| 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 | 45.6 | Very low | 67.5 | Low | 228 Ų | 228 | 173.5 Ų | 173.5 | 100% | 1.123 | 82% | 0.817 | S | S | * | * | 0 | 127.8 | 0 | -73.2 | -168.3 | 169.7 | 0 | 0 | 108.3 | |||||
| 2 | P | 54.3 | Low | 68.3 | Low | 127 Ų | 127 | 173.8 Ų | 173.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -74.9 | 128.7 | -179.2 | 30.2 | -30.3 | 0 | 0 | 0 | 109.5 | R4 | P2-R4 PolarHBondContact O-N 2.77Å; P2-R4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | H | 56.8 | Low | 68.9 | Low | 187 Ų | 187 | 176.8 Ų | 176.8 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -61 | 113.9 | 177 | -72.3 | -82.1 | 0 | 0 | 0 | 109.9 | K5 | H3-K5 PolarHBondContact O-N 3.43Å; H3-K5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | R | 61.6 | Low | 69.5 | Low | 245 Ų | 245 | 174.8 Ų | 174.8 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -61.7 | 111 | 170.4 | -79.4 | -178.1 | 169.5 | -172.1 | -3.1 | 108.3 | P2 K6 | P2-R4 PolarHBondContact O-N 2.77Å; P2-R4 VanDerWaalsContact O-N 3.13Å; R4-K6 PolarHBondContact O-N 3.04Å | ||
| 5 | K | 68.6 | Low | 70.1 | Confident | 202 Ų | 202 | 165.7 Ų | 165.7 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.2 | 169.6 | -66.6 | -176.2 | 179 | -178.8 | 0 | 107.9 | H3 K7 | H3-K5 PolarHBondContact O-N 3.43Å; H3-K5 VanDerWaalsContact O-N 3.07Å; K5-K7 PolarHBondContact O-N 2.95Å |
| 6 | K | 73.1 | Confident | 70.8 | Confident | 205 Ų | 205 | 158.1 Ų | 158.1 | 89% | 0.891 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 130.5 | 174.2 | -83.5 | -179.9 | 176 | 178 | 0 | 108.2 | R4 S8 | R4-K6 PolarHBondContact O-N 3.04Å; K6-S8 PolarHBondContact O-N 3.08Å |
| 7 | K | 71.8 | Confident | 71.5 | Confident | 206 Ų | 206 | 152.9 Ų | 152.9 | 90% | 0.896 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 129.2 | 171.1 | -67.3 | -177.8 | 177.9 | -176.4 | 0 | 107.9 | K5 F9 | K5-K7 PolarHBondContact O-N 2.95Å; K7-F9 PolarHBondContact O-N 3.08Å |
| 8 | S | 73.4 | Confident | 72.3 | Confident | 95 Ų | 95 | 147.1 Ų | 147.1 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.4 | 175.1 | 47.8 | 0 | 0 | 0 | 0 | 109 | K6 I10 | K6-S8 PolarHBondContact O-N 3.08Å; S8-I10 PolarHBondContact O-N 3.05Å |
| 9 | F | 76.4 | Confident | 73 | Confident | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.873 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -61.2 | -26.8 | -179.8 | 175.7 | -112.4 | 0 | 0 | 0 | 112.7 | K7 | K7-F9 PolarHBondContact O-N 3.08Š|
| 10 | I | 79.7 | Confident | 73.9 | Confident | 101 Ų | 101 | 144 Ų | 144 | 52% | 0.518 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -129.3 | 133.5 | -179.3 | -64 | 161.8 | 0 | 0 | 0 | 109.5 | S8 K12 A15 | S8-I10 PolarHBondContact O-N 3.05Å; I10-K12 PolarHBondContact O-N 2.95Å; I10-A15 HydrophobicContact CG2-CB 4.16Å |
| 11 | E | 80.9 | Confident | 74.6 | Confident | 113 Ų | 113 | 140.1 Ų | 140.1 | 53% | 0.528 | 67% | 0.67 | S | S | . | * | trans | -78.9 | 98.2 | 170.2 | -67.8 | -176.8 | -175.6 | 0 | 0 | 109.6 | K13 K14 A15 | E11-K13 PolarHBondContact O-N 2.75Å; E11-K14 HydrophobicContact CB-CB 4.4Å; E11-K14 PolarHBondContact O-N 3.16Å; E11-K14 WeakPolarHBondContact OE2-CD 3.32Å; E11-K14 WeakPolarHBondContact OE2-CE 3.43Å; E11-K14 IonicContact OE2-NZ 2.73Å; E11-K14 PolarHBondContact OE2-NZ 3.12Å; E11-A15 PolarHBondContact O-N 2.98Å | ||
| 12 | K | 77.1 | Confident | 76.7 | Confident | 178 Ų | 178 | 134.9 Ų | 134.9 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -23.5 | -177.8 | -65 | -174.1 | 177.7 | -173.2 | 0 | 114.6 | I10 | I10-K12 PolarHBondContact O-N 2.95Š|
| 13 | K | 76.9 | Confident | 78.2 | Confident | 213 Ų | 213 | 130.1 Ų | 130.1 | 93% | 0.926 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -23.4 | 178.4 | -64.9 | -170.5 | 176.1 | -170.1 | 0 | 113.6 | E11 | E11-K13 PolarHBondContact O-N 2.75Š|
| 14 | K | 77.1 | Confident | 79.6 | Confident | 148 Ų | 148 | 123.6 Ų | 123.6 | 64% | 0.643 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 1.3 | 176 | -62.6 | -173.7 | -173.5 | 149.1 | 0 | 112.8 | E11 | E11-K14 HydrophobicContact CB-CB 4.4Å; E11-K14 PolarHBondContact O-N 3.16Å; E11-K14 WeakPolarHBondContact OE2-CD 3.32Å; E11-K14 WeakPolarHBondContact OE2-CE 3.43Å; E11-K14 IonicContact OE2-NZ 2.73Å; E11-K14 PolarHBondContact OE2-NZ 3.12Å |
| 15 | A | 78 | Confident | 80.7 | Confident | 38 Ų | 38 | 117.1 Ų | 117.1 | 31% | 0.314 | 56% | 0.564 | S | S | . | * | trans | -83.4 | 124.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I10 E11 | I10-A15 HydrophobicContact CG2-CB 4.16Å; E11-A15 PolarHBondContact O-N 2.98Å | ||
| 16 | V | 81 | Confident | 81.5 | Confident | 45 Ų | 45 | 113.6 Ų | 113.6 | 27% | 0.273 | 55% | 0.545 | S | S | . | . | trans | -93.8 | 137.5 | 170.9 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | F18 A115 I117 | V16-F18 HydrophobicContact CB-CE2 4.02Å; V16-F18 HydrophobicContact CB-CZ 4.33Å; V16-F18 HydrophobicContact CG1-CD2 4.25Å; V16-F18 HydrophobicContact CG1-CE1 4.16Å; V16-F18 HydrophobicContact CG1-CE2 3.55Å; V16-F18 HydrophobicContact CG1-CZ 3.5Å; V16-F18 VanDerWaalsContact CG1-CZ 3.5Å; V16-A115 HydrophobicContact CG2-CB 3.88Å; V16-I117 HydrophobicContact CB-CD1 4.09Å; V16-I117 HydrophobicContact CG1-CD1 4.39Å; V16-I117 HydrophobicContact CG2-CD1 4.02Å | ||
| 17 | T | 83.3 | Confident | 82.1 | Confident | 70 Ų | 70 | 104.1 Ų | 104.1 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | trans | -109.3 | 137.4 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | A43 | T17-A43 HydrophobicContact CG2-CB 3.98Å; T17-A43 WeakPolarHBondContact O-CB 3.42Å; T17-A43 PolarHBondContact O-N 3Å | ||
| 18 | F | 85.9 | Confident | 82.7 | Confident | 48 Ų | 48 | 97.1 Ų | 97.1 | 21% | 0.211 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 144.5 | 175.7 | -63.5 | -85.7 | 0 | 0 | 0 | 110.2 | V16 L40 L41 P42 I117 F124 | V16-F18 HydrophobicContact CB-CE2 4.02Å; V16-F18 HydrophobicContact CB-CZ 4.33Å; V16-F18 HydrophobicContact CG1-CD2 4.25Å; V16-F18 HydrophobicContact CG1-CE1 4.16Å; V16-F18 HydrophobicContact CG1-CE2 3.55Å; V16-F18 HydrophobicContact CG1-CZ 3.5Å; V16-F18 VanDerWaalsContact CG1-CZ 3.5Å; F18-L40 HydrophobicContact CB-CB 4.03Å; F18-L40 HydrophobicContact CB-CD2 3.98Å; F18-L40 HydrophobicContact CB-CG 4.39Å; F18-L40 HydrophobicContact CD1-CB 3.92Å; F18-L40 HydrophobicContact CG-CB 4.1Å; F18-L40 HydrophobicContact CG-CD1 4.38Å; F18-L41 CarbonylContact C-O 3.57Å; F18-L41 VanDerWaalsContact CA-O 3.27Å; F18-L41 WeakPolarHBondContact CA-O 3.14Å; F18-P42 HydrophobicContact CD1-CB 4.26Å; F18-P42 HydrophobicContact CE1-CB 4.11Å; F18-I117 HydrophobicContact CE2-CD1 3.86Å; F18-I117 HydrophobicContact CZ-CD1 3.76Å; F18-F124 HydrophobicContact CD1-CE1 4.31Å; F18-F124 AromaticContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CZ-CE1 4.12Å |
| 19 | H | 86.1 | Confident | 83.2 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.4 | 164.6 | -67.1 | -59.6 | 0 | 0 | 0 | 109.1 | V21 L41 A43 | H19-V21 HydrophobicContact CB-CG2 4.11Å; H19-L41 PolarHBondContact N-O 3.32Å; H19-L41 PolarHBondContact O-N 3.3Å; H19-A43 VanDerWaalsContact CD2-CB 3.43Å; H19-A43 WeakPolarHBondContact CD2-CB 3.27Å; H19-A43 VanDerWaalsContact NE2-CB 3.3Å; H19-A43 WeakPolarHBondContact NE2-CB 3.4Å |
| 20 | L | 90.1 | Very high | 83.6 | Confident | 119 Ų | 119 | 88.1 Ų | 88.1 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.5 | 173 | -173.8 | 68.4 | 0 | 0 | 0 | 108.3 | H38 L40 | L20-H38 HydrophobicContact CD1-CB 3.59Å; L20-H38 HydrophobicContact CG-CB 3.97Å; L20-L40 HydrophobicContact CB-CD2 4.48Å; L20-L40 HydrophobicContact CD1-CD2 3.82Å |
| 21 | V | 89.3 | Confident | 83.6 | Confident | 63 Ų | 63 | 86.6 Ų | 86.6 | 38% | 0.382 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 157 | -175.9 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | H19 H38 V39 L41 | H19-V21 HydrophobicContact CB-CG2 4.11Å; V21-H38 CarbonylContact O-C 3.52Å; V21-H38 WeakPolarHBondContact O-CA 3.45Å; V21-V39 PolarHBondContact N-O 2.63Å; V21-V39 PolarHBondContact O-N 2.97Å; V21-L41 HydrophobicContact CB-CD1 4.1Å; V21-L41 HydrophobicContact CG1-CD1 4.45Å; V21-L41 HydrophobicContact CG2-CD1 3.97Å |
| 22 | H | 89.6 | Confident | 83.7 | Confident | 119 Ų | 119 | 84.9 Ų | 84.9 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 149.1 | 170.6 | -76.1 | -78.9 | 0 | 0 | 0 | 111.3 | H38 | H22-H38 AromaticContact CD2-CE1 3.98Å; H22-H38 AromaticContact CE1-CE1 3.11Å; H22-H38 PolarHBondContact CE1-CE1 2.71Å; H22-H38 AromaticContact CE1-ND1 3.83Å; H22-H38 AromaticContact CE1-NE2 3.81Å; H22-H38 AromaticContact CG-CE1 3.94Å; H22-H38 AromaticContact CG-ND1 3.93Å; H22-H38 AromaticContact ND1-CE1 3.39Å; H22-H38 PolarHBondContact ND1-CE1 3.21Å; H22-H38 AromaticContact ND1-ND1 3.66Å; H22-H38 AromaticContact NE2-CE1 3.48Å; H22-H38 PolarHBondContact NE2-CE1 3.12Å |
| 23 | R | 86.3 | Confident | 84 | Confident | 27 Ų | 27 | 86 Ų | 86 | 10% | 0.102 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 141.6 | 170.2 | -79 | -168.2 | -171.2 | -87.6 | -10.8 | 111.1 | D27 A30 P36 Q37 V39 S122 | R23-D27 IonicContact CZ-OD2 3.87Å; R23-D27 IonicContact NH1-OD2 2.87Å; R23-D27 PolarHBondContact NH1-OD2 3.32Å; R23-A30 HydrophobicContact CB-CB 4.49Å; R23-P36 PolarHBondContact NE-O 3.26Å; R23-P36 PolarHBondContact NH2-O 3.32Å; R23-P36 VanDerWaalsContact NH2-O 3.15Å; R23-Q37 PolarHBondContact N-O 2.84Å; R23-V39 HydrophobicContact CG-CG2 3.56Å; R23-S122 PolarHBondContact NH2-O 2.98Å |
| 24 | S | 85.6 | Confident | 84.4 | Confident | 49 Ų | 49 | 85 Ų | 85 | 34% | 0.343 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 147.1 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | R26 D27 | S24-R26 PolarHBondContact O-N 3.36Å; S24-R26 PolarHBondContact OG-N 3.07Å; S24-R26 VanDerWaalsContact OG-N 3.13Å; S24-D27 WeakPolarHBondContact O-CB 3.22Å; S24-D27 PolarHBondContact O-N 2.71Å; S24-D27 VanDerWaalsContact O-N 3.16Å |
| 25 | Q | 85.2 | Confident | 84.7 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.4 | 169.7 | -66.6 | -174.2 | -2 | 0 | 0 | 112.7 | G133 L134 | Q25-G133 CarbonylContact O-C 3.5Å; Q25-G133 VanDerWaalsContact O-CA 3.32Å; Q25-G133 WeakPolarHBondContact O-CA 3.2Å; Q25-L134 PolarHBondContact O-N 3.22Å |
| 26 | R | 85.2 | Confident | 85 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -8.1 | 175.7 | -64.8 | -179.1 | 178.2 | -178.5 | -5.3 | 113.1 | S24 E129 E130 | S24-R26 PolarHBondContact O-N 3.36Å; S24-R26 PolarHBondContact OG-N 3.07Å; S24-R26 VanDerWaalsContact OG-N 3.13Å; R26-E129 HydrophobicContact CB-CB 4.29Å; R26-E130 WeakPolarHBondContact CB-O 3.43Å; R26-E130 WeakPolarHBondContact CD-O 3.18Å; R26-E130 WeakPolarHBondContact CG-O 3.43Å; R26-E130 PolarHBondContact O-N 3.13Å |
| 27 | D | 86.1 | Confident | 85.1 | Confident | 7 Ų | 7 | 83.9 Ų | 83.9 | 4% | 0.037 | 44% | 0.435 | C | S | . | . | trans | -77.7 | 123.8 | 175.9 | 179.2 | -12.4 | 0 | 0 | 0 | 109 | R23 S24 L29 A30 S126 | R23-D27 IonicContact CZ-OD2 3.87Å; R23-D27 IonicContact NH1-OD2 2.87Å; R23-D27 PolarHBondContact NH1-OD2 3.32Å; S24-D27 WeakPolarHBondContact O-CB 3.22Å; S24-D27 PolarHBondContact O-N 2.71Å; S24-D27 VanDerWaalsContact O-N 3.16Å; D27-L29 PolarHBondContact O-N 2.9Å; D27-L29 WeakPolarHBondContact OD1-CB 3.47Å; D27-L29 PolarHBondContact OD1-N 3.32Å; D27-A30 WeakPolarHBondContact O-CB 3.5Å; D27-A30 PolarHBondContact O-N 3.01Å; D27-S126 WeakPolarHBondContact OD1-CB 3.37Å; D27-S126 PolarHBondContact OD1-OG 3.27Å; D27-S126 VanDerWaalsContact OD1-OG 3.08Å | ||
| 28 | P | 83.8 | Confident | 85.4 | Confident | 58 Ų | 58 | 84 Ų | 84 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -60.4 | -27.6 | 178.8 | 25.3 | -35.6 | 0 | 0 | 0 | 113.2 | A30 F128 | P28-A30 PolarHBondContact O-N 3.27Å; P28-F128 WeakPolarHBondContact CD-O 3.5Å |
| 29 | L | 84.8 | Confident | 85.6 | Confident | 62 Ų | 62 | 82 Ų | 82 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -77.5 | -2.1 | 177.5 | -64.6 | 172.9 | 0 | 0 | 0 | 112.9 | D27 A31 D32 A35 | D27-L29 PolarHBondContact O-N 2.9Å; D27-L29 WeakPolarHBondContact OD1-CB 3.47Å; D27-L29 PolarHBondContact OD1-N 3.32Å; L29-A31 PolarHBondContact O-N 3.43Å; L29-D32 PolarHBondContact O-N 2.98Å; L29-A35 HydrophobicContact CB-CB 4.27Å |
| 30 | A | 83.9 | Confident | 85.6 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -64.7 | -24.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R23 D27 P28 | R23-A30 HydrophobicContact CB-CB 4.49Å; D27-A30 WeakPolarHBondContact O-CB 3.5Å; D27-A30 PolarHBondContact O-N 3.01Å; P28-A30 PolarHBondContact O-N 3.27Å |
| 31 | A | 79.7 | Confident | 85.4 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -91.3 | -8.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | L29 L134 | L29-A31 PolarHBondContact O-N 3.43Å; A31-L134 HydrophobicContact CB-CD2 4.04Å |
| 32 | D | 83.6 | Confident | 85 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | trans | -86.5 | 115.7 | -177.8 | -176.8 | 5.5 | 0 | 0 | 0 | 111.2 | L29 K34 A35 | L29-D32 PolarHBondContact O-N 2.98Å; D32-K34 PolarHBondContact O-N 3.27Å; D32-K34 VanDerWaalsContact O-N 3.16Å; D32-K34 WeakPolarHBondContact OD1-CB 3.41Å; D32-K34 PolarHBondContact OD1-N 2.82Å; D32-A35 HydrophobicContact CB-CB 4.11Å; D32-A35 PolarHBondContact O-N 2.86Å; D32-A35 VanDerWaalsContact O-N 3.12Å | ||
| 33 | E | 82.6 | Confident | 84.4 | Confident | 202 Ų | 202 | 70.8 Ų | 70.8 | 94% | 0.944 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.6 | 177.3 | -62.8 | -173 | 165.6 | 0 | 0 | 113.5 | ||
| 34 | K | 84.7 | Confident | 83.5 | Confident | 191 Ų | 191 | 72.8 Ų | 72.8 | 83% | 0.83 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -19.5 | 178.8 | -165.4 | 177.7 | 178.3 | -176.6 | 0 | 112.6 | D32 | D32-K34 PolarHBondContact O-N 3.27Å; D32-K34 VanDerWaalsContact O-N 3.16Å; D32-K34 WeakPolarHBondContact OD1-CB 3.41Å; D32-K34 PolarHBondContact OD1-N 2.82Å |
| 35 | A | 83.7 | Confident | 82.5 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -83.4 | 145.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L29 D32 | L29-A35 HydrophobicContact CB-CB 4.27Å; D32-A35 HydrophobicContact CB-CB 4.11Å; D32-A35 PolarHBondContact O-N 2.86Å; D32-A35 VanDerWaalsContact O-N 3.12Å |
| 36 | P | 83.9 | Confident | 81.4 | Confident | 52 Ų | 52 | 75.3 Ų | 75.3 | 34% | 0.338 | 40% | 0.404 | S | S | . | . | trans | -68.1 | 135.4 | 177.6 | 25.9 | -32 | 0 | 0 | 0 | 110.6 | R23 H38 S122 | R23-P36 PolarHBondContact NE-O 3.26Å; R23-P36 PolarHBondContact NH2-O 3.32Å; R23-P36 VanDerWaalsContact NH2-O 3.15Å; P36-H38 PolarHBondContact O-N 3.32Å; P36-H38 VanDerWaalsContact O-N 3.17Å; P36-S122 WeakPolarHBondContact CD-OG 3.34Å | ||
| 37 | Q | 85.1 | Confident | 80.5 | Confident | 140 Ų | 140 | 73.3 Ų | 73.3 | 65% | 0.654 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.6 | -18.2 | -178.1 | -164.3 | 176.8 | 16.9 | 0 | 0 | 114.2 | R23 | R23-Q37 PolarHBondContact N-O 2.84Š|
| 38 | H | 88.8 | Confident | 79.8 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 34% | 0.338 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.8 | -179.7 | -61.8 | -81.4 | 0 | 0 | 0 | 111.6 | L20 V21 H22 P36 | L20-H38 HydrophobicContact CD1-CB 3.59Å; L20-H38 HydrophobicContact CG-CB 3.97Å; V21-H38 CarbonylContact O-C 3.52Å; V21-H38 WeakPolarHBondContact O-CA 3.45Å; H22-H38 AromaticContact CD2-CE1 3.98Å; H22-H38 AromaticContact CE1-CE1 3.11Å; H22-H38 PolarHBondContact CE1-CE1 2.71Å; H22-H38 AromaticContact CE1-ND1 3.83Å; H22-H38 AromaticContact CE1-NE2 3.81Å; H22-H38 AromaticContact CG-CE1 3.94Å; H22-H38 AromaticContact CG-ND1 3.93Å; H22-H38 AromaticContact ND1-CE1 3.39Å; H22-H38 PolarHBondContact ND1-CE1 3.21Å; H22-H38 AromaticContact ND1-ND1 3.66Å; H22-H38 AromaticContact NE2-CE1 3.48Å; H22-H38 PolarHBondContact NE2-CE1 3.12Å; P36-H38 PolarHBondContact O-N 3.32Å; P36-H38 VanDerWaalsContact O-N 3.17Å |
| 39 | V | 89.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 4% | 0.036 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.5 | -178.5 | 161.2 | 0 | 0 | 0 | 0 | 110.1 | V21 R23 L41 V123 F124 A125 | V21-V39 PolarHBondContact N-O 2.63Å; V21-V39 PolarHBondContact O-N 2.97Å; R23-V39 HydrophobicContact CG-CG2 3.56Å; V39-L41 HydrophobicContact CG1-CD2 4.42Å; V39-V123 WeakPolarHBondContact CA-O 3.33Å; V39-F124 VanDerWaalsContact CG1-C 3.49Å; V39-A125 HydrophobicContact CG1-CB 4.03Å |
| 40 | L | 87.2 | Confident | 79 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 18% | 0.178 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 113.6 | 172.8 | -65.3 | -177.8 | 0 | 0 | 0 | 110.6 | F18 L20 L119 V123 F124 | F18-L40 HydrophobicContact CB-CB 4.03Å; F18-L40 HydrophobicContact CB-CD2 3.98Å; F18-L40 HydrophobicContact CB-CG 4.39Å; F18-L40 HydrophobicContact CD1-CB 3.92Å; F18-L40 HydrophobicContact CG-CB 4.1Å; F18-L40 HydrophobicContact CG-CD1 4.38Å; L20-L40 HydrophobicContact CB-CD2 4.48Å; L20-L40 HydrophobicContact CD1-CD2 3.82Å; L40-L119 HydrophobicContact CD1-CD1 3.99Å; L40-V123 HydrophobicContact CB-CG1 4.31Å; L40-V123 HydrophobicContact CD1-CG1 3.46Å; L40-V123 VanDerWaalsContact CD1-CG1 3.46Å; L40-V123 HydrophobicContact CG-CG1 3.6Å; L40-V123 PolarHBondContact N-O 2.83Å; L40-F124 HydrophobicContact CB-CD1 4.21Å; L40-F124 HydrophobicContact CB-CE1 4.14Å |
| 41 | L | 84.2 | Confident | 78.8 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.7 | 170.4 | -68.7 | 179 | 0 | 0 | 0 | 110.1 | F18 H19 V21 V39 A43 | F18-L41 CarbonylContact C-O 3.57Å; F18-L41 VanDerWaalsContact CA-O 3.27Å; F18-L41 WeakPolarHBondContact CA-O 3.14Å; H19-L41 PolarHBondContact N-O 3.32Å; H19-L41 PolarHBondContact O-N 3.3Å; V21-L41 HydrophobicContact CB-CD1 4.1Å; V21-L41 HydrophobicContact CG1-CD1 4.45Å; V21-L41 HydrophobicContact CG2-CD1 3.97Å; V39-L41 HydrophobicContact CG1-CD2 4.42Å; L41-A43 PolarHBondContact O-N 2.87Å |
| 42 | P | 82.1 | Confident | 78.9 | Confident | 45 Ų | 45 | 83.1 Ų | 83.1 | 29% | 0.292 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 124.7 | 179 | 25.3 | -31.7 | 0 | 0 | 0 | 110 | F18 A44 | F18-P42 HydrophobicContact CD1-CB 4.26Å; F18-P42 HydrophobicContact CE1-CB 4.11Å; P42-A44 PolarHBondContact O-N 2.7Å |
| 43 | A | 76.5 | Confident | 78.9 | Confident | 20 Ų | 20 | 85.6 Ų | 85.6 | 17% | 0.165 | 43% | 0.434 | C | S | . | . | trans | -81.4 | 96.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | T17 H19 L41 K45 | T17-A43 HydrophobicContact CG2-CB 3.98Å; T17-A43 WeakPolarHBondContact O-CB 3.42Å; T17-A43 PolarHBondContact O-N 3Å; H19-A43 VanDerWaalsContact CD2-CB 3.43Å; H19-A43 WeakPolarHBondContact CD2-CB 3.27Å; H19-A43 VanDerWaalsContact NE2-CB 3.3Å; H19-A43 WeakPolarHBondContact NE2-CB 3.4Å; L41-A43 PolarHBondContact O-N 2.87Å; A43-K45 PolarHBondContact O-N 2.94Å | ||
| 44 | A | 68.4 | Low | 79 | Confident | 69 Ų | 69 | 81 Ų | 81 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | trans | -59.4 | 123.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P42 V46 | P42-A44 PolarHBondContact O-N 2.7Å; A44-V46 HydrophobicContact CB-CG2 3.69Å; A44-V46 PolarHBondContact O-N 3.15Å | ||
| 45 | K | 64 | Low | 79.1 | Confident | 145 Ų | 145 | 72.1 Ų | 72.1 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | trans | -75.2 | 71.8 | 164.9 | -67.9 | 176.8 | -174.6 | 158.7 | 0 | 106.8 | A43 D47 | A43-K45 PolarHBondContact O-N 2.94Å; K45-D47 PolarHBondContact O-N 2.98Å | ||
| 46 | V | 61.6 | Low | 79.3 | Confident | 66 Ų | 66 | 79 Ų | 79 | 40% | 0.4 | 40% | 0.396 | S | S | . | . | trans | -66.8 | 120.5 | 173.7 | -172.1 | 0 | 0 | 0 | 0 | 106.1 | A44 A48 R51 | A44-V46 HydrophobicContact CB-CG2 3.69Å; A44-V46 PolarHBondContact O-N 3.15Å; V46-A48 PolarHBondContact O-N 2.73Å; V46-A48 VanDerWaalsContact O-N 3.16Å; V46-R51 HydrophobicContact CG1-CB 4.39Å | ||
| 47 | D | 67.2 | Low | 79.6 | Confident | 87 Ų | 87 | 83.1 Ų | 83.1 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | trans | -55.1 | 121.4 | 174.2 | -61.2 | -51.4 | 0 | 0 | 0 | 107.4 | K45 D49 K50 R51 | K45-D47 PolarHBondContact O-N 2.98Å; D47-D49 PolarHBondContact O-N 3.17Å; D47-K50 HydrophobicContact CB-CB 4.44Å; D47-K50 HydrophobicContact CB-CD 4.1Å; D47-K50 HydrophobicContact CB-CG 4.13Å; D47-K50 PolarHBondContact O-N 2.81Å; D47-K50 WeakPolarHBondContact OD2-CE 3.39Å; D47-K50 IonicContact OD2-NZ 3.42Å; D47-K50 PolarHBondContact OD2-NZ 2.98Å; D47-R51 PolarHBondContact O-N 3.23Å | ||
| 48 | A | 70.5 | Confident | 79.6 | Confident | 48 Ų | 48 | 82.5 Ų | 82.5 | 40% | 0.397 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.5 | -27 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V46 R52 | V46-A48 PolarHBondContact O-N 2.73Å; V46-A48 VanDerWaalsContact O-N 3.16Å; A48-R52 WeakPolarHBondContact O-CG 3.35Å; A48-R52 PolarHBondContact O-N 2.97Å; A48-R52 VanDerWaalsContact O-N 3.1Å |
| 49 | D | 72.8 | Confident | 79.5 | Confident | 104 Ų | 104 | 81.2 Ų | 81.2 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.9 | -41.7 | 176.9 | -58 | -37.5 | 0 | 0 | 0 | 112.3 | D47 R51 R52 E53 | D47-D49 PolarHBondContact O-N 3.17Å; D49-R51 VanDerWaalsContact C-N 3.35Å; D49-R51 PolarHBondContact O-N 2.93Å; D49-R52 PolarHBondContact O-N 3.11Å; D49-E53 WeakPolarHBondContact O-CG 3.21Å; D49-E53 PolarHBondContact O-N 3.27Å |
| 50 | K | 79.3 | Confident | 79.4 | Confident | 112 Ų | 112 | 82.3 Ų | 82.3 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 175.6 | -69.8 | 176.6 | -179.4 | 154.8 | 0 | 111.6 | D47 R52 E53 E54 | D47-K50 HydrophobicContact CB-CB 4.44Å; D47-K50 HydrophobicContact CB-CD 4.1Å; D47-K50 HydrophobicContact CB-CG 4.13Å; D47-K50 PolarHBondContact O-N 2.81Å; D47-K50 WeakPolarHBondContact OD2-CE 3.39Å; D47-K50 IonicContact OD2-NZ 3.42Å; D47-K50 PolarHBondContact OD2-NZ 2.98Å; K50-R52 VanDerWaalsContact C-N 3.31Å; K50-R52 PolarHBondContact O-N 3.48Å; K50-E53 PolarHBondContact O-N 3.34Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.19Å |
| 51 | R | 79.1 | Confident | 79.4 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 28% | 0.279 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 174.7 | -169.5 | -168.1 | -58 | 144.3 | 5.8 | 111.3 | V46 D47 D49 E54 Q55 | V46-R51 HydrophobicContact CG1-CB 4.39Å; D47-R51 PolarHBondContact O-N 3.23Å; D49-R51 VanDerWaalsContact C-N 3.35Å; D49-R51 PolarHBondContact O-N 2.93Å; R51-E54 PolarHBondContact O-N 2.96Å; R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 VanDerWaalsContact O-CG 3.29Å; R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 2.83Å |
| 52 | R | 81.2 | Confident | 79.5 | Confident | 107 Ų | 107 | 90.2 Ų | 90.2 | 40% | 0.404 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67 | -36 | 177 | -76 | 174.4 | 177.9 | 163.3 | -2.1 | 112.4 | A48 D49 K50 R56 | A48-R52 WeakPolarHBondContact O-CG 3.35Å; A48-R52 PolarHBondContact O-N 2.97Å; A48-R52 VanDerWaalsContact O-N 3.1Å; D49-R52 PolarHBondContact O-N 3.11Å; K50-R52 VanDerWaalsContact C-N 3.31Å; K50-R52 PolarHBondContact O-N 3.48Å; R52-R56 WeakPolarHBondContact O-CB 3.11Å; R52-R56 VanDerWaalsContact O-CG 3.22Å; R52-R56 WeakPolarHBondContact O-CG 3.17Å; R52-R56 PolarHBondContact O-N 3.39Å |
| 53 | E | 84.5 | Confident | 79.5 | Confident | 129 Ų | 129 | 95.3 Ų | 95.3 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -44.1 | 174.5 | -73.2 | 171 | -177.8 | 0 | 0 | 111.8 | D49 K50 R56 N57 | D49-E53 WeakPolarHBondContact O-CG 3.21Å; D49-E53 PolarHBondContact O-N 3.27Å; K50-E53 PolarHBondContact O-N 3.34Å; E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.08Å; E53-N57 PolarHBondContact O-N 3.1Å |
| 54 | E | 85.6 | Confident | 80.1 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 174.5 | -69.9 | 170.6 | -170.3 | 0 | 0 | 111.2 | K50 R51 R56 N57 F58 L69 | K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 3.19Å; R51-E54 PolarHBondContact O-N 2.96Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; E54-N57 WeakPolarHBondContact O-CA 3.33Å; E54-N57 VanDerWaalsContact O-CB 3.26Å; E54-N57 WeakPolarHBondContact O-CB 3.13Å; E54-N57 PolarHBondContact O-N 2.64Å; E54-F58 WeakPolarHBondContact O-CD2 3.46Å; E54-F58 PolarHBondContact O-N 3.15Å; E54-F58 VanDerWaalsContact O-N 3.1Å; E54-L69 HydrophobicContact CB-CD1 3.66Å |
