| 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 | 46 | Very low | 56.8 | Low | 211 Ų | 211 | 107.8 Ų | 107.8 | 100% | 1.039 | 68% | 0.676 | S | S | * | * | 0 | 125.9 | 0 | -177.5 | 179.4 | -73.4 | 0 | 0 | 107.2 | L3 | M1-L3 HydrophobicContact CG-CD2 4.14Å; M1-L3 HydrophobicContact CG-CG 4.37Å; M1-L3 HydrophobicContact SD-CD2 3.93Å | |||
| 2 | I | 48.8 | Very low | 58.8 | Low | 146 Ų | 146 | 111.8 Ų | 111.8 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | trans | -80.2 | 127.8 | 176.6 | -59.3 | 172.1 | 0 | 0 | 0 | 107.2 | ||||
| 3 | L | 56.3 | Low | 60.6 | Low | 95 Ų | 95 | 108.2 Ų | 108.2 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | trans | -116.9 | 6.1 | -170.7 | -72.2 | 169.3 | 0 | 0 | 0 | 114 | M1 L13 Y26 | M1-L3 HydrophobicContact CG-CD2 4.14Å; M1-L3 HydrophobicContact CG-CG 4.37Å; M1-L3 HydrophobicContact SD-CD2 3.93Å; L3-L13 HydrophobicContact CB-CD1 3.68Å; L3-L13 WeakPolarHBondContact O-CD1 3.43Å; L3-Y26 HydrophobicContact CD1-CE1 3.93Å | ||
| 4 | A | 54.4 | Low | 62.1 | Low | 40 Ų | 40 | 115.7 Ų | 115.7 | 33% | 0.331 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -110.9 | 136.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 5 | P | 54 | Low | 63.6 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | trans | -69.4 | 138.8 | 178 | 28.6 | -33.8 | 0 | 0 | 0 | 110.9 | G7 S8 | P5-G7 PolarHBondContact O-N 3.42Å; P5-S8 PolarHBondContact O-N 3.21Å | ||
| 6 | E | 52.4 | Low | 64.5 | Low | 189 Ų | 189 | 112.4 Ų | 112.4 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | 135.5 | 171.9 | -63 | -178.3 | 153 | 0 | 0 | 109.6 | ||
| 7 | G | 54.1 | Low | 65.7 | Low | 82 Ų | 82 | 109.8 Ų | 109.8 | 85% | 0.845 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.3 | -3.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | P5 S9 | P5-G7 PolarHBondContact O-N 3.42Å; G7-S9 PolarHBondContact O-N 2.85Å |
| 8 | S | 55.4 | Low | 66.7 | Low | 50 Ų | 50 | 106.7 Ų | 106.7 | 35% | 0.35 | 63% | 0.631 | S | S | . | * | trans | -73.6 | 92.5 | 172 | -168.9 | 0 | 0 | 0 | 0 | 112.4 | P5 S10 G11 | P5-S8 PolarHBondContact O-N 3.21Å; S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 PolarHBondContact OG-OG 2.76Å; S8-G11 PolarHBondContact O-N 2.79Å | ||
| 9 | S | 59.2 | Low | 67.7 | Low | 133 Ų | 133 | 106.4 Ų | 106.4 | 93% | 0.93 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -6.6 | 175.8 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | G7 | G7-S9 PolarHBondContact O-N 2.85Š|
| 10 | S | 70.6 | Confident | 68.4 | Low | 84 Ų | 84 | 106.7 Ų | 106.7 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -12.1 | 179.1 | 71.6 | 0 | 0 | 0 | 0 | 115.2 | S8 K12 | S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 PolarHBondContact OG-OG 2.76Å; S10-K12 PolarHBondContact O-N 3.28Å; S10-K12 VanDerWaalsContact O-N 3.1Å |
| 11 | G | 73.8 | Confident | 69.1 | Low | 56 Ų | 56 | 109.9 Ų | 109.9 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | trans | 61.3 | 15.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S8 | S8-G11 PolarHBondContact O-N 2.79Š| ||
| 12 | K | 80.3 | Confident | 71 | Confident | 156 Ų | 156 | 101 Ų | 101 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | trans | -103.9 | 115.8 | -167 | -173 | 172 | -176.5 | 172.2 | 0 | 113.5 | S10 | S10-K12 PolarHBondContact O-N 3.28Å; S10-K12 VanDerWaalsContact O-N 3.1Å | ||
| 13 | L | 82.3 | Confident | 72.8 | Confident | 65 Ų | 65 | 96.2 Ų | 96.2 | 34% | 0.34 | 56% | 0.558 | S | S | . | * | trans | -73.3 | 141.5 | 165.1 | 177.7 | 60.9 | 0 | 0 | 0 | 110.9 | L3 I15 Y26 | L3-L13 HydrophobicContact CB-CD1 3.68Å; L3-L13 WeakPolarHBondContact O-CD1 3.43Å; L13-I15 HydrophobicContact CG-CG1 4.47Å; L13-Y26 HydrophobicContact CD2-CD1 3.5Å; L13-Y26 HydrophobicContact CD2-CE1 3.65Å; L13-Y26 HydrophobicContact CD2-CG 4.43Å | ||
| 14 | R | 81.9 | Confident | 74.2 | Confident | 213 Ų | 213 | 92.7 Ų | 92.7 | 80% | 0.804 | 55% | 0.546 | S | S | * | . | trans | -136.3 | 117.1 | 172.2 | -175.5 | 179.7 | -175.5 | 173.6 | 1.3 | 110.6 | ||||
| 15 | I | 84.7 | Confident | 75.9 | Confident | 53 Ų | 53 | 94.7 Ų | 94.7 | 27% | 0.272 | 55% | 0.554 | S | S | . | * | trans | -98.6 | 113.7 | 171.7 | -59.8 | 170.9 | 0 | 0 | 0 | 107 | L13 A18 D22 Y26 L43 | L13-I15 HydrophobicContact CG-CG1 4.47Å; I15-A18 HydrophobicContact CG2-CB 4.08Å; I15-D22 HydrophobicContact CD1-CB 4.41Å; I15-Y26 HydrophobicContact CD1-CE1 4.47Å; I15-L43 HydrophobicContact CD1-CD2 3.55Å | ||
| 16 | P | 78.7 | Confident | 77.5 | Confident | 125 Ų | 125 | 92.3 Ų | 92.3 | 81% | 0.812 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -69 | -34.6 | -171.7 | -23.9 | 35.4 | 0 | 0 | 0 | 114.7 | ||
| 17 | A | 84.4 | Confident | 79.1 | Confident | 69 Ų | 69 | 87 Ų | 87 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -146.2 | 95.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 18 | A | 83.8 | Confident | 80.6 | Confident | 54 Ų | 54 | 86.7 Ų | 86.7 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | trans | -69.2 | 132.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | I15 V45 | I15-A18 HydrophobicContact CG2-CB 4.08Å; A18-V45 HydrophobicContact CB-CG1 4.19Å; A18-V45 HydrophobicContact CB-CG2 4.1Å | ||
| 19 | Q | 85.8 | Confident | 82.1 | Confident | 101 Ų | 101 | 92 Ų | 92 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | trans | -118 | 166.1 | 176.8 | -60.9 | -175.8 | -1.8 | 0 | 0 | 109.8 | R21 D22 | Q19-R21 HydrophobicContact CB-CG 4.39Å; Q19-R21 PolarHBondContact O-N 2.79Å; Q19-R21 VanDerWaalsContact O-N 3.13Å; Q19-R21 VanDerWaalsContact OE1-CZ 3.24Å; Q19-D22 PolarHBondContact N-OD2 2.89Å; Q19-D22 WeakPolarHBondContact O-CA 3.23Å; Q19-D22 WeakPolarHBondContact O-CB 3.12Å; Q19-D22 PolarHBondContact O-N 3.44Å | ||
| 20 | E | 81.3 | Confident | 83.3 | Confident | 112 Ų | 112 | 88.7 Ų | 88.7 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -58.5 | -32.1 | -171.2 | -172.3 | 163.2 | -137.6 | 0 | 0 | 113.8 | D22 A23 R75 | E20-D22 PolarHBondContact O-N 3.39Å; E20-A23 WeakPolarHBondContact O-CB 3.41Å; E20-A23 PolarHBondContact O-N 2.78Å; E20-R75 VanDerWaalsContact CD-NH1 3.27Å; E20-R75 VanDerWaalsContact OE1-CD 3.29Å; E20-R75 WeakPolarHBondContact OE1-CD 3.39Å; E20-R75 IonicContact OE1-CZ 3.97Å; E20-R75 IonicContact OE1-NE 2.82Å; E20-R75 IonicContact OE1-NH1 2.9Å; E20-R75 PolarHBondContact OE1-NH1 2.82Å; E20-R75 IonicContact OE2-CZ 2.72Å; E20-R75 IonicContact OE2-NH1 3.23Å; E20-R75 PolarHBondContact OE2-NH1 2.9Å; E20-R75 VanDerWaalsContact OE2-NH1 3.08Å |
| 21 | R | 83.2 | Confident | 83.9 | Confident | 174 Ų | 174 | 89.9 Ų | 89.9 | 66% | 0.657 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -68.6 | -13 | 173.1 | 59.7 | 134.5 | -162.2 | -69.4 | -19.7 | 115.2 | Q19 A23 | Q19-R21 HydrophobicContact CB-CG 4.39Å; Q19-R21 PolarHBondContact O-N 2.79Å; Q19-R21 VanDerWaalsContact O-N 3.13Å; Q19-R21 VanDerWaalsContact OE1-CZ 3.24Å; R21-A23 VanDerWaalsContact C-N 3.29Å |
| 22 | D | 86.3 | Confident | 84.4 | Confident | 23 Ų | 23 | 92.4 Ų | 92.4 | 12% | 0.123 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -91 | 4.2 | 177.1 | -45.9 | -35.5 | 0 | 0 | 0 | 110.7 | I15 Q19 E20 Y26 L43 | I15-D22 HydrophobicContact CD1-CB 4.41Å; Q19-D22 PolarHBondContact N-OD2 2.89Å; Q19-D22 WeakPolarHBondContact O-CA 3.23Å; Q19-D22 WeakPolarHBondContact O-CB 3.12Å; Q19-D22 PolarHBondContact O-N 3.44Å; E20-D22 PolarHBondContact O-N 3.39Å; D22-Y26 WeakPolarHBondContact O-CE2 3.4Å; D22-Y26 PolarHBondContact O-OH 3.05Å; D22-Y26 VanDerWaalsContact O-OH 3.13Å; D22-L43 VanDerWaalsContact O-CD2 3.28Å; D22-L43 WeakPolarHBondContact O-CD2 3.4Å |
| 23 | A | 85.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 94.6 Ų | 94.6 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | trans | -78.8 | 132.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E20 R21 L43 V45 | E20-A23 WeakPolarHBondContact O-CB 3.41Å; E20-A23 PolarHBondContact O-N 2.78Å; R21-A23 VanDerWaalsContact C-N 3.29Å; A23-L43 CarbonylContact C-O 3.54Å; A23-L43 VanDerWaalsContact CA-O 3.28Å; A23-L43 WeakPolarHBondContact CA-O 3.34Å; A23-V45 HydrophobicContact CB-CB 4.11Å; A23-V45 HydrophobicContact CB-CG2 4.1Å | ||
| 24 | G | 86.2 | Confident | 85.1 | Confident | 22 Ų | 22 | 99.5 Ų | 99.5 | 23% | 0.227 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L43 | G24-L43 PolarHBondContact N-O 2.93Å; G24-L43 PolarHBondContact O-N 2.97Å |
| 25 | T | 89.5 | Confident | 85.3 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.5 | 172.9 | -40.8 | 0 | 0 | 0 | 0 | 109.1 | E40 Q42 | T25-E40 HydrophobicContact CG2-CB 4.09Å; T25-Q42 PolarHBondContact OG1-OE1 3.18Å |
| 26 | Y | 87.7 | Confident | 85.5 | Confident | 50 Ų | 50 | 92.6 Ų | 92.6 | 20% | 0.196 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.6 | 177.2 | -74.2 | -103 | 0 | 0 | 0 | 109.3 | L3 L13 I15 D22 E40 I41 L43 | L3-Y26 HydrophobicContact CD1-CE1 3.93Å; L13-Y26 HydrophobicContact CD2-CD1 3.5Å; L13-Y26 HydrophobicContact CD2-CE1 3.65Å; L13-Y26 HydrophobicContact CD2-CG 4.43Å; I15-Y26 HydrophobicContact CD1-CE1 4.47Å; D22-Y26 WeakPolarHBondContact O-CE2 3.4Å; D22-Y26 PolarHBondContact O-OH 3.05Å; D22-Y26 VanDerWaalsContact O-OH 3.13Å; Y26-E40 WeakPolarHBondContact O-CA 3.13Å; Y26-I41 PolarHBondContact N-O 2.9Å; Y26-I41 PolarHBondContact O-N 2.83Å; Y26-L43 HydrophobicContact CD2-CB 3.8Å; Y26-L43 HydrophobicContact CD2-CD2 4.49Å; Y26-L43 HydrophobicContact CE2-CB 3.74Å; Y26-L43 HydrophobicContact CE2-CD2 3.84Å; Y26-L43 HydrophobicContact CE2-CG 4.35Å |
| 27 | T | 86.8 | Confident | 86 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.7 | 174.3 | -42.1 | 0 | 0 | 0 | 0 | 109.4 | E40 | T27-E40 HydrophobicContact CG2-CG 4.01Å; T27-E40 PolarHBondContact OG1-OE1 3.19Å |
| 28 | C | 86.1 | Confident | 86.2 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 51% | 0.507 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.1 | 165 | -172.4 | 0 | 0 | 0 | 0 | 108.1 | S38 A39 | C28-S38 CarbonylContact O-C 3.6Å; C28-S38 WeakPolarHBondContact O-CA 3.4Å; C28-S38 WeakPolarHBondContact O-CB 3.19Å; C28-A39 PolarHBondContact N-O 3Å; C28-A39 PolarHBondContact O-N 2.7Å |
| 29 | R | 86.6 | Confident | 86.5 | Confident | 161 Ų | 161 | 90.8 Ų | 90.8 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.7 | 178.1 | -171.6 | 177.3 | -168.3 | -158.8 | 1.2 | 109.4 | V31 D36 A37 | R29-V31 HydrophobicContact CG-CG2 4.33Å; R29-D36 IonicContact CZ-OD1 3.78Å; R29-D36 IonicContact CZ-OD2 3.26Å; R29-D36 VanDerWaalsContact CZ-OD2 3.26Å; R29-D36 IonicContact NE-OD1 3.96Å; R29-D36 IonicContact NE-OD2 2.72Å; R29-D36 PolarHBondContact NE-OD2 3.07Å; R29-D36 IonicContact NH2-OD1 2.82Å; R29-D36 PolarHBondContact NH2-OD1 3Å; R29-D36 IonicContact NH2-OD2 2.97Å; R29-D36 PolarHBondContact NH2-OD2 2.67Å; R29-A37 WeakPolarHBondContact CA-O 3.11Å |
| 30 | A | 83.2 | Confident | 86.7 | Confident | 64 Ų | 64 | 92.6 Ų | 92.6 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | D36 A37 | A30-D36 CarbonylContact O-C 3.42Å; A30-D36 VanDerWaalsContact O-CA 3.3Å; A30-D36 WeakPolarHBondContact O-CA 3.34Å; A30-D36 WeakPolarHBondContact O-CB 3.28Å; A30-A37 PolarHBondContact N-O 2.8Å; A30-A37 PolarHBondContact O-N 3.11Å |
| 31 | V | 84.3 | Confident | 87 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 66% | 0.655 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.6 | -176.3 | -169.6 | 0 | 0 | 0 | 0 | 108.5 | R29 D36 | R29-V31 HydrophobicContact CG-CG2 4.33Å; V31-D36 HydrophobicContact CB-CB 4.28Å; V31-D36 HydrophobicContact CG1-CB 4.19Å; V31-D36 HydrophobicContact CG2-CB 3.87Å |
| 32 | N | 84.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 90.3 Ų | 90.3 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | -178.3 | 167.2 | 71.5 | 18.6 | 0 | 0 | 0 | 110.3 | L34 G35 | N32-L34 PolarHBondContact O-N 2.75Å; N32-L34 WeakPolarHBondContact OD1-CA 3.33Å; N32-L34 PolarHBondContact OD1-N 3.4Å; N32-G35 PolarHBondContact N-O 3.42Å; N32-G35 PolarHBondContact O-N 3.11Å; N32-G35 PolarHBondContact OD1-N 3.42Å; N32-G35 VanDerWaalsContact OD1-N 3.15Å; N32-G35 PolarHBondContact OD1-O 3.27Å |
| 33 | E | 87.8 | Confident | 87.3 | Confident | 202 Ų | 202 | 91.9 Ų | 91.9 | 94% | 0.944 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -10.7 | -177.5 | -60.7 | 179 | 176.6 | 0 | 0 | 114.5 | ||
| 34 | L | 87.8 | Confident | 87.3 | Confident | 167 Ų | 167 | 92.3 Ų | 92.3 | 87% | 0.874 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -7.2 | -178.3 | -58.9 | 175.7 | 0 | 0 | 0 | 113.5 | N32 | N32-L34 PolarHBondContact O-N 2.75Å; N32-L34 WeakPolarHBondContact OD1-CA 3.33Å; N32-L34 PolarHBondContact OD1-N 3.4Å |
| 35 | G | 87.1 | Confident | 87.4 | Confident | 39 Ų | 39 | 92.6 Ų | 92.6 | 40% | 0.402 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.8 | -167.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N32 | N32-G35 PolarHBondContact N-O 3.42Å; N32-G35 PolarHBondContact O-N 3.11Å; N32-G35 PolarHBondContact OD1-N 3.42Å; N32-G35 VanDerWaalsContact OD1-N 3.15Å; N32-G35 PolarHBondContact OD1-O 3.27Å |
| 36 | D | 88.3 | Confident | 87.4 | Confident | 83 Ų | 83 | 90.2 Ų | 90.2 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 156.5 | 176.8 | 81.9 | -93 | 0 | 0 | 0 | 113.9 | R29 A30 V31 | R29-D36 IonicContact CZ-OD1 3.78Å; R29-D36 IonicContact CZ-OD2 3.26Å; R29-D36 VanDerWaalsContact CZ-OD2 3.26Å; R29-D36 IonicContact NE-OD1 3.96Å; R29-D36 IonicContact NE-OD2 2.72Å; R29-D36 PolarHBondContact NE-OD2 3.07Å; R29-D36 IonicContact NH2-OD1 2.82Å; R29-D36 PolarHBondContact NH2-OD1 3Å; R29-D36 IonicContact NH2-OD2 2.97Å; R29-D36 PolarHBondContact NH2-OD2 2.67Å; A30-D36 CarbonylContact O-C 3.42Å; A30-D36 VanDerWaalsContact O-CA 3.3Å; A30-D36 WeakPolarHBondContact O-CA 3.34Å; A30-D36 WeakPolarHBondContact O-CB 3.28Å; V31-D36 HydrophobicContact CB-CB 4.28Å; V31-D36 HydrophobicContact CG1-CB 4.19Å; V31-D36 HydrophobicContact CG2-CB 3.87Å |
| 37 | A | 89.3 | Confident | 87.5 | Confident | 67 Ų | 67 | 91.9 Ų | 91.9 | 55% | 0.554 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R29 A30 | R29-A37 WeakPolarHBondContact CA-O 3.11Å; A30-A37 PolarHBondContact N-O 2.8Å; A30-A37 PolarHBondContact O-N 3.11Å |
| 38 | S | 89.1 | Confident | 87.9 | Confident | 78 Ų | 78 | 90.2 Ų | 90.2 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.7 | 175.8 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | C28 | C28-S38 CarbonylContact O-C 3.6Å; C28-S38 WeakPolarHBondContact O-CA 3.4Å; C28-S38 WeakPolarHBondContact O-CB 3.19Å |
| 39 | A | 89.2 | Confident | 88.3 | Confident | 65 Ų | 65 | 87 Ų | 87 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 141.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | C28 | C28-A39 PolarHBondContact N-O 3Å; C28-A39 PolarHBondContact O-N 2.7Å |
| 40 | E | 90.9 | Very high | 88.7 | Confident | 138 Ų | 138 | 85.5 Ų | 85.5 | 65% | 0.645 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.3 | -178.8 | -58.7 | -160.5 | 139 | 0 | 0 | 111.7 | T25 Y26 T27 | T25-E40 HydrophobicContact CG2-CB 4.09Å; Y26-E40 WeakPolarHBondContact O-CA 3.13Å; T27-E40 HydrophobicContact CG2-CG 4.01Å; T27-E40 PolarHBondContact OG1-OE1 3.19Å |
| 41 | I | 88.5 | Confident | 89.2 | Confident | 115 Ų | 115 | 84.1 Ų | 84.1 | 59% | 0.59 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.3 | 172.9 | -172.9 | 170.5 | 0 | 0 | 0 | 110 | Y26 L43 | Y26-I41 PolarHBondContact N-O 2.9Å; Y26-I41 PolarHBondContact O-N 2.83Å; I41-L43 PolarHBondContact O-N 3.47Å |
| 42 | Q | 87.8 | Confident | 89.6 | Confident | 124 Ų | 124 | 83.3 Ų | 83.3 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 110.7 | 172.9 | -167.4 | 68.7 | 23.5 | 0 | 0 | 109.5 | T25 | T25-Q42 PolarHBondContact OG1-OE1 3.18Å |
| 43 | L | 86.3 | Confident | 89.9 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 29% | 0.293 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 114.8 | 167.5 | -179.9 | 51.9 | 0 | 0 | 0 | 108.7 | I15 D22 A23 G24 Y26 I41 V45 | I15-L43 HydrophobicContact CD1-CD2 3.55Å; D22-L43 VanDerWaalsContact O-CD2 3.28Å; D22-L43 WeakPolarHBondContact O-CD2 3.4Å; A23-L43 CarbonylContact C-O 3.54Å; A23-L43 VanDerWaalsContact CA-O 3.28Å; A23-L43 WeakPolarHBondContact CA-O 3.34Å; G24-L43 PolarHBondContact N-O 2.93Å; G24-L43 PolarHBondContact O-N 2.97Å; Y26-L43 HydrophobicContact CD2-CB 3.8Å; Y26-L43 HydrophobicContact CD2-CD2 4.49Å; Y26-L43 HydrophobicContact CE2-CB 3.74Å; Y26-L43 HydrophobicContact CE2-CD2 3.84Å; Y26-L43 HydrophobicContact CE2-CG 4.35Å; I41-L43 PolarHBondContact O-N 3.47Å; L43-V45 HydrophobicContact CD1-CG2 4.36Å; L43-V45 HydrophobicContact CD2-CG2 4.43Å; L43-V45 HydrophobicContact CG-CG2 4.04Å |
| 44 | A | 85.3 | Confident | 90.2 | Very high | 54 Ų | 54 | 76.9 Ų | 76.9 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | trans | -95.3 | 131.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | F131 | A44-F131 HydrophobicContact CB-CZ 3.92Å; A44-F131 WeakPolarHBondContact O-CZ 3.4Å | ||
| 45 | V | 88.6 | Confident | 90.5 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | trans | -117.5 | 142 | 170.4 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | A18 A23 L43 | A18-V45 HydrophobicContact CB-CG1 4.19Å; A18-V45 HydrophobicContact CB-CG2 4.1Å; A23-V45 HydrophobicContact CB-CB 4.11Å; A23-V45 HydrophobicContact CB-CG2 4.1Å; L43-V45 HydrophobicContact CD1-CG2 4.36Å; L43-V45 HydrophobicContact CD2-CG2 4.43Å; L43-V45 HydrophobicContact CG-CG2 4.04Å | ||
| 46 | G | 90 | Very high | 90.8 | Very high | 31 Ų | 31 | 77.6 Ų | 77.6 | 32% | 0.32 | 43% | 0.43 | S | S | . | . | trans | 172.4 | -158.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R75 F131 | G46-R75 WeakPolarHBondContact CA-O 3.42Å; G46-F131 VanDerWaalsContact CA-CE2 3.48Å | ||
| 47 | H | 90.8 | Very high | 91.2 | Very high | 85 Ų | 85 | 78 Ų | 78 | 39% | 0.394 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 150.5 | -179.6 | 55.1 | -97.8 | 0 | 0 | 0 | 112.4 | G74 R75 N129 | H47-G74 WeakPolarHBondContact NE2-CA 3.31Å; H47-R75 PolarHBondContact N-O 2.84Å; H47-R75 PolarHBondContact O-N 2.93Å; H47-N129 PolarHBondContact O-ND2 2.95Å |
| 48 | A | 93.4 | Very high | 91.3 | Very high | 43 Ų | 43 | 76.7 Ų | 76.7 | 36% | 0.355 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 156.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F131 | A48-F131 HydrophobicContact CB-CB 4.36Å |
| 49 | P | 95.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 77.4 Ų | 77.4 | 5% | 0.052 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.9 | -173.6 | -17.3 | 33.1 | 0 | 0 | 0 | 112.6 | T73 P78 A127 N129 G132 V134 | P49-T73 CarbonylContact C-O 3.58Å; P49-T73 VanDerWaalsContact CA-O 3.24Å; P49-T73 WeakPolarHBondContact CA-O 2.99Å; P49-P78 HydrophobicContact CB-CB 3.75Å; P49-P78 HydrophobicContact CB-CG 4.14Å; P49-P78 HydrophobicContact CG-CB 3.79Å; P49-A127 HydrophobicContact CB-CB 4.32Å; P49-N129 WeakPolarHBondContact CD-OD1 3.35Å; P49-N129 HydrophobicContact CG-CB 4.22Å; P49-G132 VanDerWaalsContact CD-C 3.48Å; P49-G132 WeakPolarHBondContact CD-O 3.26Å; P49-V134 HydrophobicContact CB-CG1 4Å; P49-V134 WeakPolarHBondContact O-CG1 3.32Å |
| 50 | Q | 94.4 | Very high | 91.5 | Very high | 130 Ų | 130 | 75.1 Ų | 75.1 | 61% | 0.607 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.1 | 173.8 | -64.8 | -175.5 | -11.6 | 0 | 0 | 109.6 | A72 T73 | Q50-A72 CarbonylContact O-C 3.41Å; Q50-A72 WeakPolarHBondContact O-CA 3.49Å; Q50-T73 PolarHBondContact N-O 2.89Å; Q50-T73 PolarHBondContact O-N 3.03Å |
| 51 | L | 93.3 | Very high | 91.3 | Very high | 34 Ų | 34 | 73.4 Ų | 73.4 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 126.4 | 177.1 | -61.5 | -177.8 | 0 | 0 | 0 | 110.4 | L54 R71 A72 A127 V134 A136 | L51-L54 HydrophobicContact CB-CD1 3.95Å; L51-L54 HydrophobicContact CB-CG 4.32Å; L51-L54 HydrophobicContact CD1-CG 4.25Å; L51-R71 CarbonylContact C-O 3.36Å; L51-R71 WeakPolarHBondContact CA-O 3.17Å; L51-A72 HydrophobicContact CD2-CB 3.97Å; L51-A127 HydrophobicContact CD2-CB 4.1Å; L51-V134 HydrophobicContact CD1-CG2 4.35Å; L51-V134 HydrophobicContact CD2-CG1 3.67Å; L51-V134 HydrophobicContact CG-CG1 3.72Å; L51-V134 HydrophobicContact CG-CG2 4.06Å; L51-A136 HydrophobicContact CD1-CB 3.45Å; L51-A136 VanDerWaalsContact CD1-CB 3.45Å |
| 52 | T | 92.9 | Very high | 91.2 | Very high | 91 Ų | 91 | 69.9 Ų | 69.9 | 56% | 0.558 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -24.4 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | R71 T73 | T52-R71 PolarHBondContact N-O 3.4Å; T52-R71 PolarHBondContact OG1-O 3.34Å; T52-T73 HydrophobicContact CG2-CG2 3.75Å |
| 53 | E | 92.8 | Very high | 90.9 | Very high | 73 Ų | 73 | 66.2 Ų | 66.2 | 34% | 0.341 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 114.6 | 166.3 | -175.8 | 173.7 | -162.4 | 0 | 0 | 107.1 | C70 R71 | E53-C70 WeakPolarHBondContact O-CA 3.36Å; E53-R71 HydrophobicContact CB-CB 3.78Å; E53-R71 HydrophobicContact CB-CG 3.95Å; E53-R71 PolarHBondContact N-O 2.9Å; E53-R71 PolarHBondContact O-N 2.95Å; E53-R71 VanDerWaalsContact OE2-CD 3.3Å; E53-R71 WeakPolarHBondContact OE2-CD 3.46Å; E53-R71 WeakPolarHBondContact OE2-CG 3.23Å; E53-R71 IonicContact OE2-CZ 3.78Å; E53-R71 IonicContact OE2-NE 3.17Å; E53-R71 PolarHBondContact OE2-NE 3.03Å; E53-R71 IonicContact OE2-NH2 3.91Å |
| 54 | L | 93.6 | Very high | 91 | Very high | 105 Ų | 105 | 70.7 Ų | 70.7 | 55% | 0.55 | 38% | 0.381 | S | S | . | . | trans | -87.4 | 141.4 | 174 | -78.9 | 77.6 | 0 | 0 | 0 | 109.6 | L51 | L51-L54 HydrophobicContact CB-CD1 3.95Å; L51-L54 HydrophobicContact CB-CG 4.32Å; L51-L54 HydrophobicContact CD1-CG 4.25Å | ||
| 55 | P | 93.5 | Very high | 91.1 | Very high | 13 Ų | 13 | 71.6 Ų | 71.6 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | trans | -67.2 | 156.5 | 173.6 | 34 | -38.2 | 0 | 0 | 0 | 110.9 | A69 W82 A136 A138 | P55-A69 WeakPolarHBondContact CA-O 3.37Å; P55-A69 WeakPolarHBondContact CB-O 3.41Å; P55-W82 HydrophobicContact CB-CH2 3.74Å; P55-W82 HydrophobicContact CG-CH2 4.24Å; P55-A136 HydrophobicContact CG-CB 3.96Å; P55-A138 HydrophobicContact CB-CB 3.69Å; P55-A138 HydrophobicContact CG-CB 4.06Å | ||
| 56 | R | 94.2 | Very high | 91 | Very high | 207 Ų | 207 | 70.7 Ų | 70.7 | 78% | 0.781 | 38% | 0.379 | S | S | * | . | trans | -131.4 | 150.6 | -177.3 | -57.9 | -177.2 | -175.1 | -172 | 0.6 | 109.8 | V58 L68 A138 | R56-V58 PolarHBondContact O-N 3.12Å; R56-L68 WeakPolarHBondContact O-CD2 3.45Å; R56-A138 WeakPolarHBondContact O-CB 3.1Å | ||
| 57 | D | 95.1 | Very high | 91 | Very high | 91 Ų | 91 | 73.7 Ų | 73.7 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | trans | -60 | 130.5 | 174.7 | -74 | 15.1 | 0 | 0 | 0 | 110.3 | A138 R139 | D57-A138 WeakPolarHBondContact OD1-CA 3.32Å; D57-R139 VanDerWaalsContact CA-O 3.29Å; D57-R139 WeakPolarHBondContact CA-O 3.49Å; D57-R139 PolarHBondContact OD1-N 3.11Å | ||
| 58 | V | 93 | Very high | 91 | Very high | 41 Ų | 41 | 69.8 Ų | 69.8 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.7 | -178.6 | 169.4 | 0 | 0 | 0 | 0 | 108.9 | R56 V60 A66 L68 R139 L140 I141 | R56-V58 PolarHBondContact O-N 3.12Å; V58-V60 HydrophobicContact CG1-CB 4.35Å; V58-A66 HydrophobicContact CG1-CB 4.38Å; V58-L68 HydrophobicContact CB-CD2 4.05Å; V58-L68 HydrophobicContact CG2-CD2 3.67Å; V58-R139 PolarHBondContact N-O 2.58Å; V58-L140 HydrophobicContact CB-CD1 4.03Å; V58-L140 HydrophobicContact CG1-CD1 3.96Å; V58-I141 PolarHBondContact O-N 3.33Å |
| 59 | T | 91.7 | Very high | 90.8 | Very high | 92 Ų | 92 | 68.5 Ų | 68.5 | 56% | 0.564 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.5 | 171.2 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | I141 T143 | T59-I141 WeakPolarHBondContact CA-O 3.18Å; T59-I141 HydrophobicContact CG2-CB 4.42Å; T59-I141 HydrophobicContact CG2-CG2 4.21Å; T59-T143 HydrophobicContact CG2-CG2 3.47Å; T59-T143 VanDerWaalsContact CG2-CG2 3.47Å |
| 60 | V | 90 | Very high | 90.6 | Very high | 17 Ų | 17 | 68.1 Ų | 68.1 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 141 | -170.2 | 60.7 | 0 | 0 | 0 | 0 | 112.1 | V58 R64 A66 V115 L140 I141 V142 T143 | V58-V60 HydrophobicContact CG1-CB 4.35Å; V60-R64 HydrophobicContact CG2-CB 3.73Å; V60-A66 HydrophobicContact CB-CB 4.44Å; V60-A66 HydrophobicContact CG1-CB 4.12Å; V60-A66 HydrophobicContact CG2-CB 4.26Å; V60-V115 HydrophobicContact CG1-CB 4.36Å; V60-V115 HydrophobicContact CG1-CG1 4.01Å; V60-V115 HydrophobicContact CG1-CG2 4.05Å; V60-V115 HydrophobicContact CG2-CG2 4.48Å; V60-L140 HydrophobicContact CG1-CD1 3.77Å; V60-L140 HydrophobicContact CG1-CG 4.28Å; V60-I141 PolarHBondContact N-O 2.91Å; V60-V142 WeakPolarHBondContact O-CA 3.29Å; V60-T143 PolarHBondContact O-N 2.86Å; V60-T143 PolarHBondContact O-OG1 3.3Å; V60-T143 VanDerWaalsContact O-OG1 3.13Å |
| 61 | E | 87 | Confident | 90.4 | Very high | 103 Ų | 103 | 69.1 Ų | 69.1 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.4 | 175.7 | -55.2 | -179.7 | 134.4 | 0 | 0 | 111.9 | G63 R64 T143 | E61-G63 PolarHBondContact O-N 2.77Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CB 3.37Å; E61-R64 WeakPolarHBondContact O-CG 3.23Å; E61-R64 PolarHBondContact O-N 2.96Å; E61-R64 IonicContact OE2-CZ 3.71Å; E61-R64 IonicContact OE2-NE 3.7Å; E61-R64 PolarHBondContact OE2-NE 2.95Å; E61-R64 VanDerWaalsContact OE2-NE 3.11Å; E61-R64 IonicContact OE2-NH2 3.45Å; E61-R64 PolarHBondContact OE2-NH2 2.91Å; E61-R64 VanDerWaalsContact OE2-NH2 3.17Å; E61-T143 WeakPolarHBondContact CA-O 3.15Å |
| 62 | L | 85.5 | Confident | 90.4 | Very high | 41 Ų | 41 | 68.4 Ų | 68.4 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 135.3 | 169.7 | -73.3 | 158 | 0 | 0 | 0 | 112.6 | R64 P117 V142 T143 A146 | L62-R64 PolarHBondContact O-N 2.94Å; L62-P117 HydrophobicContact CD2-CG 3.8Å; L62-V142 HydrophobicContact CD2-CG1 3.51Å; L62-V142 HydrophobicContact CG-CG1 3.77Å; L62-T143 WeakPolarHBondContact CG-O 3.43Å; L62-T143 PolarHBondContact N-O 2.81Å; L62-A146 HydrophobicContact CD1-CB 3.97Å |
| 63 | G | 82.9 | Confident | 90.4 | Very high | 47 Ų | 47 | 67.3 Ų | 67.3 | 49% | 0.485 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -6.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | E61 V115 | E61-G63 PolarHBondContact O-N 2.77Å; G63-V115 PolarHBondContact N-O 3.29Å |
| 64 | R | 87.4 | Confident | 90.2 | Very high | 150 Ų | 150 | 64.4 Ų | 64.4 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -81.4 | 161.6 | 169.7 | -57.2 | -65.1 | -167.8 | 164.8 | 3.6 | 110.9 | V60 E61 L62 S114 V115 | V60-R64 HydrophobicContact CG2-CB 3.73Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CB 3.37Å; E61-R64 WeakPolarHBondContact O-CG 3.23Å; E61-R64 PolarHBondContact O-N 2.96Å; E61-R64 IonicContact OE2-CZ 3.71Å; E61-R64 IonicContact OE2-NE 3.7Å; E61-R64 PolarHBondContact OE2-NE 2.95Å; E61-R64 VanDerWaalsContact OE2-NE 3.11Å; E61-R64 IonicContact OE2-NH2 3.45Å; E61-R64 PolarHBondContact OE2-NH2 2.91Å; E61-R64 VanDerWaalsContact OE2-NH2 3.17Å; L62-R64 PolarHBondContact O-N 2.94Å; R64-S114 WeakPolarHBondContact O-CA 3.41Å; R64-V115 WeakPolarHBondContact O-CB 3.4Å; R64-V115 WeakPolarHBondContact O-CG2 3.22Å; R64-V115 PolarHBondContact O-N 2.76Å |
| 65 | S | 86.8 | Confident | 90 | Very high | 73 Ų | 73 | 65.4 Ų | 65.4 | 51% | 0.51 | 33% | 0.333 | S | S | . | . | trans | -80.3 | 152.6 | 167.9 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | F112 E113 | S65-F112 CarbonylContact C-O 3.53Å; S65-F112 WeakPolarHBondContact CA-O 3.48Å; S65-F112 VanDerWaalsContact CB-O 3.28Å; S65-F112 WeakPolarHBondContact CB-O 3.37Å; S65-E113 WeakPolarHBondContact CA-O 3.41Å; S65-E113 WeakPolarHBondContact CB-O 3.41Å | ||
| 66 | A | 87.8 | Confident | 89.8 | Confident | 9 Ų | 9 | 68 Ų | 68 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 159.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V58 V60 F111 F112 V115 L140 | V58-A66 HydrophobicContact CG1-CB 4.38Å; V60-A66 HydrophobicContact CB-CB 4.44Å; V60-A66 HydrophobicContact CG1-CB 4.12Å; V60-A66 HydrophobicContact CG2-CB 4.26Å; A66-F111 WeakPolarHBondContact O-CD2 3.31Å; A66-F112 HydrophobicContact CB-CB 4.19Å; A66-F112 HydrophobicContact CB-CD2 4.17Å; A66-F112 HydrophobicContact CB-CG 4.43Å; A66-F112 PolarHBondContact N-O 2.92Å; A66-F112 PolarHBondContact O-N 3.49Å; A66-V115 HydrophobicContact CB-CG2 3.66Å; A66-L140 HydrophobicContact CB-CD1 3.93Å |
| 67 | L | 89.4 | Confident | 89.7 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141.6 | 174.2 | 71.4 | 94.5 | 0 | 0 | 0 | 111.8 | A69 V109 L110 F111 | L67-A69 HydrophobicContact CD1-CB 4.36Å; L67-V109 HydrophobicContact CB-CG1 3.87Å; L67-V109 HydrophobicContact CD1-CG1 4.08Å; L67-L110 VanDerWaalsContact CA-O 3.3Å; L67-L110 WeakPolarHBondContact CA-O 3.13Å; L67-F111 HydrophobicContact CB-CD2 4.2Å |
| 68 | L | 90.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.7 | 169.6 | -60 | 175.5 | 0 | 0 | 0 | 108.2 | R56 V58 W82 V109 L110 F112 Y123 A138 | R56-L68 WeakPolarHBondContact O-CD2 3.45Å; V58-L68 HydrophobicContact CB-CD2 4.05Å; V58-L68 HydrophobicContact CG2-CD2 3.67Å; L68-W82 HydrophobicContact CB-CH2 3.56Å; L68-W82 HydrophobicContact CB-CZ2 4.01Å; L68-W82 HydrophobicContact CB-CZ3 4.18Å; L68-W82 HydrophobicContact CD1-CH2 4.44Å; L68-W82 HydrophobicContact CD1-CZ3 4.27Å; L68-W82 VanDerWaalsContact O-CZ2 3.31Å; L68-W82 WeakPolarHBondContact O-CZ2 3.4Å; L68-V109 CarbonylContact O-C 3.54Å; L68-V109 VanDerWaalsContact O-CA 3.29Å; L68-V109 WeakPolarHBondContact O-CA 3.35Å; L68-L110 HydrophobicContact CB-CB 4.49Å; L68-L110 PolarHBondContact N-O 3.15Å; L68-L110 PolarHBondContact O-N 2.9Å; L68-F112 HydrophobicContact CD1-CE2 4.35Å; L68-F112 HydrophobicContact CG-CE2 4.4Å; L68-Y123 HydrophobicContact CD1-CD2 3.97Å; L68-Y123 HydrophobicContact CD1-CG 3.88Å; L68-A138 HydrophobicContact CD2-CB 4.48Å |
| 69 | A | 90.3 | Very high | 89.3 | Confident | 16 Ų | 16 | 62.4 Ų | 62.4 | 13% | 0.132 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 140.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P55 L67 V109 | P55-A69 WeakPolarHBondContact CA-O 3.37Å; P55-A69 WeakPolarHBondContact CB-O 3.41Å; L67-A69 HydrophobicContact CD1-CB 4.36Å; A69-V109 HydrophobicContact CB-CG2 4.17Å |
| 70 | C | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -149.7 | 122.2 | 178.6 | -178 | 0 | 0 | 0 | 0 | 109.2 | E53 W82 G108 C125 | E53-C70 WeakPolarHBondContact O-CA 3.36Å; C70-W82 HydrophobicContact CB-CH2 4.15Å; C70-W82 HydrophobicContact CB-CZ2 3.58Å; C70-G108 CarbonylContact C-O 3.3Å; C70-G108 PolarHBondContact N-O 3.26Å; C70-G108 CarbonylContact O-C 3.56Å; C70-G108 VanDerWaalsContact O-CA 3.24Å; C70-G108 WeakPolarHBondContact O-CA 3.13Å; C70-C125 HydrophobicContact CB-CB 3.64Å; C70-C125 WeakPolarHBondContact CB-SG 3.47Å; C70-C125 WeakPolarHBondContact SG-CB 3.48Å; C70-C125 CovalentContact SG-SG 2.03Å; C70-C125 PolarHBondContact SG-SG 2.84Å | ||
| 71 | R | 91.3 | Very high | 89.2 | Confident | 151 Ų | 151 | 61.6 Ų | 61.6 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.9 | 177 | -61.8 | -176.6 | -158 | -119.8 | -0.3 | 111 | L51 T52 E53 | L51-R71 CarbonylContact C-O 3.36Å; L51-R71 WeakPolarHBondContact CA-O 3.17Å; T52-R71 PolarHBondContact N-O 3.4Å; T52-R71 PolarHBondContact OG1-O 3.34Å; E53-R71 HydrophobicContact CB-CB 3.78Å; E53-R71 HydrophobicContact CB-CG 3.95Å; E53-R71 PolarHBondContact N-O 2.9Å; E53-R71 PolarHBondContact O-N 2.95Å; E53-R71 VanDerWaalsContact OE2-CD 3.3Å; E53-R71 WeakPolarHBondContact OE2-CD 3.46Å; E53-R71 WeakPolarHBondContact OE2-CG 3.23Å; E53-R71 IonicContact OE2-CZ 3.78Å; E53-R71 IonicContact OE2-NE 3.17Å; E53-R71 PolarHBondContact OE2-NE 3.03Å; E53-R71 IonicContact OE2-NH2 3.91Å |
| 72 | A | 92.1 | Very high | 89.4 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 144.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q50 L51 P78 V80 A127 | Q50-A72 CarbonylContact O-C 3.41Å; Q50-A72 WeakPolarHBondContact O-CA 3.49Å; L51-A72 HydrophobicContact CD2-CB 3.97Å; A72-P78 HydrophobicContact CB-CB 4.47Å; A72-P78 HydrophobicContact CB-CG 3.66Å; A72-V80 HydrophobicContact CB-CG2 4.32Å; A72-A127 HydrophobicContact CB-CB 3.35Å |
