| 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 | T | 40.3 | Very low | 33 | Very low | 193 Ų | 193 | 151.6 Ų | 151.6 | 100% | 1.184 | 77% | 0.769 | S | S | * | * | 0 | 98.1 | 0 | 5.3 | 0 | 0 | 0 | 0 | 107.5 | S3 | T1-S3 PolarHBondContact O-N 3.48Š| |||
| 2 | H | 25.8 | Very low | 33.3 | Very low | 192 Ų | 192 | 152.7 Ų | 152.7 | 89% | 0.889 | 77% | 0.768 | S | S | * | * | trans | -79.8 | 111.4 | -178.8 | -86.3 | -93.6 | 0 | 0 | 0 | 109.3 | H4 | H2-H4 PolarHBondContact O-N 3.16Š| ||
| 3 | S | 31.3 | Very low | 33.4 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -90.8 | 88.9 | 166.6 | 50.4 | 0 | 0 | 0 | 0 | 108.5 | T1 I5 | T1-S3 PolarHBondContact O-N 3.48Å; S3-I5 PolarHBondContact O-N 3.41Å; S3-I5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | H | 32.4 | Very low | 33.8 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | trans | -71.6 | 94.5 | 167 | -139 | -83.4 | 0 | 0 | 0 | 107.1 | H2 S6 | H2-H4 PolarHBondContact O-N 3.16Å; H4-S6 PolarHBondContact O-N 2.71Å | ||
| 5 | I | 33.6 | Very low | 33.8 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -87.4 | 103.7 | 168.6 | -65 | 172.7 | 0 | 0 | 0 | 105.2 | S3 S7 | S3-I5 PolarHBondContact O-N 3.41Å; S3-I5 VanDerWaalsContact O-N 3.1Å; I5-S7 PolarHBondContact O-N 3.47Å | ||
| 6 | S | 31.9 | Very low | 33.7 | Very low | 53 Ų | 53 | 146.9 Ų | 146.9 | 37% | 0.371 | 74% | 0.744 | S | S | . | * | trans | -53.2 | 126.4 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 109.6 | H4 E8 | H4-S6 PolarHBondContact O-N 2.71Å; S6-E8 PolarHBondContact O-N 3.37Å; S6-E8 WeakPolarHBondContact OG-CB 3.27Å; S6-E8 WeakPolarHBondContact OG-CG 3.27Å; S6-E8 PolarHBondContact OG-N 2.84Å; S6-E8 PolarHBondContact OG-OE2 3.45Å; S6-E8 VanDerWaalsContact OG-OE2 3.09Å | ||
| 7 | S | 36.6 | Very low | 34.2 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -72.7 | 0.3 | 174.6 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | I5 W9 | I5-S7 PolarHBondContact O-N 3.47Å; S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.35Å |
| 8 | E | 37 | Very low | 34.5 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -76.2 | -12.8 | -177.2 | -67.6 | 170.9 | 144.5 | 0 | 0 | 114 | S6 | S6-E8 PolarHBondContact O-N 3.37Å; S6-E8 WeakPolarHBondContact OG-CB 3.27Å; S6-E8 WeakPolarHBondContact OG-CG 3.27Å; S6-E8 PolarHBondContact OG-N 2.84Å; S6-E8 PolarHBondContact OG-OE2 3.45Å; S6-E8 VanDerWaalsContact OG-OE2 3.09Å |
| 9 | W | 33 | Very low | 35 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -91.5 | -3.6 | -177.1 | -86.2 | 64.6 | 0 | 0 | 0 | 114.8 | S7 | S7-W9 VanDerWaalsContact C-N 3.3Å; S7-W9 PolarHBondContact O-N 3.35Å |
| 10 | R | 31.7 | Very low | 35.5 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -99.6 | -15.3 | -178.2 | -125.5 | -178.7 | -76.6 | -160.7 | -1 | 114.3 | ||
| 11 | D | 29.8 | Very low | 36.2 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -12.3 | 175 | -70.6 | -17 | 0 | 0 | 0 | 113.1 | ||
| 12 | E | 36.4 | Very low | 37.1 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -10.6 | 174.9 | -72.7 | -168.9 | 156.8 | 0 | 0 | 114 | ||
| 13 | A | 34.9 | Very low | 38.9 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 69% | 0.686 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -100.4 | -10 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 14 | E | 38.2 | Very low | 41.2 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -131.4 | 70.3 | 178.8 | -74.1 | -172.4 | 167 | 0 | 0 | 111.3 | ||
| 15 | S | 34.2 | Very low | 43.5 | Very low | 59 Ų | 59 | 129.5 Ų | 129.5 | 41% | 0.413 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -166.4 | 102.2 | 163.2 | -113.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 16 | W | 31.5 | Very low | 46.1 | Very low | 202 Ų | 202 | 126.4 Ų | 126.4 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | trans | 78 | 99.3 | 154.4 | -43.4 | -60.3 | 0 | 0 | 0 | 116.8 | R18 | W16-R18 WeakPolarHBondContact O-CG 3.3Å; W16-R18 PolarHBondContact O-N 2.95Å | ||
| 17 | N | 42.3 | Very low | 48.7 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 94% | 0.941 | 64% | 0.64 | S | S | * | * | -18.4 | 84 | 128.2 | -135.3 | 1.7 | 0 | 0 | 0 | 111.9 | |||||
| 18 | R | 39.5 | Very low | 51.2 | Low | 204 Ų | 204 | 126 Ų | 126 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | trans | -90.9 | 122 | 171.2 | -74.2 | -176.9 | -175.2 | -149.4 | 0.7 | 106.4 | W16 A20 | W16-R18 WeakPolarHBondContact O-CG 3.3Å; W16-R18 PolarHBondContact O-N 2.95Å; R18-A20 PolarHBondContact O-N 2.91Å | ||
| 19 | S | 44.8 | Very low | 53.6 | Low | 96 Ų | 96 | 120.4 Ų | 120.4 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | trans | -46.3 | 87.4 | 165.4 | -42.6 | 0 | 0 | 0 | 0 | 109.9 | V21 | S19-V21 PolarHBondContact O-N 3.27Š| ||
| 20 | A | 45 | Very low | 56.2 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | trans | -72 | 101.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | R18 Q22 | R18-A20 PolarHBondContact O-N 2.91Å; A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.41Å | ||
| 21 | V | 51 | Low | 58.6 | Low | 141 Ų | 141 | 108.8 Ų | 108.8 | 86% | 0.855 | 59% | 0.586 | S | S | * | * | trans | -59.1 | 101 | 167.7 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | S19 | S19-V21 PolarHBondContact O-N 3.27Š| ||
| 22 | Q | 58.9 | Low | 60.4 | Low | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 58% | 0.576 | S | S | * | * | trans | -91 | 114.5 | -179 | -156.4 | 165.7 | 19.9 | 0 | 0 | 108.1 | A20 K24 | A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.41Å; Q22-K24 PolarHBondContact O-N 2.87Å | ||
| 23 | M | 62.1 | Low | 61.9 | Low | 141 Ų | 141 | 101.8 Ų | 101.8 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | trans | -61.1 | 132.6 | 175.3 | -67 | -171.6 | -135.3 | 0 | 0 | 109.5 | M46 | M23-M46 HydrophobicContact CB-CE 3.34Å; M23-M46 HydrophobicContact CB-SD 3.84Å; M23-M46 HydrophobicContact CG-CE 4.19Å; M23-M46 HydrophobicContact SD-CE 3.79Å | ||
| 24 | K | 79.5 | Confident | 63.6 | Low | 54 Ų | 54 | 99.7 Ų | 99.7 | 24% | 0.235 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.2 | 172.6 | 75.3 | -175.7 | -172 | -179.3 | 0 | 110 | Q22 L40 L41 W42 S297 | Q22-K24 PolarHBondContact O-N 2.87Å; K24-L40 HydrophobicContact CD-CD2 4.32Å; K24-L41 WeakPolarHBondContact CA-O 3.41Å; K24-L41 WeakPolarHBondContact CB-O 3.16Å; K24-W42 HydrophobicContact CB-CD2 4.24Å; K24-W42 HydrophobicContact CB-CE3 3.82Å; K24-W42 HydrophobicContact CB-CH2 4.3Å; K24-W42 HydrophobicContact CB-CZ3 3.85Å; K24-W42 HydrophobicContact CD-CE3 4.44Å; K24-W42 HydrophobicContact CD-CH2 3.39Å; K24-W42 HydrophobicContact CD-CZ2 3.92Å; K24-W42 HydrophobicContact CD-CZ3 3.67Å; K24-W42 HydrophobicContact CG-CH2 4.46Å; K24-W42 HydrophobicContact CG-CZ3 4.33Å; K24-S297 PolarHBondContact NZ-OG 2.84Å |
| 25 | A | 82.3 | Confident | 65.5 | Low | 18 Ų | 18 | 96.7 Ų | 96.7 | 15% | 0.149 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L40 L41 M46 L49 | A25-L40 WeakPolarHBondContact O-CA 3.41Å; A25-L41 HydrophobicContact CB-CB 4.44Å; A25-L41 PolarHBondContact N-O 2.78Å; A25-L41 VanDerWaalsContact N-O 3.09Å; A25-L41 PolarHBondContact O-N 2.59Å; A25-M46 HydrophobicContact CB-SD 4.39Å; A25-L49 HydrophobicContact CB-CD1 3.55Å; A25-L49 HydrophobicContact CB-CD2 3.88Å; A25-L49 HydrophobicContact CB-CG 4.2Å |
| 26 | V | 87.6 | Confident | 67.9 | Low | 77 Ų | 77 | 99.3 Ų | 99.3 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110 | 125.3 | 176.8 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | A38 L39 L40 | V26-A38 HydrophobicContact CG1-CB 4.11Å; V26-L39 CarbonylContact C-O 3.53Å; V26-L39 WeakPolarHBondContact CA-O 3.49Å; V26-L40 HydrophobicContact CG2-CG 4.3Å |
| 27 | L | 87.1 | Confident | 70.5 | Confident | 43 Ų | 43 | 90 Ų | 90 | 23% | 0.225 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.5 | 177.8 | -62.3 | 174.5 | 0 | 0 | 0 | 109.3 | V29 L39 L41 L49 F52 | L27-V29 PolarHBondContact O-N 3.43Å; L27-L39 HydrophobicContact CB-CB 4.23Å; L27-L39 HydrophobicContact CD1-CD2 4.18Å; L27-L39 PolarHBondContact N-O 2.62Å; L27-L39 PolarHBondContact O-N 3.05Å; L27-L41 HydrophobicContact CD1-CD1 3.7Å; L27-L41 HydrophobicContact CD1-CG 4.29Å; L27-L41 HydrophobicContact CG-CD1 4.43Å; L27-L49 HydrophobicContact CD1-CD2 4.15Å; L27-L49 HydrophobicContact CD2-CD2 3.78Å; L27-L49 HydrophobicContact CG-CD2 4.23Å; L27-F52 HydrophobicContact CD1-CD2 3.54Å; L27-F52 HydrophobicContact CD1-CE2 3.51Å |
| 28 | A | 88 | Confident | 72.7 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 86% | 0.86 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 29 | V | 88.7 | Confident | 75.2 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 19% | 0.188 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149 | 175 | -65.2 | 0 | 0 | 0 | 0 | 109.7 | L27 Q36 G37 L39 F62 L78 | L27-V29 PolarHBondContact O-N 3.43Å; V29-Q36 CarbonylContact O-C 3.37Å; V29-Q36 WeakPolarHBondContact O-CA 3.49Å; V29-G37 WeakPolarHBondContact CG2-O 3.36Å; V29-G37 PolarHBondContact N-O 3.15Å; V29-G37 PolarHBondContact O-N 2.89Å; V29-L39 HydrophobicContact CG1-CB 3.68Å; V29-L39 HydrophobicContact CG1-CD2 3.98Å; V29-L39 HydrophobicContact CG1-CG 4.5Å; V29-L39 HydrophobicContact CG2-CB 4.05Å; V29-F62 HydrophobicContact CG1-CE2 4.42Å; V29-L78 HydrophobicContact CG2-CD1 3.84Å |
| 30 | Q | 86.3 | Confident | 77.4 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 139.7 | 178.4 | -164.6 | 161.1 | 6.7 | 0 | 0 | 109.4 | G34 Q35 Q36 F99 W103 | Q30-G34 PolarHBondContact NE2-O 3.37Å; Q30-Q35 CarbonylContact C-O 3.59Å; Q30-Q35 WeakPolarHBondContact CA-O 3.34Å; Q30-Q35 WeakPolarHBondContact CG-O 3.27Å; Q30-Q36 HydrophobicContact CG-CG 4.25Å; Q30-F99 WeakPolarHBondContact O-CE2 3.46Å; Q30-W103 HydrophobicContact CB-CZ3 4.28Å; Q30-W103 VanDerWaalsContact CD-CZ3 3.46Å; Q30-W103 HydrophobicContact CG-CZ3 4.16Å |
| 31 | Q | 81.7 | Confident | 79.5 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | trans | -101.5 | 162.1 | 176.5 | -69.9 | -172.2 | -54 | 0 | 0 | 111 | G33 G34 Q35 | Q31-G33 PolarHBondContact O-N 3.23Å; Q31-G34 PolarHBondContact O-N 2.91Å; Q31-G34 VanDerWaalsContact O-N 3.12Å; Q31-Q35 PolarHBondContact N-O 2.99Å | ||
| 32 | P | 69.3 | Low | 81 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 132 | 170 | -20.9 | 30.3 | 0 | 0 | 0 | 110.6 | F99 | P32-F99 HydrophobicContact CG-CB 4.31Å; P32-F99 HydrophobicContact CG-CD2 3.94Å |
| 33 | G | 66.7 | Low | 82.2 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 75% | 0.753 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | -1.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q31 | Q31-G33 PolarHBondContact O-N 3.23Š|
| 34 | G | 71.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 92.4 | -4.1 | 170 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q30 Q31 Q36 | Q30-G34 PolarHBondContact NE2-O 3.37Å; Q31-G34 PolarHBondContact O-N 2.91Å; Q31-G34 VanDerWaalsContact O-N 3.12Å; G34-Q36 PolarHBondContact O-N 3.32Å |
| 35 | Q | 78.8 | Confident | 83.4 | Confident | 111 Ų | 111 | 52.7 Ų | 52.7 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | trans | -60.8 | 125 | 176.3 | -176.3 | 175.4 | -4 | 0 | 0 | 110.6 | Q30 Q31 | Q30-Q35 CarbonylContact C-O 3.59Å; Q30-Q35 WeakPolarHBondContact CA-O 3.34Å; Q30-Q35 WeakPolarHBondContact CG-O 3.27Å; Q31-Q35 PolarHBondContact N-O 2.99Å | ||
| 36 | Q | 84.4 | Confident | 83.6 | Confident | 115 Ų | 115 | 54 Ų | 54 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 151.8 | 177.8 | -67 | -178.3 | -21.3 | 0 | 0 | 110.4 | V29 Q30 G34 L75 | V29-Q36 CarbonylContact O-C 3.37Å; V29-Q36 WeakPolarHBondContact O-CA 3.49Å; Q30-Q36 HydrophobicContact CG-CG 4.25Å; G34-Q36 PolarHBondContact O-N 3.32Å; Q36-L75 HydrophobicContact CB-CD2 3.91Å |
| 37 | G | 85.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 164.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V29 T76 | V29-G37 WeakPolarHBondContact CG2-O 3.36Å; V29-G37 PolarHBondContact N-O 3.15Å; V29-G37 PolarHBondContact O-N 2.89Å; G37-T76 WeakPolarHBondContact CA-O 3.5Å |
| 38 | A | 89.3 | Confident | 83.8 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V26 L40 T76 E77 L78 | V26-A38 HydrophobicContact CG1-CB 4.11Å; A38-L40 HydrophobicContact CB-CD1 4.44Å; A38-L40 WeakPolarHBondContact O-CD1 3.46Å; A38-T76 PolarHBondContact N-O 2.94Å; A38-E77 CarbonylContact O-C 3.41Å; A38-E77 WeakPolarHBondContact O-CA 3.33Å; A38-L78 PolarHBondContact O-N 2.7Å |
| 39 | L | 91.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.1 | 174 | 173.4 | 67.7 | 0 | 0 | 0 | 110 | V26 L27 V29 L41 F62 L65 L78 | V26-L39 CarbonylContact C-O 3.53Å; V26-L39 WeakPolarHBondContact CA-O 3.49Å; L27-L39 HydrophobicContact CB-CB 4.23Å; L27-L39 HydrophobicContact CD1-CD2 4.18Å; L27-L39 PolarHBondContact N-O 2.62Å; L27-L39 PolarHBondContact O-N 3.05Å; V29-L39 HydrophobicContact CG1-CB 3.68Å; V29-L39 HydrophobicContact CG1-CD2 3.98Å; V29-L39 HydrophobicContact CG1-CG 4.5Å; V29-L39 HydrophobicContact CG2-CB 4.05Å; L39-L41 HydrophobicContact CD1-CD2 4.26Å; L39-L41 HydrophobicContact CD2-CD2 4.01Å; L39-L41 HydrophobicContact CG-CD2 3.94Å; L39-F62 HydrophobicContact CD2-CD1 3.68Å; L39-F62 HydrophobicContact CD2-CD2 4.4Å; L39-F62 HydrophobicContact CD2-CE1 3.23Å; L39-F62 HydrophobicContact CD2-CE2 4.03Å; L39-F62 HydrophobicContact CD2-CG 4.24Å; L39-F62 HydrophobicContact CD2-CZ 3.44Å; L39-F62 VanDerWaalsContact CD2-CZ 3.44Å; L39-L65 HydrophobicContact CD1-CD1 3.89Å; L39-L65 HydrophobicContact CD1-CD2 3.82Å; L39-L78 CarbonylContact C-O 3.59Å; L39-L78 VanDerWaalsContact CA-O 3.3Å; L39-L78 WeakPolarHBondContact CA-O 3.36Å; L39-L78 HydrophobicContact CD1-CB 4.1Å; L39-L78 WeakPolarHBondContact CD1-O 3.33Å |
| 40 | L | 90.6 | Very high | 83.7 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.2 | 176.4 | -64.2 | 90.1 | 0 | 0 | 0 | 109.8 | K24 A25 V26 A38 W42 E77 L78 S80 | K24-L40 HydrophobicContact CD-CD2 4.32Å; A25-L40 WeakPolarHBondContact O-CA 3.41Å; V26-L40 HydrophobicContact CG2-CG 4.3Å; A38-L40 HydrophobicContact CB-CD1 4.44Å; A38-L40 WeakPolarHBondContact O-CD1 3.46Å; L40-W42 HydrophobicContact CB-CZ2 4.25Å; L40-W42 HydrophobicContact CD2-CZ2 3.77Å; L40-E77 HydrophobicContact CD1-CB 3.81Å; L40-E77 HydrophobicContact CD1-CG 4.02Å; L40-L78 PolarHBondContact N-O 3.35Å; L40-S80 PolarHBondContact O-N 2.87Å; L40-S80 PolarHBondContact O-OG 3.05Å |
| 41 | L | 88.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 128.1 | 174.1 | -55.8 | 179.5 | 0 | 0 | 0 | 109.9 | K24 A25 L27 L39 A45 W48 L49 F52 S80 | K24-L41 WeakPolarHBondContact CA-O 3.41Å; K24-L41 WeakPolarHBondContact CB-O 3.16Å; A25-L41 HydrophobicContact CB-CB 4.44Å; A25-L41 PolarHBondContact N-O 2.78Å; A25-L41 VanDerWaalsContact N-O 3.09Å; A25-L41 PolarHBondContact O-N 2.59Å; L27-L41 HydrophobicContact CD1-CD1 3.7Å; L27-L41 HydrophobicContact CD1-CG 4.29Å; L27-L41 HydrophobicContact CG-CD1 4.43Å; L39-L41 HydrophobicContact CD1-CD2 4.26Å; L39-L41 HydrophobicContact CD2-CD2 4.01Å; L39-L41 HydrophobicContact CG-CD2 3.94Å; L41-A45 HydrophobicContact CB-CB 4.13Å; L41-A45 HydrophobicContact CD2-CB 4.18Å; L41-W48 HydrophobicContact CD2-CE3 3.69Å; L41-W48 HydrophobicContact CD2-CZ3 3.9Å; L41-L49 HydrophobicContact CD1-CD2 3.9Å; L41-L49 HydrophobicContact CD1-CG 4.06Å; L41-F52 HydrophobicContact CD1-CE2 3.96Å; L41-S80 WeakPolarHBondContact CA-OG 3.43Å |
| 42 | W | 83.9 | Confident | 84.2 | Confident | 65 Ų | 65 | 54.3 Ų | 54.3 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.2 | -176.8 | -58.8 | 94.1 | 0 | 0 | 0 | 110.6 | K24 L40 T44 A45 H79 S80 | K24-W42 HydrophobicContact CB-CD2 4.24Å; K24-W42 HydrophobicContact CB-CE3 3.82Å; K24-W42 HydrophobicContact CB-CH2 4.3Å; K24-W42 HydrophobicContact CB-CZ3 3.85Å; K24-W42 HydrophobicContact CD-CE3 4.44Å; K24-W42 HydrophobicContact CD-CH2 3.39Å; K24-W42 HydrophobicContact CD-CZ2 3.92Å; K24-W42 HydrophobicContact CD-CZ3 3.67Å; K24-W42 HydrophobicContact CG-CH2 4.46Å; K24-W42 HydrophobicContact CG-CZ3 4.33Å; L40-W42 HydrophobicContact CB-CZ2 4.25Å; L40-W42 HydrophobicContact CD2-CZ2 3.77Å; W42-T44 PolarHBondContact O-N 3.07Å; W42-A45 WeakPolarHBondContact O-CB 3.49Å; W42-A45 PolarHBondContact O-N 3.29Å; W42-A45 VanDerWaalsContact O-N 3.08Å; W42-H79 AromaticContact CE2-ND1 3.75Å; W42-H79 AromaticContact CZ2-ND1 3.7Å; W42-H79 AromaticContact NE1-CG 3.81Å; W42-H79 AromaticContact NE1-ND1 3.24Å; W42-H79 PolarHBondContact NE1-ND1 3.37Å; W42-S80 PolarHBondContact N-OG 2.89Å |