| 55 | Q | 86.1 | Confident | 80.6 | Confident | 6 Ų | 6 | 101.2 Ų | 101.2 | 3% | 0.028 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -57 | -41.6 | 175.5 | -78 | 178.6 | 13.6 | 0 | 0 | 112.1 | R51 N57 F58 G59 V60 Y66 D67 L69 | R51-Q55 WeakPolarHBondContact O-CB 3.46Å; R51-Q55 VanDerWaalsContact O-CG 3.29Å; R51-Q55 WeakPolarHBondContact O-CG 3.4Å; R51-Q55 PolarHBondContact O-N 2.83Å; Q55-N57 VanDerWaalsContact C-N 3.32Å; Q55-N57 PolarHBondContact O-N 2.68Å; Q55-F58 CarbonylContact O-C 3.6Å; Q55-F58 WeakPolarHBondContact O-CA 3.32Å; Q55-F58 PolarHBondContact O-N 2.86Å; Q55-F58 VanDerWaalsContact O-N 3.11Å; Q55-G59 PolarHBondContact O-N 3.25Å; Q55-G59 VanDerWaalsContact O-N 3.15Å; Q55-V60 CarbonylContact C-O 3.55Å; Q55-V60 HydrophobicContact CB-CB 4Å; Q55-V60 HydrophobicContact CB-CG1 4.29Å; Q55-V60 WeakPolarHBondContact O-CB 3.42Å; Q55-V60 PolarHBondContact O-N 3.26Å; Q55-Y66 PolarHBondContact NE2-O 3.14Å; Q55-D67 PolarHBondContact NE2-OD1 3.04Å; Q55-L69 HydrophobicContact CG-CD1 3.97Å; Q55-L69 HydrophobicContact CG-CD2 4.28Å; Q55-L69 HydrophobicContact CG-CG 3.8Å |
| 56 | R | 87.8 | Confident | 81.4 | Confident | 162 Ų | 162 | 99.8 Ų | 99.8 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.6 | -37.7 | 173.9 | -77.8 | 174 | 167.4 | -158.9 | -3.6 | 112.7 | R52 E53 E54 F58 G59 V60 F61 | R52-R56 WeakPolarHBondContact O-CB 3.11Å; R52-R56 VanDerWaalsContact O-CG 3.22Å; R52-R56 WeakPolarHBondContact O-CG 3.17Å; R52-R56 PolarHBondContact O-N 3.39Å; E53-R56 WeakPolarHBondContact O-CB 3.35Å; E53-R56 PolarHBondContact O-N 3.08Å; E54-R56 VanDerWaalsContact C-N 3.28Å; E54-R56 PolarHBondContact O-N 3.39Å; R56-F58 PolarHBondContact O-N 3.16Å; R56-G59 PolarHBondContact O-N 2.89Å; R56-V60 PolarHBondContact N-O 2.84Å; R56-F61 HydrophobicContact CB-CE1 4.2Å; R56-F61 HydrophobicContact CG-CD1 3.92Å; R56-F61 HydrophobicContact CG-CE1 3.94Å |
| 57 | N | 89.9 | Confident | 82.5 | Confident | 138 Ų | 138 | 99.2 Ų | 99.2 | 74% | 0.738 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -33.8 | 174.7 | -164 | 53.9 | 0 | 0 | 0 | 111.7 | E53 E54 Q55 G59 | E53-N57 PolarHBondContact O-N 3.1Å; E54-N57 WeakPolarHBondContact O-CA 3.33Å; E54-N57 VanDerWaalsContact O-CB 3.26Å; E54-N57 WeakPolarHBondContact O-CB 3.13Å; E54-N57 PolarHBondContact O-N 2.64Å; Q55-N57 VanDerWaalsContact C-N 3.32Å; Q55-N57 PolarHBondContact O-N 2.68Å; N57-G59 VanDerWaalsContact C-N 3.31Å |
| 58 | F | 84.8 | Confident | 83.3 | Confident | 127 Ų | 127 | 98.6 Ų | 98.6 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 10.3 | 173.2 | -68.9 | -76.7 | 0 | 0 | 0 | 114.2 | E54 Q55 R56 V60 L69 L72 | E54-F58 WeakPolarHBondContact O-CD2 3.46Å; E54-F58 PolarHBondContact O-N 3.15Å; E54-F58 VanDerWaalsContact O-N 3.1Å; Q55-F58 CarbonylContact O-C 3.6Å; Q55-F58 WeakPolarHBondContact O-CA 3.32Å; Q55-F58 PolarHBondContact O-N 2.86Å; Q55-F58 VanDerWaalsContact O-N 3.11Å; R56-F58 PolarHBondContact O-N 3.16Å; F58-V60 VanDerWaalsContact C-N 3.32Å; F58-V60 PolarHBondContact O-N 2.85Å; F58-L69 HydrophobicContact CB-CD2 3.96Å; F58-L69 HydrophobicContact CD2-CD1 4.24Å; F58-L69 HydrophobicContact CD2-CD2 3.41Å; F58-L69 VanDerWaalsContact CD2-CD2 3.41Å; F58-L69 HydrophobicContact CD2-CG 4.49Å; F58-L69 HydrophobicContact CE2-CD2 4.12Å; F58-L69 HydrophobicContact CG-CD2 3.83Å; F58-L72 HydrophobicContact CD1-CD1 4.08Å; F58-L72 HydrophobicContact CD2-CD1 4.36Å; F58-L72 HydrophobicContact CE1-CD1 4.19Å; F58-L72 HydrophobicContact CE2-CD1 4.48Å; F58-L72 HydrophobicContact CG-CD1 4.18Å; F58-L72 HydrophobicContact CZ-CD1 4.4Å |
| 59 | G | 87.4 | Confident | 83.9 | Confident | 46 Ų | 46 | 97.8 Ų | 97.8 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 16.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q55 R56 N57 F61 | Q55-G59 PolarHBondContact O-N 3.25Å; Q55-G59 VanDerWaalsContact O-N 3.15Å; R56-G59 PolarHBondContact O-N 2.89Å; N57-G59 VanDerWaalsContact C-N 3.31Å; G59-F61 WeakPolarHBondContact O-CD2 3.27Å; G59-F61 VanDerWaalsContact O-CE2 3.32Å; G59-F61 WeakPolarHBondContact O-CE2 3.41Å |
| 60 | V | 88.3 | Confident | 84.4 | Confident | 28 Ų | 28 | 99.2 Ų | 99.2 | 17% | 0.17 | 47% | 0.468 | C | S | . | . | trans | -92.9 | 118.8 | 174.9 | 180 | 0 | 0 | 0 | 0 | 108.9 | Q55 R56 F58 F62 Y68 | Q55-V60 CarbonylContact C-O 3.55Å; Q55-V60 HydrophobicContact CB-CB 4Å; Q55-V60 HydrophobicContact CB-CG1 4.29Å; Q55-V60 WeakPolarHBondContact O-CB 3.42Å; Q55-V60 PolarHBondContact O-N 3.26Å; R56-V60 PolarHBondContact N-O 2.84Å; F58-V60 VanDerWaalsContact C-N 3.32Å; F58-V60 PolarHBondContact O-N 2.85Å; V60-F62 HydrophobicContact CG1-CD2 3.98Å; V60-Y68 HydrophobicContact CG1-CD1 4.37Å; V60-Y68 HydrophobicContact CG1-CD2 3.39Å; V60-Y68 HydrophobicContact CG1-CE2 3.96Å; V60-Y68 HydrophobicContact CG1-CG 3.62Å; V60-Y68 HydrophobicContact CG2-CG 4.49Å | ||
| 61 | F | 87.1 | Confident | 84.3 | Confident | 144 Ų | 144 | 99.6 Ų | 99.6 | 63% | 0.632 | 47% | 0.471 | S | S | * | . | trans | -123.5 | 19.7 | -174.4 | -58.6 | -79.3 | 0 | 0 | 0 | 113.5 | R56 G59 | R56-F61 HydrophobicContact CB-CE1 4.2Å; R56-F61 HydrophobicContact CG-CD1 3.92Å; R56-F61 HydrophobicContact CG-CE1 3.94Å; G59-F61 WeakPolarHBondContact O-CD2 3.27Å; G59-F61 VanDerWaalsContact O-CE2 3.32Å; G59-F61 WeakPolarHBondContact O-CE2 3.41Å | ||
| 62 | F | 85.5 | Confident | 84.2 | Confident | 133 Ų | 133 | 100.9 Ų | 100.9 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | trans | -76.8 | 142.4 | 179.5 | -60.7 | -72.8 | 0 | 0 | 0 | 111 | V60 D64 Y68 | V60-F62 HydrophobicContact CG1-CD2 3.98Å; F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 WeakPolarHBondContact CB-OD1 3.44Å; F62-D64 PolarHBondContact O-N 2.8Å; F62-Y68 HydrophobicContact CB-CE2 4.05Å; F62-Y68 HydrophobicContact CD2-CE1 4.18Å; F62-Y68 HydrophobicContact CD2-CE2 4.12Å; F62-Y68 AromaticContact CD2-CZ 3.76Å; F62-Y68 HydrophobicContact CG-CE2 4.5Å | ||
| 63 | D | 83.1 | Confident | 83.8 | Confident | 152 Ų | 152 | 105.2 Ų | 105.2 | 81% | 0.813 | 51% | 0.505 | S | S | * | . | trans | -90.7 | 17.5 | -178.5 | -73.1 | -27.3 | 0 | 0 | 0 | 112.8 | ||||
| 64 | D | 87.6 | Confident | 83.1 | Confident | 68 Ų | 68 | 107.4 Ų | 107.4 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -90.3 | 168.6 | 178.1 | 64.2 | -27.3 | 0 | 0 | 0 | 112.9 | F62 Y66 Y68 | F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 WeakPolarHBondContact CB-OD1 3.44Å; F62-D64 PolarHBondContact O-N 2.8Å; D64-Y66 VanDerWaalsContact C-N 3.25Å; D64-Y66 PolarHBondContact O-N 3.1Å; D64-Y66 WeakPolarHBondContact OD2-CB 3.45Å; D64-Y68 VanDerWaalsContact CG-OH 3.25Å; D64-Y68 WeakPolarHBondContact OD1-CE2 3.29Å; D64-Y68 PolarHBondContact OD1-OH 3.47Å; D64-Y68 VanDerWaalsContact OD1-OH 3.1Å; D64-Y68 PolarHBondContact OD2-OH 2.78Å |
| 65 | D | 79.1 | Confident | 81.8 | Confident | 145 Ų | 145 | 107.4 Ų | 107.4 | 78% | 0.775 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -86.7 | 8.7 | -177.1 | -67 | -35.4 | 0 | 0 | 0 | 113 | ||
| 66 | Y | 81.9 | Confident | 80.1 | Confident | 116 Ų | 116 | 112.4 Ų | 112.4 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | trans | -81.3 | 141.6 | -176.8 | -165.1 | -101 | 0 | 0 | 0 | 111.8 | Q55 D64 Y68 H71 | Q55-Y66 PolarHBondContact NE2-O 3.14Å; D64-Y66 VanDerWaalsContact C-N 3.25Å; D64-Y66 PolarHBondContact O-N 3.1Å; D64-Y66 WeakPolarHBondContact OD2-CB 3.45Å; Y66-Y68 HydrophobicContact CD1-CD1 4.08Å; Y66-Y68 HydrophobicContact CD1-CD2 4.35Å; Y66-Y68 HydrophobicContact CD1-CE1 4.06Å; Y66-Y68 HydrophobicContact CD1-CE2 4.32Å; Y66-Y68 HydrophobicContact CD1-CG 4.23Å; Y66-Y68 WeakPolarHBondContact O-CD2 3.47Å; Y66-Y68 PolarHBondContact O-N 2.98Å; Y66-H71 PolarHBondContact OH-NE2 2.99Å | ||
| 67 | D | 84.4 | Confident | 78.2 | Confident | 54 Ų | 54 | 106.7 Ų | 106.7 | 29% | 0.289 | 56% | 0.56 | S | S | . | * | trans | -95.4 | 92.3 | 178.8 | -166.2 | 1.6 | 0 | 0 | 0 | 111.6 | Q55 L69 Q70 | Q55-D67 PolarHBondContact NE2-OD1 3.04Å; D67-L69 PolarHBondContact O-N 3.21Å; D67-L69 PolarHBondContact OD1-N 2.93Å; D67-Q70 VanDerWaalsContact O-CB 3.31Å; D67-Q70 WeakPolarHBondContact O-CB 3.34Å; D67-Q70 PolarHBondContact O-N 3.47Å | ||
| 68 | Y | 83.3 | Confident | 75.8 | Confident | 73 Ų | 73 | 106.8 Ų | 106.8 | 29% | 0.286 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -66.5 | -19.3 | -178.9 | -65.7 | -86.6 | 0 | 0 | 0 | 113.9 | V60 F62 D64 Y66 Q70 | V60-Y68 HydrophobicContact CG1-CD1 4.37Å; V60-Y68 HydrophobicContact CG1-CD2 3.39Å; V60-Y68 HydrophobicContact CG1-CE2 3.96Å; V60-Y68 HydrophobicContact CG1-CG 3.62Å; V60-Y68 HydrophobicContact CG2-CG 4.49Å; F62-Y68 HydrophobicContact CB-CE2 4.05Å; F62-Y68 HydrophobicContact CD2-CE1 4.18Å; F62-Y68 HydrophobicContact CD2-CE2 4.12Å; F62-Y68 AromaticContact CD2-CZ 3.76Å; F62-Y68 HydrophobicContact CG-CE2 4.5Å; D64-Y68 VanDerWaalsContact CG-OH 3.25Å; D64-Y68 WeakPolarHBondContact OD1-CE2 3.29Å; D64-Y68 PolarHBondContact OD1-OH 3.47Å; D64-Y68 VanDerWaalsContact OD1-OH 3.1Å; D64-Y68 PolarHBondContact OD2-OH 2.78Å; Y66-Y68 HydrophobicContact CD1-CD1 4.08Å; Y66-Y68 HydrophobicContact CD1-CD2 4.35Å; Y66-Y68 HydrophobicContact CD1-CE1 4.06Å; Y66-Y68 HydrophobicContact CD1-CE2 4.32Å; Y66-Y68 HydrophobicContact CD1-CG 4.23Å; Y66-Y68 WeakPolarHBondContact O-CD2 3.47Å; Y66-Y68 PolarHBondContact O-N 2.98Å; Y68-Q70 VanDerWaalsContact C-N 3.3Å |
| 69 | L | 83.6 | Confident | 73.8 | Confident | 32 Ų | 32 | 105.5 Ų | 105.5 | 17% | 0.168 | 58% | 0.575 | C | S | . | * | G | 310 helix | trans | -80.1 | -13.9 | 179.6 | -54.4 | -179.5 | 0 | 0 | 0 | 112.4 | E54 Q55 F58 D67 H71 L72 | E54-L69 HydrophobicContact CB-CD1 3.66Å; Q55-L69 HydrophobicContact CG-CD1 3.97Å; Q55-L69 HydrophobicContact CG-CD2 4.28Å; Q55-L69 HydrophobicContact CG-CG 3.8Å; F58-L69 HydrophobicContact CB-CD2 3.96Å; F58-L69 HydrophobicContact CD2-CD1 4.24Å; F58-L69 HydrophobicContact CD2-CD2 3.41Å; F58-L69 VanDerWaalsContact CD2-CD2 3.41Å; F58-L69 HydrophobicContact CD2-CG 4.49Å; F58-L69 HydrophobicContact CE2-CD2 4.12Å; F58-L69 HydrophobicContact CG-CD2 3.83Å; D67-L69 PolarHBondContact O-N 3.21Å; D67-L69 PolarHBondContact OD1-N 2.93Å; L69-H71 PolarHBondContact O-N 2.93Å; L69-H71 VanDerWaalsContact O-N 3.11Å; L69-L72 HydrophobicContact CB-CD1 4.22Å; L69-L72 HydrophobicContact CD2-CD1 3.41Å; L69-L72 VanDerWaalsContact CD2-CD1 3.41Å; L69-L72 HydrophobicContact CD2-CG 4.49Å; L69-L72 HydrophobicContact CG-CD1 4.4Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.16Å |
| 70 | Q | 82.1 | Confident | 71.3 | Confident | 134 Ų | 134 | 111.7 Ų | 111.7 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -58.6 | -28 | -178.2 | -175.4 | 176.6 | 42.6 | 0 | 0 | 113.5 | D67 Y68 | D67-Q70 VanDerWaalsContact O-CB 3.31Å; D67-Q70 WeakPolarHBondContact O-CB 3.34Å; D67-Q70 PolarHBondContact O-N 3.47Å; Y68-Q70 VanDerWaalsContact C-N 3.3Å |
| 71 | H | 78.3 | Confident | 69 | Low | 119 Ų | 119 | 117.3 Ų | 117.3 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -103.7 | 1.4 | -175.1 | -56 | -67.4 | 0 | 0 | 0 | 113.3 | Y66 L69 K73 | Y66-H71 PolarHBondContact OH-NE2 2.99Å; L69-H71 PolarHBondContact O-N 2.93Å; L69-H71 VanDerWaalsContact O-N 3.11Å; H71-K73 PolarHBondContact O-N 3.14Å |
| 72 | L | 76.4 | Confident | 66.4 | Low | 102 Ų | 102 | 116.5 Ų | 116.5 | 53% | 0.534 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 118 | 174.4 | -73.2 | 175.1 | 0 | 0 | 0 | 109 | F58 L69 | F58-L72 HydrophobicContact CD1-CD1 4.08Å; F58-L72 HydrophobicContact CD2-CD1 4.36Å; F58-L72 HydrophobicContact CE1-CD1 4.19Å; F58-L72 HydrophobicContact CE2-CD1 4.48Å; F58-L72 HydrophobicContact CG-CD1 4.18Å; F58-L72 HydrophobicContact CZ-CD1 4.4Å; L69-L72 HydrophobicContact CB-CD1 4.22Å; L69-L72 HydrophobicContact CD2-CD1 3.41Å; L69-L72 VanDerWaalsContact CD2-CD1 3.41Å; L69-L72 HydrophobicContact CD2-CG 4.49Å; L69-L72 HydrophobicContact CG-CD1 4.4Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.16Å |
| 73 | K | 73.3 | Confident | 63.9 | Low | 197 Ų | 197 | 116.2 Ų | 116.2 | 86% | 0.857 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 136.7 | 170.9 | -69.4 | 179.5 | 179.1 | 177.3 | 0 | 108.6 | H71 A75 | H71-K73 PolarHBondContact O-N 3.14Å; K73-A75 PolarHBondContact O-N 3.25Å |
| 74 | E | 69.4 | Low | 61.5 | Low | 175 Ų | 175 | 113.6 Ų | 113.6 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 133.4 | 170.8 | -69.1 | 176 | -175.4 | 0 | 0 | 109.8 | S76 | E74-S76 PolarHBondContact O-N 3.01Š|
| 75 | A | 58.3 | Low | 58.9 | Low | 105 Ų | 105 | 113.7 Ų | 113.7 | 87% | 0.868 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 8.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K73 G77 | K73-A75 PolarHBondContact O-N 3.25Å; A75-G77 VanDerWaalsContact C-N 3.31Å; A75-G77 PolarHBondContact O-N 3.28Å |
| 76 | S | 50.9 | Low | 56.7 | Low | 110 Ų | 110 | 112.8 Ų | 112.8 | 77% | 0.769 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -5.8 | -178.4 | -160.7 | 0 | 0 | 0 | 0 | 113.9 | E74 | E74-S76 PolarHBondContact O-N 3.01Š|
| 77 | G | 47.6 | Very low | 54.3 | Low | 42 Ų | 42 | 112.7 Ų | 112.7 | 43% | 0.433 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -78.2 | 150.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A75 S79 | A75-G77 VanDerWaalsContact C-N 3.31Å; A75-G77 PolarHBondContact O-N 3.28Å; G77-S79 PolarHBondContact O-N 2.81Å |
| 78 | P | 40.7 | Very low | 51.8 | Low | 141 Ų | 141 | 118.3 Ų | 118.3 | 92% | 0.916 | 70% | 0.695 | S | S | * | * | trans | -70.4 | 74.2 | 174.8 | 31.8 | -34.9 | 0 | 0 | 0 | 109.6 | E80 | P78-E80 PolarHBondContact O-N 3.21Š| ||
| 79 | S | 40.9 | Very low | 49.1 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 73% | 0.726 | S | S | * | * | trans | -84.9 | 93.7 | 169.9 | -149 | 0 | 0 | 0 | 0 | 106.6 | G77 L81 | G77-S79 PolarHBondContact O-N 2.81Å; S79-L81 PolarHBondContact O-N 3.21Å | ||
| 80 | E | 36.8 | Very low | 46.6 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 84.4 | 173 | -170 | 178.4 | 179.1 | 0 | 0 | 109 | P78 V82 | P78-E80 PolarHBondContact O-N 3.21Å; E80-V82 HydrophobicContact CG-CG2 4.38Å; E80-V82 PolarHBondContact O-N 3.12Å | ||
| 81 | L | 39.7 | Very low | 44 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -75.3 | 100.7 | 165.4 | -78.1 | 168.8 | 0 | 0 | 0 | 108.3 | S79 T83 | S79-L81 PolarHBondContact O-N 3.21Å; L81-T83 PolarHBondContact O-N 2.94Å; L81-T83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | V | 32.1 | Very low | 41.5 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -67.6 | 103.9 | 168.1 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | E80 A84 | E80-V82 HydrophobicContact CG-CG2 4.38Å; E80-V82 PolarHBondContact O-N 3.12Å; V82-A84 PolarHBondContact O-N 3.36Å | ||
| 83 | T | 32.2 | Very low | 39.2 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -81 | 109.3 | 173.8 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | L81 G85 | L81-T83 PolarHBondContact O-N 2.94Å; L81-T83 VanDerWaalsContact O-N 3.08Å; T83-G85 PolarHBondContact O-N 3.26Å | ||
| 84 | A | 32.2 | Very low | 37.1 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 126.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | V82 | V82-A84 PolarHBondContact O-N 3.36Š|
| 85 | G | 33.5 | Very low | 35 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 148.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T83 | T83-G85 PolarHBondContact O-N 3.26Š|
| 86 | P | 34.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 133.8 | -177.2 | 30.3 | -31.4 | 0 | 0 | 0 | 112.6 | ||
| 87 | S | 30.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 130.9 | 158.5 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 88 | H | 31.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 133.5 | 177.6 | -73.7 | -86.1 | 0 | 0 | 0 | 115.2 | ||
| 89 | F | 28.1 | Very low | 31.7 | Very low | 215 Ų | 215 | 142.8 Ų | 142.8 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -144.5 | 132.9 | 134.9 | -97.1 | -78.2 | 0 | 0 | 0 | 111 | ||||
| 90 | N | 30.6 | Very low | 31.3 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -71.6 | 136.8 | 178.9 | -82.8 | -29.1 | 0 | 0 | 0 | 112.9 | ||||
| 91 | R | 27 | Very low | 31 | Very low | 252 Ų | 252 | 146.4 Ų | 146.4 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | -175.8 | 129 | 124.1 | -133.7 | 169.7 | 177.5 | -179.2 | -2.3 | 110.4 | |||||
| 92 | G | 26 | Very low | 30.6 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | trans | -90.2 | 173.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 93 | A | 28 | Very low | 30.3 | Very low | 91 Ų | 91 | 149.9 Ų | 149.9 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -171.7 | 131.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 94 | S | 28.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | 46.9 | 105.1 | 146.4 | 47.7 | 0 | 0 | 0 | 0 | 121.3 | I96 | S94-I96 PolarHBondContact O-N 3.26Š| ||
| 95 | D | 26.5 | Very low | 29.9 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | trans | -56.2 | 120.3 | 150.8 | -101.7 | -35.7 | 0 | 0 | 0 | 111 | ||||
| 96 | I | 30.1 | Very low | 29.5 | Very low | 141 Ų | 141 | 159.2 Ų | 159.2 | 72% | 0.723 | 84% | 0.836 | S | S | * | * | trans | -111.9 | 124.6 | 153.1 | -68.4 | 176.8 | 0 | 0 | 0 | 105.7 | S94 | S94-I96 PolarHBondContact O-N 3.26Š| ||
| 97 | R | 35.2 | Very low | 29.1 | Very low | 219 Ų | 219 | 158.4 Ų | 158.4 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | trans | -67.6 | 135 | 172.8 | -62.6 | 166.8 | 173.3 | 179.2 | -7 | 108 | ||||
| 98 | D | 30.8 | Very low | 29 | Very low | 157 Ų | 157 | 159.2 Ų | 159.2 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | trans | -130.6 | 133.9 | 156.1 | -81.1 | -43.2 | 0 | 0 | 0 | 109.5 | ||||
| 99 | D | 30.5 | Very low | 29.3 | Very low | 160 Ų | 160 | 160.3 Ų | 160.3 | 86% | 0.856 | 83% | 0.826 | S | S | * | * | trans | -64.2 | 150.7 | -178 | -83 | -48.8 | 0 | 0 | 0 | 111.7 | E101 | D99-E101 PolarHBondContact O-N 3.33Š| ||
| 100 | D | 32.7 | Very low | 29.7 | Very low | 165 Ų | 165 | 157 Ų | 157 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -61.1 | 116.5 | 168.5 | -66.4 | -64.7 | 0 | 0 | 0 | 110.6 | ||||
| 101 | E | 31.7 | Very low | 30 | Very low | 186 Ų | 186 | 156 Ų | 156 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -115.1 | 120 | 155.6 | -92.7 | -170.8 | 166.7 | 0 | 0 | 109.5 | D99 N103 | D99-E101 PolarHBondContact O-N 3.33Å; E101-N103 PolarHBondContact O-N 3.36Å | ||
| 102 | E | 31.8 | Very low | 31 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -63.8 | 105.1 | 176.3 | -63 | 174.5 | 162 | 0 | 0 | 109.9 | E104 | E102-E104 PolarHBondContact O-N 3.15Š| ||
| 103 | N | 25.5 | Very low | 32 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -85.6 | 97.6 | 166 | -92.3 | -41.8 | 0 | 0 | 0 | 109.2 | E101 V105 | E101-N103 PolarHBondContact O-N 3.36Å; N103-V105 PolarHBondContact O-N 3.14Å | ||
| 104 | E | 27.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 153.7 Ų | 153.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -58.2 | 127.5 | 160.1 | -74.9 | -174.4 | 145.5 | 0 | 0 | 109.3 | E102 E106 | E102-E104 PolarHBondContact O-N 3.15Å; E104-E106 PolarHBondContact O-N 3.3Å | ||
| 105 | V | 26.7 | Very low | 33.9 | Very low | 140 Ų | 140 | 150.5 Ų | 150.5 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | -75.6 | 88.9 | 177.4 | -168.6 | 0 | 0 | 0 | 0 | 108.1 | N103 T107 | N103-V105 PolarHBondContact O-N 3.14Å; V105-T107 PolarHBondContact O-N 3.48Å | ||
| 106 | E | 26.9 | Very low | 35.1 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -70.1 | 108.4 | 162.2 | -80.2 | -166.1 | 155.8 | 0 | 0 | 108.2 | E104 V108 | E104-E106 PolarHBondContact O-N 3.3Å; E106-V108 PolarHBondContact O-N 3.11Å | ||
| 107 | T | 25.5 | Very low | 37 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | trans | -52.2 | 111 | 159.9 | 50.8 | 0 | 0 | 0 | 0 | 107.5 | V105 R109 | V105-T107 PolarHBondContact O-N 3.48Å; T107-R109 VanDerWaalsContact C-N 3.25Å; T107-R109 PolarHBondContact O-N 2.93Å | ||
| 108 | V | 28.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | -63.4 | 90.2 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | E106 Q110 | E106-V108 PolarHBondContact O-N 3.11Å; V108-Q110 HydrophobicContact CG1-CG 4.35Å; V108-Q110 PolarHBondContact O-N 3.13Å | ||
| 109 | R | 36 | Very low | 41.3 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | -69 | 108.8 | 161.4 | -70.3 | -179.1 | 175.4 | 173.7 | -0.6 | 105.4 | T107 D111 | T107-R109 VanDerWaalsContact C-N 3.25Å; T107-R109 PolarHBondContact O-N 2.93Å; R109-D111 PolarHBondContact O-N 3.18Å | ||
| 110 | Q | 38.3 | Very low | 43.7 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | trans | -69.7 | 80.6 | 165 | -71.6 | -173.7 | -3.1 | 0 | 0 | 107.5 | V108 I112 | V108-Q110 HydrophobicContact CG1-CG 4.35Å; V108-Q110 PolarHBondContact O-N 3.13Å; Q110-I112 PolarHBondContact O-N 3.21Å; Q110-I112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | D | 36 | Very low | 46 | Very low | 134 Ų | 134 | 132.1 Ų | 132.1 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | trans | -60.1 | 115.6 | 176.8 | -73.5 | -26.6 | 0 | 0 | 0 | 108.4 | R109 | R109-D111 PolarHBondContact O-N 3.18Š| ||
| 112 | I | 48.9 | Very low | 48.2 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 43% | 0.426 | 66% | 0.663 | S | S | . | * | trans | -59 | 123.9 | 172.8 | -59.1 | 168.8 | 0 | 0 | 0 | 106.1 | Q110 E114 | Q110-I112 PolarHBondContact O-N 3.21Å; Q110-I112 VanDerWaalsContact O-N 3.1Å; I112-E114 PolarHBondContact O-N 2.87Å; I112-E114 VanDerWaalsContact O-N 3.15Å | ||
| 113 | P | 45.8 | Very low | 50.7 | Low | 89 Ų | 89 | 118.2 Ų | 118.2 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | trans | -57.6 | 127.8 | 173.5 | 23.6 | -31.9 | 0 | 0 | 0 | 107.8 | A115 | P113-A115 PolarHBondContact O-N 3.15Š| ||
| 114 | E | 42.6 | Very low | 53.5 | Low | 202 Ų | 202 | 112.7 Ų | 112.7 | 94% | 0.944 | 60% | 0.601 | S | S | * | * | trans | -60.4 | 62.9 | -174.6 | -65.1 | -177.6 | 156.3 | 0 | 0 | 113.2 | I112 | I112-E114 PolarHBondContact O-N 2.87Å; I112-E114 VanDerWaalsContact O-N 3.15Å | ||
| 115 | A | 53.4 | Low | 55.9 | Low | 39 Ų | 39 | 106.3 Ų | 106.3 | 32% | 0.322 | 58% | 0.579 | S | S | . | * | trans | -86.8 | 113.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | V16 P113 I117 | V16-A115 HydrophobicContact CG2-CB 3.88Å; P113-A115 PolarHBondContact O-N 3.15Å; A115-I117 VanDerWaalsContact C-N 3.28Å; A115-I117 HydrophobicContact CB-CD1 4.48Å; A115-I117 HydrophobicContact CB-CG1 4.4Å; A115-I117 WeakPolarHBondContact O-CG1 3.34Å; A115-I117 PolarHBondContact O-N 3.11Å | ||
| 116 | T | 52.7 | Low | 58.6 | Low | 122 Ų | 122 | 100.9 Ų | 100.9 | 75% | 0.748 | 55% | 0.547 | S | S | * | . | trans | -61 | 88.4 | 178.2 | -42.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 117 | I | 69.6 | Low | 61.1 | Low | 65 Ų | 65 | 102.8 Ų | 102.8 | 33% | 0.333 | 56% | 0.556 | S | S | . | * | trans | -95.7 | 112.9 | 178.5 | -65.4 | 161.4 | 0 | 0 | 0 | 107.1 | V16 F18 A115 L119 | V16-I117 HydrophobicContact CB-CD1 4.09Å; V16-I117 HydrophobicContact CG1-CD1 4.39Å; V16-I117 HydrophobicContact CG2-CD1 4.02Å; F18-I117 HydrophobicContact CE2-CD1 3.86Å; F18-I117 HydrophobicContact CZ-CD1 3.76Å; A115-I117 VanDerWaalsContact C-N 3.28Å; A115-I117 HydrophobicContact CB-CD1 4.48Å; A115-I117 HydrophobicContact CB-CG1 4.4Å; A115-I117 WeakPolarHBondContact O-CG1 3.34Å; A115-I117 PolarHBondContact O-N 3.11Å; I117-L119 VanDerWaalsContact C-N 3.3Å; I117-L119 HydrophobicContact CG2-CB 4.15Å; I117-L119 HydrophobicContact CG2-CD1 3.57Å; I117-L119 HydrophobicContact CG2-CG 3.58Å; I117-L119 PolarHBondContact O-N 3.03Å | ||