| 73 | T | 92.4 | Very high | 89.6 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 156.6 | 167 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | P49 Q50 T52 | P49-T73 CarbonylContact C-O 3.58Å; P49-T73 VanDerWaalsContact CA-O 3.24Å; P49-T73 WeakPolarHBondContact CA-O 2.99Å; Q50-T73 PolarHBondContact N-O 2.89Å; Q50-T73 PolarHBondContact O-N 3.03Å; T52-T73 HydrophobicContact CG2-CG2 3.75Å |
| 74 | G | 90.4 | Very high | 89.9 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 12% | 0.124 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 162.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | H47 P76 | H47-G74 WeakPolarHBondContact NE2-CA 3.31Å; G74-P76 CarbonylContact C-O 3.53Å; G74-P76 CarbonylContact O-C 3.57Å |
| 75 | R | 88.8 | Confident | 90 | Very high | 127 Ų | 127 | 54.8 Ų | 54.8 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 118.5 | 171.7 | -73.1 | -170.9 | 179.4 | -132.2 | -2.7 | 110.9 | E20 G46 H47 F131 | E20-R75 VanDerWaalsContact CD-NH1 3.27Å; E20-R75 VanDerWaalsContact OE1-CD 3.29Å; E20-R75 WeakPolarHBondContact OE1-CD 3.39Å; E20-R75 IonicContact OE1-CZ 3.97Å; E20-R75 IonicContact OE1-NE 2.82Å; E20-R75 IonicContact OE1-NH1 2.9Å; E20-R75 PolarHBondContact OE1-NH1 2.82Å; E20-R75 IonicContact OE2-CZ 2.72Å; E20-R75 IonicContact OE2-NH1 3.23Å; E20-R75 PolarHBondContact OE2-NH1 2.9Å; E20-R75 VanDerWaalsContact OE2-NH1 3.08Å; G46-R75 WeakPolarHBondContact CA-O 3.42Å; H47-R75 PolarHBondContact N-O 2.84Å; H47-R75 PolarHBondContact O-N 2.93Å; R75-F131 WeakPolarHBondContact O-CD2 3.41Å; R75-F131 VanDerWaalsContact O-CE2 3.29Å; R75-F131 WeakPolarHBondContact O-CE2 3.35Å |
| 76 | P | 89.6 | Confident | 90 | Very high | 67 Ų | 67 | 54.7 Ų | 54.7 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | S | Bend | cis | -52.2 | 160 | -13.1 | -27.3 | 34.5 | 0 | 0 | 0 | 114 | G74 N129 V130 | G74-P76 CarbonylContact C-O 3.53Å; G74-P76 CarbonylContact O-C 3.57Å; P76-N129 WeakPolarHBondContact O-CB 3.47Å; P76-N129 PolarHBondContact O-ND2 3.4Å; P76-V130 HydrophobicContact CG-CG2 4.43Å |
| 77 | P | 90.5 | Very high | 89.8 | Confident | 111 Ų | 111 | 57.3 Ų | 57.3 | 72% | 0.721 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 134.5 | 176.3 | -28.1 | 36.1 | 0 | 0 | 0 | 112 | ||
| 78 | P | 90.7 | Very high | 89.4 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 139.1 | -176.8 | 31.9 | -34.5 | 0 | 0 | 0 | 112 | P49 A72 V80 A127 R128 N129 | P49-P78 HydrophobicContact CB-CB 3.75Å; P49-P78 HydrophobicContact CB-CG 4.14Å; P49-P78 HydrophobicContact CG-CB 3.79Å; A72-P78 HydrophobicContact CB-CB 4.47Å; A72-P78 HydrophobicContact CB-CG 3.66Å; P78-V80 PolarHBondContact O-N 2.81Å; P78-A127 HydrophobicContact CB-CB 4.34Å; P78-R128 CarbonylContact C-O 3.6Å; P78-R128 VanDerWaalsContact CA-O 3.31Å; P78-R128 WeakPolarHBondContact CA-O 3.3Å; P78-N129 HydrophobicContact CB-CB 4.45Å |
| 79 | T | 90.5 | Very high | 88.9 | Confident | 98 Ų | 98 | 63.4 Ų | 63.4 | 60% | 0.601 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 123 | 165 | -49.6 | 0 | 0 | 0 | 0 | 108.5 | T81 A127 R128 | T79-T81 HydrophobicContact CG2-CG2 4.18Å; T79-A127 WeakPolarHBondContact O-CA 3.37Å; T79-R128 PolarHBondContact N-O 2.86Å; T79-R128 PolarHBondContact O-N 2.81Å |
| 80 | V | 89.7 | Confident | 88.4 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 16% | 0.158 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.9 | 170.9 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | A72 P78 A127 | A72-V80 HydrophobicContact CB-CG2 4.32Å; P78-V80 PolarHBondContact O-N 2.81Å; V80-A127 HydrophobicContact CG2-CB 4.17Å |
| 81 | T | 90.1 | Very high | 87 | Confident | 65 Ų | 65 | 67.5 Ų | 67.5 | 40% | 0.399 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 154.9 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 110.5 | T79 C125 E126 | T79-T81 HydrophobicContact CG2-CG2 4.18Å; T81-C125 CarbonylContact O-C 3.21Å; T81-C125 WeakPolarHBondContact O-CA 3.29Å; T81-E126 PolarHBondContact N-O 2.66Å; T81-E126 PolarHBondContact O-N 2.78Å; T81-E126 PolarHBondContact OG1-O 2.89Å |
| 82 | W | 90.2 | Very high | 85.2 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 13% | 0.125 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.7 | 177.9 | -75.3 | 96.2 | 0 | 0 | 0 | 110.8 | P55 L68 C70 L90 L110 V124 C125 | P55-W82 HydrophobicContact CB-CH2 3.74Å; P55-W82 HydrophobicContact CG-CH2 4.24Å; L68-W82 HydrophobicContact CB-CH2 3.56Å; L68-W82 HydrophobicContact CB-CZ2 4.01Å; L68-W82 HydrophobicContact CB-CZ3 4.18Å; L68-W82 HydrophobicContact CD1-CH2 4.44Å; L68-W82 HydrophobicContact CD1-CZ3 4.27Å; L68-W82 VanDerWaalsContact O-CZ2 3.31Å; L68-W82 WeakPolarHBondContact O-CZ2 3.4Å; C70-W82 HydrophobicContact CB-CH2 4.15Å; C70-W82 HydrophobicContact CB-CZ2 3.58Å; W82-L90 HydrophobicContact CB-CD1 4.02Å; W82-L90 VanDerWaalsContact O-CD1 3.23Å; W82-L90 WeakPolarHBondContact O-CD1 3.45Å; W82-L110 HydrophobicContact CB-CD1 4.48Å; W82-L110 HydrophobicContact CB-CD2 4.39Å; W82-L110 HydrophobicContact CD2-CB 3.83Å; W82-L110 HydrophobicContact CD2-CD2 4.3Å; W82-L110 HydrophobicContact CE3-CB 4.41Å; W82-L110 HydrophobicContact CE3-CD2 4.25Å; W82-L110 HydrophobicContact CG-CB 3.91Å; W82-L110 HydrophobicContact CG-CD2 4.39Å; W82-L110 HydrophobicContact CZ2-CB 4.35Å; W82-V124 WeakPolarHBondContact CA-O 3.41Å; W82-C125 HydrophobicContact CD2-CB 4.3Å; W82-C125 HydrophobicContact CE3-CB 4.12Å; W82-C125 HydrophobicContact CH2-CB 4.02Å; W82-C125 HydrophobicContact CZ2-CB 4.16Å; W82-C125 HydrophobicContact CZ3-CB 3.98Å |
| 83 | R | 89.3 | Confident | 83.3 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 36% | 0.358 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 162.5 | 166.6 | 61 | 177.6 | 178.1 | -101.4 | -1.7 | 110.2 | Y123 V124 E126 | R83-Y123 WeakPolarHBondContact O-CA 3.42Å; R83-V124 HydrophobicContact CG-CB 4.03Å; R83-V124 PolarHBondContact N-O 3.37Å; R83-V124 PolarHBondContact O-N 2.89Å; R83-E126 IonicContact CZ-OE2 3.11Å; R83-E126 IonicContact NH1-OE2 3.91Å; R83-E126 PolarHBondContact NH1-OE2 2.93Å; R83-E126 IonicContact NH2-OE2 3.61Å |
| 84 | R | 90.8 | Very high | 81.5 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 12% | 0.121 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 143.4 | 165.9 | -58.5 | 175.7 | 62.7 | 122.4 | -11.2 | 109.4 | D86 L90 E118 Y123 | R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 WeakPolarHBondContact CB-OD1 3.39Å; R84-D86 IonicContact CZ-OD2 3.63Å; R84-D86 VanDerWaalsContact CZ-OD2 3.23Å; R84-D86 IonicContact NE-OD1 3.86Å; R84-D86 PolarHBondContact NE-OD1 2.86Å; R84-D86 IonicContact NE-OD2 2.69Å; R84-D86 PolarHBondContact NE-OD2 2.98Å; R84-D86 IonicContact NH2-OD2 3.62Å; R84-D86 PolarHBondContact NH2-OD2 2.85Å; R84-L90 HydrophobicContact CG-CD2 3.83Å; R84-E118 PolarHBondContact NH1-O 3.41Å; R84-E118 PolarHBondContact NH2-O 2.92Å; R84-Y123 HydrophobicContact CG-CD1 4.17Å; R84-Y123 HydrophobicContact CG-CE1 3.68Å; R84-Y123 PolarHBondContact NH1-OH 2.88Å |
| 85 | G | 88.8 | Confident | 79.4 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G87 P122 | G85-G87 PolarHBondContact O-N 3.03Å; G85-P122 PolarHBondContact N-O 2.04Å |
| 86 | D | 87.3 | Confident | 77.4 | Confident | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -0.5 | 174.5 | 65.2 | 12.8 | 0 | 0 | 0 | 114.1 | R84 Q88 | R84-D86 VanDerWaalsContact C-N 3.3Å; R84-D86 WeakPolarHBondContact CB-OD1 3.39Å; R84-D86 IonicContact CZ-OD2 3.63Å; R84-D86 VanDerWaalsContact CZ-OD2 3.23Å; R84-D86 IonicContact NE-OD1 3.86Å; R84-D86 PolarHBondContact NE-OD1 2.86Å; R84-D86 IonicContact NE-OD2 2.69Å; R84-D86 PolarHBondContact NE-OD2 2.98Å; R84-D86 IonicContact NH2-OD2 3.62Å; R84-D86 PolarHBondContact NH2-OD2 2.85Å; D86-Q88 VanDerWaalsContact C-N 3.25Å; D86-Q88 PolarHBondContact O-N 2.94Å; D86-Q88 VanDerWaalsContact OD1-CB 3.29Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.4Å; D86-Q88 PolarHBondContact OD1-N 3.22Å |
| 87 | G | 82.9 | Confident | 75.1 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 77.1 | -0.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G85 | G85-G87 PolarHBondContact O-N 3.03Š|
| 88 | Q | 82.3 | Confident | 73 | Confident | 121 Ų | 121 | 80.3 Ų | 80.3 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 151.1 | 173.4 | -65.9 | -61.5 | -49.9 | 0 | 0 | 111.3 | D86 | D86-Q88 VanDerWaalsContact C-N 3.25Å; D86-Q88 PolarHBondContact O-N 2.94Å; D86-Q88 VanDerWaalsContact OD1-CB 3.29Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.4Å; D86-Q88 PolarHBondContact OD1-N 3.22Å |
| 89 | P | 79.6 | Confident | 70.3 | Confident | 104 Ų | 104 | 83.6 Ų | 83.6 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 148.9 | 172.7 | 27.5 | -34.9 | 0 | 0 | 0 | 111.1 | G91 | P89-G91 PolarHBondContact O-N 3.01Š|
| 90 | L | 78.3 | Confident | 67.4 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 33% | 0.325 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 123.9 | 166.7 | -71.9 | 175 | 0 | 0 | 0 | 108.9 | W82 R84 L94 L110 Y123 | W82-L90 HydrophobicContact CB-CD1 4.02Å; W82-L90 VanDerWaalsContact O-CD1 3.23Å; W82-L90 WeakPolarHBondContact O-CD1 3.45Å; R84-L90 HydrophobicContact CG-CD2 3.83Å; L90-L94 HydrophobicContact CB-CD1 3.83Å; L90-L94 HydrophobicContact CD2-CD1 3.67Å; L90-L94 HydrophobicContact CG-CD1 4.3Å; L90-L110 HydrophobicContact CD2-CD2 4.26Å; L90-Y123 HydrophobicContact CD2-CD1 3.98Å; L90-Y123 HydrophobicContact CD2-CE1 3.71Å |
| 91 | G | 62.8 | Low | 64.8 | Low | 39 Ų | 39 | 95 Ų | 95 | 40% | 0.402 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 149.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P89 R93 L94 | P89-G91 PolarHBondContact O-N 3.01Å; G91-R93 PolarHBondContact O-N 3.18Å; G91-L94 WeakPolarHBondContact O-CB 3.29Å; G91-L94 WeakPolarHBondContact O-CG 3.41Å; G91-L94 PolarHBondContact O-N 3.01Å |
| 92 | L | 52.4 | Low | 61.9 | Low | 190 Ų | 190 | 96.8 Ų | 96.8 | 100% | 0.995 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -11.8 | -176.3 | -68.2 | 166.6 | 0 | 0 | 0 | 115.2 | ||
| 93 | R | 51.9 | Low | 59.1 | Low | 179 Ų | 179 | 106.9 Ų | 106.9 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -7.1 | 174.6 | -59.3 | -176.4 | -171.2 | 134.6 | 0.2 | 113.5 | G91 G95 E118 | G91-R93 PolarHBondContact O-N 3.18Å; R93-G95 PolarHBondContact O-N 2.84Å; R93-E118 IonicContact CZ-OE1 2.56Å; R93-E118 IonicContact NH1-OE1 3.08Å; R93-E118 PolarHBondContact NH1-OE1 3.17Å |
| 94 | L | 54.9 | Low | 56.7 | Low | 25 Ų | 25 | 109.7 Ų | 109.7 | 13% | 0.131 | 62% | 0.615 | C | S | . | * | B | Isolated β-bridge | trans | -81.8 | 114.9 | -176 | -66 | 169 | 0 | 0 | 0 | 110.6 | L90 G91 A96 L110 F112 | L90-L94 HydrophobicContact CB-CD1 3.83Å; L90-L94 HydrophobicContact CD2-CD1 3.67Å; L90-L94 HydrophobicContact CG-CD1 4.3Å; G91-L94 WeakPolarHBondContact O-CB 3.29Å; G91-L94 WeakPolarHBondContact O-CG 3.41Å; G91-L94 PolarHBondContact O-N 3.01Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.3Å; L94-L110 HydrophobicContact CB-CD1 4.25Å; L94-L110 HydrophobicContact CD1-CD1 4.35Å; L94-L110 HydrophobicContact CD2-CD1 4.4Å; L94-F112 HydrophobicContact CD2-CD1 3.39Å; L94-F112 HydrophobicContact CD2-CD2 4.45Å; L94-F112 HydrophobicContact CD2-CE1 3.47Å; L94-F112 VanDerWaalsContact CD2-CE1 3.47Å; L94-F112 HydrophobicContact CD2-CG 3.9Å; L94-F112 HydrophobicContact CD2-CZ 4.05Å |
| 95 | G | 45.2 | Very low | 54.3 | Low | 40 Ų | 40 | 114.8 Ų | 114.8 | 41% | 0.412 | 65% | 0.652 | S | S | . | * | trans | -74.1 | 74.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R93 G97 F111 | R93-G95 PolarHBondContact O-N 2.84Å; G95-G97 PolarHBondContact O-N 3.22Å; G95-F111 PolarHBondContact N-O 2.81Å | ||
| 96 | A | 47.3 | Very low | 52.7 | Low | 79 Ų | 79 | 118.7 Ų | 118.7 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -71.1 | 67.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L94 R98 | L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.3Å; A96-R98 PolarHBondContact O-N 3.01Å |
| 97 | G | 42.7 | Very low | 51.4 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 66% | 0.66 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 67.1 | 26.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | G95 | G95-G97 PolarHBondContact O-N 3.22Š|
| 98 | R | 45.4 | Very low | 51.2 | Low | 248 Ų | 248 | 115.6 Ų | 115.6 | 94% | 0.936 | 64% | 0.639 | S | S | * | * | trans | -120.8 | 79.8 | 176.5 | -69.1 | -170.2 | 178.4 | -128.7 | 0.4 | 112.6 | A96 | A96-R98 PolarHBondContact O-N 3.01Š| ||
| 99 | G | 33.7 | Very low | 51.3 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -175.4 | -16.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||
| 100 | S | 29.3 | Very low | 51.7 | Low | 111 Ų | 111 | 108 Ų | 108 | 78% | 0.776 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -152.3 | 165.7 | 177 | -162.8 | 0 | 0 | 0 | 0 | 113.9 | S102 | S100-S102 PolarHBondContact O-N 3.27Š|
| 101 | R | 35 | Very low | 52 | Low | 254 Ų | 254 | 108.9 Ų | 108.9 | 96% | 0.958 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -72.4 | 65.9 | -160.2 | -59.5 | -178.9 | 178.8 | -169.2 | 0 | 115.2 | ||
| 102 | S | 29.1 | Very low | 53.1 | Low | 101 Ų | 101 | 107.2 Ų | 107.2 | 71% | 0.706 | 58% | 0.581 | S | S | * | * | trans | -125.1 | 146.7 | 157.7 | 74.5 | 0 | 0 | 0 | 0 | 111.1 | S100 | S100-S102 PolarHBondContact O-N 3.27Š| ||
| 103 | R | 32.9 | Very low | 54.6 | Low | 245 Ų | 245 | 105.3 Ų | 105.3 | 93% | 0.925 | 57% | 0.568 | S | S | * | * | trans | -106.6 | 72.2 | -174.6 | -173.9 | -165.1 | -100.4 | -158.6 | -5.1 | 110.1 | ||||
| 104 | Q | 37.6 | Very low | 56.1 | Low | 155 Ų | 155 | 100 Ų | 100 | 72% | 0.724 | 56% | 0.558 | S | S | * | * | trans | -150.7 | 121.6 | 176.3 | -116.6 | 161 | -27.7 | 0 | 0 | 111.9 | D106 | Q104-D106 PolarHBondContact O-N 2.91Š| ||
| 105 | P | 41.9 | Very low | 57.6 | Low | 138 Ų | 138 | 98.9 Ų | 98.9 | 90% | 0.896 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -76.1 | 9 | 176.1 | -15.8 | 31.7 | 0 | 0 | 0 | 115 | S107 | P105-S107 PolarHBondContact O-N 3.45Š|
| 106 | D | 54.5 | Low | 59.5 | Low | 121 Ų | 121 | 97.5 Ų | 97.5 | 65% | 0.647 | 54% | 0.537 | S | S | * | . | trans | -107.9 | 50.2 | -156.3 | -157.7 | 21 | 0 | 0 | 0 | 112 | Q104 G108 | Q104-D106 PolarHBondContact O-N 2.91Å; D106-G108 PolarHBondContact O-N 2.93Å; D106-G108 VanDerWaalsContact O-N 3.07Å | ||
| 107 | S | 59.8 | Low | 61.1 | Low | 61 Ų | 61 | 95.3 Ų | 95.3 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | trans | -83.2 | 81.7 | -174.3 | 64 | 0 | 0 | 0 | 0 | 112 | P105 V109 | P105-S107 PolarHBondContact O-N 3.45Å; S107-V109 PolarHBondContact O-N 2.76Å | ||
| 108 | G | 78 | Confident | 62.9 | Low | 10 Ų | 10 | 96.9 Ų | 96.9 | 10% | 0.103 | 51% | 0.506 | C | S | . | . | trans | -63.6 | 14 | 165 | 0 | 0 | 0 | 0 | 0 | 114.8 | C70 D106 | C70-G108 CarbonylContact C-O 3.3Å; C70-G108 PolarHBondContact N-O 3.26Å; C70-G108 CarbonylContact O-C 3.56Å; C70-G108 VanDerWaalsContact O-CA 3.24Å; C70-G108 WeakPolarHBondContact O-CA 3.13Å; D106-G108 PolarHBondContact O-N 2.93Å; D106-G108 VanDerWaalsContact O-N 3.07Å | ||
| 109 | V | 85.9 | Confident | 64.8 | Low | 53 Ų | 53 | 86 Ų | 86 | 32% | 0.321 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.5 | -174.5 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | L67 L68 A69 S107 | L67-V109 HydrophobicContact CB-CG1 3.87Å; L67-V109 HydrophobicContact CD1-CG1 4.08Å; L68-V109 CarbonylContact O-C 3.54Å; L68-V109 VanDerWaalsContact O-CA 3.29Å; L68-V109 WeakPolarHBondContact O-CA 3.35Å; A69-V109 HydrophobicContact CB-CG2 4.17Å; S107-V109 PolarHBondContact O-N 2.76Å |
| 110 | L | 86.8 | Confident | 67.5 | Low | 11 Ų | 11 | 86.5 Ų | 86.5 | 6% | 0.058 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.5 | 166.7 | -177.6 | 64 | 0 | 0 | 0 | 108.7 | L67 L68 W82 L90 L94 F112 Y123 | L67-L110 VanDerWaalsContact CA-O 3.3Å; L67-L110 WeakPolarHBondContact CA-O 3.13Å; L68-L110 HydrophobicContact CB-CB 4.49Å; L68-L110 PolarHBondContact N-O 3.15Å; L68-L110 PolarHBondContact O-N 2.9Å; W82-L110 HydrophobicContact CB-CD1 4.48Å; W82-L110 HydrophobicContact CB-CD2 4.39Å; W82-L110 HydrophobicContact CD2-CB 3.83Å; W82-L110 HydrophobicContact CD2-CD2 4.3Å; W82-L110 HydrophobicContact CE3-CB 4.41Å; W82-L110 HydrophobicContact CE3-CD2 4.25Å; W82-L110 HydrophobicContact CG-CB 3.91Å; W82-L110 HydrophobicContact CG-CD2 4.39Å; W82-L110 HydrophobicContact CZ2-CB 4.35Å; L90-L110 HydrophobicContact CD2-CD2 4.26Å; L94-L110 HydrophobicContact CB-CD1 4.25Å; L94-L110 HydrophobicContact CD1-CD1 4.35Å; L94-L110 HydrophobicContact CD2-CD1 4.4Å; L110-F112 HydrophobicContact CD2-CE2 3.98Å; L110-F112 HydrophobicContact CD2-CZ 3.85Å; L110-F112 HydrophobicContact CG-CE2 3.94Å; L110-F112 HydrophobicContact CG-CZ 4.21Å; L110-Y123 HydrophobicContact CD2-CD1 3.31Å; L110-Y123 HydrophobicContact CD2-CE1 3.67Å; L110-Y123 HydrophobicContact CD2-CG 4.09Å |
| 111 | F | 85.8 | Confident | 70.4 | Confident | 82 Ų | 82 | 81.5 Ų | 81.5 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.7 | -176.9 | -178.5 | -104.5 | 0 | 0 | 0 | 112.3 | A66 L67 G95 E113 | A66-F111 WeakPolarHBondContact O-CD2 3.31Å; L67-F111 HydrophobicContact CB-CD2 4.2Å; G95-F111 PolarHBondContact N-O 2.81Å; F111-E113 HydrophobicContact CE1-CB 3.96Å; F111-E113 HydrophobicContact CE1-CG 4.48Å |
| 112 | F | 85.5 | Confident | 73.2 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 1% | 0.013 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 116 | 174.2 | -57 | -105.5 | 0 | 0 | 0 | 107.5 | S65 A66 L68 L94 L110 V115 D119 Y123 L140 | S65-F112 CarbonylContact C-O 3.53Å; S65-F112 WeakPolarHBondContact CA-O 3.48Å; S65-F112 VanDerWaalsContact CB-O 3.28Å; S65-F112 WeakPolarHBondContact CB-O 3.37Å; A66-F112 HydrophobicContact CB-CB 4.19Å; A66-F112 HydrophobicContact CB-CD2 4.17Å; A66-F112 HydrophobicContact CB-CG 4.43Å; A66-F112 PolarHBondContact N-O 2.92Å; A66-F112 PolarHBondContact O-N 3.49Å; L68-F112 HydrophobicContact CD1-CE2 4.35Å; L68-F112 HydrophobicContact CG-CE2 4.4Å; L94-F112 HydrophobicContact CD2-CD1 3.39Å; L94-F112 HydrophobicContact CD2-CD2 4.45Å; L94-F112 HydrophobicContact CD2-CE1 3.47Å; L94-F112 VanDerWaalsContact CD2-CE1 3.47Å; L94-F112 HydrophobicContact CD2-CG 3.9Å; L94-F112 HydrophobicContact CD2-CZ 4.05Å; L110-F112 HydrophobicContact CD2-CE2 3.98Å; L110-F112 HydrophobicContact CD2-CZ 3.85Å; L110-F112 HydrophobicContact CG-CE2 3.94Å; L110-F112 HydrophobicContact CG-CZ 4.21Å; F112-V115 HydrophobicContact CB-CG2 3.62Å; F112-V115 HydrophobicContact CD1-CG2 4.42Å; F112-V115 HydrophobicContact CG-CG2 4.16Å; F112-D119 HydrophobicContact CD1-CB 4.09Å; F112-D119 HydrophobicContact CE1-CB 3.95Å; F112-Y123 HydrophobicContact CE1-CE1 4.26Å; F112-Y123 HydrophobicContact CE1-CE2 4.37Å; F112-Y123 AromaticContact CE1-CZ 3.79Å; F112-Y123 WeakPolarHBondContact CE1-OH 3.29Å; F112-Y123 HydrophobicContact CZ-CD1 4.38Å; F112-Y123 HydrophobicContact CZ-CD2 4.45Å; F112-Y123 AromaticContact CZ-CE1 3.79Å; F112-Y123 HydrophobicContact CZ-CE1 3.79Å; F112-Y123 AromaticContact CZ-CE2 3.91Å; F112-Y123 HydrophobicContact CZ-CE2 3.91Å; F112-Y123 AromaticContact CZ-CZ 3.56Å; F112-L140 HydrophobicContact CD1-CD2 3.84Å; F112-L140 HydrophobicContact CD2-CD2 4.34Å; F112-L140 HydrophobicContact CE1-CD2 3.57Å; F112-L140 HydrophobicContact CE2-CD2 4.12Å; F112-L140 HydrophobicContact CG-CD2 4.24Å; F112-L140 HydrophobicContact CZ-CD2 3.74Å |
| 113 | E | 83.3 | Confident | 76.3 | Confident | 150 Ų | 150 | 66.3 Ų | 66.3 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -72.5 | -41.3 | -178.9 | -175.9 | 173 | -153.7 | 0 | 0 | 112.2 | S65 F111 | S65-E113 WeakPolarHBondContact CA-O 3.41Å; S65-E113 WeakPolarHBondContact CB-O 3.41Å; F111-E113 HydrophobicContact CE1-CB 3.96Å; F111-E113 HydrophobicContact CE1-CG 4.48Å |
| 114 | S | 83.5 | Confident | 79.2 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 47% | 0.469 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -147.6 | 106.8 | 175.5 | 157.1 | 0 | 0 | 0 | 0 | 108.3 | R64 | R64-S114 WeakPolarHBondContact O-CA 3.41Š|
| 115 | V | 86.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | trans | -69.2 | 129.2 | -174.7 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | V60 G63 R64 A66 F112 D119 L140 V142 | V60-V115 HydrophobicContact CG1-CB 4.36Å; V60-V115 HydrophobicContact CG1-CG1 4.01Å; V60-V115 HydrophobicContact CG1-CG2 4.05Å; V60-V115 HydrophobicContact CG2-CG2 4.48Å; G63-V115 PolarHBondContact N-O 3.29Å; R64-V115 WeakPolarHBondContact O-CB 3.4Å; R64-V115 WeakPolarHBondContact O-CG2 3.22Å; R64-V115 PolarHBondContact O-N 2.76Å; A66-V115 HydrophobicContact CB-CG2 3.66Å; F112-V115 HydrophobicContact CB-CG2 3.62Å; F112-V115 HydrophobicContact CD1-CG2 4.42Å; F112-V115 HydrophobicContact CG-CG2 4.16Å; V115-D119 HydrophobicContact CG1-CB 4.27Å; V115-L140 HydrophobicContact CG1-CD2 4.03Å; V115-L140 HydrophobicContact CG2-CD2 4.25Å; V115-V142 HydrophobicContact CG1-CB 4.29Å; V115-V142 HydrophobicContact CG1-CG1 3.87Å; V115-V142 HydrophobicContact CG1-CG2 3.48Å; V115-V142 VanDerWaalsContact CG1-CG2 3.48Å | ||
| 116 | A | 84.2 | Confident | 84.2 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | trans | -112.2 | 164.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E118 D119 | A116-E118 HydrophobicContact CB-CG 4.09Å; A116-E118 WeakPolarHBondContact CB-OE1 3.46Å; A116-E118 WeakPolarHBondContact CB-OE2 3.47Å; A116-E118 PolarHBondContact O-N 3.09Å; A116-E118 VanDerWaalsContact O-N 3.12Å; A116-D119 PolarHBondContact N-OD2 2.97Å; A116-D119 PolarHBondContact O-N 2.9Å | ||
| 117 | P | 80.9 | Confident | 86.1 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 21% | 0.208 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -50 | -33.7 | 175.3 | -32.1 | 39.4 | 0 | 0 | 0 | 115.2 | L62 A146 R175 | L62-P117 HydrophobicContact CD2-CG 3.8Å; P117-A146 HydrophobicContact CG-CB 4.36Å; P117-R175 HydrophobicContact CB-CG 4.13Å; P117-R175 HydrophobicContact CG-CG 4.38Å; P117-R175 PolarHBondContact O-NE 2.96Å; P117-R175 PolarHBondContact O-NH2 2.86Å |
| 118 | E | 82.1 | Confident | 87.7 | Confident | 98 Ų | 98 | 41.2 Ų | 41.2 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -78.2 | -13.2 | -178.9 | 58.3 | -91.9 | -150.7 | 0 | 0 | 114.8 | R84 R93 A116 | R84-E118 PolarHBondContact NH1-O 3.41Å; R84-E118 PolarHBondContact NH2-O 2.92Å; R93-E118 IonicContact CZ-OE1 2.56Å; R93-E118 IonicContact NH1-OE1 3.08Å; R93-E118 PolarHBondContact NH1-OE1 3.17Å; A116-E118 HydrophobicContact CB-CG 4.09Å; A116-E118 WeakPolarHBondContact CB-OE1 3.46Å; A116-E118 WeakPolarHBondContact CB-OE2 3.47Å; A116-E118 PolarHBondContact O-N 3.09Å; A116-E118 VanDerWaalsContact O-N 3.12Å |
| 119 | D | 85 | Confident | 88.4 | Confident | 20 Ų | 20 | 41.6 Ų | 41.6 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -83.9 | -7 | -179.3 | -65.9 | -46.1 | 0 | 0 | 0 | 113.6 | F112 V115 A116 A121 Y123 L140 | F112-D119 HydrophobicContact CD1-CB 4.09Å; F112-D119 HydrophobicContact CE1-CB 3.95Å; V115-D119 HydrophobicContact CG1-CB 4.27Å; A116-D119 PolarHBondContact N-OD2 2.97Å; A116-D119 PolarHBondContact O-N 2.9Å; D119-A121 PolarHBondContact O-N 2.85Å; D119-Y123 WeakPolarHBondContact O-CE2 3.36Å; D119-Y123 PolarHBondContact O-OH 2.87Å; D119-Y123 VanDerWaalsContact O-OH 3.09Å; D119-L140 HydrophobicContact CB-CD2 3.91Å |
| 120 | Q | 89.1 | Confident | 88.7 | Confident | 90 Ų | 90 | 44.5 Ų | 44.5 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | trans | -71.4 | 100.6 | 176.5 | -172.5 | -179.3 | -5 | 0 | 0 | 111.2 | L140 V142 R175 | Q120-L140 WeakPolarHBondContact CG-O 3.35Å; Q120-V142 HydrophobicContact CB-CB 4.2Å; Q120-V142 HydrophobicContact CB-CG2 3.81Å; Q120-R175 VanDerWaalsContact OE1-CZ 3.25Å | ||
| 121 | A | 90.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -155 | 164.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | D119 Y123 L140 | D119-A121 PolarHBondContact O-N 2.85Å; A121-Y123 HydrophobicContact CB-CD2 4.4Å; A121-Y123 HydrophobicContact CB-CE2 3.83Å; A121-Y123 VanDerWaalsContact O-CD2 3.24Å; A121-Y123 WeakPolarHBondContact O-CD2 3.02Å; A121-Y123 WeakPolarHBondContact O-CE2 3.44Å; A121-L140 PolarHBondContact O-N 2.88Å |
| 122 | P | 94.8 | Very high | 89.2 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 23% | 0.234 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 141.1 | 153.8 | 29.7 | -33.7 | 0 | 0 | 0 | 110.4 | G85 E137 R139 | G85-P122 PolarHBondContact N-O 2.04Å; P122-E137 VanDerWaalsContact CB-CD 3.45Å; P122-E137 HydrophobicContact CB-CG 3.86Å; P122-E137 VanDerWaalsContact CB-OE1 3.3Å; P122-E137 WeakPolarHBondContact CB-OE1 3.24Å; P122-R139 HydrophobicContact CB-CG 4.48Å |
| 123 | Y | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.2 | 175.7 | -73.3 | -93.6 | 0 | 0 | 0 | 109.1 | L68 R83 R84 L90 L110 F112 D119 A121 E137 A138 L140 | L68-Y123 HydrophobicContact CD1-CD2 3.97Å; L68-Y123 HydrophobicContact CD1-CG 3.88Å; R83-Y123 WeakPolarHBondContact O-CA 3.42Å; R84-Y123 HydrophobicContact CG-CD1 4.17Å; R84-Y123 HydrophobicContact CG-CE1 3.68Å; R84-Y123 PolarHBondContact NH1-OH 2.88Å; L90-Y123 HydrophobicContact CD2-CD1 3.98Å; L90-Y123 HydrophobicContact CD2-CE1 3.71Å; L110-Y123 HydrophobicContact CD2-CD1 3.31Å; L110-Y123 HydrophobicContact CD2-CE1 3.67Å; L110-Y123 HydrophobicContact CD2-CG 4.09Å; F112-Y123 HydrophobicContact CE1-CE1 4.26Å; F112-Y123 HydrophobicContact CE1-CE2 4.37Å; F112-Y123 AromaticContact CE1-CZ 3.79Å; F112-Y123 WeakPolarHBondContact CE1-OH 3.29Å; F112-Y123 HydrophobicContact CZ-CD1 4.38Å; F112-Y123 HydrophobicContact CZ-CD2 4.45Å; F112-Y123 AromaticContact CZ-CE1 3.79Å; F112-Y123 HydrophobicContact CZ-CE1 3.79Å; F112-Y123 AromaticContact CZ-CE2 3.91Å; F112-Y123 HydrophobicContact CZ-CE2 3.91Å; F112-Y123 AromaticContact CZ-CZ 3.56Å; D119-Y123 WeakPolarHBondContact O-CE2 3.36Å; D119-Y123 PolarHBondContact O-OH 2.87Å; D119-Y123 VanDerWaalsContact O-OH 3.09Å; A121-Y123 HydrophobicContact CB-CD2 4.4Å; A121-Y123 HydrophobicContact CB-CE2 3.83Å; A121-Y123 VanDerWaalsContact O-CD2 3.24Å; A121-Y123 WeakPolarHBondContact O-CD2 3.02Å; A121-Y123 WeakPolarHBondContact O-CE2 3.44Å; Y123-E137 WeakPolarHBondContact O-CA 3.49Å; Y123-A138 PolarHBondContact N-O 2.89Å; Y123-A138 PolarHBondContact O-N 3.4Å; Y123-L140 HydrophobicContact CD2-CB 4.19Å; Y123-L140 HydrophobicContact CE2-CB 3.91Å |
| 124 | V | 94.1 | Very high | 90.3 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.2 | -177.9 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | W82 R83 Q135 A136 E137 | W82-V124 WeakPolarHBondContact CA-O 3.41Å; R83-V124 HydrophobicContact CG-CB 4.03Å; R83-V124 PolarHBondContact N-O 3.37Å; R83-V124 PolarHBondContact O-N 2.89Å; V124-Q135 HydrophobicContact CG1-CB 4.22Å; V124-Q135 HydrophobicContact CG1-CG 4.48Å; V124-A136 WeakPolarHBondContact CA-O 3.45Å; V124-E137 HydrophobicContact CG2-CB 4.26Å; V124-E137 HydrophobicContact CG2-CG 4.22Å |
| 125 | C | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 132.8 | 163.6 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | C70 T81 W82 Q135 A136 | C70-C125 HydrophobicContact CB-CB 3.64Å; C70-C125 WeakPolarHBondContact CB-SG 3.47Å; C70-C125 WeakPolarHBondContact SG-CB 3.48Å; C70-C125 CovalentContact SG-SG 2.03Å; C70-C125 PolarHBondContact SG-SG 2.84Å; T81-C125 CarbonylContact O-C 3.21Å; T81-C125 WeakPolarHBondContact O-CA 3.29Å; W82-C125 HydrophobicContact CD2-CB 4.3Å; W82-C125 HydrophobicContact CE3-CB 4.12Å; W82-C125 HydrophobicContact CH2-CB 4.02Å; W82-C125 HydrophobicContact CZ2-CB 4.16Å; W82-C125 HydrophobicContact CZ3-CB 3.98Å; C125-Q135 WeakPolarHBondContact O-CA 3.48Å; C125-A136 PolarHBondContact N-O 2.81Å; C125-A136 PolarHBondContact O-N 3.41Å; C125-A136 VanDerWaalsContact O-N 3.11Å |
| 126 | E | 93.1 | Very high | 91.3 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.7 | 165.9 | 179.2 | 169.1 | 145.3 | 0 | 0 | 109.8 | T81 R83 K133 V134 Q135 | T81-E126 PolarHBondContact N-O 2.66Å; T81-E126 PolarHBondContact O-N 2.78Å; T81-E126 PolarHBondContact OG1-O 2.89Å; R83-E126 IonicContact CZ-OE2 3.11Å; R83-E126 IonicContact NH1-OE2 3.91Å; R83-E126 PolarHBondContact NH1-OE2 2.93Å; R83-E126 IonicContact NH2-OE2 3.61Å; E126-K133 HydrophobicContact CG-CB 4.39Å; E126-V134 WeakPolarHBondContact CA-O 3.24Å; E126-Q135 HydrophobicContact CB-CG 3.96Å; E126-Q135 HydrophobicContact CG-CG 3.96Å; E126-Q135 PolarHBondContact OE2-NE2 3.15Å |
| 127 | A | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P49 L51 A72 P78 T79 V80 K133 V134 | P49-A127 HydrophobicContact CB-CB 4.32Å; L51-A127 HydrophobicContact CD2-CB 4.1Å; A72-A127 HydrophobicContact CB-CB 3.35Å; P78-A127 HydrophobicContact CB-CB 4.34Å; T79-A127 WeakPolarHBondContact O-CA 3.37Å; V80-A127 HydrophobicContact CG2-CB 4.17Å; A127-K133 CarbonylContact O-C 3.21Å; A127-K133 VanDerWaalsContact O-CA 3.29Å; A127-K133 WeakPolarHBondContact O-CA 3.47Å; A127-V134 HydrophobicContact CB-CG1 3.97Å; A127-V134 PolarHBondContact N-O 2.81Å; A127-V134 PolarHBondContact O-N 3.42Å |
| 128 | R | 94.4 | Very high | 92.5 | Very high | 156 Ų | 156 | 50.3 Ų | 50.3 | 59% | 0.589 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138 | 138.2 | -170.3 | -178.4 | 175.8 | 173.3 | -164.9 | -3.7 | 112.6 | P78 T79 G132 K133 | P78-R128 CarbonylContact C-O 3.6Å; P78-R128 VanDerWaalsContact CA-O 3.31Å; P78-R128 WeakPolarHBondContact CA-O 3.3Å; T79-R128 PolarHBondContact N-O 2.86Å; T79-R128 PolarHBondContact O-N 2.81Å; R128-G132 WeakPolarHBondContact CA-O 3.46Å; R128-K133 HydrophobicContact CB-CB 4.18Å; R128-K133 HydrophobicContact CG-CB 4.18Å |
| 129 | N | 92.5 | Very high | 93 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 10% | 0.102 | 26% | 0.255 | C | S | . | . | trans | -132.9 | -165.4 | 164 | 73.4 | 7.7 | 0 | 0 | 0 | 110.2 | H47 P49 P76 P78 F131 G132 | H47-N129 PolarHBondContact O-ND2 2.95Å; P49-N129 WeakPolarHBondContact CD-OD1 3.35Å; P49-N129 HydrophobicContact CG-CB 4.22Å; P76-N129 WeakPolarHBondContact O-CB 3.47Å; P76-N129 PolarHBondContact O-ND2 3.4Å; P78-N129 HydrophobicContact CB-CB 4.45Å; N129-F131 VanDerWaalsContact C-N 3.3Å; N129-F131 PolarHBondContact O-N 3.04Å; N129-F131 PolarHBondContact OD1-N 2.9Å; N129-G132 PolarHBondContact N-O 2.77Å; N129-G132 PolarHBondContact OD1-N 2.99Å | ||
| 130 | V | 90.6 | Very high | 93.4 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 69% | 0.685 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -72.7 | -18.4 | -179.7 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | P76 | P76-V130 HydrophobicContact CG-CG2 4.43Š|
| 131 | F | 91.7 | Very high | 93.4 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -97.9 | -11.5 | -178.6 | -64.1 | -71.5 | 0 | 0 | 0 | 113.8 | A44 G46 A48 R75 N129 | A44-F131 HydrophobicContact CB-CZ 3.92Å; A44-F131 WeakPolarHBondContact O-CZ 3.4Å; G46-F131 VanDerWaalsContact CA-CE2 3.48Å; A48-F131 HydrophobicContact CB-CB 4.36Å; R75-F131 WeakPolarHBondContact O-CD2 3.41Å; R75-F131 VanDerWaalsContact O-CE2 3.29Å; R75-F131 WeakPolarHBondContact O-CE2 3.35Å; N129-F131 VanDerWaalsContact C-N 3.3Å; N129-F131 PolarHBondContact O-N 3.04Å; N129-F131 PolarHBondContact OD1-N 2.9Å |
| 132 | G | 93 | Very high | 93.3 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | trans | 169.3 | -172.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P49 R128 N129 | P49-G132 VanDerWaalsContact CD-C 3.48Å; P49-G132 WeakPolarHBondContact CD-O 3.26Å; R128-G132 WeakPolarHBondContact CA-O 3.46Å; N129-G132 PolarHBondContact N-O 2.77Å; N129-G132 PolarHBondContact OD1-N 2.99Å | ||