| 43 | G | 83.8 | Confident | 84.7 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | 54.8 | -123.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A45 M46 | G43-A45 PolarHBondContact O-N 2.96Å; G43-M46 WeakPolarHBondContact O-CB 3.4Å; G43-M46 WeakPolarHBondContact O-CG 3.22Å; G43-M46 PolarHBondContact O-N 3.02Å; G43-M46 VanDerWaalsContact O-N 3.09Å |
| 44 | T | 81.4 | Confident | 85.5 | Confident | 113 Ų | 113 | 58.7 Ų | 58.7 | 69% | 0.693 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -63.6 | -20.1 | -178 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | W42 M46 D47 | W42-T44 PolarHBondContact O-N 3.07Å; T44-M46 PolarHBondContact O-N 2.87Å; T44-D47 WeakPolarHBondContact O-CB 3.48Å; T44-D47 PolarHBondContact O-N 3.09Å |
| 45 | A | 85.9 | Confident | 86 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -66.5 | -17 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L41 W42 G43 D47 W48 S80 | L41-A45 HydrophobicContact CB-CB 4.13Å; L41-A45 HydrophobicContact CD2-CB 4.18Å; W42-A45 WeakPolarHBondContact O-CB 3.49Å; W42-A45 PolarHBondContact O-N 3.29Å; W42-A45 VanDerWaalsContact O-N 3.08Å; G43-A45 PolarHBondContact O-N 2.96Å; A45-D47 PolarHBondContact O-N 3.12Å; A45-W48 HydrophobicContact CB-CD2 4.23Å; A45-W48 HydrophobicContact CB-CE3 4.18Å; A45-W48 HydrophobicContact CB-CH2 4.14Å; A45-W48 HydrophobicContact CB-CZ2 4.16Å; A45-W48 HydrophobicContact CB-CZ3 4.14Å; A45-W48 VanDerWaalsContact O-CB 3.31Å; A45-W48 WeakPolarHBondContact O-CB 3.49Å; A45-W48 PolarHBondContact O-N 3.03Å; A45-W48 VanDerWaalsContact O-N 3.16Å; A45-S80 WeakPolarHBondContact CB-OG 3.45Å |
| 46 | M | 86.5 | Confident | 86 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -64.6 | -22.6 | 174.5 | -65.3 | -140.5 | -53.1 | 0 | 0 | 113.4 | M23 A25 G43 T44 W48 L49 | M23-M46 HydrophobicContact CB-CE 3.34Å; M23-M46 HydrophobicContact CB-SD 3.84Å; M23-M46 HydrophobicContact CG-CE 4.19Å; M23-M46 HydrophobicContact SD-CE 3.79Å; A25-M46 HydrophobicContact CB-SD 4.39Å; G43-M46 WeakPolarHBondContact O-CB 3.4Å; G43-M46 WeakPolarHBondContact O-CG 3.22Å; G43-M46 PolarHBondContact O-N 3.02Å; G43-M46 VanDerWaalsContact O-N 3.09Å; T44-M46 PolarHBondContact O-N 2.87Å; M46-W48 PolarHBondContact O-N 3.33Å; M46-L49 HydrophobicContact CB-CD1 4.38Å; M46-L49 WeakPolarHBondContact O-CB 3.49Å; M46-L49 WeakPolarHBondContact O-CG 3.37Å; M46-L49 PolarHBondContact O-N 3.27Å; M46-L49 VanDerWaalsContact O-N 3.08Å |
| 47 | D | 87.9 | Confident | 85.8 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 65% | 0.652 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -64 | -8.7 | 175.2 | -65.7 | -25.7 | 0 | 0 | 0 | 112.7 | T44 A45 P50 | T44-D47 WeakPolarHBondContact O-CB 3.48Å; T44-D47 PolarHBondContact O-N 3.09Å; A45-D47 PolarHBondContact O-N 3.12Å; D47-P50 WeakPolarHBondContact O-CD 3.25Å |
| 48 | W | 90.6 | Very high | 85.9 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 14% | 0.136 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -82.1 | -23.9 | 176.3 | -52.4 | -10.6 | 0 | 0 | 0 | 113 | L41 A45 M46 P50 R51 F52 F62 V86 | L41-W48 HydrophobicContact CD2-CE3 3.69Å; L41-W48 HydrophobicContact CD2-CZ3 3.9Å; A45-W48 HydrophobicContact CB-CD2 4.23Å; A45-W48 HydrophobicContact CB-CE3 4.18Å; A45-W48 HydrophobicContact CB-CH2 4.14Å; A45-W48 HydrophobicContact CB-CZ2 4.16Å; A45-W48 HydrophobicContact CB-CZ3 4.14Å; A45-W48 VanDerWaalsContact O-CB 3.31Å; A45-W48 WeakPolarHBondContact O-CB 3.49Å; A45-W48 PolarHBondContact O-N 3.03Å; A45-W48 VanDerWaalsContact O-N 3.16Å; M46-W48 PolarHBondContact O-N 3.33Å; W48-P50 VanDerWaalsContact C-CD 3.49Å; W48-R51 WeakPolarHBondContact O-CA 3.44Å; W48-R51 VanDerWaalsContact O-CB 3.27Å; W48-R51 WeakPolarHBondContact O-CB 3.39Å; W48-R51 PolarHBondContact O-N 3.25Å; W48-F52 HydrophobicContact CB-CE1 4.34Å; W48-F52 HydrophobicContact CB-CE2 3.59Å; W48-F52 HydrophobicContact CB-CZ 3.47Å; W48-F52 VanDerWaalsContact CB-CZ 3.47Å; W48-F52 HydrophobicContact CE3-CZ 4.26Å; W48-F52 HydrophobicContact CG-CZ 4.41Å; W48-F52 WeakPolarHBondContact O-CD2 3.46Å; W48-F52 PolarHBondContact O-N 3.45Å; W48-F62 HydrophobicContact CE3-CE1 4.46Å; W48-F62 HydrophobicContact CZ3-CD1 4.29Å; W48-V86 HydrophobicContact CB-CG1 4.08Å; W48-V86 HydrophobicContact CD2-CB 4.06Å; W48-V86 HydrophobicContact CD2-CG1 3.3Å; W48-V86 HydrophobicContact CE3-CB 3.85Å; W48-V86 HydrophobicContact CE3-CG1 3.6Å; W48-V86 HydrophobicContact CG-CG1 3.52Å; W48-V86 HydrophobicContact CH2-CB 4.34Å; W48-V86 HydrophobicContact CH2-CG1 4.44Å; W48-V86 HydrophobicContact CZ2-CG1 4.23Å; W48-V86 HydrophobicContact CZ3-CB 4Å; W48-V86 HydrophobicContact CZ3-CG1 4.17Å |
| 49 | L | 88.1 | Confident | 85.9 | Confident | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.8 | -43.1 | -177 | -67.9 | 165.9 | 0 | 0 | 0 | 114.1 | A25 L27 L41 M46 R51 F52 S53 | A25-L49 HydrophobicContact CB-CD1 3.55Å; A25-L49 HydrophobicContact CB-CD2 3.88Å; A25-L49 HydrophobicContact CB-CG 4.2Å; L27-L49 HydrophobicContact CD1-CD2 4.15Å; L27-L49 HydrophobicContact CD2-CD2 3.78Å; L27-L49 HydrophobicContact CG-CD2 4.23Å; L41-L49 HydrophobicContact CD1-CD2 3.9Å; L41-L49 HydrophobicContact CD1-CG 4.06Å; M46-L49 HydrophobicContact CB-CD1 4.38Å; M46-L49 WeakPolarHBondContact O-CB 3.49Å; M46-L49 WeakPolarHBondContact O-CG 3.37Å; M46-L49 PolarHBondContact O-N 3.27Å; M46-L49 VanDerWaalsContact O-N 3.08Å; L49-R51 PolarHBondContact O-N 2.95Å; L49-F52 HydrophobicContact CD2-CD2 4.42Å; L49-F52 PolarHBondContact O-N 2.97Å; L49-S53 PolarHBondContact O-N 2.67Å; L49-S53 VanDerWaalsContact O-N 3.14Å; L49-S53 PolarHBondContact O-OG 3.04Å; L49-S53 VanDerWaalsContact O-OG 3.13Å |
| 50 | P | 86.5 | Confident | 86 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 56% | 0.558 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.4 | -30.8 | 176.1 | -22.5 | 35.2 | 0 | 0 | 0 | 112.8 | D47 W48 S53 K54 | D47-P50 WeakPolarHBondContact O-CD 3.25Å; W48-P50 VanDerWaalsContact C-CD 3.49Å; P50-S53 PolarHBondContact O-N 3.02Å; P50-K54 WeakPolarHBondContact O-CB 3.22Å; P50-K54 PolarHBondContact O-N 2.76Å |
| 51 | R | 89.1 | Confident | 86 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 41% | 0.408 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.5 | -41.9 | 179.5 | -57.5 | 176.1 | 64.8 | -169.5 | -0.8 | 111.1 | W48 L49 S53 K54 H55 W60 V86 | W48-R51 WeakPolarHBondContact O-CA 3.44Å; W48-R51 VanDerWaalsContact O-CB 3.27Å; W48-R51 WeakPolarHBondContact O-CB 3.39Å; W48-R51 PolarHBondContact O-N 3.25Å; L49-R51 PolarHBondContact O-N 2.95Å; R51-S53 VanDerWaalsContact C-N 3.33Å; R51-K54 PolarHBondContact O-N 3.47Å; R51-H55 PolarHBondContact O-N 2.82Å; R51-H55 VanDerWaalsContact O-N 3.08Å; R51-W60 HydrophobicContact CB-CH2 3.87Å; R51-V86 PolarHBondContact NH1-O 3.24Å |
| 52 | F | 88.3 | Confident | 86.2 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176 | -52.3 | -36.9 | 0 | 0 | 0 | 111.5 | L27 L41 W48 L49 K54 H55 K56 W60 F62 V86 | L27-F52 HydrophobicContact CD1-CD2 3.54Å; L27-F52 HydrophobicContact CD1-CE2 3.51Å; L41-F52 HydrophobicContact CD1-CE2 3.96Å; W48-F52 HydrophobicContact CB-CE1 4.34Å; W48-F52 HydrophobicContact CB-CE2 3.59Å; W48-F52 HydrophobicContact CB-CZ 3.47Å; W48-F52 VanDerWaalsContact CB-CZ 3.47Å; W48-F52 HydrophobicContact CE3-CZ 4.26Å; W48-F52 HydrophobicContact CG-CZ 4.41Å; W48-F52 WeakPolarHBondContact O-CD2 3.46Å; W48-F52 PolarHBondContact O-N 3.45Å; L49-F52 HydrophobicContact CD2-CD2 4.42Å; L49-F52 PolarHBondContact O-N 2.97Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 PolarHBondContact O-N 3.49Å; F52-H55 CarbonylContact O-C 3.58Å; F52-H55 PolarHBondContact O-N 2.82Å; F52-K56 PolarHBondContact O-N 3.23Å; F52-W60 AromaticContact CD1-CD2 3.71Å; F52-W60 HydrophobicContact CD1-CD2 3.71Å; F52-W60 AromaticContact CD1-CE2 3.46Å; F52-W60 VanDerWaalsContact CD1-CE2 3.46Å; F52-W60 HydrophobicContact CD1-CE3 4.14Å; F52-W60 HydrophobicContact CD1-CG 4.17Å; F52-W60 HydrophobicContact CD1-CH2 4.07Å; F52-W60 AromaticContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ3 4.31Å; F52-W60 AromaticContact CD1-NE1 3.81Å; F52-W60 AromaticContact CE1-CD2 3.7Å; F52-W60 HydrophobicContact CE1-CD2 3.7Å; F52-W60 AromaticContact CE1-CE2 3.96Å; F52-W60 AromaticContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CG 4.14Å; F52-W60 HydrophobicContact CE1-CH2 4.32Å; F52-W60 HydrophobicContact CE1-CZ2 4.24Å; F52-W60 HydrophobicContact CE1-CZ3 4.11Å; F52-F62 HydrophobicContact CE1-CE1 4.13Å; F52-F62 HydrophobicContact CE1-CZ 4.07Å; F52-F62 HydrophobicContact CE2-CE1 4.46Å; F52-F62 AromaticContact CZ-CE1 3.64Å; F52-F62 HydrophobicContact CZ-CE1 3.64Å; F52-F62 AromaticContact CZ-CZ 3.91Å; F52-F62 HydrophobicContact CZ-CZ 3.91Å; F52-V86 HydrophobicContact CE1-CG2 3.8Å; F52-V86 HydrophobicContact CZ-CG1 4.36Å; F52-V86 HydrophobicContact CZ-CG2 4Å |
| 53 | S | 80.8 | Confident | 86.6 | Confident | 83 Ų | 83 | 74 Ų | 74 | 58% | 0.58 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.6 | -34.2 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | L49 P50 R51 K56 | L49-S53 PolarHBondContact O-N 2.67Å; L49-S53 VanDerWaalsContact O-N 3.14Å; L49-S53 PolarHBondContact O-OG 3.04Å; L49-S53 VanDerWaalsContact O-OG 3.13Å; P50-S53 PolarHBondContact O-N 3.02Å; R51-S53 VanDerWaalsContact C-N 3.33Å; S53-K56 WeakPolarHBondContact O-CG 3.4Å |
| 54 | K | 82.6 | Confident | 86.9 | Confident | 164 Ų | 164 | 76.6 Ų | 76.6 | 71% | 0.713 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -75.2 | -33.3 | 178.4 | -174 | 179 | 177.3 | -175.7 | 0 | 113 | P50 R51 F52 | P50-K54 WeakPolarHBondContact O-CB 3.22Å; P50-K54 PolarHBondContact O-N 2.76Å; R51-K54 PolarHBondContact O-N 3.47Å; F52-K54 VanDerWaalsContact C-N 3.31Å; F52-K54 PolarHBondContact O-N 3.49Å |
| 55 | H | 81.8 | Confident | 87.4 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | trans | -123.8 | 66.7 | -176.4 | -55.6 | -78 | 0 | 0 | 0 | 110.5 | R51 F52 D57 A58 W60 | R51-H55 PolarHBondContact O-N 2.82Å; R51-H55 VanDerWaalsContact O-N 3.08Å; F52-H55 CarbonylContact O-C 3.58Å; F52-H55 PolarHBondContact O-N 2.82Å; H55-D57 PolarHBondContact O-N 3.32Å; H55-A58 HydrophobicContact CB-CB 3.91Å; H55-A58 WeakPolarHBondContact O-CB 3.23Å; H55-A58 PolarHBondContact O-N 3.33Å; H55-W60 HydrophobicContact CB-CZ2 3.93Å | ||
| 56 | K | 78.3 | Confident | 87.5 | Confident | 153 Ų | 153 | 76.9 Ų | 76.9 | 67% | 0.665 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -30.8 | -176.5 | -66.6 | -169.3 | 174.1 | -167.9 | 0 | 113.4 | F52 S53 A58 | F52-K56 PolarHBondContact O-N 3.23Å; S53-K56 WeakPolarHBondContact O-CG 3.4Å; K56-A58 VanDerWaalsContact C-N 3.34Å |
| 57 | D | 80.8 | Confident | 87.6 | Confident | 163 Ų | 163 | 79 Ų | 79 | 87% | 0.872 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.3 | -177.4 | -51 | -46 | 0 | 0 | 0 | 113.2 | H55 | H55-D57 PolarHBondContact O-N 3.32Š|
| 58 | A | 87 | Confident | 87.3 | Confident | 32 Ų | 32 | 80.2 Ų | 80.2 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | trans | -81 | 141.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H55 K56 W60 A88 | H55-A58 HydrophobicContact CB-CB 3.91Å; H55-A58 WeakPolarHBondContact O-CB 3.23Å; H55-A58 PolarHBondContact O-N 3.33Å; K56-A58 VanDerWaalsContact C-N 3.34Å; A58-W60 HydrophobicContact CB-CZ2 4.32Å; A58-W60 PolarHBondContact O-NE1 3.41Å; A58-A88 HydrophobicContact CB-CB 4.3Å | ||
| 59 | V | 90.1 | Very high | 86.7 | Confident | 25 Ų | 25 | 87.1 Ų | 87.1 | 15% | 0.152 | 43% | 0.43 | C | S | . | . | trans | -84.6 | 129.6 | 167.2 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | L89 A96 F99 L100 | V59-L89 HydrophobicContact CB-CB 4.49Å; V59-L89 HydrophobicContact CB-CD1 4.46Å; V59-L89 HydrophobicContact CG1-CD1 3.95Å; V59-L89 WeakPolarHBondContact O-CB 3.35Å; V59-L89 PolarHBondContact O-N 3.41Å; V59-A96 HydrophobicContact CB-CB 4.25Å; V59-A96 HydrophobicContact CG2-CB 4.3Å; V59-F99 HydrophobicContact CG1-CB 4.31Å; V59-F99 HydrophobicContact CG1-CD1 4.05Å; V59-F99 HydrophobicContact CG1-CG 4.15Å; V59-F99 HydrophobicContact CG2-CD1 3.63Å; V59-F99 HydrophobicContact CG2-CE1 4.22Å; V59-F99 HydrophobicContact CG2-CG 4.42Å; V59-L100 HydrophobicContact CG2-CG 4.4Å | ||
| 60 | W | 92.4 | Very high | 85.5 | Confident | 42 Ų | 42 | 85.6 Ų | 85.6 | 16% | 0.159 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.2 | -175.1 | -63.9 | 92.7 | 0 | 0 | 0 | 111.8 | R51 F52 H55 A58 F62 V86 A88 | R51-W60 HydrophobicContact CB-CH2 3.87Å; F52-W60 AromaticContact CD1-CD2 3.71Å; F52-W60 HydrophobicContact CD1-CD2 3.71Å; F52-W60 AromaticContact CD1-CE2 3.46Å; F52-W60 VanDerWaalsContact CD1-CE2 3.46Å; F52-W60 HydrophobicContact CD1-CE3 4.14Å; F52-W60 HydrophobicContact CD1-CG 4.17Å; F52-W60 HydrophobicContact CD1-CH2 4.07Å; F52-W60 AromaticContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ2 3.64Å; F52-W60 HydrophobicContact CD1-CZ3 4.31Å; F52-W60 AromaticContact CD1-NE1 3.81Å; F52-W60 AromaticContact CE1-CD2 3.7Å; F52-W60 HydrophobicContact CE1-CD2 3.7Å; F52-W60 AromaticContact CE1-CE2 3.96Å; F52-W60 AromaticContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CE3 3.79Å; F52-W60 HydrophobicContact CE1-CG 4.14Å; F52-W60 HydrophobicContact CE1-CH2 4.32Å; F52-W60 HydrophobicContact CE1-CZ2 4.24Å; F52-W60 HydrophobicContact CE1-CZ3 4.11Å; H55-W60 HydrophobicContact CB-CZ2 3.93Å; A58-W60 HydrophobicContact CB-CZ2 4.32Å; A58-W60 PolarHBondContact O-NE1 3.41Å; W60-F62 HydrophobicContact CB-CD2 4.22Å; W60-F62 HydrophobicContact CB-CE2 3.54Å; W60-F62 HydrophobicContact CB-CZ 3.84Å; W60-V86 HydrophobicContact CB-CG2 4.38Å; W60-V86 HydrophobicContact CD2-CG2 4.46Å; W60-V86 HydrophobicContact CE3-CG2 3.74Å; W60-V86 HydrophobicContact CZ3-CG2 4.43Å; W60-A88 HydrophobicContact CD2-CB 4.5Å; W60-A88 HydrophobicContact CE3-CB 4Å; W60-A88 HydrophobicContact CH2-CB 4.14Å; W60-A88 HydrophobicContact CZ3-CB 3.82Å |
| 61 | D | 92.1 | Very high | 84.2 | Confident | 23 Ų | 23 | 89.4 Ų | 89.4 | 12% | 0.123 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 106.6 | 173.4 | 175 | 22.1 | 0 | 0 | 0 | 108.7 | R63 V86 R87 L89 R95 | D61-R63 IonicContact OD1-NE 3.56Å; D61-R63 IonicContact OD2-CZ 3.49Å; D61-R63 IonicContact OD2-NE 3.2Å; D61-R63 PolarHBondContact OD2-NE 2.86Å; D61-R63 IonicContact OD2-NH2 3.65Å; D61-R63 PolarHBondContact OD2-NH2 3.35Å; D61-V86 WeakPolarHBondContact O-CA 3.22Å; D61-R87 HydrophobicContact CB-CG 3.85Å; D61-R87 PolarHBondContact N-O 3.38Å; D61-R87 PolarHBondContact O-N 2.92Å; D61-R87 IonicContact OD2-CZ 3.55Å; D61-R87 IonicContact OD2-NE 3.47Å; D61-R87 PolarHBondContact OD2-NE 3.08Å; D61-R87 IonicContact OD2-NH2 3.12Å; D61-R87 PolarHBondContact OD2-NH2 3.06Å; D61-L89 HydrophobicContact CB-CD1 4.36Å; D61-L89 HydrophobicContact CB-CD2 3.47Å; D61-L89 VanDerWaalsContact CB-CD2 3.47Å; D61-L89 HydrophobicContact CB-CG 3.88Å; D61-R95 VanDerWaalsContact CG-NH1 3.27Å; D61-R95 IonicContact OD1-NH1 2.76Å; D61-R95 IonicContact OD2-CZ 2.67Å; D61-R95 IonicContact OD2-NH1 3.58Å; D61-R95 PolarHBondContact OD2-NH1 3.25Å; D61-R95 IonicContact OD2-NH2 2.97Å |
| 62 | F | 92.8 | Very high | 82.6 | Confident | 48 Ų | 48 | 88.3 Ų | 88.3 | 21% | 0.211 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136 | 175.2 | -59.6 | -89 | 0 | 0 | 0 | 109.9 | V29 L39 W48 F52 W60 L65 S85 V86 | V29-F62 HydrophobicContact CG1-CE2 4.42Å; L39-F62 HydrophobicContact CD2-CD1 3.68Å; L39-F62 HydrophobicContact CD2-CD2 4.4Å; L39-F62 HydrophobicContact CD2-CE1 3.23Å; L39-F62 HydrophobicContact CD2-CE2 4.03Å; L39-F62 HydrophobicContact CD2-CG 4.24Å; L39-F62 HydrophobicContact CD2-CZ 3.44Å; L39-F62 VanDerWaalsContact CD2-CZ 3.44Å; W48-F62 HydrophobicContact CE3-CE1 4.46Å; W48-F62 HydrophobicContact CZ3-CD1 4.29Å; F52-F62 HydrophobicContact CE1-CE1 4.13Å; F52-F62 HydrophobicContact CE1-CZ 4.07Å; F52-F62 HydrophobicContact CE2-CE1 4.46Å; F52-F62 AromaticContact CZ-CE1 3.64Å; F52-F62 HydrophobicContact CZ-CE1 3.64Å; F52-F62 AromaticContact CZ-CZ 3.91Å; F52-F62 HydrophobicContact CZ-CZ 3.91Å; W60-F62 HydrophobicContact CB-CD2 4.22Å; W60-F62 HydrophobicContact CB-CE2 3.54Å; W60-F62 HydrophobicContact CB-CZ 3.84Å; F62-L65 HydrophobicContact CB-CD1 3.66Å; F62-L65 HydrophobicContact CB-CD2 4.42Å; F62-L65 HydrophobicContact CB-CG 4.18Å; F62-L65 HydrophobicContact CG-CD1 4.43Å; F62-S85 WeakPolarHBondContact CA-O 3.24Å; F62-V86 HydrophobicContact CD1-CB 3.97Å; F62-V86 HydrophobicContact CD1-CG2 3.54Å; F62-V86 HydrophobicContact CE1-CB 4.13Å; F62-V86 HydrophobicContact CE1-CG2 3.4Å; F62-V86 HydrophobicContact CG-CG2 4.25Å; F62-V86 HydrophobicContact CZ-CG2 4.01Å |