| 118 | H | 76.3 | Confident | 63.6 | Low | 174 Ų | 174 | 104 Ų | 104 | 81% | 0.806 | 55% | 0.552 | S | S | * | * | trans | -82.8 | 75.6 | 175.2 | -67.1 | -64.7 | 0 | 0 | 0 | 110.5 | ||||
| 119 | L | 80.1 | Confident | 66 | Low | 78 Ų | 78 | 102.6 Ų | 102.6 | 41% | 0.408 | 54% | 0.537 | S | S | . | . | trans | -114.9 | 147 | 168.6 | -70.9 | 173.5 | 0 | 0 | 0 | 109.6 | L40 I117 F124 | L40-L119 HydrophobicContact CD1-CD1 3.99Å; I117-L119 VanDerWaalsContact C-N 3.3Å; I117-L119 HydrophobicContact CG2-CB 4.15Å; I117-L119 HydrophobicContact CG2-CD1 3.57Å; I117-L119 HydrophobicContact CG2-CG 3.58Å; I117-L119 PolarHBondContact O-N 3.03Å; L119-F124 HydrophobicContact CB-CE2 3.85Å; L119-F124 HydrophobicContact CB-CZ 4.15Å; L119-F124 HydrophobicContact CD1-CZ 4.03Å | ||
| 120 | P | 81.6 | Confident | 68.1 | Low | 84 Ų | 84 | 95.8 Ų | 95.8 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | trans | -64.7 | 140 | 175.6 | 26.5 | -31.9 | 0 | 0 | 0 | 110.2 | S122 V123 | P120-S122 PolarHBondContact O-N 3.14Å; P120-S122 VanDerWaalsContact O-N 3.08Å; P120-V123 HydrophobicContact CG-CG2 3.82Å; P120-V123 WeakPolarHBondContact O-CB 3.39Å; P120-V123 PolarHBondContact O-N 2.74Å | ||
| 121 | S | 79.4 | Confident | 70 | Confident | 102 Ų | 102 | 95.8 Ų | 95.8 | 71% | 0.713 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -55.8 | -29 | -178.4 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | V123 F124 | S121-V123 PolarHBondContact O-N 3.42Å; S121-V123 VanDerWaalsContact O-N 3.12Å; S121-F124 PolarHBondContact O-N 3.45Å |
| 122 | S | 78.9 | Confident | 72.1 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 30% | 0.301 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -58.9 | -21.6 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 114.1 | R23 P36 P120 F124 | R23-S122 PolarHBondContact NH2-O 2.98Å; P36-S122 WeakPolarHBondContact CD-OG 3.34Å; P120-S122 PolarHBondContact O-N 3.14Å; P120-S122 VanDerWaalsContact O-N 3.08Å; S122-F124 VanDerWaalsContact C-N 3.29Å |
| 123 | V | 83.4 | Confident | 73.6 | Confident | 39 Ų | 39 | 89 Ų | 89 | 24% | 0.236 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -79.8 | -15.8 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 112 | V39 L40 P120 S121 | V39-V123 WeakPolarHBondContact CA-O 3.33Å; L40-V123 HydrophobicContact CB-CG1 4.31Å; L40-V123 HydrophobicContact CD1-CG1 3.46Å; L40-V123 VanDerWaalsContact CD1-CG1 3.46Å; L40-V123 HydrophobicContact CG-CG1 3.6Å; L40-V123 PolarHBondContact N-O 2.83Å; P120-V123 HydrophobicContact CG-CG2 3.82Å; P120-V123 WeakPolarHBondContact O-CB 3.39Å; P120-V123 PolarHBondContact O-N 2.74Å; S121-V123 PolarHBondContact O-N 3.42Å; S121-V123 VanDerWaalsContact O-N 3.12Å |
| 124 | F | 84.2 | Confident | 75.3 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 19% | 0.189 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -98.3 | 167.4 | 175.4 | -59.8 | -72.5 | 0 | 0 | 0 | 110.9 | F18 V39 L40 L119 S121 S122 | F18-F124 HydrophobicContact CD1-CE1 4.31Å; F18-F124 AromaticContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CE1-CE1 3.72Å; F18-F124 HydrophobicContact CZ-CE1 4.12Å; V39-F124 VanDerWaalsContact CG1-C 3.49Å; L40-F124 HydrophobicContact CB-CD1 4.21Å; L40-F124 HydrophobicContact CB-CE1 4.14Å; L119-F124 HydrophobicContact CB-CE2 3.85Å; L119-F124 HydrophobicContact CB-CZ 4.15Å; L119-F124 HydrophobicContact CD1-CZ 4.03Å; S121-F124 PolarHBondContact O-N 3.45Å; S122-F124 VanDerWaalsContact C-N 3.29Å |
| 125 | A | 79.9 | Confident | 76.9 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 149.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V39 | V39-A125 HydrophobicContact CG1-CB 4.03Š|
| 126 | S | 82.4 | Confident | 78 | Confident | 27 Ų | 27 | 88 Ų | 88 | 19% | 0.189 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 150.4 | 172.9 | 53.2 | 0 | 0 | 0 | 0 | 111 | D27 F128 | D27-S126 WeakPolarHBondContact OD1-CB 3.37Å; D27-S126 PolarHBondContact OD1-OG 3.27Å; D27-S126 VanDerWaalsContact OD1-OG 3.08Å; S126-F128 WeakPolarHBondContact CB-O 3.3Å; S126-F128 PolarHBondContact O-N 2.92Å; S126-F128 PolarHBondContact OG-O 3.25Å |
| 127 | E | 79.3 | Confident | 79.1 | Confident | 211 Ų | 211 | 87.3 Ų | 87.3 | 99% | 0.986 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -65 | -17.7 | 175.3 | -65.9 | 179.6 | 179.9 | 0 | 0 | 112.7 | ||
| 128 | F | 77.5 | Confident | 79 | Confident | 135 Ų | 135 | 87.9 Ų | 87.9 | 59% | 0.592 | 48% | 0.477 | S | S | * | . | trans | -129.1 | 132.3 | -179.3 | 179 | -99.9 | 0 | 0 | 0 | 110.4 | P28 S126 E130 | P28-F128 WeakPolarHBondContact CD-O 3.5Å; S126-F128 WeakPolarHBondContact CB-O 3.3Å; S126-F128 PolarHBondContact O-N 2.92Å; S126-F128 PolarHBondContact OG-O 3.25Å; F128-E130 HydrophobicContact CE1-CG 4.07Å | ||
| 129 | E | 79.7 | Confident | 78.4 | Confident | 101 Ų | 101 | 82.4 Ų | 82.4 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | trans | -108.2 | 137.7 | 169.7 | -64.9 | -168.5 | 168.7 | 0 | 0 | 109.4 | R26 | R26-E129 HydrophobicContact CB-CB 4.29Š| ||
| 130 | E | 80 | Confident | 77.6 | Confident | 51 Ų | 51 | 84.2 Ų | 84.2 | 24% | 0.238 | 48% | 0.478 | C | S | . | . | trans | -77.6 | 144.9 | 176.1 | -57.9 | -174 | 131.4 | 0 | 0 | 111.7 | R26 F128 V132 K137 | R26-E130 WeakPolarHBondContact CB-O 3.43Å; R26-E130 WeakPolarHBondContact CD-O 3.18Å; R26-E130 WeakPolarHBondContact CG-O 3.43Å; R26-E130 PolarHBondContact O-N 3.13Å; F128-E130 HydrophobicContact CE1-CG 4.07Å; E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.78Å; E130-K137 IonicContact OE1-NZ 2.83Å; E130-K137 PolarHBondContact OE1-NZ 3.15Å; E130-K137 WeakPolarHBondContact OE2-CE 3.28Å; E130-K137 IonicContact OE2-NZ 2.64Å; E130-K137 PolarHBondContact OE2-NZ 2.72Å | ||
| 131 | D | 79.6 | Confident | 76.9 | Confident | 147 Ų | 147 | 85.9 Ų | 85.9 | 79% | 0.786 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -61.2 | -35.3 | -179.3 | -63.2 | -28.2 | 0 | 0 | 0 | 113 | ||
| 132 | V | 78.9 | Confident | 75.8 | Confident | 71 Ų | 71 | 87.1 Ų | 87.1 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -116.6 | 122.4 | -177.7 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | E130 N136 K137 | E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.78Å; V132-N136 HydrophobicContact CG1-CB 3.59Å; V132-K137 HydrophobicContact CB-CG 4.34Å; V132-K137 HydrophobicContact CG1-CG 3.98Å; V132-K137 WeakPolarHBondContact O-CE 3.39Å |
| 133 | G | 80.9 | Confident | 75.2 | Confident | 4 Ų | 4 | 87.3 Ų | 87.3 | 4% | 0.041 | 50% | 0.504 | C | S | . | . | trans | -64.8 | 151.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q25 L135 N136 K137 | Q25-G133 CarbonylContact O-C 3.5Å; Q25-G133 VanDerWaalsContact O-CA 3.32Å; Q25-G133 WeakPolarHBondContact O-CA 3.2Å; G133-L135 PolarHBondContact O-N 3.16Å; G133-L135 VanDerWaalsContact O-N 3.11Å; G133-N136 WeakPolarHBondContact O-CB 3.42Å; G133-N136 PolarHBondContact O-N 3.26Å; G133-K137 PolarHBondContact O-N 3.22Å; G133-K137 VanDerWaalsContact O-N 3.14Å | ||
| 134 | L | 80.3 | Confident | 74.2 | Confident | 84 Ų | 84 | 91.2 Ų | 91.2 | 44% | 0.44 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -50.2 | -40 | -175.6 | -174.5 | 65.3 | 0 | 0 | 0 | 113.6 | Q25 A31 N136 K137 A138 | Q25-L134 PolarHBondContact O-N 3.22Å; A31-L134 HydrophobicContact CB-CD2 4.04Å; L134-N136 PolarHBondContact O-N 3.4Å; L134-K137 PolarHBondContact O-N 3.45Å; L134-A138 PolarHBondContact O-N 3.18Å; L134-A138 VanDerWaalsContact O-N 3.15Å |
| 135 | L | 77.3 | Confident | 73.7 | Confident | 112 Ų | 112 | 95.3 Ų | 95.3 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.2 | -37.4 | 179.7 | -172.3 | 65.1 | 0 | 0 | 0 | 112.4 | G133 K137 A138 A139 | G133-L135 PolarHBondContact O-N 3.16Å; G133-L135 VanDerWaalsContact O-N 3.11Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-A138 PolarHBondContact O-N 3.11Å; L135-A139 PolarHBondContact O-N 3.25Å |
| 136 | N | 77.1 | Confident | 73.2 | Confident | 111 Ų | 111 | 101.2 Ų | 101.2 | 59% | 0.594 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.1 | -26.4 | 178.3 | -66.4 | -17.1 | 0 | 0 | 0 | 111.7 | V132 G133 L134 | V132-N136 HydrophobicContact CG1-CB 3.59Å; G133-N136 WeakPolarHBondContact O-CB 3.42Å; G133-N136 PolarHBondContact O-N 3.26Å; L134-N136 PolarHBondContact O-N 3.4Å |
| 137 | K | 75.8 | Confident | 73.1 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 47% | 0.47 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.4 | -32.4 | 171 | -67.6 | -178 | 172.4 | -178.3 | 0 | 112.8 | E130 V132 G133 L134 L135 | E130-K137 IonicContact OE1-NZ 2.83Å; E130-K137 PolarHBondContact OE1-NZ 3.15Å; E130-K137 WeakPolarHBondContact OE2-CE 3.28Å; E130-K137 IonicContact OE2-NZ 2.64Å; E130-K137 PolarHBondContact OE2-NZ 2.72Å; V132-K137 HydrophobicContact CB-CG 4.34Å; V132-K137 HydrophobicContact CG1-CG 3.98Å; V132-K137 WeakPolarHBondContact O-CE 3.39Å; G133-K137 PolarHBondContact O-N 3.22Å; G133-K137 VanDerWaalsContact O-N 3.14Å; L134-K137 PolarHBondContact O-N 3.45Å; L135-K137 VanDerWaalsContact C-N 3.34Å |
| 138 | A | 67.6 | Low | 73.1 | Confident | 78 Ų | 78 | 97.9 Ų | 97.9 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -83 | -11.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L134 L135 P140 | L134-A138 PolarHBondContact O-N 3.18Å; L134-A138 VanDerWaalsContact O-N 3.15Å; L135-A138 PolarHBondContact O-N 3.11Å; A138-P140 WeakPolarHBondContact O-CD 3.5Å |
| 139 | A | 63.7 | Low | 73.3 | Confident | 58 Ų | 58 | 96.3 Ų | 96.3 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -69 | 119.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | L135 V141 | L135-A139 PolarHBondContact O-N 3.25Å; A139-V141 PolarHBondContact O-N 3.16Å |
| 140 | P | 63.2 | Low | 73.4 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 75% | 0.753 | 56% | 0.561 | S | S | * | * | trans | -55.8 | 132.4 | 170.7 | 22.6 | -30.4 | 0 | 0 | 0 | 107.8 | A138 S142 | A138-P140 WeakPolarHBondContact O-CD 3.5Å; P140-S142 PolarHBondContact O-N 3.3Å | ||
| 141 | V | 65.4 | Low | 73.4 | Confident | 119 Ų | 119 | 98.7 Ų | 98.7 | 72% | 0.721 | 58% | 0.576 | S | S | * | * | trans | -48.3 | 112.2 | 178.4 | 177.5 | 0 | 0 | 0 | 0 | 107.6 | A139 G143 | A139-V141 PolarHBondContact O-N 3.16Å; V141-G143 PolarHBondContact O-N 3.31Å | ||
| 142 | S | 57 | Low | 73.5 | Confident | 128 Ų | 128 | 95.3 Ų | 95.3 | 90% | 0.895 | 56% | 0.557 | S | S | * | * | trans | -75.6 | 113.6 | -176.5 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | P140 | P140-S142 PolarHBondContact O-N 3.3Š| ||
| 143 | G | 65.9 | Low | 73.7 | Confident | 47 Ų | 47 | 94.6 Ų | 94.6 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | S | Bend | trans | 136 | 168 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V141 R145 | V141-G143 PolarHBondContact O-N 3.31Å; G143-R145 PolarHBondContact O-N 3.47Å |
| 144 | P | 63.6 | Low | 73.7 | Confident | 121 Ų | 121 | 95.6 Ų | 95.6 | 79% | 0.786 | 56% | 0.56 | S | S | * | * | trans | -63.4 | 122.4 | 177.4 | 24.2 | -30.9 | 0 | 0 | 0 | 110.3 | L146 | P144-L146 PolarHBondContact O-N 2.96Å; P144-L146 VanDerWaalsContact O-N 3.15Å | ||
| 145 | R | 72.4 | Confident | 73.8 | Confident | 130 Ų | 130 | 93.5 Ų | 93.5 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | trans | -83.6 | 83.5 | 177.7 | -75.5 | -166.4 | 69 | -176 | -0.5 | 109.9 | G143 D147 M148 | G143-R145 PolarHBondContact O-N 3.47Å; R145-D147 VanDerWaalsContact C-OD1 3.25Å; R145-D147 VanDerWaalsContact CA-OD1 3.28Å; R145-D147 WeakPolarHBondContact CA-OD1 3.12Å; R145-D147 WeakPolarHBondContact CB-OD1 3.22Å; R145-D147 IonicContact CZ-OD2 2.71Å; R145-D147 IonicContact NE-OD1 3.65Å; R145-D147 PolarHBondContact NE-OD1 3.05Å; R145-D147 IonicContact NE-OD2 3.29Å; R145-D147 PolarHBondContact NE-OD2 3.42Å; R145-D147 IonicContact NH2-OD2 2.78Å; R145-D147 PolarHBondContact NH2-OD2 3.26Å; R145-D147 PolarHBondContact O-N 3.01Å; R145-D147 VanDerWaalsContact O-N 3.14Å; R145-M148 HydrophobicContact CB-CB 4.35Å; R145-M148 HydrophobicContact CB-CG 3.69Å; R145-M148 WeakPolarHBondContact O-CB 3.31Å; R145-M148 PolarHBondContact O-N 3.38Å | ||
| 146 | L | 70.1 | Confident | 74 | Confident | 166 Ų | 166 | 94.2 Ų | 94.2 | 87% | 0.869 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -11.1 | 177.8 | -63 | 170.4 | 0 | 0 | 0 | 113.3 | P144 M148 | P144-L146 PolarHBondContact O-N 2.96Å; P144-L146 VanDerWaalsContact O-N 3.15Å; L146-M148 VanDerWaalsContact C-N 3.35Å |
| 147 | D | 79.8 | Confident | 74.2 | Confident | 112 Ų | 112 | 94.7 Ų | 94.7 | 60% | 0.599 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -16.5 | 172.6 | 60.1 | -50.3 | 0 | 0 | 0 | 113.4 | R145 | R145-D147 VanDerWaalsContact C-OD1 3.25Å; R145-D147 VanDerWaalsContact CA-OD1 3.28Å; R145-D147 WeakPolarHBondContact CA-OD1 3.12Å; R145-D147 WeakPolarHBondContact CB-OD1 3.22Å; R145-D147 IonicContact CZ-OD2 2.71Å; R145-D147 IonicContact NE-OD1 3.65Å; R145-D147 PolarHBondContact NE-OD1 3.05Å; R145-D147 IonicContact NE-OD2 3.29Å; R145-D147 PolarHBondContact NE-OD2 3.42Å; R145-D147 IonicContact NH2-OD2 2.78Å; R145-D147 PolarHBondContact NH2-OD2 3.26Å; R145-D147 PolarHBondContact O-N 3.01Å; R145-D147 VanDerWaalsContact O-N 3.14Å |
| 148 | M | 79.6 | Confident | 74.2 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 28% | 0.276 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -89 | 136 | 179 | -63.7 | -71.2 | -61.2 | 0 | 0 | 109.7 | R145 L146 I152 V153 | R145-M148 HydrophobicContact CB-CB 4.35Å; R145-M148 HydrophobicContact CB-CG 3.69Å; R145-M148 WeakPolarHBondContact O-CB 3.31Å; R145-M148 PolarHBondContact O-N 3.38Å; L146-M148 VanDerWaalsContact C-N 3.35Å; M148-I152 HydrophobicContact CE-CB 4.33Å; M148-I152 HydrophobicContact CE-CG2 3.51Å; M148-V153 HydrophobicContact CB-CG2 3.84Å |
| 149 | D | 82.3 | Confident | 74.7 | Confident | 102 Ų | 102 | 101 Ų | 101 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | trans | -60.4 | 139.1 | 177.2 | -69 | -38.3 | 0 | 0 | 0 | 110.7 | D151 I152 V153 | D149-D151 PolarHBondContact O-N 3.36Å; D149-D151 VanDerWaalsContact O-N 3.15Å; D149-I152 HydrophobicContact CB-CD1 4Å; D149-I152 HydrophobicContact CB-CG1 4.12Å; D149-I152 WeakPolarHBondContact O-CB 3.35Å; D149-I152 PolarHBondContact O-N 3.27Å; D149-V153 PolarHBondContact O-N 2.98Å; D149-V153 VanDerWaalsContact O-N 3.11Å | ||
| 150 | P | 81.6 | Confident | 75.5 | Confident | 100 Ų | 100 | 100.1 Ų | 100.1 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -52.5 | -37.4 | -178.9 | -27.5 | 34.4 | 0 | 0 | 0 | 113.6 | I152 V153 A154 | P150-I152 VanDerWaalsContact C-N 3.34Å; P150-I152 PolarHBondContact O-N 2.71Å; P150-V153 PolarHBondContact O-N 2.94Å; P150-A154 WeakPolarHBondContact O-CB 3.19Å; P150-A154 PolarHBondContact O-N 3.23Å |
| 151 | D | 80 | Confident | 76.4 | Confident | 103 Ų | 103 | 98.7 Ų | 98.7 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.6 | -35 | -179.9 | -58.8 | -13.1 | 0 | 0 | 0 | 111.9 | D149 A155 F160 | D149-D151 PolarHBondContact O-N 3.36Å; D149-D151 VanDerWaalsContact O-N 3.15Å; D151-A155 VanDerWaalsContact O-CB 3.29Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 3.16Å; D151-F160 HydrophobicContact CB-CE2 4.06Å |
| 152 | I | 81.8 | Confident | 76.9 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 39% | 0.39 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71 | -38 | 176 | -59.1 | 173.9 | 0 | 0 | 0 | 109.9 | M148 D149 P150 A155 L156 | M148-I152 HydrophobicContact CE-CB 4.33Å; M148-I152 HydrophobicContact CE-CG2 3.51Å; D149-I152 HydrophobicContact CB-CD1 4Å; D149-I152 HydrophobicContact CB-CG1 4.12Å; D149-I152 WeakPolarHBondContact O-CB 3.35Å; D149-I152 PolarHBondContact O-N 3.27Å; P150-I152 VanDerWaalsContact C-N 3.34Å; P150-I152 PolarHBondContact O-N 2.71Å; I152-A155 PolarHBondContact O-N 3.16Å; I152-L156 HydrophobicContact CG2-CD1 4.28Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 3.49Å |
| 153 | V | 82.3 | Confident | 77.9 | Confident | 56 Ų | 56 | 101.8 Ų | 101.8 | 34% | 0.339 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 175.1 | 178 | 0 | 0 | 0 | 0 | 110.2 | M148 D149 P150 A155 L156 D157 | M148-V153 HydrophobicContact CB-CG2 3.84Å; D149-V153 PolarHBondContact O-N 2.98Å; D149-V153 VanDerWaalsContact O-N 3.11Å; P150-V153 PolarHBondContact O-N 2.94Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.26Å; V153-L156 PolarHBondContact O-N 3.41Å; V153-L156 VanDerWaalsContact O-N 3.14Å; V153-D157 PolarHBondContact O-N 3.03Å |
| 154 | A | 81.5 | Confident | 78.6 | Confident | 25 Ų | 25 | 102.3 Ų | 102.3 | 21% | 0.207 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P150 D157 E158 D159 F160 | P150-A154 WeakPolarHBondContact O-CB 3.19Å; P150-A154 PolarHBondContact O-N 3.23Å; A154-D157 PolarHBondContact O-N 3Å; A154-E158 PolarHBondContact O-N 2.94Å; A154-D159 PolarHBondContact O-N 3.45Å; A154-F160 HydrophobicContact CB-CB 4.39Å; A154-F160 HydrophobicContact CB-CD2 4.34Å; A154-F160 PolarHBondContact O-N 3.22Å |
| 155 | A | 81.6 | Confident | 79.3 | Confident | 39 Ų | 39 | 101 Ų | 101 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D151 I152 V153 D157 F160 | D151-A155 VanDerWaalsContact O-CB 3.29Å; D151-A155 WeakPolarHBondContact O-CB 3.47Å; D151-A155 PolarHBondContact O-N 3.16Å; I152-A155 PolarHBondContact O-N 3.16Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.26Å; A155-D157 VanDerWaalsContact C-N 3.34Å; A155-F160 HydrophobicContact CB-CB 4.03Å; A155-F160 HydrophobicContact CB-CD2 4.46Å; A155-F160 HydrophobicContact CB-CG 4.26Å |
| 156 | L | 82.6 | Confident | 79.4 | Confident | 127 Ų | 127 | 101.8 Ų | 101.8 | 67% | 0.665 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.1 | -30.6 | 174.8 | -76 | 171.3 | 0 | 0 | 0 | 112.6 | I152 V153 E158 | I152-L156 HydrophobicContact CG2-CD1 4.28Å; I152-L156 WeakPolarHBondContact O-CG 3.49Å; I152-L156 PolarHBondContact O-N 3.49Å; V153-L156 PolarHBondContact O-N 3.41Å; V153-L156 VanDerWaalsContact O-N 3.14Å; L156-E158 VanDerWaalsContact C-N 3.31Å |
| 157 | D | 80.5 | Confident | 79.6 | Confident | 121 Ų | 121 | 96.6 Ų | 96.6 | 65% | 0.647 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.6 | 179 | -72.3 | -19 | 0 | 0 | 0 | 113.3 | V153 A154 A155 D159 | V153-D157 PolarHBondContact O-N 3.03Å; A154-D157 PolarHBondContact O-N 3Å; A155-D157 VanDerWaalsContact C-N 3.34Å; D157-D159 PolarHBondContact O-N 2.98Å; D157-D159 VanDerWaalsContact O-N 3.12Å |
| 158 | E | 76.4 | Confident | 79.3 | Confident | 182 Ų | 182 | 97.5 Ų | 97.5 | 85% | 0.85 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 16.7 | -177.6 | -55.9 | -179.8 | -176.7 | 0 | 0 | 114.2 | A154 L156 | A154-E158 PolarHBondContact O-N 2.94Å; L156-E158 VanDerWaalsContact C-N 3.31Å |
| 159 | D | 77.9 | Confident | 79.2 | Confident | 137 Ų | 137 | 100.6 Ų | 100.6 | 73% | 0.733 | 54% | 0.536 | S | S | * | . | trans | -98.1 | 7 | -179.7 | -160.9 | 26.4 | 0 | 0 | 0 | 112.4 | A154 D157 | A154-D159 PolarHBondContact O-N 3.45Å; D157-D159 PolarHBondContact O-N 2.98Å; D157-D159 VanDerWaalsContact O-N 3.12Å | ||
| 160 | F | 79.9 | Confident | 79 | Confident | 40 Ų | 40 | 102 Ų | 102 | 18% | 0.175 | 54% | 0.54 | C | S | . | . | trans | -80.4 | 119 | 177 | -169.1 | -94 | 0 | 0 | 0 | 110.9 | D151 A154 A155 Y162 N167 | D151-F160 HydrophobicContact CB-CE2 4.06Å; A154-F160 HydrophobicContact CB-CB 4.39Å; A154-F160 HydrophobicContact CB-CD2 4.34Å; A154-F160 PolarHBondContact O-N 3.22Å; A155-F160 HydrophobicContact CB-CB 4.03Å; A155-F160 HydrophobicContact CB-CD2 4.46Å; A155-F160 HydrophobicContact CB-CG 4.26Å; F160-Y162 AromaticContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD2 4.33Å; F160-Y162 AromaticContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE2 4.24Å; F160-Y162 HydrophobicContact CD1-CG 4.04Å; F160-Y162 AromaticContact CD1-CZ 3.84Å; F160-Y162 AromaticContact CE1-CD1 3.85Å; F160-Y162 HydrophobicContact CE1-CD1 3.85Å; F160-Y162 AromaticContact CE1-CE1 3.94Å; F160-Y162 HydrophobicContact CE1-CE1 3.94Å; F160-Y162 WeakPolarHBondContact O-CD2 3.02Å; F160-Y162 PolarHBondContact O-N 2.92Å; F160-N167 HydrophobicContact CE1-CB 4.02Å; F160-N167 HydrophobicContact CE2-CB 4.44Å; F160-N167 HydrophobicContact CZ-CB 3.69Å | ||
| 161 | D | 81.3 | Confident | 78.8 | Confident | 86 Ų | 86 | 105.2 Ų | 105.2 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | trans | -79.9 | 99.3 | 177.7 | -166.8 | -13 | 0 | 0 | 0 | 110.6 | D163 D164 N167 | D161-D163 PolarHBondContact O-N 2.94Å; D161-D163 WeakPolarHBondContact OD1-CB 3.29Å; D161-D163 PolarHBondContact OD1-N 3.42Å; D161-D164 HydrophobicContact CB-CB 4.46Å; D161-N167 WeakPolarHBondContact O-CB 3.22Å; D161-N167 PolarHBondContact O-ND2 3.33Å | ||
| 162 | Y | 77.5 | Confident | 78.8 | Confident | 158 Ų | 158 | 105.2 Ų | 105.2 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -12.7 | 177.5 | -64.1 | -78.5 | 0 | 0 | 0 | 113.8 | F160 | F160-Y162 AromaticContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD1 3.63Å; F160-Y162 HydrophobicContact CD1-CD2 4.33Å; F160-Y162 AromaticContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE1 3.51Å; F160-Y162 HydrophobicContact CD1-CE2 4.24Å; F160-Y162 HydrophobicContact CD1-CG 4.04Å; F160-Y162 AromaticContact CD1-CZ 3.84Å; F160-Y162 AromaticContact CE1-CD1 3.85Å; F160-Y162 HydrophobicContact CE1-CD1 3.85Å; F160-Y162 AromaticContact CE1-CE1 3.94Å; F160-Y162 HydrophobicContact CE1-CE1 3.94Å; F160-Y162 WeakPolarHBondContact O-CD2 3.02Å; F160-Y162 PolarHBondContact O-N 2.92Å |
| 163 | D | 78.3 | Confident | 78.9 | Confident | 154 Ų | 154 | 106.3 Ų | 106.3 | 82% | 0.824 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -8.2 | -177.5 | -68.1 | -38 | 0 | 0 | 0 | 112.6 | D161 | D161-D163 PolarHBondContact O-N 2.94Å; D161-D163 WeakPolarHBondContact OD1-CB 3.29Å; D161-D163 PolarHBondContact OD1-N 3.42Å |
| 164 | D | 80.3 | Confident | 78.7 | Confident | 57 Ų | 57 | 109.2 Ų | 109.2 | 31% | 0.305 | 57% | 0.566 | S | S | . | * | trans | -73.8 | 121.4 | 174.4 | -165.5 | -23.8 | 0 | 0 | 0 | 110.5 | D161 D166 N167 | D161-D164 HydrophobicContact CB-CB 4.46Å; D164-D166 PolarHBondContact O-N 3.2Å; D164-D166 VanDerWaalsContact O-N 3.14Å; D164-D166 PolarHBondContact OD1-N 2.88Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å; D164-N167 HydrophobicContact CB-CB 4.09Å; D164-N167 WeakPolarHBondContact CB-ND2 3.4Å; D164-N167 PolarHBondContact O-N 3.1Å | ||
| 165 | P | 77 | Confident | 78.5 | Confident | 95 Ų | 95 | 113.6 Ų | 113.6 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -59 | -23.8 | 178.5 | 25 | -36.5 | 0 | 0 | 0 | 113.9 | ||
| 166 | D | 74.9 | Confident | 78.3 | Confident | 145 Ų | 145 | 118.4 Ų | 118.4 | 78% | 0.775 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -81.8 | -17.6 | 179 | -67 | -20.4 | 0 | 0 | 0 | 112.5 | D164 | D164-D166 PolarHBondContact O-N 3.2Å; D164-D166 VanDerWaalsContact O-N 3.14Å; D164-D166 PolarHBondContact OD1-N 2.88Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å |
| 167 | N | 75 | Confident | 78 | Confident | 58 Ų | 58 | 115.1 Ų | 115.1 | 31% | 0.31 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -90.8 | -2.6 | 176.4 | -69.8 | -19 | 0 | 0 | 0 | 113 | F160 D161 D164 | F160-N167 HydrophobicContact CE1-CB 4.02Å; F160-N167 HydrophobicContact CE2-CB 4.44Å; F160-N167 HydrophobicContact CZ-CB 3.69Å; D161-N167 WeakPolarHBondContact O-CB 3.22Å; D161-N167 PolarHBondContact O-ND2 3.33Å; D164-N167 HydrophobicContact CB-CB 4.09Å; D164-N167 WeakPolarHBondContact CB-ND2 3.4Å; D164-N167 PolarHBondContact O-N 3.1Å |
| 168 | M | 73.3 | Confident | 77.7 | Confident | 131 Ų | 131 | 115 Ų | 115 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -79.3 | 131.1 | 175.3 | -65.3 | -144.4 | -59.9 | 0 | 0 | 110.8 | E170 | M168-E170 PolarHBondContact O-N 3.1Š|