| 133 | K | 95.2 | Very high | 92.8 | Very high | 135 Ų | 135 | 50.8 Ų | 50.8 | 59% | 0.587 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.5 | 173.2 | 65.5 | 179.5 | -175.1 | 175.4 | 0 | 110.1 | E126 A127 R128 | E126-K133 HydrophobicContact CG-CB 4.39Å; A127-K133 CarbonylContact O-C 3.21Å; A127-K133 VanDerWaalsContact O-CA 3.29Å; A127-K133 WeakPolarHBondContact O-CA 3.47Å; R128-K133 HydrophobicContact CB-CB 4.18Å; R128-K133 HydrophobicContact CG-CB 4.18Å |
| 134 | V | 95.9 | Very high | 92.4 | Very high | 44 Ų | 44 | 53 Ų | 53 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.2 | 171.7 | 68.6 | 0 | 0 | 0 | 0 | 108.7 | P49 L51 E126 A127 | P49-V134 HydrophobicContact CB-CG1 4Å; P49-V134 WeakPolarHBondContact O-CG1 3.32Å; L51-V134 HydrophobicContact CD1-CG2 4.35Å; L51-V134 HydrophobicContact CD2-CG1 3.67Å; L51-V134 HydrophobicContact CG-CG1 3.72Å; L51-V134 HydrophobicContact CG-CG2 4.06Å; E126-V134 WeakPolarHBondContact CA-O 3.24Å; A127-V134 HydrophobicContact CB-CG1 3.97Å; A127-V134 PolarHBondContact N-O 2.81Å; A127-V134 PolarHBondContact O-N 3.42Å |
| 135 | Q | 95.3 | Very high | 92 | Very high | 84 Ų | 84 | 58 Ų | 58 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 151.3 | -175.4 | -66 | 173.4 | 4 | 0 | 0 | 111.2 | V124 C125 E126 | V124-Q135 HydrophobicContact CG1-CB 4.22Å; V124-Q135 HydrophobicContact CG1-CG 4.48Å; C125-Q135 WeakPolarHBondContact O-CA 3.48Å; E126-Q135 HydrophobicContact CB-CG 3.96Å; E126-Q135 HydrophobicContact CG-CG 3.96Å; E126-Q135 PolarHBondContact OE2-NE2 3.15Å |
| 136 | A | 95.5 | Very high | 91.7 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 149.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L51 P55 V124 C125 | L51-A136 HydrophobicContact CD1-CB 3.45Å; L51-A136 VanDerWaalsContact CD1-CB 3.45Å; P55-A136 HydrophobicContact CG-CB 3.96Å; V124-A136 WeakPolarHBondContact CA-O 3.45Å; C125-A136 PolarHBondContact N-O 2.81Å; C125-A136 PolarHBondContact O-N 3.41Å; C125-A136 VanDerWaalsContact O-N 3.11Å |
| 137 | E | 95.1 | Very high | 91.6 | Very high | 99 Ų | 99 | 61.2 Ų | 61.2 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 145.4 | 178.5 | -175.8 | 177.8 | 120.8 | 0 | 0 | 110.6 | P122 Y123 V124 R139 | P122-E137 VanDerWaalsContact CB-CD 3.45Å; P122-E137 HydrophobicContact CB-CG 3.86Å; P122-E137 VanDerWaalsContact CB-OE1 3.3Å; P122-E137 WeakPolarHBondContact CB-OE1 3.24Å; Y123-E137 WeakPolarHBondContact O-CA 3.49Å; V124-E137 HydrophobicContact CG2-CB 4.26Å; V124-E137 HydrophobicContact CG2-CG 4.22Å; E137-R139 IonicContact OE1-NE 3.93Å |
| 138 | A | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P55 R56 D57 L68 Y123 | P55-A138 HydrophobicContact CB-CB 3.69Å; P55-A138 HydrophobicContact CG-CB 4.06Å; R56-A138 WeakPolarHBondContact O-CB 3.1Å; D57-A138 WeakPolarHBondContact OD1-CA 3.32Å; L68-A138 HydrophobicContact CD2-CB 4.48Å; Y123-A138 PolarHBondContact N-O 2.89Å; Y123-A138 PolarHBondContact O-N 3.4Å |
| 139 | R | 94.4 | Very high | 91.6 | Very high | 137 Ų | 137 | 59.5 Ų | 59.5 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.5 | -176.9 | -59.5 | 175 | 172.6 | -167 | -3.5 | 111.5 | D57 V58 P122 E137 I141 | D57-R139 VanDerWaalsContact CA-O 3.29Å; D57-R139 WeakPolarHBondContact CA-O 3.49Å; D57-R139 PolarHBondContact OD1-N 3.11Å; V58-R139 PolarHBondContact N-O 2.58Å; P122-R139 HydrophobicContact CB-CG 4.48Å; E137-R139 IonicContact OE1-NE 3.93Å; R139-I141 HydrophobicContact CB-CG1 4.36Å |
| 140 | L | 91.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 119.3 | 163.1 | -168.3 | 69.8 | 0 | 0 | 0 | 108.5 | V58 V60 A66 F112 V115 D119 Q120 A121 Y123 V142 | V58-L140 HydrophobicContact CB-CD1 4.03Å; V58-L140 HydrophobicContact CG1-CD1 3.96Å; V60-L140 HydrophobicContact CG1-CD1 3.77Å; V60-L140 HydrophobicContact CG1-CG 4.28Å; A66-L140 HydrophobicContact CB-CD1 3.93Å; F112-L140 HydrophobicContact CD1-CD2 3.84Å; F112-L140 HydrophobicContact CD2-CD2 4.34Å; F112-L140 HydrophobicContact CE1-CD2 3.57Å; F112-L140 HydrophobicContact CE2-CD2 4.12Å; F112-L140 HydrophobicContact CG-CD2 4.24Å; F112-L140 HydrophobicContact CZ-CD2 3.74Å; V115-L140 HydrophobicContact CG1-CD2 4.03Å; V115-L140 HydrophobicContact CG2-CD2 4.25Å; D119-L140 HydrophobicContact CB-CD2 3.91Å; Q120-L140 WeakPolarHBondContact CG-O 3.35Å; A121-L140 PolarHBondContact O-N 2.88Å; Y123-L140 HydrophobicContact CD2-CB 4.19Å; Y123-L140 HydrophobicContact CE2-CB 3.91Å; L140-V142 HydrophobicContact CD2-CG2 4.33Å; L140-V142 HydrophobicContact CG-CG2 4.33Å |
| 141 | I | 90.4 | Very high | 91.8 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 30% | 0.303 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109.1 | -178.7 | -57 | 176.3 | 0 | 0 | 0 | 108 | V58 T59 V60 R139 | V58-I141 PolarHBondContact O-N 3.33Å; T59-I141 WeakPolarHBondContact CA-O 3.18Å; T59-I141 HydrophobicContact CG2-CB 4.42Å; T59-I141 HydrophobicContact CG2-CG2 4.21Å; V60-I141 PolarHBondContact N-O 2.91Å; R139-I141 HydrophobicContact CB-CG1 4.36Å |
| 142 | V | 88.5 | Confident | 91.7 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 116.6 | -174 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | V60 L62 V115 Q120 L140 R175 | V60-V142 WeakPolarHBondContact O-CA 3.29Å; L62-V142 HydrophobicContact CD2-CG1 3.51Å; L62-V142 HydrophobicContact CG-CG1 3.77Å; V115-V142 HydrophobicContact CG1-CB 4.29Å; V115-V142 HydrophobicContact CG1-CG1 3.87Å; V115-V142 HydrophobicContact CG1-CG2 3.48Å; V115-V142 VanDerWaalsContact CG1-CG2 3.48Å; Q120-V142 HydrophobicContact CB-CB 4.2Å; Q120-V142 HydrophobicContact CB-CG2 3.81Å; L140-V142 HydrophobicContact CD2-CG2 4.33Å; L140-V142 HydrophobicContact CG-CG2 4.33Å; V142-R175 PolarHBondContact O-NH1 3.4Å |
| 143 | T | 84.5 | Confident | 91.5 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 168.9 | -176.8 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | T59 V60 E61 L62 | T59-T143 HydrophobicContact CG2-CG2 3.47Å; T59-T143 VanDerWaalsContact CG2-CG2 3.47Å; V60-T143 PolarHBondContact O-N 2.86Å; V60-T143 PolarHBondContact O-OG1 3.3Å; V60-T143 VanDerWaalsContact O-OG1 3.13Å; E61-T143 WeakPolarHBondContact CA-O 3.15Å; L62-T143 WeakPolarHBondContact CG-O 3.43Å; L62-T143 PolarHBondContact N-O 2.81Å |
| 144 | G | 84.3 | Confident | 91.3 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 50% | 0.495 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 89.1 | -177.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 145 | H | 85.9 | Confident | 91.3 | Very high | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.546 | 33% | 0.328 | S | S | . | . | trans | -120.2 | 145.6 | -178.3 | -60.4 | -47.5 | 0 | 0 | 0 | 110.9 | R175 A224 | H145-R175 CarbonylContact C-O 3.58Å; H145-R175 VanDerWaalsContact CA-O 3.25Å; H145-R175 WeakPolarHBondContact CA-O 3.45Å; H145-R175 WeakPolarHBondContact CB-O 3.21Å; H145-A224 HydrophobicContact CB-CB 3.61Å | ||
| 146 | A | 85.6 | Confident | 91.3 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L62 P117 G174 R175 N222 A224 | L62-A146 HydrophobicContact CD1-CB 3.97Å; P117-A146 HydrophobicContact CG-CB 4.36Å; A146-G174 WeakPolarHBondContact O-CA 3.26Å; A146-R175 HydrophobicContact CB-CB 4.14Å; A146-R175 PolarHBondContact N-O 2.96Å; A146-R175 PolarHBondContact O-N 3.47Å; A146-N222 PolarHBondContact O-ND2 2.84Å; A146-A224 VanDerWaalsContact C-CB 3.47Å |
| 147 | P | 90.4 | Very high | 91.4 | Very high | 74 Ų | 74 | 55.9 Ų | 55.9 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 156.9 | -179.8 | 27.9 | -34.9 | 0 | 0 | 0 | 111.5 | Q149 A224 | P147-Q149 PolarHBondContact O-N 2.94Å; P147-A224 HydrophobicContact CB-CB 4.32Å |
| 148 | P | 94.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 133.2 | -177.6 | -21.6 | 35.6 | 0 | 0 | 0 | 112.3 | A173 P178 A220 N222 G225 Q227 | P148-A173 WeakPolarHBondContact CA-O 3.43Å; P148-P178 HydrophobicContact CB-CB 3.89Å; P148-P178 HydrophobicContact CB-CG 3.66Å; P148-P178 HydrophobicContact CG-CB 3.85Å; P148-P178 HydrophobicContact CG-CG 3.78Å; P148-A220 HydrophobicContact CB-CB 3.79Å; P148-A220 WeakPolarHBondContact CG-O 3.32Å; P148-N222 HydrophobicContact CG-CB 4.48Å; P148-G225 VanDerWaalsContact CD-O 3.29Å; P148-G225 WeakPolarHBondContact CD-O 3.23Å; P148-G225 WeakPolarHBondContact CG-O 3.31Å; P148-Q227 HydrophobicContact CB-CB 4.28Å; P148-Q227 WeakPolarHBondContact O-CB 3.32Å |
| 149 | Q | 93.4 | Very high | 91.7 | Very high | 114 Ų | 114 | 59 Ų | 59 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.7 | 169.7 | -61.1 | -172.3 | 7.3 | 0 | 0 | 109.5 | P147 V171 L172 A173 | P147-Q149 PolarHBondContact O-N 2.94Å; Q149-V171 CarbonylContact O-C 3.59Å; Q149-V171 WeakPolarHBondContact O-CA 3.5Å; Q149-L172 HydrophobicContact CB-CB 4.4Å; Q149-L172 PolarHBondContact O-N 3.32Å; Q149-A173 HydrophobicContact CB-CB 4.12Å; Q149-A173 HydrophobicContact CG-CB 4.17Å; Q149-A173 PolarHBondContact N-O 3.47Å |
| 150 | I | 94.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 56 Ų | 56 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.2 | 177.3 | -49.1 | 176.1 | 0 | 0 | 0 | 109 | A220 Q227 R229 | I150-A220 HydrophobicContact CD1-CB 3.69Å; I150-A220 HydrophobicContact CG1-CB 3.85Å; I150-Q227 HydrophobicContact CD1-CB 4.49Å; I150-Q227 HydrophobicContact CD1-CG 4.32Å; I150-Q227 WeakPolarHBondContact CD1-O 3.41Å; I150-Q227 HydrophobicContact CG1-CG 4.25Å; I150-R229 HydrophobicContact CB-CG 3.73Å; I150-R229 HydrophobicContact CD1-CG 4.36Å; I150-R229 HydrophobicContact CG2-CB 4.28Å; I150-R229 HydrophobicContact CG2-CG 3.6Å; I150-R229 PolarHBondContact O-NE 2.78Å; I150-R229 PolarHBondContact O-NH2 3.24Å |
| 151 | A | 92.7 | Very high | 92 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 19% | 0.19 | 35% | 0.349 | C | S | . | . | trans | -55 | 153.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I170 L172 | A151-I170 HydrophobicContact CB-CB 4Å; A151-I170 HydrophobicContact CB-CG2 4.41Å; A151-I170 PolarHBondContact N-O 2.98Å; A151-L172 HydrophobicContact CB-CD1 3.98Å; A151-L172 HydrophobicContact CB-CD2 4.1Å; A151-L172 HydrophobicContact CB-CG 3.95Å | ||
| 152 | S | 90.3 | Very high | 92.2 | Very high | 116 Ų | 116 | 57.9 Ų | 57.9 | 81% | 0.811 | 35% | 0.346 | S | S | * | . | trans | -73.3 | 132 | 168.5 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 153 | S | 89 | Confident | 92.6 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | trans | -114 | 173.1 | 170.9 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 154 | A | 91.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 63.3 Ų | 63.3 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | trans | -63.7 | 133 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T156 V231 | A154-T156 PolarHBondContact O-N 2.8Å; A154-V231 WeakPolarHBondContact O-CG2 3.49Å | ||
| 155 | P | 94.4 | Very high | 93.8 | Very high | 102 Ų | 102 | 61.7 Ų | 61.7 | 66% | 0.662 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -71.6 | -14.4 | -178.1 | 29.5 | -36.3 | 0 | 0 | 0 | 113.1 | E232 | P155-E232 PolarHBondContact O-N 3.36Š|
| 156 | T | 96.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 127.6 | 173.7 | -51.1 | 0 | 0 | 0 | 0 | 109.4 | A154 R158 E232 V234 | A154-T156 PolarHBondContact O-N 2.8Å; T156-R158 HydrophobicContact CG2-CG 4.35Å; T156-E232 CarbonylContact C-O 3.6Å; T156-E232 VanDerWaalsContact CA-O 3.3Å; T156-E232 WeakPolarHBondContact CA-O 3.38Å; T156-E232 HydrophobicContact CG2-CB 4.21Å; T156-E232 HydrophobicContact CG2-CG 4.48Å; T156-V234 HydrophobicContact CG2-CB 4.46Å; T156-V234 HydrophobicContact CG2-CG2 3.7Å |
| 157 | V | 97.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.9 | 171.6 | 173.1 | 0 | 0 | 0 | 0 | 108.2 | V165 L167 V231 E232 L233 V234 | V157-V165 HydrophobicContact CG1-CG2 3.73Å; V157-L167 HydrophobicContact CB-CD2 3.85Å; V157-L167 HydrophobicContact CG1-CD2 4.02Å; V157-L167 HydrophobicContact CG2-CD2 3.82Å; V157-V231 HydrophobicContact CB-CG2 4.31Å; V157-V231 HydrophobicContact CG2-CG2 3.71Å; V157-E232 PolarHBondContact N-O 2.82Å; V157-L233 HydrophobicContact CB-CD1 4.4Å; V157-L233 HydrophobicContact CG1-CD1 4.19Å; V157-V234 PolarHBondContact O-N 3.37Å |
| 158 | R | 97.2 | Very high | 94.9 | Very high | 150 Ų | 150 | 56.5 Ų | 56.5 | 57% | 0.566 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.8 | 178.5 | -66 | -177.9 | 179.6 | -128.7 | -1.6 | 109.3 | T156 V234 Q236 | T156-R158 HydrophobicContact CG2-CG 4.35Å; R158-V234 WeakPolarHBondContact CA-O 3.36Å; R158-V234 HydrophobicContact CG-CB 4.21Å; R158-Q236 HydrophobicContact CB-CG 4.5Å |
| 159 | V | 97.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 142 | -179.2 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | Q163 V165 A208 L233 V234 V235 Q236 | V159-Q163 HydrophobicContact CG2-CB 3.87Å; V159-V165 HydrophobicContact CB-CB 4.34Å; V159-V165 HydrophobicContact CB-CG2 4.5Å; V159-V165 HydrophobicContact CG1-CB 4.31Å; V159-V165 HydrophobicContact CG1-CG1 4.35Å; V159-V165 HydrophobicContact CG2-CB 4.17Å; V159-A208 HydrophobicContact CB-CB 4.49Å; V159-A208 HydrophobicContact CG1-CB 3.5Å; V159-A208 HydrophobicContact CG2-CB 4.14Å; V159-L233 HydrophobicContact CG1-CD1 3.77Å; V159-V234 PolarHBondContact N-O 2.8Å; V159-V234 VanDerWaalsContact N-O 3.14Å; V159-V235 HydrophobicContact CG1-CG2 4.15Å; V159-V235 CarbonylContact O-C 3.56Å; V159-V235 WeakPolarHBondContact O-CA 3.43Å; V159-Q236 PolarHBondContact O-N 3.49Å |
| 160 | L | 97.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140 | 173.5 | 179.7 | 67.7 | 0 | 0 | 0 | 110.6 | G162 Q163 V315 | L160-G162 PolarHBondContact O-N 3.04Å; L160-Q163 HydrophobicContact CB-CG 3.92Å; L160-Q163 HydrophobicContact CD2-CG 4.28Å; L160-Q163 HydrophobicContact CG-CG 4.35Å; L160-Q163 VanDerWaalsContact O-CB 3.32Å; L160-Q163 WeakPolarHBondContact O-CB 3.43Å; L160-Q163 PolarHBondContact O-N 2.9Å; L160-Q163 VanDerWaalsContact O-N 3.12Å; L160-V315 HydrophobicContact CD1-CG1 3.52Å |
| 161 | E | 96.4 | Very high | 94.7 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 140.2 | 175.7 | -175.7 | 162.8 | -116.3 | 0 | 0 | 112.5 | Q163 L209 Q210 V235 Q236 V237 | E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 2.8Å; E161-L209 HydrophobicContact CG-CD2 4.16Å; E161-Q210 PolarHBondContact OE1-N 3.4Å; E161-Q210 VanDerWaalsContact OE1-N 3.12Å; E161-V235 HydrophobicContact CB-CG1 4Å; E161-V235 HydrophobicContact CG-CG1 4.47Å; E161-Q236 PolarHBondContact N-O 3.49Å; E161-V237 HydrophobicContact CB-CG2 4.21Å |
| 162 | G | 95.2 | Very high | 94.6 | Very high | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -17.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | L160 A208 | L160-G162 PolarHBondContact O-N 3.04Å; G162-A208 PolarHBondContact N-O 3.45Å |
| 163 | Q | 96.6 | Very high | 94.4 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -81 | 152.4 | 179.9 | -62.4 | -60.4 | -48.6 | 0 | 0 | 112.7 | V159 L160 E161 A208 | V159-Q163 HydrophobicContact CG2-CB 3.87Å; L160-Q163 HydrophobicContact CB-CG 3.92Å; L160-Q163 HydrophobicContact CD2-CG 4.28Å; L160-Q163 HydrophobicContact CG-CG 4.35Å; L160-Q163 VanDerWaalsContact O-CB 3.32Å; L160-Q163 WeakPolarHBondContact O-CB 3.43Å; L160-Q163 PolarHBondContact O-N 2.9Å; L160-Q163 VanDerWaalsContact O-N 3.12Å; E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 2.8Å; Q163-A208 WeakPolarHBondContact O-CB 3.1Å; Q163-A208 PolarHBondContact O-N 2.93Å |
| 164 | P | 96.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | trans | -70.8 | 149.5 | 172.6 | 28.5 | -34.3 | 0 | 0 | 0 | 112.2 | L205 D206 | P164-L205 VanDerWaalsContact CA-O 3.31Å; P164-L205 WeakPolarHBondContact CA-O 3.36Å; P164-D206 WeakPolarHBondContact CA-O 3.3Å; P164-D206 WeakPolarHBondContact CB-O 3.31Å | ||
| 165 | V | 96.3 | Very high | 94 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.085 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 151.3 | 173.6 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | V157 V159 L167 H204 L205 A208 L233 | V157-V165 HydrophobicContact CG1-CG2 3.73Å; V159-V165 HydrophobicContact CB-CB 4.34Å; V159-V165 HydrophobicContact CB-CG2 4.5Å; V159-V165 HydrophobicContact CG1-CB 4.31Å; V159-V165 HydrophobicContact CG1-CG1 4.35Å; V159-V165 HydrophobicContact CG2-CB 4.17Å; V165-L167 HydrophobicContact CG2-CD2 4.25Å; V165-H204 WeakPolarHBondContact O-CA 3.38Å; V165-H204 PolarHBondContact O-ND1 2.66Å; V165-L205 HydrophobicContact CG1-CB 3.85Å; V165-L205 HydrophobicContact CG1-CD1 3.87Å; V165-L205 HydrophobicContact CG1-CG 4.33Å; V165-L205 PolarHBondContact N-O 3.16Å; V165-L205 PolarHBondContact O-N 3.09Å; V165-A208 HydrophobicContact CG1-CB 4.39Å; V165-L233 HydrophobicContact CG1-CD1 4.42Å; V165-L233 HydrophobicContact CG1-CD2 4.3Å; V165-L233 HydrophobicContact CG2-CD1 4.27Å |
| 166 | S | 95.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.8 | 169.7 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | R198 L203 H204 | S166-R198 VanDerWaalsContact OG-CZ 3.31Å; S166-L203 CarbonylContact C-O 3.6Å; S166-L203 WeakPolarHBondContact CA-O 3.4Å; S166-H204 PolarHBondContact OG-ND1 3.48Å |
| 167 | L | 96 | Very high | 93.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.7 | 174.3 | -56.9 | -179.2 | 0 | 0 | 0 | 108.1 | V157 V165 W182 S202 L203 Y216 V231 L233 | V157-L167 HydrophobicContact CB-CD2 3.85Å; V157-L167 HydrophobicContact CG1-CD2 4.02Å; V157-L167 HydrophobicContact CG2-CD2 3.82Å; V165-L167 HydrophobicContact CG2-CD2 4.25Å; L167-W182 HydrophobicContact CB-CH2 3.61Å; L167-W182 HydrophobicContact CB-CZ2 4.21Å; L167-W182 HydrophobicContact CB-CZ3 4.17Å; L167-W182 WeakPolarHBondContact O-CZ2 3.39Å; L167-S202 CarbonylContact O-C 3.56Å; L167-S202 VanDerWaalsContact O-CA 3.22Å; L167-S202 WeakPolarHBondContact O-CA 3.41Å; L167-S202 WeakPolarHBondContact O-CB 2.98Å; L167-L203 HydrophobicContact CB-CB 4.42Å; L167-L203 HydrophobicContact CD1-CD2 4.37Å; L167-L203 PolarHBondContact N-O 3.21Å; L167-L203 PolarHBondContact O-N 3.12Å; L167-Y216 HydrophobicContact CD1-CD1 4.27Å; L167-Y216 HydrophobicContact CD1-CD2 3.8Å; L167-Y216 HydrophobicContact CD1-CE2 4.44Å; L167-Y216 HydrophobicContact CD1-CG 3.7Å; L167-V231 HydrophobicContact CB-CG1 4.32Å; L167-V231 HydrophobicContact CD1-CG1 4.1Å; L167-V231 HydrophobicContact CD2-CG1 4.4Å; L167-V231 HydrophobicContact CD2-CG2 4.22Å; L167-L233 HydrophobicContact CD1-CB 4.46Å; L167-L233 HydrophobicContact CD1-CD2 4.38Å; L167-L233 HydrophobicContact CD2-CD1 4.46Å |
| 168 | P | 94.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | trans | -78.8 | 142.1 | -171.1 | 30.6 | -35.1 | 0 | 0 | 0 | 112.9 | S202 | P168-S202 WeakPolarHBondContact CA-OG 3.06Š| ||
| 169 | C | 93.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.007 | 32% | 0.317 | C | S | . | . | trans | -135.8 | 77.8 | 167.7 | -172 | 0 | 0 | 0 | 0 | 111.8 | W182 C218 | C169-W182 HydrophobicContact CB-CH2 4.37Å; C169-W182 HydrophobicContact CB-CZ2 3.56Å; C169-C218 HydrophobicContact CB-CB 3.56Å; C169-C218 WeakPolarHBondContact CB-SG 3.45Å; C169-C218 WeakPolarHBondContact SG-CB 3.28Å; C169-C218 CovalentContact SG-SG 2.02Å; C169-C218 PolarHBondContact SG-SG 3Å | ||
| 170 | I | 92 | Very high | 92.7 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 46% | 0.456 | 33% | 0.331 | S | S | . | . | trans | -88.2 | 113.7 | -178.4 | -57.7 | 169.2 | 0 | 0 | 0 | 108.8 | A151 L172 | A151-I170 HydrophobicContact CB-CB 4Å; A151-I170 HydrophobicContact CB-CG2 4.41Å; A151-I170 PolarHBondContact N-O 2.98Å; I170-L172 HydrophobicContact CG2-CD2 4.16Å | ||
| 171 | V | 92.1 | Very high | 92.5 | Very high | 38 Ų | 38 | 62.2 Ų | 62.2 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.9 | 170.1 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | Q149 A173 P178 R180 A220 | Q149-V171 CarbonylContact O-C 3.59Å; Q149-V171 WeakPolarHBondContact O-CA 3.5Å; V171-A173 WeakPolarHBondContact CG1-O 3.47Å; V171-P178 HydrophobicContact CG1-CG 4Å; V171-R180 HydrophobicContact CG2-CG 4.03Å; V171-A220 HydrophobicContact CG2-CB 4.12Å |
| 172 | L | 90.3 | Very high | 92.4 | Very high | 117 Ų | 117 | 59.4 Ų | 59.4 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | -35 | 179.6 | -62.9 | 178.3 | 0 | 0 | 0 | 112.4 | Q149 A151 I170 | Q149-L172 HydrophobicContact CB-CB 4.4Å; Q149-L172 PolarHBondContact O-N 3.32Å; A151-L172 HydrophobicContact CB-CD1 3.98Å; A151-L172 HydrophobicContact CB-CD2 4.1Å; A151-L172 HydrophobicContact CB-CG 3.95Å; I170-L172 HydrophobicContact CG2-CD2 4.16Å |
| 173 | A | 86.7 | Confident | 92.4 | Very high | 25 Ų | 25 | 60 Ų | 60 | 21% | 0.207 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 163.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P148 Q149 V171 | P148-A173 WeakPolarHBondContact CA-O 3.43Å; Q149-A173 HydrophobicContact CB-CB 4.12Å; Q149-A173 HydrophobicContact CG-CB 4.17Å; Q149-A173 PolarHBondContact N-O 3.47Å; V171-A173 WeakPolarHBondContact CG1-O 3.47Å |
| 174 | G | 87.6 | Confident | 92.3 | Very high | 13 Ų | 13 | 57 Ų | 57 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | 139.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A146 P176 | A146-G174 WeakPolarHBondContact O-CA 3.26Å; G174-P176 CarbonylContact C-O 3.54Å; G174-P176 VanDerWaalsContact C-O 3.28Å |
| 175 | R | 84.5 | Confident | 92.1 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 117.9 | 175.9 | -79.7 | -173.1 | 165.2 | -130 | -0.5 | 110.2 | P117 Q120 V142 H145 A146 N222 | P117-R175 HydrophobicContact CB-CG 4.13Å; P117-R175 HydrophobicContact CG-CG 4.38Å; P117-R175 PolarHBondContact O-NE 2.96Å; P117-R175 PolarHBondContact O-NH2 2.86Å; Q120-R175 VanDerWaalsContact OE1-CZ 3.25Å; V142-R175 PolarHBondContact O-NH1 3.4Å; H145-R175 CarbonylContact C-O 3.58Å; H145-R175 VanDerWaalsContact CA-O 3.25Å; H145-R175 WeakPolarHBondContact CA-O 3.45Å; H145-R175 WeakPolarHBondContact CB-O 3.21Å; A146-R175 HydrophobicContact CB-CB 4.14Å; A146-R175 PolarHBondContact N-O 2.96Å; A146-R175 PolarHBondContact O-N 3.47Å; R175-N222 PolarHBondContact N-ND2 2.88Å; R175-N222 PolarHBondContact O-ND2 2.86Å |
| 176 | P | 88.1 | Confident | 91.9 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | S | Bend | cis | -61.3 | 170.4 | -2.2 | -21.2 | 34.4 | 0 | 0 | 0 | 113.4 | G174 P178 N222 T223 | G174-P176 CarbonylContact C-O 3.54Å; G174-P176 VanDerWaalsContact C-O 3.28Å; P176-P178 VanDerWaalsContact O-CD 3.3Å; P176-P178 WeakPolarHBondContact O-CD 3.36Å; P176-N222 PolarHBondContact O-ND2 2.84Å; P176-T223 WeakPolarHBondContact CD-OG1 3.34Å |
| 177 | L | 88.7 | Confident | 91.7 | Very high | 151 Ų | 151 | 66.2 Ų | 66.2 | 79% | 0.791 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 120.3 | 176.9 | 179.5 | 65.6 | 0 | 0 | 0 | 109.6 | ||
| 178 | P | 93.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 71.2 Ų | 71.2 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 134.9 | -174.7 | -24.1 | 35.5 | 0 | 0 | 0 | 113.8 | P148 V171 P176 A220 T221 N222 | P148-P178 HydrophobicContact CB-CB 3.89Å; P148-P178 HydrophobicContact CB-CG 3.66Å; P148-P178 HydrophobicContact CG-CB 3.85Å; P148-P178 HydrophobicContact CG-CG 3.78Å; V171-P178 HydrophobicContact CG1-CG 4Å; P176-P178 VanDerWaalsContact O-CD 3.3Å; P176-P178 WeakPolarHBondContact O-CD 3.36Å; P178-A220 HydrophobicContact CB-CB 4.02Å; P178-T221 CarbonylContact C-O 3.46Å; P178-T221 WeakPolarHBondContact CA-O 3.3Å; P178-N222 HydrophobicContact CB-CB 4.5Å; P178-N222 HydrophobicContact CG-CB 4.49Å |
| 179 | E | 93.4 | Very high | 91.1 | Very high | 157 Ų | 157 | 70.1 Ų | 70.1 | 73% | 0.734 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 139.3 | 166.6 | -66.6 | -172.9 | 174.1 | 0 | 0 | 109.7 | A220 T221 | E179-A220 CarbonylContact O-C 3.5Å; E179-A220 VanDerWaalsContact O-CA 3.29Å; E179-A220 WeakPolarHBondContact O-CA 3.15Å; E179-T221 PolarHBondContact N-O 2.03Å; E179-T221 PolarHBondContact O-N 3.48Å |
| 180 | R | 92.6 | Very high | 90.4 | Very high | 108 Ų | 108 | 73.7 Ų | 73.7 | 41% | 0.408 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.8 | -175.3 | -53.9 | 175.4 | -59.4 | -151.5 | -0.6 | 109.9 | V171 A199 D200 V219 | V171-R180 HydrophobicContact CG2-CG 4.03Å; R180-A199 PolarHBondContact NH1-O 2.86Å; R180-A199 PolarHBondContact NH2-O 3.03Å; R180-D200 PolarHBondContact NH1-O 2.81Å; R180-V219 WeakPolarHBondContact CA-O 3.48Å |
| 181 | H | 92.6 | Very high | 89.2 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 158.1 | 168.6 | 58.9 | -91.8 | 0 | 0 | 0 | 111.3 | V219 | H181-V219 PolarHBondContact N-O 3.04Å; H181-V219 WeakPolarHBondContact NE2-CB 3.43Å; H181-V219 PolarHBondContact O-N 3.37Å |
| 182 | W | 95.2 | Very high | 87.9 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 6% | 0.061 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139.3 | 179.5 | -78.5 | 90.6 | 0 | 0 | 0 | 111 | L167 C169 L189 I197 G201 L203 S217 C218 V231 | L167-W182 HydrophobicContact CB-CH2 3.61Å; L167-W182 HydrophobicContact CB-CZ2 4.21Å; L167-W182 HydrophobicContact CB-CZ3 4.17Å; L167-W182 WeakPolarHBondContact O-CZ2 3.39Å; C169-W182 HydrophobicContact CB-CH2 4.37Å; C169-W182 HydrophobicContact CB-CZ2 3.56Å; W182-L189 HydrophobicContact CB-CD1 3.73Å; W182-L189 HydrophobicContact CB-CG 4.13Å; W182-I197 HydrophobicContact CG-CD1 4.34Å; W182-G201 PolarHBondContact NE1-O 2.96Å; W182-L203 HydrophobicContact CB-CD2 4.36Å; W182-L203 HydrophobicContact CD2-CB 3.72Å; W182-L203 HydrophobicContact CD2-CD2 3.96Å; W182-L203 HydrophobicContact CD2-CG 4.49Å; W182-L203 VanDerWaalsContact CE2-CB 3.47Å; W182-L203 HydrophobicContact CE3-CB 4.29Å; W182-L203 HydrophobicContact CE3-CD2 3.97Å; W182-L203 HydrophobicContact CG-CB 4.02Å; W182-L203 HydrophobicContact CG-CD2 4.18Å; W182-L203 HydrophobicContact CH2-CB 4.38Å; W182-L203 HydrophobicContact CZ2-CB 3.81Å; W182-S217 WeakPolarHBondContact CA-O 3.37Å; W182-C218 HydrophobicContact CD2-CB 3.87Å; W182-C218 HydrophobicContact CE3-CB 3.9Å; W182-C218 HydrophobicContact CH2-CB 3.81Å; W182-C218 HydrophobicContact CZ2-CB 3.78Å; W182-C218 HydrophobicContact CZ3-CB 3.86Å; W182-V231 HydrophobicContact CH2-CG1 4.35Å; W182-V231 HydrophobicContact CZ3-CG1 4.09Å |
| 183 | L | 94.9 | Very high | 86.5 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 18% | 0.183 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.1 | 170.2 | -51.3 | 176.6 | 0 | 0 | 0 | 109.1 | R187 P188 Y216 S217 V219 | L183-R187 CarbonylContact C-O 3.56Å; L183-R187 WeakPolarHBondContact CA-O 3.32Å; L183-R187 WeakPolarHBondContact CB-O 3.47Å; L183-P188 HydrophobicContact CD2-CG 4.27Å; L183-Y216 CarbonylContact O-C 3.58Å; L183-Y216 VanDerWaalsContact O-CA 3.32Å; L183-Y216 WeakPolarHBondContact O-CA 3.46Å; L183-S217 PolarHBondContact N-O 2.81Å; L183-S217 PolarHBondContact O-N 3.09Å; L183-V219 HydrophobicContact CD1-CG2 3.91Å; L183-V219 HydrophobicContact CG-CG2 4.18Å |
| 184 | K | 94.1 | Very high | 86.1 | Confident | 39 Ų | 39 | 79.1 Ų | 79.1 | 17% | 0.17 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.7 | 162.8 | -173.3 | -173 | -169.7 | -70.8 | 0 | 108.2 | G186 R187 L189 A213 R215 Y216 | K184-G186 PolarHBondContact O-N 3.38Å; K184-G186 VanDerWaalsContact O-N 3.09Å; K184-R187 PolarHBondContact N-O 3.08Å; K184-R187 PolarHBondContact O-N 2.86Å; K184-L189 HydrophobicContact CB-CD2 3.7Å; K184-A213 VanDerWaalsContact CE-O 3.3Å; K184-A213 WeakPolarHBondContact CE-O 3.34Å; K184-A213 PolarHBondContact NZ-O 2.73Å; K184-R215 WeakPolarHBondContact CA-O 3.46Å; K184-Y216 HydrophobicContact CB-CD1 4.02Å; K184-Y216 HydrophobicContact CB-CE1 3.81Å; K184-Y216 HydrophobicContact CD-CE1 3.97Å; K184-Y216 HydrophobicContact CD-CE2 4.25Å; K184-Y216 WeakPolarHBondContact CD-OH 3.28Å; K184-Y216 VanDerWaalsContact CE-OH 3.32Å; K184-Y216 WeakPolarHBondContact CE-OH 3.43Å; K184-Y216 HydrophobicContact CG-CD1 4.22Å; K184-Y216 HydrophobicContact CG-CE1 3.81Å; K184-Y216 HydrophobicContact CG-CE2 4.13Å |
| 185 | D | 91.6 | Very high | 86.1 | Confident | 85 Ų | 85 | 81 Ų | 81 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 36.7 | 179.8 | -51.9 | -48.3 | 0 | 0 | 0 | 113.1 | R215 | D185-R215 PolarHBondContact N-O 2.68Å; D185-R215 PolarHBondContact OD1-N 3.33Å |
| 186 | G | 91.6 | Very high | 86.5 | Confident | 50 Ų | 50 | 80.5 Ų | 80.5 | 52% | 0.515 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 5.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K184 | K184-G186 PolarHBondContact O-N 3.38Å; K184-G186 VanDerWaalsContact O-N 3.09Å |
| 187 | R | 92.7 | Very high | 86.6 | Confident | 192 Ų | 192 | 81.9 Ų | 81.9 | 73% | 0.725 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.6 | 180 | -60.4 | -176.5 | -179.6 | -164.7 | -1.3 | 111.7 | L183 K184 | L183-R187 CarbonylContact C-O 3.56Å; L183-R187 WeakPolarHBondContact CA-O 3.32Å; L183-R187 WeakPolarHBondContact CB-O 3.47Å; K184-R187 PolarHBondContact N-O 3.08Å; K184-R187 PolarHBondContact O-N 2.86Å |
| 188 | P | 90.7 | Very high | 86.7 | Confident | 106 Ų | 106 | 80 Ų | 80 | 69% | 0.688 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 147 | 171.1 | -25 | 34.9 | 0 | 0 | 0 | 112.1 | L183 | L183-P188 HydrophobicContact CD2-CG 4.27Å |
| 189 | L | 86.9 | Confident | 86.3 | Confident | 31 Ų | 31 | 84.2 Ų | 84.2 | 16% | 0.162 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 133.6 | 179.5 | -62.5 | 179.3 | 0 | 0 | 0 | 111.4 | W182 K184 L203 Y216 | W182-L189 HydrophobicContact CB-CD1 3.73Å; W182-L189 HydrophobicContact CB-CG 4.13Å; K184-L189 HydrophobicContact CB-CD2 3.7Å; L189-L203 HydrophobicContact CD1-CD1 3.62Å; L189-L203 HydrophobicContact CD1-CD2 3.92Å; L189-L203 HydrophobicContact CD1-CG 4.43Å; L189-L203 HydrophobicContact CD2-CD2 4.44Å; L189-Y216 HydrophobicContact CD2-CD1 4.12Å; L189-Y216 HydrophobicContact CD2-CE1 3.8Å |
| 190 | P | 77.6 | Confident | 86 | Confident | 76 Ų | 76 | 80.5 Ų | 80.5 | 49% | 0.494 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 129.4 | -178 | 27.2 | -33.2 | 0 | 0 | 0 | 110.9 | S193 | P190-S193 PolarHBondContact O-N 2.81Å; P190-S193 PolarHBondContact O-OG 3.07Å |
| 191 | P | 67.1 | Low | 85.9 | Confident | 131 Ų | 131 | 75.4 Ų | 75.4 | 85% | 0.851 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 141.9 | -179.7 | 26.4 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 192 | G | 64.5 | Low | 85.9 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 86% | 0.856 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -5.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 193 | S | 62.3 | Low | 85.9 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -68.6 | 149.7 | 164.3 | 55 | 0 | 0 | 0 | 0 | 110.5 | P190 H195 | P190-S193 PolarHBondContact O-N 2.81Å; P190-S193 PolarHBondContact O-OG 3.07Å; S193-H195 PolarHBondContact O-N 3.25Å; S193-H195 PolarHBondContact O-ND1 2.75Å; S193-H195 PolarHBondContact OG-CE1 3.3Å; S193-H195 PolarHBondContact OG-ND1 3.45Å |
| 194 | R | 78.4 | Confident | 85.9 | Confident | 126 Ų | 126 | 70.3 Ų | 70.3 | 48% | 0.475 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -75.4 | 63.5 | -174.1 | -71.4 | -179.4 | -65.7 | -97 | -15.5 | 112.7 | E211 | R194-E211 IonicContact NH2-OE1 3.97Š|
| 195 | H | 88.1 | Confident | 85.9 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.8 | 175.7 | 76.7 | -92.8 | 0 | 0 | 0 | 110.9 | S193 L203 H204 L205 | S193-H195 PolarHBondContact O-N 3.25Å; S193-H195 PolarHBondContact O-ND1 2.75Å; S193-H195 PolarHBondContact OG-CE1 3.3Å; S193-H195 PolarHBondContact OG-ND1 3.45Å; H195-L203 HydrophobicContact CB-CD1 3.81Å; H195-H204 CarbonylContact C-O 3.49Å; H195-H204 WeakPolarHBondContact CA-O 3.44Å; H195-L205 HydrophobicContact CB-CD2 3.61Å |
| 196 | S | 90.9 | Very high | 85.9 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 36% | 0.357 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145.2 | 171.8 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | H204 | S196-H204 PolarHBondContact N-O 3.19Å; S196-H204 PolarHBondContact O-N 2.85Å |
| 197 | I | 91.1 | Very high | 86.1 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.4 | 170.2 | -54 | -52.7 | 0 | 0 | 0 | 107.7 | W182 L203 | W182-I197 HydrophobicContact CG-CD1 4.34Å; I197-L203 HydrophobicContact CD1-CB 4.13Å; I197-L203 HydrophobicContact CD1-CD1 3.65Å; I197-L203 HydrophobicContact CD1-CG 4.49Å |