| 63 | R | 91.6 | Very high | 81.4 | Confident | 105 Ų | 105 | 89.4 Ų | 89.4 | 40% | 0.396 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.5 | -177.9 | -59.4 | -178.7 | 177.1 | -145.3 | -8.1 | 111.3 | D61 S84 S85 R87 | D61-R63 IonicContact OD1-NE 3.56Å; D61-R63 IonicContact OD2-CZ 3.49Å; D61-R63 IonicContact OD2-NE 3.2Å; D61-R63 PolarHBondContact OD2-NE 2.86Å; D61-R63 IonicContact OD2-NH2 3.65Å; D61-R63 PolarHBondContact OD2-NH2 3.35Å; R63-S84 WeakPolarHBondContact O-CA 3.38Å; R63-S84 WeakPolarHBondContact O-CB 3.24Å; R63-S85 PolarHBondContact N-O 2.86Å; R63-S85 PolarHBondContact O-N 3.07Å; R63-R87 VanDerWaalsContact NH2-CZ 3.31Å |
| 64 | V | 90.4 | Very high | 80.9 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.3 | 52.8 | 174.9 | -163 | 0 | 0 | 0 | 0 | 111.2 | T81 W83 S84 | V64-T81 PolarHBondContact O-OG1 2.89Å; V64-T81 VanDerWaalsContact O-OG1 3.05Å; V64-W83 HydrophobicContact CG1-CB 4.06Å; V64-S84 PolarHBondContact O-OG 2.97Å |
| 65 | L | 91.6 | Very high | 80.6 | Confident | 42 Ų | 42 | 89.1 Ų | 89.1 | 22% | 0.22 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 142.9 | 173.1 | -59.6 | 177.8 | 0 | 0 | 0 | 109.4 | L39 F62 L78 H79 | L39-L65 HydrophobicContact CD1-CD1 3.89Å; L39-L65 HydrophobicContact CD1-CD2 3.82Å; F62-L65 HydrophobicContact CB-CD1 3.66Å; F62-L65 HydrophobicContact CB-CD2 4.42Å; F62-L65 HydrophobicContact CB-CG 4.18Å; F62-L65 HydrophobicContact CG-CD1 4.43Å; L65-L78 HydrophobicContact CB-CB 4.5Å; L65-L78 HydrophobicContact CD1-CB 3.99Å; L65-L78 HydrophobicContact CD1-CD1 4.24Å; L65-H79 WeakPolarHBondContact CA-O 3.45Å |
| 66 | L | 88.6 | Confident | 80.7 | Confident | 80 Ų | 80 | 87 Ų | 87 | 42% | 0.419 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122.7 | 169.1 | 174.1 | 68.8 | 0 | 0 | 0 | 108.6 | R68 L78 H79 T81 | L66-R68 HydrophobicContact CD2-CG 4.44Å; L66-R68 HydrophobicContact CG-CG 4.35Å; L66-L78 CarbonylContact O-C 3.58Å; L66-H79 HydrophobicContact CB-CB 4.23Å; L66-H79 PolarHBondContact N-O 3.36Å; L66-H79 PolarHBondContact O-N 2.99Å; L66-T81 HydrophobicContact CB-CG2 3.94Å |
| 67 | V | 88.8 | Confident | 81.2 | Confident | 90 Ų | 90 | 80.8 Ų | 80.8 | 55% | 0.545 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.7 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | T76 E77 L78 | V67-T76 HydrophobicContact CG1-CG2 3.35Å; V67-E77 CarbonylContact C-O 3.57Å; V67-E77 WeakPolarHBondContact CA-O 3.44Å; V67-L78 HydrophobicContact CB-CD2 4.44Å; V67-L78 HydrophobicContact CG1-CD2 4.25Å; V67-L78 HydrophobicContact CG2-CD2 3.82Å |
| 68 | R | 82.1 | Confident | 81.8 | Confident | 149 Ų | 149 | 74.2 Ų | 74.2 | 56% | 0.562 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.8 | 172.6 | -69.8 | -171.1 | 170.5 | -129.1 | -1.2 | 110.1 | L66 E77 | L66-R68 HydrophobicContact CD2-CG 4.44Å; L66-R68 HydrophobicContact CG-CG 4.35Å; R68-E77 HydrophobicContact CB-CB 4.33Å; R68-E77 PolarHBondContact N-O 2.78Å; R68-E77 WeakPolarHBondContact O-CA 3.46Å; R68-E77 PolarHBondContact O-N 2.85Å |
| 69 | E | 77.4 | Confident | 81.9 | Confident | 181 Ų | 181 | 73.7 Ų | 73.7 | 85% | 0.846 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127.3 | 165.3 | -68.5 | 179.3 | 176 | 0 | 0 | 107.9 | ||
| 70 | G | 63.5 | Low | 81.9 | Confident | 18 Ų | 18 | 73 Ų | 73 | 19% | 0.186 | 38% | 0.376 | C | S | . | . | trans | -67.7 | 133.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T72 E77 | G70-T72 PolarHBondContact O-N 2.9Å; G70-E77 VanDerWaalsContact CA-OE1 3.32Å; G70-E77 WeakPolarHBondContact CA-OE1 3.39Å | ||
| 71 | L | 57.8 | Low | 81.6 | Confident | 167 Ų | 167 | 72.7 Ų | 72.7 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -77 | -15.7 | 174.6 | -65.8 | 174.2 | 0 | 0 | 0 | 112.2 | ||
| 72 | T | 56.7 | Low | 81.1 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -125.9 | -3.5 | -171.5 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | G70 | G70-T72 PolarHBondContact O-N 2.9Š|
| 73 | S | 62.5 | Low | 80.8 | Confident | 48 Ų | 48 | 84.5 Ų | 84.5 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | trans | -142.5 | 139.7 | 179.7 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | L75 | S73-L75 PolarHBondContact O-N 3.07Å; S73-L75 VanDerWaalsContact O-N 3.11Å; S73-L75 WeakPolarHBondContact OG-CB 3.36Å; S73-L75 WeakPolarHBondContact OG-CG 3.17Å; S73-L75 PolarHBondContact OG-N 2.83Å | ||
| 74 | D | 71.1 | Confident | 80.7 | Confident | 178 Ų | 178 | 80.2 Ų | 80.2 | 95% | 0.952 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -67.9 | -4.3 | 171.4 | -58.7 | -32 | 0 | 0 | 0 | 112.4 | ||
| 75 | L | 74.9 | Confident | 80.7 | Confident | 63 Ų | 63 | 78.6 Ų | 78.6 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -82.6 | 142.8 | 177.6 | -61.5 | 178.6 | 0 | 0 | 0 | 111.3 | Q36 S73 E77 | Q36-L75 HydrophobicContact CB-CD2 3.91Å; S73-L75 PolarHBondContact O-N 3.07Å; S73-L75 VanDerWaalsContact O-N 3.11Å; S73-L75 WeakPolarHBondContact OG-CB 3.36Å; S73-L75 WeakPolarHBondContact OG-CG 3.17Å; S73-L75 PolarHBondContact OG-N 2.83Å; L75-E77 PolarHBondContact O-N 3.2Å |
| 76 | T | 83.8 | Confident | 80.8 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 124.3 | 171.5 | -49.8 | 0 | 0 | 0 | 0 | 110.2 | G37 A38 V67 L78 | G37-T76 WeakPolarHBondContact CA-O 3.5Å; A38-T76 PolarHBondContact N-O 2.94Å; V67-T76 HydrophobicContact CG1-CG2 3.35Å; T76-L78 HydrophobicContact CG2-CD2 4.28Å |
| 77 | E | 90.2 | Very high | 80.9 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.8 | 174.9 | -67.9 | -172.4 | -169.6 | 0 | 0 | 110.2 | A38 L40 V67 R68 G70 L75 H79 | A38-E77 CarbonylContact O-C 3.41Å; A38-E77 WeakPolarHBondContact O-CA 3.33Å; L40-E77 HydrophobicContact CD1-CB 3.81Å; L40-E77 HydrophobicContact CD1-CG 4.02Å; V67-E77 CarbonylContact C-O 3.57Å; V67-E77 WeakPolarHBondContact CA-O 3.44Å; R68-E77 HydrophobicContact CB-CB 4.33Å; R68-E77 PolarHBondContact N-O 2.78Å; R68-E77 WeakPolarHBondContact O-CA 3.46Å; R68-E77 PolarHBondContact O-N 2.85Å; G70-E77 VanDerWaalsContact CA-OE1 3.32Å; G70-E77 WeakPolarHBondContact CA-OE1 3.39Å; L75-E77 PolarHBondContact O-N 3.2Å; E77-H79 WeakPolarHBondContact CB-NE2 3.43Å; E77-H79 IonicContact OE2-CE1 2.82Å; E77-H79 PolarHBondContact OE2-CE1 3.39Å; E77-H79 IonicContact OE2-NE2 3.59Å; E77-H79 PolarHBondContact OE2-NE2 3.4Å |
| 78 | L | 91.7 | Very high | 81.1 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 112.3 | 179.1 | -55.6 | 173.7 | 0 | 0 | 0 | 107.9 | V29 A38 L39 L40 L65 L66 V67 T76 | V29-L78 HydrophobicContact CG2-CD1 3.84Å; A38-L78 PolarHBondContact O-N 2.7Å; L39-L78 CarbonylContact C-O 3.59Å; L39-L78 VanDerWaalsContact CA-O 3.3Å; L39-L78 WeakPolarHBondContact CA-O 3.36Å; L39-L78 HydrophobicContact CD1-CB 4.1Å; L39-L78 WeakPolarHBondContact CD1-O 3.33Å; L40-L78 PolarHBondContact N-O 3.35Å; L65-L78 HydrophobicContact CB-CB 4.5Å; L65-L78 HydrophobicContact CD1-CB 3.99Å; L65-L78 HydrophobicContact CD1-CD1 4.24Å; L66-L78 CarbonylContact O-C 3.58Å; V67-L78 HydrophobicContact CB-CD2 4.44Å; V67-L78 HydrophobicContact CG1-CD2 4.25Å; V67-L78 HydrophobicContact CG2-CD2 3.82Å; T76-L78 HydrophobicContact CG2-CD2 4.28Å |
| 79 | H | 90.2 | Very high | 81.5 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 9% | 0.093 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.6 | -175.7 | -58.6 | -112.4 | 0 | 0 | 0 | 110.3 | W42 L65 L66 E77 | W42-H79 AromaticContact CE2-ND1 3.75Å; W42-H79 AromaticContact CZ2-ND1 3.7Å; W42-H79 AromaticContact NE1-CG 3.81Å; W42-H79 AromaticContact NE1-ND1 3.24Å; W42-H79 PolarHBondContact NE1-ND1 3.37Å; L65-H79 WeakPolarHBondContact CA-O 3.45Å; L66-H79 HydrophobicContact CB-CB 4.23Å; L66-H79 PolarHBondContact N-O 3.36Å; L66-H79 PolarHBondContact O-N 2.99Å; E77-H79 WeakPolarHBondContact CB-NE2 3.43Å; E77-H79 IonicContact OE2-CE1 2.82Å; E77-H79 PolarHBondContact OE2-CE1 3.39Å; E77-H79 IonicContact OE2-NE2 3.59Å; E77-H79 PolarHBondContact OE2-NE2 3.4Å |
| 80 | S | 89.3 | Confident | 82 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 140.6 | 166.9 | 68.6 | 0 | 0 | 0 | 0 | 110.3 | L40 L41 W42 A45 S84 | L40-S80 PolarHBondContact O-N 2.87Å; L40-S80 PolarHBondContact O-OG 3.05Å; L41-S80 WeakPolarHBondContact CA-OG 3.43Å; W42-S80 PolarHBondContact N-OG 2.89Å; A45-S80 WeakPolarHBondContact CB-OG 3.45Å; S80-S84 WeakPolarHBondContact CA-OG 3.41Å |
| 81 | T | 86.6 | Confident | 82.9 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 22% | 0.221 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 166.6 | 174.8 | 72.6 | 0 | 0 | 0 | 0 | 109.4 | V64 L66 W83 S84 | V64-T81 PolarHBondContact O-OG1 2.89Å; V64-T81 VanDerWaalsContact O-OG1 3.05Å; L66-T81 HydrophobicContact CB-CG2 3.94Å; T81-W83 PolarHBondContact O-N 3.14Å; T81-W83 PolarHBondContact OG1-N 3.49Å; T81-S84 PolarHBondContact N-OG 2.9Å; T81-S84 WeakPolarHBondContact O-CB 3.49Å; T81-S84 PolarHBondContact O-N 3.16Å; T81-S84 PolarHBondContact O-OG 2.96Å; T81-S84 PolarHBondContact OG1-N 3.45Å; T81-S84 PolarHBondContact OG1-OG 2.83Å |
| 82 | P | 81.9 | Confident | 84.2 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 77% | 0.766 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.5 | -19.1 | 173.8 | -27.2 | 36.8 | 0 | 0 | 0 | 114.8 | ||
| 83 | W | 85.6 | Confident | 85.8 | Confident | 202 Ų | 202 | 65.4 Ų | 65.4 | 77% | 0.765 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 2.3 | 176.9 | -56 | -78.3 | 0 | 0 | 0 | 113.3 | V64 T81 | V64-W83 HydrophobicContact CG1-CB 4.06Å; T81-W83 PolarHBondContact O-N 3.14Å; T81-W83 PolarHBondContact OG1-N 3.49Å |
| 84 | S | 90.8 | Very high | 86.9 | Confident | 15 Ų | 15 | 72.2 Ų | 72.2 | 11% | 0.105 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 146.2 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | R63 V64 S80 T81 | R63-S84 WeakPolarHBondContact O-CA 3.38Å; R63-S84 WeakPolarHBondContact O-CB 3.24Å; V64-S84 PolarHBondContact O-OG 2.97Å; S80-S84 WeakPolarHBondContact CA-OG 3.41Å; T81-S84 PolarHBondContact N-OG 2.9Å; T81-S84 WeakPolarHBondContact O-CB 3.49Å; T81-S84 PolarHBondContact O-N 3.16Å; T81-S84 PolarHBondContact O-OG 2.96Å; T81-S84 PolarHBondContact OG1-N 3.45Å; T81-S84 PolarHBondContact OG1-OG 2.83Å |
| 85 | S | 89.3 | Confident | 87.6 | Confident | 55 Ų | 55 | 68.4 Ų | 68.4 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.8 | 173.3 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | F62 R63 | F62-S85 WeakPolarHBondContact CA-O 3.24Å; R63-S85 PolarHBondContact N-O 2.86Å; R63-S85 PolarHBondContact O-N 3.07Å |
| 86 | V | 93.3 | Very high | 88 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 133.4 | 178 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | W48 R51 F52 W60 D61 F62 | W48-V86 HydrophobicContact CB-CG1 4.08Å; W48-V86 HydrophobicContact CD2-CB 4.06Å; W48-V86 HydrophobicContact CD2-CG1 3.3Å; W48-V86 HydrophobicContact CE3-CB 3.85Å; W48-V86 HydrophobicContact CE3-CG1 3.6Å; W48-V86 HydrophobicContact CG-CG1 3.52Å; W48-V86 HydrophobicContact CH2-CB 4.34Å; W48-V86 HydrophobicContact CH2-CG1 4.44Å; W48-V86 HydrophobicContact CZ2-CG1 4.23Å; W48-V86 HydrophobicContact CZ3-CB 4Å; W48-V86 HydrophobicContact CZ3-CG1 4.17Å; R51-V86 PolarHBondContact NH1-O 3.24Å; F52-V86 HydrophobicContact CE1-CG2 3.8Å; F52-V86 HydrophobicContact CZ-CG1 4.36Å; F52-V86 HydrophobicContact CZ-CG2 4Å; W60-V86 HydrophobicContact CB-CG2 4.38Å; W60-V86 HydrophobicContact CD2-CG2 4.46Å; W60-V86 HydrophobicContact CE3-CG2 3.74Å; W60-V86 HydrophobicContact CZ3-CG2 4.43Å; D61-V86 WeakPolarHBondContact O-CA 3.22Å; F62-V86 HydrophobicContact CD1-CB 3.97Å; F62-V86 HydrophobicContact CD1-CG2 3.54Å; F62-V86 HydrophobicContact CE1-CB 4.13Å; F62-V86 HydrophobicContact CE1-CG2 3.4Å; F62-V86 HydrophobicContact CG-CG2 4.25Å; F62-V86 HydrophobicContact CZ-CG2 4.01Å |
| 87 | R | 92.4 | Very high | 88 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143 | 173.5 | 67.6 | -177.2 | -172 | 158.5 | 7.9 | 111.1 | D61 R63 | D61-R87 HydrophobicContact CB-CG 3.85Å; D61-R87 PolarHBondContact N-O 3.38Å; D61-R87 PolarHBondContact O-N 2.92Å; D61-R87 IonicContact OD2-CZ 3.55Å; D61-R87 IonicContact OD2-NE 3.47Å; D61-R87 PolarHBondContact OD2-NE 3.08Å; D61-R87 IonicContact OD2-NH2 3.12Å; D61-R87 PolarHBondContact OD2-NH2 3.06Å; R63-R87 VanDerWaalsContact NH2-CZ 3.31Å |
| 88 | A | 91.9 | Very high | 87.6 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108 | A58 W60 | A58-A88 HydrophobicContact CB-CB 4.3Å; W60-A88 HydrophobicContact CD2-CB 4.5Å; W60-A88 HydrophobicContact CE3-CB 4Å; W60-A88 HydrophobicContact CH2-CB 4.14Å; W60-A88 HydrophobicContact CZ3-CB 3.82Å |
| 89 | L | 90.8 | Very high | 87.1 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 144.7 | 171.9 | -66 | -174.6 | 0 | 0 | 0 | 110.2 | V59 D61 D93 R95 A96 | V59-L89 HydrophobicContact CB-CB 4.49Å; V59-L89 HydrophobicContact CB-CD1 4.46Å; V59-L89 HydrophobicContact CG1-CD1 3.95Å; V59-L89 WeakPolarHBondContact O-CB 3.35Å; V59-L89 PolarHBondContact O-N 3.41Å; D61-L89 HydrophobicContact CB-CD1 4.36Å; D61-L89 HydrophobicContact CB-CD2 3.47Å; D61-L89 VanDerWaalsContact CB-CD2 3.47Å; D61-L89 HydrophobicContact CB-CG 3.88Å; L89-D93 HydrophobicContact CB-CB 4.48Å; L89-R95 HydrophobicContact CD1-CB 3.95Å; L89-A96 HydrophobicContact CB-CB 3.99Å; L89-A96 HydrophobicContact CD1-CB 4.22Å |
| 90 | D | 87.3 | Confident | 86.5 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 135.6 | 167.2 | -169.4 | -67.9 | 0 | 0 | 0 | 108.7 | T92 D93 A96 | D90-T92 PolarHBondContact O-N 3.32Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 VanDerWaalsContact OD1-CB 3.3Å; D90-T92 WeakPolarHBondContact OD1-CB 3.42Å; D90-T92 PolarHBondContact OD1-N 3.14Å; D90-T92 PolarHBondContact OD1-OG1 2.92Å; D90-D93 HydrophobicContact CB-CB 4.36Å; D90-D93 WeakPolarHBondContact O-CB 3.34Å; D90-D93 PolarHBondContact O-N 3.43Å; D90-A96 WeakPolarHBondContact O-CB 3.19Å |
| 91 | P | 83.7 | Confident | 85.8 | Confident | 97 Ų | 97 | 78 Ų | 78 | 63% | 0.63 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.3 | 177.2 | -26.3 | 35 | 0 | 0 | 0 | 114.3 | L97 | P91-L97 WeakPolarHBondContact O-CD2 3.3Š|
| 92 | T | 85.4 | Confident | 84.7 | Confident | 112 Ų | 112 | 78.2 Ų | 78.2 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.1 | 176 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | D90 R94 | D90-T92 PolarHBondContact O-N 3.32Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 VanDerWaalsContact OD1-CB 3.3Å; D90-T92 WeakPolarHBondContact OD1-CB 3.42Å; D90-T92 PolarHBondContact OD1-N 3.14Å; D90-T92 PolarHBondContact OD1-OG1 2.92Å; T92-R94 PolarHBondContact O-N 2.78Å |
| 93 | D | 89.1 | Confident | 83.7 | Confident | 42 Ų | 42 | 79.7 Ų | 79.7 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -60.9 | 130.3 | 174.8 | -172.6 | -43.2 | 0 | 0 | 0 | 109 | L89 D90 R95 A96 L97 | L89-D93 HydrophobicContact CB-CB 4.48Å; D90-D93 HydrophobicContact CB-CB 4.36Å; D90-D93 WeakPolarHBondContact O-CB 3.34Å; D90-D93 PolarHBondContact O-N 3.43Å; D93-R95 PolarHBondContact O-N 2.85Å; D93-R95 VanDerWaalsContact O-N 3.09Å; D93-R95 WeakPolarHBondContact OD1-CB 3.49Å; D93-R95 PolarHBondContact OD1-N 2.99Å; D93-R95 IonicContact OD1-NE 2.85Å; D93-R95 PolarHBondContact OD1-NE 2.85Å; D93-R95 IonicContact OD1-NH2 3.77Å; D93-R95 IonicContact OD2-CZ 3.82Å; D93-R95 IonicContact OD2-NE 3.36Å; D93-R95 PolarHBondContact OD2-NE 3.34Å; D93-R95 IonicContact OD2-NH2 3.45Å; D93-R95 PolarHBondContact OD2-NH2 3.11Å; D93-A96 HydrophobicContact CB-CB 4.39Å; D93-A96 WeakPolarHBondContact O-CB 3.49Å; D93-A96 PolarHBondContact O-N 2.88Å; D93-L97 PolarHBondContact O-N 3.3Å |
| 94 | R | 86.1 | Confident | 82.2 | Confident | 191 Ų | 191 | 80.1 Ų | 80.1 | 72% | 0.721 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -51.3 | -37.4 | 179.7 | -177.2 | 174 | 172.3 | 163.8 | -1.9 | 112.3 | T92 L97 D98 | T92-R94 PolarHBondContact O-N 2.78Å; R94-L97 PolarHBondContact O-N 2.91Å; R94-D98 IonicContact NE-OD2 3.84Å; R94-D98 WeakPolarHBondContact O-CB 3.49Å; R94-D98 PolarHBondContact O-N 2.89Å |
| 95 | R | 84.6 | Confident | 79.9 | Confident | 98 Ų | 98 | 89 Ų | 89 | 37% | 0.37 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 179 | -64.1 | 174.6 | -66.4 | 153 | 5.2 | 112.4 | D61 L89 D93 F99 | D61-R95 VanDerWaalsContact CG-NH1 3.27Å; D61-R95 IonicContact OD1-NH1 2.76Å; D61-R95 IonicContact OD2-CZ 2.67Å; D61-R95 IonicContact OD2-NH1 3.58Å; D61-R95 PolarHBondContact OD2-NH1 3.25Å; D61-R95 IonicContact OD2-NH2 2.97Å; L89-R95 HydrophobicContact CD1-CB 3.95Å; D93-R95 PolarHBondContact O-N 2.85Å; D93-R95 VanDerWaalsContact O-N 3.09Å; D93-R95 WeakPolarHBondContact OD1-CB 3.49Å; D93-R95 PolarHBondContact OD1-N 2.99Å; D93-R95 IonicContact OD1-NE 2.85Å; D93-R95 PolarHBondContact OD1-NE 2.85Å; D93-R95 IonicContact OD1-NH2 3.77Å; D93-R95 IonicContact OD2-CZ 3.82Å; D93-R95 IonicContact OD2-NE 3.36Å; D93-R95 PolarHBondContact OD2-NE 3.34Å; D93-R95 IonicContact OD2-NH2 3.45Å; D93-R95 PolarHBondContact OD2-NH2 3.11Å; R95-F99 WeakPolarHBondContact O-CB 3.04Å; R95-F99 PolarHBondContact O-N 3Å |
