 Ų | 14 | 86.5 Ų | 86.5 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | trans | -68.7 | 105.9 | -179.6 | 22 | -30.1 | 0 | 0 | 0 | 112.4 | V16 E18 F29 I46 R50 G52 | V16-P48 WeakPolarHBondContact O-CD 3.42Å; E18-P48 HydrophobicContact CB-CB 4.18Å; E18-P48 HydrophobicContact CG-CB 3.94Å; F29-P48 HydrophobicContact CD2-CG 3.65Å; F29-P48 HydrophobicContact CE2-CG 3.55Å; F29-P48 HydrophobicContact CZ-CG 4.49Å; I46-P48 HydrophobicContact CG2-CG 3.95Å; P48-R50 PolarHBondContact O-N 2.96Å; P48-G52 PolarHBondContact O-N 3.25Å | ||
| 49 | T | 67.8 | Low | 74.7 | Confident | 93 Ų | 93 | 79.3 Ų | 79.3 | 57% | 0.571 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | -174.7 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | E47 D53 | E47-T49 PolarHBondContact O-N 3.05Å; T49-D53 WeakPolarHBondContact O-CB 3.4Å; T49-D53 PolarHBondContact O-N 3.46Å |
| 50 | R | 65.9 | Low | 74.4 | Confident | 215 Ų | 215 | 80.6 Ų | 80.6 | 81% | 0.811 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -47.8 | -174.9 | -70 | -165.4 | -178.1 | -163.7 | 2 | 113.6 | P48 | P48-R50 PolarHBondContact O-N 2.96Å |
| 51 | I | 68.1 | Low | 74.5 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -79.6 | -36.9 | -177.6 | -55.4 | -74.5 | 0 | 0 | 0 | 109.8 | Q26 F29 D53 E54 T55 | Q26-I51 HydrophobicContact CG-CD1 4.34Å; F29-I51 HydrophobicContact CD1-CG2 3.67Å; F29-I51 HydrophobicContact CE1-CG2 3.66Å; F29-I51 HydrophobicContact CG-CG2 4.48Å; F29-I51 HydrophobicContact CZ-CG2 4.47Å; I51-D53 VanDerWaalsContact C-N 3.32Å; I51-D53 PolarHBondContact O-N 3.31Å; I51-E54 PolarHBondContact O-N 2.99Å; I51-E54 VanDerWaalsContact O-N 3.13Å; I51-T55 PolarHBondContact O-N 2.95Å; I51-T55 PolarHBondContact O-OG1 3.28Å |
| 52 | G | 71 | Confident | 74.1 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.5 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P48 E54 T55 A56 | P48-G52 PolarHBondContact O-N 3.25Å; G52-E54 VanDerWaalsContact C-N 3.34Å; G52-E54 PolarHBondContact O-N 2.94Å; G52-T55 PolarHBondContact O-N 3.35Å; G52-A56 VanDerWaalsContact O-CB 3.22Å; G52-A56 WeakPolarHBondContact O-CB 3.48Å; G52-A56 PolarHBondContact O-N 3.32Å |
| 53 | D | 75.4 | Confident | 73.9 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 175.9 | -79.5 | -24.8 | 0 | 0 | 0 | 112.8 | T49 I51 R57 Y122 | T49-D53 WeakPolarHBondContact O-CB 3.4Å; T49-D53 PolarHBondContact O-N 3.46Å; I51-D53 VanDerWaalsContact C-N 3.32Å; I51-D53 PolarHBondContact O-N 3.31Å; D53-R57 WeakPolarHBondContact O-CB 3.5Å; D53-R57 PolarHBondContact O-N 2.97Å; D53-Y122 PolarHBondContact OD1-OH 3.36Å |
| 54 | E | 74.8 | Confident | 73.6 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 48% | 0.477 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.6 | -49.6 | 174.5 | -70.3 | -174.8 | 171.7 | 0 | 0 | 110.9 | I51 G52 A56 R57 W58 | I51-E54 PolarHBondContact O-N 2.99Å; I51-E54 VanDerWaalsContact O-N 3.13Å; G52-E54 VanDerWaalsContact C-N 3.34Å; G52-E54 PolarHBondContact O-N 2.94Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 3.22Å; E54-R57 WeakPolarHBondContact O-CB 3.3Å; E54-R57 PolarHBondContact O-N 3.49Å; E54-W58 PolarHBondContact O-N 3.21Å |
| 55 | T | 72.9 | Confident | 73.1 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 175.6 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L33 I51 G52 R57 W58 I59 | L33-T55 HydrophobicContact CD2-CG2 4.47Å; I51-T55 PolarHBondContact O-N 2.95Å; I51-T55 PolarHBondContact O-OG1 3.28Å; G52-T55 PolarHBondContact O-N 3.35Å; T55-R57 VanDerWaalsContact C-N 3.34Å; T55-R57 PolarHBondContact O-N 2.81Å; T55-W58 PolarHBondContact O-N 3.09Å; T55-I59 HydrophobicContact CG2-CD1 4.03Å; T55-I59 WeakPolarHBondContact O-CG1 3.23Å; T55-I59 PolarHBondContact O-N 3.11Å |
| 56 | A | 73.1 | Confident | 72.8 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G52 E54 I59 T60 V120 Y122 | G52-A56 VanDerWaalsContact O-CB 3.22Å; G52-A56 WeakPolarHBondContact O-CB 3.48Å; G52-A56 PolarHBondContact O-N 3.32Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 3.22Å; A56-I59 PolarHBondContact O-N 3.25Å; A56-T60 WeakPolarHBondContact O-CB 3.29Å; A56-T60 PolarHBondContact O-N 3.49Å; A56-T60 PolarHBondContact O-OG1 3.21Å; A56-V120 HydrophobicContact CB-CB 4.29Å; A56-V120 HydrophobicContact CB-CG1 3.67Å; A56-V120 HydrophobicContact CB-CG2 3.72Å; A56-Y122 HydrophobicContact CB-CE2 4.48Å; A56-Y122 WeakPolarHBondContact CB-OH 3.42Å |
| 57 | R | 77.9 | Confident | 72.5 | Confident | 143 Ų | 143 | 74 Ų | 74 | 54% | 0.54 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.2 | -174.1 | -177 | 70.8 | 152.1 | 0 | 110.9 | D53 E54 T55 T60 V61 | D53-R57 WeakPolarHBondContact O-CB 3.5Å; D53-R57 PolarHBondContact O-N 2.97Å; E54-R57 WeakPolarHBondContact O-CB 3.3Å; E54-R57 PolarHBondContact O-N 3.49Å; T55-R57 VanDerWaalsContact C-N 3.34Å; T55-R57 PolarHBondContact O-N 2.81Å; R57-T60 PolarHBondContact O-N 3.48Å; R57-V61 HydrophobicContact CG-CG2 4.48Å; R57-V61 WeakPolarHBondContact O-CB 3.46Å; R57-V61 VanDerWaalsContact O-CG2 3.27Å; R57-V61 WeakPolarHBondContact O-CG2 3.05Å; R57-V61 PolarHBondContact O-N 2.93Å |