| 198 | R | 90.3 | Very high | 86.2 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | trans | -76.2 | 161.2 | 176.8 | -69.5 | 176.8 | 173.7 | -157.9 | -1 | 110.7 | S166 D200 G201 S202 H204 | S166-R198 VanDerWaalsContact OG-CZ 3.31Å; R198-D200 WeakPolarHBondContact CB-OD1 3.49Å; R198-D200 PolarHBondContact O-N 3.25Å; R198-G201 WeakPolarHBondContact O-CA 3.49Å; R198-G201 PolarHBondContact O-N 3.03Å; R198-S202 PolarHBondContact N-O 2.77Å; R198-H204 HydrophobicContact CG-CB 4.09Å; R198-H204 PolarHBondContact NE-CD2 3.02Å; R198-H204 PolarHBondContact NH2-CD2 3.5Å; R198-H204 PolarHBondContact NH2-CE1 2.56Å; R198-H204 PolarHBondContact NH2-NE2 3.4Å | ||
| 199 | A | 86.7 | Confident | 86.4 | Confident | 99 Ų | 99 | 60 Ų | 60 | 82% | 0.818 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R180 G201 | R180-A199 PolarHBondContact NH1-O 2.86Å; R180-A199 PolarHBondContact NH2-O 3.03Å; A199-G201 PolarHBondContact O-N 2.87Å |
| 200 | D | 86.8 | Confident | 86.6 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 42% | 0.422 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -12.3 | 173.1 | 67.7 | -22.1 | 0 | 0 | 0 | 113.9 | R180 R198 S202 | R180-D200 PolarHBondContact NH1-O 2.81Å; R198-D200 WeakPolarHBondContact CB-OD1 3.49Å; R198-D200 PolarHBondContact O-N 3.25Å; D200-S202 WeakPolarHBondContact OD1-CB 3.37Å; D200-S202 PolarHBondContact OD1-N 2.64Å; D200-S202 PolarHBondContact OD1-OG 3.05Å; D200-S202 WeakPolarHBondContact OD2-CB 3.17Å; D200-S202 PolarHBondContact OD2-OG 3.15Å |
| 201 | G | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 97.7 | -2.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | W182 R198 A199 | W182-G201 PolarHBondContact NE1-O 2.96Å; R198-G201 WeakPolarHBondContact O-CA 3.49Å; R198-G201 PolarHBondContact O-N 3.03Å; A199-G201 PolarHBondContact O-N 2.87Å |
| 202 | S | 92.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 61.7 Ų | 61.7 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | trans | -70.8 | 132.3 | -178 | -63 | 0 | 0 | 0 | 0 | 111.7 | L167 P168 R198 D200 H204 | L167-S202 CarbonylContact O-C 3.56Å; L167-S202 VanDerWaalsContact O-CA 3.22Å; L167-S202 WeakPolarHBondContact O-CA 3.41Å; L167-S202 WeakPolarHBondContact O-CB 2.98Å; P168-S202 WeakPolarHBondContact CA-OG 3.06Å; R198-S202 PolarHBondContact N-O 2.77Å; D200-S202 WeakPolarHBondContact OD1-CB 3.37Å; D200-S202 PolarHBondContact OD1-N 2.64Å; D200-S202 PolarHBondContact OD1-OG 3.05Å; D200-S202 WeakPolarHBondContact OD2-CB 3.17Å; D200-S202 PolarHBondContact OD2-OG 3.15Å; S202-H204 PolarHBondContact O-N 3.05Å | ||
| 203 | L | 94.6 | Very high | 90 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 115 | 172.5 | 170.3 | 61.5 | 0 | 0 | 0 | 109.3 | S166 L167 W182 L189 H195 I197 Y216 | S166-L203 CarbonylContact C-O 3.6Å; S166-L203 WeakPolarHBondContact CA-O 3.4Å; L167-L203 HydrophobicContact CB-CB 4.42Å; L167-L203 HydrophobicContact CD1-CD2 4.37Å; L167-L203 PolarHBondContact N-O 3.21Å; L167-L203 PolarHBondContact O-N 3.12Å; W182-L203 HydrophobicContact CB-CD2 4.36Å; W182-L203 HydrophobicContact CD2-CB 3.72Å; W182-L203 HydrophobicContact CD2-CD2 3.96Å; W182-L203 HydrophobicContact CD2-CG 4.49Å; W182-L203 VanDerWaalsContact CE2-CB 3.47Å; W182-L203 HydrophobicContact CE3-CB 4.29Å; W182-L203 HydrophobicContact CE3-CD2 3.97Å; W182-L203 HydrophobicContact CG-CB 4.02Å; W182-L203 HydrophobicContact CG-CD2 4.18Å; W182-L203 HydrophobicContact CH2-CB 4.38Å; W182-L203 HydrophobicContact CZ2-CB 3.81Å; L189-L203 HydrophobicContact CD1-CD1 3.62Å; L189-L203 HydrophobicContact CD1-CD2 3.92Å; L189-L203 HydrophobicContact CD1-CG 4.43Å; L189-L203 HydrophobicContact CD2-CD2 4.44Å; H195-L203 HydrophobicContact CB-CD1 3.81Å; I197-L203 HydrophobicContact CD1-CB 4.13Å; I197-L203 HydrophobicContact CD1-CD1 3.65Å; I197-L203 HydrophobicContact CD1-CG 4.49Å; L203-Y216 HydrophobicContact CD2-CD1 3.35Å; L203-Y216 HydrophobicContact CD2-CE1 3.55Å; L203-Y216 HydrophobicContact CD2-CG 4.29Å |
| 204 | H | 94.9 | Very high | 91.5 | Very high | 26 Ų | 26 | 57.9 Ų | 57.9 | 12% | 0.12 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.1 | -179.5 | -174.4 | 29.8 | 0 | 0 | 0 | 111.1 | V165 S166 H195 S196 R198 S202 D206 | V165-H204 WeakPolarHBondContact O-CA 3.38Å; V165-H204 PolarHBondContact O-ND1 2.66Å; S166-H204 PolarHBondContact OG-ND1 3.48Å; H195-H204 CarbonylContact C-O 3.49Å; H195-H204 WeakPolarHBondContact CA-O 3.44Å; S196-H204 PolarHBondContact N-O 3.19Å; S196-H204 PolarHBondContact O-N 2.85Å; R198-H204 HydrophobicContact CG-CB 4.09Å; R198-H204 PolarHBondContact NE-CD2 3.02Å; R198-H204 PolarHBondContact NH2-CD2 3.5Å; R198-H204 PolarHBondContact NH2-CE1 2.56Å; R198-H204 PolarHBondContact NH2-NE2 3.4Å; S202-H204 PolarHBondContact O-N 3.05Å; H204-D206 IonicContact CD2-OD1 2.75Å; H204-D206 IonicContact NE2-OD1 3.25Å |
| 205 | L | 94.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.8 | 166.7 | -64 | 165.1 | 0 | 0 | 0 | 108.1 | P164 V165 H195 R207 H212 L233 | P164-L205 VanDerWaalsContact CA-O 3.31Å; P164-L205 WeakPolarHBondContact CA-O 3.36Å; V165-L205 HydrophobicContact CG1-CB 3.85Å; V165-L205 HydrophobicContact CG1-CD1 3.87Å; V165-L205 HydrophobicContact CG1-CG 4.33Å; V165-L205 PolarHBondContact N-O 3.16Å; V165-L205 PolarHBondContact O-N 3.09Å; H195-L205 HydrophobicContact CB-CD2 3.61Å; L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 2.85Å; L205-H212 HydrophobicContact CD1-CB 3.94Å; L205-L233 HydrophobicContact CD1-CD2 3.63Å |
| 206 | D | 92.9 | Very high | 92.8 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 47% | 0.465 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -68.3 | -31.4 | 178.7 | -53.9 | -44.9 | 0 | 0 | 0 | 111.7 | P164 H204 | P164-D206 WeakPolarHBondContact CA-O 3.3Å; P164-D206 WeakPolarHBondContact CB-O 3.31Å; H204-D206 IonicContact CD2-OD1 2.75Å; H204-D206 IonicContact NE2-OD1 3.25Å |
| 207 | R | 94.4 | Very high | 93.1 | Very high | 133 Ų | 133 | 53.4 Ų | 53.4 | 50% | 0.502 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -143 | 111.9 | 178.4 | -63.5 | -178 | 62.4 | -161.8 | -5.8 | 109.4 | L205 H212 | L205-R207 VanDerWaalsContact C-N 3.26Å; L205-R207 PolarHBondContact O-N 2.85Å; R207-H212 PolarHBondContact O-CE1 3.46Å; R207-H212 VanDerWaalsContact O-CE1 3.24Å; R207-H212 PolarHBondContact O-ND1 3.39Å; R207-H212 VanDerWaalsContact O-ND1 3.08Å |
| 208 | A | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -64 | 137 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V159 G162 Q163 V165 V235 | V159-A208 HydrophobicContact CB-CB 4.49Å; V159-A208 HydrophobicContact CG1-CB 3.5Å; V159-A208 HydrophobicContact CG2-CB 4.14Å; G162-A208 PolarHBondContact N-O 3.45Å; Q163-A208 WeakPolarHBondContact O-CB 3.1Å; Q163-A208 PolarHBondContact O-N 2.93Å; V165-A208 HydrophobicContact CG1-CB 4.39Å; A208-V235 HydrophobicContact CB-CG1 4.01Å; A208-V235 HydrophobicContact CB-CG2 3.97Å | ||
| 209 | L | 94.4 | Very high | 93.6 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | trans | -139.4 | 158.5 | 177.3 | -68.6 | 178 | 0 | 0 | 0 | 108 | E161 E211 H212 V235 | E161-L209 HydrophobicContact CG-CD2 4.16Å; L209-E211 HydrophobicContact CB-CG 3.93Å; L209-E211 WeakPolarHBondContact CD1-OE1 3.41Å; L209-E211 PolarHBondContact O-N 3.34Å; L209-E211 VanDerWaalsContact O-N 3.1Å; L209-H212 PolarHBondContact N-ND1 3.4Å; L209-H212 WeakPolarHBondContact O-CA 3.2Å; L209-H212 WeakPolarHBondContact O-CB 3.44Å; L209-H212 PolarHBondContact O-N 2.81Å; L209-V235 WeakPolarHBondContact O-CG2 3.48Å | ||
| 210 | Q | 93.1 | Very high | 94 | Very high | 128 Ų | 128 | 39.9 Ų | 39.9 | 60% | 0.598 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -52.8 | -35.2 | -179.8 | -163 | 177.7 | 29.9 | 0 | 0 | 113.7 | E161 H212 A213 | E161-Q210 PolarHBondContact OE1-N 3.4Å; E161-Q210 VanDerWaalsContact OE1-N 3.12Å; Q210-H212 VanDerWaalsContact C-N 3.25Å; Q210-H212 PolarHBondContact O-N 3.18Å; Q210-A213 WeakPolarHBondContact O-CB 3.41Å; Q210-A213 PolarHBondContact O-N 2.77Å; Q210-A213 VanDerWaalsContact O-N 3.13Å |
| 211 | E | 91.7 | Very high | 94.5 | Very high | 131 Ų | 131 | 38.4 Ų | 38.4 | 61% | 0.612 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -64.1 | -23.2 | 174.6 | 65.3 | -173.8 | 174.8 | 0 | 0 | 114.5 | R194 L209 A213 | R194-E211 IonicContact NH2-OE1 3.97Å; L209-E211 HydrophobicContact CB-CG 3.93Å; L209-E211 WeakPolarHBondContact CD1-OE1 3.41Å; L209-E211 PolarHBondContact O-N 3.34Å; L209-E211 VanDerWaalsContact O-N 3.1Å; E211-A213 VanDerWaalsContact C-N 3.33Å |
| 212 | H | 93 | Very high | 94.7 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -84 | -4.5 | 175.5 | -59 | 158.7 | 0 | 0 | 0 | 112.8 | L205 R207 L209 Q210 Y216 L233 | L205-H212 HydrophobicContact CD1-CB 3.94Å; R207-H212 PolarHBondContact O-CE1 3.46Å; R207-H212 VanDerWaalsContact O-CE1 3.24Å; R207-H212 PolarHBondContact O-ND1 3.39Å; R207-H212 VanDerWaalsContact O-ND1 3.08Å; L209-H212 PolarHBondContact N-ND1 3.4Å; L209-H212 WeakPolarHBondContact O-CA 3.2Å; L209-H212 WeakPolarHBondContact O-CB 3.44Å; L209-H212 PolarHBondContact O-N 2.81Å; Q210-H212 VanDerWaalsContact C-N 3.25Å; Q210-H212 PolarHBondContact O-N 3.18Å; H212-Y216 VanDerWaalsContact O-CE2 3.29Å; H212-Y216 WeakPolarHBondContact O-CE2 3.49Å; H212-Y216 PolarHBondContact O-OH 2.83Å; H212-Y216 VanDerWaalsContact O-OH 3.05Å; H212-L233 WeakPolarHBondContact O-CD2 3.38Å |
| 213 | A | 94.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 44 Ų | 44 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | trans | -71.4 | 154.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K184 Q210 E211 L233 V235 | K184-A213 VanDerWaalsContact CE-O 3.3Å; K184-A213 WeakPolarHBondContact CE-O 3.34Å; K184-A213 PolarHBondContact NZ-O 2.73Å; Q210-A213 WeakPolarHBondContact O-CB 3.41Å; Q210-A213 PolarHBondContact O-N 2.77Å; Q210-A213 VanDerWaalsContact O-N 3.13Å; E211-A213 VanDerWaalsContact C-N 3.33Å; A213-L233 VanDerWaalsContact CA-O 3.24Å; A213-L233 WeakPolarHBondContact CA-O 3.46Å; A213-V235 HydrophobicContact CB-CB 4.45Å; A213-V235 HydrophobicContact CB-CG2 4.27Å | ||
| 214 | G | 95 | Very high | 94.5 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 126 | -167.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E232 L233 | G214-E232 WeakPolarHBondContact CA-OE1 3.2Å; G214-L233 PolarHBondContact N-O 3.35Å; G214-L233 PolarHBondContact O-N 2.97Å |
| 215 | R | 96.4 | Very high | 94.4 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.5 | -171 | -171.7 | 167.3 | 58.2 | 134.9 | -6.1 | 111.4 | K184 D185 D230 E232 | K184-R215 WeakPolarHBondContact CA-O 3.46Å; D185-R215 PolarHBondContact N-O 2.68Å; D185-R215 PolarHBondContact OD1-N 3.33Å; R215-D230 WeakPolarHBondContact CD-OD2 3.49Å; R215-D230 HydrophobicContact CG-CB 4.38Å; R215-D230 IonicContact CZ-OD2 2.68Å; R215-D230 IonicContact NE-OD2 3.64Å; R215-D230 IonicContact NH1-OD2 3.96Å; R215-D230 PolarHBondContact NH1-OD2 3.1Å; R215-E232 WeakPolarHBondContact CA-OE2 3.27Å; R215-E232 WeakPolarHBondContact CB-OE2 3.38Å |
| 216 | Y | 96.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.8 | 172.9 | -71 | -97.1 | 0 | 0 | 0 | 110.3 | L167 L183 K184 L189 L203 H212 D230 V231 L233 | L167-Y216 HydrophobicContact CD1-CD1 4.27Å; L167-Y216 HydrophobicContact CD1-CD2 3.8Å; L167-Y216 HydrophobicContact CD1-CE2 4.44Å; L167-Y216 HydrophobicContact CD1-CG 3.7Å; L183-Y216 CarbonylContact O-C 3.58Å; L183-Y216 VanDerWaalsContact O-CA 3.32Å; L183-Y216 WeakPolarHBondContact O-CA 3.46Å; K184-Y216 HydrophobicContact CB-CD1 4.02Å; K184-Y216 HydrophobicContact CB-CE1 3.81Å; K184-Y216 HydrophobicContact CD-CE1 3.97Å; K184-Y216 HydrophobicContact CD-CE2 4.25Å; K184-Y216 WeakPolarHBondContact CD-OH 3.28Å; K184-Y216 VanDerWaalsContact CE-OH 3.32Å; K184-Y216 WeakPolarHBondContact CE-OH 3.43Å; K184-Y216 HydrophobicContact CG-CD1 4.22Å; K184-Y216 HydrophobicContact CG-CE1 3.81Å; K184-Y216 HydrophobicContact CG-CE2 4.13Å; L189-Y216 HydrophobicContact CD2-CD1 4.12Å; L189-Y216 HydrophobicContact CD2-CE1 3.8Å; L203-Y216 HydrophobicContact CD2-CD1 3.35Å; L203-Y216 HydrophobicContact CD2-CE1 3.55Å; L203-Y216 HydrophobicContact CD2-CG 4.29Å; H212-Y216 VanDerWaalsContact O-CE2 3.29Å; H212-Y216 WeakPolarHBondContact O-CE2 3.49Å; H212-Y216 PolarHBondContact O-OH 2.83Å; H212-Y216 VanDerWaalsContact O-OH 3.05Å; Y216-D230 CarbonylContact O-C 3.55Å; Y216-D230 WeakPolarHBondContact O-CA 3.34Å; Y216-V231 PolarHBondContact N-O 3.12Å; Y216-V231 PolarHBondContact O-N 3.32Å; Y216-L233 HydrophobicContact CD2-CB 3.84Å; Y216-L233 HydrophobicContact CD2-CD2 4.46Å; Y216-L233 HydrophobicContact CE2-CB 3.81Å; Y216-L233 HydrophobicContact CE2-CD2 3.84Å; Y216-L233 HydrophobicContact CE2-CG 4.42Å |
| 217 | S | 96.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.6 | 174.9 | -54.7 | 0 | 0 | 0 | 0 | 108.8 | W182 L183 R229 D230 | W182-S217 WeakPolarHBondContact CA-O 3.37Å; L183-S217 PolarHBondContact N-O 2.81Å; L183-S217 PolarHBondContact O-N 3.09Å; S217-R229 WeakPolarHBondContact CA-O 2.97Å; S217-D230 VanDerWaalsContact CB-OD1 3.27Å; S217-D230 WeakPolarHBondContact CB-OD1 3.14Å; S217-D230 PolarHBondContact OG-OD1 2.84Å |
| 218 | C | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.8 | 161.8 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | C169 W182 H228 R229 | C169-C218 HydrophobicContact CB-CB 3.56Å; C169-C218 WeakPolarHBondContact CB-SG 3.45Å; C169-C218 WeakPolarHBondContact SG-CB 3.28Å; C169-C218 CovalentContact SG-SG 2.02Å; C169-C218 PolarHBondContact SG-SG 3Å; W182-C218 HydrophobicContact CD2-CB 3.87Å; W182-C218 HydrophobicContact CE3-CB 3.9Å; W182-C218 HydrophobicContact CH2-CB 3.81Å; W182-C218 HydrophobicContact CZ2-CB 3.78Å; W182-C218 HydrophobicContact CZ3-CB 3.86Å; C218-H228 CarbonylContact O-C 3.58Å; C218-H228 WeakPolarHBondContact O-CA 3.42Å; C218-H228 WeakPolarHBondContact O-CB 3.35Å; C218-R229 PolarHBondContact N-O 2.97Å; C218-R229 PolarHBondContact O-N 3.48Å |
| 219 | V | 96.1 | Very high | 94.6 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.5 | 177.8 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | R180 H181 L183 S226 H228 | R180-V219 WeakPolarHBondContact CA-O 3.48Å; H181-V219 PolarHBondContact N-O 3.04Å; H181-V219 WeakPolarHBondContact NE2-CB 3.43Å; H181-V219 PolarHBondContact O-N 3.37Å; L183-V219 HydrophobicContact CD1-CG2 3.91Å; L183-V219 HydrophobicContact CG-CG2 4.18Å; V219-S226 WeakPolarHBondContact CG1-OG 3.35Å; V219-H228 HydrophobicContact CG2-CB 4.07Å |
| 220 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P148 I150 V171 P178 E179 S226 Q227 | P148-A220 HydrophobicContact CB-CB 3.79Å; P148-A220 WeakPolarHBondContact CG-O 3.32Å; I150-A220 HydrophobicContact CD1-CB 3.69Å; I150-A220 HydrophobicContact CG1-CB 3.85Å; V171-A220 HydrophobicContact CG2-CB 4.12Å; P178-A220 HydrophobicContact CB-CB 4.02Å; E179-A220 CarbonylContact O-C 3.5Å; E179-A220 VanDerWaalsContact O-CA 3.29Å; E179-A220 WeakPolarHBondContact O-CA 3.15Å; A220-S226 WeakPolarHBondContact O-CA 3.45Å; A220-S226 PolarHBondContact O-OG 3.32Å; A220-Q227 PolarHBondContact N-O 2.92Å; A220-Q227 PolarHBondContact O-N 2.84Å |
| 221 | T | 96.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 141.6 | -173.7 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | P178 E179 G225 S226 | P178-T221 CarbonylContact C-O 3.46Å; P178-T221 WeakPolarHBondContact CA-O 3.3Å; E179-T221 PolarHBondContact N-O 2.03Å; E179-T221 PolarHBondContact O-N 3.48Å; T221-G225 WeakPolarHBondContact CA-O 3.42Å; T221-S226 WeakPolarHBondContact OG1-CB 3.46Å; T221-S226 PolarHBondContact OG1-OG 3.41Å |
| 222 | N | 94.5 | Very high | 95.1 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | -174.4 | 168.5 | 70.9 | 10.3 | 0 | 0 | 0 | 110.6 | A146 P148 R175 P176 P178 A224 G225 | A146-N222 PolarHBondContact O-ND2 2.84Å; P148-N222 HydrophobicContact CG-CB 4.48Å; R175-N222 PolarHBondContact N-ND2 2.88Å; R175-N222 PolarHBondContact O-ND2 2.86Å; P176-N222 PolarHBondContact O-ND2 2.84Å; P178-N222 HydrophobicContact CB-CB 4.5Å; P178-N222 HydrophobicContact CG-CB 4.49Å; N222-A224 PolarHBondContact O-N 2.91Å; N222-A224 WeakPolarHBondContact OD1-CA 3.24Å; N222-A224 WeakPolarHBondContact OD1-CB 3.44Å; N222-A224 PolarHBondContact OD1-N 2.81Å; N222-G225 PolarHBondContact N-O 2.75Å; N222-G225 PolarHBondContact O-N 3.01Å; N222-G225 VanDerWaalsContact O-N 3.08Å; N222-G225 VanDerWaalsContact O-O 3.09Å; N222-G225 PolarHBondContact OD1-N 2.92Å; N222-G225 PolarHBondContact OD1-O 3.13Å |
| 223 | T | 93.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 43.1 Ų | 43.1 | 62% | 0.62 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.9 | -179.5 | 56.4 | 0 | 0 | 0 | 0 | 115 | P176 | P176-T223 WeakPolarHBondContact CD-OG1 3.34Š|
| 224 | A | 88.9 | Confident | 95.4 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | H145 A146 P147 N222 | H145-A224 HydrophobicContact CB-CB 3.61Å; A146-A224 VanDerWaalsContact C-CB 3.47Å; P147-A224 HydrophobicContact CB-CB 4.32Å; N222-A224 PolarHBondContact O-N 2.91Å; N222-A224 WeakPolarHBondContact OD1-CA 3.24Å; N222-A224 WeakPolarHBondContact OD1-CB 3.44Å; N222-A224 PolarHBondContact OD1-N 2.81Å |
| 225 | G | 92.7 | Very high | 95.5 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.9 | -170.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P148 T221 N222 | P148-G225 VanDerWaalsContact CD-O 3.29Å; P148-G225 WeakPolarHBondContact CD-O 3.23Å; P148-G225 WeakPolarHBondContact CG-O 3.31Å; T221-G225 WeakPolarHBondContact CA-O 3.42Å; N222-G225 PolarHBondContact N-O 2.75Å; N222-G225 PolarHBondContact O-N 3.01Å; N222-G225 VanDerWaalsContact O-N 3.08Å; N222-G225 VanDerWaalsContact O-O 3.09Å; N222-G225 PolarHBondContact OD1-N 2.92Å; N222-G225 PolarHBondContact OD1-O 3.13Å |
| 226 | S | 95.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 51% | 0.51 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.8 | -179.3 | -168.7 | 0 | 0 | 0 | 0 | 110.6 | V219 A220 T221 | V219-S226 WeakPolarHBondContact CG1-OG 3.35Å; A220-S226 WeakPolarHBondContact O-CA 3.45Å; A220-S226 PolarHBondContact O-OG 3.32Å; T221-S226 WeakPolarHBondContact OG1-CB 3.46Å; T221-S226 PolarHBondContact OG1-OG 3.41Å |
| 227 | Q | 96.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.3 | 174.2 | -179.9 | 58.4 | 63 | 0 | 0 | 108.8 | P148 I150 A220 | P148-Q227 HydrophobicContact CB-CB 4.28Å; P148-Q227 WeakPolarHBondContact O-CB 3.32Å; I150-Q227 HydrophobicContact CD1-CB 4.49Å; I150-Q227 HydrophobicContact CD1-CG 4.32Å; I150-Q227 WeakPolarHBondContact CD1-O 3.41Å; I150-Q227 HydrophobicContact CG1-CG 4.25Å; A220-Q227 PolarHBondContact N-O 2.92Å; A220-Q227 PolarHBondContact O-N 2.84Å |
| 228 | H | 95.4 | Very high | 95.7 | Very high | 103 Ų | 103 | 41.7 Ų | 41.7 | 48% | 0.477 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 162.3 | 174.6 | 64 | -86.2 | 0 | 0 | 0 | 113.1 | C218 V219 D230 | C218-H228 CarbonylContact O-C 3.58Å; C218-H228 WeakPolarHBondContact O-CA 3.42Å; C218-H228 WeakPolarHBondContact O-CB 3.35Å; V219-H228 HydrophobicContact CG2-CB 4.07Å; H228-D230 IonicContact CD2-OD1 3.33Å |
| 229 | R | 95.1 | Very high | 95.7 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 126.8 | 168 | -70.1 | -69.1 | 175.7 | -119.5 | 1.5 | 109.4 | I150 S217 C218 | I150-R229 HydrophobicContact CB-CG 3.73Å; I150-R229 HydrophobicContact CD1-CG 4.36Å; I150-R229 HydrophobicContact CG2-CB 4.28Å; I150-R229 HydrophobicContact CG2-CG 3.6Å; I150-R229 PolarHBondContact O-NE 2.78Å; I150-R229 PolarHBondContact O-NH2 3.24Å; S217-R229 WeakPolarHBondContact CA-O 2.97Å; C218-R229 PolarHBondContact N-O 2.97Å; C218-R229 PolarHBondContact O-N 3.48Å |
| 230 | D | 95.6 | Very high | 95.8 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 29% | 0.289 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 144 | 176 | -73.7 | 7.2 | 0 | 0 | 0 | 110.8 | R215 Y216 S217 H228 | R215-D230 WeakPolarHBondContact CD-OD2 3.49Å; R215-D230 HydrophobicContact CG-CB 4.38Å; R215-D230 IonicContact CZ-OD2 2.68Å; R215-D230 IonicContact NE-OD2 3.64Å; R215-D230 IonicContact NH1-OD2 3.96Å; R215-D230 PolarHBondContact NH1-OD2 3.1Å; Y216-D230 CarbonylContact O-C 3.55Å; Y216-D230 WeakPolarHBondContact O-CA 3.34Å; S217-D230 VanDerWaalsContact CB-OD1 3.27Å; S217-D230 WeakPolarHBondContact CB-OD1 3.14Å; S217-D230 PolarHBondContact OG-OD1 2.84Å; H228-D230 IonicContact CD2-OD1 3.33Å |
| 231 | V | 96.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 127.5 | 171.5 | 53.6 | 0 | 0 | 0 | 0 | 109.7 | A154 V157 L167 W182 Y216 | A154-V231 WeakPolarHBondContact O-CG2 3.49Å; V157-V231 HydrophobicContact CB-CG2 4.31Å; V157-V231 HydrophobicContact CG2-CG2 3.71Å; L167-V231 HydrophobicContact CB-CG1 4.32Å; L167-V231 HydrophobicContact CD1-CG1 4.1Å; L167-V231 HydrophobicContact CD2-CG1 4.4Å; L167-V231 HydrophobicContact CD2-CG2 4.22Å; W182-V231 HydrophobicContact CH2-CG1 4.35Å; W182-V231 HydrophobicContact CZ3-CG1 4.09Å; Y216-V231 PolarHBondContact N-O 3.12Å; Y216-V231 PolarHBondContact O-N 3.32Å |
| 232 | E | 96.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.6 | 176.6 | -171.9 | 62.5 | -153 | 0 | 0 | 110 | P155 T156 V157 G214 R215 V234 | P155-E232 PolarHBondContact O-N 3.36Å; T156-E232 CarbonylContact C-O 3.6Å; T156-E232 VanDerWaalsContact CA-O 3.3Å; T156-E232 WeakPolarHBondContact CA-O 3.38Å; T156-E232 HydrophobicContact CG2-CB 4.21Å; T156-E232 HydrophobicContact CG2-CG 4.48Å; V157-E232 PolarHBondContact N-O 2.82Å; G214-E232 WeakPolarHBondContact CA-OE1 3.2Å; R215-E232 WeakPolarHBondContact CA-OE2 3.27Å; R215-E232 WeakPolarHBondContact CB-OE2 3.38Å; E232-V234 HydrophobicContact CG-CG2 4.09Å |
| 233 | L | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 108.7 | 174.9 | 179.3 | 54.7 | 0 | 0 | 0 | 110.1 | V157 V159 V165 L167 L205 H212 A213 G214 Y216 V235 | V157-L233 HydrophobicContact CB-CD1 4.4Å; V157-L233 HydrophobicContact CG1-CD1 4.19Å; V159-L233 HydrophobicContact CG1-CD1 3.77Å; V165-L233 HydrophobicContact CG1-CD1 4.42Å; V165-L233 HydrophobicContact CG1-CD2 4.3Å; V165-L233 HydrophobicContact CG2-CD1 4.27Å; L167-L233 HydrophobicContact CD1-CB 4.46Å; L167-L233 HydrophobicContact CD1-CD2 4.38Å; L167-L233 HydrophobicContact CD2-CD1 4.46Å; L205-L233 HydrophobicContact CD1-CD2 3.63Å; H212-L233 WeakPolarHBondContact O-CD2 3.38Å; A213-L233 VanDerWaalsContact CA-O 3.24Å; A213-L233 WeakPolarHBondContact CA-O 3.46Å; G214-L233 PolarHBondContact N-O 3.35Å; G214-L233 PolarHBondContact O-N 2.97Å; Y216-L233 HydrophobicContact CD2-CB 3.84Å; Y216-L233 HydrophobicContact CD2-CD2 4.46Å; Y216-L233 HydrophobicContact CE2-CB 3.81Å; Y216-L233 HydrophobicContact CE2-CD2 3.84Å; Y216-L233 HydrophobicContact CE2-CG 4.42Å; L233-V235 HydrophobicContact CG-CG2 4.24Å |
| 234 | V | 97.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 22% | 0.218 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 103 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | T156 V157 R158 V159 E232 Q236 | T156-V234 HydrophobicContact CG2-CB 4.46Å; T156-V234 HydrophobicContact CG2-CG2 3.7Å; V157-V234 PolarHBondContact O-N 3.37Å; R158-V234 WeakPolarHBondContact CA-O 3.36Å; R158-V234 HydrophobicContact CG-CB 4.21Å; V159-V234 PolarHBondContact N-O 2.8Å; V159-V234 VanDerWaalsContact N-O 3.14Å; E232-V234 HydrophobicContact CG-CG2 4.09Å; V234-Q236 HydrophobicContact CG1-CG 4.18Å; V234-Q236 PolarHBondContact O-N 2.78Å |
| 235 | V | 97.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117.9 | 171.2 | -173.2 | 0 | 0 | 0 | 0 | 109 | V159 E161 A208 L209 A213 L233 V265 | V159-V235 HydrophobicContact CG1-CG2 4.15Å; V159-V235 CarbonylContact O-C 3.56Å; V159-V235 WeakPolarHBondContact O-CA 3.43Å; E161-V235 HydrophobicContact CB-CG1 4Å; E161-V235 HydrophobicContact CG-CG1 4.47Å; A208-V235 HydrophobicContact CB-CG1 4.01Å; A208-V235 HydrophobicContact CB-CG2 3.97Å; L209-V235 WeakPolarHBondContact O-CG2 3.48Å; A213-V235 HydrophobicContact CB-CB 4.45Å; A213-V235 HydrophobicContact CB-CG2 4.27Å; L233-V235 HydrophobicContact CG-CG2 4.24Å; V235-V265 WeakPolarHBondContact O-CG1 3.47Å |
| 236 | Q | 97.8 | Very high | 95.6 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 137 | -175.5 | -62.2 | -166.7 | -84.6 | 0 | 0 | 110.8 | R158 V159 E161 V234 V265 T314 V315 | R158-Q236 HydrophobicContact CB-CG 4.5Å; V159-Q236 PolarHBondContact O-N 3.49Å; E161-Q236 PolarHBondContact N-O 3.49Å; V234-Q236 HydrophobicContact CG1-CG 4.18Å; V234-Q236 PolarHBondContact O-N 2.78Å; Q236-V265 CarbonylContact C-O 3.48Å; Q236-V265 VanDerWaalsContact CA-O 3.28Å; Q236-V265 WeakPolarHBondContact CA-O 3.44Å; Q236-T314 PolarHBondContact NE2-OG1 3.28Å; Q236-V315 HydrophobicContact CB-CG2 3.78Å; Q236-V315 HydrophobicContact CG-CG2 4.47Å |
| 237 | V | 97.5 | Very high | 95.7 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.9 | -176.7 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | E161 V265 N313 | E161-V237 HydrophobicContact CB-CG2 4.21Å; V237-V265 HydrophobicContact CB-CB 4.06Å; V237-V265 HydrophobicContact CB-CG2 4.15Å; V237-V265 HydrophobicContact CG2-CB 4.07Å; V237-V265 HydrophobicContact CG2-CG2 3.95Å; V237-V265 PolarHBondContact N-O 2.92Å; V237-V265 PolarHBondContact O-N 2.82Å; V237-N313 PolarHBondContact O-ND2 2.85Å |
| 238 | P | 96.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 159.4 | 177.5 | 30 | -35.2 | 0 | 0 | 0 | 111 | R240 V315 | P238-R240 PolarHBondContact O-N 2.69Å; P238-V315 HydrophobicContact CB-CG1 4.27Å |
| 239 | P | 97.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 137.6 | -178.7 | -22 | 36.4 | 0 | 0 | 0 | 111.4 | S263 P268 A311 N313 G316 S318 | P239-S263 CarbonylContact C-O 3.59Å; P239-S263 VanDerWaalsContact CA-O 3.31Å; P239-S263 WeakPolarHBondContact CA-O 3.45Å; P239-P268 HydrophobicContact CB-CB 3.93Å; P239-P268 HydrophobicContact CB-CG 4.44Å; P239-P268 HydrophobicContact CG-CB 4.07Å; P239-A311 HydrophobicContact CB-CB 3.78Å; P239-A311 WeakPolarHBondContact CB-O 3.46Å; P239-N313 WeakPolarHBondContact CD-OD1 3.36Å; P239-N313 HydrophobicContact CG-CB 4.07Å; P239-G316 WeakPolarHBondContact CD-O 3.35Å; P239-G316 WeakPolarHBondContact CG-O 3.35Å; P239-S318 WeakPolarHBondContact O-CB 3.3Å |
| 240 | R | 96.4 | Very high | 95.8 | Very high | 156 Ų | 156 | 51.5 Ų | 51.5 | 59% | 0.589 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 111.1 | 173.7 | -178.4 | 174.7 | 180 | -111.9 | -0.3 | 109.8 | P238 A262 S263 | P238-R240 PolarHBondContact O-N 2.69Å; R240-A262 CarbonylContact O-C 3.51Å; R240-A262 VanDerWaalsContact O-CA 3.23Å; R240-A262 WeakPolarHBondContact O-CA 3.18Å; R240-A262 WeakPolarHBondContact O-CB 3.44Å; R240-S263 PolarHBondContact N-O 2.93Å; R240-S263 PolarHBondContact O-N 2.9Å; R240-S263 PolarHBondContact O-OG 2.79Å |
| 241 | I | 96.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 136.4 | 170.9 | -63 | 164.6 | 0 | 0 | 0 | 108.6 | A262 A311 S318 Q320 | I241-A262 HydrophobicContact CG1-CB 4.03Å; I241-A311 HydrophobicContact CD1-CB 4.31Å; I241-A311 HydrophobicContact CG1-CB 3.87Å; I241-S318 WeakPolarHBondContact CD1-O 3.28Å; I241-Q320 HydrophobicContact CD1-CB 3.86Å; I241-Q320 HydrophobicContact CG2-CB 4.14Å |
| 242 | H | 95.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 54.9 Ų | 54.9 | 32% | 0.324 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 149 | 176.3 | -60.3 | 89 | 0 | 0 | 0 | 110.5 | T244 V261 S263 | H242-T244 PolarHBondContact O-N 2.84Å; H242-V261 PolarHBondContact N-O 3.04Å; H242-V261 PolarHBondContact ND1-O 3.02Å; H242-S263 PolarHBondContact CE1-N 2.9Å; H242-S263 PolarHBondContact CE1-OG 2.88Å; H242-S263 PolarHBondContact NE2-OG 2.93Å |
| 243 | P | 91.3 | Very high | 95.5 | Very high | 119 Ų | 119 | 53.8 Ų | 53.8 | 77% | 0.773 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 121.1 | 176.8 | -24.6 | 34.8 | 0 | 0 | 0 | 112.2 | ||
| 244 | T | 90.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.27 | 33% | 0.325 | S | S | . | . | trans | -130.1 | 170.1 | 174 | 53.6 | 0 | 0 | 0 | 0 | 110 | H242 T246 P259 | H242-T244 PolarHBondContact O-N 2.84Å; T244-T246 PolarHBondContact O-N 2.9Å; T244-P259 HydrophobicContact CG2-CB 4.44Å; T244-P259 HydrophobicContact CG2-CG 4.26Å; T244-P259 PolarHBondContact OG1-O 2.96Å | ||
| 245 | A | 92.2 | Very high | 95.3 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 49% | 0.488 | 34% | 0.338 | S | S | . | . | trans | -64.5 | 127.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | H248 M322 | A245-H248 PolarHBondContact O-CD2 2.78Å; A245-H248 PolarHBondContact O-NE2 2.59Å; A245-H248 VanDerWaalsContact O-NE2 3.09Å; A245-M322 WeakPolarHBondContact O-CE 3.32Å | ||
| 246 | T | 94.3 | Very high | 95.2 | Very high | 76 Ų | 76 | 59 Ų | 59 | 47% | 0.466 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -91.1 | -4.3 | -179.3 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | T244 M322 R323 | T244-T246 PolarHBondContact O-N 2.9Å; T246-M322 CarbonylContact O-C 3.54Å; T246-M322 WeakPolarHBondContact O-CA 3.34Å; T246-R323 PolarHBondContact O-N 3.39Å |
| 247 | H | 96.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 60.6 Ų | 60.6 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.1 | 171.8 | -175.9 | -132.2 | 0 | 0 | 0 | 110.3 | R323 S325 | H247-R323 WeakPolarHBondContact CA-O 3.44Å; H247-R323 PolarHBondContact CD2-O 2.6Å; H247-S325 PolarHBondContact NE2-OG 3.21Å |
| 248 | H | 96.4 | Very high | 95 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 18% | 0.181 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.4 | 179.6 | -73.5 | -101.4 | 0 | 0 | 0 | 109.9 | A245 S257 L258 P259 M322 R323 L324 S325 | A245-H248 PolarHBondContact O-CD2 2.78Å; A245-H248 PolarHBondContact O-NE2 2.59Å; A245-H248 VanDerWaalsContact O-NE2 3.09Å; H248-S257 PolarHBondContact CE1-O 2.83Å; H248-S257 PolarHBondContact ND1-O 3.27Å; H248-L258 HydrophobicContact CB-CD2 3.57Å; H248-L258 VanDerWaalsContact CG-CD2 3.4Å; H248-P259 VanDerWaalsContact CE1-CD 3.43Å; H248-P259 WeakPolarHBondContact CE1-CD 3.17Å; H248-M322 WeakPolarHBondContact NE2-CE 3.19Å; H248-R323 PolarHBondContact N-O 3.46Å; H248-L324 HydrophobicContact CB-CD1 4.1Å; H248-S325 PolarHBondContact O-N 2.97Å |
| 249 | I | 96.1 | Very high | 94.9 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 55% | 0.554 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.5 | 179.4 | -52 | 179.5 | 0 | 0 | 0 | 108.3 | S325 N327 | I249-S325 WeakPolarHBondContact CA-O 3.03Å; I249-N327 VanDerWaalsContact CG2-ND2 3.29Å; I249-N327 WeakPolarHBondContact CG2-ND2 3.45Å |
| 250 | T | 96.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 58 Ų | 58 | 9% | 0.092 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 171 | 170 | -164 | 0 | 0 | 0 | 0 | 110.5 | V254 A256 P299 L324 S325 V326 N327 | T250-V254 PolarHBondContact OG1-O 2.9Å; T250-A256 HydrophobicContact CG2-CB 4.04Å; T250-P299 HydrophobicContact CG2-CB 3.85Å; T250-P299 HydrophobicContact CG2-CG 4.05Å; T250-L324 HydrophobicContact CG2-CD1 4.25Å; T250-S325 PolarHBondContact N-O 3.28Å; T250-V326 HydrophobicContact CG2-CB 4.4Å; T250-V326 HydrophobicContact CG2-CG1 4.23Å; T250-V326 HydrophobicContact CG2-CG2 3.97Å; T250-N327 PolarHBondContact O-N 3.17Å; T250-N327 PolarHBondContact O-ND2 3.13Å |
| 251 | N | 95.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 153.5 | 169.6 | -67.8 | -6.8 | 0 | 0 | 0 | 110.8 | G253 V254 N327 | N251-G253 PolarHBondContact O-N 2.81Å; N251-V254 HydrophobicContact CB-CB 4.47Å; N251-V254 HydrophobicContact CB-CG2 4.06Å; N251-V254 WeakPolarHBondContact O-CB 3.42Å; N251-V254 PolarHBondContact O-N 2.88Å; N251-N327 CarbonylContact C-O 3.54Å; N251-N327 WeakPolarHBondContact OD1-CB 3.42Å; N251-N327 PolarHBondContact OD1-ND2 3.02Å |