| 96 | A | 85.2 | Confident | 77.5 | Confident | 2 Ų | 2 | 93.1 Ų | 93.1 | 2% | 0.017 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.9 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V59 L89 D90 D93 D98 F99 L100 | V59-A96 HydrophobicContact CB-CB 4.25Å; V59-A96 HydrophobicContact CG2-CB 4.3Å; L89-A96 HydrophobicContact CB-CB 3.99Å; L89-A96 HydrophobicContact CD1-CB 4.22Å; D90-A96 WeakPolarHBondContact O-CB 3.19Å; D93-A96 HydrophobicContact CB-CB 4.39Å; D93-A96 WeakPolarHBondContact O-CB 3.49Å; D93-A96 PolarHBondContact O-N 2.88Å; A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 2.83Å; A96-F99 PolarHBondContact O-N 3.29Å; A96-L100 WeakPolarHBondContact O-CB 3.31Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.49Å; A96-L100 PolarHBondContact O-N 2.91Å |
| 97 | L | 82.8 | Confident | 75 | Confident | 67 Ų | 67 | 95 Ų | 95 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.9 | -67 | 174.8 | 0 | 0 | 0 | 112.5 | P91 D93 R94 R101 | P91-L97 WeakPolarHBondContact O-CD2 3.3Å; D93-L97 PolarHBondContact O-N 3.3Å; R94-L97 PolarHBondContact O-N 2.91Å; L97-R101 VanDerWaalsContact O-CB 3.27Å; L97-R101 WeakPolarHBondContact O-CB 3.19Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.4Å; L97-R101 PolarHBondContact O-N 3.32Å; L97-R101 PolarHBondContact O-NE 3Å |
| 98 | D | 81.5 | Confident | 72.5 | Confident | 61 Ų | 61 | 95.7 Ų | 95.7 | 33% | 0.326 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | 179.1 | -69.8 | -17.1 | 0 | 0 | 0 | 111 | R94 A96 R101 A102 | R94-D98 IonicContact NE-OD2 3.84Å; R94-D98 WeakPolarHBondContact O-CB 3.49Å; R94-D98 PolarHBondContact O-N 2.89Å; A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 2.83Å; D98-R101 PolarHBondContact O-N 3.41Å; D98-R101 IonicContact OD1-CZ 3.47Å; D98-R101 IonicContact OD1-NE 3.85Å; D98-R101 IonicContact OD1-NH1 3.8Å; D98-R101 IonicContact OD1-NH2 3.48Å; D98-R101 PolarHBondContact OD1-NH2 3.38Å; D98-A102 PolarHBondContact O-N 2.83Å |
| 99 | F | 80.9 | Confident | 70.1 | Confident | 36 Ų | 36 | 98 Ų | 98 | 16% | 0.158 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -59.9 | -50.2 | 171.9 | -178.3 | -97 | 0 | 0 | 0 | 111.7 | Q30 P32 V59 R95 A96 R101 A102 W103 | Q30-F99 WeakPolarHBondContact O-CE2 3.46Å; P32-F99 HydrophobicContact CG-CB 4.31Å; P32-F99 HydrophobicContact CG-CD2 3.94Å; V59-F99 HydrophobicContact CG1-CB 4.31Å; V59-F99 HydrophobicContact CG1-CD1 4.05Å; V59-F99 HydrophobicContact CG1-CG 4.15Å; V59-F99 HydrophobicContact CG2-CD1 3.63Å; V59-F99 HydrophobicContact CG2-CE1 4.22Å; V59-F99 HydrophobicContact CG2-CG 4.42Å; R95-F99 WeakPolarHBondContact O-CB 3.04Å; R95-F99 PolarHBondContact O-N 3Å; A96-F99 PolarHBondContact O-N 3.29Å; F99-R101 VanDerWaalsContact C-N 3.34Å; F99-R101 PolarHBondContact O-N 2.9Å; F99-A102 PolarHBondContact O-N 2.86Å; F99-W103 HydrophobicContact CE1-CE3 4.18Å; F99-W103 AromaticContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CZ3 4.14Å; F99-W103 WeakPolarHBondContact O-CB 3.46Å; F99-W103 PolarHBondContact O-N 3.09Å |
| 100 | L | 79.3 | Confident | 67.9 | Low | 67 Ų | 67 | 101.2 Ų | 101.2 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -35.3 | 178.8 | -69.6 | 171.8 | 0 | 0 | 0 | 112.3 | V59 A96 W103 R104 | V59-L100 HydrophobicContact CG2-CG 4.4Å; A96-L100 WeakPolarHBondContact O-CB 3.31Å; A96-L100 VanDerWaalsContact O-CG 3.27Å; A96-L100 WeakPolarHBondContact O-CG 3.49Å; A96-L100 PolarHBondContact O-N 2.91Å; L100-W103 WeakPolarHBondContact O-CB 3.29Å; L100-W103 PolarHBondContact O-N 3.46Å; L100-R104 WeakPolarHBondContact O-CG 3.34Å; L100-R104 PolarHBondContact O-N 3.2Å |
| 101 | R | 72.6 | Confident | 66 | Low | 155 Ų | 155 | 101.8 Ų | 101.8 | 59% | 0.585 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 173.7 | -84.2 | -177.4 | -106.3 | 176.5 | -6 | 112.1 | L97 D98 F99 W103 R104 | L97-R101 VanDerWaalsContact O-CB 3.27Å; L97-R101 WeakPolarHBondContact O-CB 3.19Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.4Å; L97-R101 PolarHBondContact O-N 3.32Å; L97-R101 PolarHBondContact O-NE 3Å; D98-R101 PolarHBondContact O-N 3.41Å; D98-R101 IonicContact OD1-CZ 3.47Å; D98-R101 IonicContact OD1-NE 3.85Å; D98-R101 IonicContact OD1-NH1 3.8Å; D98-R101 IonicContact OD1-NH2 3.48Å; D98-R101 PolarHBondContact OD1-NH2 3.38Å; F99-R101 VanDerWaalsContact C-N 3.34Å; F99-R101 PolarHBondContact O-N 2.9Å; R101-W103 VanDerWaalsContact C-N 3.3Å; R101-R104 PolarHBondContact O-N 3.26Å |
| 102 | A | 64.3 | Low | 64.8 | Low | 41 Ų | 41 | 99.5 Ų | 99.5 | 34% | 0.339 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D98 F99 | D98-A102 PolarHBondContact O-N 2.83Å; F99-A102 PolarHBondContact O-N 2.86Å |
| 103 | W | 60.5 | Low | 64 | Low | 148 Ų | 148 | 98.1 Ų | 98.1 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72 | -29 | 177 | -162.9 | -88.7 | 0 | 0 | 0 | 114.2 | Q30 F99 L100 R101 R105 | Q30-W103 HydrophobicContact CB-CZ3 4.28Å; Q30-W103 VanDerWaalsContact CD-CZ3 3.46Å; Q30-W103 HydrophobicContact CG-CZ3 4.16Å; F99-W103 HydrophobicContact CE1-CE3 4.18Å; F99-W103 AromaticContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CE3 3.9Å; F99-W103 HydrophobicContact CZ-CZ3 4.14Å; F99-W103 WeakPolarHBondContact O-CB 3.46Å; F99-W103 PolarHBondContact O-N 3.09Å; L100-W103 WeakPolarHBondContact O-CB 3.29Å; L100-W103 PolarHBondContact O-N 3.46Å; R101-W103 VanDerWaalsContact C-N 3.3Å; W103-R105 PolarHBondContact O-N 2.98Å; W103-R105 VanDerWaalsContact O-N 3.16Å; W103-R105 VanDerWaalsContact O-O 3.04Å |
| 104 | R | 53.8 | Low | 63.5 | Low | 212 Ų | 212 | 100.8 Ų | 100.8 | 80% | 0.8 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 5.5 | 179.6 | -79.4 | -174.4 | -170.9 | -146.8 | 4.7 | 114.6 | L100 R101 | L100-R104 WeakPolarHBondContact O-CG 3.34Å; L100-R104 PolarHBondContact O-N 3.2Å; R101-R104 PolarHBondContact O-N 3.26Å |
| 105 | R | 44.1 | Very low | 63.2 | Low | 201 Ų | 201 | 93.4 Ų | 93.4 | 76% | 0.758 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -72.7 | 135.5 | 161 | -67 | -176.5 | 179.9 | 176 | 0.6 | 107.4 | W103 G107 | W103-R105 PolarHBondContact O-N 2.98Å; W103-R105 VanDerWaalsContact O-N 3.16Å; W103-R105 VanDerWaalsContact O-O 3.04Å; R105-G107 VanDerWaalsContact C-N 3.29Å; R105-G107 PolarHBondContact O-N 3.5Å |
| 106 | P | 38.3 | Very low | 63.1 | Low | 141 Ų | 141 | 92.6 Ų | 92.6 | 92% | 0.916 | 51% | 0.507 | S | S | * | . | trans | -68.4 | 85.4 | -168.9 | 27.4 | -32.9 | 0 | 0 | 0 | 111.3 | ||||
| 107 | G | 40.2 | Very low | 63.1 | Low | 54 Ų | 54 | 92.6 Ų | 92.6 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | trans | -91.5 | 152 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | R105 S109 | R105-G107 VanDerWaalsContact C-N 3.29Å; R105-G107 PolarHBondContact O-N 3.5Å; G107-S109 PolarHBondContact O-N 2.81Å; G107-S109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | P | 41.3 | Very low | 63.2 | Low | 129 Ų | 129 | 92.1 Ų | 92.1 | 84% | 0.838 | 51% | 0.505 | S | S | * | . | trans | -58.5 | 126.4 | -166 | 19.1 | -23.1 | 0 | 0 | 0 | 109.9 | ||||
| 109 | S | 41.3 | Very low | 63.2 | Low | 94 Ų | 94 | 91.4 Ų | 91.4 | 66% | 0.657 | 50% | 0.503 | S | S | * | . | trans | -30 | 147.6 | 160.5 | 157 | 0 | 0 | 0 | 0 | 111 | G107 T111 | G107-S109 PolarHBondContact O-N 2.81Å; G107-S109 VanDerWaalsContact O-N 3.15Å; S109-T111 PolarHBondContact O-N 2.86Å; S109-T111 PolarHBondContact O-OG1 3.26Å; S109-T111 VanDerWaalsContact O-OG1 3.05Å | ||
| 110 | G | 43.6 | Very low | 63.4 | Low | 86 Ų | 86 | 89.7 Ų | 89.7 | 89% | 0.887 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -60.3 | 52.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 111 | T | 47.9 | Very low | 63.5 | Low | 104 Ų | 104 | 89.3 Ų | 89.3 | 64% | 0.638 | 49% | 0.493 | S | S | * | . | trans | -67.4 | 127.7 | 155.9 | 47.1 | 0 | 0 | 0 | 0 | 106.7 | S109 L113 | S109-T111 PolarHBondContact O-N 2.86Å; S109-T111 PolarHBondContact O-OG1 3.26Å; S109-T111 VanDerWaalsContact O-OG1 3.05Å; T111-L113 PolarHBondContact O-N 3.46Å | ||
| 112 | A | 57.6 | Low | 64 | Low | 49 Ų | 49 | 85.6 Ų | 85.6 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | trans | -47.2 | 131 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | E114 E130 | A112-E114 PolarHBondContact O-N 3.48Å; A112-E130 HydrophobicContact CB-CB 4.44Å; A112-E130 HydrophobicContact CB-CG 3.67Å; A112-E130 VanDerWaalsContact CB-OE1 3.25Å; A112-E130 WeakPolarHBondContact CB-OE1 3.5Å | ||
| 113 | L | 69.9 | Low | 64.8 | Low | 83 Ų | 83 | 90.3 Ų | 90.3 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | trans | -64.8 | 109.3 | 179.6 | -179.9 | 66.5 | 0 | 0 | 0 | 107.6 | T111 L115 Y125 V129 E130 | T111-L113 PolarHBondContact O-N 3.46Å; L113-L115 HydrophobicContact CD2-CD1 3.92Å; L113-L115 HydrophobicContact CD2-CG 4.25Å; L113-L115 HydrophobicContact CG-CD1 4.26Å; L113-L115 HydrophobicContact CG-CG 4.05Å; L113-Y125 HydrophobicContact CD2-CD2 4.43Å; L113-Y125 HydrophobicContact CD2-CE2 3.79Å; L113-V129 VanDerWaalsContact O-CG2 3.22Å; L113-V129 WeakPolarHBondContact O-CG2 3.3Å; L113-E130 PolarHBondContact O-N 3.18Å | ||
| 114 | E | 78.3 | Confident | 65.6 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 118 | 174.9 | -171 | 176.3 | 177 | 0 | 0 | 108.4 | A112 R132 | A112-E114 PolarHBondContact O-N 3.48Å; E114-R132 IonicContact OE1-CZ 3.61Å; E114-R132 IonicContact OE1-NE 2.71Å; E114-R132 PolarHBondContact OE1-NE 3.26Å; E114-R132 IonicContact OE1-NH2 3.29Å; E114-R132 PolarHBondContact OE1-NH2 3.13Å; E114-R132 IonicContact OE2-NH2 3.98Å; E114-R132 PolarHBondContact OE2-NH2 3.1Å |
| 115 | L | 79.1 | Confident | 66.7 | Low | 36 Ų | 36 | 82.9 Ų | 82.9 | 19% | 0.188 | 48% | 0.482 | C | S | . | . | trans | -123.7 | 146.8 | 173.7 | -68.2 | 173.3 | 0 | 0 | 0 | 109.5 | L113 T119 L120 Y125 V129 E130 L131 | L113-L115 HydrophobicContact CD2-CD1 3.92Å; L113-L115 HydrophobicContact CD2-CG 4.25Å; L113-L115 HydrophobicContact CG-CD1 4.26Å; L113-L115 HydrophobicContact CG-CG 4.05Å; L115-T119 HydrophobicContact CD2-CG2 4.02Å; L115-L120 HydrophobicContact CD1-CD1 4.07Å; L115-Y125 HydrophobicContact CD1-CG 4.36Å; L115-V129 HydrophobicContact CB-CG2 3.77Å; L115-V129 HydrophobicContact CD1-CG2 3.83Å; L115-V129 HydrophobicContact CG-CG2 3.91Å; L115-E130 PolarHBondContact N-O 3.02Å; L115-E130 VanDerWaalsContact N-O 3.07Å; L115-L131 HydrophobicContact CB-CD2 4.39Å; L115-L131 VanDerWaalsContact O-CD2 3.23Å; L115-L131 WeakPolarHBondContact O-CD2 3.42Å | ||
| 116 | D | 83.7 | Confident | 68.4 | Low | 81 Ų | 81 | 76 Ų | 76 | 43% | 0.433 | 47% | 0.465 | S | S | . | . | trans | -73.5 | 155.9 | 162.6 | 68.2 | 59 | 0 | 0 | 0 | 110.4 | D118 T119 L120 | D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 3.32Å; D116-D118 PolarHBondContact OD1-N 2.63Å; D116-T119 PolarHBondContact O-N 2.92Å; D116-T119 WeakPolarHBondContact OD1-CA 3.44Å; D116-T119 WeakPolarHBondContact OD1-CB 3.29Å; D116-T119 PolarHBondContact OD1-N 3.05Å; D116-T119 PolarHBondContact OD1-OG1 3.13Å; D116-T119 PolarHBondContact OD2-OG1 3.08Å; D116-L120 PolarHBondContact O-N 3.29Å | ||
| 117 | L | 84.2 | Confident | 70.4 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.4 | -37.3 | -176 | -179.8 | 62.9 | 0 | 0 | 0 | 112.3 | L120 L121 L131 P220 L222 | L117-L120 HydrophobicContact CD1-CD2 4.41Å; L117-L120 WeakPolarHBondContact O-CB 3.27Å; L117-L120 PolarHBondContact O-N 2.76Å; L117-L121 HydrophobicContact CD1-CD1 4.18Å; L117-L121 HydrophobicContact CD1-CG 4.26Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.89Å; L117-L121 VanDerWaalsContact O-N 3.09Å; L117-L131 HydrophobicContact CD1-CD1 4.31Å; L117-P220 HydrophobicContact CD2-CG 4.08Å; L117-P220 HydrophobicContact CG-CG 4.42Å; L117-L222 HydrophobicContact CD1-CB 4.04Å; L117-L222 HydrophobicContact CD1-CD2 3.62Å; L117-L222 HydrophobicContact CD1-CG 4.26Å; L117-L222 HydrophobicContact CD2-CB 4.17Å |
| 118 | D | 84.1 | Confident | 72.5 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 31% | 0.305 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | -176.9 | -59.9 | -63.7 | 0 | 0 | 0 | 110.8 | D116 S122 G218 P220 | D116-D118 VanDerWaalsContact C-N 3.28Å; D116-D118 PolarHBondContact O-N 3.32Å; D116-D118 PolarHBondContact OD1-N 2.63Å; D118-S122 WeakPolarHBondContact O-CB 3.19Å; D118-S122 PolarHBondContact O-N 3.39Å; D118-S122 PolarHBondContact O-OG 3.34Å; D118-G218 PolarHBondContact OD2-N 2.76Å; D118-G218 VanDerWaalsContact OD2-N 3.16Å; D118-P220 VanDerWaalsContact OD1-CD 3.29Å; D118-P220 WeakPolarHBondContact OD1-CD 3.36Å; D118-P220 WeakPolarHBondContact OD1-CG 3.16Å |
| 119 | T | 83.2 | Confident | 74.6 | Confident | 46 Ų | 46 | 66.2 Ų | 66.2 | 28% | 0.282 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 174.1 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | L115 D116 L121 S122 Q123 | L115-T119 HydrophobicContact CD2-CG2 4.02Å; D116-T119 PolarHBondContact O-N 2.92Å; D116-T119 WeakPolarHBondContact OD1-CA 3.44Å; D116-T119 WeakPolarHBondContact OD1-CB 3.29Å; D116-T119 PolarHBondContact OD1-N 3.05Å; D116-T119 PolarHBondContact OD1-OG1 3.13Å; D116-T119 PolarHBondContact OD2-OG1 3.08Å; T119-L121 VanDerWaalsContact C-N 3.33Å; T119-L121 PolarHBondContact O-N 2.77Å; T119-S122 WeakPolarHBondContact CA-OG 3.49Å; T119-S122 PolarHBondContact O-N 2.74Å; T119-S122 PolarHBondContact O-OG 2.83Å; T119-S122 VanDerWaalsContact O-OG 3.05Å; T119-Q123 HydrophobicContact CG2-CG 3.9Å; T119-Q123 VanDerWaalsContact O-CB 3.24Å; T119-Q123 WeakPolarHBondContact O-CB 3.46Å; T119-Q123 WeakPolarHBondContact O-CG 3.45Å; T119-Q123 PolarHBondContact O-N 3.36Å |
| 120 | L | 83.9 | Confident | 77 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.1 | -46.8 | 176.6 | -174.9 | 77.5 | 0 | 0 | 0 | 112.4 | L115 D116 L117 K124 Y125 V129 L131 F304 | L115-L120 HydrophobicContact CD1-CD1 4.07Å; D116-L120 PolarHBondContact O-N 3.29Å; L117-L120 HydrophobicContact CD1-CD2 4.41Å; L117-L120 WeakPolarHBondContact O-CB 3.27Å; L117-L120 PolarHBondContact O-N 2.76Å; L120-K124 PolarHBondContact O-N 2.82Å; L120-Y125 HydrophobicContact CD1-CD1 3.75Å; L120-Y125 HydrophobicContact CD1-CG 4.16Å; L120-Y125 PolarHBondContact O-N 3.33Å; L120-V129 HydrophobicContact CD1-CB 4.26Å; L120-V129 HydrophobicContact CD1-CG1 3.71Å; L120-V129 HydrophobicContact CD1-CG2 4.08Å; L120-V129 HydrophobicContact CD2-CG1 4.32Å; L120-L131 HydrophobicContact CB-CD2 4.35Å; L120-L131 HydrophobicContact CD2-CD1 3.71Å; L120-L131 HydrophobicContact CD2-CD2 3.87Å; L120-L131 HydrophobicContact CD2-CG 4.39Å; L120-F304 HydrophobicContact CD2-CD1 4.23Å; L120-F304 HydrophobicContact CD2-CE1 3.51Å; L120-F304 HydrophobicContact CD2-CZ 4.33Å; L120-F304 HydrophobicContact CG-CE1 4.34Å |
| 121 | L | 82.6 | Confident | 79.1 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 31% | 0.309 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71 | -40 | -178.3 | -67.3 | 174 | 0 | 0 | 0 | 111.6 | L117 T119 P220 L222 F304 | L117-L121 HydrophobicContact CD1-CD1 4.18Å; L117-L121 HydrophobicContact CD1-CG 4.26Å; L117-L121 HydrophobicContact CG-CD1 4.07Å; L117-L121 VanDerWaalsContact O-CG 3.29Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.89Å; L117-L121 VanDerWaalsContact O-N 3.09Å; T119-L121 VanDerWaalsContact C-N 3.33Å; T119-L121 PolarHBondContact O-N 2.77Å; L121-P220 HydrophobicContact CD1-CB 4.12Å; L121-P220 HydrophobicContact CD1-CG 4.17Å; L121-L222 HydrophobicContact CD2-CD1 4.32Å; L121-F304 HydrophobicContact CD2-CE2 4.46Å; L121-F304 HydrophobicContact CD2-CZ 3.95Å |
| 122 | S | 82.8 | Confident | 81.1 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.4 | -39.3 | 178.7 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | D118 T119 K124 | D118-S122 WeakPolarHBondContact O-CB 3.19Å; D118-S122 PolarHBondContact O-N 3.39Å; D118-S122 PolarHBondContact O-OG 3.34Å; T119-S122 WeakPolarHBondContact CA-OG 3.49Å; T119-S122 PolarHBondContact O-N 2.74Å; T119-S122 PolarHBondContact O-OG 2.83Å; T119-S122 VanDerWaalsContact O-OG 3.05Å; S122-K124 VanDerWaalsContact C-N 3.26Å; S122-K124 PolarHBondContact O-N 3.01Å |
| 123 | Q | 79.9 | Confident | 82.7 | Confident | 139 Ų | 139 | 58.5 Ų | 58.5 | 65% | 0.65 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -5.1 | -178.5 | -65 | -63.6 | -38.7 | 0 | 0 | 113.4 | T119 Y125 | T119-Q123 HydrophobicContact CG2-CG 3.9Å; T119-Q123 VanDerWaalsContact O-CB 3.24Å; T119-Q123 WeakPolarHBondContact O-CB 3.46Å; T119-Q123 WeakPolarHBondContact O-CG 3.45Å; T119-Q123 PolarHBondContact O-N 3.36Å; Q123-Y125 PolarHBondContact O-N 3.49Å |