| 58 | W | 71.8 | Confident | 72.3 | Confident | 146 Ų | 146 | 73 Ų | 73 | 55% | 0.553 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.8 | -48.4 | 176.1 | -70.6 | 116.6 | 0 | 0 | 0 | 111.1 | E54 T55 T60 V61 G62 W110 | E54-W58 PolarHBondContact O-N 3.21Å; T55-W58 PolarHBondContact O-N 3.09Å; W58-T60 VanDerWaalsContact C-N 3.28Å; W58-T60 PolarHBondContact O-N 3.32Å; W58-V61 PolarHBondContact O-N 3.33Å; W58-G62 PolarHBondContact O-N 3.29Å; W58-W110 VanDerWaalsContact C-CH2 3.48Å; W58-W110 VanDerWaalsContact C-CZ2 3.42Å; W58-W110 HydrophobicContact CB-CH2 4.1Å; W58-W110 HydrophobicContact CB-CZ2 4.22Å; W58-W110 WeakPolarHBondContact O-CZ2 3.32Å |
| 59 | I | 75.8 | Confident | 72.1 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.8 | -43.3 | 175.9 | -66.8 | 166.2 | 0 | 0 | 0 | 111 | T55 A56 G62 N63 W110 C115 V120 | T55-I59 HydrophobicContact CG2-CD1 4.03Å; T55-I59 WeakPolarHBondContact O-CG1 3.23Å; T55-I59 PolarHBondContact O-N 3.11Å; A56-I59 PolarHBondContact O-N 3.25Å; I59-G62 PolarHBondContact O-N 3.31Å; I59-N63 PolarHBondContact O-N 2.88Å; I59-N63 PolarHBondContact O-ND2 3.11Å; I59-W110 VanDerWaalsContact CA-CH2 3.5Å; I59-W110 HydrophobicContact CB-CH2 4.32Å; I59-W110 HydrophobicContact CG1-CH2 3.89Å; I59-W110 HydrophobicContact CG1-CZ3 4.07Å; I59-C115 HydrophobicContact CD1-CB 4.13Å; I59-C115 HydrophobicContact CG1-CB 4.19Å; I59-V120 HydrophobicContact CB-CG2 4.13Å; I59-V120 HydrophobicContact CD1-CG2 4.03Å; I59-V120 HydrophobicContact CG2-CG2 4.03Å |
| 60 | T | 74.9 | Confident | 72.3 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | A56 R57 W58 G62 N63 C64 | A56-T60 WeakPolarHBondContact O-CB 3.29Å; A56-T60 PolarHBondContact O-N 3.49Å; A56-T60 PolarHBondContact O-OG1 3.21Å; R57-T60 PolarHBondContact O-N 3.48Å; W58-T60 VanDerWaalsContact C-N 3.28Å; W58-T60 PolarHBondContact O-N 3.32Å; T60-G62 VanDerWaalsContact C-N 3.29Å; T60-G62 PolarHBondContact O-N 2.9Å; T60-N63 PolarHBondContact O-N 2.87Å; T60-C64 WeakPolarHBondContact O-CB 2.96Å; T60-C64 PolarHBondContact O-N 2.86Å |
| 61 | V | 76.3 | Confident | 72.6 | Confident | 67 Ų | 67 | 67 Ų | 67 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175 | 169.1 | 0 | 0 | 0 | 0 | 109.7 | R57 W58 C64 L65 | R57-V61 HydrophobicContact CG-CG2 4.48Å; R57-V61 WeakPolarHBondContact O-CB 3.46Å; R57-V61 VanDerWaalsContact O-CG2 3.27Å; R57-V61 WeakPolarHBondContact O-CG2 3.05Å; R57-V61 PolarHBondContact O-N 2.93Å; W58-V61 PolarHBondContact O-N 3.33Å; V61-C64 WeakPolarHBondContact O-CB 3.33Å; V61-C64 PolarHBondContact O-N 3.41Å; V61-L65 HydrophobicContact CG1-CD1 4.15Å; V61-L65 HydrophobicContact CG1-CG 4.44Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 2.94Å |
| 62 | G | 70.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.4 | -56.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W58 I59 T60 C64 L65 H66 Y106 | W58-G62 PolarHBondContact O-N 3.29Å; I59-G62 PolarHBondContact O-N 3.31Å; T60-G62 VanDerWaalsContact C-N 3.29Å; T60-G62 PolarHBondContact O-N 2.9Å; G62-C64 PolarHBondContact O-N 3.16Å; G62-L65 WeakPolarHBondContact O-CB 3.19Å; G62-L65 PolarHBondContact O-N 3.42Å; G62-H66 PolarHBondContact O-N 2.86Å; G62-Y106 VanDerWaalsContact O-CD2 3.29Å; G62-Y106 WeakPolarHBondContact O-CD2 3.33Å; G62-Y106 WeakPolarHBondContact O-CE2 3.46Å |
| 63 | N | 73.6 | Confident | 72.1 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.3 | -36.7 | 179.3 | -77.1 | -34.8 | 0 | 0 | 0 | 113.3 | I59 T60 K67 | I59-N63 PolarHBondContact O-N 2.88Å; I59-N63 PolarHBondContact O-ND2 3.11Å; T60-N63 PolarHBondContact O-N 2.87Å; N63-K67 WeakPolarHBondContact O-CG 3.4Å; N63-K67 PolarHBondContact O-N 2.86Å; N63-K67 VanDerWaalsContact O-N 3.13Å |
| 64 | C | 71.9 | Confident | 71.6 | Confident | 72 Ų | 72 | 67.2 Ų | 67.2 | 49% | 0.486 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 173.7 | -172.5 | 0 | 0 | 0 | 0 | 111 | T60 V61 G62 H66 K67 T68 | T60-C64 WeakPolarHBondContact O-CB 2.96Å; T60-C64 PolarHBondContact O-N 2.86Å; V61-C64 WeakPolarHBondContact O-CB 3.33Å; V61-C64 PolarHBondContact O-N 3.41Å; G62-C64 PolarHBondContact O-N 3.16Å; C64-H66 VanDerWaalsContact C-N 3.31Å; C64-H66 PolarHBondContact O-N 3.4Å; C64-K67 PolarHBondContact O-N 3.22Å; C64-T68 VanDerWaalsContact O-CG2 3.31Å; C64-T68 WeakPolarHBondContact O-CG2 3.45Å; C64-T68 PolarHBondContact O-N 3.13Å; C64-T68 PolarHBondContact O-OG1 3.23Å |
| 65 | L | 69.6 | Low | 71.2 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 177.7 | -67.7 | 176.2 | 0 | 0 | 0 | 112.5 | V61 G62 T68 A69 Y106 | V61-L65 HydrophobicContact CG1-CD1 4.15Å; V61-L65 HydrophobicContact CG1-CG 4.44Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.45Å; V61-L65 PolarHBondContact O-N 2.94Å; G62-L65 WeakPolarHBondContact O-CB 3.19Å; G62-L65 PolarHBondContact O-N 3.42Å; L65-T68 WeakPolarHBondContact CA-OG1 3.38Å; L65-T68 PolarHBondContact O-OG1 3.3Å; L65-T68 VanDerWaalsContact O-OG1 3.05Å; L65-A69 WeakPolarHBondContact O-CB 3.27Å; L65-A69 PolarHBondContact O-N 3.15Å; L65-Y106 HydrophobicContact CB-CD2 3.84Å; L65-Y106 HydrophobicContact CB-CG 4.24Å |