| 252 | E | 94.6 | Very high | 94.7 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 122.8 | 176.9 | -170.9 | 175.9 | -162.6 | 0 | 0 | 110.9 | V254 P299 V326 N327 T328 R331 | E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 2.88Å; E252-P299 WeakPolarHBondContact CA-O 3.4Å; E252-V326 HydrophobicContact CB-CG1 4.43Å; E252-N327 PolarHBondContact N-O 2.9Å; E252-T328 HydrophobicContact CB-CG2 4.22Å; E252-T328 HydrophobicContact CG-CG2 4.33Å; E252-R331 IonicContact OE1-NH2 3.42Å; E252-R331 PolarHBondContact OE1-NH2 3.11Å; E252-R331 IonicContact OE2-NH2 2.7Å; E252-R331 PolarHBondContact OE2-NH2 3.33Å |
| 253 | G | 92.3 | Very high | 94.7 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -8.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | N251 P299 | N251-G253 PolarHBondContact O-N 2.81Å; G253-P299 PolarHBondContact N-O 2.02Å |
| 254 | V | 94.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 47.7 Ų | 47.7 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -91.3 | 118.1 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | T250 N251 E252 A256 P299 | T250-V254 PolarHBondContact OG1-O 2.9Å; N251-V254 HydrophobicContact CB-CB 4.47Å; N251-V254 HydrophobicContact CB-CG2 4.06Å; N251-V254 WeakPolarHBondContact O-CB 3.42Å; N251-V254 PolarHBondContact O-N 2.88Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 2.88Å; V254-A256 PolarHBondContact O-N 2.89Å; V254-P299 WeakPolarHBondContact O-CD 3.15Å; V254-P299 VanDerWaalsContact O-CG 3.26Å; V254-P299 WeakPolarHBondContact O-CG 3.41Å |
| 255 | A | 94.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | trans | -52 | 131 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I296 | A255-I296 WeakPolarHBondContact CA-O 3.2Š| ||
| 256 | A | 95.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 146.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T250 V254 L295 I296 P299 L324 | T250-A256 HydrophobicContact CG2-CB 4.04Å; V254-A256 PolarHBondContact O-N 2.89Å; A256-L295 WeakPolarHBondContact O-CA 3.38Å; A256-I296 HydrophobicContact CB-CB 4.42Å; A256-I296 HydrophobicContact CB-CD1 4.5Å; A256-I296 PolarHBondContact N-O 3.49Å; A256-I296 PolarHBondContact O-N 2.87Å; A256-P299 HydrophobicContact CB-CG 3.8Å; A256-L324 HydrophobicContact CB-CD1 4.21Å; A256-L324 HydrophobicContact CB-CD2 4.31Å |
| 257 | S | 95.1 | Very high | 95.5 | Very high | 61 Ų | 61 | 47.3 Ų | 47.3 | 43% | 0.427 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 121.1 | -178.9 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | H248 T293 L294 | H248-S257 PolarHBondContact CE1-O 2.83Å; H248-S257 PolarHBondContact ND1-O 3.27Å; S257-T293 WeakPolarHBondContact OG-CG2 3.33Å; S257-L294 WeakPolarHBondContact CA-O 3.38Å |
| 258 | L | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 102.8 | 177.2 | -52.7 | -175.5 | 0 | 0 | 0 | 108.7 | H248 W272 T293 L294 Y307 | H248-L258 HydrophobicContact CB-CD2 3.57Å; H248-L258 VanDerWaalsContact CG-CD2 3.4Å; L258-W272 HydrophobicContact CB-CH2 3.5Å; L258-W272 VanDerWaalsContact CB-CH2 3.5Å; L258-W272 HydrophobicContact CB-CZ2 4.25Å; L258-W272 HydrophobicContact CB-CZ3 4.01Å; L258-W272 HydrophobicContact CD1-CH2 4.45Å; L258-W272 HydrophobicContact CD1-CZ3 4.1Å; L258-W272 WeakPolarHBondContact O-CH2 3.42Å; L258-W272 WeakPolarHBondContact O-CZ2 3.46Å; L258-T293 WeakPolarHBondContact O-CA 3.49Å; L258-L294 HydrophobicContact CB-CB 4.42Å; L258-L294 HydrophobicContact CD1-CD2 4.36Å; L258-L294 PolarHBondContact N-O 3.04Å; L258-L294 PolarHBondContact O-N 3.34Å; L258-Y307 HydrophobicContact CD1-CD1 4.18Å; L258-Y307 HydrophobicContact CD1-CD2 3.92Å; L258-Y307 HydrophobicContact CD1-CE2 4.49Å; L258-Y307 HydrophobicContact CD1-CG 3.75Å |
| 259 | P | 95.3 | Very high | 95.4 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 25% | 0.247 | 31% | 0.311 | C | S | . | . | trans | -81.1 | 124 | -175 | 30.7 | -33.6 | 0 | 0 | 0 | 112.3 | T244 H248 T293 M322 | T244-P259 HydrophobicContact CG2-CB 4.44Å; T244-P259 HydrophobicContact CG2-CG 4.26Å; T244-P259 PolarHBondContact OG1-O 2.96Å; H248-P259 VanDerWaalsContact CE1-CD 3.43Å; H248-P259 WeakPolarHBondContact CE1-CD 3.17Å; P259-T293 HydrophobicContact CB-CG2 4.5Å; P259-M322 HydrophobicContact CG-CE 4.47Å; P259-M322 WeakPolarHBondContact O-CE 3.44Å | ||
| 260 | C | 94.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -132.9 | 91 | 173 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | I270 W272 G292 C309 | C260-I270 HydrophobicContact CB-CG2 4.49Å; C260-W272 HydrophobicContact CB-CH2 3.95Å; C260-W272 HydrophobicContact CB-CZ2 3.4Å; C260-G292 CarbonylContact O-C 3.51Å; C260-G292 WeakPolarHBondContact O-CA 3.48Å; C260-C309 HydrophobicContact CB-CB 3.44Å; C260-C309 VanDerWaalsContact CB-CB 3.44Å; C260-C309 WeakPolarHBondContact CB-SG 3.48Å; C260-C309 WeakPolarHBondContact SG-CB 3.46Å; C260-C309 CovalentContact SG-SG 2.03Å; C260-C309 PolarHBondContact SG-SG 3.25Å | ||
| 261 | V | 94.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 38% | 0.376 | 31% | 0.308 | S | S | . | . | trans | -102.1 | 127.3 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | H242 | H242-V261 PolarHBondContact N-O 3.04Å; H242-V261 PolarHBondContact ND1-O 3.02Å | ||
| 262 | A | 96.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 43 Ų | 43 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | R240 I241 P268 I270 A311 | R240-A262 CarbonylContact O-C 3.51Å; R240-A262 VanDerWaalsContact O-CA 3.23Å; R240-A262 WeakPolarHBondContact O-CA 3.18Å; R240-A262 WeakPolarHBondContact O-CB 3.44Å; I241-A262 HydrophobicContact CG1-CB 4.03Å; A262-P268 HydrophobicContact CB-CG 3.87Å; A262-I270 HydrophobicContact CB-CD1 3.79Å; A262-A311 HydrophobicContact CB-CB 3.45Å; A262-A311 VanDerWaalsContact CB-CB 3.45Å |
| 263 | S | 95.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 158.8 | 169.1 | 44.8 | 0 | 0 | 0 | 0 | 110.8 | P239 R240 H242 | P239-S263 CarbonylContact C-O 3.59Å; P239-S263 VanDerWaalsContact CA-O 3.31Å; P239-S263 WeakPolarHBondContact CA-O 3.45Å; R240-S263 PolarHBondContact N-O 2.93Å; R240-S263 PolarHBondContact O-N 2.9Å; R240-S263 PolarHBondContact O-OG 2.79Å; H242-S263 PolarHBondContact CE1-N 2.9Å; H242-S263 PolarHBondContact CE1-OG 2.88Å; H242-S263 PolarHBondContact NE2-OG 2.93Å |
| 264 | G | 95.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | 161 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | P266 A267 | G264-P266 CarbonylContact C-O 3.57Å; G264-P266 CarbonylContact O-C 3.51Å; G264-A267 PolarHBondContact O-N 2.86Å |
| 265 | V | 96.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 109.7 | 177.1 | -176 | 0 | 0 | 0 | 0 | 109.4 | V235 Q236 V237 | V235-V265 WeakPolarHBondContact O-CG1 3.47Å; Q236-V265 CarbonylContact C-O 3.48Å; Q236-V265 VanDerWaalsContact CA-O 3.28Å; Q236-V265 WeakPolarHBondContact CA-O 3.44Å; V237-V265 HydrophobicContact CB-CB 4.06Å; V237-V265 HydrophobicContact CB-CG2 4.15Å; V237-V265 HydrophobicContact CG2-CB 4.07Å; V237-V265 HydrophobicContact CG2-CG2 3.95Å; V237-V265 PolarHBondContact N-O 2.92Å; V237-V265 PolarHBondContact O-N 2.82Å |
| 266 | P | 96.2 | Very high | 93.5 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 31% | 0.305 | 29% | 0.287 | S | S | . | . | S | Bend | cis | -60.8 | 159.4 | -0.7 | -22.1 | 34.5 | 0 | 0 | 0 | 113.7 | G264 N313 T314 | G264-P266 CarbonylContact C-O 3.57Å; G264-P266 CarbonylContact O-C 3.51Å; P266-N313 WeakPolarHBondContact O-CB 3.31Å; P266-N313 PolarHBondContact O-ND2 3.47Å; P266-T314 WeakPolarHBondContact CD-OG1 3.48Å |
| 267 | A | 95.3 | Very high | 93 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 70% | 0.702 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 131.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G264 | G264-A267 PolarHBondContact O-N 2.86Š|
| 268 | P | 96.3 | Very high | 92.6 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 16% | 0.156 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 143.1 | -171.6 | 31 | -34.9 | 0 | 0 | 0 | 113.3 | P239 A262 A311 T312 N313 | P239-P268 HydrophobicContact CB-CB 3.93Å; P239-P268 HydrophobicContact CB-CG 4.44Å; P239-P268 HydrophobicContact CG-CB 4.07Å; A262-P268 HydrophobicContact CB-CG 3.87Å; P268-A311 HydrophobicContact CB-CB 4.18Å; P268-T312 CarbonylContact C-O 3.56Å; P268-T312 WeakPolarHBondContact CA-O 3.32Å; P268-T312 WeakPolarHBondContact CB-O 3.37Å; P268-N313 HydrophobicContact CB-CB 4.48Å |
| 269 | T | 95.1 | Very high | 92.1 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 128.7 | 166.7 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | T312 | T269-T312 PolarHBondContact N-O 2.86Å; T269-T312 PolarHBondContact O-N 2.9Å; T269-T312 PolarHBondContact O-OG1 3.48Å |
| 270 | I | 94.6 | Very high | 90.9 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 16% | 0.159 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.5 | 175.2 | -50 | -56.9 | 0 | 0 | 0 | 110 | C260 A262 C309 T310 A311 | C260-I270 HydrophobicContact CB-CG2 4.49Å; A262-I270 HydrophobicContact CB-CD1 3.79Å; I270-C309 HydrophobicContact CG2-CB 4.5Å; I270-T310 WeakPolarHBondContact CA-O 3.29Å; I270-A311 HydrophobicContact CD1-CB 3.52Å |
| 271 | T | 94 | Very high | 89.3 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 159 | 169.3 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | C309 T310 | T271-C309 CarbonylContact O-C 3.55Å; T271-C309 WeakPolarHBondContact O-CA 3.43Å; T271-T310 PolarHBondContact N-O 3.05Å; T271-T310 PolarHBondContact O-N 3.38Å |
| 272 | W | 95.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.015 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.2 | -179.5 | -74.8 | 87.1 | 0 | 0 | 0 | 111 | L258 C260 L279 G292 L294 V308 C309 M322 | L258-W272 HydrophobicContact CB-CH2 3.5Å; L258-W272 VanDerWaalsContact CB-CH2 3.5Å; L258-W272 HydrophobicContact CB-CZ2 4.25Å; L258-W272 HydrophobicContact CB-CZ3 4.01Å; L258-W272 HydrophobicContact CD1-CH2 4.45Å; L258-W272 HydrophobicContact CD1-CZ3 4.1Å; L258-W272 WeakPolarHBondContact O-CH2 3.42Å; L258-W272 WeakPolarHBondContact O-CZ2 3.46Å; C260-W272 HydrophobicContact CB-CH2 3.95Å; C260-W272 HydrophobicContact CB-CZ2 3.4Å; W272-L279 HydrophobicContact CB-CB 4.27Å; W272-L279 HydrophobicContact CB-CD1 4.18Å; W272-L279 PolarHBondContact O-N 3.49Å; W272-G292 PolarHBondContact NE1-O 2.84Å; W272-L294 HydrophobicContact CB-CD2 4.43Å; W272-L294 HydrophobicContact CD2-CB 3.73Å; W272-L294 HydrophobicContact CD2-CD2 3.95Å; W272-L294 HydrophobicContact CD2-CG 4.44Å; W272-L294 VanDerWaalsContact CE2-CB 3.48Å; W272-L294 HydrophobicContact CE3-CB 4.22Å; W272-L294 HydrophobicContact CE3-CD2 3.87Å; W272-L294 HydrophobicContact CG-CB 4.12Å; W272-L294 HydrophobicContact CG-CD2 4.22Å; W272-L294 HydrophobicContact CH2-CB 4.2Å; W272-L294 HydrophobicContact CZ2-CB 3.73Å; W272-L294 HydrophobicContact CZ3-CB 4.43Å; W272-L294 HydrophobicContact CZ3-CD2 4.39Å; W272-V308 WeakPolarHBondContact CA-O 3.48Å; W272-C309 HydrophobicContact CD2-CB 3.68Å; W272-C309 HydrophobicContact CE3-CB 3.74Å; W272-C309 HydrophobicContact CG-CB 4.44Å; W272-C309 HydrophobicContact CH2-CB 3.75Å; W272-C309 HydrophobicContact CZ2-CB 3.65Å; W272-C309 HydrophobicContact CZ3-CB 3.78Å; W272-M322 HydrophobicContact CH2-SD 3.56Å; W272-M322 VanDerWaalsContact CH2-SD 3.56Å; W272-M322 HydrophobicContact CZ3-SD 4.07Å |
| 273 | T | 94.2 | Very high | 86.3 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 23% | 0.233 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153 | 168.6 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | N277 Y307 V308 | T273-N277 CarbonylContact C-O 3.54Å; T273-N277 WeakPolarHBondContact CA-O 3.34Å; T273-N277 WeakPolarHBondContact CB-O 3.25Å; T273-Y307 CarbonylContact O-C 3.53Å; T273-Y307 VanDerWaalsContact O-CA 3.28Å; T273-Y307 WeakPolarHBondContact O-CA 3.42Å; T273-V308 PolarHBondContact N-O 2.94Å; T273-V308 PolarHBondContact O-N 3.12Å |
| 274 | K | 92.6 | Very high | 85.4 | Confident | 17 Ų | 17 | 72 Ų | 72 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 127.2 | 168.5 | -176.5 | -167.8 | -164.3 | -79.3 | 0 | 107.2 | T276 N277 L279 Q302 A304 Y307 | K274-T276 VanDerWaalsContact C-N 3.29Å; K274-T276 PolarHBondContact O-N 2.76Å; K274-N277 PolarHBondContact N-O 2.82Å; K274-N277 WeakPolarHBondContact O-CB 3.37Å; K274-N277 PolarHBondContact O-N 2.91Å; K274-L279 HydrophobicContact CB-CD1 4.27Å; K274-L279 HydrophobicContact CB-CD2 4.09Å; K274-L279 HydrophobicContact CB-CG 4.42Å; K274-Q302 WeakPolarHBondContact CE-O 3.14Å; K274-Q302 PolarHBondContact NZ-O 2.86Å; K274-A304 PolarHBondContact NZ-O 3.08Å; K274-Y307 HydrophobicContact CB-CD1 3.99Å; K274-Y307 HydrophobicContact CB-CE1 3.93Å; K274-Y307 HydrophobicContact CD-CE1 3.89Å; K274-Y307 HydrophobicContact CD-CE2 4.17Å; K274-Y307 WeakPolarHBondContact CD-OH 2.96Å; K274-Y307 WeakPolarHBondContact CE-OH 3.01Å; K274-Y307 HydrophobicContact CG-CD1 4.31Å; K274-Y307 HydrophobicContact CG-CE1 4.02Å; K274-Y307 HydrophobicContact CG-CE2 4.23Å |
| 275 | E | 79.6 | Confident | 85 | Confident | 115 Ų | 115 | 74.2 Ų | 74.2 | 54% | 0.537 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 50.8 | 178.5 | -70.5 | 139.3 | -139.8 | 0 | 0 | 112.9 | N277 | E275-N277 PolarHBondContact O-N 3.46Å; E275-N277 VanDerWaalsContact O-N 3.08Å; E275-N277 PolarHBondContact O-ND2 2.79Å |
| 276 | T | 75.8 | Confident | 84.7 | Confident | 136 Ų | 136 | 74.5 Ų | 74.5 | 83% | 0.834 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | -17.6 | -172.5 | 73.3 | 0 | 0 | 0 | 0 | 117.6 | K274 | K274-T276 VanDerWaalsContact C-N 3.29Å; K274-T276 PolarHBondContact O-N 2.76Å |
| 277 | N | 85.5 | Confident | 84.5 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.6 | -179.8 | -67.3 | -74.4 | 0 | 0 | 0 | 111.6 | T273 K274 E275 | T273-N277 CarbonylContact C-O 3.54Å; T273-N277 WeakPolarHBondContact CA-O 3.34Å; T273-N277 WeakPolarHBondContact CB-O 3.25Å; K274-N277 PolarHBondContact N-O 2.82Å; K274-N277 WeakPolarHBondContact O-CB 3.37Å; K274-N277 PolarHBondContact O-N 2.91Å; E275-N277 PolarHBondContact O-N 3.46Å; E275-N277 VanDerWaalsContact O-N 3.08Å; E275-N277 PolarHBondContact O-ND2 2.79Å |
| 278 | A | 85.6 | Confident | 84.2 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 127.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | T280 | A278-T280 PolarHBondContact O-N 3.49Å |
| 279 | L | 84.9 | Confident | 83.9 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 15% | 0.147 | 42% | 0.421 | C | S | . | . | trans | -85.9 | 113.6 | -179.3 | -57.7 | -176.5 | 0 | 0 | 0 | 110.2 | W272 K274 S281 Y286 L294 Y307 | W272-L279 HydrophobicContact CB-CB 4.27Å; W272-L279 HydrophobicContact CB-CD1 4.18Å; W272-L279 PolarHBondContact O-N 3.49Å; K274-L279 HydrophobicContact CB-CD1 4.27Å; K274-L279 HydrophobicContact CB-CD2 4.09Å; K274-L279 HydrophobicContact CB-CG 4.42Å; L279-S281 PolarHBondContact O-N 3.34Å; L279-Y286 HydrophobicContact CD1-CE1 4.48Å; L279-Y286 HydrophobicContact CD2-CD2 4.06Å; L279-Y286 HydrophobicContact CD2-CE2 3.79Å; L279-L294 HydrophobicContact CD1-CD1 4.46Å; L279-L294 HydrophobicContact CD1-CD2 3.67Å; L279-Y307 HydrophobicContact CD1-CD1 3.73Å; L279-Y307 HydrophobicContact CD1-CE1 3.66Å | ||
| 280 | T | 69.8 | Low | 83.4 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | trans | -73.8 | 115.7 | 175.9 | 19.9 | 0 | 0 | 0 | 0 | 111 | A278 R282 G283 | A278-T280 PolarHBondContact O-N 3.49Å; T280-R282 PolarHBondContact O-N 2.88Å; T280-G283 PolarHBondContact O-N 3.45Å | ||
| 281 | S | 61.3 | Low | 83 | Confident | 50 Ų | 50 | 84 Ų | 84 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 26.5 | -179.6 | -169 | 0 | 0 | 0 | 0 | 115.5 | L279 V288 | L279-S281 PolarHBondContact O-N 3.34Å; S281-V288 WeakPolarHBondContact OG-CB 3.38Å; S281-V288 WeakPolarHBondContact OG-CG2 3.18Å; S281-V288 PolarHBondContact OG-N 3.3Å; S281-V288 VanDerWaalsContact OG-N 3.08Å |
| 282 | R | 62.6 | Low | 82.8 | Confident | 245 Ų | 245 | 80.9 Ų | 80.9 | 93% | 0.925 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.6 | 25.9 | -176.9 | -61.3 | -174.6 | -174.9 | -100.5 | 1.2 | 112.2 | T280 | T280-R282 PolarHBondContact O-N 2.88Š|
| 283 | G | 66.6 | Low | 82.7 | Confident | 31 Ų | 31 | 82 Ų | 82 | 32% | 0.32 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -91.8 | 159.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T280 H285 Y286 | T280-G283 PolarHBondContact O-N 3.45Å; G283-H285 PolarHBondContact O-N 3.22Å; G283-Y286 PolarHBondContact N-O 3.08Å; G283-Y286 VanDerWaalsContact O-O 3.13Å |
| 284 | P | 76.1 | Confident | 82.7 | Confident | 138 Ų | 138 | 80.1 Ų | 80.1 | 90% | 0.896 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -69.8 | -18.5 | 171.6 | 29.6 | -35.1 | 0 | 0 | 0 | 112.9 | ||
| 285 | H | 88.1 | Confident | 82.8 | Confident | 61 Ų | 61 | 82.9 Ų | 82.9 | 28% | 0.282 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -97 | -38.9 | -177.2 | -171.1 | 62.5 | 0 | 0 | 0 | 113.4 | G283 I296 A297 Q298 D303 | G283-H285 PolarHBondContact O-N 3.22Å; H285-I296 WeakPolarHBondContact O-CA 3.47Å; H285-A297 PolarHBondContact O-N 2.9Å; H285-Q298 PolarHBondContact CE1-O 2.91Å; H285-D303 IonicContact CD2-OD1 3.37Å; H285-D303 IonicContact CE1-OD1 3.46Å; H285-D303 IonicContact CE1-OD2 3.38Å; H285-D303 PolarHBondContact CE1-OD2 3.17Å; H285-D303 VanDerWaalsContact NE2-CG 3.29Å; H285-D303 IonicContact NE2-OD1 2.89Å; H285-D303 PolarHBondContact NE2-OD1 2.93Å; H285-D303 IonicContact NE2-OD2 3.4Å; H285-D303 PolarHBondContact NE2-OD2 3.08Å |
| 286 | Y | 90.6 | Very high | 83.6 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 18% | 0.176 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.7 | -178.6 | -63.4 | -54.7 | 0 | 0 | 0 | 111.1 | L279 G283 L294 I296 D303 Y307 | L279-Y286 HydrophobicContact CD1-CE1 4.48Å; L279-Y286 HydrophobicContact CD2-CD2 4.06Å; L279-Y286 HydrophobicContact CD2-CE2 3.79Å; G283-Y286 PolarHBondContact N-O 3.08Å; G283-Y286 VanDerWaalsContact O-O 3.13Å; Y286-L294 HydrophobicContact CD1-CD1 4.33Å; Y286-I296 HydrophobicContact CD1-CG1 3.91Å; Y286-I296 HydrophobicContact CD1-CG2 4.28Å; Y286-I296 HydrophobicContact CE1-CD1 4.36Å; Y286-I296 HydrophobicContact CE1-CG1 3.92Å; Y286-I296 HydrophobicContact CE1-CG2 4.06Å; Y286-D303 PolarHBondContact OH-OD1 2.88Å; Y286-D303 VanDerWaalsContact OH-OD1 3.05Å; Y286-Y307 HydrophobicContact CE1-CE1 4.3Å |
| 287 | N | 90.4 | Very high | 84.3 | Confident | 86 Ų | 86 | 72.9 Ų | 72.9 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 139.8 | 178.1 | -173.2 | 9.9 | 0 | 0 | 0 | 109.8 | L295 | N287-L295 PolarHBondContact N-O 3.49Å; N287-L295 PolarHBondContact O-N 2.91Å |
| 288 | V | 90.6 | Very high | 84.7 | Confident | 27 Ų | 27 | 74.7 Ų | 74.7 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.9 | 178.2 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | S281 T293 L294 | S281-V288 WeakPolarHBondContact OG-CB 3.38Å; S281-V288 WeakPolarHBondContact OG-CG2 3.18Å; S281-V288 PolarHBondContact OG-N 3.3Å; S281-V288 VanDerWaalsContact OG-N 3.08Å; V288-T293 CarbonylContact C-O 3.5Å; V288-T293 WeakPolarHBondContact CA-O 3.42Å; V288-L294 HydrophobicContact CG2-CD1 3.99Å |
| 289 | S | 88.2 | Confident | 85.1 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | trans | -69.1 | 165.5 | 178.8 | 91.2 | 0 | 0 | 0 | 0 | 112.1 | E291 G292 T293 | S289-E291 WeakPolarHBondContact CB-OE2 3.29Å; S289-E291 PolarHBondContact O-N 2.91Å; S289-E291 PolarHBondContact OG-N 2.92Å; S289-E291 PolarHBondContact OG-OE2 2.95Å; S289-G292 PolarHBondContact O-N 2.95Å; S289-T293 PolarHBondContact N-O 2.86Å; S289-T293 WeakPolarHBondContact OG-CB 3.43Å; S289-T293 PolarHBondContact OG-N 3.27Å | ||
| 290 | K | 85.3 | Confident | 85.6 | Confident | 211 Ų | 211 | 71.3 Ų | 71.3 | 92% | 0.917 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25.8 | 177.6 | -66.9 | 179 | 178.9 | 177.4 | 0 | 112.4 | G292 | K290-G292 VanDerWaalsContact C-N 3.31Š|
| 291 | E | 86.1 | Confident | 86.6 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -3.5 | 180 | -50 | 69 | -147.5 | 0 | 0 | 112.3 | S289 | S289-E291 WeakPolarHBondContact CB-OE2 3.29Å; S289-E291 PolarHBondContact O-N 2.91Å; S289-E291 PolarHBondContact OG-N 2.92Å; S289-E291 PolarHBondContact OG-OE2 2.95Å |
| 292 | G | 90.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 96.4 | 0.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | C260 W272 S289 K290 | C260-G292 CarbonylContact O-C 3.51Å; C260-G292 WeakPolarHBondContact O-CA 3.48Å; W272-G292 PolarHBondContact NE1-O 2.84Å; S289-G292 PolarHBondContact O-N 2.95Å; K290-G292 VanDerWaalsContact C-N 3.31Å |
| 293 | T | 92.9 | Very high | 89.5 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 16% | 0.16 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 125.8 | -177.4 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | S257 L258 P259 V288 S289 | S257-T293 WeakPolarHBondContact OG-CG2 3.33Å; L258-T293 WeakPolarHBondContact O-CA 3.49Å; P259-T293 HydrophobicContact CB-CG2 4.5Å; V288-T293 CarbonylContact C-O 3.5Å; V288-T293 WeakPolarHBondContact CA-O 3.42Å; S289-T293 PolarHBondContact N-O 2.86Å; S289-T293 WeakPolarHBondContact OG-CB 3.43Å; S289-T293 PolarHBondContact OG-N 3.27Å |
| 294 | L | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 120.9 | 173.3 | 174.8 | 65.4 | 0 | 0 | 0 | 110.4 | S257 L258 W272 L279 Y286 V288 I296 Y307 | S257-L294 WeakPolarHBondContact CA-O 3.38Å; L258-L294 HydrophobicContact CB-CB 4.42Å; L258-L294 HydrophobicContact CD1-CD2 4.36Å; L258-L294 PolarHBondContact N-O 3.04Å; L258-L294 PolarHBondContact O-N 3.34Å; W272-L294 HydrophobicContact CB-CD2 4.43Å; W272-L294 HydrophobicContact CD2-CB 3.73Å; W272-L294 HydrophobicContact CD2-CD2 3.95Å; W272-L294 HydrophobicContact CD2-CG 4.44Å; W272-L294 VanDerWaalsContact CE2-CB 3.48Å; W272-L294 HydrophobicContact CE3-CB 4.22Å; W272-L294 HydrophobicContact CE3-CD2 3.87Å; W272-L294 HydrophobicContact CG-CB 4.12Å; W272-L294 HydrophobicContact CG-CD2 4.22Å; W272-L294 HydrophobicContact CH2-CB 4.2Å; W272-L294 HydrophobicContact CZ2-CB 3.73Å; W272-L294 HydrophobicContact CZ3-CB 4.43Å; W272-L294 HydrophobicContact CZ3-CD2 4.39Å; L279-L294 HydrophobicContact CD1-CD1 4.46Å; L279-L294 HydrophobicContact CD1-CD2 3.67Å; Y286-L294 HydrophobicContact CD1-CD1 4.33Å; V288-L294 HydrophobicContact CG2-CD1 3.99Å; L294-I296 HydrophobicContact CG-CG1 4.31Å; L294-Y307 HydrophobicContact CD2-CD1 3.57Å; L294-Y307 HydrophobicContact CD2-CE1 3.78Å |
| 295 | L | 94.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.2 | 170.7 | -178.6 | 71.2 | 0 | 0 | 0 | 109.5 | A256 N287 | A256-L295 WeakPolarHBondContact O-CA 3.38Å; N287-L295 PolarHBondContact N-O 3.49Å; N287-L295 PolarHBondContact O-N 2.91Å |
| 296 | I | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.3 | 173 | -51.7 | 163.6 | 0 | 0 | 0 | 107 | A255 A256 H285 Y286 L294 P299 Y307 L324 | A255-I296 WeakPolarHBondContact CA-O 3.2Å; A256-I296 HydrophobicContact CB-CB 4.42Å; A256-I296 HydrophobicContact CB-CD1 4.5Å; A256-I296 PolarHBondContact N-O 3.49Å; A256-I296 PolarHBondContact O-N 2.87Å; H285-I296 WeakPolarHBondContact O-CA 3.47Å; Y286-I296 HydrophobicContact CD1-CG1 3.91Å; Y286-I296 HydrophobicContact CD1-CG2 4.28Å; Y286-I296 HydrophobicContact CE1-CD1 4.36Å; Y286-I296 HydrophobicContact CE1-CG1 3.92Å; Y286-I296 HydrophobicContact CE1-CG2 4.06Å; L294-I296 HydrophobicContact CG-CG1 4.31Å; I296-P299 HydrophobicContact CB-CG 4.13Å; I296-P299 HydrophobicContact CG2-CB 4.3Å; I296-P299 HydrophobicContact CG2-CG 3.89Å; I296-Y307 HydrophobicContact CD1-CE1 4.16Å; I296-L324 HydrophobicContact CD1-CD2 3.44Å; I296-L324 VanDerWaalsContact CD1-CD2 3.44Å |
| 297 | A | 92 | Very high | 92.4 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 35% | 0.347 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -72.9 | -41.5 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H285 | H285-A297 PolarHBondContact O-N 2.9Š|
| 298 | Q | 92.9 | Very high | 92.6 | Very high | 147 Ų | 147 | 50.9 Ų | 50.9 | 69% | 0.687 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -137 | 76.4 | 179 | -66 | -176.6 | 2.4 | 0 | 0 | 110.2 | H285 S300 | H285-Q298 PolarHBondContact CE1-O 2.91Å; Q298-S300 PolarHBondContact O-N 2.94Å |
| 299 | P | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | trans | -61.6 | 131.9 | -173 | -24.6 | 36.4 | 0 | 0 | 0 | 112.9 | T250 E252 G253 V254 A256 I296 D303 V326 | T250-P299 HydrophobicContact CG2-CB 3.85Å; T250-P299 HydrophobicContact CG2-CG 4.05Å; E252-P299 WeakPolarHBondContact CA-O 3.4Å; G253-P299 PolarHBondContact N-O 2.02Å; V254-P299 WeakPolarHBondContact O-CD 3.15Å; V254-P299 VanDerWaalsContact O-CG 3.26Å; V254-P299 WeakPolarHBondContact O-CG 3.41Å; A256-P299 HydrophobicContact CB-CG 3.8Å; I296-P299 HydrophobicContact CB-CG 4.13Å; I296-P299 HydrophobicContact CG2-CB 4.3Å; I296-P299 HydrophobicContact CG2-CG 3.89Å; P299-D303 HydrophobicContact CB-CB 4.46Å; P299-V326 HydrophobicContact CB-CG1 4.33Å; P299-V326 HydrophobicContact CB-CG2 3.96Å | ||
| 300 | S | 94.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | trans | -111.1 | 175.6 | -179.9 | 75.3 | 0 | 0 | 0 | 0 | 111.7 | Q298 Q302 D303 V326 | Q298-S300 PolarHBondContact O-N 2.94Å; S300-Q302 PolarHBondContact O-N 3.14Å; S300-Q302 VanDerWaalsContact O-N 3.12Å; S300-Q302 PolarHBondContact OG-N 2.93Å; S300-Q302 VanDerWaalsContact OG-N 3.15Å; S300-D303 WeakPolarHBondContact CA-OD2 3.32Å; S300-D303 WeakPolarHBondContact CB-OD2 3.42Å; S300-D303 PolarHBondContact N-OD2 2.82Å; S300-D303 PolarHBondContact O-N 2.93Å; S300-D303 PolarHBondContact OG-OD2 2.82Å; S300-V326 WeakPolarHBondContact O-CG2 3.3Å | ||
| 301 | A | 91.9 | Very high | 93.8 | Very high | 63 Ų | 63 | 38.8 Ų | 38.8 | 52% | 0.521 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T328 | A301-T328 HydrophobicContact CB-CG2 3.95Š|
| 302 | Q | 91.9 | Very high | 94.3 | Very high | 164 Ų | 164 | 35.7 Ų | 35.7 | 77% | 0.766 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -17.6 | -178.7 | -59.6 | -178 | 0.9 | 0 | 0 | 112.7 | K274 S300 | K274-Q302 WeakPolarHBondContact CE-O 3.14Å; K274-Q302 PolarHBondContact NZ-O 2.86Å; S300-Q302 PolarHBondContact O-N 3.14Å; S300-Q302 VanDerWaalsContact O-N 3.12Å; S300-Q302 PolarHBondContact OG-N 2.93Å; S300-Q302 VanDerWaalsContact OG-N 3.15Å |
| 303 | D | 93.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.2 | 178.4 | -61.5 | -70.4 | 0 | 0 | 0 | 112.7 | H285 Y286 P299 S300 G305 Y307 V326 | H285-D303 IonicContact CD2-OD1 3.37Å; H285-D303 IonicContact CE1-OD1 3.46Å; H285-D303 IonicContact CE1-OD2 3.38Å; H285-D303 PolarHBondContact CE1-OD2 3.17Å; H285-D303 VanDerWaalsContact NE2-CG 3.29Å; H285-D303 IonicContact NE2-OD1 2.89Å; H285-D303 PolarHBondContact NE2-OD1 2.93Å; H285-D303 IonicContact NE2-OD2 3.4Å; H285-D303 PolarHBondContact NE2-OD2 3.08Å; Y286-D303 PolarHBondContact OH-OD1 2.88Å; Y286-D303 VanDerWaalsContact OH-OD1 3.05Å; P299-D303 HydrophobicContact CB-CB 4.46Å; S300-D303 WeakPolarHBondContact CA-OD2 3.32Å; S300-D303 WeakPolarHBondContact CB-OD2 3.42Å; S300-D303 PolarHBondContact N-OD2 2.82Å; S300-D303 PolarHBondContact O-N 2.93Å; S300-D303 PolarHBondContact OG-OD2 2.82Å; D303-G305 PolarHBondContact O-N 3.46Å; D303-Y307 VanDerWaalsContact O-CE2 3.3Å; D303-Y307 WeakPolarHBondContact O-CE2 3.16Å; D303-Y307 PolarHBondContact O-OH 2.98Å; D303-V326 HydrophobicContact CB-CG2 4.31Å |
| 304 | A | 94.6 | Very high | 94.8 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | trans | -61.5 | 138.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | K274 L324 V326 | K274-A304 PolarHBondContact NZ-O 3.08Å; A304-L324 WeakPolarHBondContact CA-O 3.22Å; A304-V326 HydrophobicContact CB-CB 4.38Å; A304-V326 HydrophobicContact CB-CG2 4.32Å | ||
| 305 | G | 94.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.7 | -169.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D303 R323 L324 | D303-G305 PolarHBondContact O-N 3.46Å; G305-R323 WeakPolarHBondContact O-CA 3.29Å; G305-L324 PolarHBondContact N-O 3.35Å; G305-L324 PolarHBondContact O-N 2.94Å |
| 306 | A | 95.6 | Very high | 94.9 | Very high | 30 Ų | 30 | 41 Ų | 41 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | E321 | A306-E321 HydrophobicContact CB-CG 4.22Å |
| 307 | Y | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.5 | 176.4 | -70.2 | -103.7 | 0 | 0 | 0 | 108.5 | L258 T273 K274 L279 Y286 L294 I296 D303 E321 M322 L324 | L258-Y307 HydrophobicContact CD1-CD1 4.18Å; L258-Y307 HydrophobicContact CD1-CD2 3.92Å; L258-Y307 HydrophobicContact CD1-CE2 4.49Å; L258-Y307 HydrophobicContact CD1-CG 3.75Å; T273-Y307 CarbonylContact O-C 3.53Å; T273-Y307 VanDerWaalsContact O-CA 3.28Å; T273-Y307 WeakPolarHBondContact O-CA 3.42Å; K274-Y307 HydrophobicContact CB-CD1 3.99Å; K274-Y307 HydrophobicContact CB-CE1 3.93Å; K274-Y307 HydrophobicContact CD-CE1 3.89Å; K274-Y307 HydrophobicContact CD-CE2 4.17Å; K274-Y307 WeakPolarHBondContact CD-OH 2.96Å; K274-Y307 WeakPolarHBondContact CE-OH 3.01Å; K274-Y307 HydrophobicContact CG-CD1 4.31Å; K274-Y307 HydrophobicContact CG-CE1 4.02Å; K274-Y307 HydrophobicContact CG-CE2 4.23Å; L279-Y307 HydrophobicContact CD1-CD1 3.73Å; L279-Y307 HydrophobicContact CD1-CE1 3.66Å; Y286-Y307 HydrophobicContact CE1-CE1 4.3Å; L294-Y307 HydrophobicContact CD2-CD1 3.57Å; L294-Y307 HydrophobicContact CD2-CE1 3.78Å; I296-Y307 HydrophobicContact CD1-CE1 4.16Å; D303-Y307 VanDerWaalsContact O-CE2 3.3Å; D303-Y307 WeakPolarHBondContact O-CE2 3.16Å; D303-Y307 PolarHBondContact O-OH 2.98Å; Y307-E321 CarbonylContact O-C 3.28Å; Y307-E321 WeakPolarHBondContact O-CA 3.44Å; Y307-M322 PolarHBondContact N-O 2.81Å; Y307-M322 PolarHBondContact O-N 2.86Å; Y307-M322 VanDerWaalsContact O-O 3.14Å; Y307-L324 HydrophobicContact CD2-CB 4.15Å; Y307-L324 HydrophobicContact CE2-CB 3.88Å; Y307-L324 HydrophobicContact CE2-CD2 4.15Å |
| 308 | V | 96 | Very high | 95.3 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.4 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | W272 T273 Q320 E321 | W272-V308 WeakPolarHBondContact CA-O 3.48Å; T273-V308 PolarHBondContact N-O 2.94Å; T273-V308 PolarHBondContact O-N 3.12Å; V308-Q320 WeakPolarHBondContact CA-O 3.21Å; V308-E321 HydrophobicContact CG2-CB 4.25Å; V308-E321 HydrophobicContact CG2-CG 4.18Å |
| 309 | C | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140.5 | 165.3 | 76.5 | 0 | 0 | 0 | 0 | 109.9 | C260 I270 T271 W272 S319 Q320 | C260-C309 HydrophobicContact CB-CB 3.44Å; C260-C309 VanDerWaalsContact CB-CB 3.44Å; C260-C309 WeakPolarHBondContact CB-SG 3.48Å; C260-C309 WeakPolarHBondContact SG-CB 3.46Å; C260-C309 CovalentContact SG-SG 2.03Å; C260-C309 PolarHBondContact SG-SG 3.25Å; I270-C309 HydrophobicContact CG2-CB 4.5Å; T271-C309 CarbonylContact O-C 3.55Å; T271-C309 WeakPolarHBondContact O-CA 3.43Å; W272-C309 HydrophobicContact CD2-CB 3.68Å; W272-C309 HydrophobicContact CE3-CB 3.74Å; W272-C309 HydrophobicContact CG-CB 4.44Å; W272-C309 HydrophobicContact CH2-CB 3.75Å; W272-C309 HydrophobicContact CZ2-CB 3.65Å; W272-C309 HydrophobicContact CZ3-CB 3.78Å; C309-S319 CarbonylContact O-C 3.59Å; C309-S319 VanDerWaalsContact O-CA 3.25Å; C309-S319 WeakPolarHBondContact O-CA 3.45Å; C309-Q320 PolarHBondContact N-O 3.25Å; C309-Q320 PolarHBondContact O-N 2.89Å |
| 310 | T | 95.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.1 | 179.6 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | I270 T271 T312 F317 S318 | I270-T310 WeakPolarHBondContact CA-O 3.29Å; T271-T310 PolarHBondContact N-O 3.05Å; T271-T310 PolarHBondContact O-N 3.38Å; T310-T312 HydrophobicContact CG2-CG2 3.85Å; T310-F317 HydrophobicContact CG2-CB 4.46Å; T310-F317 HydrophobicContact CG2-CD2 4.42Å; T310-S318 CarbonylContact C-O 3.55Å; T310-S318 WeakPolarHBondContact CA-O 3.36Å |
| 311 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P239 I241 A262 P268 I270 F317 S318 | P239-A311 HydrophobicContact CB-CB 3.78Å; P239-A311 WeakPolarHBondContact CB-O 3.46Å; I241-A311 HydrophobicContact CD1-CB 4.31Å; I241-A311 HydrophobicContact CG1-CB 3.87Å; A262-A311 HydrophobicContact CB-CB 3.45Å; A262-A311 VanDerWaalsContact CB-CB 3.45Å; P268-A311 HydrophobicContact CB-CB 4.18Å; I270-A311 HydrophobicContact CD1-CB 3.52Å; A311-F317 CarbonylContact O-C 3.57Å; A311-F317 WeakPolarHBondContact O-CA 3.32Å; A311-F317 WeakPolarHBondContact O-CB 3.47Å; A311-S318 PolarHBondContact N-O 3.48Å; A311-S318 PolarHBondContact O-N 3.33Å |