| 124 | K | 77.4 | Confident | 83.6 | Confident | 132 Ų | 132 | 56.7 Ų | 56.7 | 57% | 0.574 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 46.5 | -176 | -62.1 | -177.9 | -178.1 | 178.9 | 0 | 111.7 | L120 S122 F291 | L120-K124 PolarHBondContact O-N 2.82Å; S122-K124 VanDerWaalsContact C-N 3.26Å; S122-K124 PolarHBondContact O-N 3.01Å; K124-F291 VanDerWaalsContact C-CZ 3.41Å; K124-F291 HydrophobicContact CB-CE1 4.17Å; K124-F291 HydrophobicContact CB-CE2 4.35Å; K124-F291 HydrophobicContact CB-CZ 3.58Å; K124-F291 HydrophobicContact CG-CZ 4.39Å; K124-F291 WeakPolarHBondContact O-CE2 3.31Å; K124-F291 WeakPolarHBondContact O-CZ 3.44Å |
| 125 | Y | 78.6 | Confident | 84.2 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | trans | -70.9 | 135.9 | -177.3 | 177.4 | -94.5 | 0 | 0 | 0 | 111.7 | L113 L115 L120 Q123 E128 V129 S289 Q302 | L113-Y125 HydrophobicContact CD2-CD2 4.43Å; L113-Y125 HydrophobicContact CD2-CE2 3.79Å; L115-Y125 HydrophobicContact CD1-CG 4.36Å; L120-Y125 HydrophobicContact CD1-CD1 3.75Å; L120-Y125 HydrophobicContact CD1-CG 4.16Å; L120-Y125 PolarHBondContact O-N 3.33Å; Q123-Y125 PolarHBondContact O-N 3.49Å; Y125-E128 PolarHBondContact OH-O 3.4Å; Y125-V129 HydrophobicContact CD1-CB 4.35Å; Y125-V129 HydrophobicContact CE1-CB 4.01Å; Y125-S289 WeakPolarHBondContact O-CB 3.44Å; Y125-S289 PolarHBondContact O-OG 3.5Å; Y125-Q302 PolarHBondContact O-NE2 3.01Å | ||
| 126 | S | 78.5 | Confident | 84.8 | Confident | 57 Ų | 57 | 51 Ų | 51 | 40% | 0.399 | 26% | 0.259 | S | S | . | . | trans | -117 | 129.1 | 173.6 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | S289 | S126-S289 PolarHBondContact OG-O 3.35Š| ||
| 127 | G | 79.7 | Confident | 85.2 | Confident | 20 Ų | 20 | 48 Ų | 48 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.9 | -169.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | R288 S289 | G127-R288 CarbonylContact O-C 3.6Å; G127-R288 WeakPolarHBondContact O-CA 3.47Å; G127-S289 PolarHBondContact N-O 3.08Å; G127-S289 PolarHBondContact O-N 2.97Å |
| 128 | E | 85.9 | Confident | 85.6 | Confident | 97 Ų | 97 | 48.1 Ų | 48.1 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.6 | 177.4 | -60.6 | -175 | 172.4 | 0 | 0 | 110.2 | Y125 V287 R288 L307 | Y125-E128 PolarHBondContact OH-O 3.4Å; E128-V287 WeakPolarHBondContact CA-O 3.41Å; E128-R288 HydrophobicContact CG-CB 4.38Å; E128-R288 HydrophobicContact CG-CG 4.11Å; E128-L307 HydrophobicContact CB-CD1 4.4Å; E128-L307 VanDerWaalsContact CD-CD1 3.5Å; E128-L307 HydrophobicContact CG-CD1 3.69Å; E128-L307 WeakPolarHBondContact OE1-CD1 3.49Å |
| 129 | V | 85.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 144.7 | -174.5 | 63.3 | 0 | 0 | 0 | 0 | 110.4 | L113 L115 L120 Y125 L131 T286 V287 | L113-V129 VanDerWaalsContact O-CG2 3.22Å; L113-V129 WeakPolarHBondContact O-CG2 3.3Å; L115-V129 HydrophobicContact CB-CG2 3.77Å; L115-V129 HydrophobicContact CD1-CG2 3.83Å; L115-V129 HydrophobicContact CG-CG2 3.91Å; L120-V129 HydrophobicContact CD1-CB 4.26Å; L120-V129 HydrophobicContact CD1-CG1 3.71Å; L120-V129 HydrophobicContact CD1-CG2 4.08Å; L120-V129 HydrophobicContact CD2-CG1 4.32Å; Y125-V129 HydrophobicContact CD1-CB 4.35Å; Y125-V129 HydrophobicContact CE1-CB 4.01Å; V129-L131 HydrophobicContact CG1-CD2 4.1Å; V129-L131 HydrophobicContact CG1-CG 4.22Å; V129-L131 HydrophobicContact CG2-CD2 3.91Å; V129-T286 WeakPolarHBondContact O-CA 3.34Å; V129-V287 HydrophobicContact CG1-CG2 3.51Å; V129-V287 PolarHBondContact N-O 2.88Å; V129-V287 PolarHBondContact O-N 3.32Å |
| 130 | E | 90.3 | Very high | 86.2 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.6 | 170.2 | -78.3 | -177.9 | -177.6 | 0 | 0 | 110.8 | A112 L113 L115 V284 I285 T286 | A112-E130 HydrophobicContact CB-CB 4.44Å; A112-E130 HydrophobicContact CB-CG 3.67Å; A112-E130 VanDerWaalsContact CB-OE1 3.25Å; A112-E130 WeakPolarHBondContact CB-OE1 3.5Å; L113-E130 PolarHBondContact O-N 3.18Å; L115-E130 PolarHBondContact N-O 3.02Å; L115-E130 VanDerWaalsContact N-O 3.07Å; E130-V284 HydrophobicContact CB-CG1 4.27Å; E130-V284 HydrophobicContact CG-CG1 4.4Å; E130-I285 CarbonylContact C-O 3.46Å; E130-I285 WeakPolarHBondContact CA-O 3.43Å; E130-T286 HydrophobicContact CG-CG2 4.34Å |
| 131 | L | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.2 | -179.1 | -52.8 | 176.5 | 0 | 0 | 0 | 110.2 | L115 L117 L120 V129 V133 L222 V284 I285 V287 | L115-L131 HydrophobicContact CB-CD2 4.39Å; L115-L131 VanDerWaalsContact O-CD2 3.23Å; L115-L131 WeakPolarHBondContact O-CD2 3.42Å; L117-L131 HydrophobicContact CD1-CD1 4.31Å; L120-L131 HydrophobicContact CB-CD2 4.35Å; L120-L131 HydrophobicContact CD2-CD1 3.71Å; L120-L131 HydrophobicContact CD2-CD2 3.87Å; L120-L131 HydrophobicContact CD2-CG 4.39Å; V129-L131 HydrophobicContact CG1-CD2 4.1Å; V129-L131 HydrophobicContact CG1-CG 4.22Å; V129-L131 HydrophobicContact CG2-CD2 3.91Å; L131-V133 HydrophobicContact CB-CG1 3.88Å; L131-L222 HydrophobicContact CD1-CD2 4.37Å; L131-V284 WeakPolarHBondContact O-CA 3.47Å; L131-I285 HydrophobicContact CB-CG1 4Å; L131-I285 PolarHBondContact N-O 3.33Å; L131-I285 PolarHBondContact O-N 3.49Å; L131-V287 HydrophobicContact CD1-CG2 3.54Å; L131-V287 HydrophobicContact CG-CG2 4.06Å |
| 132 | R | 89.3 | Confident | 85.5 | Confident | 125 Ų | 125 | 52.4 Ų | 52.4 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 115.3 | 164.8 | -66.9 | -168.7 | -168 | -176 | 10.1 | 109.4 | E114 W282 V283 V284 | E114-R132 IonicContact OE1-CZ 3.61Å; E114-R132 IonicContact OE1-NE 2.71Å; E114-R132 PolarHBondContact OE1-NE 3.26Å; E114-R132 IonicContact OE1-NH2 3.29Å; E114-R132 PolarHBondContact OE1-NH2 3.13Å; E114-R132 IonicContact OE2-NH2 3.98Å; E114-R132 PolarHBondContact OE2-NH2 3.1Å; R132-W282 HydrophobicContact CB-CE3 4.3Å; R132-W282 WeakPolarHBondContact O-CZ3 3.42Å; R132-V283 WeakPolarHBondContact CA-O 3.3Å; R132-V284 HydrophobicContact CG-CG2 4.19Å |
| 133 | V | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 162.7 | -175.8 | -58.4 | 0 | 0 | 0 | 0 | 112 | L131 V214 S215 W282 V283 I285 | L131-V133 HydrophobicContact CB-CG1 3.88Å; V133-V214 HydrophobicContact CB-CB 3.91Å; V133-V214 HydrophobicContact CB-CG2 4.1Å; V133-V214 HydrophobicContact CG1-CB 4.42Å; V133-V214 HydrophobicContact CG1-CG2 4.05Å; V133-V214 HydrophobicContact CG2-CB 3.77Å; V133-V214 HydrophobicContact CG2-CG1 3.97Å; V133-V214 HydrophobicContact CG2-CG2 4.11Å; V133-S215 CarbonylContact C-O 3.55Å; V133-S215 VanDerWaalsContact CA-O 3.31Å; V133-S215 WeakPolarHBondContact CA-O 3.46Å; V133-S215 WeakPolarHBondContact CB-O 3.47Å; V133-W282 WeakPolarHBondContact O-CA 3.38Å; V133-V283 HydrophobicContact CG2-CG2 4.02Å; V133-V283 PolarHBondContact N-O 3.45Å; V133-V283 WeakPolarHBondContact O-CG2 3.35Å; V133-V283 PolarHBondContact O-N 2.91Å; V133-I285 HydrophobicContact CG1-CD1 4.37Å; V133-I285 HydrophobicContact CG2-CD1 3.68Å; V133-I285 HydrophobicContact CG2-CG1 3.84Å; V133-I285 HydrophobicContact CG2-CG2 4.29Å |
| 134 | Q | 90.6 | Very high | 83.1 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.7 | 164 | -66.9 | -175.4 | -16.8 | 0 | 0 | 109.4 | V214 S215 R280 W282 | Q134-V214 CarbonylContact O-C 3.42Å; Q134-V214 WeakPolarHBondContact O-CA 3.49Å; Q134-V214 WeakPolarHBondContact O-CB 3.31Å; Q134-S215 PolarHBondContact N-O 3.45Å; Q134-S215 PolarHBondContact O-N 3.48Å; Q134-R280 HydrophobicContact CB-CB 4.24Å; Q134-R280 HydrophobicContact CG-CB 4.3Å; Q134-R280 PolarHBondContact NE2-O 2.92Å; Q134-W282 HydrophobicContact CG-CD2 3.82Å; Q134-W282 HydrophobicContact CG-CE3 4.09Å; Q134-W282 HydrophobicContact CG-CG 4.26Å; Q134-W282 HydrophobicContact CG-CH2 4.3Å; Q134-W282 HydrophobicContact CG-CZ2 4.07Å; Q134-W282 HydrophobicContact CG-CZ3 4.32Å |
| 135 | V | 90.9 | Very high | 81.5 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 128.1 | 173 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | L212 V214 L275 L276 R280 V283 | V135-L212 HydrophobicContact CG1-CD2 3.68Å; V135-V214 HydrophobicContact CG2-CG1 4.3Å; V135-L275 HydrophobicContact CB-CD1 4.48Å; V135-L275 HydrophobicContact CB-CG 4.28Å; V135-L275 HydrophobicContact CG1-CD2 4.41Å; V135-L275 HydrophobicContact CG1-CG 4.22Å; V135-L275 HydrophobicContact CG2-CD1 3.86Å; V135-L275 HydrophobicContact CG2-CG 4.12Å; V135-L276 HydrophobicContact CG1-CD2 3.8Å; V135-R280 WeakPolarHBondContact O-CD 3.33Å; V135-R280 PolarHBondContact O-NE 2.98Å; V135-V283 HydrophobicContact CG2-CG2 3.73Å |
| 136 | L | 90.5 | Very high | 80 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -48.5 | -176.8 | -51 | -178.4 | 0 | 0 | 0 | 111.7 | T213 S215 H221 R280 | L136-T213 WeakPolarHBondContact CA-O 3.18Å; L136-T213 HydrophobicContact CB-CG2 4.49Å; L136-T213 WeakPolarHBondContact CB-O 3.33Å; L136-T213 HydrophobicContact CD1-CG2 4.12Å; L136-T213 PolarHBondContact N-O 3.48Å; L136-S215 WeakPolarHBondContact CD2-OG 2.93Å; L136-H221 VanDerWaalsContact CD1-CE1 3.42Å; L136-H221 WeakPolarHBondContact CD1-CE1 3.49Å; L136-H221 WeakPolarHBondContact CD1-ND1 3.49Å; L136-R280 PolarHBondContact O-NH2 2.81Å |
| 137 | S | 92.1 | Very high | 78.6 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.2 | -178.9 | 66 | 0 | 0 | 0 | 0 | 111.9 | L154 T213 | S137-L154 CarbonylContact C-O 3.54Å; S137-L154 WeakPolarHBondContact CA-O 3.4Å; S137-L154 VanDerWaalsContact CB-O 3.28Å; S137-L154 WeakPolarHBondContact CB-O 3.4Å; S137-T213 PolarHBondContact N-O 3.42Å; S137-T213 PolarHBondContact O-N 3.09Å; S137-T213 VanDerWaalsContact OG-CB 3.3Å; S137-T213 WeakPolarHBondContact OG-CB 3.46Å; S137-T213 PolarHBondContact OG-OG1 2.94Å; S137-T213 VanDerWaalsContact OG-OG1 3.05Å |
| 138 | F | 92.6 | Very high | 77.3 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.9 | 174.9 | 176.2 | -97.9 | 0 | 0 | 0 | 110.1 | F140 L154 V211 L212 V226 L231 L272 | F138-F140 HydrophobicContact CE1-CD1 4.09Å; F138-F140 AromaticContact CE1-CD2 3.82Å; F138-F140 HydrophobicContact CE1-CD2 3.82Å; F138-F140 AromaticContact CE1-CE1 3.94Å; F138-F140 HydrophobicContact CE1-CE1 3.94Å; F138-F140 AromaticContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CG 4.03Å; F138-F140 AromaticContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CZ-CD1 4.09Å; F138-F140 HydrophobicContact CZ-CE1 4.01Å; F138-F140 HydrophobicContact CZ-CG 4.39Å; F138-F140 HydrophobicContact CZ-CZ 4.22Å; F138-L154 HydrophobicContact CD1-CD1 4.21Å; F138-L154 PolarHBondContact N-O 2.81Å; F138-L154 WeakPolarHBondContact O-CB 3.39Å; F138-L154 PolarHBondContact O-N 2.9Å; F138-V211 WeakPolarHBondContact CA-O 3.33Å; F138-L212 HydrophobicContact CB-CD2 3.97Å; F138-L212 HydrophobicContact CD2-CD2 3.59Å; F138-L212 HydrophobicContact CD2-CG 3.93Å; F138-L212 HydrophobicContact CG-CD2 4.23Å; F138-V226 HydrophobicContact CE2-CG2 4.41Å; F138-L231 HydrophobicContact CE2-CD1 3.89Å; F138-L231 HydrophobicContact CZ-CD1 3.56Å; F138-L231 HydrophobicContact CZ-CD2 4.21Å; F138-L272 HydrophobicContact CD1-CD2 3.96Å; F138-L272 HydrophobicContact CE1-CD2 4.35Å; F138-L272 HydrophobicContact CG-CD2 4.22Å |
| 139 | Q | 91.5 | Very high | 75.8 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.9 | 175.9 | -168.5 | -176.5 | 20.1 | 0 | 0 | 110 | Q151 V153 G210 V211 | Q139-Q151 PolarHBondContact NE2-O 2.92Å; Q139-V153 HydrophobicContact CB-CG2 4.42Å; Q139-V153 HydrophobicContact CG-CG2 4.2Å; Q139-G210 CarbonylContact O-C 3.55Å; Q139-G210 WeakPolarHBondContact O-CA 3.46Å; Q139-V211 PolarHBondContact N-O 2.94Å; Q139-V211 PolarHBondContact O-N 3.3Å |
| 140 | F | 88.8 | Confident | 74.7 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 140.8 | 168.1 | -67.2 | -84 | 0 | 0 | 0 | 110.2 | F138 Q151 L167 I171 L231 L235 | F138-F140 HydrophobicContact CE1-CD1 4.09Å; F138-F140 AromaticContact CE1-CD2 3.82Å; F138-F140 HydrophobicContact CE1-CD2 3.82Å; F138-F140 AromaticContact CE1-CE1 3.94Å; F138-F140 HydrophobicContact CE1-CE1 3.94Å; F138-F140 AromaticContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CE2 3.66Å; F138-F140 HydrophobicContact CE1-CG 4.03Å; F138-F140 AromaticContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CE1-CZ 3.71Å; F138-F140 HydrophobicContact CZ-CD1 4.09Å; F138-F140 HydrophobicContact CZ-CE1 4.01Å; F138-F140 HydrophobicContact CZ-CG 4.39Å; F138-F140 HydrophobicContact CZ-CZ 4.22Å; F140-Q151 HydrophobicContact CB-CB 4.38Å; F140-Q151 HydrophobicContact CB-CG 4.11Å; F140-Q151 WeakPolarHBondContact O-CB 3.17Å; F140-L167 HydrophobicContact CE2-CD2 4.27Å; F140-L167 HydrophobicContact CZ-CD2 3.94Å; F140-I171 HydrophobicContact CD1-CB 4.16Å; F140-I171 HydrophobicContact CD1-CG2 4.11Å; F140-I171 HydrophobicContact CD2-CG2 3.72Å; F140-I171 HydrophobicContact CE1-CB 4Å; F140-I171 HydrophobicContact CE1-CD1 4.35Å; F140-I171 HydrophobicContact CE1-CG2 4.16Å; F140-I171 HydrophobicContact CE2-CB 4.45Å; F140-I171 HydrophobicContact CE2-CG2 3.8Å; F140-I171 HydrophobicContact CG-CB 4.44Å; F140-I171 HydrophobicContact CG-CG2 3.89Å; F140-I171 HydrophobicContact CZ-CB 4.18Å; F140-I171 HydrophobicContact CZ-CD1 4.01Å; F140-I171 HydrophobicContact CZ-CG2 4.03Å; F140-L231 HydrophobicContact CD1-CD2 4.23Å; F140-L231 HydrophobicContact CE1-CD2 3.89Å; F140-L235 HydrophobicContact CZ-CD1 4.5Å |
| 141 | Q | 82.5 | Confident | 73.8 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 138.7 | 173 | -67.3 | -173.3 | -20.3 | 0 | 0 | 110.2 | P209 V211 | Q141-P209 VanDerWaalsContact CB-O 3.3Å; Q141-P209 WeakPolarHBondContact CB-O 3.38Å; Q141-P209 PolarHBondContact N-O 2.85Å; Q141-V211 HydrophobicContact CG-CG2 3.9Å |
| 142 | E | 69.5 | Low | 73.3 | Confident | 116 Ų | 116 | 66 Ų | 66 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 149.2 | -177.7 | -68.3 | 177 | -175.7 | 0 | 0 | 112.1 | A150 | E142-A150 WeakPolarHBondContact OE1-CA 3.29Å; E142-A150 WeakPolarHBondContact OE1-CB 3.32Å |
| 143 | A | 57.4 | Low | 73.3 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 157.8 | 160 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 144 | P | 53.8 | Low | 73.3 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -49.6 | 148.1 | 171.5 | -24.7 | 34.3 | 0 | 0 | 0 | 111.5 | S146 | P144-S146 PolarHBondContact O-N 2.77Š|
| 145 | P | 45 | Very low | 73.3 | Confident | 137 Ų | 137 | 64.2 Ų | 64.2 | 89% | 0.89 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -72.8 | 89.8 | -161.8 | 29.7 | -34.5 | 0 | 0 | 0 | 111.3 | ||
| 146 | S | 47.2 | Very low | 73 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 64% | 0.643 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -146.6 | 101.5 | 158 | 60 | 0 | 0 | 0 | 0 | 108.8 | P144 | P144-S146 PolarHBondContact O-N 2.77Š|
| 147 | Q | 47.6 | Very low | 72.8 | Confident | 192 Ų | 192 | 69.2 Ų | 69.2 | 90% | 0.897 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 84.3 | 9.2 | 156.6 | -49 | -174.5 | 8.2 | 0 | 0 | 120.5 | ||
| 148 | N | 52.3 | Low | 72.6 | Confident | 113 Ų | 113 | 69.7 Ų | 69.7 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | trans | -111.9 | 139.8 | 174 | -82.8 | -33.6 | 0 | 0 | 0 | 113.3 | ||||
| 149 | P | 56.1 | Low | 72.4 | Confident | 110 Ų | 110 | 73.7 Ų | 73.7 | 71% | 0.714 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -64 | 150.6 | 170.7 | 28.1 | -33 | 0 | 0 | 0 | 110.1 | Q151 | P149-Q151 PolarHBondContact O-N 3.32Š|
| 150 | A | 62.2 | Low | 72.1 | Confident | 68 Ų | 68 | 75.5 Ų | 75.5 | 56% | 0.562 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 129 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E142 | E142-A150 WeakPolarHBondContact OE1-CA 3.29Å; E142-A150 WeakPolarHBondContact OE1-CB 3.32Å |
| 151 | Q | 70.1 | Confident | 72 | Confident | 27 Ų | 27 | 78.9 Ų | 78.9 | 13% | 0.126 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -58 | 128.5 | 178.1 | -78 | -96.4 | -11.3 | 0 | 0 | 109 | Q139 F140 P149 D170 | Q139-Q151 PolarHBondContact NE2-O 2.92Å; F140-Q151 HydrophobicContact CB-CB 4.38Å; F140-Q151 HydrophobicContact CB-CG 4.11Å; F140-Q151 WeakPolarHBondContact O-CB 3.17Å; P149-Q151 PolarHBondContact O-N 3.32Å; Q151-D170 PolarHBondContact NE2-O 3.28Å |
| 152 | P | 79.8 | Confident | 72.2 | Confident | 69 Ų | 69 | 76.8 Ų | 76.8 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 142.3 | -175.4 | 27.1 | -34.3 | 0 | 0 | 0 | 111 | L154 A166 | P152-L154 HydrophobicContact CB-CD2 4.49Å; P152-L154 HydrophobicContact CG-CD2 4.21Å; P152-L154 PolarHBondContact O-N 3.29Å; P152-A166 HydrophobicContact CG-CB 4.05Å |
| 153 | V | 88.2 | Confident | 73 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 47% | 0.473 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 121 | 169.5 | -180 | 0 | 0 | 0 | 0 | 108.1 | Q139 | Q139-V153 HydrophobicContact CB-CG2 4.42Å; Q139-V153 HydrophobicContact CG-CG2 4.2Å |