| 66 | H | 71.6 | Confident | 70.6 | Confident | 87 Ų | 87 | 65.5 Ų | 65.5 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.2 | -51.8 | 174.6 | -168.1 | 60.6 | 0 | 0 | 0 | 112 | G62 C64 T68 A69 V70 Y106 | G62-H66 PolarHBondContact O-N 2.86Å; C64-H66 VanDerWaalsContact C-N 3.31Å; C64-H66 PolarHBondContact O-N 3.4Å; H66-T68 VanDerWaalsContact C-N 3.34Å; H66-T68 PolarHBondContact O-N 3.35Å; H66-A69 PolarHBondContact O-N 3.46Å; H66-V70 WeakPolarHBondContact O-CG2 3.48Å; H66-V70 PolarHBondContact O-N 3.05Å; H66-Y106 HydrophobicContact CB-CD1 3.87Å; H66-Y106 HydrophobicContact CB-CE1 3.35Å; H66-Y106 HydrophobicContact CB-CE2 4.29Å; H66-Y106 HydrophobicContact CB-CG 4.49Å; H66-Y106 AromaticContact CG-CE1 3.52Å; H66-Y106 AromaticContact ND1-CD1 3.62Å; H66-Y106 AromaticContact ND1-CE1 3.26Å; H66-Y106 VanDerWaalsContact ND1-CE1 3.26Å; H66-Y106 WeakPolarHBondContact ND1-CE1 3.43Å |
| 67 | K | 72.4 | Confident | 70.2 | Confident | 140 Ų | 140 | 72 Ų | 72 | 61% | 0.609 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63 | -42 | -178.7 | -74 | 175 | -175.6 | -73.5 | 0 | 110.9 | N63 C64 V70 L71 | N63-K67 WeakPolarHBondContact O-CG 3.4Å; N63-K67 PolarHBondContact O-N 2.86Å; N63-K67 VanDerWaalsContact O-N 3.13Å; C64-K67 PolarHBondContact O-N 3.22Å; K67-V70 PolarHBondContact O-N 3.01Å; K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 WeakPolarHBondContact O-CG 3.29Å; K67-L71 PolarHBondContact O-N 2.95Å |
| 68 | T | 69.7 | Low | 69.4 | Low | 64 Ų | 64 | 72.1 Ų | 72.1 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 177.7 | 59.9 | 0 | 0 | 0 | 0 | 112 | C64 L65 H66 L71 A72 | C64-T68 VanDerWaalsContact O-CG2 3.31Å; C64-T68 WeakPolarHBondContact O-CG2 3.45Å; C64-T68 PolarHBondContact O-N 3.13Å; C64-T68 PolarHBondContact O-OG1 3.23Å; L65-T68 WeakPolarHBondContact CA-OG1 3.38Å; L65-T68 PolarHBondContact O-OG1 3.3Å; L65-T68 VanDerWaalsContact O-OG1 3.05Å; H66-T68 VanDerWaalsContact C-N 3.34Å; H66-T68 PolarHBondContact O-N 3.35Å; T68-L71 PolarHBondContact O-N 3.36Å; T68-A72 WeakPolarHBondContact O-CB 3.45Å; T68-A72 PolarHBondContact O-N 3.28Å |
| 69 | A | 69.2 | Low | 68.6 | Low | 7 Ų | 7 | 67.6 Ų | 67.6 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L65 H66 G73 C103 | L65-A69 WeakPolarHBondContact O-CB 3.27Å; L65-A69 PolarHBondContact O-N 3.15Å; H66-A69 PolarHBondContact O-N 3.46Å; A69-G73 PolarHBondContact O-N 3.3Å; A69-C103 HydrophobicContact CB-CB 3.73Å |
| 70 | V | 72.1 | Confident | 67.5 | Low | 73 Ų | 73 | 70.3 Ų | 70.3 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 175.7 | 172.4 | 0 | 0 | 0 | 0 | 111 | H66 K67 T74 | H66-V70 WeakPolarHBondContact O-CG2 3.48Å; H66-V70 PolarHBondContact O-N 3.05Å; K67-V70 PolarHBondContact O-N 3.01Å; V70-T74 WeakPolarHBondContact O-CB 3.21Å; V70-T74 VanDerWaalsContact O-CG2 3.26Å; V70-T74 WeakPolarHBondContact O-CG2 3.41Å; V70-T74 PolarHBondContact O-N 2.74Å; V70-T74 PolarHBondContact O-OG1 2.76Å |
| 71 | L | 71.7 | Confident | 66.6 | Low | 114 Ų | 114 | 73.6 Ų | 73.6 | 60% | 0.597 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 177.5 | -72.6 | 171.9 | 0 | 0 | 0 | 112.4 | K67 T68 T74 A75 | K67-L71 WeakPolarHBondContact O-CB 3.4Å; K67-L71 WeakPolarHBondContact O-CG 3.29Å; K67-L71 PolarHBondContact O-N 2.95Å; T68-L71 PolarHBondContact O-N 3.36Å; L71-T74 WeakPolarHBondContact CA-OG1 3.41Å; L71-T74 PolarHBondContact O-OG1 2.93Å; L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 3.2Å |
| 72 | A | 65.7 | Low | 65.5 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 36% | 0.355 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T68 A75 C76 S99 | T68-A72 WeakPolarHBondContact O-CB 3.45Å; T68-A72 PolarHBondContact O-N 3.28Å; A72-A75 PolarHBondContact O-N 2.88Å; A72-C76 WeakPolarHBondContact O-CB 3.31Å; A72-C76 PolarHBondContact O-N 3.41Å; A72-S99 VanDerWaalsContact CB-OG 3.24Å; A72-S99 WeakPolarHBondContact CB-OG 2.84Å |
| 73 | G | 62.7 | Low | 64.4 | Low | 29 Ų | 29 | 79.7 Ų | 79.7 | 30% | 0.299 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A69 C76 L77 | A69-G73 PolarHBondContact O-N 3.3Å; G73-C76 PolarHBondContact O-N 2.97Å; G73-L77 WeakPolarHBondContact O-CG 3.24Å; G73-L77 PolarHBondContact O-N 2.85Å; G73-L77 VanDerWaalsContact O-N 3.11Å |
| 74 | T | 65.6 | Low | 63.3 | Low | 70 Ų | 70 | 81.6 Ų | 81.6 | 43% | 0.429 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 176.2 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | V70 L71 C76 L77 F78 | V70-T74 WeakPolarHBondContact O-CB 3.21Å; V70-T74 VanDerWaalsContact O-CG2 3.26Å; V70-T74 WeakPolarHBondContact O-CG2 3.41Å; V70-T74 PolarHBondContact O-N 2.74Å; V70-T74 PolarHBondContact O-OG1 2.76Å; L71-T74 WeakPolarHBondContact CA-OG1 3.41Å; L71-T74 PolarHBondContact O-OG1 2.93Å; T74-C76 PolarHBondContact O-N 3.3Å; T74-L77 PolarHBondContact O-N 3.21Å; T74-F78 PolarHBondContact O-N 3.31Å |