| 312 | T | 96.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 137.5 | -171.9 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | P268 T269 T310 F317 | P268-T312 CarbonylContact C-O 3.56Å; P268-T312 WeakPolarHBondContact CA-O 3.32Å; P268-T312 WeakPolarHBondContact CB-O 3.37Å; T269-T312 PolarHBondContact N-O 2.86Å; T269-T312 PolarHBondContact O-N 2.9Å; T269-T312 PolarHBondContact O-OG1 3.48Å; T310-T312 HydrophobicContact CG2-CG2 3.85Å; T312-F317 HydrophobicContact CG2-CB 4.07Å |
| 313 | N | 97.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 16% | 0.16 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | -174 | 167 | 76.5 | 7.2 | 0 | 0 | 0 | 110.8 | V237 P239 P266 P268 V315 G316 | V237-N313 PolarHBondContact O-ND2 2.85Å; P239-N313 WeakPolarHBondContact CD-OD1 3.36Å; P239-N313 HydrophobicContact CG-CB 4.07Å; P266-N313 WeakPolarHBondContact O-CB 3.31Å; P266-N313 PolarHBondContact O-ND2 3.47Å; P268-N313 HydrophobicContact CB-CB 4.48Å; N313-V315 PolarHBondContact O-N 2.87Å; N313-V315 WeakPolarHBondContact OD1-CA 3.25Å; N313-V315 WeakPolarHBondContact OD1-CB 3.5Å; N313-V315 WeakPolarHBondContact OD1-CG2 3.45Å; N313-V315 PolarHBondContact OD1-N 2.84Å; N313-G316 PolarHBondContact N-O 2.85Å; N313-G316 PolarHBondContact O-N 2.92Å; N313-G316 PolarHBondContact OD1-N 3.29Å |
| 314 | T | 96.1 | Very high | 96 | Very high | 107 Ų | 107 | 46.3 Ų | 46.3 | 66% | 0.656 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -4.1 | -178.7 | 58 | 0 | 0 | 0 | 0 | 114.9 | Q236 P266 | Q236-T314 PolarHBondContact NE2-OG1 3.28Å; P266-T314 WeakPolarHBondContact CD-OG1 3.48Å |
| 315 | V | 95.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 30% | 0.297 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -30.4 | -172.2 | -164.3 | 0 | 0 | 0 | 0 | 111.2 | L160 Q236 P238 N313 | L160-V315 HydrophobicContact CD1-CG1 3.52Å; Q236-V315 HydrophobicContact CB-CG2 3.78Å; Q236-V315 HydrophobicContact CG-CG2 4.47Å; P238-V315 HydrophobicContact CB-CG1 4.27Å; N313-V315 PolarHBondContact O-N 2.87Å; N313-V315 WeakPolarHBondContact OD1-CA 3.25Å; N313-V315 WeakPolarHBondContact OD1-CB 3.5Å; N313-V315 WeakPolarHBondContact OD1-CG2 3.45Å; N313-V315 PolarHBondContact OD1-N 2.84Å |
| 316 | G | 96.2 | Very high | 96.2 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.2 | -159 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P239 N313 | P239-G316 WeakPolarHBondContact CD-O 3.35Å; P239-G316 WeakPolarHBondContact CG-O 3.35Å; N313-G316 PolarHBondContact N-O 2.85Å; N313-G316 PolarHBondContact O-N 2.92Å; N313-G316 PolarHBondContact OD1-N 3.29Å |
| 317 | F | 97.2 | Very high | 96.2 | Very high | 147 Ų | 147 | 45.1 Ų | 45.1 | 65% | 0.645 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 162.8 | 179.3 | 69.3 | -82.6 | 0 | 0 | 0 | 112 | T310 A311 T312 | T310-F317 HydrophobicContact CG2-CB 4.46Å; T310-F317 HydrophobicContact CG2-CD2 4.42Å; A311-F317 CarbonylContact O-C 3.57Å; A311-F317 WeakPolarHBondContact O-CA 3.32Å; A311-F317 WeakPolarHBondContact O-CB 3.47Å; T312-F317 HydrophobicContact CG2-CB 4.07Å |
| 318 | S | 97.5 | Very high | 96.2 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.8 | 168.5 | 172.3 | 0 | 0 | 0 | 0 | 108 | P239 I241 T310 A311 | P239-S318 WeakPolarHBondContact O-CB 3.3Å; I241-S318 WeakPolarHBondContact CD1-O 3.28Å; T310-S318 CarbonylContact C-O 3.55Å; T310-S318 WeakPolarHBondContact CA-O 3.36Å; A311-S318 PolarHBondContact N-O 3.48Å; A311-S318 PolarHBondContact O-N 3.33Å |
| 319 | S | 96 | Very high | 96 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.7 | -176.8 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | C309 | C309-S319 CarbonylContact O-C 3.59Å; C309-S319 VanDerWaalsContact O-CA 3.25Å; C309-S319 WeakPolarHBondContact O-CA 3.45Å |
| 320 | Q | 95.5 | Very high | 95.9 | Very high | 73 Ų | 73 | 49.7 Ų | 49.7 | 34% | 0.341 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.9 | 177.2 | -179.4 | 58.4 | 63.9 | 0 | 0 | 109.6 | I241 V308 C309 M322 | I241-Q320 HydrophobicContact CD1-CB 3.86Å; I241-Q320 HydrophobicContact CG2-CB 4.14Å; V308-Q320 WeakPolarHBondContact CA-O 3.21Å; C309-Q320 PolarHBondContact N-O 3.25Å; C309-Q320 PolarHBondContact O-N 2.89Å; Q320-M322 HydrophobicContact CG-CG 4.21Å |
| 321 | E | 95.5 | Very high | 95.7 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 53% | 0.533 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 138.6 | 169.5 | -170.1 | 179 | 131.4 | 0 | 0 | 110.3 | A306 Y307 V308 | A306-E321 HydrophobicContact CB-CG 4.22Å; Y307-E321 CarbonylContact O-C 3.28Å; Y307-E321 WeakPolarHBondContact O-CA 3.44Å; V308-E321 HydrophobicContact CG2-CB 4.25Å; V308-E321 HydrophobicContact CG2-CG 4.18Å |
| 322 | M | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.2 | 179.4 | -55.4 | 177.7 | 80.6 | 0 | 0 | 108.3 | A245 T246 H248 P259 W272 Y307 Q320 | A245-M322 WeakPolarHBondContact O-CE 3.32Å; T246-M322 CarbonylContact O-C 3.54Å; T246-M322 WeakPolarHBondContact O-CA 3.34Å; H248-M322 WeakPolarHBondContact NE2-CE 3.19Å; P259-M322 HydrophobicContact CG-CE 4.47Å; P259-M322 WeakPolarHBondContact O-CE 3.44Å; W272-M322 HydrophobicContact CH2-SD 3.56Å; W272-M322 VanDerWaalsContact CH2-SD 3.56Å; W272-M322 HydrophobicContact CZ3-SD 4.07Å; Y307-M322 PolarHBondContact N-O 2.81Å; Y307-M322 PolarHBondContact O-N 2.86Å; Y307-M322 VanDerWaalsContact O-O 3.14Å; Q320-M322 HydrophobicContact CG-CG 4.21Å |
| 323 | R | 96.4 | Very high | 94.6 | Very high | 136 Ų | 136 | 58.3 Ų | 58.3 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.8 | -177.8 | -177.6 | 175.3 | 179.2 | 76.6 | 2.3 | 110.7 | T246 H247 H248 G305 | T246-R323 PolarHBondContact O-N 3.39Å; H247-R323 WeakPolarHBondContact CA-O 3.44Å; H247-R323 PolarHBondContact CD2-O 2.6Å; H248-R323 PolarHBondContact N-O 3.46Å; G305-R323 WeakPolarHBondContact O-CA 3.29Å |
| 324 | L | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.5 | 171 | -179.6 | 59.3 | 0 | 0 | 0 | 110.4 | H248 T250 A256 I296 A304 G305 Y307 V326 | H248-L324 HydrophobicContact CB-CD1 4.1Å; T250-L324 HydrophobicContact CG2-CD1 4.25Å; A256-L324 HydrophobicContact CB-CD1 4.21Å; A256-L324 HydrophobicContact CB-CD2 4.31Å; I296-L324 HydrophobicContact CD1-CD2 3.44Å; I296-L324 VanDerWaalsContact CD1-CD2 3.44Å; A304-L324 WeakPolarHBondContact CA-O 3.22Å; G305-L324 PolarHBondContact N-O 3.35Å; G305-L324 PolarHBondContact O-N 2.94Å; Y307-L324 HydrophobicContact CD2-CB 4.15Å; Y307-L324 HydrophobicContact CE2-CB 3.88Å; Y307-L324 HydrophobicContact CE2-CD2 4.15Å; L324-V326 HydrophobicContact CD2-CG2 4.15Å; L324-V326 HydrophobicContact CG-CG2 4.1Å |
| 325 | S | 95.9 | Very high | 91.7 | Very high | 30 Ų | 30 | 62 Ų | 62 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.8 | 164.1 | -73.1 | 0 | 0 | 0 | 0 | 109.4 | H247 H248 I249 T250 | H247-S325 PolarHBondContact NE2-OG 3.21Å; H248-S325 PolarHBondContact O-N 2.97Å; I249-S325 WeakPolarHBondContact CA-O 3.03Å; T250-S325 PolarHBondContact N-O 3.28Å |
| 326 | V | 96.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.6 | 168.6 | -174.6 | 0 | 0 | 0 | 0 | 108.3 | T250 E252 P299 S300 D303 A304 L324 S363 | T250-V326 HydrophobicContact CG2-CB 4.4Å; T250-V326 HydrophobicContact CG2-CG1 4.23Å; T250-V326 HydrophobicContact CG2-CG2 3.97Å; E252-V326 HydrophobicContact CB-CG1 4.43Å; P299-V326 HydrophobicContact CB-CG1 4.33Å; P299-V326 HydrophobicContact CB-CG2 3.96Å; S300-V326 WeakPolarHBondContact O-CG2 3.3Å; D303-V326 HydrophobicContact CB-CG2 4.31Å; A304-V326 HydrophobicContact CB-CB 4.38Å; A304-V326 HydrophobicContact CB-CG2 4.32Å; L324-V326 HydrophobicContact CD2-CG2 4.15Å; L324-V326 HydrophobicContact CG-CG2 4.1Å; V326-S363 WeakPolarHBondContact O-CB 3.5Å; V326-S363 PolarHBondContact O-OG 3.23Å |
| 327 | N | 96.1 | Very high | 88 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123 | 175.1 | -53 | -33.4 | 0 | 0 | 0 | 108.7 | I249 T250 N251 E252 S363 A413 | I249-N327 VanDerWaalsContact CG2-ND2 3.29Å; I249-N327 WeakPolarHBondContact CG2-ND2 3.45Å; T250-N327 PolarHBondContact O-N 3.17Å; T250-N327 PolarHBondContact O-ND2 3.13Å; N251-N327 CarbonylContact C-O 3.54Å; N251-N327 WeakPolarHBondContact OD1-CB 3.42Å; N251-N327 PolarHBondContact OD1-ND2 3.02Å; E252-N327 PolarHBondContact N-O 2.9Å; N327-S363 CarbonylContact C-O 3.59Å; N327-S363 VanDerWaalsContact C-O 3.3Å; N327-S363 WeakPolarHBondContact CA-O 3.43Å; N327-S363 WeakPolarHBondContact CB-O 3.47Å; N327-A413 HydrophobicContact CB-CB 3.79Å |
| 328 | T | 95 | Very high | 86 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 10% | 0.104 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.8 | 179 | 58.8 | 0 | 0 | 0 | 0 | 109.5 | E252 A301 S363 N411 | E252-T328 HydrophobicContact CB-CG2 4.22Å; E252-T328 HydrophobicContact CG-CG2 4.33Å; A301-T328 HydrophobicContact CB-CG2 3.95Å; T328-S363 PolarHBondContact N-O 2.94Å; T328-S363 PolarHBondContact O-N 3.4Å; T328-S363 VanDerWaalsContact O-N 3.16Å; T328-S363 WeakPolarHBondContact OG1-CB 3.38Å; T328-S363 PolarHBondContact OG1-N 2.98Å; T328-N411 PolarHBondContact O-ND2 3.46Å |
| 329 | K | 91.9 | Very high | 84.3 | Confident | 114 Ų | 114 | 71.7 Ų | 71.7 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 152 | -177.7 | 68.6 | 178 | -178.5 | 177.8 | 0 | 111.1 | R331 A413 | K329-R331 PolarHBondContact O-N 2.79Å; K329-A413 HydrophobicContact CB-CB 4.44Å |
| 330 | P | 93.8 | Very high | 82.6 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.019 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 138.7 | -179 | -22.4 | 36 | 0 | 0 | 0 | 111.6 | K361 P366 A409 N411 G414 A416 | P330-K361 CarbonylContact C-O 3.59Å; P330-P366 HydrophobicContact CB-CB 3.96Å; P330-P366 HydrophobicContact CB-CG 4.29Å; P330-P366 HydrophobicContact CG-CB 3.86Å; P330-A409 HydrophobicContact CB-CB 3.96Å; P330-A409 WeakPolarHBondContact CG-O 3.47Å; P330-N411 HydrophobicContact CG-CB 4.35Å; P330-G414 VanDerWaalsContact CD-O 3.23Å; P330-G414 WeakPolarHBondContact CD-O 3.29Å; P330-G414 WeakPolarHBondContact CG-O 3.48Å; P330-A416 HydrophobicContact CB-CB 4.35Å; P330-A416 VanDerWaalsContact O-CB 3.29Å; P330-A416 WeakPolarHBondContact O-CB 3.37Å |
| 331 | R | 90.3 | Very high | 81.2 | Confident | 132 Ų | 132 | 73.8 Ų | 73.8 | 50% | 0.498 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 111.6 | 174.1 | -56.8 | -171.1 | -169.6 | -154.2 | 6.2 | 108.5 | E252 K329 H333 A360 K361 | E252-R331 IonicContact OE1-NH2 3.42Å; E252-R331 PolarHBondContact OE1-NH2 3.11Å; E252-R331 IonicContact OE2-NH2 2.7Å; E252-R331 PolarHBondContact OE2-NH2 3.33Å; K329-R331 PolarHBondContact O-N 2.79Å; R331-H333 PolarHBondContact O-CE1 2.96Å; R331-H333 VanDerWaalsContact O-CE1 3.3Å; R331-H333 PolarHBondContact O-ND1 3.46Å; R331-A360 WeakPolarHBondContact O-CA 3.33Å; R331-K361 PolarHBondContact N-O 2.91Å; R331-K361 PolarHBondContact O-N 3.49Å |
| 332 | I | 88.7 | Confident | 80.4 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 19% | 0.185 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 127.9 | 178.6 | -55.2 | 166.9 | 0 | 0 | 0 | 108.4 | M334 A360 A409 A416 H418 | I332-M334 HydrophobicContact CG2-CE 3.39Å; I332-M334 HydrophobicContact CG2-CG 4.26Å; I332-A360 HydrophobicContact CG1-CB 4.16Å; I332-A409 HydrophobicContact CG1-CB 4.34Å; I332-A416 HydrophobicContact CD1-CB 4.2Å; I332-A416 HydrophobicContact CG1-CB 4.28Å; I332-H418 HydrophobicContact CD1-CB 4.07Å |
| 333 | H | 82.4 | Confident | 79.7 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 42% | 0.421 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133.2 | 178.2 | -63.7 | 65.3 | 0 | 0 | 0 | 109 | R331 E359 | R331-H333 PolarHBondContact O-CE1 2.96Å; R331-H333 VanDerWaalsContact O-CE1 3.3Å; R331-H333 PolarHBondContact O-ND1 3.46Å; H333-E359 PolarHBondContact N-O 3.18Å; H333-E359 PolarHBondContact ND1-O 2.89Å |
| 334 | M | 72.9 | Confident | 79.3 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 22% | 0.217 | 38% | 0.379 | C | S | . | . | trans | -136.3 | 125.9 | -171.2 | -74.4 | -72.4 | 169.7 | 0 | 0 | 111.2 | I332 G336 D357 H418 Y420 | I332-M334 HydrophobicContact CG2-CE 3.39Å; I332-M334 HydrophobicContact CG2-CG 4.26Å; M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.11Å; M334-D357 WeakPolarHBondContact CE-O 3.49Å; M334-D357 HydrophobicContact SD-CB 4.25Å; M334-H418 HydrophobicContact CE-CB 4.06Å; M334-H418 VanDerWaalsContact CE-CD2 3.41Å; M334-H418 WeakPolarHBondContact CE-CD2 3.48Å; M334-Y420 HydrophobicContact CE-CE2 4.24Å; M334-Y420 VanDerWaalsContact CE-OH 3.31Å; M334-Y420 WeakPolarHBondContact CE-OH 3.36Å; M334-Y420 PolarHBondContact SD-OH 2.9Å | ||
| 335 | N | 60.5 | Low | 78.8 | Confident | 170 Ų | 170 | 77 Ų | 77 | 91% | 0.909 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -81.2 | 84.5 | 170.9 | -74.8 | -31.9 | 0 | 0 | 0 | 110.2 | ||
| 336 | G | 57.1 | Low | 78.5 | Confident | 77 Ų | 77 | 77 Ų | 77 | 79% | 0.794 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 139.2 | -21.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | M334 | M334-G336 PolarHBondContact O-N 2.87Å; M334-G336 VanDerWaalsContact O-N 3.11Å |
| 337 | S | 56.5 | Low | 78.1 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 25% | 0.252 | 44% | 0.437 | S | S | . | . | trans | -105.2 | 142.1 | 173.3 | -171.9 | 0 | 0 | 0 | 0 | 112 | N339 | S337-N339 PolarHBondContact OG-N 3.05Å; S337-N339 PolarHBondContact OG-O 3.12Å | ||
| 338 | R | 56 | Low | 77.7 | Confident | 250 Ų | 250 | 81.8 Ų | 81.8 | 94% | 0.943 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -102.6 | -12.4 | 170.9 | -62.9 | -170.6 | -176.5 | -146.8 | 0.4 | 113.5 | ||
| 339 | N | 61.4 | Low | 77.4 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | trans | -121.2 | 127.5 | -178.5 | -69.3 | 10 | 0 | 0 | 0 | 109.8 | S337 V342 | S337-N339 PolarHBondContact OG-N 3.05Å; S337-N339 PolarHBondContact OG-O 3.12Å; N339-V342 HydrophobicContact CB-CG2 4.37Å | ||
| 340 | A | 60 | Low | 77.2 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 48% | 0.479 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -74.4 | -27.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | V342 H418 | A340-V342 PolarHBondContact O-N 3.41Å; A340-H418 PolarHBondContact O-ND1 2.86Å |
| 341 | D | 66.8 | Low | 76.8 | Confident | 124 Ų | 124 | 85.6 Ų | 85.6 | 66% | 0.663 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -71.4 | -28.3 | -173 | -53.9 | -66.1 | 0 | 0 | 0 | 113.9 | P343 R419 | D341-P343 WeakPolarHBondContact O-CD 3.36Å; D341-R419 PolarHBondContact O-NH2 3.43Å |
| 342 | V | 77.1 | Confident | 76.7 | Confident | 88 Ų | 88 | 83 Ų | 83 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -83.9 | 119.1 | -178.2 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | N339 A340 L344 | N339-V342 HydrophobicContact CB-CG2 4.37Å; A340-V342 PolarHBondContact O-N 3.41Å; V342-L344 PolarHBondContact O-N 2.83Å |
| 343 | P | 82.5 | Confident | 76.7 | Confident | 41 Ų | 41 | 86.2 Ų | 86.2 | 27% | 0.266 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 124.7 | 179.3 | -21.6 | 34.2 | 0 | 0 | 0 | 112 | D341 Q345 R419 V421 | D341-P343 WeakPolarHBondContact O-CD 3.36Å; P343-Q345 PolarHBondContact O-N 2.79Å; P343-Q345 PolarHBondContact O-NE2 2.97Å; P343-Q345 VanDerWaalsContact O-NE2 3.12Å; P343-R419 CarbonylContact C-O 3.56Å; P343-R419 VanDerWaalsContact CA-O 3.23Å; P343-R419 WeakPolarHBondContact CA-O 3.47Å; P343-R419 HydrophobicContact CB-CB 4.04Å; P343-R419 HydrophobicContact CG-CB 4.19Å; P343-V421 HydrophobicContact CB-CG2 3.94Å |
| 344 | L | 86.1 | Confident | 77.1 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 34% | 0.34 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 124 | -179.9 | -165.7 | 69.8 | 0 | 0 | 0 | 110.3 | V342 R419 Y420 V421 | V342-L344 PolarHBondContact O-N 2.83Å; L344-R419 PolarHBondContact N-O 2.82Å; L344-Y420 HydrophobicContact CB-CD1 3.97Å; L344-Y420 HydrophobicContact CB-CE1 4.05Å; L344-Y420 HydrophobicContact CD2-CD1 4.4Å; L344-Y420 HydrophobicContact CD2-CE1 3.77Å; L344-Y420 HydrophobicContact CG-CE1 4.42Å; L344-Y420 WeakPolarHBondContact O-CA 3.16Å; L344-V421 PolarHBondContact O-N 2.98Å |
| 345 | Q | 86.9 | Confident | 78 | Confident | 126 Ų | 126 | 83.1 Ų | 83.1 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.4 | 176.7 | -56 | -58.3 | -62.7 | 0 | 0 | 109.3 | P343 | P343-Q345 PolarHBondContact O-N 2.79Å; P343-Q345 PolarHBondContact O-NE2 2.97Å; P343-Q345 VanDerWaalsContact O-NE2 3.12Å |
| 346 | V | 89.2 | Confident | 79.4 | Confident | 30 Ų | 30 | 75 Ų | 75 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.8 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | V354 L356 Y420 V421 L422 G423 | V346-V354 HydrophobicContact CG1-CG1 3.9Å; V346-L356 HydrophobicContact CB-CD2 4.2Å; V346-L356 HydrophobicContact CG1-CD2 4.1Å; V346-L356 HydrophobicContact CG2-CD2 4Å; V346-Y420 HydrophobicContact CG2-CD1 3.75Å; V346-Y420 HydrophobicContact CG2-CE1 4.08Å; V346-V421 PolarHBondContact N-O 2.9Å; V346-L422 HydrophobicContact CB-CD1 4.26Å; V346-L422 HydrophobicContact CG1-CD1 3.94Å; V346-L422 WeakPolarHBondContact O-CA 3.4Å; V346-G423 PolarHBondContact O-N 2.94Å |
| 347 | T | 89 | Confident | 80.9 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 68% | 0.681 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.1 | -180 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | G423 | T347-G423 WeakPolarHBondContact CA-O 3.3Å |
| 348 | A | 88.4 | Confident | 82.5 | Confident | 6 Ų | 6 | 72.8 Ų | 72.8 | 5% | 0.05 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 160.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V354 G423 V424 Q425 | A348-V354 HydrophobicContact CB-CG2 3.34Å; A348-G423 PolarHBondContact N-O 3.19Å; A348-G423 VanDerWaalsContact N-O 3.15Å; A348-V424 CarbonylContact O-C 3.47Å; A348-V424 WeakPolarHBondContact O-CA 3.45Å; A348-Q425 PolarHBondContact O-N 2.72Å |
| 349 | K | 88.3 | Confident | 84.2 | Confident | 113 Ų | 113 | 64.8 Ų | 64.8 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 151.5 | 173 | -49.4 | -175.4 | -155.4 | 81 | 0 | 110.5 | G351 E352 | K349-G351 PolarHBondContact O-N 3.4Å; K349-E352 HydrophobicContact CB-CG 4.09Å; K349-E352 WeakPolarHBondContact CD-OE1 3.15Å; K349-E352 WeakPolarHBondContact CG-OE1 3.28Å; K349-E352 PolarHBondContact N-OE2 3.09Å; K349-E352 IonicContact NZ-OE1 3.85Å; K349-E352 PolarHBondContact NZ-OE1 3.01Å; K349-E352 IonicContact NZ-OE2 2.77Å; K349-E352 WeakPolarHBondContact O-CB 3.5Å; K349-E352 PolarHBondContact O-N 2.98Å |
| 350 | A | 88.1 | Confident | 85.6 | Confident | 48 Ų | 48 | 61 Ų | 61 | 40% | 0.397 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 124.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | V397 V424 Q425 | A350-V397 CarbonylContact C-O 3.58Å; A350-V397 VanDerWaalsContact CA-O 3.3Å; A350-V397 WeakPolarHBondContact CA-O 3.49Å; A350-V424 HydrophobicContact CB-CG1 4.41Å; A350-Q425 PolarHBondContact N-O 2.81Å |
| 351 | G | 84.4 | Confident | 87.1 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -10.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K349 V397 | K349-G351 PolarHBondContact O-N 3.4Å; G351-V397 PolarHBondContact N-O 3.21Å |
| 352 | E | 88.6 | Confident | 88.2 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 36% | 0.355 | 33% | 0.331 | S | S | . | . | trans | -72.2 | 170.9 | 170.9 | -67.7 | 175.1 | 170.3 | 0 | 0 | 111.2 | K349 Q396 V397 | K349-E352 HydrophobicContact CB-CG 4.09Å; K349-E352 WeakPolarHBondContact CD-OE1 3.15Å; K349-E352 WeakPolarHBondContact CG-OE1 3.28Å; K349-E352 PolarHBondContact N-OE2 3.09Å; K349-E352 IonicContact NZ-OE1 3.85Å; K349-E352 PolarHBondContact NZ-OE1 3.01Å; K349-E352 IonicContact NZ-OE2 2.77Å; K349-E352 WeakPolarHBondContact O-CB 3.5Å; K349-E352 PolarHBondContact O-N 2.98Å; E352-Q396 PolarHBondContact O-N 3.03Å; E352-V397 WeakPolarHBondContact O-CG2 3.23Å; E352-V397 PolarHBondContact O-N 3.48Å | ||
| 353 | E | 89.8 | Confident | 89 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | trans | -107.4 | 137.3 | 173.1 | 179 | 169.7 | 129.9 | 0 | 0 | 109.8 | R393 L394 | E353-R393 VanDerWaalsContact CD-NH2 3.35Å; E353-R393 HydrophobicContact CG-CG 4.35Å; E353-R393 IonicContact OE1-CZ 3.71Å; E353-R393 IonicContact OE1-NE 2.83Å; E353-R393 PolarHBondContact OE1-NE 2.97Å; E353-R393 IonicContact OE1-NH2 2.66Å; E353-R393 PolarHBondContact OE1-NH2 3.28Å; E353-R393 IonicContact OE2-CZ 3.19Å; E353-R393 IonicContact OE2-NE 3.73Å; E353-R393 PolarHBondContact OE2-NE 2.9Å; E353-R393 IonicContact OE2-NH2 3.94Å; E353-R393 PolarHBondContact OE2-NH2 2.03Å; E353-L394 WeakPolarHBondContact CA-O 3.29Å | ||
| 354 | V | 90.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 57 Ų | 57 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.9 | -180 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | V346 A348 L356 R393 L394 V397 L422 | V346-V354 HydrophobicContact CG1-CG1 3.9Å; A348-V354 HydrophobicContact CB-CG2 3.34Å; V354-L356 HydrophobicContact CG1-CD2 3.63Å; V354-L356 HydrophobicContact CG1-CG 4.15Å; V354-R393 CarbonylContact O-C 3.52Å; V354-R393 WeakPolarHBondContact O-CA 3.14Å; V354-L394 PolarHBondContact N-O 3.11Å; V354-L394 PolarHBondContact O-N 2.83Å; V354-V397 HydrophobicContact CB-CG2 4.01Å; V354-V397 HydrophobicContact CG2-CG2 3.82Å; V354-L422 HydrophobicContact CG1-CD1 4.25Å; V354-L422 HydrophobicContact CG2-CD1 4.37Å |
| 355 | T | 91 | Very high | 89.9 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.8 | 163.9 | -61.7 | 0 | 0 | 0 | 0 | 108.8 | L387 L392 | T355-L387 HydrophobicContact CG2-CD1 3.9Å; T355-L392 CarbonylContact C-O 3.54Å; T355-L392 WeakPolarHBondContact CA-O 3.36Å |
| 356 | L | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.6 | 170.2 | -52.8 | -179.3 | 0 | 0 | 0 | 107 | V346 V354 W370 S391 L392 L394 Y405 Y420 | V346-L356 HydrophobicContact CB-CD2 4.2Å; V346-L356 HydrophobicContact CG1-CD2 4.1Å; V346-L356 HydrophobicContact CG2-CD2 4Å; V354-L356 HydrophobicContact CG1-CD2 3.63Å; V354-L356 HydrophobicContact CG1-CG 4.15Å; L356-W370 HydrophobicContact CB-CH2 3.4Å; L356-W370 HydrophobicContact CB-CZ2 4.25Å; L356-W370 HydrophobicContact CB-CZ3 3.82Å; L356-W370 HydrophobicContact CD1-CH2 4.47Å; L356-W370 HydrophobicContact CD1-CZ3 4.03Å; L356-W370 WeakPolarHBondContact O-CH2 3.42Å; L356-W370 VanDerWaalsContact O-CZ2 3.24Å; L356-W370 WeakPolarHBondContact O-CZ2 3.44Å; L356-S391 CarbonylContact O-C 3.55Å; L356-S391 VanDerWaalsContact O-CA 3.29Å; L356-S391 WeakPolarHBondContact O-CA 3.36Å; L356-S391 WeakPolarHBondContact O-CB 3.5Å; L356-L392 PolarHBondContact N-O 3.07Å; L356-L392 PolarHBondContact O-N 2.87Å; L356-L394 HydrophobicContact CD1-CD1 4.08Å; L356-L394 HydrophobicContact CG-CD1 4.08Å; L356-Y405 HydrophobicContact CD1-CD1 4.03Å; L356-Y405 HydrophobicContact CD1-CD2 4.06Å; L356-Y405 HydrophobicContact CD1-CG 3.66Å; L356-Y420 HydrophobicContact CB-CD1 4.37Å; L356-Y420 HydrophobicContact CB-CD2 4.33Å; L356-Y420 HydrophobicContact CB-CE1 4.24Å; L356-Y420 HydrophobicContact CB-CE2 4.23Å; L356-Y420 HydrophobicContact CB-CG 4.41Å; L356-Y420 HydrophobicContact CD1-CG 4.38Å; L356-Y420 HydrophobicContact CD2-CD1 3.78Å; L356-Y420 HydrophobicContact CD2-CE1 4.12Å; L356-Y420 HydrophobicContact CD2-CG 4.24Å |
| 357 | D | 89 | Confident | 90.3 | Very high | 65 Ų | 65 | 58.7 Ų | 58.7 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | trans | -76.2 | 151.5 | -173.1 | -80.7 | -43 | 0 | 0 | 0 | 114 | M334 S391 Y420 | M334-D357 WeakPolarHBondContact CE-O 3.49Å; M334-D357 HydrophobicContact SD-CB 4.25Å; D357-S391 WeakPolarHBondContact CA-OG 3.49Å; D357-S391 WeakPolarHBondContact OD1-CB 3.29Å; D357-S391 PolarHBondContact OD1-OG 2.72Å; D357-Y420 PolarHBondContact N-OH 2.83Å; D357-Y420 VanDerWaalsContact N-OH 3.09Å; D357-Y420 WeakPolarHBondContact O-CE2 3.19Å; D357-Y420 PolarHBondContact O-OH 3.1Å | ||
| 358 | C | 89.6 | Confident | 90.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -158.2 | 50.6 | 168.8 | -160.4 | 0 | 0 | 0 | 0 | 112.1 | A360 V368 W370 S391 C407 | C358-A360 PolarHBondContact O-N 3.3Å; C358-V368 HydrophobicContact CB-CG1 4.02Å; C358-W370 HydrophobicContact CB-CH2 4.38Å; C358-W370 HydrophobicContact CB-CZ2 3.61Å; C358-S391 PolarHBondContact N-OG 2.86Å; C358-C407 HydrophobicContact CB-CB 3.57Å; C358-C407 WeakPolarHBondContact CB-SG 3.24Å; C358-C407 WeakPolarHBondContact SG-CB 3.44Å; C358-C407 CovalentContact SG-SG 2.04Å; C358-C407 PolarHBondContact SG-SG 3.45Å | ||
| 359 | E | 90.8 | Very high | 90.7 | Very high | 83 Ų | 83 | 57.1 Ų | 57.1 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 91.9 | 180 | -160.8 | -159.1 | 131.8 | 0 | 0 | 111.3 | H333 K361 S389 | H333-E359 PolarHBondContact N-O 3.18Å; H333-E359 PolarHBondContact ND1-O 2.89Å; E359-K361 VanDerWaalsContact OE1-CE 3.31Å; E359-K361 WeakPolarHBondContact OE1-CE 3.24Å; E359-K361 IonicContact OE1-NZ 2.73Å; E359-K361 PolarHBondContact OE1-NZ 2.99Å; E359-S389 WeakPolarHBondContact CA-O 3.45Å |
| 360 | A | 91 | Very high | 90.9 | Very high | 17 Ų | 17 | 52.6 Ų | 52.6 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R331 I332 C358 P366 V368 A409 | R331-A360 WeakPolarHBondContact O-CA 3.33Å; I332-A360 HydrophobicContact CG1-CB 4.16Å; C358-A360 PolarHBondContact O-N 3.3Å; A360-P366 HydrophobicContact CB-CG 3.65Å; A360-P366 WeakPolarHBondContact O-CG 3.3Å; A360-V368 HydrophobicContact CB-CG2 4.06Å; A360-A409 HydrophobicContact CB-CB 3.35Å |
| 361 | K | 90.9 | Very high | 91.1 | Very high | 109 Ų | 109 | 52 Ų | 52 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.9 | 172.3 | -61 | -173.7 | 171.4 | 91 | 0 | 110.4 | P330 R331 E359 | P330-K361 CarbonylContact C-O 3.59Å; R331-K361 PolarHBondContact N-O 2.91Å; R331-K361 PolarHBondContact O-N 3.49Å; E359-K361 VanDerWaalsContact OE1-CE 3.31Å; E359-K361 WeakPolarHBondContact OE1-CE 3.24Å; E359-K361 IonicContact OE1-NZ 2.73Å; E359-K361 PolarHBondContact OE1-NZ 2.99Å |
| 362 | G | 91.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | 169.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P364 | G362-P364 CarbonylContact C-O 3.59Å; G362-P364 CarbonylContact O-C 3.53Å |
| 363 | S | 93.4 | Very high | 91.5 | Very high | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.1 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 109.2 | V326 N327 T328 N411 | V326-S363 WeakPolarHBondContact O-CB 3.5Å; V326-S363 PolarHBondContact O-OG 3.23Å; N327-S363 CarbonylContact C-O 3.59Å; N327-S363 VanDerWaalsContact C-O 3.3Å; N327-S363 WeakPolarHBondContact CA-O 3.43Å; N327-S363 WeakPolarHBondContact CB-O 3.47Å; T328-S363 PolarHBondContact N-O 2.94Å; T328-S363 PolarHBondContact O-N 3.4Å; T328-S363 VanDerWaalsContact O-N 3.16Å; T328-S363 WeakPolarHBondContact OG1-CB 3.38Å; T328-S363 PolarHBondContact OG1-N 2.98Å; S363-N411 PolarHBondContact O-ND2 3.08Å |
| 364 | P | 94.8 | Very high | 91.5 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | S | Bend | cis | -52.9 | 164.5 | -18 | -23.1 | 33.9 | 0 | 0 | 0 | 113.2 | G362 N411 P412 | G362-P364 CarbonylContact C-O 3.59Å; G362-P364 CarbonylContact O-C 3.53Å; P364-N411 PolarHBondContact O-ND2 2.7Å; P364-P412 HydrophobicContact CG-CG 4.47Å |
| 365 | P | 92.7 | Very high | 91.4 | Very high | 115 Ų | 115 | 60.5 Ų | 60.5 | 75% | 0.747 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 131.1 | 175.1 | -26.8 | 35.6 | 0 | 0 | 0 | 111.6 | ||
| 366 | P | 93.2 | Very high | 91.3 | Very high | 23 Ų | 23 | 62.8 Ų | 62.8 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 145.1 | -172.7 | 30.9 | -35 | 0 | 0 | 0 | 113 | P330 A360 A409 S410 N411 | P330-P366 HydrophobicContact CB-CB 3.96Å; P330-P366 HydrophobicContact CB-CG 4.29Å; P330-P366 HydrophobicContact CG-CB 3.86Å; A360-P366 HydrophobicContact CB-CG 3.65Å; A360-P366 WeakPolarHBondContact O-CG 3.3Å; P366-A409 HydrophobicContact CB-CB 4.18Å; P366-S410 CarbonylContact C-O 3.51Å; P366-S410 VanDerWaalsContact CA-O 3.24Å; P366-S410 WeakPolarHBondContact CA-O 3.32Å; P366-N411 HydrophobicContact CB-CB 4.45Å |
| 367 | L | 92.4 | Very high | 91 | Very high | 119 Ų | 119 | 64 Ų | 64 | 62% | 0.623 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121.8 | 166 | 179.2 | 62 | 0 | 0 | 0 | 108.7 | T369 A409 S410 | L367-T369 HydrophobicContact CD2-CG2 4.48Å; L367-T369 HydrophobicContact CG-CG2 4.27Å; L367-A409 CarbonylContact O-C 3.52Å; L367-A409 WeakPolarHBondContact O-CA 3.31Å; L367-S410 PolarHBondContact N-O 3.2Å; L367-S410 PolarHBondContact O-N 3.02Å |
| 368 | V | 91.9 | Very high | 90 | Very high | 20 Ų | 20 | 64.8 Ų | 64.8 | 12% | 0.121 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.5 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | C358 A360 G390 A409 | C358-V368 HydrophobicContact CB-CG1 4.02Å; A360-V368 HydrophobicContact CB-CG2 4.06Å; V368-G390 WeakPolarHBondContact CG1-O 3.3Å; V368-A409 HydrophobicContact CG2-CB 4.08Å |
| 369 | T | 91.9 | Very high | 88.8 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 40% | 0.399 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.3 | 179 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | L367 C407 T408 | L367-T369 HydrophobicContact CD2-CG2 4.48Å; L367-T369 HydrophobicContact CG-CG2 4.27Å; T369-C407 CarbonylContact O-C 3.58Å; T369-C407 VanDerWaalsContact O-CA 3.31Å; T369-C407 WeakPolarHBondContact O-CA 3.29Å; T369-T408 PolarHBondContact N-O 2.87Å; T369-T408 PolarHBondContact O-N 3.39Å; T369-T408 PolarHBondContact OG1-O 2.86Å |
| 370 | W | 92.9 | Very high | 87.6 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 7% | 0.068 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.1 | -179 | -75.5 | 86.4 | 0 | 0 | 0 | 111.9 | L356 C358 V377 G390 L392 E406 C407 Y420 | L356-W370 HydrophobicContact CB-CH2 3.4Å; L356-W370 HydrophobicContact CB-CZ2 4.25Å; L356-W370 HydrophobicContact CB-CZ3 3.82Å; L356-W370 HydrophobicContact CD1-CH2 4.47Å; L356-W370 HydrophobicContact CD1-CZ3 4.03Å; L356-W370 WeakPolarHBondContact O-CH2 3.42Å; L356-W370 VanDerWaalsContact O-CZ2 3.24Å; L356-W370 WeakPolarHBondContact O-CZ2 3.44Å; C358-W370 HydrophobicContact CB-CH2 4.38Å; C358-W370 HydrophobicContact CB-CZ2 3.61Å; W370-V377 HydrophobicContact CB-CB 4.29Å; W370-V377 HydrophobicContact CB-CG2 3.85Å; W370-V377 PolarHBondContact O-N 3.32Å; W370-G390 PolarHBondContact NE1-O 2.84Å; W370-L392 HydrophobicContact CB-CD2 4.29Å; W370-L392 HydrophobicContact CD2-CB 3.67Å; W370-L392 HydrophobicContact CD2-CD2 3.93Å; W370-L392 HydrophobicContact CD2-CG 4.38Å; W370-L392 VanDerWaalsContact CE2-CB 3.42Å; W370-L392 HydrophobicContact CE3-CB 4.14Å; W370-L392 HydrophobicContact CE3-CD2 3.94Å; W370-L392 HydrophobicContact CG-CB 4.09Å; W370-L392 HydrophobicContact CG-CD2 4.11Å; W370-L392 HydrophobicContact CH2-CB 4.16Å; W370-L392 HydrophobicContact CZ2-CB 3.68Å; W370-L392 HydrophobicContact CZ3-CB 4.37Å; W370-E406 WeakPolarHBondContact CA-O 3.47Å; W370-C407 HydrophobicContact CD2-CB 3.6Å; W370-C407 VanDerWaalsContact CE2-CB 3.43Å; W370-C407 HydrophobicContact CE3-CB 3.74Å; W370-C407 HydrophobicContact CG-CB 4.35Å; W370-C407 HydrophobicContact CH2-CB 3.63Å; W370-C407 HydrophobicContact CZ2-CB 3.48Å; W370-C407 VanDerWaalsContact CZ2-CB 3.48Å; W370-C407 HydrophobicContact CZ3-CB 3.76Å; W370-Y420 HydrophobicContact CH2-CD2 4.03Å; W370-Y420 AromaticContact CH2-CE2 3.8Å; W370-Y420 HydrophobicContact CH2-CE2 3.8Å; W370-Y420 AromaticContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CE2 4.21Å |
| 371 | T | 92.4 | Very high | 86.7 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 22% | 0.221 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.9 | 166.5 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | R375 Y405 E406 | T371-R375 CarbonylContact C-O 3.51Å; T371-R375 WeakPolarHBondContact CA-O 3.45Å; T371-R375 VanDerWaalsContact CB-O 3.23Å; T371-R375 WeakPolarHBondContact CB-O 3.46Å; T371-Y405 WeakPolarHBondContact O-CA 3.19Å; T371-E406 PolarHBondContact N-O 2.9Å; T371-E406 PolarHBondContact O-N 2.99Å |