| 169 | L | 76.3 | Confident | 77.1 | Confident | 121 Ų | 121 | 116.3 Ų | 116.3 | 63% | 0.634 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.7 | 173.2 | -66 | 171.7 | 0 | 0 | 0 | 109.8 | F173 | L169-F173 HydrophobicContact CB-CB 4.27Å; L169-F173 HydrophobicContact CB-CG 4.38Å; L169-F173 HydrophobicContact CD1-CD1 4.04Å; L169-F173 HydrophobicContact CD1-CE1 4.13Å; L169-F173 HydrophobicContact CD1-CG 4.35Å; L169-F173 HydrophobicContact CD2-CD2 3.97Å; L169-F173 HydrophobicContact CD2-CE2 4.11Å; L169-F173 HydrophobicContact CD2-CG 4.26Å |
| 170 | E | 78.7 | Confident | 75.7 | Confident | 131 Ų | 131 | 115 Ų | 115 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 141.8 | 172.7 | -62.6 | 173 | 177.1 | 0 | 0 | 110.7 | M168 D172 F173 | M168-E170 PolarHBondContact O-N 3.1Å; E170-D172 PolarHBondContact O-N 3.45Å; E170-F173 WeakPolarHBondContact O-CB 3.42Å; E170-F173 PolarHBondContact O-N 3.23Å |
| 171 | D | 78.4 | Confident | 74.4 | Confident | 168 Ų | 168 | 123.8 Ų | 123.8 | 90% | 0.898 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -22.6 | 179.8 | -73.1 | -23.9 | 0 | 0 | 0 | 113.1 | ||
| 172 | D | 79.9 | Confident | 72.8 | Confident | 102 Ų | 102 | 123.1 Ų | 123.1 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | 1 | 177.5 | -70.6 | -27.5 | 0 | 0 | 0 | 114 | E170 I174 L175 K176 | E170-D172 PolarHBondContact O-N 3.45Å; D172-I174 VanDerWaalsContact C-N 3.31Å; D172-I174 PolarHBondContact O-N 3.46Å; D172-L175 WeakPolarHBondContact O-CB 3.27Å; D172-L175 PolarHBondContact O-N 3.44Å; D172-K176 WeakPolarHBondContact O-CB 3.49Å; D172-K176 PolarHBondContact O-N 3.23Å |
| 173 | F | 83.6 | Confident | 70.9 | Confident | 100 Ų | 100 | 120.1 Ų | 120.1 | 44% | 0.439 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -54.6 | -44.1 | -177.7 | 172.2 | -101.2 | 0 | 0 | 0 | 112.5 | L169 E170 L175 K176 A177 | L169-F173 HydrophobicContact CB-CB 4.27Å; L169-F173 HydrophobicContact CB-CG 4.38Å; L169-F173 HydrophobicContact CD1-CD1 4.04Å; L169-F173 HydrophobicContact CD1-CE1 4.13Å; L169-F173 HydrophobicContact CD1-CG 4.35Å; L169-F173 HydrophobicContact CD2-CD2 3.97Å; L169-F173 HydrophobicContact CD2-CE2 4.11Å; L169-F173 HydrophobicContact CD2-CG 4.26Å; E170-F173 WeakPolarHBondContact O-CB 3.42Å; E170-F173 PolarHBondContact O-N 3.23Å; F173-L175 VanDerWaalsContact C-N 3.32Å; F173-L175 PolarHBondContact O-N 3.35Å; F173-K176 PolarHBondContact O-N 2.7Å; F173-A177 VanDerWaalsContact O-CB 3.27Å; F173-A177 WeakPolarHBondContact O-CB 3.38Å; F173-A177 PolarHBondContact O-N 3.38Å |
| 174 | I | 77.8 | Confident | 69.3 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.3 | -36.2 | 179.9 | -62.7 | -176.1 | 0 | 0 | 0 | 111 | D172 N178 | D172-I174 VanDerWaalsContact C-N 3.31Å; D172-I174 PolarHBondContact O-N 3.46Å; I174-N178 WeakPolarHBondContact CG2-ND2 3.42Å; I174-N178 WeakPolarHBondContact O-CB 3.45Å; I174-N178 PolarHBondContact O-N 2.96Å; I174-N178 VanDerWaalsContact O-N 3.08Å; I174-N178 PolarHBondContact O-ND2 3.48Å |
| 175 | L | 77.1 | Confident | 67.3 | Low | 117 Ų | 117 | 124 Ų | 124 | 61% | 0.613 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.1 | -40.7 | 175.4 | -83.4 | 140.6 | 0 | 0 | 0 | 111.3 | D172 F173 R179 | D172-L175 WeakPolarHBondContact O-CB 3.27Å; D172-L175 PolarHBondContact O-N 3.44Å; F173-L175 VanDerWaalsContact C-N 3.32Å; F173-L175 PolarHBondContact O-N 3.35Å; L175-R179 WeakPolarHBondContact O-CG 3.21Å; L175-R179 PolarHBondContact O-N 3.35Å |
| 176 | K | 76.9 | Confident | 65.7 | Low | 139 Ų | 139 | 123.2 Ų | 123.2 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.4 | -40.3 | 179.9 | -160 | 173.2 | -174.1 | 177 | 0 | 112.4 | D172 F173 R179 | D172-K176 WeakPolarHBondContact O-CB 3.49Å; D172-K176 PolarHBondContact O-N 3.23Å; F173-K176 PolarHBondContact O-N 2.7Å; K176-R179 WeakPolarHBondContact O-CB 3.28Å; K176-R179 PolarHBondContact O-N 3.46Å |
| 177 | A | 76.8 | Confident | 63.9 | Low | 59 Ų | 59 | 125.9 Ų | 125.9 | 49% | 0.488 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -68.9 | -35.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F173 R179 | F173-A177 VanDerWaalsContact O-CB 3.27Å; F173-A177 WeakPolarHBondContact O-CB 3.38Å; F173-A177 PolarHBondContact O-N 3.38Å; A177-R179 VanDerWaalsContact C-N 3.34Å |
| 178 | N | 74.6 | Confident | 62.1 | Low | 117 Ų | 117 | 126.9 Ų | 126.9 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80.2 | -11.3 | 175.1 | -72 | -35.5 | 0 | 0 | 0 | 113.8 | I174 T180 | I174-N178 WeakPolarHBondContact CG2-ND2 3.42Å; I174-N178 WeakPolarHBondContact O-CB 3.45Å; I174-N178 PolarHBondContact O-N 2.96Å; I174-N178 VanDerWaalsContact O-N 3.08Å; I174-N178 PolarHBondContact O-ND2 3.48Å; N178-T180 PolarHBondContact O-N 3.1Å |
| 179 | R | 64.2 | Low | 60.3 | Low | 211 Ų | 211 | 126.5 Ų | 126.5 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | trans | -70.5 | 62.4 | 163.2 | -80.6 | -176.5 | -179.6 | -146 | 2.4 | 109.7 | L175 K176 A177 K181 | L175-R179 WeakPolarHBondContact O-CG 3.21Å; L175-R179 PolarHBondContact O-N 3.35Å; K176-R179 WeakPolarHBondContact O-CB 3.28Å; K176-R179 PolarHBondContact O-N 3.46Å; A177-R179 VanDerWaalsContact C-N 3.34Å; R179-K181 PolarHBondContact O-N 3.26Å | ||
| 180 | T | 47 | Very low | 58.5 | Low | 108 Ų | 108 | 128 Ų | 128 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | trans | -55.8 | 133.7 | 164 | 52.4 | 0 | 0 | 0 | 0 | 108.2 | N178 G182 | N178-T180 PolarHBondContact O-N 3.1Å; T180-G182 VanDerWaalsContact C-N 3.26Å; T180-G182 PolarHBondContact O-N 3.32Å | ||
| 181 | K | 52.9 | Low | 56.5 | Low | 225 Ų | 225 | 129.3 Ų | 129.3 | 98% | 0.978 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -51.1 | 82.4 | 174.3 | -75.8 | 170.9 | 169.9 | 170 | 0 | 111.1 | R179 | R179-K181 PolarHBondContact O-N 3.26Š|
| 182 | G | 47.8 | Very low | 54.7 | Low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | 176.2 | 18.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | T180 | T180-G182 VanDerWaalsContact C-N 3.26Å; T180-G182 PolarHBondContact O-N 3.32Å | ||
| 183 | A | 38.2 | Very low | 52.7 | Low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | trans | -129.8 | 96.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 184 | V | 44.3 | Very low | 50.4 | Low | 135 Ų | 135 | 133.7 Ų | 133.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -64.3 | 127.5 | 156.6 | -92.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 185 | D | 39 | Very low | 48.4 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | -171 | 97.4 | 150.7 | -84.7 | -32.2 | 0 | 0 | 0 | 105.3 | ||||
| 186 | A | 43 | Very low | 46.4 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | 65.3 | 125.3 | 83.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 187 | E | 37.8 | Very low | 44.6 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | 84.1 | 119 | 165.8 | -23.8 | -140.4 | -170.4 | 0 | 0 | 114 | ||||
| 188 | G | 37.3 | Very low | 42.6 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | cis | 144.6 | 113.8 | 11 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 189 | S | 34 | Very low | 40.9 | Very low | 123 Ų | 123 | 148 Ų | 148 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -167.3 | 120.7 | 155.3 | -169 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 190 | D | 38.6 | Very low | 39.7 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -46.2 | 138.3 | 162.4 | -82.4 | -37.8 | 0 | 0 | 0 | 111.1 | ||||
| 191 | D | 37.7 | Very low | 39.6 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | -143.2 | 123.7 | 119.9 | -139.2 | -2.1 | 0 | 0 | 0 | 108.7 | |||||
| 192 | D | 39.8 | Very low | 38.8 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -55.2 | 140.1 | 165.7 | -103.8 | -35.8 | 0 | 0 | 0 | 108.7 | ||||
| 193 | D | 38.7 | Very low | 38.4 | Very low | 149 Ų | 149 | 147.4 Ų | 147.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -175.7 | 102.8 | 133.4 | -86.2 | -26.3 | 0 | 0 | 0 | 110.3 | ||||
| 194 | E | 35.8 | Very low | 38.5 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | 62.2 | 90.9 | 131.6 | -152.3 | 158.7 | -152 | 0 | 0 | 118.8 | E196 | E194-E196 PolarHBondContact O-N 3.18Š| ||
| 195 | W | 35.2 | Very low | 38.2 | Very low | 255 Ų | 255 | 152 Ų | 152 | 97% | 0.966 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 110 | 160 | -67.1 | 87.9 | 0 | 0 | 0 | 110.3 | ||||
| 196 | E | 34.5 | Very low | 38.2 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -105.7 | 109.7 | 157.8 | -152.5 | 173.8 | -150.3 | 0 | 0 | 108.4 | E194 T198 | E194-E196 PolarHBondContact O-N 3.18Å; E196-T198 PolarHBondContact O-N 3.19Å | ||
| 197 | D | 38.8 | Very low | 38.1 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -50.7 | 125.2 | 169.7 | -85.2 | -36 | 0 | 0 | 0 | 110.3 | ||||
| 198 | T | 34.9 | Very low | 38 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | -143.4 | 101 | 149.4 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | E196 E200 | E196-T198 PolarHBondContact O-N 3.19Å; T198-E200 PolarHBondContact O-N 3.5Å | ||
| 199 | D | 39.8 | Very low | 37.9 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -60.3 | 115 | 160.6 | -54 | -49.2 | 0 | 0 | 0 | 108.8 | ||||
| 200 | E | 38.7 | Very low | 37.8 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -147.1 | 104.8 | 157 | -159.8 | 146.6 | -160.4 | 0 | 0 | 111.3 | T198 G202 | T198-E200 PolarHBondContact O-N 3.5Å; E200-G202 PolarHBondContact O-N 2.99Å | ||
| 201 | E | 45.6 | Very low | 37.6 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -55.2 | 122.9 | 164 | -63.2 | -87.8 | 176.4 | 0 | 0 | 109.6 | ||||
| 202 | G | 35.7 | Very low | 37.5 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -155.9 | 75.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E200 F204 | E200-G202 PolarHBondContact O-N 2.99Å; G202-F204 PolarHBondContact O-N 3.42Å | ||
| 203 | D | 39.5 | Very low | 37.3 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | -63.5 | 109 | 163.6 | -131 | -2 | 0 | 0 | 0 | 108.3 | ||||
| 204 | F | 40 | Very low | 37.2 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -109.5 | 81.5 | 175.5 | -160.1 | -99.2 | 0 | 0 | 0 | 110.5 | G202 S206 | G202-F204 PolarHBondContact O-N 3.42Å; F204-S206 PolarHBondContact O-N 2.86Å | ||
| 205 | D | 37.3 | Very low | 37.6 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -72.1 | 102.8 | 158.6 | -84.3 | -39.2 | 0 | 0 | 0 | 108.8 | D207 | D205-D207 PolarHBondContact O-N 3.22Š| ||
| 206 | S | 40.7 | Very low | 37.5 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -87 | 88.1 | 176.8 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | F204 G208 | F204-S206 PolarHBondContact O-N 2.86Å; S206-G208 PolarHBondContact O-N 3.15Å | ||
| 207 | D | 39.2 | Very low | 37.7 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -68.2 | 100.8 | 161.1 | -176.9 | 28.8 | 0 | 0 | 0 | 109.9 | D205 G209 | D205-D207 PolarHBondContact O-N 3.22Å; D207-G209 PolarHBondContact O-N 2.57Å; D207-G209 VanDerWaalsContact O-N 3.12Å | ||
| 208 | G | 36.6 | Very low | 37.4 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -77.6 | 87.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S206 F210 | S206-G208 PolarHBondContact O-N 3.15Å; G208-F210 PolarHBondContact O-N 3.46Å | ||
| 209 | G | 34.5 | Very low | 37.2 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | -65.1 | 121.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D207 S211 | D207-G209 PolarHBondContact O-N 2.57Å; D207-G209 VanDerWaalsContact O-N 3.12Å; G209-S211 PolarHBondContact O-N 3.42Å; G209-S211 VanDerWaalsContact O-N 3.15Å | ||
| 210 | F | 31.6 | Very low | 37.4 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 90.9 | 168.4 | -167.1 | -101 | 0 | 0 | 0 | 109.6 | G208 | G208-F210 PolarHBondContact O-N 3.46Š| ||
| 211 | S | 36.1 | Very low | 37.2 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 133.5 | 168.1 | 58.1 | 0 | 0 | 0 | 0 | 110.4 | G209 | G209-S211 PolarHBondContact O-N 3.42Å; G209-S211 VanDerWaalsContact O-N 3.15Å |
| 212 | G | 34.8 | Very low | 37 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 152.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E214 | G212-E214 PolarHBondContact O-N 2.84Š|
| 213 | D | 36.2 | Very low | 37.6 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73 | 119.4 | -176.2 | 88.3 | -73.4 | 0 | 0 | 0 | 111.5 | ||
| 214 | E | 36.2 | Very low | 37.8 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -113.3 | 110.6 | 150.6 | -73.9 | -164.2 | 166.3 | 0 | 0 | 107.5 | G212 L216 | G212-E214 PolarHBondContact O-N 2.84Å; E214-L216 PolarHBondContact O-N 3.15Å | ||
| 215 | Q | 44.5 | Very low | 37.7 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -14.9 | 113.4 | 159.2 | -155.7 | 115.2 | 73.9 | 0 | 0 | 115.8 | ||||
| 216 | L | 33 | Very low | 38.2 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -138 | 117.8 | 154.2 | -158 | 100.1 | 0 | 0 | 0 | 110.5 | E214 | E214-L216 PolarHBondContact O-N 3.15Š| ||
| 217 | E | 38.9 | Very low | 38.4 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -68.4 | 137.2 | 168 | -75.3 | -179.9 | 135.5 | 0 | 0 | 111.1 | ||||
| 218 | G | 32.3 | Very low | 38.7 | Very low | 83 Ų | 83 | 132 Ų | 132 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | 131.8 | 103.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 219 | G | 31 | Very low | 39.2 | Very low | 82 Ų | 82 | 135.8 Ų | 135.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | 108.1 | 95.6 | 141 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 220 | G | 42.3 | Very low | 40 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 66.5 | 84.8 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 221 | H | 35.3 | Very low | 40.9 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | trans | -153.2 | 109.2 | 145.1 | -120.4 | -66.3 | 0 | 0 | 0 | 109.3 | G223 | H221-G223 PolarHBondContact O-N 3.03Š| ||
| 222 | D | 41.8 | Very low | 41.7 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 90% | 0.904 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 37.5 | -176.3 | 55.2 | -30.5 | 0 | 0 | 0 | 113.1 | ||
| 223 | G | 47.8 | Very low | 42.5 | Very low | 52 Ų | 52 | 138 Ų | 138 | 54% | 0.536 | 75% | 0.745 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.5 | -14.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | H221 | H221-G223 PolarHBondContact O-N 3.03Š|
| 224 | E | 43.3 | Very low | 43.6 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -117.3 | 13.8 | -163.5 | -64.8 | -173.9 | 171.9 | 0 | 0 | 115.5 | ||
| 225 | F | 38.3 | Very low | 44.7 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | trans | -108.2 | 4 | -177.9 | -78.5 | -79.6 | 0 | 0 | 0 | 115.5 | F227 M228 | F225-F227 PolarHBondContact O-N 3.11Å; F225-M228 HydrophobicContact CD1-SD 4.12Å; F225-M228 HydrophobicContact CE1-SD 4.17Å | ||
| 226 | L | 47 | Very low | 45.2 | Very low | 147 Ų | 147 | 124.7 Ų | 124.7 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -19.2 | -178.1 | -72.1 | 172.3 | 0 | 0 | 0 | 114 | ||
| 227 | F | 46.1 | Very low | 46.3 | Very low | 175 Ų | 175 | 118.9 Ų | 118.9 | 77% | 0.768 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -3 | -177.9 | -64.6 | -76.2 | 0 | 0 | 0 | 114.4 | F225 | F225-F227 PolarHBondContact O-N 3.11Š|
| 228 | M | 46.2 | Very low | 47.2 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 68% | 0.675 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -85.2 | -17.4 | -174.8 | -153 | 155.1 | 136.7 | 0 | 0 | 113.1 | F225 | F225-M228 HydrophobicContact CD1-SD 4.12Å; F225-M228 HydrophobicContact CE1-SD 4.17Å |
| 229 | N | 46.5 | Very low | 48.4 | Very low | 152 Ų | 152 | 120.9 Ų | 120.9 | 81% | 0.813 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -98.9 | -8 | -179.1 | -66.7 | -27.5 | 0 | 0 | 0 | 113.8 | ||
| 230 | E | 51.6 | Low | 49.1 | Very low | 121 Ų | 121 | 119.5 Ų | 119.5 | 57% | 0.565 | 60% | 0.603 | S | S | * | * | trans | -105.5 | 74.3 | 173.2 | -80.5 | 176.4 | 160.8 | 0 | 0 | 108.7 | T232 | E230-T232 HydrophobicContact CB-CG2 4.49Å; E230-T232 PolarHBondContact O-N 3.1Å | ||
| 231 | E | 50.6 | Low | 49.5 | Very low | 160 Ų | 160 | 124.7 Ų | 124.7 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | trans | -65.8 | 78.2 | 168.6 | -72.9 | -170.8 | 138.9 | 0 | 0 | 109.7 | K233 | E231-K233 PolarHBondContact O-N 3.39Š| ||
| 232 | T | 51.5 | Low | 50.1 | Low | 49 Ų | 49 | 123.8 Ų | 123.8 | 30% | 0.301 | 62% | 0.617 | S | S | . | * | trans | -76.2 | 18.9 | 172.2 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | E230 S234 V245 R248 | E230-T232 HydrophobicContact CB-CG2 4.49Å; E230-T232 PolarHBondContact O-N 3.1Å; T232-S234 PolarHBondContact O-N 3.45Å; T232-V245 VanDerWaalsContact OG1-CG1 3.31Å; T232-V245 WeakPolarHBondContact OG1-CG1 3.46Å; T232-R248 PolarHBondContact O-NH2 3.14Å; T232-R248 VanDerWaalsContact O-NH2 3.15Å | ||
| 233 | K | 53.2 | Low | 50.3 | Low | 156 Ų | 156 | 118.7 Ų | 118.7 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | trans | -72.1 | 76.6 | 178.4 | -69.8 | 177.6 | -178.7 | 166.8 | 0 | 109.1 | E231 | E231-K233 PolarHBondContact O-N 3.39Š| ||
| 234 | S | 59.3 | Low | 50.3 | Low | 11 Ų | 11 | 121.3 Ų | 121.3 | 8% | 0.077 | 61% | 0.605 | C | S | . | * | trans | -68.5 | 148.2 | 166 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | T232 F236 T237 E260 | T232-S234 PolarHBondContact O-N 3.45Å; S234-F236 PolarHBondContact O-N 3.33Å; S234-T237 PolarHBondContact O-N 2.94Å; S234-T237 PolarHBondContact O-OG1 3.31Å; S234-E260 WeakPolarHBondContact CA-OE1 3.15Å; S234-E260 WeakPolarHBondContact CB-OE1 3.41Å; S234-E260 PolarHBondContact OG-OE1 3.01Å | ||
| 235 | R | 57.7 | Low | 51 | Low | 114 Ų | 114 | 118 Ų | 118 | 43% | 0.43 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -48.7 | -26.8 | 175.4 | -63.5 | 174.2 | 69.4 | 78.6 | -7.6 | 112.6 | Y239 D267 | R235-Y239 VanDerWaalsContact O-CD2 3.22Å; R235-Y239 WeakPolarHBondContact O-CD2 3.31Å; R235-Y239 WeakPolarHBondContact O-CE2 3.49Å; R235-D267 IonicContact CZ-OD1 2.57Å; R235-D267 IonicContact CZ-OD2 3.23Å; R235-D267 IonicContact NE-OD1 3.94Å; R235-D267 VanDerWaalsContact NH2-CG 3.28Å; R235-D267 IonicContact NH2-OD1 3.91Å; R235-D267 PolarHBondContact NH2-OD1 3.32Å; R235-D267 IonicContact NH2-OD2 3.42Å; R235-D267 PolarHBondContact NH2-OD2 3.02Å |
| 236 | F | 55 | Low | 52.1 | Low | 114 Ų | 114 | 118.3 Ų | 118.3 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -77.6 | -27.1 | -180 | -146.9 | -98.4 | 0 | 0 | 0 | 114.5 | S234 E238 Y239 F259 | S234-F236 PolarHBondContact O-N 3.33Å; F236-E238 PolarHBondContact O-N 2.84Å; F236-Y239 PolarHBondContact O-N 3.47Å; F236-F259 HydrophobicContact CD2-CE1 4.23Å; F236-F259 HydrophobicContact CE2-CE1 4.48Å |
| 237 | T | 57.4 | Low | 52.9 | Low | 48 Ų | 48 | 122.1 Ų | 122.1 | 29% | 0.294 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -68.5 | -15.3 | -178.7 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | S234 | S234-T237 PolarHBondContact O-N 2.94Å; S234-T237 PolarHBondContact O-OG1 3.31Å |
| 238 | E | 56.4 | Low | 54 | Low | 158 Ų | 158 | 117.2 Ų | 117.2 | 74% | 0.738 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -84.1 | -18.6 | 177.1 | -64 | -169.2 | 163.9 | 0 | 0 | 113.8 | F236 | F236-E238 PolarHBondContact O-N 2.84Š|
| 239 | Y | 57.6 | Low | 55.4 | Low | 156 Ų | 156 | 114.6 Ų | 114.6 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -17.8 | -176.3 | -63.7 | -74.9 | 0 | 0 | 0 | 114.1 | R235 F236 | R235-Y239 VanDerWaalsContact O-CD2 3.22Å; R235-Y239 WeakPolarHBondContact O-CD2 3.31Å; R235-Y239 WeakPolarHBondContact O-CE2 3.49Å; F236-Y239 PolarHBondContact O-N 3.47Å |
| 240 | S | 47.1 | Very low | 56.9 | Low | 53 Ų | 53 | 115.2 Ų | 115.2 | 37% | 0.371 | 57% | 0.569 | S | S | . | * | trans | -118 | 108.4 | 178.3 | -99.3 | 0 | 0 | 0 | 0 | 111.8 | T242 S243 | S240-T242 PolarHBondContact O-N 3.3Å; S240-T242 VanDerWaalsContact O-N 3.13Å; S240-S243 WeakPolarHBondContact CB-OG 3.26Å; S240-S243 PolarHBondContact O-OG 3.14Å | ||
| 241 | L | 50 | Low | 58.1 | Low | 184 Ų | 184 | 116.6 Ų | 116.6 | 96% | 0.963 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 0.6 | 173.7 | -71.8 | 160.9 | 0 | 0 | 0 | 113.6 | ||
| 242 | T | 47.9 | Very low | 59.2 | Low | 133 Ų | 133 | 112.8 Ų | 112.8 | 82% | 0.816 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -3.1 | -176.2 | 39.5 | 0 | 0 | 0 | 0 | 114.4 | S240 S244 | S240-T242 PolarHBondContact O-N 3.3Å; S240-T242 VanDerWaalsContact O-N 3.13Å; T242-S244 PolarHBondContact O-N 2.86Å |
| 243 | S | 45.3 | Very low | 60.5 | Low | 62 Ų | 62 | 112.3 Ų | 112.3 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | trans | -88 | 105.8 | 177.7 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | S240 | S240-S243 WeakPolarHBondContact CB-OG 3.26Å; S240-S243 PolarHBondContact O-OG 3.14Å | ||
| 244 | S | 49.6 | Very low | 61.9 | Low | 107 Ų | 107 | 109.1 Ų | 109.1 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | trans | -61.8 | 133.3 | 171.4 | -166.5 | 0 | 0 | 0 | 0 | 110.2 | T242 M246 | T242-S244 PolarHBondContact O-N 2.86Å; S244-M246 PolarHBondContact O-N 3.21Å | ||
| 245 | V | 56.6 | Low | 63 | Low | 95 Ų | 95 | 113.5 Ų | 113.5 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | trans | -74.1 | 90.2 | 176 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | T232 | T232-V245 VanDerWaalsContact OG1-CG1 3.31Å; T232-V245 WeakPolarHBondContact OG1-CG1 3.46Å | ||
| 246 | M | 61.1 | Low | 64.1 | Low | 152 Ų | 152 | 110.3 Ų | 110.3 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | trans | -74.9 | 149.1 | 168.1 | -60.7 | -156.1 | -56.1 | 0 | 0 | 110 | S244 R248 | S244-M246 PolarHBondContact O-N 3.21Å; M246-R248 PolarHBondContact O-N 3.38Å | ||
| 247 | R | 63.8 | Low | 65.4 | Low | 227 Ų | 227 | 108.8 Ų | 108.8 | 86% | 0.857 | 56% | 0.559 | S | S | * | * | trans | -62.4 | 107.8 | 173.7 | -163.6 | 176.6 | 83.9 | 92.1 | -1.2 | 108.8 | ||||
| 248 | R | 69.1 | Low | 66.7 | Low | 73 Ų | 73 | 115 Ų | 115 | 28% | 0.275 | 58% | 0.577 | S | S | . | * | trans | -76.8 | 138.6 | 179.4 | -68.7 | -174.5 | -85.6 | 136.5 | -7.9 | 109.8 | T232 M246 L252 D256 | T232-R248 PolarHBondContact O-NH2 3.14Å; T232-R248 VanDerWaalsContact O-NH2 3.15Å; M246-R248 PolarHBondContact O-N 3.38Å; R248-L252 HydrophobicContact CB-CB 4.21Å; R248-D256 WeakPolarHBondContact CD-OD2 3.49Å; R248-D256 IonicContact CZ-OD2 3.53Å; R248-D256 VanDerWaalsContact CZ-OD2 3.23Å; R248-D256 IonicContact NE-OD2 2.78Å; R248-D256 PolarHBondContact NE-OD2 3.14Å; R248-D256 IonicContact NH1-OD2 3.45Å; R248-D256 PolarHBondContact NH1-OD2 3.45Å | ||
| 249 | N | 75.9 | Confident | 67.8 | Low | 82 Ų | 82 | 111.8 Ų | 111.8 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | trans | -70 | 164.1 | 171.4 | 72.1 | 21.6 | 0 | 0 | 0 | 110.8 | Q251 L252 S253 | N249-Q251 PolarHBondContact O-N 3.15Å; N249-Q251 VanDerWaalsContact O-N 3.16Å; N249-Q251 PolarHBondContact OD1-N 3.34Å; N249-L252 PolarHBondContact O-N 3.01Å; N249-L252 VanDerWaalsContact O-N 3.16Å; N249-L252 VanDerWaalsContact OD1-CB 3.22Å; N249-L252 WeakPolarHBondContact OD1-CB 3.41Å; N249-L252 WeakPolarHBondContact OD1-CD1 3.46Å; N249-L252 WeakPolarHBondContact OD1-CG 3.38Å; N249-L252 PolarHBondContact OD1-N 3.1Å; N249-S253 PolarHBondContact O-N 3.05Å | ||
| 250 | E | 77.8 | Confident | 68.9 | Low | 165 Ų | 165 | 107 Ų | 107 | 77% | 0.771 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.7 | -25.8 | -178.1 | -169.1 | -179.7 | 176.6 | 0 | 0 | 112.8 | S253 L254 | E250-S253 WeakPolarHBondContact CA-OG 3.41Å; E250-S253 PolarHBondContact O-OG 2.81Å; E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.47Å; E250-L254 PolarHBondContact O-N 2.99Å |
| 251 | Q | 77.2 | Confident | 70.6 | Confident | 149 Ų | 149 | 111 Ų | 111 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.4 | -35.9 | 178.2 | -66 | -177.7 | -11.6 | 0 | 0 | 112.5 | N249 L254 L255 | N249-Q251 PolarHBondContact O-N 3.15Å; N249-Q251 VanDerWaalsContact O-N 3.16Å; N249-Q251 PolarHBondContact OD1-N 3.34Å; Q251-L254 PolarHBondContact O-N 3.03Å; Q251-L255 PolarHBondContact O-N 3.17Å |