| 75 | A | 66.1 | Low | 62.4 | Low | 50 Ų | 50 | 83.4 Ų | 83.4 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L71 A72 L77 F78 T79 | L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 3.2Å; A72-A75 PolarHBondContact O-N 2.88Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 2.93Å; A75-F78 PolarHBondContact O-N 3.36Å; A75-T79 WeakPolarHBondContact O-CB 3.21Å; A75-T79 PolarHBondContact O-N 2.89Å; A75-T79 PolarHBondContact O-OG1 2.9Å |
| 76 | C | 61.2 | Low | 61.7 | Low | 48 Ų | 48 | 87.8 Ų | 87.8 | 32% | 0.324 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -33.3 | 178.1 | -167 | 0 | 0 | 0 | 0 | 112.9 | A72 G73 T74 P80 | A72-C76 WeakPolarHBondContact O-CB 3.31Å; A72-C76 PolarHBondContact O-N 3.41Å; G73-C76 PolarHBondContact O-N 2.97Å; T74-C76 PolarHBondContact O-N 3.3Å; C76-P80 WeakPolarHBondContact O-CD 3.21Å |
| 77 | L | 62.8 | Low | 60.7 | Low | 140 Ų | 140 | 92.8 Ų | 92.8 | 73% | 0.733 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.3 | -32.9 | 174 | -71.8 | 173.3 | 0 | 0 | 0 | 112.6 | G73 T74 A75 | G73-L77 WeakPolarHBondContact O-CG 3.24Å; G73-L77 PolarHBondContact O-N 2.85Å; G73-L77 VanDerWaalsContact O-N 3.11Å; T74-L77 PolarHBondContact O-N 3.21Å; A75-L77 VanDerWaalsContact C-N 3.33Å; A75-L77 PolarHBondContact O-N 2.93Å |
| 78 | F | 62.4 | Low | 59.7 | Low | 146 Ų | 146 | 87 Ų | 87 | 64% | 0.64 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -82.4 | -27.3 | 178.2 | -105.5 | -91.2 | 0 | 0 | 0 | 114.1 | T74 A75 L81 A82 | T74-F78 PolarHBondContact O-N 3.31Å; A75-F78 PolarHBondContact O-N 3.36Å; F78-L81 WeakPolarHBondContact O-CB 3.35Å; F78-L81 PolarHBondContact O-N 3.49Å; F78-L81 VanDerWaalsContact O-N 3.1Å; F78-A82 PolarHBondContact O-N 3.39Å |
| 79 | T | 55 | Low | 58.9 | Low | 51 Ų | 51 | 89.2 Ų | 89.2 | 31% | 0.313 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | A75 L81 A82 L83 | A75-T79 WeakPolarHBondContact O-CB 3.21Å; A75-T79 PolarHBondContact O-N 2.89Å; A75-T79 PolarHBondContact O-OG1 2.9Å; T79-L81 PolarHBondContact O-N 2.91Å; T79-A82 PolarHBondContact O-N 2.69Å; T79-L83 HydrophobicContact CG2-CD1 4.34Å; T79-L83 PolarHBondContact O-N 3.38Å |
| 80 | P | 52.7 | Low | 58.3 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 47% | 0.468 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.4 | -12.2 | 177.3 | 26.4 | -33.6 | 0 | 0 | 0 | 113.5 | C76 | C76-P80 WeakPolarHBondContact O-CD 3.21Å |
| 81 | L | 56.2 | Low | 57.5 | Low | 153 Ų | 153 | 100.4 Ų | 100.4 | 80% | 0.801 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -87.2 | -17.2 | 177 | -145.4 | 77.1 | 0 | 0 | 0 | 112.9 | F78 T79 | F78-L81 WeakPolarHBondContact O-CB 3.35Å; F78-L81 PolarHBondContact O-N 3.49Å; F78-L81 VanDerWaalsContact O-N 3.1Å; T79-L81 PolarHBondContact O-N 2.91Å |
| 82 | A | 52.9 | Low | 56.9 | Low | 83 Ų | 83 | 96.5 Ų | 96.5 | 69% | 0.686 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -116.8 | -13.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | F78 T79 | F78-A82 PolarHBondContact O-N 3.39Å; T79-A82 PolarHBondContact O-N 2.69Å |
| 83 | L | 46.8 | Very low | 56.8 | Low | 111 Ų | 111 | 99.8 Ų | 99.8 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -130.7 | 147.8 | -173.6 | -85.8 | 151.9 | 0 | 0 | 0 | 113.7 | T79 | T79-L83 HydrophobicContact CG2-CD1 4.34Å; T79-L83 PolarHBondContact O-N 3.38Å |
| 84 | P | 50.9 | Low | 56.8 | Low | 101 Ų | 101 | 102 Ų | 102 | 66% | 0.656 | 55% | 0.548 | S | S | * | . | trans | -63.3 | 140.2 | 176.4 | -12.9 | 26.6 | 0 | 0 | 0 | 112.2 | D86 | P84-D86 VanDerWaalsContact C-N 3.28Å; P84-D86 PolarHBondContact O-N 2.75Å | ||
| 85 | L | 53.1 | Low | 56.6 | Low | 110 Ų | 110 | 101.2 Ų | 101.2 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.7 | -17.4 | -167.1 | -71.6 | 165.2 | 0 | 0 | 0 | 115.7 | Y87 | L85-Y87 PolarHBondContact O-N 3.44Å |
| 86 | D | 54.9 | Low | 56.5 | Low | 151 Ų | 151 | 99.6 Ų | 99.6 | 81% | 0.807 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.2 | -19.7 | -165.8 | -64.5 | -55.6 | 0 | 0 | 0 | 115.3 | P84 | P84-D86 VanDerWaalsContact C-N 3.28Å; P84-D86 PolarHBondContact O-N 2.75Å |
| 87 | Y | 51.7 | Low | 56.9 | Low | 192 Ų | 192 | 101.8 Ų | 101.8 | 75% | 0.753 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -114.9 | -11.4 | 176 | -113.6 | -95.1 | 0 | 0 | 0 | 113.7 | L85 | L85-Y87 PolarHBondContact O-N 3.44Å |
| 88 | S | 50 | Low | 57.3 | Low | 19 Ų | 19 | 101 Ų | 101 | 13% | 0.133 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -71.3 | -35.1 | -170.5 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | Y90 I91 S92 | S88-Y90 PolarHBondContact O-N 3.44Å; S88-I91 PolarHBondContact O-N 3.35Å; S88-S92 WeakPolarHBondContact O-CB 3.34Å; S88-S92 PolarHBondContact O-N 3.39Å; S88-S92 PolarHBondContact O-OG 2.78Å |