| 154 | L | 90.3 | Very high | 74.4 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.5 | -180 | -49.4 | 178 | 0 | 0 | 0 | 109.1 | S137 F138 P152 T158 L163 A166 L272 L276 | S137-L154 CarbonylContact C-O 3.54Å; S137-L154 WeakPolarHBondContact CA-O 3.4Å; S137-L154 VanDerWaalsContact CB-O 3.28Å; S137-L154 WeakPolarHBondContact CB-O 3.4Å; F138-L154 HydrophobicContact CD1-CD1 4.21Å; F138-L154 PolarHBondContact N-O 2.81Å; F138-L154 WeakPolarHBondContact O-CB 3.39Å; F138-L154 PolarHBondContact O-N 2.9Å; P152-L154 HydrophobicContact CB-CD2 4.49Å; P152-L154 HydrophobicContact CG-CD2 4.21Å; P152-L154 PolarHBondContact O-N 3.29Å; L154-T158 HydrophobicContact CD2-CG2 4.06Å; L154-L163 HydrophobicContact CB-CD2 3.98Å; L154-L163 HydrophobicContact CD1-CD2 3.83Å; L154-L163 HydrophobicContact CD2-CD2 4.16Å; L154-L163 HydrophobicContact CG-CD2 4.2Å; L154-A166 HydrophobicContact CD1-CB 4.02Å; L154-A166 HydrophobicContact CD2-CB 3.87Å; L154-A166 HydrophobicContact CG-CB 4.48Å; L154-L272 HydrophobicContact CD1-CD1 4.19Å; L154-L276 HydrophobicContact CB-CD1 3.88Å |
| 155 | D | 90.2 | Very high | 75.9 | Confident | 53 Ų | 53 | 71 Ų | 71 | 28% | 0.283 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | -176 | -179.7 | 72.1 | 5.8 | 0 | 0 | 0 | 112 | S157 T158 | D155-S157 PolarHBondContact O-N 2.89Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.97Å; D155-S157 PolarHBondContact OD1-OG 3.48Å; D155-S157 PolarHBondContact OD2-OG 3.01Å; D155-T158 PolarHBondContact N-OG1 3.41Å; D155-T158 VanDerWaalsContact O-CB 3.28Å; D155-T158 WeakPolarHBondContact O-CB 3.49Å; D155-T158 PolarHBondContact O-N 3.36Å; D155-T158 VanDerWaalsContact O-N 3.09Å; D155-T158 PolarHBondContact O-OG1 3.24Å; D155-T158 PolarHBondContact OD1-N 2.93Å; D155-T158 PolarHBondContact OD1-OG1 2.71Å |
| 156 | G | 85.4 | Confident | 77.8 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L276 | G156-L276 WeakPolarHBondContact CA-O 3.16Š|
| 157 | S | 86.3 | Confident | 79.7 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -12.1 | 174.7 | 77.6 | 0 | 0 | 0 | 0 | 112.7 | D155 P159 | D155-S157 PolarHBondContact O-N 2.89Å; D155-S157 WeakPolarHBondContact OD1-CA 3.39Å; D155-S157 WeakPolarHBondContact OD1-CB 3.41Å; D155-S157 PolarHBondContact OD1-N 2.97Å; D155-S157 PolarHBondContact OD1-OG 3.48Å; D155-S157 PolarHBondContact OD2-OG 3.01Å; S157-P159 WeakPolarHBondContact O-CD 3.17Å |
| 158 | T | 87.6 | Confident | 81.3 | Confident | 27 Ų | 27 | 53.6 Ų | 53.6 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | trans | -69.1 | 121 | -174.9 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | L154 D155 L163 | L154-T158 HydrophobicContact CD2-CG2 4.06Å; D155-T158 PolarHBondContact N-OG1 3.41Å; D155-T158 VanDerWaalsContact O-CB 3.28Å; D155-T158 WeakPolarHBondContact O-CB 3.49Å; D155-T158 PolarHBondContact O-N 3.36Å; D155-T158 VanDerWaalsContact O-N 3.09Å; D155-T158 PolarHBondContact O-OG1 3.24Å; D155-T158 PolarHBondContact OD1-N 2.93Å; D155-T158 PolarHBondContact OD1-OG1 2.71Å; T158-L163 HydrophobicContact CG2-CD2 4.08Å; T158-L163 HydrophobicContact CG2-CG 4.16Å | ||
| 159 | P | 87.9 | Confident | 82.5 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | trans | -68.2 | 154.7 | 179.9 | 28.4 | -34.4 | 0 | 0 | 0 | 110.8 | S157 A161 G162 L163 | S157-P159 WeakPolarHBondContact O-CD 3.17Å; P159-A161 PolarHBondContact O-N 2.99Å; P159-G162 WeakPolarHBondContact O-CA 3.39Å; P159-G162 PolarHBondContact O-N 2.84Å; P159-L163 PolarHBondContact O-N 3.44Å | ||
| 160 | R | 86.8 | Confident | 83.7 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -52.8 | -35.1 | 179.5 | -171.6 | 175.8 | 180 | 165.5 | 7.5 | 113.1 | G162 L163 L164 E270 | R160-G162 VanDerWaalsContact C-N 3.33Å; R160-G162 PolarHBondContact O-N 2.83Å; R160-L163 PolarHBondContact O-N 3.46Å; R160-L164 HydrophobicContact CG-CD1 4.35Å; R160-L164 VanDerWaalsContact O-CG 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.29Å; R160-L164 PolarHBondContact O-N 3.22Å; R160-E270 IonicContact CZ-OE1 3.74Å; R160-E270 IonicContact NH1-OE1 3.71Å; R160-E270 IonicContact NH2-OE1 3.18Å; R160-E270 PolarHBondContact NH2-OE1 3.02Å |
| 161 | A | 86.2 | Confident | 84.8 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 61% | 0.612 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.9 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P159 L164 A165 | P159-A161 PolarHBondContact O-N 2.99Å; A161-L164 PolarHBondContact O-N 3.49Å; A161-A165 WeakPolarHBondContact O-CB 3.23Å; A161-A165 PolarHBondContact O-N 3.36Å |
| 162 | G | 85.4 | Confident | 85.7 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P159 R160 A165 A166 | P159-G162 WeakPolarHBondContact O-CA 3.39Å; P159-G162 PolarHBondContact O-N 2.84Å; R160-G162 VanDerWaalsContact C-N 3.33Å; R160-G162 PolarHBondContact O-N 2.83Å; G162-A165 PolarHBondContact O-N 3.38Å; G162-A166 PolarHBondContact O-N 2.86Å |
| 163 | L | 87.1 | Confident | 86.1 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 174 | -64.1 | 174.9 | 0 | 0 | 0 | 111.7 | L154 T158 P159 R160 A165 A166 L167 A269 L272 Q273 | L154-L163 HydrophobicContact CB-CD2 3.98Å; L154-L163 HydrophobicContact CD1-CD2 3.83Å; L154-L163 HydrophobicContact CD2-CD2 4.16Å; L154-L163 HydrophobicContact CG-CD2 4.2Å; T158-L163 HydrophobicContact CG2-CD2 4.08Å; T158-L163 HydrophobicContact CG2-CG 4.16Å; P159-L163 PolarHBondContact O-N 3.44Å; R160-L163 PolarHBondContact O-N 3.46Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.8Å; L163-A166 PolarHBondContact O-N 2.8Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.31Å; L163-L167 PolarHBondContact O-N 3.32Å; L163-A269 HydrophobicContact CB-CB 4.27Å; L163-L272 HydrophobicContact CD2-CB 4.46Å; L163-Q273 HydrophobicContact CD1-CB 3.62Å; L163-Q273 HydrophobicContact CD1-CG 4.1Å |
| 164 | L | 87.4 | Confident | 86.1 | Confident | 48 Ų | 48 | 38.7 Ų | 38.7 | 25% | 0.251 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | 177.7 | -70.3 | 170.8 | 0 | 0 | 0 | 112.1 | R160 A161 S168 V265 Q266 A269 | R160-L164 HydrophobicContact CG-CD1 4.35Å; R160-L164 VanDerWaalsContact O-CG 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.29Å; R160-L164 PolarHBondContact O-N 3.22Å; A161-L164 PolarHBondContact O-N 3.49Å; L164-S168 VanDerWaalsContact O-CB 3.27Å; L164-S168 WeakPolarHBondContact O-CB 3.4Å; L164-S168 PolarHBondContact O-N 2.94Å; L164-S168 PolarHBondContact O-OG 3.16Å; L164-V265 HydrophobicContact CD2-CG1 3.78Å; L164-Q266 HydrophobicContact CD2-CG 4.43Å; L164-A269 HydrophobicContact CD2-CB 3.68Å; L164-A269 HydrophobicContact CG-CB 4.19Å |
| 165 | A | 84.9 | Confident | 86 | Confident | 66 Ų | 66 | 38.6 Ų | 38.6 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A161 G162 L163 L167 S168 G169 | A161-A165 WeakPolarHBondContact O-CB 3.23Å; A161-A165 PolarHBondContact O-N 3.36Å; G162-A165 PolarHBondContact O-N 3.38Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.8Å; A165-L167 PolarHBondContact O-N 3.33Å; A165-S168 PolarHBondContact O-N 3.36Å; A165-G169 PolarHBondContact O-N 3Å |
| 166 | A | 85.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P152 L154 G162 L163 S168 G169 I171 | P152-A166 HydrophobicContact CG-CB 4.05Å; L154-A166 HydrophobicContact CD1-CB 4.02Å; L154-A166 HydrophobicContact CD2-CB 3.87Å; L154-A166 HydrophobicContact CG-CB 4.48Å; G162-A166 PolarHBondContact O-N 2.86Å; L163-A166 PolarHBondContact O-N 2.8Å; A166-S168 PolarHBondContact O-N 3.05Å; A166-G169 PolarHBondContact O-N 3.44Å; A166-G169 VanDerWaalsContact O-N 3.16Å; A166-I171 VanDerWaalsContact O-CG2 3.27Å; A166-I171 WeakPolarHBondContact O-CG2 3.37Å |
| 167 | L | 86.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.9 | -20.5 | 177.6 | -72.1 | 168.7 | 0 | 0 | 0 | 114.1 | F140 L163 A165 G169 I171 L235 V265 A268 A269 L272 | F140-L167 HydrophobicContact CE2-CD2 4.27Å; F140-L167 HydrophobicContact CZ-CD2 3.94Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 WeakPolarHBondContact O-CG 3.31Å; L163-L167 PolarHBondContact O-N 3.32Å; A165-L167 PolarHBondContact O-N 3.33Å; L167-G169 VanDerWaalsContact C-N 3.34Å; L167-I171 HydrophobicContact CB-CD1 4.48Å; L167-I171 HydrophobicContact CD2-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.49Å; L167-L235 HydrophobicContact CD2-CD1 4.39Å; L167-L235 HydrophobicContact CD2-CD2 4.43Å; L167-V265 HydrophobicContact CB-CG1 4.08Å; L167-A268 HydrophobicContact CD1-CB 3.86Å; L167-A268 HydrophobicContact CD2-CB 4.23Å; L167-A269 VanDerWaalsContact CD1-CA 3.45Å; L167-A269 HydrophobicContact CD1-CB 3.68Å; L167-A269 VanDerWaalsContact CD1-N 3.27Å; L167-L272 HydrophobicContact CD1-CD1 4.19Å; L167-L272 HydrophobicContact CD2-CD1 3.92Å; L167-L272 HydrophobicContact CG-CD1 4.19Å |
| 168 | S | 81.2 | Confident | 85.4 | Confident | 47 Ų | 47 | 40 Ų | 40 | 33% | 0.329 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.4 | 175.4 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | L164 A165 A166 | L164-S168 VanDerWaalsContact O-CB 3.27Å; L164-S168 WeakPolarHBondContact O-CB 3.4Å; L164-S168 PolarHBondContact O-N 2.94Å; L164-S168 PolarHBondContact O-OG 3.16Å; A165-S168 PolarHBondContact O-N 3.36Å; A166-S168 PolarHBondContact O-N 3.05Å |
| 169 | G | 78.1 | Confident | 85 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -80.3 | -170 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A165 A166 L167 I171 | A165-G169 PolarHBondContact O-N 3Å; A166-G169 PolarHBondContact O-N 3.44Å; A166-G169 VanDerWaalsContact O-N 3.16Å; L167-G169 VanDerWaalsContact C-N 3.34Å; G169-I171 VanDerWaalsContact C-N 3.26Å; G169-I171 PolarHBondContact O-N 3.08Å |
| 170 | D | 79.9 | Confident | 84.9 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 32% | 0.316 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -76.2 | 77.5 | 173.8 | -174.3 | 34.9 | 0 | 0 | 0 | 111.3 | Q151 R208 | Q151-D170 PolarHBondContact NE2-O 3.28Å; D170-R208 PolarHBondContact O-NE 3.19Å; D170-R208 IonicContact OD1-NH2 3.24Å; D170-R208 IonicContact OD2-CZ 2.96Å; D170-R208 IonicContact OD2-NE 3.24Å; D170-R208 PolarHBondContact OD2-NE 3.27Å; D170-R208 IonicContact OD2-NH2 2.9Å; D170-R208 PolarHBondContact OD2-NH2 3.2Å |
| 171 | I | 86.2 | Confident | 84.6 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | trans | -108.7 | 7.5 | -178.1 | 60.1 | 150.4 | 0 | 0 | 0 | 113 | F140 A166 L167 G169 Y207 R208 L242 | F140-I171 HydrophobicContact CD1-CB 4.16Å; F140-I171 HydrophobicContact CD1-CG2 4.11Å; F140-I171 HydrophobicContact CD2-CG2 3.72Å; F140-I171 HydrophobicContact CE1-CB 4Å; F140-I171 HydrophobicContact CE1-CD1 4.35Å; F140-I171 HydrophobicContact CE1-CG2 4.16Å; F140-I171 HydrophobicContact CE2-CB 4.45Å; F140-I171 HydrophobicContact CE2-CG2 3.8Å; F140-I171 HydrophobicContact CG-CB 4.44Å; F140-I171 HydrophobicContact CG-CG2 3.89Å; F140-I171 HydrophobicContact CZ-CB 4.18Å; F140-I171 HydrophobicContact CZ-CD1 4.01Å; F140-I171 HydrophobicContact CZ-CG2 4.03Å; A166-I171 VanDerWaalsContact O-CG2 3.27Å; A166-I171 WeakPolarHBondContact O-CG2 3.37Å; L167-I171 HydrophobicContact CB-CD1 4.48Å; L167-I171 HydrophobicContact CD2-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.49Å; G169-I171 VanDerWaalsContact C-N 3.26Å; G169-I171 PolarHBondContact O-N 3.08Å; I171-Y207 HydrophobicContact CD1-CD1 4.22Å; I171-Y207 HydrophobicContact CD1-CE1 4.06Å; I171-Y207 CarbonylContact O-C 3.58Å; I171-Y207 WeakPolarHBondContact O-CA 3.47Å; I171-R208 PolarHBondContact O-N 3.19Å; I171-L242 HydrophobicContact CD1-CD1 4.19Å | ||
| 172 | T | 88.3 | Confident | 84.7 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 148.4 | 179.3 | 62 | 0 | 0 | 0 | 0 | 111.2 | F206 Y207 P239 | T172-F206 CarbonylContact C-O 3.47Å; T172-F206 WeakPolarHBondContact CA-O 3.48Å; T172-F206 WeakPolarHBondContact CB-O 3.34Å; T172-Y207 HydrophobicContact CG2-CD1 4.07Å; T172-Y207 HydrophobicContact CG2-CE1 4.28Å; T172-P239 HydrophobicContact CG2-CB 3.76Å |
| 173 | Y | 87.9 | Confident | 84.8 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.1 | 174.7 | 68.7 | -83.5 | 0 | 0 | 0 | 110.8 | A180 E182 R205 F206 Y207 R208 P228 | Y173-A180 VanDerWaalsContact CE2-O 3.29Å; Y173-A180 WeakPolarHBondContact CE2-O 3.5Å; Y173-A180 PolarHBondContact OH-O 3.09Å; Y173-E182 VanDerWaalsContact CB-OE1 3.31Å; Y173-E182 WeakPolarHBondContact CB-OE1 3.22Å; Y173-E182 HydrophobicContact CD2-CB 3.52Å; Y173-E182 HydrophobicContact CD2-CG 3.6Å; Y173-E182 HydrophobicContact CE2-CB 3.75Å; Y173-E182 HydrophobicContact CE2-CG 4.35Å; Y173-E182 HydrophobicContact CG-CB 4.35Å; Y173-E182 HydrophobicContact CG-CG 4.12Å; Y173-R205 WeakPolarHBondContact O-CA 3.44Å; Y173-R205 WeakPolarHBondContact O-CG 3.39Å; Y173-F206 HydrophobicContact CD1-CB 4.25Å; Y173-F206 HydrophobicContact CE1-CB 3.69Å; Y173-F206 HydrophobicContact CE2-CB 4.16Å; Y173-F206 HydrophobicContact CE2-CD2 4.2Å; Y173-F206 PolarHBondContact N-O 2.92Å; Y173-F206 PolarHBondContact O-N 2.74Å; Y173-Y207 VanDerWaalsContact CE1-O 3.27Å; Y173-Y207 WeakPolarHBondContact CE1-O 3.39Å; Y173-R208 HydrophobicContact CD1-CG 3.97Å; Y173-P228 HydrophobicContact CE1-CG 4.44Å |
| 174 | T | 88.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.1 | 170.9 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | L183 Y191 L203 | T174-L183 PolarHBondContact O-N 3.18Å; T174-L183 VanDerWaalsContact O-N 3.13Å; T174-Y191 VanDerWaalsContact CB-CZ 3.45Å; T174-Y191 VanDerWaalsContact CB-OH 3.28Å; T174-Y191 WeakPolarHBondContact CB-OH 3.45Å; T174-Y191 HydrophobicContact CG2-CD1 4.2Å; T174-Y191 HydrophobicContact CG2-CD2 4.28Å; T174-Y191 HydrophobicContact CG2-CE1 3.75Å; T174-Y191 HydrophobicContact CG2-CE2 3.81Å; T174-Y191 HydrophobicContact CG2-CG 4.45Å; T174-Y191 PolarHBondContact OG1-OH 3.32Å; T174-L203 HydrophobicContact CG2-CB 4.26Å |
| 175 | G | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 179.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G177 A181 R204 | G175-G177 PolarHBondContact O-N 3.09Å; G175-A181 CarbonylContact C-O 3.59Å; G175-A181 WeakPolarHBondContact CA-O 3.4Å; G175-R204 PolarHBondContact N-O 3.38Å; G175-R204 PolarHBondContact O-N 2.81Å; G175-R204 VanDerWaalsContact O-O 3.09Å |
| 176 | C | 85.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 130 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | R178 C179 A180 A181 L183 C194 F206 | C176-R178 PolarHBondContact O-N 2.84Å; C176-R178 PolarHBondContact SG-N 3.4Å; C176-R178 VanDerWaalsContact SG-N 3.45Å; C176-C179 VanDerWaalsContact CB-SG 3.59Å; C176-A180 WeakPolarHBondContact O-CA 3.43Å; C176-A180 PolarHBondContact O-N 2.77Å; C176-A181 PolarHBondContact N-O 3.36Å; C176-L183 HydrophobicContact CB-CD1 4.29Å; C176-C194 HydrophobicContact CB-CB 3.74Å; C176-F206 WeakPolarHBondContact O-CE2 3.31Å |
| 177 | G | 81.4 | Confident | 84.8 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G175 A202 | G175-G177 PolarHBondContact O-N 3.09Å; G177-A202 PolarHBondContact N-O 2.84Å |
| 178 | R | 81.4 | Confident | 84.9 | Confident | 170 Ų | 170 | 61.4 Ų | 61.4 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -56.6 | 179.2 | -169.5 | 176.5 | 174.3 | -174.4 | -2.8 | 113.5 | C176 C197 L200 | C176-R178 PolarHBondContact O-N 2.84Å; C176-R178 PolarHBondContact SG-N 3.4Å; C176-R178 VanDerWaalsContact SG-N 3.45Å; R178-C197 HydrophobicContact CB-CB 4.22Å; R178-L200 HydrophobicContact CB-CD2 3.68Å; R178-L200 HydrophobicContact CG-CD2 4.18Å |
| 179 | C | 79.4 | Confident | 84.9 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -3.8 | -174.4 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | C176 A181 C194 | C176-C179 VanDerWaalsContact CB-SG 3.59Å; C179-A181 PolarHBondContact O-N 2.84Å; C179-A181 VanDerWaalsContact O-N 3.1Å; C179-A181 WeakPolarHBondContact SG-CB 3.36Å; C179-C194 VanDerWaalsContact SG-SG 3.6Å |
| 180 | A | 84.9 | Confident | 85.2 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | trans | 57.9 | 15.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | Y173 C176 E182 F206 | Y173-A180 VanDerWaalsContact CE2-O 3.29Å; Y173-A180 WeakPolarHBondContact CE2-O 3.5Å; Y173-A180 PolarHBondContact OH-O 3.09Å; C176-A180 WeakPolarHBondContact O-CA 3.43Å; C176-A180 PolarHBondContact O-N 2.77Å; A180-E182 PolarHBondContact O-N 2.83Å; A180-F206 HydrophobicContact CB-CD1 4.02Å; A180-F206 HydrophobicContact CB-CD2 4.16Å; A180-F206 HydrophobicContact CB-CE1 3.76Å; A180-F206 HydrophobicContact CB-CE2 3.92Å; A180-F206 HydrophobicContact CB-CG 4.21Å; A180-F206 HydrophobicContact CB-CZ 3.69Å | ||