| 252 | L | 73.4 | Confident | 72 | Confident | 80 Ų | 80 | 107.2 Ų | 107.2 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 175.8 | -71.8 | 167.8 | 0 | 0 | 0 | 110.5 | R248 N249 L254 L255 D256 | R248-L252 HydrophobicContact CB-CB 4.21Å; N249-L252 PolarHBondContact O-N 3.01Å; N249-L252 VanDerWaalsContact O-N 3.16Å; N249-L252 VanDerWaalsContact OD1-CB 3.22Å; N249-L252 WeakPolarHBondContact OD1-CB 3.41Å; N249-L252 WeakPolarHBondContact OD1-CD1 3.46Å; N249-L252 WeakPolarHBondContact OD1-CG 3.38Å; N249-L252 PolarHBondContact OD1-N 3.1Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 3.17Å; L252-L255 HydrophobicContact CD2-CD1 4.35Å; L252-L255 WeakPolarHBondContact O-CB 3.4Å; L252-L255 PolarHBondContact O-N 3.39Å; L252-L255 VanDerWaalsContact O-N 3.1Å; L252-D256 PolarHBondContact O-N 3.1Å; L252-D256 VanDerWaalsContact O-OD2 3.11Å |
| 253 | S | 79.1 | Confident | 73.2 | Confident | 39 Ų | 39 | 105.9 Ų | 105.9 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 172.2 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | N249 E250 L255 D256 D257 | N249-S253 PolarHBondContact O-N 3.05Å; E250-S253 WeakPolarHBondContact CA-OG 3.41Å; E250-S253 PolarHBondContact O-OG 2.81Å; S253-L255 VanDerWaalsContact C-N 3.33Å; S253-L255 PolarHBondContact O-N 3.48Å; S253-D256 PolarHBondContact O-N 3.5Å; S253-D257 VanDerWaalsContact O-CG 3.31Å; S253-D257 PolarHBondContact O-N 2.9Å |
| 254 | L | 82.8 | Confident | 74.6 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -31.6 | 174.1 | -71.7 | 172.6 | 0 | 0 | 0 | 113.6 | E250 Q251 L252 R258 | E250-L254 VanDerWaalsContact O-CG 3.27Å; E250-L254 WeakPolarHBondContact O-CG 3.47Å; E250-L254 PolarHBondContact O-N 2.99Å; Q251-L254 PolarHBondContact O-N 3.03Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 3.17Å; L254-R258 VanDerWaalsContact O-CG 3.28Å; L254-R258 WeakPolarHBondContact O-CG 3.49Å; L254-R258 PolarHBondContact O-N 2.96Å |
| 255 | L | 81.8 | Confident | 75.5 | Confident | 102 Ų | 102 | 110.7 Ų | 110.7 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 174.5 | -73.5 | 178.1 | 0 | 0 | 0 | 110.9 | Q251 L252 S253 R258 F259 | Q251-L255 PolarHBondContact O-N 3.17Å; L252-L255 HydrophobicContact CD2-CD1 4.35Å; L252-L255 WeakPolarHBondContact O-CB 3.4Å; L252-L255 PolarHBondContact O-N 3.39Å; L252-L255 VanDerWaalsContact O-N 3.1Å; S253-L255 VanDerWaalsContact C-N 3.33Å; S253-L255 PolarHBondContact O-N 3.48Å; L255-R258 PolarHBondContact O-N 3.48Å; L255-F259 WeakPolarHBondContact O-CB 3.46Å; L255-F259 PolarHBondContact O-N 3.02Å |
| 256 | D | 81 | Confident | 75.9 | Confident | 48 Ų | 48 | 111 Ų | 111 | 26% | 0.257 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 176.9 | -66.7 | -40.1 | 0 | 0 | 0 | 111.2 | R248 L252 S253 R258 F259 E260 | R248-D256 WeakPolarHBondContact CD-OD2 3.49Å; R248-D256 IonicContact CZ-OD2 3.53Å; R248-D256 VanDerWaalsContact CZ-OD2 3.23Å; R248-D256 IonicContact NE-OD2 2.78Å; R248-D256 PolarHBondContact NE-OD2 3.14Å; R248-D256 IonicContact NH1-OD2 3.45Å; R248-D256 PolarHBondContact NH1-OD2 3.45Å; L252-D256 PolarHBondContact O-N 3.1Å; L252-D256 VanDerWaalsContact O-OD2 3.11Å; S253-D256 PolarHBondContact O-N 3.5Å; D256-R258 VanDerWaalsContact C-N 3.28Å; D256-R258 PolarHBondContact O-N 3.36Å; D256-F259 PolarHBondContact O-N 2.93Å; D256-F259 VanDerWaalsContact O-N 3.14Å; D256-E260 WeakPolarHBondContact O-CG 3.28Å; D256-E260 PolarHBondContact O-N 3.24Å |
| 257 | D | 82 | Confident | 76 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 173.5 | -71.7 | -10.7 | 0 | 0 | 0 | 113.1 | S253 K261 | S253-D257 VanDerWaalsContact O-CG 3.31Å; S253-D257 PolarHBondContact O-N 2.9Å; D257-K261 WeakPolarHBondContact O-CG 3.25Å; D257-K261 PolarHBondContact O-N 3.31Å |
| 258 | R | 84.9 | Confident | 75.7 | Confident | 178 Ų | 178 | 101.8 Ų | 101.8 | 67% | 0.672 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -74.7 | -37 | 176.3 | -74.5 | 175.7 | -173 | -158.6 | 4.5 | 111.5 | L254 L255 D256 K261 F262 | L254-R258 VanDerWaalsContact O-CG 3.28Å; L254-R258 WeakPolarHBondContact O-CG 3.49Å; L254-R258 PolarHBondContact O-N 2.96Å; L255-R258 PolarHBondContact O-N 3.48Å; D256-R258 VanDerWaalsContact C-N 3.28Å; D256-R258 PolarHBondContact O-N 3.36Å; R258-K261 PolarHBondContact O-N 3.25Å; R258-F262 PolarHBondContact O-N 3.33Å; R258-F262 VanDerWaalsContact O-N 3.14Å |
| 259 | F | 79.1 | Confident | 75.2 | Confident | 91 Ų | 91 | 106.4 Ų | 106.4 | 40% | 0.399 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.6 | -38.6 | 177.6 | -170.1 | -100.5 | 0 | 0 | 0 | 111.1 | F236 L255 D256 K261 F262 Y263 | F236-F259 HydrophobicContact CD2-CE1 4.23Å; F236-F259 HydrophobicContact CE2-CE1 4.48Å; L255-F259 WeakPolarHBondContact O-CB 3.46Å; L255-F259 PolarHBondContact O-N 3.02Å; D256-F259 PolarHBondContact O-N 2.93Å; D256-F259 VanDerWaalsContact O-N 3.14Å; F259-K261 PolarHBondContact O-N 2.77Å; F259-F262 HydrophobicContact CE2-CD1 4.5Å; F259-F262 WeakPolarHBondContact O-CB 3.45Å; F259-F262 PolarHBondContact O-N 3.2Å; F259-F262 VanDerWaalsContact O-N 3.11Å; F259-Y263 HydrophobicContact CD1-CD2 4.37Å; F259-Y263 AromaticContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CE2 4.01Å; F259-Y263 HydrophobicContact CE2-CD2 4.49Å; F259-Y263 AromaticContact CZ-CD2 3.66Å; F259-Y263 HydrophobicContact CZ-CD2 3.66Å; F259-Y263 AromaticContact CZ-CE2 3.82Å; F259-Y263 HydrophobicContact CZ-CE2 3.82Å; F259-Y263 PolarHBondContact O-N 3.08Å |
| 260 | E | 81.6 | Confident | 74.3 | Confident | 55 Ų | 55 | 110.9 Ų | 110.9 | 26% | 0.257 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 173.1 | -75.2 | -174.6 | -177.8 | 0 | 0 | 111.8 | S234 D256 F262 Y263 E264 | S234-E260 WeakPolarHBondContact CA-OE1 3.15Å; S234-E260 WeakPolarHBondContact CB-OE1 3.41Å; S234-E260 PolarHBondContact OG-OE1 3.01Å; D256-E260 WeakPolarHBondContact O-CG 3.28Å; D256-E260 PolarHBondContact O-N 3.24Å; E260-F262 VanDerWaalsContact C-N 3.28Å; E260-F262 PolarHBondContact O-N 2.72Å; E260-Y263 CarbonylContact O-C 3.51Å; E260-Y263 PolarHBondContact O-N 3.13Å; E260-Y263 VanDerWaalsContact O-N 3.09Å; E260-E264 WeakPolarHBondContact O-CG 3.48Å; E260-E264 PolarHBondContact O-N 3.31Å |
| 261 | K | 82.4 | Confident | 73.2 | Confident | 137 Ų | 137 | 108.7 Ų | 108.7 | 60% | 0.596 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -29.9 | 174.1 | -72.1 | 174.3 | -175.6 | 169.7 | 0 | 114.2 | D257 R258 F259 | D257-K261 WeakPolarHBondContact O-CG 3.25Å; D257-K261 PolarHBondContact O-N 3.31Å; R258-K261 PolarHBondContact O-N 3.25Å; F259-K261 PolarHBondContact O-N 2.77Å |
| 262 | F | 79.7 | Confident | 72.1 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.3 | -41 | 172.9 | 174.4 | -99.5 | 0 | 0 | 0 | 110.6 | R258 F259 E260 Q265 F266 | R258-F262 PolarHBondContact O-N 3.33Å; R258-F262 VanDerWaalsContact O-N 3.14Å; F259-F262 HydrophobicContact CE2-CD1 4.5Å; F259-F262 WeakPolarHBondContact O-CB 3.45Å; F259-F262 PolarHBondContact O-N 3.2Å; F259-F262 VanDerWaalsContact O-N 3.11Å; E260-F262 VanDerWaalsContact C-N 3.28Å; E260-F262 PolarHBondContact O-N 2.72Å; F262-Q265 PolarHBondContact O-N 3.24Å; F262-F266 HydrophobicContact CD1-CE2 4.25Å; F262-F266 HydrophobicContact CE1-CD2 4.36Å; F262-F266 AromaticContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CZ 4.48Å; F262-F266 HydrophobicContact CE2-CE2 4.11Å; F262-F266 AromaticContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CZ 4.11Å; F262-F266 WeakPolarHBondContact O-CD2 3.41Å |
| 263 | Y | 72.3 | Confident | 71 | Confident | 105 Ų | 105 | 105 Ų | 105 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -76 | -23.3 | -178.3 | -125.1 | -82.6 | 0 | 0 | 0 | 114.2 | F259 E260 Q265 F266 D267 | F259-Y263 HydrophobicContact CD1-CD2 4.37Å; F259-Y263 AromaticContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CD2 3.59Å; F259-Y263 HydrophobicContact CE1-CE2 4.01Å; F259-Y263 HydrophobicContact CE2-CD2 4.49Å; F259-Y263 AromaticContact CZ-CD2 3.66Å; F259-Y263 HydrophobicContact CZ-CD2 3.66Å; F259-Y263 AromaticContact CZ-CE2 3.82Å; F259-Y263 HydrophobicContact CZ-CE2 3.82Å; F259-Y263 PolarHBondContact O-N 3.08Å; E260-Y263 CarbonylContact O-C 3.51Å; E260-Y263 PolarHBondContact O-N 3.13Å; E260-Y263 VanDerWaalsContact O-N 3.09Å; Y263-Q265 PolarHBondContact O-N 3.07Å; Y263-Q265 VanDerWaalsContact O-N 3.09Å; Y263-F266 HydrophobicContact CD1-CB 4.25Å; Y263-F266 HydrophobicContact CE1-CB 4.36Å; Y263-F266 WeakPolarHBondContact O-CA 3.19Å; Y263-F266 PolarHBondContact O-N 2.83Å; Y263-D267 PolarHBondContact O-N 2.91Å |
| 264 | E | 75.7 | Confident | 69.8 | Low | 124 Ų | 124 | 110.4 Ų | 110.4 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -53 | -27 | 169.7 | -80.5 | 176.5 | 176.5 | 0 | 0 | 112.8 | E260 F266 | E260-E264 WeakPolarHBondContact O-CG 3.48Å; E260-E264 PolarHBondContact O-N 3.31Å; E264-F266 PolarHBondContact O-N 2.89Å |
| 265 | Q | 68.1 | Low | 68.2 | Low | 145 Ų | 145 | 113.4 Ų | 113.4 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -75.1 | -13.4 | 176.8 | -61.5 | 174.2 | 31.9 | 0 | 0 | 113.3 | F262 Y263 | F262-Q265 PolarHBondContact O-N 3.24Å; Y263-Q265 PolarHBondContact O-N 3.07Å; Y263-Q265 VanDerWaalsContact O-N 3.09Å |
| 266 | F | 65.9 | Low | 66.6 | Low | 103 Ų | 103 | 115.1 Ų | 115.1 | 45% | 0.452 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -114.1 | 14.3 | -177.9 | -60.8 | -82.8 | 0 | 0 | 0 | 112.2 | F262 Y263 E264 D268 | F262-F266 HydrophobicContact CD1-CE2 4.25Å; F262-F266 HydrophobicContact CE1-CD2 4.36Å; F262-F266 AromaticContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CE2 3.67Å; F262-F266 HydrophobicContact CE1-CZ 4.48Å; F262-F266 HydrophobicContact CE2-CE2 4.11Å; F262-F266 AromaticContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CE2 3.6Å; F262-F266 HydrophobicContact CZ-CZ 4.11Å; F262-F266 WeakPolarHBondContact O-CD2 3.41Å; Y263-F266 HydrophobicContact CD1-CB 4.25Å; Y263-F266 HydrophobicContact CE1-CB 4.36Å; Y263-F266 WeakPolarHBondContact O-CA 3.19Å; Y263-F266 PolarHBondContact O-N 2.83Å; E264-F266 PolarHBondContact O-N 2.89Å; F266-D268 PolarHBondContact O-N 2.59Å |
| 267 | D | 62 | Low | 65.4 | Low | 70 Ų | 70 | 116.7 Ų | 116.7 | 37% | 0.374 | 60% | 0.603 | S | S | . | * | trans | -59.6 | 134.6 | 177.8 | -95.4 | 5.8 | 0 | 0 | 0 | 111.3 | R235 Y263 D269 | R235-D267 IonicContact CZ-OD1 2.57Å; R235-D267 IonicContact CZ-OD2 3.23Å; R235-D267 IonicContact NE-OD1 3.94Å; R235-D267 VanDerWaalsContact NH2-CG 3.28Å; R235-D267 IonicContact NH2-OD1 3.91Å; R235-D267 PolarHBondContact NH2-OD1 3.32Å; R235-D267 IonicContact NH2-OD2 3.42Å; R235-D267 PolarHBondContact NH2-OD2 3.02Å; Y263-D267 PolarHBondContact O-N 2.91Å; D267-D269 PolarHBondContact O-N 3.33Å | ||
| 268 | D | 58.7 | Low | 64.2 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 61% | 0.61 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -1.2 | -157.3 | -73.6 | -30.5 | 0 | 0 | 0 | 118.6 | F266 E270 I271 | F266-D268 PolarHBondContact O-N 2.59Å; D268-E270 VanDerWaalsContact C-N 3.34Å; D268-I271 VanDerWaalsContact OD1-CD1 3.31Å; D268-I271 WeakPolarHBondContact OD1-CD1 3.12Å |
| 269 | D | 56.9 | Low | 62.8 | Low | 170 Ų | 170 | 119.4 Ų | 119.4 | 91% | 0.909 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -15.3 | -179.9 | -73.7 | -16.2 | 0 | 0 | 0 | 113 | D267 | D267-D269 PolarHBondContact O-N 3.33Š|
| 270 | E | 56.8 | Low | 61.8 | Low | 176 Ų | 176 | 122.5 Ų | 122.5 | 82% | 0.822 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -113.5 | 8.6 | 174.7 | -83.8 | -175.8 | 171.3 | 0 | 0 | 114.3 | D268 G272 | D268-E270 VanDerWaalsContact C-N 3.34Å; E270-G272 PolarHBondContact O-N 3.11Å |
| 271 | I | 56.2 | Low | 60.9 | Low | 119 Ų | 119 | 123.1 Ų | 123.1 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | trans | -82.6 | 60.3 | 167.9 | -49.3 | -177.6 | 0 | 0 | 0 | 109.2 | D268 | D268-I271 VanDerWaalsContact OD1-CD1 3.31Å; D268-I271 WeakPolarHBondContact OD1-CD1 3.12Å | ||
| 272 | G | 53.5 | Low | 60.4 | Low | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -95.8 | 169.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | E270 L274 | E270-G272 PolarHBondContact O-N 3.11Å; G272-L274 PolarHBondContact O-N 3.45Å |
| 273 | A | 50.3 | Low | 60.2 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 83% | 0.826 | 67% | 0.671 | S | S | * | * | trans | -50.9 | 121.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | D275 | A273-D275 PolarHBondContact O-N 2.88Š| ||
| 274 | L | 53 | Low | 60.4 | Low | 151 Ų | 151 | 125.4 Ų | 125.4 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -48.9 | 103 | 153.9 | -144.9 | 78.9 | 0 | 0 | 0 | 101.9 | G272 N276 | G272-L274 PolarHBondContact O-N 3.45Å; L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.91Å | ||
| 275 | D | 49.4 | Very low | 60.4 | Low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -46.1 | 113.9 | 163.2 | -127.7 | 1.4 | 0 | 0 | 0 | 100.3 | A273 A277 | A273-D275 PolarHBondContact O-N 2.88Å; D275-A277 PolarHBondContact O-N 3.09Å | ||
| 276 | N | 49.5 | Very low | 60.9 | Low | 139 Ų | 139 | 124 Ų | 124 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -49.9 | 103.9 | -176.7 | -65 | -63.3 | 0 | 0 | 0 | 102.5 | L274 E278 | L274-N276 VanDerWaalsContact C-N 3.27Å; L274-N276 PolarHBondContact O-N 2.91Å; N276-E278 HydrophobicContact CB-CG 4.29Å; N276-E278 PolarHBondContact O-N 3.17Å | ||
| 277 | A | 54.6 | Low | 61.9 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 66% | 0.661 | 67% | 0.673 | S | S | * | * | trans | -67.7 | 83.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 97.6 | D275 L279 | D275-A277 PolarHBondContact O-N 3.09Å; A277-L279 PolarHBondContact O-N 3.41Å | ||
| 278 | E | 57.3 | Low | 63 | Low | 138 Ų | 138 | 120.7 Ų | 120.7 | 65% | 0.645 | 69% | 0.686 | S | S | * | * | trans | -43.6 | 109.6 | 169.4 | -73.2 | 172.1 | 163.5 | 0 | 0 | 100 | N276 E280 | N276-E278 HydrophobicContact CB-CG 4.29Å; N276-E278 PolarHBondContact O-N 3.17Å; E278-E280 HydrophobicContact CB-CB 4.28Å; E278-E280 HydrophobicContact CB-CG 4.05Å; E278-E280 PolarHBondContact O-N 3.49Å | ||
| 279 | L | 56.4 | Low | 64.2 | Low | 179 Ų | 179 | 124.2 Ų | 124.2 | 94% | 0.937 | 69% | 0.691 | S | S | * | * | trans | -69.3 | 60 | 162.3 | -118.9 | 97.8 | 0 | 0 | 0 | 104.2 | A277 G281 | A277-L279 PolarHBondContact O-N 3.41Å; L279-G281 PolarHBondContact O-N 3Å | ||
| 280 | E | 58.3 | Low | 65.6 | Low | 156 Ų | 156 | 118.9 Ų | 118.9 | 73% | 0.729 | 66% | 0.662 | S | S | * | * | trans | -64.7 | 96.1 | 162.8 | -98 | -168.1 | 162.2 | 0 | 0 | 103.2 | E278 F282 | E278-E280 HydrophobicContact CB-CB 4.28Å; E278-E280 HydrophobicContact CB-CG 4.05Å; E278-E280 PolarHBondContact O-N 3.49Å; E280-F282 PolarHBondContact O-N 3.44Å | ||
| 281 | G | 61.6 | Low | 67.1 | Low | 69 Ų | 69 | 115.2 Ų | 115.2 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -57.6 | 108.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | L279 I283 | L279-G281 PolarHBondContact O-N 3Å; G281-I283 PolarHBondContact O-N 3.2Å | ||
| 282 | F | 72.3 | Confident | 68.8 | Low | 167 Ų | 167 | 115 Ų | 115 | 73% | 0.732 | 64% | 0.642 | S | S | * | * | trans | -60 | 110.9 | 172.1 | 176 | -102 | 0 | 0 | 0 | 108.6 | E280 E284 | E280-F282 PolarHBondContact O-N 3.44Å; F282-E284 HydrophobicContact CD1-CG 4.26Å; F282-E284 HydrophobicContact CE1-CB 4.43Å; F282-E284 HydrophobicContact CE1-CG 3.54Å; F282-E284 HydrophobicContact CZ-CG 4.3Å | ||
| 283 | I | 74.8 | Confident | 70.5 | Confident | 100 Ų | 100 | 117 Ų | 117 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | trans | -92.7 | 122.7 | 167 | -102.5 | 168.8 | 0 | 0 | 0 | 107 | G281 S287 L290 | G281-I283 PolarHBondContact O-N 3.2Å; I283-S287 WeakPolarHBondContact CG2-OG 3.21Å; I283-L290 HydrophobicContact CG2-CB 4.08Å; I283-L290 HydrophobicContact CG2-CD2 4.29Å | ||
| 284 | E | 77.8 | Confident | 72.4 | Confident | 127 Ų | 127 | 116 Ų | 116 | 59% | 0.593 | 62% | 0.623 | S | S | * | * | trans | -59.1 | 136.9 | 173.4 | -76.8 | 177 | 174.4 | 0 | 0 | 109.7 | F282 D286 S287 | F282-E284 HydrophobicContact CD1-CG 4.26Å; F282-E284 HydrophobicContact CE1-CB 4.43Å; F282-E284 HydrophobicContact CE1-CG 3.54Å; F282-E284 HydrophobicContact CZ-CG 4.3Å; E284-D286 PolarHBondContact O-N 3.47Å; E284-D286 VanDerWaalsContact O-N 3.12Å; E284-S287 WeakPolarHBondContact O-CB 3.32Å; E284-S287 PolarHBondContact O-N 3.04Å; E284-S287 PolarHBondContact O-OG 3.45Å | ||
| 285 | P | 75.9 | Confident | 74.3 | Confident | 94 Ų | 94 | 114.2 Ų | 114.2 | 61% | 0.61 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -20.2 | -177.9 | 22.8 | -31.6 | 0 | 0 | 0 | 113.4 | ||
| 286 | D | 78.3 | Confident | 76.3 | Confident | 145 Ų | 145 | 110.6 Ų | 110.6 | 78% | 0.775 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 9.8 | 176.2 | -61.1 | -18.2 | 0 | 0 | 0 | 112.6 | E284 A288 | E284-D286 PolarHBondContact O-N 3.47Å; E284-D286 VanDerWaalsContact O-N 3.12Å; D286-A288 PolarHBondContact O-N 3.01Å |
| 287 | S | 85.4 | Confident | 78.3 | Confident | 26 Ų | 26 | 111 Ų | 111 | 18% | 0.182 | 58% | 0.582 | C | S | . | * | trans | -69.3 | 134.8 | -179.1 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | I283 E284 R289 L290 E291 | I283-S287 WeakPolarHBondContact CG2-OG 3.21Å; E284-S287 WeakPolarHBondContact O-CB 3.32Å; E284-S287 PolarHBondContact O-N 3.04Å; E284-S287 PolarHBondContact O-OG 3.45Å; S287-R289 PolarHBondContact O-N 3.43Å; S287-R289 VanDerWaalsContact O-N 3.12Å; S287-L290 PolarHBondContact O-N 3.44Å; S287-L290 WeakPolarHBondContact OG-CB 3.47Å; S287-L290 PolarHBondContact OG-N 2.96Å; S287-E291 PolarHBondContact O-N 3.49Å | ||
| 288 | A | 87 | Confident | 80.1 | Confident | 78 Ų | 78 | 112.8 Ų | 112.8 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -57.9 | -28.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | D286 E292 | D286-A288 PolarHBondContact O-N 3.01Å; A288-E292 PolarHBondContact O-N 2.97Å; A288-E292 VanDerWaalsContact O-N 3.1Å |
| 289 | R | 83.4 | Confident | 81.6 | Confident | 188 Ų | 188 | 111.5 Ų | 111.5 | 71% | 0.709 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.9 | -40.7 | 174.9 | -86.9 | -128.2 | 171.3 | 154.6 | -2.5 | 112.6 | S287 E291 E292 V293 | S287-R289 PolarHBondContact O-N 3.43Å; S287-R289 VanDerWaalsContact O-N 3.12Å; R289-E291 VanDerWaalsContact C-N 3.34Å; R289-E292 PolarHBondContact O-N 3.19Å; R289-V293 WeakPolarHBondContact O-CG2 3.49Å; R289-V293 PolarHBondContact O-N 2.97Å; R289-V293 VanDerWaalsContact O-N 3.09Å |
| 290 | L | 86.5 | Confident | 82.9 | Confident | 58 Ų | 58 | 108.7 Ų | 108.7 | 30% | 0.304 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.3 | -176.2 | 61.6 | 0 | 0 | 0 | 110.8 | I283 S287 E292 V293 I294 | I283-L290 HydrophobicContact CG2-CB 4.08Å; I283-L290 HydrophobicContact CG2-CD2 4.29Å; S287-L290 PolarHBondContact O-N 3.44Å; S287-L290 WeakPolarHBondContact OG-CB 3.47Å; S287-L290 PolarHBondContact OG-N 2.96Å; L290-E292 VanDerWaalsContact C-N 3.33Å; L290-E292 PolarHBondContact O-N 3.31Å; L290-V293 PolarHBondContact O-N 2.87Å; L290-I294 HydrophobicContact CD1-CD1 4.36Å; L290-I294 HydrophobicContact CD1-CG1 4.49Å; L290-I294 HydrophobicContact CG-CD1 3.92Å; L290-I294 HydrophobicContact CG-CG1 4.49Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 VanDerWaalsContact O-CG1 3.22Å; L290-I294 WeakPolarHBondContact O-CG1 3.32Å; L290-I294 PolarHBondContact O-N 3.12Å |
| 291 | E | 87.8 | Confident | 84 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 47% | 0.467 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 174.3 | -71.2 | -167.5 | -172.5 | 0 | 0 | 113.4 | S287 R289 I294 K295 | S287-E291 PolarHBondContact O-N 3.49Å; R289-E291 VanDerWaalsContact C-N 3.34Å; E291-I294 PolarHBondContact O-N 3.41Å; E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 WeakPolarHBondContact O-CD 3.42Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.15Å; E291-K295 IonicContact OE2-NZ 2.79Å; E291-K295 PolarHBondContact OE2-NZ 3.28Å |
| 292 | E | 91.3 | Very high | 84.9 | Confident | 114 Ų | 114 | 110.7 Ų | 110.7 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 176.8 | -173 | 177.4 | -169.2 | 0 | 0 | 111.1 | A288 R289 L290 I294 K295 D296 | A288-E292 PolarHBondContact O-N 2.97Å; A288-E292 VanDerWaalsContact O-N 3.1Å; R289-E292 PolarHBondContact O-N 3.19Å; L290-E292 VanDerWaalsContact C-N 3.33Å; L290-E292 PolarHBondContact O-N 3.31Å; E292-I294 VanDerWaalsContact C-N 3.35Å; E292-I294 PolarHBondContact O-N 3.16Å; E292-K295 PolarHBondContact O-N 3.36Å; E292-D296 PolarHBondContact O-N 2.64Å |
| 293 | V | 90.1 | Very high | 85 | Confident | 96 Ų | 96 | 110.9 Ų | 110.9 | 58% | 0.582 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | R289 L290 D296 Y297 | R289-V293 WeakPolarHBondContact O-CG2 3.49Å; R289-V293 PolarHBondContact O-N 2.97Å; R289-V293 VanDerWaalsContact O-N 3.09Å; L290-V293 PolarHBondContact O-N 2.87Å; V293-D296 PolarHBondContact O-N 3.49Å; V293-Y297 WeakPolarHBondContact O-CB 2.9Å; V293-Y297 PolarHBondContact O-N 2.92Å |
| 294 | I | 90.6 | Very high | 84.9 | Confident | 78 Ų | 78 | 111.7 Ų | 111.7 | 40% | 0.4 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.1 | -69.9 | 167.3 | 0 | 0 | 0 | 110.7 | L290 E291 E292 Y297 F298 | L290-I294 HydrophobicContact CD1-CD1 4.36Å; L290-I294 HydrophobicContact CD1-CG1 4.49Å; L290-I294 HydrophobicContact CG-CD1 3.92Å; L290-I294 HydrophobicContact CG-CG1 4.49Å; L290-I294 WeakPolarHBondContact O-CB 3.48Å; L290-I294 VanDerWaalsContact O-CG1 3.22Å; L290-I294 WeakPolarHBondContact O-CG1 3.32Å; L290-I294 PolarHBondContact O-N 3.12Å; E291-I294 PolarHBondContact O-N 3.41Å; E292-I294 VanDerWaalsContact C-N 3.35Å; E292-I294 PolarHBondContact O-N 3.16Å; I294-Y297 WeakPolarHBondContact O-CB 3.44Å; I294-Y297 PolarHBondContact O-N 3.34Å; I294-F298 HydrophobicContact CG2-CD2 3.86Å; I294-F298 HydrophobicContact CG2-CE2 3.6Å; I294-F298 WeakPolarHBondContact O-CD2 3.38Å; I294-F298 PolarHBondContact O-N 3.45Å; I294-F298 VanDerWaalsContact O-N 3.15Å |
| 295 | K | 91.6 | Very high | 84.4 | Confident | 113 Ų | 113 | 109 Ų | 109 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 177.9 | -74.9 | 163.2 | -172.3 | 151.8 | 0 | 111.7 | E291 E292 F298 K299 | E291-K295 WeakPolarHBondContact O-CB 3.32Å; E291-K295 WeakPolarHBondContact O-CD 3.42Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.47Å; E291-K295 PolarHBondContact O-N 3.15Å; E291-K295 IonicContact OE2-NZ 2.79Å; E291-K295 PolarHBondContact OE2-NZ 3.28Å; E292-K295 PolarHBondContact O-N 3.36Å; K295-F298 PolarHBondContact O-N 3.4Å; K295-K299 WeakPolarHBondContact O-CG 3.36Å; K295-K299 PolarHBondContact O-N 3.45Å; K295-K299 VanDerWaalsContact O-N 3.13Å |
| 296 | D | 91.3 | Very high | 83.7 | Confident | 77 Ų | 77 | 110.6 Ų | 110.6 | 41% | 0.412 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | 177.7 | -84.4 | 0.8 | 0 | 0 | 0 | 112.5 | E292 V293 F298 K299 Q300 | E292-D296 PolarHBondContact O-N 2.64Å; V293-D296 PolarHBondContact O-N 3.49Å; D296-F298 VanDerWaalsContact C-N 3.35Å; D296-F298 PolarHBondContact O-N 3.43Å; D296-K299 PolarHBondContact O-N 2.87Å; D296-K299 IonicContact OD1-NZ 2.69Å; D296-K299 PolarHBondContact OD1-NZ 3.09Å; D296-Q300 PolarHBondContact O-N 2.95Å |
| 297 | Y | 92.8 | Very high | 82.9 | Confident | 148 Ų | 148 | 111 Ų | 111 | 58% | 0.58 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57 | -45.8 | 172.2 | 174.9 | -100.4 | 0 | 0 | 0 | 112.1 | V293 I294 Q300 K301 | V293-Y297 WeakPolarHBondContact O-CB 2.9Å; V293-Y297 PolarHBondContact O-N 2.92Å; I294-Y297 WeakPolarHBondContact O-CB 3.44Å; I294-Y297 PolarHBondContact O-N 3.34Å; Y297-Q300 WeakPolarHBondContact O-CB 3.13Å; Y297-Q300 PolarHBondContact O-N 3.41Å; Y297-K301 PolarHBondContact O-N 3.28Å |