| 89 | H | 54.3 | Low | 57.4 | Low | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.3 | -33 | -174.6 | -81.3 | -75.3 | 0 | 0 | 0 | 114.6 | I91 | H89-I91 VanDerWaalsContact C-N 3.34Å; H89-I91 PolarHBondContact O-N 2.82Å |
| 90 | Y | 54.7 | Low | 58 | Low | 202 Ų | 202 | 98 Ų | 98 | 79% | 0.792 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.5 | -23.9 | -178.3 | -80.7 | -80.2 | 0 | 0 | 0 | 113.6 | S88 P94 | S88-Y90 PolarHBondContact O-N 3.44Å; Y90-P94 WeakPolarHBondContact O-CD 3.24Å; Y90-P94 WeakPolarHBondContact O-CG 3.15Å |
| 91 | I | 56.4 | Low | 58.8 | Low | 113 Ų | 113 | 96.6 Ų | 96.6 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -106 | -37.4 | -176.3 | -54.9 | 177.8 | 0 | 0 | 0 | 110.8 | S88 H89 P94 A95 | S88-I91 PolarHBondContact O-N 3.35Å; H89-I91 VanDerWaalsContact C-N 3.34Å; H89-I91 PolarHBondContact O-N 2.82Å; I91-P94 WeakPolarHBondContact O-CD 3.36Å; I91-A95 WeakPolarHBondContact O-CB 3.21Å; I91-A95 PolarHBondContact O-N 2.62Å |
| 92 | S | 58.7 | Low | 59.2 | Low | 32 Ų | 32 | 91.2 Ų | 91.2 | 22% | 0.224 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -71.4 | -34.9 | -177.9 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | S88 G96 | S88-S92 WeakPolarHBondContact O-CB 3.34Å; S88-S92 PolarHBondContact O-N 3.39Å; S88-S92 PolarHBondContact O-OG 2.78Å; S92-G96 WeakPolarHBondContact O-CA 3.26Å; S92-G96 PolarHBondContact O-N 2.97Å |
| 93 | L | 63.5 | Low | 59.9 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.1 | -55.4 | 178.4 | -89.1 | 165.8 | 0 | 0 | 0 | 112.7 | A95 G96 V97 | L93-A95 PolarHBondContact O-N 2.88Å; L93-G96 PolarHBondContact O-N 3.35Å; L93-V97 WeakPolarHBondContact O-CB 3.2Å; L93-V97 VanDerWaalsContact O-CG2 3.26Å; L93-V97 WeakPolarHBondContact O-CG2 2.79Å; L93-V97 PolarHBondContact O-N 2.84Å |
| 94 | P | 63.8 | Low | 61 | Low | 76 Ų | 76 | 87.9 Ų | 87.9 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68 | -34.5 | 178.1 | 23.7 | -31.2 | 0 | 0 | 0 | 112.5 | Y90 I91 L98 | Y90-P94 WeakPolarHBondContact O-CD 3.24Å; Y90-P94 WeakPolarHBondContact O-CG 3.15Å; I91-P94 WeakPolarHBondContact O-CD 3.36Å; P94-L98 VanDerWaalsContact O-CB 3.22Å; P94-L98 WeakPolarHBondContact O-CB 3.29Å; P94-L98 PolarHBondContact O-N 3.22Å |
| 95 | A | 61.1 | Low | 61.8 | Low | 54 Ų | 54 | 88.3 Ų | 88.3 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I91 L93 S99 | I91-A95 WeakPolarHBondContact O-CB 3.21Å; I91-A95 PolarHBondContact O-N 2.62Å; L93-A95 PolarHBondContact O-N 2.88Å; A95-S99 VanDerWaalsContact O-CB 3.31Å; A95-S99 WeakPolarHBondContact O-CB 3.39Å; A95-S99 PolarHBondContact O-N 3.48Å |
| 96 | G | 63.9 | Low | 62.4 | Low | 15 Ų | 15 | 84.4 Ų | 84.4 | 16% | 0.155 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S92 L93 S99 L100 | S92-G96 WeakPolarHBondContact O-CA 3.26Å; S92-G96 PolarHBondContact O-N 2.97Å; L93-G96 PolarHBondContact O-N 3.35Å; G96-S99 PolarHBondContact O-N 3.42Å; G96-L100 WeakPolarHBondContact O-CB 3.25Å; G96-L100 PolarHBondContact O-N 3.3Å |
| 97 | V | 69.3 | Low | 63 | Low | 94 Ų | 94 | 78.3 Ų | 78.3 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L93 L100 A101 | L93-V97 WeakPolarHBondContact O-CB 3.2Å; L93-V97 VanDerWaalsContact O-CG2 3.26Å; L93-V97 WeakPolarHBondContact O-CG2 2.79Å; L93-V97 PolarHBondContact O-N 2.84Å; V97-L100 PolarHBondContact O-N 3.06Å; V97-A101 VanDerWaalsContact O-CB 3.23Å; V97-A101 WeakPolarHBondContact O-CB 3.12Å; V97-A101 PolarHBondContact O-N 2.96Å |
| 98 | L | 70.2 | Confident | 63.7 | Low | 124 Ų | 124 | 73.8 Ų | 73.8 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 176.2 | -174.1 | 65.6 | 0 | 0 | 0 | 111.7 | P94 A101 C102 | P94-L98 VanDerWaalsContact O-CB 3.22Å; P94-L98 WeakPolarHBondContact O-CB 3.29Å; P94-L98 PolarHBondContact O-N 3.22Å; L98-A101 PolarHBondContact O-N 3.11Å; L98-C102 WeakPolarHBondContact O-CB 3.41Å; L98-C102 PolarHBondContact O-N 2.87Å |
| 99 | S | 66.3 | Low | 64.6 | Low | 17 Ų | 17 | 76.4 Ų | 76.4 | 12% | 0.119 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | A72 A95 G96 C102 C103 | A72-S99 VanDerWaalsContact CB-OG 3.24Å; A72-S99 WeakPolarHBondContact CB-OG 2.84Å; A95-S99 VanDerWaalsContact O-CB 3.31Å; A95-S99 WeakPolarHBondContact O-CB 3.39Å; A95-S99 PolarHBondContact O-N 3.48Å; G96-S99 PolarHBondContact O-N 3.42Å; S99-C102 PolarHBondContact O-N 3.46Å; S99-C103 WeakPolarHBondContact O-CB 3.21Å; S99-C103 PolarHBondContact O-N 2.8Å |
| 100 | L | 66 | Low | 65.1 | Low | 116 Ų | 116 | 72.9 Ų | 72.9 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.3 | -40.2 | 175.1 | -80.6 | 166.3 | 0 | 0 | 0 | 111.5 | G96 V97 C102 C103 T104 | G96-L100 WeakPolarHBondContact O-CB 3.25Å; G96-L100 PolarHBondContact O-N 3.3Å; V97-L100 PolarHBondContact O-N 3.06Å; L100-C102 VanDerWaalsContact C-N 3.34Å; L100-C103 PolarHBondContact O-N 3.48Å; L100-T104 VanDerWaalsContact O-CB 3.22Å; L100-T104 WeakPolarHBondContact O-CB 3.35Å; L100-T104 PolarHBondContact O-N 2.82Å; L100-T104 PolarHBondContact O-OG1 2.75Å |