| 181 | A | 82.4 | Confident | 85.5 | Confident | 45 Ų | 45 | 66 Ų | 66 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | trans | -62.4 | 133.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G175 C176 C179 | G175-A181 CarbonylContact C-O 3.59Å; G175-A181 WeakPolarHBondContact CA-O 3.4Å; C176-A181 PolarHBondContact N-O 3.36Å; C179-A181 PolarHBondContact O-N 2.84Å; C179-A181 VanDerWaalsContact O-N 3.1Å; C179-A181 WeakPolarHBondContact SG-CB 3.36Å | ||
| 182 | E | 87.8 | Confident | 85.5 | Confident | 86 Ų | 86 | 68 Ų | 68 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 135.4 | 173.8 | -172.5 | 160.2 | -161.6 | 0 | 0 | 109.4 | Y173 A180 R208 | Y173-E182 VanDerWaalsContact CB-OE1 3.31Å; Y173-E182 WeakPolarHBondContact CB-OE1 3.22Å; Y173-E182 HydrophobicContact CD2-CB 3.52Å; Y173-E182 HydrophobicContact CD2-CG 3.6Å; Y173-E182 HydrophobicContact CE2-CB 3.75Å; Y173-E182 HydrophobicContact CE2-CG 4.35Å; Y173-E182 HydrophobicContact CG-CB 4.35Å; Y173-E182 HydrophobicContact CG-CG 4.12Å; A180-E182 PolarHBondContact O-N 2.83Å; E182-R208 VanDerWaalsContact CD-NH1 3.27Å; E182-R208 IonicContact OE1-CZ 3.46Å; E182-R208 IonicContact OE1-NH1 2.86Å; E182-R208 PolarHBondContact OE1-NH1 3.24Å; E182-R208 IonicContact OE1-NH2 3.15Å; E182-R208 PolarHBondContact OE1-NH2 3.2Å; E182-R208 VanDerWaalsContact OE1-NH2 3.15Å; E182-R208 IonicContact OE2-NH1 3.5Å; E182-R208 PolarHBondContact OE2-NH1 3.16Å |
| 183 | L | 87.8 | Confident | 85.3 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | trans | -111.2 | 127.2 | -176.4 | -65 | 175.3 | 0 | 0 | 0 | 110 | T174 C176 Y191 C194 L203 | T174-L183 PolarHBondContact O-N 3.18Å; T174-L183 VanDerWaalsContact O-N 3.13Å; C176-L183 HydrophobicContact CB-CD1 4.29Å; L183-Y191 HydrophobicContact CB-CD1 4.02Å; L183-Y191 WeakPolarHBondContact O-CD1 3.07Å; L183-C194 HydrophobicContact CD2-CB 3.88Å; L183-L203 HydrophobicContact CD1-CD2 3.29Å | ||
| 184 | D | 86.4 | Confident | 85.2 | Confident | 123 Ų | 123 | 69.4 Ų | 69.4 | 66% | 0.658 | 37% | 0.372 | S | S | * | . | trans | -72.1 | 158.3 | 172.8 | -64.2 | -44.7 | 0 | 0 | 0 | 110.8 | Y191 T192 | D184-Y191 WeakPolarHBondContact O-CA 3.42Å; D184-T192 PolarHBondContact O-N 3.17Å; D184-T192 PolarHBondContact O-OG1 2.79Å | ||
| 185 | T | 85.7 | Confident | 84.8 | Confident | 75 Ų | 75 | 77 Ų | 77 | 46% | 0.46 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -103.5 | 144.4 | 171.8 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | I190 Y191 | T185-I190 CarbonylContact C-O 3.58Å; T185-I190 VanDerWaalsContact CA-O 3.31Å; T185-I190 WeakPolarHBondContact CA-O 3.04Å; T185-Y191 HydrophobicContact CG2-CD1 3.6Å; T185-Y191 HydrophobicContact CG2-CE1 3.6Å; T185-Y191 HydrophobicContact CG2-CG 4.09Å |
| 186 | D | 85.5 | Confident | 84.5 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 35% | 0.353 | 44% | 0.436 | S | S | . | . | trans | -73.9 | -177.6 | 171.2 | 75.3 | 4.2 | 0 | 0 | 0 | 111.4 | N188 G189 I190 | D186-N188 PolarHBondContact O-N 2.61Å; D186-N188 WeakPolarHBondContact OD1-CA 3.47Å; D186-N188 WeakPolarHBondContact OD1-CB 3.17Å; D186-N188 PolarHBondContact OD1-N 3.03Å; D186-G189 PolarHBondContact O-N 3.17Å; D186-G189 PolarHBondContact OD1-N 2.99Å; D186-I190 PolarHBondContact N-O 3.14Å; D186-I190 PolarHBondContact OD1-N 2.91Å | ||
| 187 | R | 87.5 | Confident | 84.3 | Confident | 253 Ų | 253 | 81.6 Ų | 81.6 | 96% | 0.955 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.4 | 179.9 | -62.8 | -179.2 | -177.9 | 177.9 | 0.3 | 113.9 | ||
| 188 | N | 86.9 | Confident | 84.3 | Confident | 131 Ų | 131 | 84.2 Ų | 84.2 | 70% | 0.701 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.5 | 179.4 | -55.8 | -48.4 | 0 | 0 | 0 | 112 | D186 I190 | D186-N188 PolarHBondContact O-N 2.61Å; D186-N188 WeakPolarHBondContact OD1-CA 3.47Å; D186-N188 WeakPolarHBondContact OD1-CB 3.17Å; D186-N188 PolarHBondContact OD1-N 3.03Å; N188-I190 VanDerWaalsContact C-N 3.29Å; N188-I190 HydrophobicContact CB-CD1 4.27Å; N188-I190 HydrophobicContact CB-CG1 4.25Å |
| 189 | G | 82.9 | Confident | 83.9 | Confident | 49 Ų | 49 | 82 Ų | 82 | 51% | 0.505 | 45% | 0.451 | S | S | . | . | S | Bend | trans | 76.4 | 14.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D186 | D186-G189 PolarHBondContact O-N 3.17Å; D186-G189 PolarHBondContact OD1-N 2.99Å |
| 190 | I | 84.3 | Confident | 83.5 | Confident | 105 Ų | 105 | 82.5 Ų | 82.5 | 54% | 0.538 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -90 | 129.4 | 179.2 | -57.9 | 175.5 | 0 | 0 | 0 | 108.7 | T185 D186 N188 T192 | T185-I190 CarbonylContact C-O 3.58Å; T185-I190 VanDerWaalsContact CA-O 3.31Å; T185-I190 WeakPolarHBondContact CA-O 3.04Å; D186-I190 PolarHBondContact N-O 3.14Å; D186-I190 PolarHBondContact OD1-N 2.91Å; N188-I190 VanDerWaalsContact C-N 3.29Å; N188-I190 HydrophobicContact CB-CD1 4.27Å; N188-I190 HydrophobicContact CB-CG1 4.25Å; I190-T192 PolarHBondContact O-N 3.35Å |
| 191 | Y | 85.8 | Confident | 82.9 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 35% | 0.345 | 47% | 0.466 | S | S | . | . | B | Isolated β-bridge | trans | -60.9 | 126.7 | 176.5 | -71 | -74.6 | 0 | 0 | 0 | 111.3 | T174 L183 D184 T185 L203 | T174-Y191 VanDerWaalsContact CB-CZ 3.45Å; T174-Y191 VanDerWaalsContact CB-OH 3.28Å; T174-Y191 WeakPolarHBondContact CB-OH 3.45Å; T174-Y191 HydrophobicContact CG2-CD1 4.2Å; T174-Y191 HydrophobicContact CG2-CD2 4.28Å; T174-Y191 HydrophobicContact CG2-CE1 3.75Å; T174-Y191 HydrophobicContact CG2-CE2 3.81Å; T174-Y191 HydrophobicContact CG2-CG 4.45Å; T174-Y191 PolarHBondContact OG1-OH 3.32Å; L183-Y191 HydrophobicContact CB-CD1 4.02Å; L183-Y191 WeakPolarHBondContact O-CD1 3.07Å; D184-Y191 WeakPolarHBondContact O-CA 3.42Å; T185-Y191 HydrophobicContact CG2-CD1 3.6Å; T185-Y191 HydrophobicContact CG2-CE1 3.6Å; T185-Y191 HydrophobicContact CG2-CG 4.09Å; Y191-L203 HydrophobicContact CD2-CD1 3.5Å; Y191-L203 VanDerWaalsContact CD2-CD1 3.5Å; Y191-L203 HydrophobicContact CE2-CD1 4.34Å; Y191-L203 HydrophobicContact CG-CD1 3.95Å; Y191-L203 HydrophobicContact CG-CD2 4.18Å |
| 192 | T | 86.5 | Confident | 83 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 27% | 0.27 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 143.5 | 172.6 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | D184 I190 | D184-T192 PolarHBondContact O-N 3.17Å; D184-T192 PolarHBondContact O-OG1 2.79Å; I190-T192 PolarHBondContact O-N 3.35Å |
| 193 | P | 83.4 | Confident | 83 | Confident | 50 Ų | 50 | 85.9 Ų | 85.9 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 143.2 | 177.9 | 27.7 | -33.1 | 0 | 0 | 0 | 110.2 | Y195 L198 | P193-Y195 HydrophobicContact CG-CE1 4.07Å; P193-Y195 PolarHBondContact O-N 3.15Å; P193-L198 HydrophobicContact CB-CD2 4.18Å |
| 194 | C | 85.6 | Confident | 83 | Confident | 12 Ų | 12 | 90.5 Ų | 90.5 | 8% | 0.081 | 49% | 0.485 | C | S | . | . | trans | -70.3 | 96.3 | 168.3 | -172.7 | 0 | 0 | 0 | 0 | 109.5 | C176 C179 L183 A196 C197 L198 | C176-C194 HydrophobicContact CB-CB 3.74Å; C179-C194 VanDerWaalsContact SG-SG 3.6Å; L183-C194 HydrophobicContact CD2-CB 3.88Å; C194-A196 PolarHBondContact O-N 3.49Å; C194-A196 VanDerWaalsContact O-N 3.17Å; C194-C197 HydrophobicContact CB-CB 4.02Å; C194-C197 PolarHBondContact O-N 3.15Å; C194-L198 PolarHBondContact O-N 3.24Å | ||
| 195 | Y | 81.5 | Confident | 83.1 | Confident | 178 Ų | 178 | 87.6 Ų | 87.6 | 70% | 0.698 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -55.6 | -35.1 | -178.4 | -68.3 | -71.8 | 0 | 0 | 0 | 113.1 | P193 C197 L198 | P193-Y195 HydrophobicContact CG-CE1 4.07Å; P193-Y195 PolarHBondContact O-N 3.15Å; Y195-C197 VanDerWaalsContact C-N 3.27Å; Y195-C197 PolarHBondContact O-N 3.24Å; Y195-L198 HydrophobicContact CD1-CD1 4.01Å |
| 196 | A | 81.3 | Confident | 83.2 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 77% | 0.769 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -69.2 | -20.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C194 | C194-A196 PolarHBondContact O-N 3.49Å; C194-A196 VanDerWaalsContact O-N 3.17Å |
| 197 | C | 81.6 | Confident | 83.4 | Confident | 7 Ų | 7 | 81.3 Ų | 81.3 | 5% | 0.047 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -112.2 | 3.2 | -174.8 | -70 | 0 | 0 | 0 | 0 | 114.1 | R178 C194 Y195 L200 | R178-C197 HydrophobicContact CB-CB 4.22Å; C194-C197 HydrophobicContact CB-CB 4.02Å; C194-C197 PolarHBondContact O-N 3.15Å; Y195-C197 VanDerWaalsContact C-N 3.27Å; Y195-C197 PolarHBondContact O-N 3.24Å; C197-L200 WeakPolarHBondContact O-CB 3.35Å; C197-L200 PolarHBondContact O-N 2.76Å |
| 198 | L | 81.3 | Confident | 83.5 | Confident | 87 Ų | 87 | 70.2 Ų | 70.2 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 143.1 | 177.8 | -74 | 174.8 | 0 | 0 | 0 | 111.8 | P193 C194 Y195 L200 | P193-L198 HydrophobicContact CB-CD2 4.18Å; C194-L198 PolarHBondContact O-N 3.24Å; Y195-L198 HydrophobicContact CD1-CD1 4.01Å; L198-L200 VanDerWaalsContact C-N 3.33Å |
| 199 | P | 74.5 | Confident | 83.6 | Confident | 123 Ų | 123 | 65.9 Ų | 65.9 | 80% | 0.799 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.9 | 9 | 5.4 | 35.5 | -36.6 | 0 | 0 | 0 | 114.3 | T201 | P199-T201 PolarHBondContact O-N 2.9Š|
| 200 | L | 69.1 | Low | 84 | Confident | 76 Ų | 76 | 63.5 Ų | 63.5 | 40% | 0.398 | 34% | 0.341 | S | S | . | . | trans | -76.3 | 112.3 | -176.1 | -176.4 | 58.5 | 0 | 0 | 0 | 111.4 | R178 C197 L198 A202 | R178-L200 HydrophobicContact CB-CD2 3.68Å; R178-L200 HydrophobicContact CG-CD2 4.18Å; C197-L200 WeakPolarHBondContact O-CB 3.35Å; C197-L200 PolarHBondContact O-N 2.76Å; L198-L200 VanDerWaalsContact C-N 3.33Å; L200-A202 HydrophobicContact CD1-CB 3.75Å; L200-A202 HydrophobicContact CG-CB 4.22Å | ||
| 201 | T | 74.1 | Confident | 84.4 | Confident | 93 Ų | 93 | 60 Ų | 60 | 57% | 0.571 | 33% | 0.325 | S | S | * | . | trans | -105.1 | 9.1 | 179.9 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | P199 L203 | P199-T201 PolarHBondContact O-N 2.9Å; T201-L203 PolarHBondContact O-N 2.81Å | ||
| 202 | A | 83.4 | Confident | 84.7 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 38% | 0.38 | 31% | 0.308 | S | S | . | . | trans | -56.4 | 126 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G177 L200 | G177-A202 PolarHBondContact N-O 2.84Å; L200-A202 HydrophobicContact CD1-CB 3.75Å; L200-A202 HydrophobicContact CG-CB 4.22Å | ||
| 203 | L | 88.3 | Confident | 85 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 140.8 | 173.1 | -59.6 | 175.7 | 0 | 0 | 0 | 108.8 | T174 L183 Y191 T201 | T174-L203 HydrophobicContact CG2-CB 4.26Å; L183-L203 HydrophobicContact CD1-CD2 3.29Å; Y191-L203 HydrophobicContact CD2-CD1 3.5Å; Y191-L203 VanDerWaalsContact CD2-CD1 3.5Å; Y191-L203 HydrophobicContact CE2-CD1 4.34Å; Y191-L203 HydrophobicContact CG-CD1 3.95Å; Y191-L203 HydrophobicContact CG-CD2 4.18Å; T201-L203 PolarHBondContact O-N 2.81Å |
| 204 | R | 87.6 | Confident | 85.4 | Confident | 114 Ų | 114 | 53 Ų | 53 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 147.9 | 173.5 | 178.5 | 172.6 | 172.1 | -173 | -2.1 | 109.4 | G175 F206 | G175-R204 PolarHBondContact N-O 3.38Å; G175-R204 PolarHBondContact O-N 2.81Å; G175-R204 VanDerWaalsContact O-O 3.09Å; R204-F206 HydrophobicContact CB-CE2 3.72Å; R204-F206 HydrophobicContact CB-CZ 3.77Å; R204-F206 HydrophobicContact CG-CE1 4.15Å; R204-F206 HydrophobicContact CG-CE2 4.01Å; R204-F206 HydrophobicContact CG-CZ 3.78Å; R204-F206 VanDerWaalsContact O-CD2 3.24Å; R204-F206 WeakPolarHBondContact O-CD2 3.22Å; R204-F206 VanDerWaalsContact O-CE2 3.28Å; R204-F206 WeakPolarHBondContact O-CE2 3.42Å |
| 205 | R | 88 | Confident | 85.6 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 140.3 | 172 | -162.1 | 168.4 | -76.1 | 179.6 | -9.7 | 111.1 | Y173 P239 D240 | Y173-R205 WeakPolarHBondContact O-CA 3.44Å; Y173-R205 WeakPolarHBondContact O-CG 3.39Å; R205-P239 HydrophobicContact CB-CG 4.31Å; R205-P239 HydrophobicContact CG-CB 4.14Å; R205-P239 HydrophobicContact CG-CG 4.46Å; R205-P239 VanDerWaalsContact O-CG 3.23Å; R205-P239 WeakPolarHBondContact O-CG 3.36Å; R205-D240 WeakPolarHBondContact CB-OD1 3.44Å; R205-D240 WeakPolarHBondContact CD-OD1 3.28Å; R205-D240 IonicContact NE-OD1 2.92Å |
| 206 | F | 88.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.5 | -178.9 | -63.3 | -80.4 | 0 | 0 | 0 | 109.8 | T172 Y173 C176 A180 R204 P228 | T172-F206 CarbonylContact C-O 3.47Å; T172-F206 WeakPolarHBondContact CA-O 3.48Å; T172-F206 WeakPolarHBondContact CB-O 3.34Å; Y173-F206 HydrophobicContact CD1-CB 4.25Å; Y173-F206 HydrophobicContact CE1-CB 3.69Å; Y173-F206 HydrophobicContact CE2-CB 4.16Å; Y173-F206 HydrophobicContact CE2-CD2 4.2Å; Y173-F206 PolarHBondContact N-O 2.92Å; Y173-F206 PolarHBondContact O-N 2.74Å; C176-F206 WeakPolarHBondContact O-CE2 3.31Å; A180-F206 HydrophobicContact CB-CD1 4.02Å; A180-F206 HydrophobicContact CB-CD2 4.16Å; A180-F206 HydrophobicContact CB-CE1 3.76Å; A180-F206 HydrophobicContact CB-CE2 3.92Å; A180-F206 HydrophobicContact CB-CG 4.21Å; A180-F206 HydrophobicContact CB-CZ 3.69Å; R204-F206 HydrophobicContact CB-CE2 3.72Å; R204-F206 HydrophobicContact CB-CZ 3.77Å; R204-F206 HydrophobicContact CG-CE1 4.15Å; R204-F206 HydrophobicContact CG-CE2 4.01Å; R204-F206 HydrophobicContact CG-CZ 3.78Å; R204-F206 VanDerWaalsContact O-CD2 3.24Å; R204-F206 WeakPolarHBondContact O-CD2 3.22Å; R204-F206 VanDerWaalsContact O-CE2 3.28Å; R204-F206 WeakPolarHBondContact O-CE2 3.42Å; F206-P228 HydrophobicContact CB-CB 3.92Å; F206-P228 HydrophobicContact CB-CG 4.31Å; F206-P228 HydrophobicContact CD1-CB 4.12Å; F206-P228 HydrophobicContact CG-CB 4.44Å |
| 207 | Y | 89.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 144.3 | 164.5 | -73.9 | -77.6 | 0 | 0 | 0 | 110.1 | I171 T172 Y173 P228 L231 Q232 L235 A237 P239 L242 | I171-Y207 HydrophobicContact CD1-CD1 4.22Å; I171-Y207 HydrophobicContact CD1-CE1 4.06Å; I171-Y207 CarbonylContact O-C 3.58Å; I171-Y207 WeakPolarHBondContact O-CA 3.47Å; T172-Y207 HydrophobicContact CG2-CD1 4.07Å; T172-Y207 HydrophobicContact CG2-CE1 4.28Å; Y173-Y207 VanDerWaalsContact CE1-O 3.27Å; Y173-Y207 WeakPolarHBondContact CE1-O 3.39Å; Y207-P228 VanDerWaalsContact O-CB 3.31Å; Y207-P228 WeakPolarHBondContact O-CB 3.41Å; Y207-P228 VanDerWaalsContact O-CG 3.27Å; Y207-P228 WeakPolarHBondContact O-CG 3.15Å; Y207-L231 HydrophobicContact CG-CD2 4.3Å; Y207-L231 HydrophobicContact CG-CG 4.26Å; Y207-Q232 HydrophobicContact CD2-CB 3.89Å; Y207-Q232 HydrophobicContact CE2-CB 3.85Å; Y207-Q232 HydrophobicContact CE2-CG 4.05Å; Y207-L235 HydrophobicContact CD1-CD1 3.89Å; Y207-L235 HydrophobicContact CE1-CD1 3.47Å; Y207-L235 VanDerWaalsContact CE1-CD1 3.47Å; Y207-L235 HydrophobicContact CE2-CD1 4.25Å; Y207-L235 HydrophobicContact CG-CD1 4.4Å; Y207-A237 WeakPolarHBondContact CE2-O 3.43Å; Y207-A237 PolarHBondContact OH-O 2.76Å; Y207-P239 HydrophobicContact CD2-CB 4.01Å; Y207-P239 HydrophobicContact CD2-CG 4.42Å; Y207-P239 HydrophobicContact CE1-CB 4.39Å; Y207-P239 HydrophobicContact CE2-CB 3.84Å; Y207-P239 HydrophobicContact CE2-CG 4.27Å; Y207-P239 HydrophobicContact CG-CB 4.33Å; Y207-L242 HydrophobicContact CE1-CD1 3.4Å; Y207-L242 VanDerWaalsContact CE1-CD1 3.4Å; Y207-L242 WeakPolarHBondContact OH-CD1 3.09Å |
| 208 | R | 89.3 | Confident | 84.9 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 8% | 0.075 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 136 | 164.9 | -68.5 | -158 | -175.9 | -75.2 | -2.1 | 108.8 | D170 I171 Y173 E182 L231 | D170-R208 PolarHBondContact O-NE 3.19Å; D170-R208 IonicContact OD1-NH2 3.24Å; D170-R208 IonicContact OD2-CZ 2.96Å; D170-R208 IonicContact OD2-NE 3.24Å; D170-R208 PolarHBondContact OD2-NE 3.27Å; D170-R208 IonicContact OD2-NH2 2.9Å; D170-R208 PolarHBondContact OD2-NH2 3.2Å; I171-R208 PolarHBondContact O-N 3.19Å; Y173-R208 HydrophobicContact CD1-CG 3.97Å; E182-R208 VanDerWaalsContact CD-NH1 3.27Å; E182-R208 IonicContact OE1-CZ 3.46Å; E182-R208 IonicContact OE1-NH1 2.86Å; E182-R208 PolarHBondContact OE1-NH1 3.24Å; E182-R208 IonicContact OE1-NH2 3.15Å; E182-R208 PolarHBondContact OE1-NH2 3.2Å; E182-R208 VanDerWaalsContact OE1-NH2 3.15Å; E182-R208 IonicContact OE2-NH1 3.5Å; E182-R208 PolarHBondContact OE2-NH1 3.16Å; R208-L231 WeakPolarHBondContact O-CD2 3.44Å |
| 209 | P | 89.7 | Confident | 83.8 | Confident | 39 Ų | 39 | 52 Ų | 52 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 150.9 | 178.3 | -23.1 | 32.8 | 0 | 0 | 0 | 111.3 | Q141 V226 P228 | Q141-P209 VanDerWaalsContact CB-O 3.3Å; Q141-P209 WeakPolarHBondContact CB-O 3.38Å; Q141-P209 PolarHBondContact N-O 2.85Å; P209-V226 CarbonylContact C-O 3.56Å; P209-V226 WeakPolarHBondContact CA-O 3.45Å; P209-P228 HydrophobicContact CG-CG 4.33Å |