| 298 | F | 91.1 | Very high | 81.5 | Confident | 117 Ų | 117 | 115.4 Ų | 115.4 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.4 | -39.3 | 177.9 | -76.3 | -67 | 0 | 0 | 0 | 113.1 | I294 K295 D296 Q300 K301 E302 | I294-F298 HydrophobicContact CG2-CD2 3.86Å; I294-F298 HydrophobicContact CG2-CE2 3.6Å; I294-F298 WeakPolarHBondContact O-CD2 3.38Å; I294-F298 PolarHBondContact O-N 3.45Å; I294-F298 VanDerWaalsContact O-N 3.15Å; K295-F298 PolarHBondContact O-N 3.4Å; D296-F298 VanDerWaalsContact C-N 3.35Å; D296-F298 PolarHBondContact O-N 3.43Å; F298-Q300 VanDerWaalsContact C-N 3.29Å; F298-Q300 PolarHBondContact O-N 3.04Å; F298-K301 PolarHBondContact O-N 3.33Å; F298-E302 WeakPolarHBondContact O-CG 3.48Å; F298-E302 PolarHBondContact O-N 3.36Å |
| 299 | K | 89.1 | Confident | 80.1 | Confident | 112 Ų | 112 | 119.8 Ų | 119.8 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.9 | -39.1 | 173.7 | -70 | 174.9 | -160.8 | 155.5 | 0 | 112.2 | K295 D296 K303 | K295-K299 WeakPolarHBondContact O-CG 3.36Å; K295-K299 PolarHBondContact O-N 3.45Å; K295-K299 VanDerWaalsContact O-N 3.13Å; D296-K299 PolarHBondContact O-N 2.87Å; D296-K299 IonicContact OD1-NZ 2.69Å; D296-K299 PolarHBondContact OD1-NZ 3.09Å; K299-K303 WeakPolarHBondContact O-CG 3.4Å; K299-K303 PolarHBondContact O-N 2.92Å |
| 300 | Q | 84.1 | Confident | 79.1 | Confident | 120 Ų | 120 | 115.3 Ų | 115.3 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.9 | -48 | 175.9 | -163.2 | 111.8 | -5.7 | 0 | 0 | 110 | D296 Y297 F298 E302 K303 D304 | D296-Q300 PolarHBondContact O-N 2.95Å; Y297-Q300 WeakPolarHBondContact O-CB 3.13Å; Y297-Q300 PolarHBondContact O-N 3.41Å; F298-Q300 VanDerWaalsContact C-N 3.29Å; F298-Q300 PolarHBondContact O-N 3.04Å; Q300-E302 VanDerWaalsContact C-N 3.27Å; Q300-E302 PolarHBondContact O-N 3.22Å; Q300-K303 WeakPolarHBondContact O-CB 3.4Å; Q300-K303 PolarHBondContact O-N 3.39Å; Q300-D304 VanDerWaalsContact O-CG 3.25Å; Q300-D304 PolarHBondContact O-N 2.96Å |
| 301 | K | 82.1 | Confident | 77.5 | Confident | 126 Ų | 126 | 119 Ų | 119 | 55% | 0.548 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.7 | -32.8 | 179.9 | -142.3 | -146.2 | -175 | -165.8 | 0 | 113.4 | Y297 F298 D304 S305 | Y297-K301 PolarHBondContact O-N 3.28Å; F298-K301 PolarHBondContact O-N 3.33Å; K301-D304 PolarHBondContact O-N 2.93Å; K301-S305 WeakPolarHBondContact O-CB 3.22Å; K301-S305 PolarHBondContact O-N 2.79Å; K301-S305 PolarHBondContact O-OG 3.09Å |
| 302 | E | 79.8 | Confident | 75.7 | Confident | 140 Ų | 140 | 117.1 Ų | 117.1 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69 | -34.8 | 173.8 | -77.1 | 179.6 | 173.7 | 0 | 0 | 112.7 | F298 Q300 S305 | F298-E302 WeakPolarHBondContact O-CG 3.48Å; F298-E302 PolarHBondContact O-N 3.36Å; Q300-E302 VanDerWaalsContact C-N 3.27Å; Q300-E302 PolarHBondContact O-N 3.22Å; E302-S305 WeakPolarHBondContact CA-OG 3.48Å; E302-S305 PolarHBondContact O-OG 3.42Å |
| 303 | K | 75 | Confident | 73.8 | Confident | 172 Ų | 172 | 118 Ų | 118 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.2 | -36.3 | 172.8 | -69.7 | 173.3 | -179.7 | 178.6 | 0 | 111.8 | K299 Q300 | K299-K303 WeakPolarHBondContact O-CG 3.4Å; K299-K303 PolarHBondContact O-N 2.92Å; Q300-K303 WeakPolarHBondContact O-CB 3.4Å; Q300-K303 PolarHBondContact O-N 3.39Å |
| 304 | D | 71.6 | Confident | 71.8 | Confident | 116 Ų | 116 | 123 Ų | 123 | 62% | 0.62 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -79.6 | -21.9 | -179.6 | -61 | -19 | 0 | 0 | 0 | 112.1 | Q300 K301 L306 | Q300-D304 VanDerWaalsContact O-CG 3.25Å; Q300-D304 PolarHBondContact O-N 2.96Å; K301-D304 PolarHBondContact O-N 2.93Å; D304-L306 PolarHBondContact O-N 3.13Å; D304-L306 VanDerWaalsContact O-N 3.11Å |
| 305 | S | 67.8 | Low | 69.3 | Low | 70 Ų | 70 | 128 Ų | 128 | 49% | 0.49 | 64% | 0.635 | S | S | . | * | trans | -76.9 | 96.6 | 174 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | K301 E302 R307 | K301-S305 WeakPolarHBondContact O-CB 3.22Å; K301-S305 PolarHBondContact O-N 2.79Å; K301-S305 PolarHBondContact O-OG 3.09Å; E302-S305 WeakPolarHBondContact CA-OG 3.48Å; E302-S305 PolarHBondContact O-OG 3.42Å; S305-R307 PolarHBondContact O-N 3.28Å | ||
| 306 | L | 60.5 | Low | 66.8 | Low | 128 Ų | 128 | 130.1 Ų | 130.1 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | -64.1 | 122.6 | 165.1 | -72.6 | 159.9 | 0 | 0 | 0 | 109.2 | D304 | D304-L306 PolarHBondContact O-N 3.13Å; D304-L306 VanDerWaalsContact O-N 3.11Å | ||
| 307 | R | 62.3 | Low | 64.2 | Low | 154 Ų | 154 | 132.2 Ų | 132.2 | 58% | 0.581 | 67% | 0.669 | S | S | * | * | trans | -70.8 | 139.9 | 170.8 | -64.4 | 173.1 | -59.4 | 164.7 | 10.2 | 108 | S305 E309 D310 | S305-R307 PolarHBondContact O-N 3.28Å; R307-E309 PolarHBondContact O-N 3.42Å; R307-D310 IonicContact CZ-OD2 2.88Å; R307-D310 IonicContact NE-OD2 3.31Å; R307-D310 PolarHBondContact NE-OD2 3.1Å; R307-D310 IonicContact NH2-OD1 3.71Å; R307-D310 IonicContact NH2-OD2 3.98Å; R307-D310 PolarHBondContact NH2-OD2 3.42Å; R307-D310 PolarHBondContact O-N 3.33Å | ||
| 308 | P | 56.5 | Low | 61.7 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -55.2 | -17.4 | 177.1 | -27.4 | 35.3 | 0 | 0 | 0 | 114.9 | D310 | P308-D310 VanDerWaalsContact C-N 3.32Š|
| 309 | E | 57.8 | Low | 58.9 | Low | 170 Ų | 170 | 133.3 Ų | 133.3 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -77.3 | -13.9 | 178.4 | -56.1 | -167.1 | -167.6 | 0 | 0 | 114 | R307 L311 | R307-E309 PolarHBondContact O-N 3.42Å; E309-L311 VanDerWaalsContact C-N 3.33Å |
| 310 | D | 60.7 | Low | 56.1 | Low | 94 Ų | 94 | 134.9 Ų | 134.9 | 50% | 0.503 | 71% | 0.707 | S | S | . | * | G | 310 helix | trans | -91.2 | 3.2 | 176.7 | -62.8 | -49.2 | 0 | 0 | 0 | 112.2 | R307 P308 | R307-D310 IonicContact CZ-OD2 2.88Å; R307-D310 IonicContact NE-OD2 3.31Å; R307-D310 PolarHBondContact NE-OD2 3.1Å; R307-D310 IonicContact NH2-OD1 3.71Å; R307-D310 IonicContact NH2-OD2 3.98Å; R307-D310 PolarHBondContact NH2-OD2 3.42Å; R307-D310 PolarHBondContact O-N 3.33Å; P308-D310 VanDerWaalsContact C-N 3.32Å |
| 311 | L | 53.6 | Low | 53.8 | Low | 136 Ų | 136 | 137.8 Ų | 137.8 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -121 | 68.4 | 176.9 | -67.8 | 173.3 | 0 | 0 | 0 | 110.8 | E309 | E309-L311 VanDerWaalsContact C-N 3.33Š|
| 312 | G | 50.2 | Low | 51.3 | Low | 60 Ų | 60 | 140.5 Ų | 140.5 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | trans | -155.2 | 126.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 313 | P | 50.8 | Low | 49 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -70.6 | 144.4 | 177.7 | 27.3 | -31.1 | 0 | 0 | 0 | 111.9 | E315 | P313-E315 PolarHBondContact O-N 3.02Š| ||
| 314 | K | 48.2 | Very low | 46.8 | Very low | 202 Ų | 202 | 142.4 Ų | 142.4 | 88% | 0.878 | 75% | 0.747 | S | S | * | * | trans | -54.5 | 114.1 | 174.1 | -160.8 | 171.1 | -172.9 | 172 | 0 | 110.7 | ||||
| 315 | E | 39.2 | Very low | 44.8 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | 4.1 | 111.1 | 162.4 | -61.9 | 177.2 | 167.8 | 0 | 0 | 116.6 | P313 | P313-E315 PolarHBondContact O-N 3.02Š| ||
| 316 | L | 37.9 | Very low | 43.4 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.5 | 154.1 | -74.8 | 168.8 | 0 | 0 | 0 | 108.5 | V318 | L316-V318 PolarHBondContact O-N 3.33Š|
| 317 | P | 38.1 | Very low | 42 | Very low | 120 Ų | 120 | 150.3 Ų | 150.3 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.1 | 179.6 | -13 | 27.1 | 0 | 0 | 0 | 110.6 | L319 | P317-L319 PolarHBondContact O-N 3.12Š|
| 318 | V | 39 | Very low | 41.1 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 116.2 | 164.1 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | L316 | L316-V318 PolarHBondContact O-N 3.33Š|
| 319 | L | 31.8 | Very low | 40.1 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -99.5 | 108.8 | 159 | -80.5 | 171.4 | 0 | 0 | 0 | 107.3 | P317 | P317-L319 PolarHBondContact O-N 3.12Š| ||
| 320 | N | 30.6 | Very low | 39.3 | Very low | 146 Ų | 146 | 156.7 Ų | 156.7 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 147.4 | 167.2 | -88.8 | -6.1 | 0 | 0 | 0 | 110.5 | ||||
| 321 | E | 36 | Very low | 38.3 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | -59.2 | 146.4 | 171.1 | -58.2 | 165.9 | 166.7 | 0 | 0 | 111.8 | ||||
| 322 | E | 30 | Very low | 37.7 | Very low | 183 Ų | 183 | 163.4 Ų | 163.4 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | 178.1 | 116.3 | 131.4 | -93.5 | 166.6 | -154.5 | 0 | 0 | 111.1 | ||||
| 323 | E | 32.5 | Very low | 37.2 | Very low | 174 Ų | 174 | 167 Ų | 167 | 81% | 0.813 | 84% | 0.842 | S | S | * | * | trans | 51.7 | 118.2 | 140.9 | -52.2 | -174.3 | 171 | 0 | 0 | 121.9 | ||||
| 324 | E | 28.5 | Very low | 37.1 | Very low | 179 Ų | 179 | 166.7 Ų | 166.7 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | 165.2 | 111.1 | 114.6 | -86.7 | 177 | -176.9 | 0 | 0 | 112 | |||||
| 325 | D | 29.8 | Very low | 36.9 | Very low | 143 Ų | 143 | 162.8 Ų | 162.8 | 77% | 0.765 | 83% | 0.83 | S | S | * | * | trans | 58.3 | 131.6 | 141.1 | -55.4 | -29.3 | 0 | 0 | 0 | 125.8 | ||||
| 326 | E | 37.3 | Very low | 37.1 | Very low | 171 Ų | 171 | 159.6 Ų | 159.6 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | trans | 51.9 | 111.5 | 145.5 | -70.3 | 177.8 | 165.9 | 0 | 0 | 119.8 | ||||
| 327 | D | 32.4 | Very low | 38 | Very low | 166 Ų | 166 | 160.7 Ų | 160.7 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | -166.1 | 136.1 | 113.5 | -86.5 | -32 | 0 | 0 | 0 | 111.6 | |||||
| 328 | E | 41.9 | Very low | 38.8 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -60.2 | 142.9 | 179.6 | -64 | 169.3 | 146.2 | 0 | 0 | 112.2 | ||||
| 329 | E | 36.7 | Very low | 39.8 | Very low | 191 Ų | 191 | 159.6 Ų | 159.6 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | 178.3 | 116.9 | 123.4 | -94.1 | 168.6 | -164.8 | 0 | 0 | 111.7 | |||||
| 330 | E | 40.2 | Very low | 40.9 | Very low | 201 Ų | 201 | 160.2 Ų | 160.2 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -68.1 | 122.7 | 175.6 | -172.1 | 173.2 | -158.5 | 0 | 0 | 110.2 | ||||
| 331 | M | 38.7 | Very low | 42.5 | Very low | 184 Ų | 184 | 161.1 Ų | 161.1 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | trans | -122.1 | 127.9 | 171 | -87.6 | -160.8 | -78.6 | 0 | 0 | 113 | ||||
| 332 | E | 42 | Very low | 43.5 | Very low | 187 Ų | 187 | 162.4 Ų | 162.4 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -58.4 | 150.4 | -170 | -90.3 | 169.8 | 143.2 | 0 | 0 | 116.1 | ||||
| 333 | T | 39.3 | Very low | 45 | Very low | 135 Ų | 135 | 164.5 Ų | 164.5 | 83% | 0.828 | 83% | 0.831 | S | S | * | * | trans | -74.7 | 122.1 | 174.9 | 42.2 | 0 | 0 | 0 | 0 | 111.4 | V335 | T333-V335 PolarHBondContact O-N 3.23Š| ||
| 334 | V | 49.1 | Very low | 45.8 | Very low | 127 Ų | 127 | 163.8 Ų | 163.8 | 77% | 0.77 | 83% | 0.833 | S | S | * | * | trans | -82.8 | 107.4 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 335 | V | 44.8 | Very low | 46.7 | Very low | 120 Ų | 120 | 160.6 Ų | 160.6 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -96.1 | 104.7 | 167.1 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | T333 E337 | T333-V335 PolarHBondContact O-N 3.23Å; V335-E337 PolarHBondContact O-N 3.5Å | ||
| 336 | C | 43.2 | Very low | 48 | Very low | 116 Ų | 116 | 162.7 Ų | 162.7 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | trans | -80.7 | 105.2 | 171.5 | -67.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 337 | E | 55.2 | Low | 48.8 | Very low | 181 Ų | 181 | 160.3 Ų | 160.3 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.3 | 166 | -70.8 | -173.4 | 157.7 | 0 | 0 | 110.7 | V335 | V335-E337 PolarHBondContact O-N 3.5Š|
| 338 | A | 54.8 | Low | 50.2 | Low | 88 Ų | 88 | 160.4 Ų | 160.4 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q340 | A338-Q340 PolarHBondContact O-N 3.06Š|
| 339 | P | 61.8 | Low | 51.1 | Low | 128 Ų | 128 | 158.6 Ų | 158.6 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.9 | -180 | 27.9 | -33 | 0 | 0 | 0 | 111.1 | ||
| 340 | Q | 55.1 | Low | 52 | Low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 135.5 | 170.2 | -67.3 | -136.6 | -23.1 | 0 | 0 | 111.4 | A338 K342 | A338-Q340 PolarHBondContact O-N 3.06Å; Q340-K342 PolarHBondContact O-N 2.85Å |
| 341 | E | 63.9 | Low | 52.9 | Low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | -68.1 | 112.4 | 174.9 | -71.8 | 179.2 | 162 | 0 | 0 | 110.9 | ||||
| 342 | K | 55.7 | Low | 54.1 | Low | 206 Ų | 206 | 149.7 Ų | 149.7 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -86.1 | 114 | 167.9 | -65.3 | 179.5 | -178.2 | 177.9 | 0 | 107.9 | Q340 | Q340-K342 PolarHBondContact O-N 2.85Š| ||
| 343 | W | 61.4 | Low | 55.2 | Low | 227 Ų | 227 | 145.6 Ų | 145.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -76.1 | 131.6 | 174.3 | -70 | 75.5 | 0 | 0 | 0 | 110 | ||||
| 344 | D | 49.7 | Very low | 56.4 | Low | 159 Ų | 159 | 145.8 Ų | 145.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -149.4 | 146.2 | 163 | -131.3 | -12.2 | 0 | 0 | 0 | 111.3 | ||||
| 345 | C | 47 | Very low | 57.3 | Low | 112 Ų | 112 | 144.7 Ų | 144.7 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | 92.6 | 96.8 | 178.2 | -54.1 | 0 | 0 | 0 | 0 | 117.9 | T347 | C345-T347 PolarHBondContact O-N 3.17Š| ||
| 346 | E | 57 | Low | 58.4 | Low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -46.5 | 123.1 | 158.8 | -58.3 | 171.9 | 157.4 | 0 | 0 | 111.9 | I348 | E346-I348 PolarHBondContact O-N 2.74Š| ||
| 347 | T | 54.8 | Low | 59.8 | Low | 121 Ų | 121 | 151.2 Ų | 151.2 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -88.2 | 107.1 | 177 | -37.2 | 0 | 0 | 0 | 0 | 110.2 | C345 I349 | C345-T347 PolarHBondContact O-N 3.17Å; T347-I349 PolarHBondContact O-N 3.04Å | ||
| 348 | I | 62.5 | Low | 60.8 | Low | 167 Ų | 167 | 151 Ų | 151 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 21.7 | -173.9 | -35.8 | 162.6 | 0 | 0 | 0 | 113.1 | E346 | E346-I348 PolarHBondContact O-N 2.74Š|
| 349 | I | 59.3 | Low | 62 | Low | 146 Ų | 146 | 152.6 Ų | 152.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 20.8 | -180 | -33 | 178.9 | 0 | 0 | 0 | 112.5 | T347 T351 | T347-I349 PolarHBondContact O-N 3.04Å; I349-T351 VanDerWaalsContact C-N 3.3Å; I349-T351 PolarHBondContact O-N 3.44Å |
| 350 | S | 57.1 | Low | 62.7 | Low | 64 Ų | 64 | 155.2 Ų | 155.2 | 45% | 0.448 | 77% | 0.769 | S | S | . | * | trans | -86 | 76.8 | 163.5 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | Y352 | S350-Y352 VanDerWaalsContact C-N 3.29Å; S350-Y352 WeakPolarHBondContact O-CD2 3.34Å; S350-Y352 PolarHBondContact O-N 3Å; S350-Y352 WeakPolarHBondContact OG-CE1 3.42Å; S350-Y352 WeakPolarHBondContact OG-CE2 3.43Å | ||
| 351 | T | 59.5 | Low | 63.8 | Low | 127 Ų | 127 | 152.3 Ų | 152.3 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 92.7 | 162.1 | 51.2 | 0 | 0 | 0 | 0 | 107.4 | I349 S353 | I349-T351 VanDerWaalsContact C-N 3.3Å; I349-T351 PolarHBondContact O-N 3.44Å; T351-S353 VanDerWaalsContact C-N 3.34Å; T351-S353 PolarHBondContact O-N 3.43Å | ||
| 352 | Y | 64 | Low | 64.5 | Low | 197 Ų | 197 | 152 Ų | 152 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -61.1 | 95.3 | 172.3 | -67.2 | -80.8 | 0 | 0 | 0 | 109.5 | S350 N354 | S350-Y352 VanDerWaalsContact C-N 3.29Å; S350-Y352 WeakPolarHBondContact O-CD2 3.34Å; S350-Y352 PolarHBondContact O-N 3Å; S350-Y352 WeakPolarHBondContact OG-CE1 3.42Å; S350-Y352 WeakPolarHBondContact OG-CE2 3.43Å; Y352-N354 PolarHBondContact O-N 3.31Å | ||
| 353 | S | 63.4 | Low | 65.3 | Low | 101 Ų | 101 | 150.1 Ų | 150.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -73.3 | 98.7 | 165.5 | 151.5 | 0 | 0 | 0 | 0 | 107.5 | T351 L355 | T351-S353 VanDerWaalsContact C-N 3.34Å; T351-S353 PolarHBondContact O-N 3.43Å; S353-L355 PolarHBondContact O-N 3.28Å | ||
| 354 | N | 65.6 | Low | 65.8 | Low | 139 Ų | 139 | 145.5 Ų | 145.5 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | trans | -62.6 | 113.1 | 170.9 | -71.4 | -19.9 | 0 | 0 | 0 | 108.5 | Y352 Y356 | Y352-N354 PolarHBondContact O-N 3.31Å; N354-Y356 PolarHBondContact O-N 2.92Å | ||
| 355 | L | 67.6 | Low | 66.8 | Low | 104 Ų | 104 | 143.6 Ų | 143.6 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | 31.9 | 176.4 | -149.9 | 68.5 | 0 | 0 | 0 | 113.2 | S353 N357 R358 | S353-L355 PolarHBondContact O-N 3.28Å; L355-N357 VanDerWaalsContact C-N 3.29Å; L355-N357 PolarHBondContact O-N 3.3Å; L355-R358 HydrophobicContact CD1-CG 4.22Å; L355-R358 HydrophobicContact CG-CG 4.05Å; L355-R358 VanDerWaalsContact CG-NE 3.34Å |
| 356 | Y | 67.9 | Low | 67.5 | Low | 218 Ų | 218 | 142.9 Ų | 142.9 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -19 | -166.4 | -170.1 | -103.1 | 0 | 0 | 0 | 112.2 | N354 | N354-Y356 PolarHBondContact O-N 2.92Š|
| 357 | N | 72.9 | Confident | 67.9 | Low | 156 Ų | 156 | 141.1 Ų | 141.1 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -126.8 | 75.8 | -179.1 | -165.3 | 24.9 | 0 | 0 | 0 | 111.4 | L355 | L355-N357 VanDerWaalsContact C-N 3.29Å; L355-N357 PolarHBondContact O-N 3.3Å | ||
| 358 | R | 76.2 | Confident | 68.3 | Low | 177 Ų | 177 | 141.3 Ų | 141.3 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | trans | -108.5 | 141.8 | 163.2 | -72.9 | -172 | 172.1 | -171.8 | 4 | 109.3 | L355 K360 | L355-R358 HydrophobicContact CD1-CG 4.22Å; L355-R358 HydrophobicContact CG-CG 4.05Å; L355-R358 VanDerWaalsContact CG-NE 3.34Å; R358-K360 PolarHBondContact O-N 2.92Å | ||
| 359 | P | 79.7 | Confident | 68.3 | Low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.6 | 172.2 | 25.7 | -32.9 | 0 | 0 | 0 | 109.6 | V361 | P359-V361 PolarHBondContact O-N 3.3Š|
| 360 | K | 76.2 | Confident | 68.5 | Low | 184 Ų | 184 | 140.1 Ų | 140.1 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.2 | 175.4 | -174.4 | 176.4 | 179.6 | -179.7 | 0 | 108.5 | R358 I362 | R358-K360 PolarHBondContact O-N 2.92Å; K360-I362 PolarHBondContact O-N 3Å |
| 361 | V | 77.9 | Confident | 68.8 | Low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 126.9 | 171.8 | -179.4 | 0 | 0 | 0 | 0 | 107.4 | P359 E363 | P359-V361 PolarHBondContact O-N 3.3Å; V361-E363 PolarHBondContact O-N 3.02Å; V361-E363 VanDerWaalsContact O-N 3.09Å |
| 362 | I | 78.6 | Confident | 69 | Low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | -66.6 | 111 | 174.6 | -60.8 | 171.6 | 0 | 0 | 0 | 106.3 | K360 E364 | K360-I362 PolarHBondContact O-N 3Å; I362-E364 PolarHBondContact O-N 3.12Å; I362-E364 VanDerWaalsContact O-N 3.12Å | ||
| 363 | E | 73.6 | Confident | 69 | Low | 168 Ų | 168 | 140.1 Ų | 140.1 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -67.5 | 108.8 | 174.6 | -69.1 | 176.4 | -169.3 | 0 | 0 | 107.9 | V361 | V361-E363 PolarHBondContact O-N 3.02Å; V361-E363 VanDerWaalsContact O-N 3.09Å | ||
| 364 | E | 71.2 | Confident | 69.2 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 60% | 0.603 | 70% | 0.703 | S | S | * | * | trans | -55.4 | 135.1 | 160.6 | -68.4 | -177.1 | -179.7 | 0 | 0 | 107.2 | I362 A366 K367 | I362-E364 PolarHBondContact O-N 3.12Å; I362-E364 VanDerWaalsContact O-N 3.12Å; E364-A366 PolarHBondContact O-N 2.96Å; E364-A366 VanDerWaalsContact O-N 3.07Å; E364-K367 WeakPolarHBondContact OE2-CE 3.44Å; E364-K367 IonicContact OE2-NZ 3.5Å; E364-K367 PolarHBondContact OE2-NZ 3.37Å | ||
| 365 | P | 70.5 | Confident | 69.2 | Low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -49.3 | 125.7 | -179.9 | 22.6 | -33.8 | 0 | 0 | 0 | 108.4 | K367 | P365-K367 PolarHBondContact O-N 3.03Š|
| 366 | A | 62.2 | Low | 69 | Low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 72% | 0.724 | S | S | * | * | trans | -44 | 108.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E364 | E364-A366 PolarHBondContact O-N 2.96Å; E364-A366 VanDerWaalsContact O-N 3.07Å | ||
| 367 | K | 65.1 | Low | 68.8 | Low | 151 Ų | 151 | 132.2 Ų | 132.2 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 133.9 | 162 | -67.3 | 174.8 | -172.6 | 159.6 | 0 | 105.4 | E364 P365 K369 | E364-K367 WeakPolarHBondContact OE2-CE 3.44Å; E364-K367 IonicContact OE2-NZ 3.5Å; E364-K367 PolarHBondContact OE2-NZ 3.37Å; P365-K367 PolarHBondContact O-N 3.03Å; K367-K369 PolarHBondContact O-N 3.02Å |
| 368 | P | 62.9 | Low | 68.4 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 131.8 | -171.4 | 20.3 | -32.7 | 0 | 0 | 0 | 109.8 | A370 | P368-A370 PolarHBondContact O-N 3.48Š|
| 369 | K | 62.8 | Low | 67.9 | Low | 192 Ų | 192 | 123 Ų | 123 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 130.7 | -172.1 | -65.1 | 179.7 | -174.8 | 178.1 | 0 | 110.3 | K367 I371 | K367-K369 PolarHBondContact O-N 3.02Å; K369-I371 PolarHBondContact O-N 3.42Å; K369-I371 VanDerWaalsContact O-N 3.14Å |
| 370 | A | 64.6 | Low | 67.1 | Low | 95 Ų | 95 | 119 Ų | 119 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P368 R372 | P368-A370 PolarHBondContact O-N 3.48Å; A370-R372 PolarHBondContact O-N 2.98Å; A370-R372 VanDerWaalsContact O-N 3.09Å |
| 371 | I | 62.9 | Low | 66.5 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 49% | 0.487 | 65% | 0.648 | S | S | . | * | trans | -62.1 | 105.8 | -172.8 | -63.9 | -174.4 | 0 | 0 | 0 | 108.7 | K369 V373 P380 V383 | K369-I371 PolarHBondContact O-N 3.42Å; K369-I371 VanDerWaalsContact O-N 3.14Å; I371-V373 PolarHBondContact O-N 2.78Å; I371-P380 HydrophobicContact CG2-CB 3.16Å; I371-P380 HydrophobicContact CG2-CG 3.05Å; I371-V383 HydrophobicContact CG1-CG2 4.3Å; I371-V383 HydrophobicContact CG2-CG2 4.48Å | ||
| 372 | R | 64.3 | Low | 65.7 | Low | 209 Ų | 209 | 117.8 Ų | 117.8 | 79% | 0.789 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 118.2 | 177.4 | -76.5 | -177.6 | 94 | -178.9 | 8.1 | 109.6 | A370 P380 L381 | A370-R372 PolarHBondContact O-N 2.98Å; A370-R372 VanDerWaalsContact O-N 3.09Å; R372-P380 CarbonylContact O-C 3.38Å; R372-P380 WeakPolarHBondContact O-CA 3.39Å; R372-L381 PolarHBondContact O-N 2.93Å |
| 373 | V | 63.4 | Low | 64.8 | Low | 84 Ų | 84 | 114.2 Ų | 114.2 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | B | Isolated β-bridge | trans | -91.5 | 135.7 | -176 | -172 | 0 | 0 | 0 | 0 | 110.4 | I371 G375 G378 | I371-V373 PolarHBondContact O-N 2.78Å; V373-G375 PolarHBondContact O-N 2.82Å; V373-G378 WeakPolarHBondContact CG1-O 3.19Å |
| 374 | S | 67.3 | Low | 64.1 | Low | 24 Ų | 24 | 111 Ų | 111 | 17% | 0.168 | 63% | 0.63 | C | S | . | * | P | Polyproline II helix | trans | -65.1 | 124.5 | 173.4 | 134.1 | 0 | 0 | 0 | 0 | 110 | K376 T377 G378 I379 | S374-K376 PolarHBondContact O-N 2.56Å; S374-K376 PolarHBondContact OG-N 3.22Å; S374-T377 WeakPolarHBondContact CB-OG1 3.49Å; S374-T377 PolarHBondContact O-N 3.25Å; S374-T377 PolarHBondContact OG-N 3.5Å; S374-T377 VanDerWaalsContact OG-N 3.13Å; S374-T377 PolarHBondContact OG-OG1 2.64Å; S374-G378 WeakPolarHBondContact O-CA 3.47Å; S374-G378 PolarHBondContact O-N 2.76Å; S374-I379 WeakPolarHBondContact CB-O 3.49Å; S374-I379 PolarHBondContact N-O 2.93Å |
| 375 | G | 65.7 | Low | 63.5 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -9.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V373 | V373-G375 PolarHBondContact O-N 2.82Š|
| 376 | K | 64.1 | Low | 63.1 | Low | 200 Ų | 200 | 110 Ų | 110 | 87% | 0.87 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -25.7 | 179.8 | -152.8 | 174.9 | -172.5 | 178.2 | 0 | 113.2 | S374 | S374-K376 PolarHBondContact O-N 2.56Å; S374-K376 PolarHBondContact OG-N 3.22Å |
| 377 | T | 63.5 | Low | 62.8 | Low | 91 Ų | 91 | 117.8 Ų | 117.8 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -8.7 | -174.6 | 58 | 0 | 0 | 0 | 0 | 114.3 | S374 I379 | S374-T377 WeakPolarHBondContact CB-OG1 3.49Å; S374-T377 PolarHBondContact O-N 3.25Å; S374-T377 PolarHBondContact OG-N 3.5Å; S374-T377 VanDerWaalsContact OG-N 3.13Å; S374-T377 PolarHBondContact OG-OG1 2.64Å; T377-I379 PolarHBondContact O-N 3.11Å |