| 101 | A | 70.8 | Confident | 65.7 | Low | 43 Ų | 43 | 70.1 Ų | 70.1 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V97 L98 T104 L105 | V97-A101 VanDerWaalsContact O-CB 3.23Å; V97-A101 WeakPolarHBondContact O-CB 3.12Å; V97-A101 PolarHBondContact O-N 2.96Å; L98-A101 PolarHBondContact O-N 3.11Å; A101-T104 PolarHBondContact O-N 3.38Å; A101-L105 VanDerWaalsContact O-CB 3.25Å; A101-L105 WeakPolarHBondContact O-CB 3.5Å; A101-L105 WeakPolarHBondContact O-CG 3.26Å; A101-L105 PolarHBondContact O-N 3.36Å |
| 102 | C | 64.2 | Low | 65.8 | Low | 40 Ų | 40 | 72.4 Ų | 72.4 | 27% | 0.27 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 176.5 | -164.7 | 0 | 0 | 0 | 0 | 111.9 | L98 S99 L100 Y106 | L98-C102 WeakPolarHBondContact O-CB 3.41Å; L98-C102 PolarHBondContact O-N 2.87Å; S99-C102 PolarHBondContact O-N 3.46Å; L100-C102 VanDerWaalsContact C-N 3.34Å; C102-Y106 WeakPolarHBondContact O-CB 3.31Å; C102-Y106 PolarHBondContact O-N 2.74Å |
| 103 | C | 66.6 | Low | 66.4 | Low | 50 Ų | 50 | 73.5 Ų | 73.5 | 34% | 0.338 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 173.8 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | A69 S99 L100 G107 | A69-C103 HydrophobicContact CB-CB 3.73Å; S99-C103 WeakPolarHBondContact O-CB 3.21Å; S99-C103 PolarHBondContact O-N 2.8Å; L100-C103 PolarHBondContact O-N 3.48Å; C103-G107 WeakPolarHBondContact O-CA 3.19Å; C103-G107 PolarHBondContact O-N 2.88Å |
| 104 | T | 70.1 | Confident | 66.6 | Low | 75 Ų | 75 | 70.9 Ų | 70.9 | 46% | 0.46 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -74.6 | -39.1 | -180 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | L100 A101 G107 I108 | L100-T104 VanDerWaalsContact O-CB 3.22Å; L100-T104 WeakPolarHBondContact O-CB 3.35Å; L100-T104 PolarHBondContact O-N 2.82Å; L100-T104 PolarHBondContact O-OG1 2.75Å; A101-T104 PolarHBondContact O-N 3.38Å; T104-G107 CarbonylContact O-C 3.57Å; T104-G107 PolarHBondContact O-N 3.5Å; T104-I108 HydrophobicContact CG2-CD1 3.72Å; T104-I108 HydrophobicContact CG2-CG1 4.29Å; T104-I108 WeakPolarHBondContact O-CB 3.23Å; T104-I108 VanDerWaalsContact O-CG1 3.22Å; T104-I108 WeakPolarHBondContact O-CG1 3.22Å; T104-I108 PolarHBondContact O-N 3.36Å |
| 105 | L | 68.8 | Low | 66.9 | Low | 110 Ų | 110 | 68 Ų | 68 | 58% | 0.576 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.5 | -46.9 | 173.6 | -75 | 170.5 | 0 | 0 | 0 | 110.7 | A101 G107 I108 S109 | A101-L105 VanDerWaalsContact O-CB 3.25Å; A101-L105 WeakPolarHBondContact O-CB 3.5Å; A101-L105 WeakPolarHBondContact O-CG 3.26Å; A101-L105 PolarHBondContact O-N 3.36Å; L105-G107 VanDerWaalsContact C-N 3.31Å; L105-G107 PolarHBondContact O-N 3.19Å; L105-I108 PolarHBondContact O-N 2.79Å; L105-S109 WeakPolarHBondContact O-CB 3.2Å; L105-S109 PolarHBondContact O-N 3.42Å; L105-S109 PolarHBondContact O-OG 2.86Å |
| 106 | Y | 66 | Low | 67.2 | Low | 27 Ų | 27 | 67.3 Ų | 67.3 | 11% | 0.106 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 171.4 | 177.7 | -98.8 | 0 | 0 | 0 | 110.4 | G62 L65 H66 C102 I108 S109 W110 | G62-Y106 VanDerWaalsContact O-CD2 3.29Å; G62-Y106 WeakPolarHBondContact O-CD2 3.33Å; G62-Y106 WeakPolarHBondContact O-CE2 3.46Å; L65-Y106 HydrophobicContact CB-CD2 3.84Å; L65-Y106 HydrophobicContact CB-CG 4.24Å; H66-Y106 HydrophobicContact CB-CD1 3.87Å; H66-Y106 HydrophobicContact CB-CE1 3.35Å; H66-Y106 HydrophobicContact CB-CE2 4.29Å; H66-Y106 HydrophobicContact CB-CG 4.49Å; H66-Y106 AromaticContact CG-CE1 3.52Å; H66-Y106 AromaticContact ND1-CD1 3.62Å; H66-Y106 AromaticContact ND1-CE1 3.26Å; H66-Y106 VanDerWaalsContact ND1-CE1 3.26Å; H66-Y106 WeakPolarHBondContact ND1-CE1 3.43Å; C102-Y106 WeakPolarHBondContact O-CB 3.31Å; C102-Y106 PolarHBondContact O-N 2.74Å; Y106-I108 PolarHBondContact O-N 3.34Å; Y106-S109 PolarHBondContact O-N 2.9Å; Y106-W110 HydrophobicContact CD2-CB 4.34Å; Y106-W110 AromaticContact CD2-CD1 3.28Å; Y106-W110 HydrophobicContact CD2-CG 4.03Å; Y106-W110 AromaticContact CD2-NE1 3.91Å; Y106-W110 HydrophobicContact CE1-CB 4.47Å; Y106-W110 HydrophobicContact CE2-CB 3.86Å; Y106-W110 AromaticContact CE2-CD1 3.17Å; Y106-W110 HydrophobicContact CE2-CD2 4.36Å; Y106-W110 AromaticContact CE2-CG 3.54Å; Y106-W110 HydrophobicContact CE2-CG 3.54Å; Y106-W110 AromaticContact CE2-NE1 3.74Å; Y106-W110 VanDerWaalsContact O-CB 3.24Å; Y106-W110 WeakPolarHBondContact O-CB 3.22Å; Y106-W110 PolarHBondContact O-N 3.33Å |
| 107 | G | 67.3 | Low | 67.6 | Low | 24 Ų | 24 | 74.5 Ų | 74.5 | 25% | 0.247 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -51.5 | -56.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C103 T104 L105 W110 Q111 | C103-G107 WeakPolarHBondContact O-CA 3.19Å; C103-G107 PolarHBondContact O-N 2.88Å; T104-G107 CarbonylContact O-C 3.57Å; T104-G107 PolarHBondContact O-N 3.5Å; L105-G107 VanDerWaalsContact C-N 3.31Å; L105-G107 PolarHBondContact O-N 3.19Å; G107-W110 PolarHBondContact O-N 2.79Å; G107-Q111 VanDerWaalsContact O-CA 3.29Å; G107-Q111 WeakPolarHBondContact O-CA 3.16Å; G107-Q111 WeakPolarHBondContact O-CB 3.22Å; G107-Q111 PolarHBondContact O-N 2.82Å |