| 372 | K | 91.6 | Very high | 85.7 | Confident | 40 Ų | 40 | 78 Ų | 78 | 17% | 0.174 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.4 | 164.5 | -171.4 | -165.6 | -171.2 | -92.4 | 0 | 108.2 | S374 R375 V377 G400 D401 S402 H404 Y405 | K372-S374 PolarHBondContact O-N 3.38Å; K372-R375 PolarHBondContact N-O 2.99Å; K372-R375 PolarHBondContact O-N 2.78Å; K372-V377 HydrophobicContact CB-CG2 4.28Å; K372-G400 PolarHBondContact NZ-O 3.42Å; K372-D401 WeakPolarHBondContact CE-O 3.3Å; K372-S402 WeakPolarHBondContact CE-O 3.35Å; K372-S402 PolarHBondContact NZ-O 3.01Å; K372-H404 CarbonylContact C-O 3.2Å; K372-H404 WeakPolarHBondContact CA-O 3.44Å; K372-Y405 HydrophobicContact CB-CD1 4.02Å; K372-Y405 HydrophobicContact CB-CE1 3.79Å; K372-Y405 HydrophobicContact CD-CE1 4Å; K372-Y405 HydrophobicContact CD-CE2 4.01Å; K372-Y405 VanDerWaalsContact CD-OH 3.29Å; K372-Y405 WeakPolarHBondContact CD-OH 3.15Å; K372-Y405 WeakPolarHBondContact CE-OH 3.36Å; K372-Y405 HydrophobicContact CG-CD1 4.15Å; K372-Y405 HydrophobicContact CG-CD2 4.22Å; K372-Y405 HydrophobicContact CG-CE1 3.76Å; K372-Y405 HydrophobicContact CG-CE2 3.81Å; K372-Y405 HydrophobicContact CG-CG 4.37Å |
| 373 | D | 89.8 | Confident | 85 | Confident | 68 Ų | 68 | 80 Ų | 80 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 46.7 | 178.8 | -55.3 | -53.1 | 0 | 0 | 0 | 111.7 | R375 H404 | D373-R375 VanDerWaalsContact C-N 3.25Å; D373-R375 PolarHBondContact O-N 2.9Å; D373-H404 PolarHBondContact N-O 3.29Å; D373-H404 IonicContact OD1-CG 3.97Å; D373-H404 PolarHBondContact OD1-N 3.18Å; D373-H404 IonicContact OD1-ND1 3.42Å; D373-H404 PolarHBondContact OD1-ND1 3.23Å |
| 374 | S | 89.1 | Confident | 84.5 | Confident | 118 Ų | 118 | 79.2 Ų | 79.2 | 83% | 0.825 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 12.4 | -175.4 | -50.9 | 0 | 0 | 0 | 0 | 116.8 | K372 | K372-S374 PolarHBondContact O-N 3.38Š|
| 375 | R | 89.6 | Confident | 84 | Confident | 195 Ų | 195 | 77.6 Ų | 77.6 | 74% | 0.736 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.1 | 174.9 | -60.1 | -176 | 179.9 | -141.3 | -2.8 | 110.8 | T371 K372 D373 V377 | T371-R375 CarbonylContact C-O 3.51Å; T371-R375 WeakPolarHBondContact CA-O 3.45Å; T371-R375 VanDerWaalsContact CB-O 3.23Å; T371-R375 WeakPolarHBondContact CB-O 3.46Å; K372-R375 PolarHBondContact N-O 2.99Å; K372-R375 PolarHBondContact O-N 2.78Å; D373-R375 VanDerWaalsContact C-N 3.25Å; D373-R375 PolarHBondContact O-N 2.9Å; R375-V377 PolarHBondContact O-N 2.77Å |
| 376 | P | 88.3 | Confident | 83.7 | Confident | 110 Ų | 110 | 76 Ų | 76 | 71% | 0.714 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 135.4 | 175 | -25.7 | 34.8 | 0 | 0 | 0 | 111.8 | ||
| 377 | V | 84.9 | Confident | 83.4 | Confident | 26 Ų | 26 | 77.7 Ų | 77.7 | 16% | 0.158 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 133.9 | 171 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | W370 K372 R375 Y384 L392 Y405 | W370-V377 HydrophobicContact CB-CB 4.29Å; W370-V377 HydrophobicContact CB-CG2 3.85Å; W370-V377 PolarHBondContact O-N 3.32Å; K372-V377 HydrophobicContact CB-CG2 4.28Å; R375-V377 PolarHBondContact O-N 2.77Å; V377-Y384 HydrophobicContact CG1-CD1 3.51Å; V377-Y384 HydrophobicContact CG1-CE1 3.94Å; V377-Y384 HydrophobicContact CG1-CG 4.16Å; V377-L392 HydrophobicContact CG1-CD1 4.47Å; V377-L392 HydrophobicContact CG1-CD2 4.49Å; V377-L392 HydrophobicContact CG2-CD2 4.24Å; V377-Y405 HydrophobicContact CG2-CD1 4.48Å; V377-Y405 HydrophobicContact CG2-CE1 4.45Å |
| 378 | P | 68.4 | Low | 83 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 153.6 | 179.9 | -28.3 | 36.2 | 0 | 0 | 0 | 113.4 | ||
| 379 | P | 63.8 | Low | 82.6 | Confident | 118 Ų | 118 | 80.2 Ų | 80.2 | 77% | 0.766 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -57 | 154.4 | 176.8 | 25.8 | -35.5 | 0 | 0 | 0 | 111.6 | T381 | P379-T381 WeakPolarHBondContact O-CG2 3.39Å; P379-T381 PolarHBondContact O-N 2.79Å |
| 380 | I | 65.4 | Low | 82.4 | Confident | 133 Ų | 133 | 77.4 Ų | 77.4 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -41.4 | 119.7 | -167.8 | -60.4 | 171.1 | 0 | 0 | 0 | 112.2 | Y384 | I380-Y384 WeakPolarHBondContact CA-O 3.48Š|
| 381 | T | 72.7 | Confident | 82.3 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | trans | -120.8 | 170.8 | 177 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | P379 R383 Y384 | P379-T381 WeakPolarHBondContact O-CG2 3.39Å; P379-T381 PolarHBondContact O-N 2.79Å; T381-R383 PolarHBondContact O-N 2.89Å; T381-R383 PolarHBondContact OG1-N 3.34Å; T381-Y384 PolarHBondContact N-O 2.86Å; T381-Y384 CarbonylContact O-C 3.52Å; T381-Y384 PolarHBondContact O-N 3.37Å; T381-Y384 VanDerWaalsContact O-O 3.09Å; T381-Y384 PolarHBondContact OG1-N 3.42Å | ||
| 382 | N | 69 | Low | 82.2 | Confident | 170 Ų | 170 | 75.2 Ų | 75.2 | 91% | 0.909 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -64.6 | -6.3 | 174.5 | -147.1 | 27.5 | 0 | 0 | 0 | 114 | ||
| 383 | R | 77.5 | Confident | 82.2 | Confident | 64 Ų | 64 | 78 Ų | 78 | 24% | 0.242 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -109.9 | -27.3 | 169.9 | -56 | -153.2 | -49.6 | 116.3 | 2.4 | 114.2 | T381 L394 A395 Q396 D401 | T381-R383 PolarHBondContact O-N 2.89Å; T381-R383 PolarHBondContact OG1-N 3.34Å; R383-L394 CarbonylContact O-C 3.57Å; R383-L394 WeakPolarHBondContact O-CA 3.31Å; R383-A395 PolarHBondContact O-N 3.38Å; R383-Q396 PolarHBondContact NH1-O 2.77Å; R383-D401 IonicContact CZ-OD1 3.62Å; R383-D401 IonicContact CZ-OD2 3.67Å; R383-D401 IonicContact NH1-OD1 2.7Å; R383-D401 IonicContact NH1-OD2 3.18Å; R383-D401 PolarHBondContact NH1-OD2 2.89Å; R383-D401 IonicContact NH2-OD1 3.66Å; R383-D401 PolarHBondContact NH2-OD1 2.85Å; R383-D401 IonicContact NH2-OD2 3.76Å; R383-D401 PolarHBondContact NH2-OD2 2.98Å |
| 384 | Y | 82.6 | Confident | 82.2 | Confident | 27 Ų | 27 | 74.8 Ų | 74.8 | 11% | 0.106 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 104.5 | -176.8 | -76.7 | -92.4 | 0 | 0 | 0 | 110.1 | V377 I380 T381 L392 L394 D401 Y405 | V377-Y384 HydrophobicContact CG1-CD1 3.51Å; V377-Y384 HydrophobicContact CG1-CE1 3.94Å; V377-Y384 HydrophobicContact CG1-CG 4.16Å; I380-Y384 WeakPolarHBondContact CA-O 3.48Å; T381-Y384 PolarHBondContact N-O 2.86Å; T381-Y384 CarbonylContact O-C 3.52Å; T381-Y384 PolarHBondContact O-N 3.37Å; T381-Y384 VanDerWaalsContact O-O 3.09Å; T381-Y384 PolarHBondContact OG1-N 3.42Å; Y384-L392 HydrophobicContact CD1-CD1 4.32Å; Y384-L392 HydrophobicContact CD1-CD2 4.47Å; Y384-L394 HydrophobicContact CD1-CD2 4.29Å; Y384-L394 HydrophobicContact CD1-CG 4.14Å; Y384-L394 HydrophobicContact CE1-CD2 3.54Å; Y384-L394 HydrophobicContact CE1-CG 3.89Å; Y384-D401 PolarHBondContact OH-OD1 2.83Å; Y384-Y405 HydrophobicContact CE1-CE1 4.2Å; Y384-Y405 PolarHBondContact OH-OH 2.88Å; Y384-Y405 VanDerWaalsContact OH-OH 3.07Å |
| 385 | G | 83.8 | Confident | 82.1 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 19% | 0.186 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R393 | G385-R393 PolarHBondContact N-O 2.79Å; G385-R393 WeakPolarHBondContact O-CB 3.47Å; G385-R393 PolarHBondContact O-N 2.7Å |
| 386 | L | 86.4 | Confident | 82 | Confident | 81 Ų | 81 | 67.2 Ų | 67.2 | 42% | 0.424 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.3 | 168.9 | -169.7 | 68 | 0 | 0 | 0 | 108.8 | G390 | L386-G390 WeakPolarHBondContact CD1-O 3.02Å |
| 387 | L | 86.7 | Confident | 82 | Confident | 60 Ų | 60 | 62 Ų | 62 | 31% | 0.314 | 35% | 0.345 | S | S | . | . | trans | -79.7 | 156.7 | 176.5 | -63.5 | 179.4 | 0 | 0 | 0 | 110.8 | T355 S389 G390 S391 R393 | T355-L387 HydrophobicContact CG2-CD1 3.9Å; L387-S389 PolarHBondContact O-N 2.88Å; L387-G390 PolarHBondContact O-N 2.99Å; L387-S391 WeakPolarHBondContact CB-O 3.29Å; L387-S391 PolarHBondContact N-O 3.29Å; L387-R393 HydrophobicContact CD1-CB 4.4Å; L387-R393 HydrophobicContact CD2-CB 4.41Å; L387-R393 HydrophobicContact CG-CB 4.21Å | ||
| 388 | P | 84.5 | Confident | 82.1 | Confident | 144 Ų | 144 | 65.8 Ų | 65.8 | 94% | 0.935 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -17.1 | 177.8 | -25.9 | 35.7 | 0 | 0 | 0 | 115.2 | G390 | P388-G390 VanDerWaalsContact C-N 3.29Š|
| 389 | S | 84 | Confident | 83 | Confident | 47 Ų | 47 | 66 Ų | 66 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -14.7 | 171.3 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | E359 L387 S391 | E359-S389 WeakPolarHBondContact CA-O 3.45Å; L387-S389 PolarHBondContact O-N 2.88Å; S389-S391 VanDerWaalsContact OG-CB 3.28Å; S389-S391 WeakPolarHBondContact OG-CB 3.46Å; S389-S391 PolarHBondContact OG-N 2.86Å; S389-S391 VanDerWaalsContact OG-N 3.15Å; S389-S391 PolarHBondContact OG-OG 2.86Å |
| 390 | G | 86.9 | Confident | 84 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 88.6 | -6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V368 W370 L386 L387 P388 | V368-G390 WeakPolarHBondContact CG1-O 3.3Å; W370-G390 PolarHBondContact NE1-O 2.84Å; L386-G390 WeakPolarHBondContact CD1-O 3.02Å; L387-G390 PolarHBondContact O-N 2.99Å; P388-G390 VanDerWaalsContact C-N 3.29Å |
| 391 | S | 90.6 | Very high | 85.1 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 140.9 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | L356 D357 C358 L387 S389 | L356-S391 CarbonylContact O-C 3.55Å; L356-S391 VanDerWaalsContact O-CA 3.29Å; L356-S391 WeakPolarHBondContact O-CA 3.36Å; L356-S391 WeakPolarHBondContact O-CB 3.5Å; D357-S391 WeakPolarHBondContact CA-OG 3.49Å; D357-S391 WeakPolarHBondContact OD1-CB 3.29Å; D357-S391 PolarHBondContact OD1-OG 2.72Å; C358-S391 PolarHBondContact N-OG 2.86Å; L387-S391 WeakPolarHBondContact CB-O 3.29Å; L387-S391 PolarHBondContact N-O 3.29Å; S389-S391 VanDerWaalsContact OG-CB 3.28Å; S389-S391 WeakPolarHBondContact OG-CB 3.46Å; S389-S391 PolarHBondContact OG-N 2.86Å; S389-S391 VanDerWaalsContact OG-N 3.15Å; S389-S391 PolarHBondContact OG-OG 2.86Å |
| 392 | L | 91.1 | Very high | 85.9 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.9 | 177.9 | -179.1 | 66.7 | 0 | 0 | 0 | 110.9 | T355 L356 W370 V377 Y384 L394 Y405 | T355-L392 CarbonylContact C-O 3.54Å; T355-L392 WeakPolarHBondContact CA-O 3.36Å; L356-L392 PolarHBondContact N-O 3.07Å; L356-L392 PolarHBondContact O-N 2.87Å; W370-L392 HydrophobicContact CB-CD2 4.29Å; W370-L392 HydrophobicContact CD2-CB 3.67Å; W370-L392 HydrophobicContact CD2-CD2 3.93Å; W370-L392 HydrophobicContact CD2-CG 4.38Å; W370-L392 VanDerWaalsContact CE2-CB 3.42Å; W370-L392 HydrophobicContact CE3-CB 4.14Å; W370-L392 HydrophobicContact CE3-CD2 3.94Å; W370-L392 HydrophobicContact CG-CB 4.09Å; W370-L392 HydrophobicContact CG-CD2 4.11Å; W370-L392 HydrophobicContact CH2-CB 4.16Å; W370-L392 HydrophobicContact CZ2-CB 3.68Å; W370-L392 HydrophobicContact CZ3-CB 4.37Å; V377-L392 HydrophobicContact CG1-CD1 4.47Å; V377-L392 HydrophobicContact CG1-CD2 4.49Å; V377-L392 HydrophobicContact CG2-CD2 4.24Å; Y384-L392 HydrophobicContact CD1-CD1 4.32Å; Y384-L392 HydrophobicContact CD1-CD2 4.47Å; L392-L394 HydrophobicContact CD2-CD1 4.04Å; L392-L394 HydrophobicContact CG-CD1 3.92Å; L392-Y405 HydrophobicContact CD2-CD1 3.92Å; L392-Y405 HydrophobicContact CD2-CE1 4.06Å |
| 393 | R | 90.8 | Very high | 87 | Confident | 99 Ų | 99 | 48.8 Ų | 48.8 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.4 | 175.1 | 178.8 | 179.7 | 174.1 | -112.5 | -4.8 | 110.2 | E353 V354 G385 L387 | E353-R393 VanDerWaalsContact CD-NH2 3.35Å; E353-R393 HydrophobicContact CG-CG 4.35Å; E353-R393 IonicContact OE1-CZ 3.71Å; E353-R393 IonicContact OE1-NE 2.83Å; E353-R393 PolarHBondContact OE1-NE 2.97Å; E353-R393 IonicContact OE1-NH2 2.66Å; E353-R393 PolarHBondContact OE1-NH2 3.28Å; E353-R393 IonicContact OE2-CZ 3.19Å; E353-R393 IonicContact OE2-NE 3.73Å; E353-R393 PolarHBondContact OE2-NE 2.9Å; E353-R393 IonicContact OE2-NH2 3.94Å; E353-R393 PolarHBondContact OE2-NH2 2.03Å; V354-R393 CarbonylContact O-C 3.52Å; V354-R393 WeakPolarHBondContact O-CA 3.14Å; G385-R393 PolarHBondContact N-O 2.79Å; G385-R393 WeakPolarHBondContact O-CB 3.47Å; G385-R393 PolarHBondContact O-N 2.7Å; L387-R393 HydrophobicContact CD1-CB 4.4Å; L387-R393 HydrophobicContact CD2-CB 4.41Å; L387-R393 HydrophobicContact CG-CB 4.21Å |
| 394 | L | 90.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.7 | 172.6 | -60.9 | 88.9 | 0 | 0 | 0 | 109.2 | E353 V354 L356 R383 Y384 L392 V397 D401 Y405 L422 | E353-L394 WeakPolarHBondContact CA-O 3.29Å; V354-L394 PolarHBondContact N-O 3.11Å; V354-L394 PolarHBondContact O-N 2.83Å; L356-L394 HydrophobicContact CD1-CD1 4.08Å; L356-L394 HydrophobicContact CG-CD1 4.08Å; R383-L394 CarbonylContact O-C 3.57Å; R383-L394 WeakPolarHBondContact O-CA 3.31Å; Y384-L394 HydrophobicContact CD1-CD2 4.29Å; Y384-L394 HydrophobicContact CD1-CG 4.14Å; Y384-L394 HydrophobicContact CE1-CD2 3.54Å; Y384-L394 HydrophobicContact CE1-CG 3.89Å; L392-L394 HydrophobicContact CD2-CD1 4.04Å; L392-L394 HydrophobicContact CG-CD1 3.92Å; L394-V397 HydrophobicContact CB-CG2 3.78Å; L394-V397 WeakPolarHBondContact O-CG2 3.37Å; L394-D401 HydrophobicContact CD2-CB 4.47Å; L394-Y405 HydrophobicContact CD2-CE1 4.09Å; L394-Y405 WeakPolarHBondContact CD2-OH 3.43Å; L394-L422 HydrophobicContact CD2-CD2 4.03Å |
| 395 | A | 86.6 | Confident | 88.2 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 12% | 0.116 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -92.4 | 136.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R383 | R383-A395 PolarHBondContact O-N 3.38Š|
| 396 | Q | 86.6 | Confident | 88.6 | Confident | 139 Ų | 139 | 52.3 Ų | 52.3 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 52.7 | 65 | -175.9 | -57.4 | -179.1 | 8.3 | 0 | 0 | 111.8 | E352 R383 | E352-Q396 PolarHBondContact O-N 3.03Å; R383-Q396 PolarHBondContact NH1-O 2.77Å |
| 397 | V | 88.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | trans | -64.4 | 134.4 | -176.8 | -175 | 0 | 0 | 0 | 0 | 110.7 | A350 G351 E352 V354 L394 D401 L422 V424 | A350-V397 CarbonylContact C-O 3.58Å; A350-V397 VanDerWaalsContact CA-O 3.3Å; A350-V397 WeakPolarHBondContact CA-O 3.49Å; G351-V397 PolarHBondContact N-O 3.21Å; E352-V397 WeakPolarHBondContact O-CG2 3.23Å; E352-V397 PolarHBondContact O-N 3.48Å; V354-V397 HydrophobicContact CB-CG2 4.01Å; V354-V397 HydrophobicContact CG2-CG2 3.82Å; L394-V397 HydrophobicContact CB-CG2 3.78Å; L394-V397 WeakPolarHBondContact O-CG2 3.37Å; V397-D401 HydrophobicContact CG1-CB 3.98Å; V397-L422 HydrophobicContact CG1-CD2 4.26Å; V397-V424 HydrophobicContact CG1-CB 4.33Å; V397-V424 HydrophobicContact CG1-CG1 3.91Å; V397-V424 HydrophobicContact CG1-CG2 3.42Å; V397-V424 VanDerWaalsContact CG1-CG2 3.42Å | ||
| 398 | Q | 88.9 | Confident | 89.2 | Confident | 105 Ų | 105 | 47.2 Ų | 47.2 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | trans | -111.4 | 161.9 | -178.6 | -59.5 | 179.5 | -2 | 0 | 0 | 111.1 | G400 D401 | Q398-G400 PolarHBondContact O-N 3.45Å; Q398-D401 WeakPolarHBondContact CB-OD2 3.37Å; Q398-D401 PolarHBondContact N-OD2 2.95Å; Q398-D401 WeakPolarHBondContact O-CB 3.39Å; Q398-D401 PolarHBondContact O-N 3.43Å | ||
| 399 | V | 85.8 | Confident | 89.6 | Confident | 85 Ų | 85 | 40.4 Ų | 40.4 | 52% | 0.515 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -56.1 | -37.8 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | D401 S402 | V399-D401 VanDerWaalsContact C-N 3.29Å; V399-D401 PolarHBondContact O-N 3.07Å; V399-S402 VanDerWaalsContact O-CB 3.26Å; V399-S402 WeakPolarHBondContact O-CB 3.24Å; V399-S402 PolarHBondContact O-N 2.82Å; V399-S402 VanDerWaalsContact O-N 3.11Å; V399-S402 PolarHBondContact O-OG 2.92Å |
| 400 | G | 85.3 | Confident | 90.1 | Very high | 65 Ų | 65 | 40.3 Ų | 40.3 | 67% | 0.67 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -73.1 | -10.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K372 Q398 | K372-G400 PolarHBondContact NZ-O 3.42Å; Q398-G400 PolarHBondContact O-N 3.45Å |
| 401 | D | 87.6 | Confident | 90.5 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -78.9 | -7 | 167.7 | -58.9 | -57.1 | 0 | 0 | 0 | 111.4 | K372 R383 Y384 L394 V397 Q398 V399 Y405 | K372-D401 WeakPolarHBondContact CE-O 3.3Å; R383-D401 IonicContact CZ-OD1 3.62Å; R383-D401 IonicContact CZ-OD2 3.67Å; R383-D401 IonicContact NH1-OD1 2.7Å; R383-D401 IonicContact NH1-OD2 3.18Å; R383-D401 PolarHBondContact NH1-OD2 2.89Å; R383-D401 IonicContact NH2-OD1 3.66Å; R383-D401 PolarHBondContact NH2-OD1 2.85Å; R383-D401 IonicContact NH2-OD2 3.76Å; R383-D401 PolarHBondContact NH2-OD2 2.98Å; Y384-D401 PolarHBondContact OH-OD1 2.83Å; L394-D401 HydrophobicContact CD2-CB 4.47Å; V397-D401 HydrophobicContact CG1-CB 3.98Å; Q398-D401 WeakPolarHBondContact CB-OD2 3.37Å; Q398-D401 PolarHBondContact N-OD2 2.95Å; Q398-D401 WeakPolarHBondContact O-CB 3.39Å; Q398-D401 PolarHBondContact O-N 3.43Å; V399-D401 VanDerWaalsContact C-N 3.29Å; V399-D401 PolarHBondContact O-N 3.07Å; D401-Y405 VanDerWaalsContact O-CE2 3.28Å; D401-Y405 WeakPolarHBondContact O-CE2 3.47Å; D401-Y405 PolarHBondContact O-OH 3.43Å |
| 402 | S | 90.6 | Very high | 90.7 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | trans | -59 | 140.1 | 169.4 | -51.9 | 0 | 0 | 0 | 0 | 111 | K372 V399 L422 V424 | K372-S402 WeakPolarHBondContact CE-O 3.35Å; K372-S402 PolarHBondContact NZ-O 3.01Å; V399-S402 VanDerWaalsContact O-CB 3.26Å; V399-S402 WeakPolarHBondContact O-CB 3.24Å; V399-S402 PolarHBondContact O-N 2.82Å; V399-S402 VanDerWaalsContact O-N 3.11Å; V399-S402 PolarHBondContact O-OG 2.92Å; S402-L422 CarbonylContact C-O 3.43Å; S402-L422 WeakPolarHBondContact CA-O 3.42Å; S402-L422 WeakPolarHBondContact CB-O 3.42Å; S402-V424 WeakPolarHBondContact OG-CB 3.01Å; S402-V424 WeakPolarHBondContact OG-CG2 3.03Å; S402-V424 PolarHBondContact OG-N 3Å; S402-V424 VanDerWaalsContact OG-N 3.11Å | ||
| 403 | G | 90.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 13% | 0.134 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.1 | -173 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L422 | G403-L422 PolarHBondContact N-O 2.7Å; G403-L422 PolarHBondContact O-N 2.86Å |
| 404 | H | 93.1 | Very high | 90.8 | Very high | 119 Ų | 119 | 43.4 Ų | 43.4 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 116.3 | 177.1 | -58.5 | 80.5 | 0 | 0 | 0 | 109.4 | K372 D373 Y420 | K372-H404 CarbonylContact C-O 3.2Å; K372-H404 WeakPolarHBondContact CA-O 3.44Å; D373-H404 PolarHBondContact N-O 3.29Å; D373-H404 IonicContact OD1-CG 3.97Å; D373-H404 PolarHBondContact OD1-N 3.18Å; D373-H404 IonicContact OD1-ND1 3.42Å; D373-H404 PolarHBondContact OD1-ND1 3.23Å; H404-Y420 WeakPolarHBondContact CA-O 3.45Å |
| 405 | Y | 92.4 | Very high | 91 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.8 | 173.7 | -72 | -100.7 | 0 | 0 | 0 | 109.5 | L356 T371 K372 V377 Y384 L392 L394 D401 R419 Y420 L422 | L356-Y405 HydrophobicContact CD1-CD1 4.03Å; L356-Y405 HydrophobicContact CD1-CD2 4.06Å; L356-Y405 HydrophobicContact CD1-CG 3.66Å; T371-Y405 WeakPolarHBondContact O-CA 3.19Å; K372-Y405 HydrophobicContact CB-CD1 4.02Å; K372-Y405 HydrophobicContact CB-CE1 3.79Å; K372-Y405 HydrophobicContact CD-CE1 4Å; K372-Y405 HydrophobicContact CD-CE2 4.01Å; K372-Y405 VanDerWaalsContact CD-OH 3.29Å; K372-Y405 WeakPolarHBondContact CD-OH 3.15Å; K372-Y405 WeakPolarHBondContact CE-OH 3.36Å; K372-Y405 HydrophobicContact CG-CD1 4.15Å; K372-Y405 HydrophobicContact CG-CD2 4.22Å; K372-Y405 HydrophobicContact CG-CE1 3.76Å; K372-Y405 HydrophobicContact CG-CE2 3.81Å; K372-Y405 HydrophobicContact CG-CG 4.37Å; V377-Y405 HydrophobicContact CG2-CD1 4.48Å; V377-Y405 HydrophobicContact CG2-CE1 4.45Å; Y384-Y405 HydrophobicContact CE1-CE1 4.2Å; Y384-Y405 PolarHBondContact OH-OH 2.88Å; Y384-Y405 VanDerWaalsContact OH-OH 3.07Å; L392-Y405 HydrophobicContact CD2-CD1 3.92Å; L392-Y405 HydrophobicContact CD2-CE1 4.06Å; L394-Y405 HydrophobicContact CD2-CE1 4.09Å; L394-Y405 WeakPolarHBondContact CD2-OH 3.43Å; D401-Y405 VanDerWaalsContact O-CE2 3.28Å; D401-Y405 WeakPolarHBondContact O-CE2 3.47Å; D401-Y405 PolarHBondContact O-OH 3.43Å; Y405-R419 CarbonylContact O-C 3.44Å; Y405-R419 WeakPolarHBondContact O-CA 3.28Å; Y405-Y420 PolarHBondContact N-O 2.91Å; Y405-Y420 PolarHBondContact O-N 2.85Å; Y405-L422 HydrophobicContact CD2-CB 3.95Å; Y405-L422 HydrophobicContact CD2-CD2 4.41Å; Y405-L422 HydrophobicContact CE2-CB 3.9Å; Y405-L422 HydrophobicContact CE2-CD2 3.75Å; Y405-L422 HydrophobicContact CE2-CG 4.44Å |
| 406 | E | 92.7 | Very high | 91.2 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.4 | 173.9 | 180 | 162.7 | -124.4 | 0 | 0 | 109.6 | W370 T371 H418 R419 | W370-E406 WeakPolarHBondContact CA-O 3.47Å; T371-E406 PolarHBondContact N-O 2.9Å; T371-E406 PolarHBondContact O-N 2.99Å; E406-H418 WeakPolarHBondContact CA-O 3.34Å; E406-R419 HydrophobicContact CB-CG 4.25Å; E406-R419 HydrophobicContact CG-CG 3.98Å; E406-R419 WeakPolarHBondContact OE1-CD 3.48Å; E406-R419 WeakPolarHBondContact OE1-CG 3.47Å |
| 407 | C | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 137.7 | 166.3 | 85.6 | 0 | 0 | 0 | 0 | 109.3 | C358 T369 W370 S417 H418 | C358-C407 HydrophobicContact CB-CB 3.57Å; C358-C407 WeakPolarHBondContact CB-SG 3.24Å; C358-C407 WeakPolarHBondContact SG-CB 3.44Å; C358-C407 CovalentContact SG-SG 2.04Å; C358-C407 PolarHBondContact SG-SG 3.45Å; T369-C407 CarbonylContact O-C 3.58Å; T369-C407 VanDerWaalsContact O-CA 3.31Å; T369-C407 WeakPolarHBondContact O-CA 3.29Å; W370-C407 HydrophobicContact CD2-CB 3.6Å; W370-C407 VanDerWaalsContact CE2-CB 3.43Å; W370-C407 HydrophobicContact CE3-CB 3.74Å; W370-C407 HydrophobicContact CG-CB 4.35Å; W370-C407 HydrophobicContact CH2-CB 3.63Å; W370-C407 HydrophobicContact CZ2-CB 3.48Å; W370-C407 VanDerWaalsContact CZ2-CB 3.48Å; W370-C407 HydrophobicContact CZ3-CB 3.76Å; C407-S417 CarbonylContact O-C 3.53Å; C407-S417 WeakPolarHBondContact O-CA 3.42Å; C407-S417 WeakPolarHBondContact O-CB 3.35Å; C407-H418 PolarHBondContact N-O 3.13Å; C407-H418 PolarHBondContact O-N 2.84Å |
| 408 | T | 93.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 117.8 | 174.2 | -67.7 | 0 | 0 | 0 | 0 | 109 | T369 S417 | T369-T408 PolarHBondContact N-O 2.87Å; T369-T408 PolarHBondContact O-N 3.39Å; T369-T408 PolarHBondContact OG1-O 2.86Å; T408-S417 WeakPolarHBondContact CG2-OG 3.28Å; T408-S417 PolarHBondContact OG1-OG 2.67Å |
| 409 | A | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P330 I332 A360 P366 L367 V368 S415 A416 | P330-A409 HydrophobicContact CB-CB 3.96Å; P330-A409 WeakPolarHBondContact CG-O 3.47Å; I332-A409 HydrophobicContact CG1-CB 4.34Å; A360-A409 HydrophobicContact CB-CB 3.35Å; P366-A409 HydrophobicContact CB-CB 4.18Å; L367-A409 CarbonylContact O-C 3.52Å; L367-A409 WeakPolarHBondContact O-CA 3.31Å; V368-A409 HydrophobicContact CG2-CB 4.08Å; A409-S415 CarbonylContact O-C 3.56Å; A409-S415 WeakPolarHBondContact O-CA 3.15Å; A409-S415 WeakPolarHBondContact O-CB 3.34Å; A409-A416 PolarHBondContact N-O 2.9Å; A409-A416 PolarHBondContact O-N 2.84Å |
| 410 | S | 94.3 | Very high | 91.9 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.7 | -175.6 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | P366 L367 | P366-S410 CarbonylContact C-O 3.51Å; P366-S410 VanDerWaalsContact CA-O 3.24Å; P366-S410 WeakPolarHBondContact CA-O 3.32Å; L367-S410 PolarHBondContact N-O 3.2Å; L367-S410 PolarHBondContact O-N 3.02Å |
| 411 | N | 95 | Very high | 92.2 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 176.7 | 170.2 | 77.1 | 7.8 | 0 | 0 | 0 | 110.3 | T328 P330 S363 P364 P366 A413 G414 | T328-N411 PolarHBondContact O-ND2 3.46Å; P330-N411 HydrophobicContact CG-CB 4.35Å; S363-N411 PolarHBondContact O-ND2 3.08Å; P364-N411 PolarHBondContact O-ND2 2.7Å; P366-N411 HydrophobicContact CB-CB 4.45Å; N411-A413 PolarHBondContact O-N 2.9Å; N411-A413 WeakPolarHBondContact OD1-CA 3.5Å; N411-A413 WeakPolarHBondContact OD1-CB 3.29Å; N411-A413 PolarHBondContact OD1-N 3.24Å; N411-G414 PolarHBondContact N-O 2.79Å; N411-G414 PolarHBondContact O-N 3.13Å; N411-G414 PolarHBondContact OD1-N 3.32Å |
| 412 | P | 94 | Very high | 92.4 | Very high | 97 Ų | 97 | 38 Ų | 38 | 63% | 0.63 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -12.1 | 178.4 | -30.3 | 37.4 | 0 | 0 | 0 | 117.5 | P364 | P364-P412 HydrophobicContact CG-CG 4.47Š|
| 413 | A | 91.7 | Very high | 92.4 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 22% | 0.223 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N327 K329 N411 | N327-A413 HydrophobicContact CB-CB 3.79Å; K329-A413 HydrophobicContact CB-CB 4.44Å; N411-A413 PolarHBondContact O-N 2.9Å; N411-A413 WeakPolarHBondContact OD1-CA 3.5Å; N411-A413 WeakPolarHBondContact OD1-CB 3.29Å; N411-A413 PolarHBondContact OD1-N 3.24Å |
| 414 | G | 93.1 | Very high | 92.4 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.9 | -161 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P330 N411 | P330-G414 VanDerWaalsContact CD-O 3.23Å; P330-G414 WeakPolarHBondContact CD-O 3.29Å; P330-G414 WeakPolarHBondContact CG-O 3.48Å; N411-G414 PolarHBondContact N-O 2.79Å; N411-G414 PolarHBondContact O-N 3.13Å; N411-G414 PolarHBondContact OD1-N 3.32Å |
| 415 | S | 93.5 | Very high | 92 | Very high | 75 Ų | 75 | 37.7 Ų | 37.7 | 52% | 0.524 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 162.8 | 178.3 | 57 | 0 | 0 | 0 | 0 | 112.7 | A409 | A409-S415 CarbonylContact O-C 3.56Å; A409-S415 WeakPolarHBondContact O-CA 3.15Å; A409-S415 WeakPolarHBondContact O-CB 3.34Å |
| 416 | A | 92.6 | Very high | 91.1 | Very high | 28 Ų | 28 | 39.5 Ų | 39.5 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 145.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P330 I332 A409 | P330-A416 HydrophobicContact CB-CB 4.35Å; P330-A416 VanDerWaalsContact O-CB 3.29Å; P330-A416 WeakPolarHBondContact O-CB 3.37Å; I332-A416 HydrophobicContact CD1-CB 4.2Å; I332-A416 HydrophobicContact CG1-CB 4.28Å; A409-A416 PolarHBondContact N-O 2.9Å; A409-A416 PolarHBondContact O-N 2.84Å |
| 417 | S | 91.8 | Very high | 89.5 | Confident | 43 Ų | 43 | 48.4 Ų | 48.4 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.5 | -179.7 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | C407 T408 | C407-S417 CarbonylContact O-C 3.53Å; C407-S417 WeakPolarHBondContact O-CA 3.42Å; C407-S417 WeakPolarHBondContact O-CB 3.35Å; T408-S417 WeakPolarHBondContact CG2-OG 3.28Å; T408-S417 PolarHBondContact OG1-OG 2.67Å |
| 418 | H | 89.3 | Confident | 87.4 | Confident | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.023 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.4 | 170.4 | -167.9 | 52.3 | 0 | 0 | 0 | 111.2 | I332 M334 A340 E406 C407 Y420 | I332-H418 HydrophobicContact CD1-CB 4.07Å; M334-H418 HydrophobicContact CE-CB 4.06Å; M334-H418 VanDerWaalsContact CE-CD2 3.41Å; M334-H418 WeakPolarHBondContact CE-CD2 3.48Å; A340-H418 PolarHBondContact O-ND1 2.86Å; E406-H418 WeakPolarHBondContact CA-O 3.34Å; C407-H418 PolarHBondContact N-O 3.13Å; C407-H418 PolarHBondContact O-N 2.84Å; H418-Y420 AromaticContact CD2-CE2 3.82Å |
| 419 | R | 91.3 | Very high | 85.1 | Confident | 111 Ų | 111 | 58 Ų | 58 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 144 | -168.6 | -61.9 | -176 | -62 | -175.5 | 0.6 | 111 | D341 P343 L344 Y405 E406 | D341-R419 PolarHBondContact O-NH2 3.43Å; P343-R419 CarbonylContact C-O 3.56Å; P343-R419 VanDerWaalsContact CA-O 3.23Å; P343-R419 WeakPolarHBondContact CA-O 3.47Å; P343-R419 HydrophobicContact CB-CB 4.04Å; P343-R419 HydrophobicContact CG-CB 4.19Å; L344-R419 PolarHBondContact N-O 2.82Å; Y405-R419 CarbonylContact O-C 3.44Å; Y405-R419 WeakPolarHBondContact O-CA 3.28Å; E406-R419 HydrophobicContact CB-CG 4.25Å; E406-R419 HydrophobicContact CG-CG 3.98Å; E406-R419 WeakPolarHBondContact OE1-CD 3.48Å; E406-R419 WeakPolarHBondContact OE1-CG 3.47Å |
| 420 | Y | 91 | Very high | 82.2 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.3 | -178.7 | -75.5 | -90.7 | 0 | 0 | 0 | 109.5 | M334 L344 V346 L356 D357 W370 H404 Y405 H418 | M334-Y420 HydrophobicContact CE-CE2 4.24Å; M334-Y420 VanDerWaalsContact CE-OH 3.31Å; M334-Y420 WeakPolarHBondContact CE-OH 3.36Å; M334-Y420 PolarHBondContact SD-OH 2.9Å; L344-Y420 HydrophobicContact CB-CD1 3.97Å; L344-Y420 HydrophobicContact CB-CE1 4.05Å; L344-Y420 HydrophobicContact CD2-CD1 4.4Å; L344-Y420 HydrophobicContact CD2-CE1 3.77Å; L344-Y420 HydrophobicContact CG-CE1 4.42Å; L344-Y420 WeakPolarHBondContact O-CA 3.16Å; V346-Y420 HydrophobicContact CG2-CD1 3.75Å; V346-Y420 HydrophobicContact CG2-CE1 4.08Å; L356-Y420 HydrophobicContact CB-CD1 4.37Å; L356-Y420 HydrophobicContact CB-CD2 4.33Å; L356-Y420 HydrophobicContact CB-CE1 4.24Å; L356-Y420 HydrophobicContact CB-CE2 4.23Å; L356-Y420 HydrophobicContact CB-CG 4.41Å; L356-Y420 HydrophobicContact CD1-CG 4.38Å; L356-Y420 HydrophobicContact CD2-CD1 3.78Å; L356-Y420 HydrophobicContact CD2-CE1 4.12Å; L356-Y420 HydrophobicContact CD2-CG 4.24Å; D357-Y420 PolarHBondContact N-OH 2.83Å; D357-Y420 VanDerWaalsContact N-OH 3.09Å; D357-Y420 WeakPolarHBondContact O-CE2 3.19Å; D357-Y420 PolarHBondContact O-OH 3.1Å; W370-Y420 HydrophobicContact CH2-CD2 4.03Å; W370-Y420 AromaticContact CH2-CE2 3.8Å; W370-Y420 HydrophobicContact CH2-CE2 3.8Å; W370-Y420 AromaticContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CD2 3.95Å; W370-Y420 HydrophobicContact CZ3-CE2 4.21Å; H404-Y420 WeakPolarHBondContact CA-O 3.45Å; Y405-Y420 PolarHBondContact N-O 2.91Å; Y405-Y420 PolarHBondContact O-N 2.85Å; H418-Y420 AromaticContact CD2-CE2 3.82Å |
| 421 | V | 92.4 | Very high | 79.5 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 111.5 | 165.1 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | P343 L344 V346 | P343-V421 HydrophobicContact CB-CG2 3.94Å; L344-V421 PolarHBondContact O-N 2.98Å; V346-V421 PolarHBondContact N-O 2.9Å |
| 422 | L | 91.2 | Very high | 77.1 | Confident | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.016 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 117.1 | 177.9 | -179 | 57.1 | 0 | 0 | 0 | 109.3 | V346 V354 L394 V397 S402 G403 Y405 V424 | V346-L422 HydrophobicContact CB-CD1 4.26Å; V346-L422 HydrophobicContact CG1-CD1 3.94Å; V346-L422 WeakPolarHBondContact O-CA 3.4Å; V354-L422 HydrophobicContact CG1-CD1 4.25Å; V354-L422 HydrophobicContact CG2-CD1 4.37Å; L394-L422 HydrophobicContact CD2-CD2 4.03Å; V397-L422 HydrophobicContact CG1-CD2 4.26Å; S402-L422 CarbonylContact C-O 3.43Å; S402-L422 WeakPolarHBondContact CA-O 3.42Å; S402-L422 WeakPolarHBondContact CB-O 3.42Å; G403-L422 PolarHBondContact N-O 2.7Å; G403-L422 PolarHBondContact O-N 2.86Å; Y405-L422 HydrophobicContact CD2-CB 3.95Å; Y405-L422 HydrophobicContact CD2-CD2 4.41Å; Y405-L422 HydrophobicContact CE2-CB 3.9Å; Y405-L422 HydrophobicContact CE2-CD2 3.75Å; Y405-L422 HydrophobicContact CE2-CG 4.44Å; L422-V424 HydrophobicContact CD1-CG2 4.39Å; L422-V424 HydrophobicContact CD2-CG2 4.39Å; L422-V424 HydrophobicContact CG-CG2 3.97Å |
| 423 | G | 90.9 | Very high | 74.4 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 31% | 0.309 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 116.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V346 T347 A348 | V346-G423 PolarHBondContact O-N 2.94Å; T347-G423 WeakPolarHBondContact CA-O 3.3Å; A348-G423 PolarHBondContact N-O 3.19Å; A348-G423 VanDerWaalsContact N-O 3.15Å |