| 378 | G | 62.8 | Low | 62.8 | Low | 53 Ų | 53 | 113.2 Ų | 113.2 | 55% | 0.546 | 64% | 0.642 | S | S | . | * | trans | 68.9 | 14.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V373 S374 | V373-G378 WeakPolarHBondContact CG1-O 3.19Å; S374-G378 WeakPolarHBondContact O-CA 3.47Å; S374-G378 PolarHBondContact O-N 2.76Å | ||
| 379 | I | 66.1 | Low | 62.9 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 44% | 0.436 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -102.7 | 135.5 | -176.3 | -56.4 | 170.5 | 0 | 0 | 0 | 111.4 | S374 T377 L381 L384 | S374-I379 WeakPolarHBondContact CB-O 3.49Å; S374-I379 PolarHBondContact N-O 2.93Å; T377-I379 PolarHBondContact O-N 3.11Å; I379-L381 PolarHBondContact O-N 3Å; I379-L384 HydrophobicContact CG2-CD1 3.89Å |
| 380 | P | 64.5 | Low | 63.4 | Low | 37 Ų | 37 | 106.2 Ų | 106.2 | 24% | 0.24 | 61% | 0.608 | C | S | . | * | B | Isolated β-bridge | trans | -54.9 | 119.9 | 169.9 | -33.3 | 43 | 0 | 0 | 0 | 115.3 | I371 R372 V383 | I371-P380 HydrophobicContact CG2-CB 3.16Å; I371-P380 HydrophobicContact CG2-CG 3.05Å; R372-P380 CarbonylContact O-C 3.38Å; R372-P380 WeakPolarHBondContact O-CA 3.39Å; P380-V383 HydrophobicContact CB-CB 4.23Å; P380-V383 HydrophobicContact CB-CG2 4.45Å |
| 381 | L | 62.3 | Low | 63.6 | Low | 108 Ų | 108 | 105.8 Ų | 105.8 | 57% | 0.565 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 138 | 168.8 | -65.6 | 170 | 0 | 0 | 0 | 109.8 | R372 I379 V383 | R372-L381 PolarHBondContact O-N 2.93Å; I379-L381 PolarHBondContact O-N 3Å; L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.69Å |
| 382 | D | 60.6 | Low | 63.8 | Low | 172 Ų | 172 | 109.4 Ų | 109.4 | 92% | 0.92 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.6 | 11.1 | 175.5 | -64.2 | -19.5 | 0 | 0 | 0 | 118.6 | ||
| 383 | V | 60.8 | Low | 64 | Low | 81 Ų | 81 | 104.2 Ų | 104.2 | 49% | 0.491 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -108.5 | -17.4 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | I371 P380 L381 | I371-V383 HydrophobicContact CG1-CG2 4.3Å; I371-V383 HydrophobicContact CG2-CG2 4.48Å; P380-V383 HydrophobicContact CB-CB 4.23Å; P380-V383 HydrophobicContact CB-CG2 4.45Å; L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.69Å |
| 384 | L | 58.1 | Low | 64.3 | Low | 102 Ų | 102 | 102.3 Ų | 102.3 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -102.4 | 138.1 | -179.4 | -62.3 | 175 | 0 | 0 | 0 | 111.1 | I379 | I379-L384 HydrophobicContact CG2-CD1 3.89Š|
| 385 | P | 59.5 | Low | 64.5 | Low | 105 Ų | 105 | 105.9 Ų | 105.9 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | trans | -58.2 | 145.3 | 173.3 | 24.5 | -32.6 | 0 | 0 | 0 | 110.4 | R387 | P385-R387 PolarHBondContact O-N 2.98Š| ||
| 386 | S | 60.9 | Low | 64.5 | Low | 121 Ų | 121 | 111 Ų | 111 | 85% | 0.846 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 113.4 | -177.3 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | G388 | S386-G388 PolarHBondContact O-N 3.23Å; S386-G388 VanDerWaalsContact O-N 3.1Å |
| 387 | R | 57.2 | Low | 64.4 | Low | 260 Ų | 260 | 107.3 Ų | 107.3 | 98% | 0.981 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 21.4 | 71.2 | 167.8 | -158.9 | 173.8 | -177.2 | 154 | -0 | 115.2 | P385 | P385-R387 PolarHBondContact O-N 2.98Š|
| 388 | G | 65.5 | Low | 64.5 | Low | 55 Ų | 55 | 108 Ų | 108 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -133.4 | 155.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S386 T390 | S386-G388 PolarHBondContact O-N 3.23Å; S386-G388 VanDerWaalsContact O-N 3.1Å; G388-T390 PolarHBondContact O-N 2.91Å |
| 389 | L | 64.3 | Low | 64.5 | Low | 109 Ų | 109 | 113.4 Ų | 113.4 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | trans | -54.8 | 130.6 | 173.1 | -73.8 | 108.3 | 0 | 0 | 0 | 109 | Q393 M397 | L389-Q393 HydrophobicContact CB-CB 4.13Å; L389-Q393 HydrophobicContact CD2-CB 4.04Å; L389-M397 HydrophobicContact CD2-SD 3.52Å; L389-M397 VanDerWaalsContact CD2-SD 3.52Å | ||
| 390 | T | 73.8 | Confident | 64.2 | Low | 63 Ų | 63 | 113.9 Ų | 113.9 | 39% | 0.387 | 60% | 0.601 | S | S | . | * | trans | -57.2 | 147.7 | 178 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | G388 K392 Q393 A394 | G388-T390 PolarHBondContact O-N 2.91Å; T390-K392 PolarHBondContact O-N 3.23Å; T390-Q393 VanDerWaalsContact N-OE1 3.16Å; T390-Q393 CarbonylContact O-C 3.59Å; T390-Q393 WeakPolarHBondContact O-CA 3.39Å; T390-Q393 WeakPolarHBondContact O-CB 3.48Å; T390-Q393 PolarHBondContact O-N 3.45Å; T390-Q393 WeakPolarHBondContact OG1-CB 3.47Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.44Å; T390-Q393 PolarHBondContact OG1-N 3.26Å; T390-Q393 PolarHBondContact OG1-OE1 2.96Å; T390-A394 PolarHBondContact O-N 2.92Å | ||
| 391 | A | 67.3 | Low | 64.3 | Low | 86 Ų | 86 | 116.6 Ų | 116.6 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -52.2 | -32.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A394 E395 | A391-A394 PolarHBondContact O-N 3.37Å; A391-E395 PolarHBondContact O-N 3Å |
| 392 | K | 67.4 | Low | 64.2 | Low | 171 Ų | 171 | 117.6 Ų | 117.6 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.5 | -35.4 | 172.1 | -70.6 | -174.4 | 175 | -178.3 | 0 | 113.8 | T390 R396 | T390-K392 PolarHBondContact O-N 3.23Å; K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.15Å |
| 393 | Q | 68 | Low | 64.3 | Low | 99 Ų | 99 | 117.2 Ų | 117.2 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.4 | -38 | 170.8 | -86.2 | 172.4 | -47.3 | 0 | 0 | 112 | L389 T390 R396 M397 | L389-Q393 HydrophobicContact CB-CB 4.13Å; L389-Q393 HydrophobicContact CD2-CB 4.04Å; T390-Q393 VanDerWaalsContact N-OE1 3.16Å; T390-Q393 CarbonylContact O-C 3.59Å; T390-Q393 WeakPolarHBondContact O-CA 3.39Å; T390-Q393 WeakPolarHBondContact O-CB 3.48Å; T390-Q393 PolarHBondContact O-N 3.45Å; T390-Q393 WeakPolarHBondContact OG1-CB 3.47Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.44Å; T390-Q393 PolarHBondContact OG1-N 3.26Å; T390-Q393 PolarHBondContact OG1-OE1 2.96Å; Q393-R396 PolarHBondContact O-N 3.48Å; Q393-M397 PolarHBondContact O-N 2.91Å |
| 394 | A | 70.8 | Confident | 64.2 | Low | 45 Ų | 45 | 119.1 Ų | 119.1 | 37% | 0.372 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.5 | -45.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T390 A391 R396 M397 T398 | T390-A394 PolarHBondContact O-N 2.92Å; A391-A394 PolarHBondContact O-N 3.37Å; A394-R396 VanDerWaalsContact C-N 3.34Å; A394-R396 PolarHBondContact O-N 3.46Å; A394-M397 PolarHBondContact O-N 2.95Å; A394-T398 WeakPolarHBondContact O-CG2 3.43Å; A394-T398 PolarHBondContact O-N 2.92Å; A394-T398 PolarHBondContact O-OG1 3.48Å |
| 395 | E | 70.5 | Confident | 64.5 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 46% | 0.458 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -59.1 | -42.3 | 171.9 | -95.5 | -163.3 | 120.5 | 0 | 0 | 112.6 | A391 M397 T398 R399 | A391-E395 PolarHBondContact O-N 3Å; E395-M397 VanDerWaalsContact C-N 3.34Å; E395-M397 PolarHBondContact O-N 3.12Å; E395-T398 VanDerWaalsContact CA-OG1 3.27Å; E395-T398 WeakPolarHBondContact CA-OG1 3.32Å; E395-T398 PolarHBondContact O-N 3.24Å; E395-T398 PolarHBondContact O-OG1 3.03Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.96Å; E395-R399 IonicContact OE1-NH2 3Å; E395-R399 PolarHBondContact OE1-NH2 3.44Å; E395-R399 IonicContact OE2-NH2 3.37Å |
| 396 | R | 66.3 | Low | 64.4 | Low | 191 Ų | 191 | 117.9 Ų | 117.9 | 72% | 0.721 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.5 | -35.3 | 179.9 | -155.3 | 178.8 | -163.7 | -167.8 | 4.6 | 112.1 | K392 Q393 A394 R399 | K392-R396 WeakPolarHBondContact O-CB 3.31Å; K392-R396 PolarHBondContact O-N 3.15Å; Q393-R396 PolarHBondContact O-N 3.48Å; A394-R396 VanDerWaalsContact C-N 3.34Å; A394-R396 PolarHBondContact O-N 3.46Å; R396-R399 PolarHBondContact O-N 3.03Å |
| 397 | M | 62.9 | Low | 64.5 | Low | 121 Ų | 121 | 122.7 Ų | 122.7 | 60% | 0.596 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.6 | -39.5 | 171.2 | -90.4 | 173.8 | 67.9 | 0 | 0 | 112 | L389 Q393 A394 E395 R399 I400 | L389-M397 HydrophobicContact CD2-SD 3.52Å; L389-M397 VanDerWaalsContact CD2-SD 3.52Å; Q393-M397 PolarHBondContact O-N 2.91Å; A394-M397 PolarHBondContact O-N 2.95Å; E395-M397 VanDerWaalsContact C-N 3.34Å; E395-M397 PolarHBondContact O-N 3.12Å; M397-R399 PolarHBondContact O-N 3.33Å; M397-I400 PolarHBondContact O-N 3.43Å |
| 398 | T | 65.9 | Low | 64.6 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.6 | -14 | 176.5 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | A394 E395 | A394-T398 WeakPolarHBondContact O-CG2 3.43Å; A394-T398 PolarHBondContact O-N 2.92Å; A394-T398 PolarHBondContact O-OG1 3.48Å; E395-T398 VanDerWaalsContact CA-OG1 3.27Å; E395-T398 WeakPolarHBondContact CA-OG1 3.32Å; E395-T398 PolarHBondContact O-N 3.24Å; E395-T398 PolarHBondContact O-OG1 3.03Å |
| 399 | R | 61.3 | Low | 64.3 | Low | 165 Ų | 165 | 116.1 Ų | 116.1 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -11.9 | 174.3 | -74.7 | -179.7 | -166.5 | 159 | 10.5 | 113.5 | E395 R396 M397 N401 | E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.96Å; E395-R399 IonicContact OE1-NH2 3Å; E395-R399 PolarHBondContact OE1-NH2 3.44Å; E395-R399 IonicContact OE2-NH2 3.37Å; R396-R399 PolarHBondContact O-N 3.03Å; M397-R399 PolarHBondContact O-N 3.33Å; R399-N401 PolarHBondContact O-N 3.12Å |
| 400 | I | 59.6 | Low | 64.2 | Low | 96 Ų | 96 | 116.6 Ų | 116.6 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | trans | -85.4 | 90.8 | 170.7 | -60 | 166.4 | 0 | 0 | 0 | 105.4 | M397 D402 L405 | M397-I400 PolarHBondContact O-N 3.43Å; I400-D402 PolarHBondContact O-N 2.77Å; I400-L405 HydrophobicContact CG2-CD2 4.13Å; I400-L405 HydrophobicContact CG2-CG 4.27Å | ||
| 401 | N | 67.3 | Low | 63.9 | Low | 93 Ų | 93 | 122 Ų | 122 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | trans | -66.9 | 130.1 | 165.2 | -81.4 | -40 | 0 | 0 | 0 | 107.2 | R399 L403 D404 | R399-N401 PolarHBondContact O-N 3.12Å; N401-L403 HydrophobicContact CB-CB 4.44Å; N401-L403 PolarHBondContact O-N 3.09Å; N401-D404 PolarHBondContact O-N 3.19Å | ||
| 402 | D | 60.9 | Low | 64.1 | Low | 130 Ų | 130 | 122 Ų | 122 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -13.9 | 174.2 | -73.7 | -35.9 | 0 | 0 | 0 | 112.9 | I400 | I400-D402 PolarHBondContact O-N 2.77Š|
| 403 | L | 62.6 | Low | 64.7 | Low | 164 Ų | 164 | 121.4 Ų | 121.4 | 86% | 0.859 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -25.2 | 172.3 | -63.1 | 174.7 | 0 | 0 | 0 | 113.6 | N401 L405 | N401-L403 HydrophobicContact CB-CB 4.44Å; N401-L403 PolarHBondContact O-N 3.09Å; L403-L405 VanDerWaalsContact C-N 3.33Å |
| 404 | D | 59.2 | Low | 65.3 | Low | 120 Ų | 120 | 122.4 Ų | 122.4 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -87.9 | -6.9 | 178.3 | -62.9 | -25.7 | 0 | 0 | 0 | 111.9 | N401 | N401-D404 PolarHBondContact O-N 3.19Š|
| 405 | L | 62.7 | Low | 65.9 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -74.9 | 134.8 | 172.2 | -67.4 | 175.8 | 0 | 0 | 0 | 109.3 | I400 L403 R407 | I400-L405 HydrophobicContact CG2-CD2 4.13Å; I400-L405 HydrophobicContact CG2-CG 4.27Å; L403-L405 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 2.71Å |
| 406 | P | 58.5 | Low | 66.8 | Low | 94 Ų | 94 | 133.3 Ų | 133.3 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | trans | -64 | 98.6 | -177.6 | 26.1 | -34 | 0 | 0 | 0 | 110.2 | V408 | P406-V408 PolarHBondContact O-N 3.29Å; P406-V408 VanDerWaalsContact O-N 3.12Å | ||
| 407 | R | 62.6 | Low | 67.8 | Low | 222 Ų | 222 | 125.6 Ų | 125.6 | 84% | 0.838 | 64% | 0.639 | S | S | * | * | trans | -76.8 | 95.5 | 166.9 | -92.6 | -174.7 | 172.6 | -155.7 | -0.9 | 107.8 | L405 S409 | L405-R407 PolarHBondContact O-N 2.71Å; R407-S409 PolarHBondContact O-N 3.43Å | ||
| 408 | V | 58.6 | Low | 69.2 | Low | 108 Ų | 108 | 122.1 Ų | 122.1 | 66% | 0.655 | 63% | 0.627 | S | S | * | * | trans | -56.3 | 116.4 | 166.4 | -178.5 | 0 | 0 | 0 | 0 | 107.4 | P406 T410 | P406-V408 PolarHBondContact O-N 3.29Å; P406-V408 VanDerWaalsContact O-N 3.12Å; V408-T410 HydrophobicContact CB-CG2 4.15Å; V408-T410 HydrophobicContact CG1-CG2 3.71Å; V408-T410 PolarHBondContact O-N 3.24Å | ||
| 409 | S | 60.6 | Low | 70.4 | Confident | 70 Ų | 70 | 125.8 Ų | 125.8 | 49% | 0.49 | 63% | 0.634 | S | S | . | * | trans | -63.7 | 87.6 | 169.2 | 174.4 | 0 | 0 | 0 | 0 | 108.9 | R407 Q411 | R407-S409 PolarHBondContact O-N 3.43Å; S409-Q411 PolarHBondContact O-N 3.47Å | ||
| 410 | T | 62.2 | Low | 71.9 | Confident | 119 Ų | 119 | 125.6 Ų | 125.6 | 73% | 0.73 | 64% | 0.64 | S | S | * | * | trans | -88.8 | 18.9 | 177 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | V408 A412 | V408-T410 HydrophobicContact CB-CG2 4.15Å; V408-T410 HydrophobicContact CG1-CG2 3.71Å; V408-T410 PolarHBondContact O-N 3.24Å; T410-A412 PolarHBondContact O-N 3.26Å; T410-A412 VanDerWaalsContact O-N 3.08Å | ||
| 411 | Q | 66.4 | Low | 73.3 | Confident | 175 Ų | 175 | 126.6 Ų | 126.6 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | -66.2 | 114.6 | -178.7 | -68.2 | -170.9 | -8 | 0 | 0 | 110.2 | S409 | S409-Q411 PolarHBondContact O-N 3.47Š| ||
| 412 | A | 72.1 | Confident | 74.2 | Confident | 87 Ų | 87 | 127.5 Ų | 127.5 | 72% | 0.719 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 146.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T410 N414 | T410-A412 PolarHBondContact O-N 3.26Å; T410-A412 VanDerWaalsContact O-N 3.08Å; A412-N414 PolarHBondContact O-N 3.42Å |
| 413 | R | 79.8 | Confident | 75.6 | Confident | 158 Ų | 158 | 130.3 Ų | 130.3 | 60% | 0.596 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 134.4 | 179.7 | 87 | -178.6 | -178.2 | 95.8 | -4.3 | 110.5 | ||
| 414 | N | 81.8 | Confident | 76.9 | Confident | 121 Ų | 121 | 125.2 Ų | 125.2 | 65% | 0.647 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -75 | 132.8 | 165.3 | -70.3 | -20.9 | 0 | 0 | 0 | 109 | A412 E416 | A412-N414 PolarHBondContact O-N 3.42Å; N414-E416 VanDerWaalsContact C-N 3.3Å |
| 415 | K | 83 | Confident | 78.1 | Confident | 179 Ų | 179 | 123.3 Ų | 123.3 | 78% | 0.778 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -22.6 | -177.6 | -71.2 | 172.6 | -178 | 174 | 0 | 112.6 | ||
| 416 | E | 88.6 | Confident | 79.3 | Confident | 192 Ų | 192 | 125.7 Ų | 125.7 | 90% | 0.897 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 23.8 | -176.6 | -60.7 | 180 | 177 | 0 | 0 | 113.1 | N414 | N414-E416 VanDerWaalsContact C-N 3.3Š|
| 417 | E | 87 | Confident | 80.7 | Confident | 29 Ų | 29 | 125.9 Ų | 125.9 | 14% | 0.136 | 61% | 0.605 | C | S | . | * | trans | -65.9 | 140.3 | -179.7 | 68.9 | -178.5 | -166 | 0 | 0 | 112.9 | E421 R422 R425 | E417-E421 HydrophobicContact CB-CB 4.45Å; E417-R422 HydrophobicContact CG-CB 4.32Å; E417-R422 WeakPolarHBondContact OE1-CB 3.16Å; E417-R422 WeakPolarHBondContact OE1-CG 3.44Å; E417-R422 IonicContact OE1-CZ 3.55Å; E417-R422 IonicContact OE1-NE 3.48Å; E417-R422 PolarHBondContact OE1-NE 3.33Å; E417-R422 IonicContact OE1-NH2 3.47Å; E417-R425 IonicContact OE1-CZ 3.16Å; E417-R425 IonicContact OE1-NH1 2.67Å; E417-R425 PolarHBondContact OE1-NH1 3.42Å; E417-R425 IonicContact OE1-NH2 3.23Å; E417-R425 PolarHBondContact OE1-NH2 3.41Å; E417-R425 IonicContact OE2-CZ 3.82Å; E417-R425 IonicContact OE2-NH1 3.03Å; E417-R425 PolarHBondContact OE2-NH1 3.09Å; E417-R425 IonicContact OE2-NH2 3.31Å; E417-R425 PolarHBondContact OE2-NH2 3.34Å | ||
| 418 | S | 93.3 | Very high | 81.9 | Confident | 48 Ų | 48 | 117.8 Ų | 117.8 | 34% | 0.336 | 59% | 0.586 | S | S | . | * | trans | -71.8 | 163.9 | 172.2 | 79.3 | 0 | 0 | 0 | 0 | 111.6 | E420 E421 R422 | S418-E420 VanDerWaalsContact C-N 3.26Å; S418-E420 PolarHBondContact O-N 3.43Å; S418-E421 PolarHBondContact N-OE2 3.49Å; S418-E421 PolarHBondContact O-N 3.15Å; S418-E421 WeakPolarHBondContact OG-CB 3.5Å; S418-E421 VanDerWaalsContact OG-CD 3.25Å; S418-E421 VanDerWaalsContact OG-CG 3.23Å; S418-E421 WeakPolarHBondContact OG-CG 3.22Å; S418-E421 PolarHBondContact OG-N 3.24Å; S418-E421 PolarHBondContact OG-OE1 2.97Å; S418-R422 WeakPolarHBondContact O-CB 3.36Å; S418-R422 PolarHBondContact O-N 2.84Å | ||
| 419 | K | 91.5 | Very high | 83.2 | Confident | 185 Ų | 185 | 115.5 Ų | 115.5 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.2 | -35.1 | 177.6 | -71.6 | -177.1 | -178.2 | 177.8 | 0 | 112.1 | R423 | K419-R423 PolarHBondContact O-N 3.42Å; K419-R423 VanDerWaalsContact O-N 3.16Å |
| 420 | E | 91.6 | Very high | 84.5 | Confident | 161 Ų | 161 | 119.9 Ų | 119.9 | 75% | 0.752 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.3 | -45.2 | 178.6 | -66.4 | -178.6 | 174.2 | 0 | 0 | 111.1 | S418 R422 R423 A424 | S418-E420 VanDerWaalsContact C-N 3.26Å; S418-E420 PolarHBondContact O-N 3.43Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.85Å; E420-R423 WeakPolarHBondContact O-CB 3.37Å; E420-R423 PolarHBondContact O-N 2.97Å; E420-R423 VanDerWaalsContact O-N 3.12Å; E420-A424 PolarHBondContact O-N 2.73Å |
| 421 | E | 89.2 | Confident | 85.6 | Confident | 117 Ų | 117 | 118.8 Ų | 118.8 | 55% | 0.547 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.5 | -39.3 | 174.2 | -72.7 | 163 | -162.5 | 0 | 0 | 112 | E417 S418 R423 A424 R425 | E417-E421 HydrophobicContact CB-CB 4.45Å; S418-E421 PolarHBondContact N-OE2 3.49Å; S418-E421 PolarHBondContact O-N 3.15Å; S418-E421 WeakPolarHBondContact OG-CB 3.5Å; S418-E421 VanDerWaalsContact OG-CD 3.25Å; S418-E421 VanDerWaalsContact OG-CG 3.23Å; S418-E421 WeakPolarHBondContact OG-CG 3.22Å; S418-E421 PolarHBondContact OG-N 3.24Å; S418-E421 PolarHBondContact OG-OE1 2.97Å; E421-R423 VanDerWaalsContact C-N 3.35Å; E421-R423 PolarHBondContact O-N 3.43Å; E421-A424 PolarHBondContact O-N 3.07Å; E421-R425 WeakPolarHBondContact O-CB 3.43Å; E421-R425 PolarHBondContact O-N 3.14Å |
| 422 | R | 86.8 | Confident | 86.5 | Confident | 112 Ų | 112 | 113.9 Ų | 113.9 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 173.8 | 177.5 | 177.1 | -63.8 | 164.6 | 9.4 | 112 | E417 S418 E420 K426 | E417-R422 HydrophobicContact CG-CB 4.32Å; E417-R422 WeakPolarHBondContact OE1-CB 3.16Å; E417-R422 WeakPolarHBondContact OE1-CG 3.44Å; E417-R422 IonicContact OE1-CZ 3.55Å; E417-R422 IonicContact OE1-NE 3.48Å; E417-R422 PolarHBondContact OE1-NE 3.33Å; E417-R422 IonicContact OE1-NH2 3.47Å; S418-R422 WeakPolarHBondContact O-CB 3.36Å; S418-R422 PolarHBondContact O-N 2.84Å; E420-R422 VanDerWaalsContact C-N 3.3Å; E420-R422 PolarHBondContact O-N 2.85Å; R422-K426 WeakPolarHBondContact O-CG 3.41Å; R422-K426 PolarHBondContact O-N 2.81Å; R422-K426 VanDerWaalsContact O-N 3.12Å |
| 423 | R | 90.7 | Very high | 87.1 | Confident | 188 Ų | 188 | 117.5 Ų | 117.5 | 71% | 0.709 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -47.9 | 178.8 | -175.3 | 179.1 | 179 | 175 | 0.8 | 110.2 | K419 E420 E421 R425 K426 Q427 | K419-R423 PolarHBondContact O-N 3.42Å; K419-R423 VanDerWaalsContact O-N 3.16Å; E420-R423 WeakPolarHBondContact O-CB 3.37Å; E420-R423 PolarHBondContact O-N 2.97Å; E420-R423 VanDerWaalsContact O-N 3.12Å; E421-R423 VanDerWaalsContact C-N 3.35Å; E421-R423 PolarHBondContact O-N 3.43Å; R423-R425 PolarHBondContact O-N 3.3Å; R423-K426 PolarHBondContact O-N 3.43Å; R423-Q427 WeakPolarHBondContact O-CB 3.48Å; R423-Q427 PolarHBondContact O-N 2.79Å |
| 424 | A | 89.3 | Confident | 87.4 | Confident | 57 Ų | 57 | 117 Ų | 117 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | E420 E421 K426 Q427 A428 | E420-A424 PolarHBondContact O-N 2.73Å; E421-A424 PolarHBondContact O-N 3.07Å; A424-K426 PolarHBondContact O-N 2.86Å; A424-Q427 PolarHBondContact O-N 3.24Å; A424-A428 WeakPolarHBondContact O-CB 3.16Å; A424-A428 PolarHBondContact O-N 3.48Å |
| 425 | R | 85 | Confident | 87.5 | Confident | 80 Ų | 80 | 117 Ų | 117 | 30% | 0.302 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.8 | -176.9 | -163.6 | 62.5 | -149.6 | -21.2 | 112 | E417 E421 R423 Q427 A428 I429 | E417-R425 IonicContact OE1-CZ 3.16Å; E417-R425 IonicContact OE1-NH1 2.67Å; E417-R425 PolarHBondContact OE1-NH1 3.42Å; E417-R425 IonicContact OE1-NH2 3.23Å; E417-R425 PolarHBondContact OE1-NH2 3.41Å; E417-R425 IonicContact OE2-CZ 3.82Å; E417-R425 IonicContact OE2-NH1 3.03Å; E417-R425 PolarHBondContact OE2-NH1 3.09Å; E417-R425 IonicContact OE2-NH2 3.31Å; E417-R425 PolarHBondContact OE2-NH2 3.34Å; E421-R425 WeakPolarHBondContact O-CB 3.43Å; E421-R425 PolarHBondContact O-N 3.14Å; R423-R425 PolarHBondContact O-N 3.3Å; R425-Q427 VanDerWaalsContact C-N 3.29Å; R425-Q427 PolarHBondContact O-N 3.23Å; R425-A428 PolarHBondContact O-N 3.3Å; R425-I429 HydrophobicContact CG-CD1 4.09Å; R425-I429 WeakPolarHBondContact O-CG1 3.49Å; R425-I429 PolarHBondContact O-N 3.06Å; R425-I429 VanDerWaalsContact O-N 3.09Å |
| 426 | K | 86.6 | Confident | 87.7 | Confident | 137 Ų | 137 | 114.4 Ų | 114.4 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -37 | -179.8 | -76.1 | -170.5 | 174.2 | -167.9 | 0 | 111.6 | R422 R423 A424 K430 | R422-K426 WeakPolarHBondContact O-CG 3.41Å; R422-K426 PolarHBondContact O-N 2.81Å; R422-K426 VanDerWaalsContact O-N 3.12Å; R423-K426 PolarHBondContact O-N 3.43Å; A424-K426 PolarHBondContact O-N 2.86Å; K426-K430 WeakPolarHBondContact O-CB 3.48Å; K426-K430 PolarHBondContact O-N 3.29Å |
| 427 | Q | 89.1 | Confident | 87.6 | Confident | 98 Ų | 98 | 114 Ų | 114 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -47.8 | 175.4 | -179.2 | 173 | -9.9 | 0 | 0 | 111.4 | R423 A424 R425 I429 K430 E431 | R423-Q427 WeakPolarHBondContact O-CB 3.48Å; R423-Q427 PolarHBondContact O-N 2.79Å; A424-Q427 PolarHBondContact O-N 3.24Å; R425-Q427 VanDerWaalsContact C-N 3.29Å; R425-Q427 PolarHBondContact O-N 3.23Å; Q427-I429 VanDerWaalsContact C-N 3.33Å; Q427-I429 PolarHBondContact O-N 2.83Å; Q427-K430 CarbonylContact O-C 3.38Å; Q427-K430 WeakPolarHBondContact O-CA 3.23Å; Q427-K430 WeakPolarHBondContact O-CB 3.49Å; Q427-K430 PolarHBondContact O-N 2.68Å; Q427-E431 HydrophobicContact CG-CG 4.47Å; Q427-E431 VanDerWaalsContact CG-OE1 3.28Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.5Å; Q427-E431 PolarHBondContact NE2-OE1 3.16Å; Q427-E431 PolarHBondContact O-N 3.13Å |
| 428 | A | 86.4 | Confident | 87.6 | Confident | 53 Ų | 53 | 117.1 Ų | 117.1 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.7 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A424 R425 K430 E431 E432 | A424-A428 WeakPolarHBondContact O-CB 3.16Å; A424-A428 PolarHBondContact O-N 3.48Å; R425-A428 PolarHBondContact O-N 3.3Å; A428-K430 VanDerWaalsContact C-N 3.31Å; A428-K430 PolarHBondContact O-N 3.38Å; A428-E431 PolarHBondContact O-N 2.88Å; A428-E432 WeakPolarHBondContact O-CB 3.33Å; A428-E432 PolarHBondContact O-N 3.42Å |
| 429 | I | 86.3 | Confident | 87.3 | Confident | 59 Ų | 59 | 119 Ų | 119 | 30% | 0.303 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -35.9 | 175.2 | -65.6 | 166.5 | 0 | 0 | 0 | 111.4 | R425 Q427 R433 | R425-I429 HydrophobicContact CG-CD1 4.09Å; R425-I429 WeakPolarHBondContact O-CG1 3.49Å; R425-I429 PolarHBondContact O-N 3.06Å; R425-I429 VanDerWaalsContact O-N 3.09Å; Q427-I429 VanDerWaalsContact C-N 3.33Å; Q427-I429 PolarHBondContact O-N 2.83Å; I429-R433 WeakPolarHBondContact O-CB 3.32Å; I429-R433 VanDerWaalsContact O-CG 3.25Å; I429-R433 WeakPolarHBondContact O-CG 3.2Å; I429-R433 PolarHBondContact O-N 2.84Å |
| 430 | K | 87.3 | Confident | 87.3 | Confident | 162 Ų | 162 | 117.8 Ų | 117.8 | 70% | 0.704 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.2 | -40.4 | 178.3 | -168.8 | 178.1 | -179.8 | -177.9 | 0 | 111.1 | K426 Q427 A428 K434 | K426-K430 WeakPolarHBondContact O-CB 3.48Å; K426-K430 PolarHBondContact O-N 3.29Å; Q427-K430 CarbonylContact O-C 3.38Å; Q427-K430 WeakPolarHBondContact O-CA 3.23Å; Q427-K430 WeakPolarHBondContact O-CB 3.49Å; Q427-K430 PolarHBondContact O-N 2.68Å; A428-K430 VanDerWaalsContact C-N 3.31Å; A428-K430 PolarHBondContact O-N 3.38Å; K430-K434 WeakPolarHBondContact O-CB 3.27Å; K430-K434 PolarHBondContact O-N 3.31Å |