| 108 | I | 66.2 | Low | 67.6 | Low | 96 Ų | 96 | 72.5 Ų | 72.5 | 49% | 0.492 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.8 | -42.4 | -177.3 | -65.8 | 167.2 | 0 | 0 | 0 | 111.7 | T104 L105 Y106 W110 | T104-I108 HydrophobicContact CG2-CD1 3.72Å; T104-I108 HydrophobicContact CG2-CG1 4.29Å; T104-I108 WeakPolarHBondContact O-CB 3.23Å; T104-I108 VanDerWaalsContact O-CG1 3.22Å; T104-I108 WeakPolarHBondContact O-CG1 3.22Å; T104-I108 PolarHBondContact O-N 3.36Å; L105-I108 PolarHBondContact O-N 2.79Å; Y106-I108 PolarHBondContact O-N 3.34Å; I108-W110 VanDerWaalsContact C-N 3.28Å; I108-W110 PolarHBondContact O-N 2.63Å |
| 109 | S | 68.5 | Low | 67.8 | Low | 75 Ų | 75 | 73.7 Ų | 73.7 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.3 | -29.5 | -178.8 | -67.1 | 0 | 0 | 0 | 0 | 113 | L105 Y106 | L105-S109 WeakPolarHBondContact O-CB 3.2Å; L105-S109 PolarHBondContact O-N 3.42Å; L105-S109 PolarHBondContact O-OG 2.86Å; Y106-S109 PolarHBondContact O-N 2.9Å |
| 110 | W | 65.4 | Low | 68.3 | Low | 36 Ų | 36 | 75 Ų | 75 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -117.1 | -13.9 | -172.7 | -76 | 104.6 | 0 | 0 | 0 | 113 | W58 I59 Y106 G107 I108 F112 D113 C115 C116 | W58-W110 VanDerWaalsContact C-CH2 3.48Å; W58-W110 VanDerWaalsContact C-CZ2 3.42Å; W58-W110 HydrophobicContact CB-CH2 4.1Å; W58-W110 HydrophobicContact CB-CZ2 4.22Å; W58-W110 WeakPolarHBondContact O-CZ2 3.32Å; I59-W110 VanDerWaalsContact CA-CH2 3.5Å; I59-W110 HydrophobicContact CB-CH2 4.32Å; I59-W110 HydrophobicContact CG1-CH2 3.89Å; I59-W110 HydrophobicContact CG1-CZ3 4.07Å; Y106-W110 HydrophobicContact CD2-CB 4.34Å; Y106-W110 AromaticContact CD2-CD1 3.28Å; Y106-W110 HydrophobicContact CD2-CG 4.03Å; Y106-W110 AromaticContact CD2-NE1 3.91Å; Y106-W110 HydrophobicContact CE1-CB 4.47Å; Y106-W110 HydrophobicContact CE2-CB 3.86Å; Y106-W110 AromaticContact CE2-CD1 3.17Å; Y106-W110 HydrophobicContact CE2-CD2 4.36Å; Y106-W110 AromaticContact CE2-CG 3.54Å; Y106-W110 HydrophobicContact CE2-CG 3.54Å; Y106-W110 AromaticContact CE2-NE1 3.74Å; Y106-W110 VanDerWaalsContact O-CB 3.24Å; Y106-W110 WeakPolarHBondContact O-CB 3.22Å; Y106-W110 PolarHBondContact O-N 3.33Å; G107-W110 PolarHBondContact O-N 2.79Å; I108-W110 VanDerWaalsContact C-N 3.28Å; I108-W110 PolarHBondContact O-N 2.63Å; W110-F112 VanDerWaalsContact C-N 3.28Å; W110-F112 PolarHBondContact O-N 3.25Å; W110-D113 HydrophobicContact CE3-CB 3.81Å; W110-D113 HydrophobicContact CZ3-CB 4.43Å; W110-D113 PolarHBondContact O-N 3.49Å; W110-C115 HydrophobicContact CZ3-CB 4.12Å; W110-C116 VanDerWaalsContact C-SG 3.51Å; W110-C116 VanDerWaalsContact CA-SG 3.51Å; W110-C116 WeakPolarHBondContact CB-SG 3.39Å; W110-C116 VanDerWaalsContact CD2-SG 3.58Å; W110-C116 PolarHBondContact O-SG 3.45Å |
| 111 | Q | 65.9 | Low | 68.6 | Low | 144 Ų | 144 | 75.6 Ų | 75.6 | 67% | 0.673 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.7 | -32.4 | 175.2 | 175.1 | 173.7 | 14.5 | 0 | 0 | 112.4 | G107 | G107-Q111 VanDerWaalsContact O-CA 3.29Å; G107-Q111 WeakPolarHBondContact O-CA 3.16Å; G107-Q111 WeakPolarHBondContact O-CB 3.22Å; G107-Q111 PolarHBondContact O-N 2.82Å |
| 112 | F | 60.1 | Low | 68.5 | Low | 160 Ų | 160 | 80.8 Ų | 80.8 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -97.8 | -5.3 | 178.7 | -60.4 | -72.9 | 0 | 0 | 0 | 113.1 | W110 P114 | W110-F112 VanDerWaalsContact C-N 3.28Å; W110-F112 PolarHBondContact O-N 3.25Å; F112-P114 WeakPolarHBondContact O-CD 3.38Å |
| 113 | D | 71.6 | Confident | 68 | Low | 56 Ų | 56 | 84.4 Ų | 84.4 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | trans | -92.5 | 114.6 | 180 | -169.1 | -49.5 | 0 | 0 | 0 | 110 | W110 C115 C116 | W110-D113 HydrophobicContact CE3-CB 3.81Å; W110-D113 HydrophobicContact CZ3-CB 4.43Å; W110-D113 PolarHBondContact O-N 3.49Å; D113-C115 PolarHBondContact O-N 3.34Å; D113-C115 WeakPolarHBondContact OD1-CA 2.98Å; D113-C115 WeakPolarHBondContact OD1-CB 3.14Å; D113-C115 PolarHBondContact OD1-N 3.2Å; D113-C115 PolarHBondContact OD1-SG 2.67Å; D113-C116 PolarHBondContact O-N 3.49Å; D113-C116 PolarHBondContact O-SG 2.91Å | ||
| 114 | P | 66.9 | Low | 67.2 | Low | 57 Ų | 57 | 87.3 Ų | 87.3 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -61.5 | -23.6 | 179.3 | -20.6 | 33 | 0 | 0 | 0 | 113.5 | L37 F112 C116 K117 Y118 | L37-P114 HydrophobicContact CB-CB 3.87Å; L37-P114 HydrophobicContact CB-CG 4.27Å; L37-P114 HydrophobicContact CD1-CB 4.3Å; L37-P114 HydrophobicContact CD2-CB 4.04Å; L37-P114 HydrophobicContact CG-CB 4.27Å; F112-P114 WeakPolarHBondContact O-CD 3.38Å; P114-C116 PolarHBondContact O-N 3.49Å; P114-K117 PolarHBondContact O-N 2.8Å; P114-Y118 VanDerWaalsContact O-CD2 3.3Å; P114-Y118 WeakPolarHBondContact O-CD2 3.49Å; P114-Y118 VanDerWaalsContact O-CE2 3.32Å; P114-Y118 WeakPolarHBondContact O-CE2 3.47Å |