| 424 | V | 89.9 | Confident | 72 | Confident | 13 Ų | 13 | 89 Ų | 89 | 8% | 0.079 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.8 | -173 | -171 | 0 | 0 | 0 | 0 | 111.6 | A348 A350 V397 S402 L422 G426 | A348-V424 CarbonylContact O-C 3.47Å; A348-V424 WeakPolarHBondContact O-CA 3.45Å; A350-V424 HydrophobicContact CB-CG1 4.41Å; V397-V424 HydrophobicContact CG1-CB 4.33Å; V397-V424 HydrophobicContact CG1-CG1 3.91Å; V397-V424 HydrophobicContact CG1-CG2 3.42Å; V397-V424 VanDerWaalsContact CG1-CG2 3.42Å; S402-V424 WeakPolarHBondContact OG-CB 3.01Å; S402-V424 WeakPolarHBondContact OG-CG2 3.03Å; S402-V424 PolarHBondContact OG-N 3Å; S402-V424 VanDerWaalsContact OG-N 3.11Å; L422-V424 HydrophobicContact CD1-CG2 4.39Å; L422-V424 HydrophobicContact CD2-CG2 4.39Å; L422-V424 HydrophobicContact CG-CG2 3.97Å; V424-G426 PolarHBondContact O-N 2.97Å |
| 425 | Q | 86.3 | Confident | 69.4 | Low | 120 Ų | 120 | 95.1 Ų | 95.1 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 110.1 | -179.4 | -63.6 | -177.6 | -3.1 | 0 | 0 | 111.2 | A348 A350 | A348-Q425 PolarHBondContact O-N 2.72Å; A350-Q425 PolarHBondContact N-O 2.81Å |
| 426 | G | 72.8 | Confident | 67 | Low | 40 Ų | 40 | 97.2 Ų | 97.2 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | trans | -78.4 | 156.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V424 T428 | V424-G426 PolarHBondContact O-N 2.97Å; G426-T428 PolarHBondContact O-N 2.82Å | ||
| 427 | R | 59.7 | Low | 64.6 | Low | 250 Ų | 250 | 101.9 Ų | 101.9 | 94% | 0.943 | 55% | 0.546 | S | S | * | . | trans | -74.7 | 117.6 | 170.2 | -68.7 | -175.2 | 177.4 | -162.3 | -0.7 | 109.8 | S429 | R427-S429 PolarHBondContact O-N 2.9Š| ||
| 428 | T | 47.1 | Very low | 62.2 | Low | 117 Ų | 117 | 105.3 Ų | 105.3 | 72% | 0.718 | 57% | 0.567 | S | S | * | * | trans | -77.4 | 103.5 | 175.1 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | G426 W430 | G426-T428 PolarHBondContact O-N 2.82Å; T428-W430 PolarHBondContact O-N 3.23Å | ||
| 429 | S | 44.3 | Very low | 59.7 | Low | 118 Ų | 118 | 113.6 Ų | 113.6 | 83% | 0.825 | 61% | 0.606 | S | S | * | * | trans | -82 | 91.6 | 168 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | R427 | R427-S429 PolarHBondContact O-N 2.9Š| ||
| 430 | W | 35.2 | Very low | 57 | Low | 229 Ų | 229 | 117.1 Ų | 117.1 | 87% | 0.867 | 63% | 0.626 | S | S | * | * | trans | -76.7 | 127.1 | 168.4 | -81.7 | 88.3 | 0 | 0 | 0 | 110.4 | T428 | T428-W430 PolarHBondContact O-N 3.23Š| ||
| 431 | Q | 36.1 | Very low | 54.6 | Low | 177 Ų | 177 | 122.5 Ų | 122.5 | 83% | 0.827 | 66% | 0.662 | S | S | * | * | trans | -129.5 | 120.3 | 163 | -76.2 | -172.4 | -26.2 | 0 | 0 | 108.6 | ||||
| 432 | P | 44.3 | Very low | 51.7 | Low | 130 Ų | 130 | 125.2 Ų | 125.2 | 84% | 0.844 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 121.3 | 173 | 31 | -31.1 | 0 | 0 | 0 | 110 | ||
| 433 | Q | 38.7 | Very low | 48.9 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 128 | 168.2 | -73.5 | -174.4 | -24.3 | 0 | 0 | 110.1 | ||
| 434 | S | 39.8 | Very low | 46.1 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 134.1 | 169.9 | 44.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 435 | L | 38.5 | Very low | 43.5 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -109.7 | 143.9 | 172.1 | -77.9 | 167.8 | 0 | 0 | 0 | 110.6 | ||||
| 436 | P | 43.9 | Very low | 40.9 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 161.7 | -174.3 | -9.2 | 28.1 | 0 | 0 | 0 | 113.8 | ||
| 437 | V | 41.3 | Very low | 39 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93 | 131.7 | 175.3 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 438 | P | 43 | Very low | 37.8 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 159.3 | 158.4 | -5.1 | 25.9 | 0 | 0 | 0 | 112.6 | ||
| 439 | H | 35.4 | Very low | 37.5 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90 | 159.6 | -172.6 | -66.2 | -103.4 | 0 | 0 | 0 | 114.3 | ||
| 440 | H | 34.6 | Very low | 37.9 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 160.2 | 171.2 | -73 | 42.5 | 0 | 0 | 0 | 112.7 | ||
| 441 | P | 40.3 | Very low | 38 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -113.4 | 158.6 | 132.6 | -8 | 27.8 | 0 | 0 | 0 | 114.2 | ||||
| 442 | A | 33.2 | Very low | 38 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -68.8 | 145.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 443 | C | 31.5 | Very low | 37.5 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | cis | 91.1 | 152 | 45.5 | -73.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 444 | L | 32.6 | Very low | 37.9 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | 87.5 | 140.4 | -173.7 | -56 | 172.1 | 0 | 0 | 0 | 116.2 | ||||
| 445 | S | 35.5 | Very low | 37.9 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | cis | -170.7 | 143.1 | -27.8 | 43.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 446 | G | 31.6 | Very low | 38.4 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 168.3 | 101.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 447 | L | 33.1 | Very low | 38 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | 21.1 | 133.5 | 135.1 | -65.5 | 162.4 | 0 | 0 | 0 | 119.3 | ||||
| 448 | S | 34.8 | Very low | 37.6 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | cis | -161.6 | 142.6 | 12.2 | -77 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 449 | V | 39.1 | Very low | 37.2 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | 24.8 | 137.4 | 127.3 | -177.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 450 | P | 53.2 | Low | 37 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -125.3 | -138.2 | 17.7 | 30.7 | -5.3 | 0 | 0 | 0 | 113.1 | ||||
| 451 | L | 36.8 | Very low | 37 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | cis | -154.4 | -147.5 | 5.4 | -137.8 | 177.9 | 0 | 0 | 0 | 112 | ||||
| 452 | L | 37.4 | Very low | 36.6 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | trans | -139.7 | 174.3 | -160.1 | -96 | 80.9 | 0 | 0 | 0 | 112.7 | ||||
| 453 | Q | 32.7 | Very low | 36.4 | Very low | 163 Ų | 163 | 142.8 Ų | 142.8 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | cis | 167.6 | -171 | -28.5 | -108.3 | -171.4 | 5.7 | 0 | 0 | 107.8 | ||||
| 454 | P | 48.1 | Very low | 36.3 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | cis | -128.9 | -176.2 | -16.8 | 27.1 | -3.3 | 0 | 0 | 0 | 114.6 | ||||
| 455 | T | 39.4 | Very low | 36 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -149.1 | 147.3 | 175.8 | 60.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 456 | P | 48.4 | Very low | 35.6 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -140.1 | 101.6 | 175.8 | 38.1 | -18.7 | 0 | 0 | 0 | 119.2 | ||||
| 457 | R | 36.2 | Very low | 35.4 | Very low | 237 Ų | 237 | 149.2 Ų | 149.2 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | 29.5 | 146.2 | 128 | -55.3 | 171 | 171.7 | -179.9 | -3.9 | 123.8 | |||||
| 458 | S | 32.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | 164.5 | 173.7 | 111.6 | -73.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 459 | V | 34.6 | Very low | 35.9 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -151 | 146.1 | -164 | 177.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 460 | R | 32.5 | Very low | 35.5 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | 174.6 | 169.9 | 137.8 | -97.6 | 168.9 | -171.1 | -153.9 | 1.8 | 116 | ||||
| 461 | L | 33 | Very low | 35.8 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -100.7 | 163.4 | -174.9 | -62.1 | 79.2 | 0 | 0 | 0 | 113.8 | ||||
| 462 | C | 32 | Very low | 36.2 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -158.9 | -172.3 | 134.4 | -128.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 463 | H | 29.7 | Very low | 37 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -132.7 | 168.3 | -151.5 | -125.1 | -100.2 | 0 | 0 | 0 | 114.9 | ||||
| 464 | L | 28.4 | Very low | 37 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 74.5 | 163.9 | 161.4 | -60.1 | 142.6 | 0 | 0 | 0 | 118.9 | ||||
| 465 | S | 26.4 | Very low | 36.1 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | cis | -173.2 | 158.9 | -46.5 | -144.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 466 | L | 28.5 | Very low | 35.7 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | 70.1 | 121.4 | 152.4 | -69.1 | 160.1 | 0 | 0 | 0 | 124 | ||||
| 467 | R | 26.1 | Very low | 35.5 | Very low | 223 Ų | 223 | 144.7 Ų | 144.7 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | 69.3 | 110.8 | 134.3 | -70.8 | 179.1 | 176.4 | 173.8 | -1.1 | 123.8 | ||||
| 468 | A | 36 | Very low | 35.3 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | 36.5 | 139 | 111.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 469 | P | 42.1 | Very low | 35.2 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | -145.9 | -171.7 | 85.5 | 41.4 | -24.8 | 0 | 0 | 0 | 117.6 | |||||
| 470 | L | 31.2 | Very low | 34.9 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -82.8 | -172.4 | 177.8 | -67.2 | 161.8 | 0 | 0 | 0 | 113.3 | ||||
| 471 | P | 59.4 | Low | 34.8 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -120.7 | -154.6 | -47.6 | 34.5 | -14.1 | 0 | 0 | 0 | 110.1 | ||||
| 472 | P | 45.2 | Very low | 34.6 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | -149.4 | -144 | 77.6 | 46.5 | -23.4 | 0 | 0 | 0 | 113.1 | |||||
| 473 | P | 55 | Low | 34.5 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | -125.9 | 176.3 | -128.8 | 22.4 | 5.5 | 0 | 0 | 0 | 118.5 | |||||
| 474 | F | 32.8 | Very low | 34.6 | Very low | 194 Ų | 194 | 128.3 Ų | 128.3 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | 6.7 | 142.6 | 152.7 | -64.3 | -87.4 | 0 | 0 | 0 | 119.9 | ||||
| 475 | A | 29.4 | Very low | 34.6 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | cis | -154.6 | 171.3 | 49.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 476 | T | 31.2 | Very low | 34.6 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | -98.1 | -179.3 | -175.5 | 40.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 477 | P | 43.9 | Very low | 34.6 | Very low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | cis | -151.1 | 171.9 | 26.6 | 44.4 | -22.5 | 0 | 0 | 0 | 121.9 | ||||
| 478 | T | 31.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | 54 | 103.9 | 149.8 | 48 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 479 | S | 29.8 | Very low | 34.4 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | 78.3 | 108.7 | 67.3 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 480 | C | 28.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | 81.3 | 148.2 | 95.6 | -67.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 481 | L | 29.7 | Very low | 33.6 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | cis | -154.2 | 169.2 | 19 | -135.5 | 155.5 | 0 | 0 | 0 | 110.4 | ||||
| 482 | S | 29.7 | Very low | 32 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | trans | -68.5 | 173.5 | 157.2 | 55 | 0 | 0 | 0 | 0 | 110 | ||||
| 483 | Q | 30.3 | Very low | 31.2 | Very low | 190 Ų | 190 | 128.6 Ų | 128.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | cis | -166.1 | 171.1 | 43.5 | -155 | 170.4 | 16.3 | 0 | 0 | 110.6 | ||||
| 484 | A | 30.2 | Very low | 29.9 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -103.2 | 141.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 485 | C | 29.4 | Very low | 29.7 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | 46.5 | 124.7 | 139.4 | -58.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 486 | L | 27 | Very low | 29.8 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -103.6 | 140.2 | 147.6 | -81.8 | 165.9 | 0 | 0 | 0 | 109.8 | ||||
| 487 | S | 28.9 | Very low | 30.4 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 171.5 | 140.5 | 136.6 | 41.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 488 | S | 27.9 | Very low | 29.9 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -160.1 | 125.6 | 155.4 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 489 | S | 29.8 | Very low | 30.4 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 53.8 | 108.9 | 144.5 | -45.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 490 | T | 28.2 | Very low | 30.6 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -94.7 | 135.4 | 157.8 | 36.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 491 | L | 26.9 | Very low | 30.7 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -164.1 | 118.6 | 165.9 | -134.6 | 170.9 | 0 | 0 | 0 | 111 | ||||
| 492 | S | 27.1 | Very low | 30.7 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | 158.9 | 123 | 135.5 | -74.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 493 | L | 28.1 | Very low | 31.9 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | 68.6 | 139.5 | 136.5 | -67.2 | 167.5 | 0 | 0 | 0 | 122.9 | ||||
| 494 | H | 27.6 | Very low | 31.9 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | trans | -98.1 | 147.2 | 179 | -137.6 | -86.4 | 0 | 0 | 0 | 109.6 | ||||
| 495 | L | 28.6 | Very low | 32 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -151.4 | 139.9 | 158.8 | -106.5 | 173 | 0 | 0 | 0 | 110.5 | ||||
| 496 | S | 30.3 | Very low | 32.1 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 82% | 0.821 | S | S | * | * | trans | -106.8 | 169.8 | 176.9 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 497 | P | 45.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | -138.9 | 168.3 | 122.9 | 33.6 | -19.5 | 0 | 0 | 0 | 115.3 | |||||
| 498 | Y | 32.4 | Very low | 32.4 | Very low | 207 Ų | 207 | 141 Ų | 141 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -74.8 | 169.8 | 178.6 | -83.1 | -97.6 | 0 | 0 | 0 | 114.1 | ||||
| 499 | P | 42.4 | Very low | 32.5 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | -124.9 | 169.3 | 124.3 | 37.5 | -32.9 | 0 | 0 | 0 | 113.7 | |||||
| 500 | L | 34 | Very low | 33.5 | Very low | 144 Ų | 144 | 147 Ų | 147 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | -142.7 | 147.3 | -178 | -94 | 172.5 | 0 | 0 | 0 | 112.3 | ||||
| 501 | R | 31.1 | Very low | 34.4 | Very low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 82% | 0.818 | S | S | * | * | trans | 67.5 | 134 | 162.4 | -65.8 | -179.2 | 177.2 | -169.8 | -1.2 | 119.9 | ||||
| 502 | G | 29.7 | Very low | 34.7 | Very low | 69 Ų | 69 | 144.3 Ų | 144.3 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -104.1 | -144.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 503 | P | 53.9 | Low | 34.9 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | cis | -127.8 | -164.2 | -5.2 | 42.9 | -26.9 | 0 | 0 | 0 | 112.3 | ||||
| 504 | G | 31.3 | Very low | 35.1 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | 154.2 | 133.9 | 160 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 505 | D | 31.4 | Very low | 35.2 | Very low | 169 Ų | 169 | 144 Ų | 144 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | trans | -87.5 | 154.3 | 177.6 | -61.1 | -85.4 | 0 | 0 | 0 | 114.1 | ||||
| 506 | A | 31.3 | Very low | 35.4 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -155.1 | 134.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 507 | V | 33.3 | Very low | 35.4 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 81% | 0.806 | 84% | 0.836 | S | S | * | * | trans | -111.4 | 133.8 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 508 | Q | 29.3 | Very low | 34.7 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -176.8 | 152.9 | 139 | -102.6 | 160.3 | 39.4 | 0 | 0 | 115 | ||||
| 509 | R | 29.8 | Very low | 34.6 | Very low | 235 Ų | 235 | 150.3 Ų | 150.3 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -138.6 | 170.8 | 159.5 | -69.5 | -177.3 | 177.1 | -178.6 | -0.1 | 106.3 | ||||
| 510 | P | 50.8 | Low | 34 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 83% | 0.83 | S | S | * | * | -112.7 | -153.3 | -53.5 | 32 | -13.3 | 0 | 0 | 0 | 108.4 | |||||
| 511 | P | 47.7 | Very low | 33.9 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | -142.5 | -179 | 96.5 | 38.4 | -23.9 | 0 | 0 | 0 | 115 | |||||
| 512 | T | 32.6 | Very low | 33.7 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | trans | -86.1 | 153.7 | -175.3 | 51 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 513 | T | 32 | Very low | 33.8 | Very low | 149 Ų | 149 | 146 Ų | 146 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | trans | -141.7 | 157.4 | 144.1 | 22.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 514 | Q | 31.9 | Very low | 32.5 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 94% | 0.944 | 83% | 0.827 | S | S | * | * | trans | -94.6 | 154 | -175.5 | -63.8 | 170 | -19.3 | 0 | 0 | 111.7 | ||||
| 515 | G | 30.9 | Very low | 32.6 | Very low | 86 Ų | 86 | 150.6 Ų | 150.6 | 89% | 0.887 | 83% | 0.832 | S | S | * | * | trans | -156.1 | 87.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 516 | R | 31.4 | Very low | 32.6 | Very low | 222 Ų | 222 | 149.7 Ų | 149.7 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -108.5 | 117.7 | -176.5 | -178.9 | -176 | -178.9 | -178.8 | 0.9 | 110.2 | ||||
| 517 | A | 31.1 | Very low | 32.4 | Very low | 99 Ų | 99 | 148.4 Ų | 148.4 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -137.3 | 128.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 518 | Q | 30.1 | Very low | 32.3 | Very low | 153 Ų | 153 | 149 Ų | 149 | 72% | 0.715 | 83% | 0.834 | S | S | * | * | trans | -117.8 | 136.7 | 169.9 | -76.5 | 176.6 | -100.8 | 0 | 0 | 108.6 | ||||
| 519 | W | 30.3 | Very low | 32.4 | Very low | 257 Ų | 257 | 151.5 Ų | 151.5 | 97% | 0.973 | 84% | 0.835 | S | S | * | * | trans | -141.7 | 133.4 | 153.9 | -81.1 | 100.8 | 0 | 0 | 0 | 109.1 | ||||
| 520 | G | 29.3 | Very low | 32.4 | Very low | 62 Ų | 62 | 144 Ų | 144 | 64% | 0.639 | 83% | 0.831 | S | S | * | * | trans | -93.7 | -163.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 521 | L | 32.2 | Very low | 31.6 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | cis | -167.4 | 147.1 | -6.5 | -124.2 | 171.4 | 0 | 0 | 0 | 106.4 | ||||
| 522 | G | 27.6 | Very low | 30.9 | Very low | 64 Ų | 64 | 147.4 Ų | 147.4 | 66% | 0.66 | 84% | 0.838 | S | S | * | * | trans | 148.6 | 88 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 523 | F | 31.4 | Very low | 30.6 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | 73.3 | 114.9 | 82.8 | -87.1 | -75.2 | 0 | 0 | 0 | 115.9 | |||||
| 524 | G | 27 | Very low | 30.4 | Very low | 79 Ų | 79 | 153 Ų | 153 | 81% | 0.814 | 84% | 0.843 | S | S | * | * | trans | -173.3 | 87.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 525 | R | 32.4 | Very low | 30.3 | Very low | 229 Ų | 229 | 149.9 Ų | 149.9 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | -89.6 | 127.6 | 178.1 | -80.1 | -179.8 | 171.1 | 176.6 | -2.7 | 111 | ||||
| 526 | T | 31.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | trans | -139 | 152.6 | 134.7 | 45.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 527 | G | 28.8 | Very low | 30.1 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -148.7 | 135.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 528 | V | 31.5 | Very low | 29.9 | Very low | 146 Ų | 146 | 153.8 Ų | 153.8 | 89% | 0.885 | 84% | 0.839 | S | S | * | * | trans | -132.3 | 139.4 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 529 | R | 31 | Very low | 29.9 | Very low | 244 Ų | 244 | 150.2 Ų | 150.2 | 92% | 0.921 | 84% | 0.843 | S | S | * | * | trans | -84 | 136.1 | 176.8 | -60.4 | 179.6 | -176 | -175.2 | 1.1 | 109.5 | ||||
| 530 | G | 29.3 | Very low | 29.8 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 81% | 0.814 | 84% | 0.836 | S | S | * | * | trans | -110.4 | 128 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 531 | E | 32.8 | Very low | 30 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 152.4 | 173 | -65.5 | -168.2 | 139.5 | 0 | 0 | 111.5 | M533 | E531-M533 PolarHBondContact O-N 3.48Š|
| 532 | P | 33.7 | Very low | 30.3 | Very low | 125 Ų | 125 | 146.7 Ų | 146.7 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119.1 | 174.7 | 30.2 | -33.4 | 0 | 0 | 0 | 111.5 | K534 | P532-K534 PolarHBondContact O-N 3.06Š|
| 533 | M | 26.9 | Very low | 30.3 | Very low | 188 Ų | 188 | 147.2 Ų | 147.2 | 93% | 0.926 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -65 | 125.3 | 174.4 | -74 | -172.4 | 174.9 | 0 | 0 | 112 | E531 | E531-M533 PolarHBondContact O-N 3.48Š|
| 534 | K | 28.3 | Very low | 30.3 | Very low | 207 Ų | 207 | 145 Ų | 145 | 90% | 0.9 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 116.5 | 162.2 | -76.9 | -179.4 | 176.5 | 175.2 | 0 | 109.8 | P532 G536 | P532-K534 PolarHBondContact O-N 3.06Å; K534-G536 PolarHBondContact O-N 3.25Å |
| 535 | V | 29 | Very low | 30.5 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 82% | 0.824 | 86% | 0.858 | S | S | * | * | trans | -77 | 113.1 | 168.4 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 536 | G | 27.4 | Very low | 30.3 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 75% | 0.753 | 85% | 0.851 | S | S | * | * | trans | -94 | 111.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K534 R538 | K534-G536 PolarHBondContact O-N 3.25Å; G536-R538 PolarHBondContact O-N 3.36Å | ||
| 537 | L | 29.9 | Very low | 31.1 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 89% | 0.885 | 85% | 0.846 | S | S | * | * | trans | -79.9 | 111.6 | 173.4 | -77.7 | 165.2 | 0 | 0 | 0 | 111 | ||||
| 538 | R | 27.7 | Very low | 31.2 | Very low | 248 Ų | 248 | 145.5 Ų | 145.5 | 94% | 0.936 | 85% | 0.85 | S | S | * | * | trans | -87.9 | 107.8 | 160.8 | -80.2 | -171.6 | 172.2 | -158.2 | -0.4 | 109.1 | G536 | G536-R538 PolarHBondContact O-N 3.36Š| ||
| 539 | G | 29.7 | Very low | 31.1 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 85% | 0.848 | S | S | * | * | trans | -96.9 | 116.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 540 | S | 29.2 | Very low | 31.2 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 84% | 0.843 | S | S | * | * | trans | -87.9 | 135.7 | 174.4 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 541 | L | 32.2 | Very low | 32 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 89% | 0.885 | 84% | 0.844 | S | S | * | * | trans | -120.8 | 127.4 | 172.7 | -78.9 | 170.2 | 0 | 0 | 0 | 110.7 | ||||
| 542 | P | 38.3 | Very low | 31.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -78.1 | 140.5 | 162.1 | 33.2 | -31.5 | 0 | 0 | 0 | 109.7 | ||||
| 543 | G | 29.3 | Very low | 31.5 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | trans | -102.4 | 158.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 544 | T | 31.4 | Very low | 31.7 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | trans | -136.1 | 125.5 | 168.1 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 545 | R | 30.6 | Very low | 31.8 | Very low | 244 Ų | 244 | 126.6 Ų | 126.6 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | 5.1 | 131.3 | 159 | -57.6 | 177.6 | 179.6 | 178.2 | -1 | 119.3 | ||||
| 546 | G | 29 | Very low | 31.9 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | -75 | -164.3 | 150.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 547 | P | 47.8 | Very low | 32 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | -150.5 | 177.9 | 70 | 42.2 | -24.9 | 0 | 0 | 0 | 117.3 | |||||
| 548 | A | 30.4 | Very low | 32.1 | Very low | 106 Ų | 106 | 131 Ų | 131 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | 67.6 | 122.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 549 | G | 29.2 | Very low | 32.7 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | trans | 169.8 | 111 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 550 | S | 33.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -129.7 | -173.6 | -170.3 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 551 | P | 46.3 | Very low | 32.6 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | -120.3 | 171.4 | -97.1 | 35.7 | -19.4 | 0 | 0 | 0 | 114.7 | |||||
| 552 | G | 28.8 | Very low | 32.3 | Very low | 75 Ų | 75 | 129.7 Ų | 129.7 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -148.3 | 145.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 553 | C | 27.6 | Very low | 31.8 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 96% | 0.959 | 82% | 0.815 | S | S | * | * | trans | -100.3 | 160.4 | -165.9 | -59.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 554 | G | 29.9 | Very low | 31.8 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -179.6 | 114.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 555 | D | 30.9 | Very low | 31.8 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -86.5 | 158.3 | -172.8 | -102.9 | -71.9 | 0 | 0 | 0 | 114.6 | K557 | D555-K557 IonicContact OD1-NZ 2.7Š| ||
| 556 | G | 30.8 | Very low | 32.2 | Very low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 173.1 | 96.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 557 | K | 30.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -114.8 | 130.2 | -171.4 | -89.6 | 169.5 | -178.3 | 138.5 | 0 | 114.5 | D555 | D555-K557 IonicContact OD1-NZ 2.7Š| ||
| 558 | R | 31.6 | Very low | 32.1 | Very low | 228 Ų | 228 | 132.1 Ų | 132.1 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | 69.2 | 164.3 | 153.1 | -66.8 | -166.9 | -120.8 | -126.8 | 8 | 118.1 | ||||
| 559 | P | 39.2 | Very low | 32.1 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | cis | -129.4 | 166.3 | -28.8 | 31.6 | -14.3 | 0 | 0 | 0 | 114.1 | ||||
| 560 | V | 29.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 132 Ų | 132 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -80.4 | 143 | 168.8 | 174.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 561 | R | 27.5 | Very low | 32.2 | Very low | 226 Ų | 226 | 134.4 Ų | 134.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -132.2 | 140.4 | 162.3 | -104.9 | -169.6 | 179.5 | -170.3 | 2.5 | 110.7 | ||||
| 562 | C | 26 | Very low | 31.6 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | trans | -101.4 | 132 | -179.1 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 563 | H | 28.7 | Very low | 31.9 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 73% | 0.731 | 81% | 0.812 | S | S | * | * | trans | -132.2 | 111.9 | 157.9 | -73 | -66.4 | 0 | 0 | 0 | 107.5 | ||||
| 564 | R | 29.1 | Very low | 32.5 | Very low | 240 Ų | 240 | 139.3 Ų | 139.3 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | 63.3 | 107.2 | 93.3 | -99.4 | -171 | 176.3 | 176.2 | -0.2 | 112.9 | |||||
| 565 | A | 31.8 | Very low | 33.1 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 151.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 566 | P | 37.3 | Very low | 33.4 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 160.1 | 169.8 | 32.6 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 567 | P | 41.1 | Very low | 33.6 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79 | 166 | -177.5 | 33.7 | -36.8 | 0 | 0 | 0 | 113.4 | G569 | P567-G569 PolarHBondContact O-N 2.89Š|
| 568 | A | 34.9 | Very low | 34.2 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 125.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 569 | G | 30.6 | Very low | 34.6 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 148.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P567 | P567-G569 PolarHBondContact O-N 2.89Š|
| 570 | S | 31.5 | Very low | 34.4 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.1 | 179 | 40 | 0 | 0 | 0 | 0 | 112.8 | L572 | S570-L572 PolarHBondContact O-N 3.15Š|
| 571 | I | 32.7 | Very low | 35 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -76.8 | 105.5 | 172.3 | -59.7 | 173.8 | 0 | 0 | 0 | 108.5 | ||||
| 572 | L | 33.1 | Very low | 35.4 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 135.4 | 164.3 | -78.1 | 166 | 0 | 0 | 0 | 109.3 | S570 | S570-L572 PolarHBondContact O-N 3.15Š|
| 573 | M | 35.5 | Very low | 36 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75 | 143.9 | 175.2 | -71.2 | -169.5 | 173.7 | 0 | 0 | 111.3 | ||
| 574 | P | 40 | Very low | 36.9 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 149.2 | 170.4 | 30.6 | -34.6 | 0 | 0 | 0 | 111.1 | ||
| 575 | P | 42.2 | Very low | 37.5 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 159.3 | 177.5 | 31 | -35.6 | 0 | 0 | 0 | 112.2 | G577 | P575-G577 PolarHBondContact O-N 2.92Š|
| 576 | R | 38.3 | Very low | 37.7 | Very low | 249 Ų | 249 | 137.7 Ų | 137.7 | 94% | 0.94 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.6 | 174.8 | -69.2 | 178.3 | 174.5 | 173.7 | -2.8 | 111 | ||
| 577 | G | 34.1 | Very low | 38 | Very low | 63 Ų | 63 | 137.9 Ų | 137.9 | 65% | 0.649 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 165.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P575 | P575-G577 PolarHBondContact O-N 2.92Š|
| 578 | P | 43 | Very low | 37.6 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 166.3 | -174.9 | 32.1 | -36.2 | 0 | 0 | 0 | 113.8 | ||
| 579 | S | 39.5 | Very low | 37.5 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 137.5 | -178.4 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 580 | E | 35 | Very low | 37.7 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 139.6 | 171.7 | -166.4 | 169.5 | -145.2 | 0 | 0 | 110.8 | ||
| 581 | P | 42.1 | Very low | 37.7 | Very low | 118 Ų | 118 | 150 Ų | 150 | 77% | 0.766 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 144.7 | -177.1 | 32.6 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 582 | L | 37.3 | Very low | 37.7 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 137.1 | 178.6 | -70.2 | 159.2 | 0 | 0 | 0 | 112.3 | ||
| 583 | L | 38.3 | Very low | 37.8 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 86% | 0.859 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 147.1 | 166.9 | -80.7 | 167.4 | 0 | 0 | 0 | 111 | ||
| 584 | P | 46.5 | Very low | 37.7 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 160.8 | -175 | 33.5 | -36.4 | 0 | 0 | 0 | 113.6 | ||
| 585 | P | 43.4 | Very low | 37.6 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 148.7 | -179.3 | 30.8 | -35.9 | 0 | 0 | 0 | 113.6 | ||
| 586 | L | 36.3 | Very low | 37.3 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 88% | 0.88 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 148.4 | 172.9 | -73.5 | 165.6 | 0 | 0 | 0 | 111.8 | ||
| 587 | P | 42.3 | Very low | 37.3 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 80% | 0.799 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 161.9 | -176.7 | 33.3 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 588 | S | 32 | Very low | 37.5 | Very low | 116 Ų | 116 | 156.2 Ų | 156.2 | 81% | 0.811 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 140.5 | -179.4 | 49 | 0 | 0 | 0 | 0 | 113.8 | ||
| 589 | T | 34.7 | Very low | 37.1 | Very low | 144 Ų | 144 | 157.6 Ų | 157.6 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.4 | 169.2 | 26.4 | 0 | 0 | 0 | 0 | 111 | ||
| 590 | R | 34.8 | Very low | 37 | Very low | 227 Ų | 227 | 160 Ų | 160 | 86% | 0.857 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 137.8 | 162.5 | -78 | -174.6 | 171.4 | -173.1 | -2.4 | 109.7 | ||
| 591 | H | 31.3 | Very low | 37.1 | Very low | 182 Ų | 182 | 158.3 Ų | 158.3 | 84% | 0.843 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 141.7 | 163.4 | -69.9 | -69.6 | 0 | 0 | 0 | 110.3 | ||
| 592 | F | 32.5 | Very low | 36.8 | Very low | 194 Ų | 194 | 161.2 Ų | 161.2 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | trans | -117.7 | 128 | 152.8 | -104.3 | -87.5 | 0 | 0 | 0 | 108.1 | ||||
| 593 | V | 34.8 | Very low | 36.7 | Very low | 123 Ų | 123 | 159.9 Ų | 159.9 | 75% | 0.745 | 85% | 0.851 | S | S | * | * | trans | -96.2 | 138.9 | 166 | 172.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 594 | H | 33.4 | Very low | 36.6 | Very low | 166 Ų | 166 | 159.6 Ų | 159.6 | 77% | 0.769 | 85% | 0.851 | S | S | * | * | trans | -154.2 | 161.9 | 144.6 | -111.6 | -73.4 | 0 | 0 | 0 | 111.2 | ||||
| 595 | L | 36.9 | Very low | 35.7 | Very low | 234 Ų | 234 | 164.2 Ų | 164.2 | 100% | 1.225 | 86% | 0.864 | S | S | * | * | trans | -56.3 | 0 | -178.6 | -67.6 | 145.2 | 0 | 0 | 0 | 113.3 |
Retrieved 595 of 595 residues in 185.6 ms
(Link to these results)