| 431 | E | 85 | Confident | 87.4 | Confident | 96 Ų | 96 | 117.3 Ų | 117.3 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -48.4 | 175.3 | -73.2 | 169.1 | -172.2 | 0 | 0 | 111 | Q427 A428 R433 K434 E435 | Q427-E431 HydrophobicContact CG-CG 4.47Å; Q427-E431 VanDerWaalsContact CG-OE1 3.28Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.5Å; Q427-E431 PolarHBondContact NE2-OE1 3.16Å; Q427-E431 PolarHBondContact O-N 3.13Å; A428-E431 PolarHBondContact O-N 2.88Å; E431-R433 VanDerWaalsContact C-N 3.33Å; E431-R433 PolarHBondContact O-N 3.37Å; E431-K434 WeakPolarHBondContact O-CA 3.49Å; E431-K434 WeakPolarHBondContact O-CB 3.3Å; E431-K434 PolarHBondContact O-N 3.08Å; E431-E435 WeakPolarHBondContact O-CG 3.34Å; E431-E435 PolarHBondContact O-N 3.4Å |
| 432 | E | 85.6 | Confident | 87.5 | Confident | 73 Ų | 73 | 114.4 Ų | 114.4 | 34% | 0.341 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.1 | -46.1 | 174.6 | -174.9 | -172 | 173 | 0 | 0 | 111.2 | A428 K434 E435 R436 | A428-E432 WeakPolarHBondContact O-CB 3.33Å; A428-E432 PolarHBondContact O-N 3.42Å; E432-K434 VanDerWaalsContact C-N 3.3Å; E432-K434 PolarHBondContact O-N 3.06Å; E432-E435 PolarHBondContact O-N 3.01Å; E432-R436 WeakPolarHBondContact O-CB 3.49Å; E432-R436 WeakPolarHBondContact O-CG 3.07Å; E432-R436 PolarHBondContact O-N 3.3Å |
| 433 | R | 84.5 | Confident | 87.8 | Confident | 163 Ų | 163 | 113.4 Ų | 113.4 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -35.6 | 175.6 | -76.1 | 176.2 | 176.6 | -164.6 | -1.7 | 112.7 | I429 E431 R437 | I429-R433 WeakPolarHBondContact O-CB 3.32Å; I429-R433 VanDerWaalsContact O-CG 3.25Å; I429-R433 WeakPolarHBondContact O-CG 3.2Å; I429-R433 PolarHBondContact O-N 2.84Å; E431-R433 VanDerWaalsContact C-N 3.33Å; E431-R433 PolarHBondContact O-N 3.37Å; R433-R437 VanDerWaalsContact O-CG 3.3Å; R433-R437 WeakPolarHBondContact O-CG 3.46Å; R433-R437 PolarHBondContact O-N 2.84Å; R433-R437 VanDerWaalsContact O-N 3.13Å |
| 434 | K | 86 | Confident | 88 | Confident | 147 Ų | 147 | 112.3 Ų | 112.3 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -48.7 | 177.2 | -174.7 | -176.3 | 176.5 | -174.6 | 0 | 110.2 | K430 E431 E432 R436 R437 V438 | K430-K434 WeakPolarHBondContact O-CB 3.27Å; K430-K434 PolarHBondContact O-N 3.31Å; E431-K434 WeakPolarHBondContact O-CA 3.49Å; E431-K434 WeakPolarHBondContact O-CB 3.3Å; E431-K434 PolarHBondContact O-N 3.08Å; E432-K434 VanDerWaalsContact C-N 3.3Å; E432-K434 PolarHBondContact O-N 3.06Å; K434-R436 VanDerWaalsContact C-N 3.33Å; K434-R436 PolarHBondContact O-N 3.13Å; K434-R437 WeakPolarHBondContact O-CB 3.49Å; K434-R437 PolarHBondContact O-N 2.94Å; K434-R437 VanDerWaalsContact O-N 3.16Å; K434-V438 WeakPolarHBondContact O-CG2 3.44Å; K434-V438 PolarHBondContact O-N 2.94Å; K434-V438 VanDerWaalsContact O-N 3.08Å |
| 435 | E | 85.3 | Confident | 88.2 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.6 | -45.3 | 176.1 | -70.3 | 175 | 173.4 | 0 | 0 | 111.2 | E431 E432 R437 V438 E439 | E431-E435 WeakPolarHBondContact O-CG 3.34Å; E431-E435 PolarHBondContact O-N 3.4Å; E432-E435 PolarHBondContact O-N 3.01Å; E435-R437 VanDerWaalsContact C-N 3.31Å; E435-R437 PolarHBondContact O-N 3.49Å; E435-V438 WeakPolarHBondContact O-CA 3.46Å; E435-V438 WeakPolarHBondContact O-CB 3.46Å; E435-V438 PolarHBondContact O-N 2.87Å; E435-E439 WeakPolarHBondContact O-CG 3.34Å; E435-E439 PolarHBondContact O-N 3.35Å |
| 436 | R | 85.9 | Confident | 88.7 | Confident | 125 Ų | 125 | 112.3 Ų | 112.3 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 177.5 | -67.1 | -67.2 | -69.5 | 150 | -6.9 | 113.6 | E432 K434 E439 K440 | E432-R436 WeakPolarHBondContact O-CB 3.49Å; E432-R436 WeakPolarHBondContact O-CG 3.07Å; E432-R436 PolarHBondContact O-N 3.3Å; K434-R436 VanDerWaalsContact C-N 3.33Å; K434-R436 PolarHBondContact O-N 3.13Å; R436-E439 WeakPolarHBondContact CD-OE2 3.46Å; R436-E439 IonicContact CZ-OE2 2.82Å; R436-E439 IonicContact NE-OE2 3.61Å; R436-E439 IonicContact NH1-OE2 3.65Å; R436-E439 PolarHBondContact NH1-OE2 2.87Å; R436-K440 VanDerWaalsContact O-CB 3.27Å; R436-K440 WeakPolarHBondContact O-CB 3.44Å; R436-K440 PolarHBondContact O-N 2.98Å |
| 437 | R | 86.4 | Confident | 89.1 | Confident | 184 Ų | 184 | 113.5 Ų | 113.5 | 69% | 0.694 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.2 | -40.8 | 173 | -71.8 | 171 | -168.5 | 176.4 | 0.3 | 111.2 | R433 K434 E435 K440 K441 | R433-R437 VanDerWaalsContact O-CG 3.3Å; R433-R437 WeakPolarHBondContact O-CG 3.46Å; R433-R437 PolarHBondContact O-N 2.84Å; R433-R437 VanDerWaalsContact O-N 3.13Å; K434-R437 WeakPolarHBondContact O-CB 3.49Å; K434-R437 PolarHBondContact O-N 2.94Å; K434-R437 VanDerWaalsContact O-N 3.16Å; E435-R437 VanDerWaalsContact C-N 3.31Å; E435-R437 PolarHBondContact O-N 3.49Å; R437-K440 PolarHBondContact O-N 2.69Å; R437-K441 WeakPolarHBondContact O-CB 3.45Å; R437-K441 PolarHBondContact O-N 2.99Å |
| 438 | V | 87.4 | Confident | 89.5 | Confident | 94 Ų | 94 | 115.9 Ų | 115.9 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | K434 E435 K440 K441 A442 | K434-V438 WeakPolarHBondContact O-CG2 3.44Å; K434-V438 PolarHBondContact O-N 2.94Å; K434-V438 VanDerWaalsContact O-N 3.08Å; E435-V438 WeakPolarHBondContact O-CA 3.46Å; E435-V438 WeakPolarHBondContact O-CB 3.46Å; E435-V438 PolarHBondContact O-N 2.87Å; V438-K440 PolarHBondContact O-N 2.97Å; V438-K441 WeakPolarHBondContact O-CB 3.38Å; V438-K441 PolarHBondContact O-N 3.33Å; V438-K441 VanDerWaalsContact O-N 3.15Å; V438-A442 WeakPolarHBondContact O-CB 3.33Å; V438-A442 PolarHBondContact O-N 3.38Å |
| 439 | E | 87.3 | Confident | 89.9 | Confident | 87 Ų | 87 | 120 Ų | 120 | 41% | 0.407 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.8 | -43.5 | 175.2 | -72.3 | 175.1 | -175.8 | 0 | 0 | 112.3 | E435 R436 K441 A442 N443 | E435-E439 WeakPolarHBondContact O-CG 3.34Å; E435-E439 PolarHBondContact O-N 3.35Å; R436-E439 WeakPolarHBondContact CD-OE2 3.46Å; R436-E439 IonicContact CZ-OE2 2.82Å; R436-E439 IonicContact NE-OE2 3.61Å; R436-E439 IonicContact NH1-OE2 3.65Å; R436-E439 PolarHBondContact NH1-OE2 2.87Å; E439-K441 VanDerWaalsContact C-N 3.29Å; E439-K441 PolarHBondContact O-N 2.88Å; E439-A442 PolarHBondContact O-N 3.35Å; E439-N443 WeakPolarHBondContact O-CB 3.41Å; E439-N443 VanDerWaalsContact O-CG 3.3Å; E439-N443 PolarHBondContact O-N 3Å; E439-N443 PolarHBondContact O-ND2 3.01Å |
| 440 | K | 91.1 | Very high | 90.3 | Very high | 160 Ų | 160 | 120.5 Ų | 120.5 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -40.9 | 175.9 | -175.1 | 179.7 | 180 | -178.2 | 0 | 111.2 | R436 R437 V438 K444 | R436-K440 VanDerWaalsContact O-CB 3.27Å; R436-K440 WeakPolarHBondContact O-CB 3.44Å; R436-K440 PolarHBondContact O-N 2.98Å; R437-K440 PolarHBondContact O-N 2.69Å; V438-K440 PolarHBondContact O-N 2.97Å; K440-K444 WeakPolarHBondContact O-CB 3.32Å; K440-K444 PolarHBondContact O-N 3.49Å |
| 441 | K | 93.3 | Very high | 90.7 | Very high | 152 Ų | 152 | 118.9 Ų | 118.9 | 66% | 0.661 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -47.5 | 176.5 | -171 | 177.8 | 179.4 | -177.3 | 0 | 110.9 | R437 V438 E439 N443 K444 L445 | R437-K441 WeakPolarHBondContact O-CB 3.45Å; R437-K441 PolarHBondContact O-N 2.99Å; V438-K441 WeakPolarHBondContact O-CB 3.38Å; V438-K441 PolarHBondContact O-N 3.33Å; V438-K441 VanDerWaalsContact O-N 3.15Å; E439-K441 VanDerWaalsContact C-N 3.29Å; E439-K441 PolarHBondContact O-N 2.88Å; K441-N443 PolarHBondContact O-N 2.96Å; K441-K444 PolarHBondContact O-N 2.88Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 2.76Å |
| 442 | A | 93.1 | Very high | 91.3 | Very high | 55 Ų | 55 | 118.5 Ų | 118.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.5 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | V438 E439 K444 L445 A446 | V438-A442 WeakPolarHBondContact O-CB 3.33Å; V438-A442 PolarHBondContact O-N 3.38Å; E439-A442 PolarHBondContact O-N 3.35Å; A442-K444 PolarHBondContact O-N 3.42Å; A442-L445 PolarHBondContact O-N 3.05Å; A442-A446 PolarHBondContact O-N 3.22Å |
| 443 | N | 93.4 | Very high | 91.8 | Very high | 92 Ų | 92 | 121.4 Ų | 121.4 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.8 | -42.6 | 176.2 | -74.4 | -28.6 | 0 | 0 | 0 | 111.8 | E439 K441 L445 A446 F447 | E439-N443 WeakPolarHBondContact O-CB 3.41Å; E439-N443 VanDerWaalsContact O-CG 3.3Å; E439-N443 PolarHBondContact O-N 3Å; E439-N443 PolarHBondContact O-ND2 3.01Å; K441-N443 PolarHBondContact O-N 2.96Å; N443-L445 VanDerWaalsContact C-N 3.29Å; N443-L445 PolarHBondContact O-N 2.99Å; N443-A446 PolarHBondContact O-N 2.97Å; N443-F447 WeakPolarHBondContact O-CD2 3.39Å; N443-F447 PolarHBondContact O-N 3.48Å |
| 444 | K | 94 | Very high | 92.2 | Very high | 165 Ų | 165 | 118.7 Ų | 118.7 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.1 | -40 | 177.2 | -170.3 | 176.7 | -177.9 | -176.8 | 0 | 111.7 | K440 K441 A442 K448 | K440-K444 WeakPolarHBondContact O-CB 3.32Å; K440-K444 PolarHBondContact O-N 3.49Å; K441-K444 PolarHBondContact O-N 2.88Å; A442-K444 PolarHBondContact O-N 3.42Å; K444-K448 WeakPolarHBondContact O-CB 3.43Å; K444-K448 PolarHBondContact O-N 2.93Å; K444-K448 VanDerWaalsContact O-N 3.12Å |
| 445 | L | 93.6 | Very high | 92.6 | Very high | 87 Ų | 87 | 116.7 Ų | 116.7 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.1 | -47.8 | 175.6 | -69.3 | 173.6 | 0 | 0 | 0 | 111.6 | K441 A442 N443 F447 K448 E449 | K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 2.76Å; A442-L445 PolarHBondContact O-N 3.05Å; N443-L445 VanDerWaalsContact C-N 3.29Å; N443-L445 PolarHBondContact O-N 2.99Å; L445-F447 VanDerWaalsContact C-N 3.31Å; L445-F447 PolarHBondContact O-N 3.47Å; L445-K448 WeakPolarHBondContact O-CA 3.42Å; L445-K448 WeakPolarHBondContact O-CB 3.28Å; L445-K448 PolarHBondContact O-N 3.03Å; L445-E449 PolarHBondContact O-N 3.32Å |
| 446 | A | 94.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 118.3 Ų | 118.3 | 41% | 0.413 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57.7 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A442 N443 E450 | A442-A446 PolarHBondContact O-N 3.22Å; N443-A446 PolarHBondContact O-N 2.97Å; A446-E450 WeakPolarHBondContact O-CB 3.17Å; A446-E450 PolarHBondContact O-N 3.28Å |
| 447 | F | 95.8 | Very high | 93.5 | Very high | 162 Ų | 162 | 117.1 Ų | 117.1 | 71% | 0.711 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.3 | -34.2 | 175 | -89.6 | -85.3 | 0 | 0 | 0 | 112.9 | N443 L445 K451 | N443-F447 WeakPolarHBondContact O-CD2 3.39Å; N443-F447 PolarHBondContact O-N 3.48Å; L445-F447 VanDerWaalsContact C-N 3.31Å; L445-F447 PolarHBondContact O-N 3.47Å; F447-K451 WeakPolarHBondContact O-CB 3.25Å; F447-K451 PolarHBondContact O-N 3.3Å |
| 448 | K | 96.6 | Very high | 93.6 | Very high | 147 Ų | 147 | 113.2 Ų | 113.2 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.4 | -45.1 | 176 | -171.3 | -179 | 178.8 | -173.7 | 0 | 110.9 | K444 L445 K451 V452 | K444-K448 WeakPolarHBondContact O-CB 3.43Å; K444-K448 PolarHBondContact O-N 2.93Å; K444-K448 VanDerWaalsContact O-N 3.12Å; L445-K448 WeakPolarHBondContact O-CA 3.42Å; L445-K448 WeakPolarHBondContact O-CB 3.28Å; L445-K448 PolarHBondContact O-N 3.03Å; K448-K451 PolarHBondContact O-N 3.43Å; K448-V452 WeakPolarHBondContact O-CG2 3.38Å; K448-V452 PolarHBondContact O-N 3.31Å; K448-V452 VanDerWaalsContact O-N 3.16Å |
| 449 | E | 95.6 | Very high | 93.8 | Very high | 140 Ų | 140 | 114.3 Ų | 114.3 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 176.8 | -71.1 | 173.9 | -170.6 | 0 | 0 | 112.1 | L445 K451 V452 R453 | L445-E449 PolarHBondContact O-N 3.32Å; E449-K451 VanDerWaalsContact C-N 3.32Å; E449-K451 PolarHBondContact O-N 2.94Å; E449-V452 PolarHBondContact O-N 2.77Å; E449-R453 PolarHBondContact O-N 3.28Å |
| 450 | E | 94.7 | Very high | 94 | Very high | 69 Ų | 69 | 114.3 Ų | 114.3 | 32% | 0.322 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 179.2 | -174 | 60.2 | -162.7 | 0 | 0 | 111.8 | A446 R453 Q454 | A446-E450 WeakPolarHBondContact O-CB 3.17Å; A446-E450 PolarHBondContact O-N 3.28Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.93Å; E450-R453 IonicContact OE1-CZ 2.64Å; E450-R453 IonicContact OE1-NE 3.62Å; E450-R453 PolarHBondContact OE1-NE 3.22Å; E450-R453 IonicContact OE1-NH2 3.25Å; E450-R453 PolarHBondContact OE1-NH2 2.81Å; E450-R453 IonicContact OE2-CZ 3.28Å; E450-R453 VanDerWaalsContact OE2-CZ 3.25Å; E450-R453 IonicContact OE2-NE 3.8Å; E450-R453 PolarHBondContact OE2-NE 3.27Å; E450-R453 IonicContact OE2-NH2 2.74Å; E450-R453 PolarHBondContact OE2-NH2 3.12Å; E450-Q454 WeakPolarHBondContact O-CG 3.45Å; E450-Q454 PolarHBondContact O-N 2.88Å |
| 451 | K | 96.8 | Very high | 93.8 | Very high | 129 Ų | 129 | 111 Ų | 111 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.6 | -49.8 | 173 | 179.1 | 178.2 | 172.5 | 178.8 | 0 | 111.2 | F447 K448 E449 R453 Q454 E455 | F447-K451 WeakPolarHBondContact O-CB 3.25Å; F447-K451 PolarHBondContact O-N 3.3Å; K448-K451 PolarHBondContact O-N 3.43Å; E449-K451 VanDerWaalsContact C-N 3.32Å; E449-K451 PolarHBondContact O-N 2.94Å; K451-R453 VanDerWaalsContact C-N 3.28Å; K451-R453 PolarHBondContact O-N 2.84Å; K451-Q454 PolarHBondContact O-N 3.4Å; K451-E455 WeakPolarHBondContact CE-OE1 3.33Å; K451-E455 IonicContact NZ-OE1 2.98Å; K451-E455 WeakPolarHBondContact O-CG 3.35Å; K451-E455 PolarHBondContact O-N 3.47Å |
| 452 | V | 95.8 | Very high | 93.3 | Very high | 87 Ų | 87 | 112.2 Ų | 112.2 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 177.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | K448 E449 Q454 E455 K456 | K448-V452 WeakPolarHBondContact O-CG2 3.38Å; K448-V452 PolarHBondContact O-N 3.31Å; K448-V452 VanDerWaalsContact O-N 3.16Å; E449-V452 PolarHBondContact O-N 2.77Å; V452-Q454 PolarHBondContact O-N 3.3Å; V452-E455 PolarHBondContact O-N 3.09Å; V452-K456 WeakPolarHBondContact O-CB 3.36Å; V452-K456 PolarHBondContact O-N 2.88Å |
| 453 | R | 96 | Very high | 92.9 | Very high | 135 Ų | 135 | 113.7 Ų | 113.7 | 51% | 0.509 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.8 | -167.4 | -178.3 | 79.5 | 151.5 | 1.5 | 112.2 | E449 E450 K451 K456 Q457 | E449-R453 PolarHBondContact O-N 3.28Å; E450-R453 WeakPolarHBondContact O-CB 3.27Å; E450-R453 PolarHBondContact O-N 2.93Å; E450-R453 IonicContact OE1-CZ 2.64Å; E450-R453 IonicContact OE1-NE 3.62Å; E450-R453 PolarHBondContact OE1-NE 3.22Å; E450-R453 IonicContact OE1-NH2 3.25Å; E450-R453 PolarHBondContact OE1-NH2 2.81Å; E450-R453 IonicContact OE2-CZ 3.28Å; E450-R453 VanDerWaalsContact OE2-CZ 3.25Å; E450-R453 IonicContact OE2-NE 3.8Å; E450-R453 PolarHBondContact OE2-NE 3.27Å; E450-R453 IonicContact OE2-NH2 2.74Å; E450-R453 PolarHBondContact OE2-NH2 3.12Å; K451-R453 VanDerWaalsContact C-N 3.28Å; K451-R453 PolarHBondContact O-N 2.84Å; R453-K456 PolarHBondContact O-N 3.46Å; R453-Q457 WeakPolarHBondContact O-CG 3.35Å; R453-Q457 PolarHBondContact O-N 3.45Å |
| 454 | Q | 94.6 | Very high | 92.3 | Very high | 105 Ų | 105 | 114.9 Ų | 114.9 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 178.7 | -73.1 | -179 | 13.7 | 0 | 0 | 111.9 | E450 K451 V452 K456 Q457 M458 | E450-Q454 WeakPolarHBondContact O-CG 3.45Å; E450-Q454 PolarHBondContact O-N 2.88Å; K451-Q454 PolarHBondContact O-N 3.4Å; V452-Q454 PolarHBondContact O-N 3.3Å; Q454-K456 VanDerWaalsContact C-N 3.32Å; Q454-K456 PolarHBondContact O-N 3.26Å; Q454-Q457 PolarHBondContact O-N 2.9Å; Q454-M458 WeakPolarHBondContact O-CB 3.45Å; Q454-M458 VanDerWaalsContact O-CG 3.32Å; Q454-M458 WeakPolarHBondContact O-CG 3.48Å; Q454-M458 PolarHBondContact O-N 3.47Å |
| 455 | E | 94.1 | Very high | 91.2 | Very high | 106 Ų | 106 | 111.9 Ų | 111.9 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.5 | -73.8 | 172.2 | 176.8 | 0 | 0 | 111.3 | K451 V452 Q457 M458 L459 | K451-E455 WeakPolarHBondContact CE-OE1 3.33Å; K451-E455 IonicContact NZ-OE1 2.98Å; K451-E455 WeakPolarHBondContact O-CG 3.35Å; K451-E455 PolarHBondContact O-N 3.47Å; V452-E455 PolarHBondContact O-N 3.09Å; E455-Q457 PolarHBondContact O-N 3.43Å; E455-M458 PolarHBondContact O-N 3.05Å; E455-L459 WeakPolarHBondContact O-CB 3.36Å; E455-L459 PolarHBondContact O-N 3.12Å |
| 456 | K | 95.6 | Very high | 89.5 | Confident | 154 Ų | 154 | 116.4 Ų | 116.4 | 67% | 0.67 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.7 | -42.9 | 175.4 | -173 | 174.4 | -177.3 | 173.8 | 0 | 112.3 | V452 R453 Q454 L459 N460 | V452-K456 WeakPolarHBondContact O-CB 3.36Å; V452-K456 PolarHBondContact O-N 2.88Å; R453-K456 PolarHBondContact O-N 3.46Å; Q454-K456 VanDerWaalsContact C-N 3.32Å; Q454-K456 PolarHBondContact O-N 3.26Å; K456-L459 PolarHBondContact O-N 3.12Å; K456-N460 WeakPolarHBondContact O-CB 3.39Å; K456-N460 PolarHBondContact O-N 2.88Å |
| 457 | Q | 93.1 | Very high | 88 | Confident | 99 Ų | 99 | 117 Ų | 117 | 46% | 0.463 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -45.8 | 176.4 | -73.6 | 176.6 | 1 | 0 | 0 | 111.3 | R453 Q454 E455 L459 N460 L461 | R453-Q457 WeakPolarHBondContact O-CG 3.35Å; R453-Q457 PolarHBondContact O-N 3.45Å; Q454-Q457 PolarHBondContact O-N 2.9Å; E455-Q457 PolarHBondContact O-N 3.43Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-L459 PolarHBondContact O-N 2.9Å; Q457-N460 WeakPolarHBondContact O-CB 3.43Å; Q457-N460 PolarHBondContact O-N 3.1Å; Q457-L461 VanDerWaalsContact O-CG 3.32Å; Q457-L461 WeakPolarHBondContact O-CG 3.41Å; Q457-L461 PolarHBondContact O-N 3.45Å |
| 458 | M | 90.1 | Very high | 86 | Confident | 102 Ų | 102 | 116.5 Ų | 116.5 | 50% | 0.502 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.2 | -41.6 | 178 | -73.2 | -61.7 | -65.5 | 0 | 0 | 112.2 | Q454 E455 L461 R462 | Q454-M458 WeakPolarHBondContact O-CB 3.45Å; Q454-M458 VanDerWaalsContact O-CG 3.32Å; Q454-M458 WeakPolarHBondContact O-CG 3.48Å; Q454-M458 PolarHBondContact O-N 3.47Å; E455-M458 PolarHBondContact O-N 3.05Å; M458-L461 PolarHBondContact O-N 2.82Å; M458-L461 HydrophobicContact SD-CD1 4.25Å; M458-R462 WeakPolarHBondContact O-CG 3.48Å; M458-R462 PolarHBondContact O-N 3.19Å |
| 459 | L | 90.3 | Very high | 84.1 | Confident | 117 Ų | 117 | 119.2 Ų | 119.2 | 61% | 0.613 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.9 | -45.9 | 174.2 | -166.2 | 114 | 0 | 0 | 0 | 111 | E455 K456 Q457 L461 R462 T463 | E455-L459 WeakPolarHBondContact O-CB 3.36Å; E455-L459 PolarHBondContact O-N 3.12Å; K456-L459 PolarHBondContact O-N 3.12Å; Q457-L459 VanDerWaalsContact C-N 3.34Å; Q457-L459 PolarHBondContact O-N 2.9Å; L459-L461 VanDerWaalsContact C-N 3.32Å; L459-L461 PolarHBondContact O-N 3.16Å; L459-R462 PolarHBondContact O-N 3.44Å; L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.31Å; L459-T463 PolarHBondContact O-OG1 3.38Å |
| 460 | N | 91.1 | Very high | 81.6 | Confident | 87 Ų | 87 | 123.6 Ų | 123.6 | 47% | 0.465 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.9 | -35 | 178.9 | -126.7 | -5.4 | 0 | 0 | 0 | 113 | K456 Q457 T463 N464 | K456-N460 WeakPolarHBondContact O-CB 3.39Å; K456-N460 PolarHBondContact O-N 2.88Å; Q457-N460 WeakPolarHBondContact O-CB 3.43Å; Q457-N460 PolarHBondContact O-N 3.1Å; N460-T463 WeakPolarHBondContact CA-OG1 3.44Å; N460-T463 PolarHBondContact O-OG1 2.95Å; N460-T463 VanDerWaalsContact O-OG1 3.1Å; N460-N464 VanDerWaalsContact O-CB 3.28Å; N460-N464 WeakPolarHBondContact O-CB 3.43Å; N460-N464 PolarHBondContact O-N 3.08Å; N460-N464 VanDerWaalsContact O-N 3.1Å; N460-N464 PolarHBondContact O-ND2 2.82Å; N460-N464 PolarHBondContact OD1-ND2 3.47Å |
| 461 | L | 87.7 | Confident | 80.9 | Confident | 90 Ų | 90 | 126.4 Ų | 126.4 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.4 | -44 | 174.1 | -65.8 | 172.2 | 0 | 0 | 0 | 110.5 | Q457 M458 L459 T463 N464 I465 | Q457-L461 VanDerWaalsContact O-CG 3.32Å; Q457-L461 WeakPolarHBondContact O-CG 3.41Å; Q457-L461 PolarHBondContact O-N 3.45Å; M458-L461 PolarHBondContact O-N 2.82Å; M458-L461 HydrophobicContact SD-CD1 4.25Å; L459-L461 VanDerWaalsContact C-N 3.32Å; L459-L461 PolarHBondContact O-N 3.16Å; L461-T463 PolarHBondContact O-N 3.41Å; L461-N464 PolarHBondContact O-N 3.37Å; L461-I465 HydrophobicContact CB-CD1 4.25Å; L461-I465 HydrophobicContact CD2-CD1 3.33Å; L461-I465 HydrophobicContact CD2-CG1 4.46Å; L461-I465 HydrophobicContact CG-CD1 4.37Å; L461-I465 VanDerWaalsContact O-CB 3.25Å; L461-I465 WeakPolarHBondContact O-CB 3.23Å; L461-I465 PolarHBondContact O-N 2.67Å |
| 462 | R | 83.8 | Confident | 80.1 | Confident | 178 Ų | 178 | 126.2 Ų | 126.2 | 67% | 0.672 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.8 | -43.4 | 177.1 | -73.8 | 179.4 | 177.8 | -179.7 | -0.8 | 112 | M458 L459 | M458-R462 WeakPolarHBondContact O-CG 3.48Å; M458-R462 PolarHBondContact O-N 3.19Å; L459-R462 PolarHBondContact O-N 3.44Å |
| 463 | T | 84.4 | Confident | 79.2 | Confident | 87 Ų | 87 | 128.4 Ų | 128.4 | 53% | 0.534 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.9 | -37.4 | -178.9 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | L459 N460 L461 | L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.31Å; L459-T463 PolarHBondContact O-OG1 3.38Å; N460-T463 WeakPolarHBondContact CA-OG1 3.44Å; N460-T463 PolarHBondContact O-OG1 2.95Å; N460-T463 VanDerWaalsContact O-OG1 3.1Å; L461-T463 PolarHBondContact O-N 3.41Å |
| 464 | N | 79.6 | Confident | 78.2 | Confident | 117 Ų | 117 | 128 Ų | 128 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -102.5 | -14.4 | -168.2 | -58.9 | -34 | 0 | 0 | 0 | 114.5 | N460 L461 | N460-N464 VanDerWaalsContact O-CB 3.28Å; N460-N464 WeakPolarHBondContact O-CB 3.43Å; N460-N464 PolarHBondContact O-N 3.08Å; N460-N464 VanDerWaalsContact O-N 3.1Å; N460-N464 PolarHBondContact O-ND2 2.82Å; N460-N464 PolarHBondContact OD1-ND2 3.47Å; L461-N464 PolarHBondContact O-N 3.37Å |
| 465 | I | 70.6 | Confident | 77.2 | Confident | 102 Ų | 102 | 129.4 Ų | 129.4 | 52% | 0.523 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -109 | -4.9 | -174.6 | -56.1 | -179.1 | 0 | 0 | 0 | 113 | L461 G467 | L461-I465 HydrophobicContact CB-CD1 4.25Å; L461-I465 HydrophobicContact CD2-CD1 3.33Å; L461-I465 HydrophobicContact CD2-CG1 4.46Å; L461-I465 HydrophobicContact CG-CD1 4.37Å; L461-I465 VanDerWaalsContact O-CB 3.25Å; L461-I465 WeakPolarHBondContact O-CB 3.23Å; L461-I465 PolarHBondContact O-N 2.67Å; I465-G467 PolarHBondContact O-N 3.37Å |
| 466 | Q | 58.8 | Low | 76.1 | Confident | 181 Ų | 181 | 131 Ų | 131 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | trans | -73.2 | 73.5 | 167.9 | -85.4 | -176.5 | -18.9 | 0 | 0 | 111 | ||||
| 467 | G | 63.7 | Low | 74.7 | Confident | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 66% | 0.662 | S | S | * | * | trans | -175.4 | 33.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I465 K469 | I465-G467 PolarHBondContact O-N 3.37Å; G467-K469 PolarHBondContact O-N 3.02Å; G467-K469 VanDerWaalsContact O-N 3.14Å | ||
| 468 | L | 52.5 | Low | 73.3 | Confident | 150 Ų | 150 | 131.7 Ų | 131.7 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -76.7 | 94.5 | 163.7 | -95.4 | 147.8 | 0 | 0 | 0 | 108.5 | L470 | L468-L470 PolarHBondContact O-N 3.49Å; L468-L470 VanDerWaalsContact O-N 3.15Å | ||
| 469 | K | 58.3 | Low | 71.9 | Confident | 205 Ų | 205 | 134.2 Ų | 134.2 | 89% | 0.891 | 69% | 0.692 | S | S | * | * | trans | -68.3 | 100.1 | 158 | -77.9 | -179.3 | 176.7 | 176.9 | 0 | 107.4 | G467 | G467-K469 PolarHBondContact O-N 3.02Å; G467-K469 VanDerWaalsContact O-N 3.14Å | ||
| 470 | L | 41.7 | Very low | 70.2 | Confident | 232 Ų | 232 | 135.7 Ų | 135.7 | 100% | 1.215 | 70% | 0.699 | S | S | * | * | trans | -69.8 | 0 | 162.6 | -99.1 | 147.1 | 0 | 0 | 0 | 110.4 | L468 | L468-L470 PolarHBondContact O-N 3.49Å; L468-L470 VanDerWaalsContact O-N 3.15Å |
Retrieved 470 of 470 residues in 105.5 ms
(Link to these results)