| 115 | C | 69.3 | Low | 65.9 | Low | 15 Ų | 15 | 96.4 Ų | 96.4 | 10% | 0.101 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -63.3 | -23.4 | -179.4 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | L37 I59 W110 D113 K117 Y118 | L37-C115 WeakPolarHBondContact CD1-SG 3.48Å; I59-C115 HydrophobicContact CD1-CB 4.13Å; I59-C115 HydrophobicContact CG1-CB 4.19Å; W110-C115 HydrophobicContact CZ3-CB 4.12Å; D113-C115 PolarHBondContact O-N 3.34Å; D113-C115 WeakPolarHBondContact OD1-CA 2.98Å; D113-C115 WeakPolarHBondContact OD1-CB 3.14Å; D113-C115 PolarHBondContact OD1-N 3.2Å; D113-C115 PolarHBondContact OD1-SG 2.67Å; C115-K117 PolarHBondContact O-N 3.1Å; C115-K117 VanDerWaalsContact O-N 3.09Å; C115-Y118 PolarHBondContact O-N 2.97Å |
| 116 | C | 67.8 | Low | 65.8 | Low | 39 Ų | 39 | 95.8 Ų | 95.8 | 26% | 0.264 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -56.7 | -26.5 | 177.5 | -67.6 | 0 | 0 | 0 | 0 | 115.5 | W110 D113 P114 | W110-C116 VanDerWaalsContact C-SG 3.51Å; W110-C116 VanDerWaalsContact CA-SG 3.51Å; W110-C116 WeakPolarHBondContact CB-SG 3.39Å; W110-C116 VanDerWaalsContact CD2-SG 3.58Å; W110-C116 PolarHBondContact O-SG 3.45Å; D113-C116 PolarHBondContact O-N 3.49Å; D113-C116 PolarHBondContact O-SG 2.91Å; P114-C116 PolarHBondContact O-N 3.49Å |
| 117 | K | 71.8 | Confident | 65.8 | Low | 166 Ų | 166 | 99.4 Ų | 99.4 | 72% | 0.722 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -80.9 | -10.9 | -177.5 | -62.1 | 178.9 | -175.6 | 171.4 | 0 | 111.7 | P114 C115 | P114-K117 PolarHBondContact O-N 2.8Å; C115-K117 PolarHBondContact O-N 3.1Å; C115-K117 VanDerWaalsContact O-N 3.09Å |
| 118 | Y | 70 | Confident | 65.7 | Low | 52 Ų | 52 | 103.6 Ų | 103.6 | 20% | 0.204 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -104 | 138.5 | -175.8 | -60 | -87 | 0 | 0 | 0 | 110.2 | L37 Y41 I44 P114 C115 | L37-Y118 HydrophobicContact CD2-CD2 3.87Å; L37-Y118 HydrophobicContact CD2-CE2 3.37Å; Y41-Y118 VanDerWaalsContact O-CE1 3.23Å; Y41-Y118 WeakPolarHBondContact O-CE1 3.26Å; Y41-Y118 PolarHBondContact O-OH 3.22Å; I44-Y118 HydrophobicContact CD1-CE1 4.35Å; P114-Y118 VanDerWaalsContact O-CD2 3.3Å; P114-Y118 WeakPolarHBondContact O-CD2 3.49Å; P114-Y118 VanDerWaalsContact O-CE2 3.32Å; P114-Y118 WeakPolarHBondContact O-CE2 3.47Å; C115-Y118 PolarHBondContact O-N 2.97Å |
| 119 | Q | 75.1 | Confident | 65.7 | Low | 149 Ų | 149 | 104 Ų | 104 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 133.8 | 172.2 | -178.7 | 170.5 | -36.5 | 0 | 0 | 107.9 | E121 | Q119-E121 PolarHBondContact NE2-OE1 3.18Å; Q119-E121 PolarHBondContact O-N 3.44Å |
| 120 | V | 75.2 | Confident | 65.5 | Low | 44 Ų | 44 | 105.8 Ų | 105.8 | 27% | 0.267 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 121.4 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | A56 I59 Y122 | A56-V120 HydrophobicContact CB-CB 4.29Å; A56-V120 HydrophobicContact CB-CG1 3.67Å; A56-V120 HydrophobicContact CB-CG2 3.72Å; I59-V120 HydrophobicContact CB-CG2 4.13Å; I59-V120 HydrophobicContact CD1-CG2 4.03Å; I59-V120 HydrophobicContact CG2-CG2 4.03Å; V120-Y122 HydrophobicContact CB-CE2 4.44Å; V120-Y122 HydrophobicContact CG1-CD2 3.79Å; V120-Y122 HydrophobicContact CG1-CE1 4.45Å; V120-Y122 HydrophobicContact CG1-CE2 3.3Å |
| 121 | E | 73.3 | Confident | 65.5 | Low | 129 Ų | 129 | 110.5 Ų | 110.5 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | trans | -119.8 | 120.2 | 175.5 | -67 | -65.1 | 158.7 | 0 | 0 | 108.4 | Q119 | Q119-E121 PolarHBondContact NE2-OE1 3.18Å; Q119-E121 PolarHBondContact O-N 3.44Å | ||
| 122 | Y | 68 | Low | 65.5 | Low | 153 Ų | 153 | 108.1 Ų | 108.1 | 60% | 0.6 | 53% | 0.529 | S | S | * | . | trans | -99.3 | -15.9 | 177.6 | -71 | -81.4 | 0 | 0 | 0 | 112.7 | D53 A56 V120 | D53-Y122 PolarHBondContact OD1-OH 3.36Å; A56-Y122 HydrophobicContact CB-CE2 4.48Å; A56-Y122 WeakPolarHBondContact CB-OH 3.42Å; V120-Y122 HydrophobicContact CB-CE2 4.44Å; V120-Y122 HydrophobicContact CG1-CD2 3.79Å; V120-Y122 HydrophobicContact CG1-CE1 4.45Å; V120-Y122 HydrophobicContact CG1-CE2 3.3Å | ||
| 123 | D | 54.5 | Low | 65.9 | Low | 116 Ų | 116 | 104.1 Ų | 104.1 | 62% | 0.62 | 52% | 0.516 | S | S | * | . | trans | -121.2 | 93.2 | -173.3 | -93.2 | -39.6 | 0 | 0 | 0 | 111.3 | Y125 | D123-Y125 HydrophobicContact CB-CD2 4.37Å; D123-Y125 WeakPolarHBondContact OD1-CD2 3.39Å; D123-Y125 WeakPolarHBondContact OD1-CE2 3.33Å | ||
| 124 | A | 50.4 | Low | 65.4 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 91% | 0.909 | 53% | 0.534 | S | S | * | . | trans | -99.2 | 77.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 125 | Y | 42.4 | Very low | 65.3 | Low | 267 Ų | 267 | 112.7 Ų | 112.7 | 100% | 1.047 | 55% | 0.548 | S | S | * | . | trans | -84.4 | 0 | 168.5 | -94.5 | -84.4 | 0 | 0 | 0 | 111.9 | D123 | D123-Y125 HydrophobicContact CB-CD2 4.37Å; D123-Y125 WeakPolarHBondContact OD1-CD2 3.39Å; D123-Y125 WeakPolarHBondContact OD1-CE2 3.33Å |
Retrieved 125 of 125 residues in 283.7 ms
(Link to these results)