| 210 | G | 90.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 174 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q139 V226 | Q139-G210 CarbonylContact O-C 3.55Å; Q139-G210 WeakPolarHBondContact O-CA 3.46Å; G210-V226 PolarHBondContact N-O 2.9Å; G210-V226 PolarHBondContact O-N 3.05Å |
| 211 | V | 92.8 | Very high | 84.2 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.4 | 168.6 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | F138 Q139 Q141 T223 V224 | F138-V211 WeakPolarHBondContact CA-O 3.33Å; Q139-V211 PolarHBondContact N-O 2.94Å; Q139-V211 PolarHBondContact O-N 3.3Å; Q141-V211 HydrophobicContact CG-CG2 3.9Å; V211-T223 HydrophobicContact CG1-CG2 4.37Å; V211-V224 WeakPolarHBondContact CA-O 3.41Å |
| 212 | L | 92.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.7 | 169.1 | -76.8 | 166.9 | 0 | 0 | 0 | 109 | V135 F138 V214 T223 V224 V226 L275 L306 L309 | V135-L212 HydrophobicContact CG1-CD2 3.68Å; F138-L212 HydrophobicContact CB-CD2 3.97Å; F138-L212 HydrophobicContact CD2-CD2 3.59Å; F138-L212 HydrophobicContact CD2-CG 3.93Å; F138-L212 HydrophobicContact CG-CD2 4.23Å; L212-V214 HydrophobicContact CB-CG1 4.2Å; L212-T223 CarbonylContact O-C 3.4Å; L212-T223 WeakPolarHBondContact O-CA 3.46Å; L212-V224 HydrophobicContact CB-CB 4.4Å; L212-V224 PolarHBondContact N-O 2.79Å; L212-V224 PolarHBondContact O-N 2.8Å; L212-V226 HydrophobicContact CB-CG2 4.16Å; L212-V226 HydrophobicContact CD1-CG2 3.47Å; L212-V226 VanDerWaalsContact CD1-CG2 3.47Å; L212-V226 HydrophobicContact CG-CG2 3.54Å; L212-L275 HydrophobicContact CD2-CD2 4.22Å; L212-L306 HydrophobicContact CD1-CD2 4.13Å; L212-L309 HydrophobicContact CD1-CD1 4.27Å |
| 213 | T | 92.4 | Very high | 85.2 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.9 | 166 | -47.6 | 0 | 0 | 0 | 0 | 107.8 | L136 S137 H221 L222 | L136-T213 WeakPolarHBondContact CA-O 3.18Å; L136-T213 HydrophobicContact CB-CG2 4.49Å; L136-T213 WeakPolarHBondContact CB-O 3.33Å; L136-T213 HydrophobicContact CD1-CG2 4.12Å; L136-T213 PolarHBondContact N-O 3.48Å; S137-T213 PolarHBondContact N-O 3.42Å; S137-T213 PolarHBondContact O-N 3.09Å; S137-T213 VanDerWaalsContact OG-CB 3.3Å; S137-T213 WeakPolarHBondContact OG-CB 3.46Å; S137-T213 PolarHBondContact OG-OG1 2.94Å; S137-T213 VanDerWaalsContact OG-OG1 3.05Å; T213-H221 HydrophobicContact CG2-CB 4.14Å; T213-L222 CarbonylContact C-O 3.58Å; T213-L222 WeakPolarHBondContact CA-O 3.4Å |
| 214 | V | 91.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 157.1 | -177.3 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | V133 Q134 V135 L212 H221 L222 V224 I285 | V133-V214 HydrophobicContact CB-CB 3.91Å; V133-V214 HydrophobicContact CB-CG2 4.1Å; V133-V214 HydrophobicContact CG1-CB 4.42Å; V133-V214 HydrophobicContact CG1-CG2 4.05Å; V133-V214 HydrophobicContact CG2-CB 3.77Å; V133-V214 HydrophobicContact CG2-CG1 3.97Å; V133-V214 HydrophobicContact CG2-CG2 4.11Å; Q134-V214 CarbonylContact O-C 3.42Å; Q134-V214 WeakPolarHBondContact O-CA 3.49Å; Q134-V214 WeakPolarHBondContact O-CB 3.31Å; V135-V214 HydrophobicContact CG2-CG1 4.3Å; L212-V214 HydrophobicContact CB-CG1 4.2Å; V214-H221 CarbonylContact O-C 3.56Å; V214-H221 WeakPolarHBondContact O-CA 3.33Å; V214-L222 HydrophobicContact CG2-CB 3.8Å; V214-L222 HydrophobicContact CG2-CD2 4.19Å; V214-L222 HydrophobicContact CG2-CG 4.37Å; V214-L222 PolarHBondContact N-O 2.95Å; V214-L222 PolarHBondContact O-N 2.8Å; V214-V224 HydrophobicContact CG2-CG2 4.09Å; V214-I285 HydrophobicContact CG2-CD1 4.37Å |
| 215 | S | 90.3 | Very high | 85.6 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.8 | 171.7 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | V133 Q134 L136 P220 | V133-S215 CarbonylContact C-O 3.55Å; V133-S215 VanDerWaalsContact CA-O 3.31Å; V133-S215 WeakPolarHBondContact CA-O 3.46Å; V133-S215 WeakPolarHBondContact CB-O 3.47Å; Q134-S215 PolarHBondContact N-O 3.45Å; Q134-S215 PolarHBondContact O-N 3.48Å; L136-S215 WeakPolarHBondContact CD2-OG 2.93Å; S215-P220 WeakPolarHBondContact CA-O 3.32Å |
| 216 | G | 85.4 | Confident | 85.8 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | trans | -86.9 | -161.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 217 | R | 77.3 | Confident | 85.9 | Confident | 198 Ų | 198 | 43.6 Ų | 43.6 | 75% | 0.747 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -77.8 | -32 | 178.2 | -66.4 | -178.3 | -178.6 | -145.3 | 2.8 | 112.2 | S219 W282 | R217-S219 PolarHBondContact O-N 2.84Å; R217-W282 HydrophobicContact CB-CH2 4.31Å; R217-W282 HydrophobicContact CG-CH2 3.47Å; R217-W282 VanDerWaalsContact CG-CH2 3.47Å; R217-W282 HydrophobicContact CG-CZ2 4.02Å; R217-W282 HydrophobicContact CG-CZ3 4.18Å |
| 218 | G | 65.6 | Low | 85.7 | Confident | 45 Ų | 45 | 44.3 Ų | 44.3 | 46% | 0.464 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -83.7 | 7.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | D118 P220 | D118-G218 PolarHBondContact OD2-N 2.76Å; D118-G218 VanDerWaalsContact OD2-N 3.16Å; G218-P220 WeakPolarHBondContact O-CD 3.4Å |
| 219 | S | 59 | Low | 85.5 | Confident | 97 Ų | 97 | 47.2 Ų | 47.2 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | trans | 75.1 | 4.7 | -176.4 | -35 | 0 | 0 | 0 | 0 | 119.8 | R217 | R217-S219 PolarHBondContact O-N 2.84Š| ||
| 220 | P | 68.2 | Low | 85.4 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | trans | -73.1 | 137.7 | 169.7 | 29.2 | -31.6 | 0 | 0 | 0 | 110.7 | L117 D118 L121 S215 G218 | L117-P220 HydrophobicContact CD2-CG 4.08Å; L117-P220 HydrophobicContact CG-CG 4.42Å; D118-P220 VanDerWaalsContact OD1-CD 3.29Å; D118-P220 WeakPolarHBondContact OD1-CD 3.36Å; D118-P220 WeakPolarHBondContact OD1-CG 3.16Å; L121-P220 HydrophobicContact CD1-CB 4.12Å; L121-P220 HydrophobicContact CD1-CG 4.17Å; S215-P220 WeakPolarHBondContact CA-O 3.32Å; G218-P220 WeakPolarHBondContact O-CD 3.4Å | ||
| 221 | H | 83.1 | Confident | 85.4 | Confident | 133 Ų | 133 | 45.9 Ų | 45.9 | 62% | 0.616 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.7 | 170.6 | -58.9 | -38.8 | 0 | 0 | 0 | 109.5 | L136 T213 V214 | L136-H221 VanDerWaalsContact CD1-CE1 3.42Å; L136-H221 WeakPolarHBondContact CD1-CE1 3.49Å; L136-H221 WeakPolarHBondContact CD1-ND1 3.49Å; T213-H221 HydrophobicContact CG2-CB 4.14Å; V214-H221 CarbonylContact O-C 3.56Å; V214-H221 WeakPolarHBondContact O-CA 3.33Å |
| 222 | L | 87.9 | Confident | 85.2 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.7 | 177.1 | -179.1 | 70.2 | 0 | 0 | 0 | 109.6 | L117 L121 L131 T213 V214 V224 F304 | L117-L222 HydrophobicContact CD1-CB 4.04Å; L117-L222 HydrophobicContact CD1-CD2 3.62Å; L117-L222 HydrophobicContact CD1-CG 4.26Å; L117-L222 HydrophobicContact CD2-CB 4.17Å; L121-L222 HydrophobicContact CD2-CD1 4.32Å; L131-L222 HydrophobicContact CD1-CD2 4.37Å; T213-L222 CarbonylContact C-O 3.58Å; T213-L222 WeakPolarHBondContact CA-O 3.4Å; V214-L222 HydrophobicContact CG2-CB 3.8Å; V214-L222 HydrophobicContact CG2-CD2 4.19Å; V214-L222 HydrophobicContact CG2-CG 4.37Å; V214-L222 PolarHBondContact N-O 2.95Å; V214-L222 PolarHBondContact O-N 2.8Å; L222-V224 HydrophobicContact CD2-CG2 3.7Å; L222-V224 HydrophobicContact CG-CG2 4.01Å; L222-F304 HydrophobicContact CD1-CD1 4.43Å; L222-F304 HydrophobicContact CD1-CD2 3.29Å; L222-F304 HydrophobicContact CD1-CE1 4.35Å; L222-F304 HydrophobicContact CD1-CE2 3.19Å; L222-F304 HydrophobicContact CD1-CG 3.94Å; L222-F304 HydrophobicContact CD1-CZ 3.74Å; L222-F304 HydrophobicContact CD2-CB 4.46Å; L222-F304 HydrophobicContact CD2-CD1 4.09Å; L222-F304 HydrophobicContact CD2-CD2 4.22Å; L222-F304 HydrophobicContact CD2-CE1 4.41Å; L222-F304 HydrophobicContact CD2-CG 3.98Å; L222-F304 HydrophobicContact CG-CD2 4.07Å; L222-F304 HydrophobicContact CG-CE2 4.35Å; L222-F304 HydrophobicContact CG-CG 4.3Å |
| 223 | T | 90.6 | Very high | 85 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.4 | 170.3 | 52.2 | 0 | 0 | 0 | 0 | 110.2 | V211 L212 | V211-T223 HydrophobicContact CG1-CG2 4.37Å; L212-T223 CarbonylContact O-C 3.4Å; L212-T223 WeakPolarHBondContact O-CA 3.46Å |
| 224 | V | 92.3 | Very high | 84.8 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 120.4 | -178.9 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | V211 L212 V214 L222 I285 V287 F304 L306 | V211-V224 WeakPolarHBondContact CA-O 3.41Å; L212-V224 HydrophobicContact CB-CB 4.4Å; L212-V224 PolarHBondContact N-O 2.79Å; L212-V224 PolarHBondContact O-N 2.8Å; V214-V224 HydrophobicContact CG2-CG2 4.09Å; L222-V224 HydrophobicContact CD2-CG2 3.7Å; L222-V224 HydrophobicContact CG-CG2 4.01Å; V224-I285 HydrophobicContact CG2-CD1 4.33Å; V224-V287 HydrophobicContact CG1-CG1 3.88Å; V224-V287 HydrophobicContact CG2-CG1 4.42Å; V224-F304 HydrophobicContact CB-CB 4.48Å; V224-F304 HydrophobicContact CG1-CB 4.34Å; V224-F304 HydrophobicContact CG2-CB 4.15Å; V224-L306 HydrophobicContact CG1-CB 3.9Å; V224-L306 HydrophobicContact CG1-CD1 4.47Å |
| 225 | R | 92.8 | Very high | 84.7 | Confident | 124 Ų | 124 | 51.9 Ų | 51.9 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.5 | 173.1 | -61.5 | -172.7 | -171.9 | -165.3 | 10.2 | 109.3 | P227 D303 F304 T305 L306 | R225-P227 WeakPolarHBondContact O-CD 3.2Å; R225-D303 IonicContact CZ-OD2 2.9Å; R225-D303 IonicContact NH2-OD1 3.57Å; R225-D303 IonicContact NH2-OD2 3.88Å; R225-D303 PolarHBondContact NH2-OD2 2.76Å; R225-F304 PolarHBondContact N-O 2.79Å; R225-T305 WeakPolarHBondContact O-CA 3.34Å; R225-L306 PolarHBondContact O-N 3.4Å |
| 226 | V | 93.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 103 | 179 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | F138 P209 G210 L212 P230 L231 I234 L306 | F138-V226 HydrophobicContact CE2-CG2 4.41Å; P209-V226 CarbonylContact C-O 3.56Å; P209-V226 WeakPolarHBondContact CA-O 3.45Å; G210-V226 PolarHBondContact N-O 2.9Å; G210-V226 PolarHBondContact O-N 3.05Å; L212-V226 HydrophobicContact CB-CG2 4.16Å; L212-V226 HydrophobicContact CD1-CG2 3.47Å; L212-V226 VanDerWaalsContact CD1-CG2 3.47Å; L212-V226 HydrophobicContact CG-CG2 3.54Å; V226-P230 HydrophobicContact CG1-CB 4.32Å; V226-L231 HydrophobicContact CG1-CB 3.83Å; V226-L231 HydrophobicContact CG1-CD1 4.29Å; V226-I234 HydrophobicContact CG1-CD1 4.2Å; V226-L306 HydrophobicContact CG1-CD2 3.93Å; V226-L306 HydrophobicContact CG2-CB 4.44Å; V226-L306 HydrophobicContact CG2-CD2 4.18Å |
| 227 | P | 89.2 | Confident | 84.6 | Confident | 40 Ų | 40 | 57 Ų | 57 | 26% | 0.26 | 30% | 0.295 | S | S | . | . | trans | -64.2 | 164.6 | 175.3 | -19.6 | 31.4 | 0 | 0 | 0 | 112.3 | R225 V229 P230 L231 T305 L306 | R225-P227 WeakPolarHBondContact O-CD 3.2Å; P227-V229 VanDerWaalsContact C-N 3.26Å; P227-V229 PolarHBondContact O-N 3.35Å; P227-V229 VanDerWaalsContact O-N 3.17Å; P227-P230 WeakPolarHBondContact O-CD 3.34Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 PolarHBondContact O-N 2.94Å; P227-L231 VanDerWaalsContact O-N 3.1Å; P227-T305 HydrophobicContact CG-CG2 3.42Å; P227-T305 VanDerWaalsContact CG-CG2 3.42Å; P227-L306 WeakPolarHBondContact CD-O 3.47Å | ||
| 228 | P | 86.2 | Confident | 85 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 10% | 0.104 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.5 | -33.5 | -176.5 | -25.8 | 33.9 | 0 | 0 | 0 | 114.7 | Y173 F206 Y207 P209 Q232 | Y173-P228 HydrophobicContact CE1-CG 4.44Å; F206-P228 HydrophobicContact CB-CB 3.92Å; F206-P228 HydrophobicContact CB-CG 4.31Å; F206-P228 HydrophobicContact CD1-CB 4.12Å; F206-P228 HydrophobicContact CG-CB 4.44Å; Y207-P228 VanDerWaalsContact O-CB 3.31Å; Y207-P228 WeakPolarHBondContact O-CB 3.41Å; Y207-P228 VanDerWaalsContact O-CG 3.27Å; Y207-P228 WeakPolarHBondContact O-CG 3.15Å; P209-P228 HydrophobicContact CG-CG 4.33Å; P228-Q232 WeakPolarHBondContact O-CB 3.32Å; P228-Q232 PolarHBondContact O-N 3.07Å |
| 229 | V | 85.3 | Confident | 85.9 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -71.4 | -53.5 | -176.5 | 172.7 | 0 | 0 | 0 | 0 | 112 | P227 L231 Q232 K233 | P227-V229 VanDerWaalsContact C-N 3.26Å; P227-V229 PolarHBondContact O-N 3.35Å; P227-V229 VanDerWaalsContact O-N 3.17Å; V229-L231 VanDerWaalsContact C-N 3.26Å; V229-L231 PolarHBondContact O-N 3.47Å; V229-Q232 PolarHBondContact O-N 3.22Å; V229-K233 PolarHBondContact O-N 2.84Å |
| 230 | P | 87 | Confident | 87 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.9 | -37.8 | 170.3 | -27.3 | 35.5 | 0 | 0 | 0 | 113.1 | V226 P227 Q232 K233 I234 L306 | V226-P230 HydrophobicContact CG1-CB 4.32Å; P227-P230 WeakPolarHBondContact O-CD 3.34Å; P230-Q232 PolarHBondContact O-N 3.28Å; P230-K233 WeakPolarHBondContact O-CB 3.42Å; P230-K233 PolarHBondContact O-N 2.94Å; P230-K233 VanDerWaalsContact O-N 3.13Å; P230-I234 WeakPolarHBondContact O-CG1 3.38Å; P230-I234 PolarHBondContact O-N 3.19Å; P230-L306 HydrophobicContact CB-CD2 3.99Å; P230-L306 HydrophobicContact CB-CG 4.36Å; P230-L306 WeakPolarHBondContact CG-O 3.34Å |
| 231 | L | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 179 | -173 | 50.9 | 0 | 0 | 0 | 112.3 | F138 F140 Y207 R208 V226 P227 V229 K233 I234 L235 | F138-L231 HydrophobicContact CE2-CD1 3.89Å; F138-L231 HydrophobicContact CZ-CD1 3.56Å; F138-L231 HydrophobicContact CZ-CD2 4.21Å; F140-L231 HydrophobicContact CD1-CD2 4.23Å; F140-L231 HydrophobicContact CE1-CD2 3.89Å; Y207-L231 HydrophobicContact CG-CD2 4.3Å; Y207-L231 HydrophobicContact CG-CG 4.26Å; R208-L231 WeakPolarHBondContact O-CD2 3.44Å; V226-L231 HydrophobicContact CG1-CB 3.83Å; V226-L231 HydrophobicContact CG1-CD1 4.29Å; P227-L231 WeakPolarHBondContact O-CB 3.44Å; P227-L231 PolarHBondContact O-N 2.94Å; P227-L231 VanDerWaalsContact O-N 3.1Å; V229-L231 VanDerWaalsContact C-N 3.26Å; V229-L231 PolarHBondContact O-N 3.47Å; L231-K233 VanDerWaalsContact C-N 3.26Å; L231-K233 PolarHBondContact O-N 3.09Å; L231-I234 PolarHBondContact O-N 3.03Å; L231-L235 HydrophobicContact CD1-CD1 4.02Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 HydrophobicContact CG-CD1 4.1Å; L231-L235 HydrophobicContact CG-CG 4.48Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.27Å |
| 232 | Q | 89.8 | Confident | 86.9 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 24% | 0.243 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 174.6 | -178.9 | 174.9 | -9.4 | 0 | 0 | 112.2 | Y207 P228 V229 P230 Q236 | Y207-Q232 HydrophobicContact CD2-CB 3.89Å; Y207-Q232 HydrophobicContact CE2-CB 3.85Å; Y207-Q232 HydrophobicContact CE2-CG 4.05Å; P228-Q232 WeakPolarHBondContact O-CB 3.32Å; P228-Q232 PolarHBondContact O-N 3.07Å; V229-Q232 PolarHBondContact O-N 3.22Å; P230-Q232 PolarHBondContact O-N 3.28Å; Q232-Q236 PolarHBondContact O-N 2.68Å; Q232-Q236 VanDerWaalsContact O-N 3.08Å |
| 233 | K | 88.4 | Confident | 85.8 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 175.9 | -67.5 | -179.3 | 176.3 | 179.3 | 0 | 111.9 | V229 P230 L231 Q236 D308 | V229-K233 PolarHBondContact O-N 2.84Å; P230-K233 WeakPolarHBondContact O-CB 3.42Å; P230-K233 PolarHBondContact O-N 2.94Å; P230-K233 VanDerWaalsContact O-N 3.13Å; L231-K233 VanDerWaalsContact C-N 3.26Å; L231-K233 PolarHBondContact O-N 3.09Å; K233-Q236 VanDerWaalsContact O-CG 3.24Å; K233-Q236 WeakPolarHBondContact O-CG 3.3Å; K233-Q236 PolarHBondContact O-N 2.89Å; K233-D308 IonicContact NZ-OD1 3.76Å; K233-D308 PolarHBondContact NZ-OD1 3.31Å |
| 234 | I | 88.3 | Confident | 84.2 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 179.2 | -67.8 | 165.2 | 0 | 0 | 0 | 110.5 | V226 P230 L231 Q236 K271 L275 L306 L309 | V226-I234 HydrophobicContact CG1-CD1 4.2Å; P230-I234 WeakPolarHBondContact O-CG1 3.38Å; P230-I234 PolarHBondContact O-N 3.19Å; L231-I234 PolarHBondContact O-N 3.03Å; I234-Q236 VanDerWaalsContact C-N 3.27Å; I234-Q236 PolarHBondContact O-N 3.23Å; I234-K271 WeakPolarHBondContact O-CB 3.23Å; I234-L275 HydrophobicContact CG2-CD2 4.12Å; I234-L306 HydrophobicContact CD1-CD2 3.79Å; I234-L309 HydrophobicContact CD1-CB 4.41Å; I234-L309 HydrophobicContact CD1-CD1 4Å; I234-L309 HydrophobicContact CG1-CB 4.35Å; I234-L309 HydrophobicContact CG1-CD1 4.37Å |
| 235 | L | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.6 | -17.3 | -177.7 | -61.7 | -179.4 | 0 | 0 | 0 | 113.2 | F140 L167 Y207 L231 A237 A268 L272 | F140-L235 HydrophobicContact CZ-CD1 4.5Å; L167-L235 HydrophobicContact CD2-CD1 4.39Å; L167-L235 HydrophobicContact CD2-CD2 4.43Å; Y207-L235 HydrophobicContact CD1-CD1 3.89Å; Y207-L235 HydrophobicContact CE1-CD1 3.47Å; Y207-L235 VanDerWaalsContact CE1-CD1 3.47Å; Y207-L235 HydrophobicContact CE2-CD1 4.25Å; Y207-L235 HydrophobicContact CG-CD1 4.4Å; L231-L235 HydrophobicContact CD1-CD1 4.02Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 HydrophobicContact CG-CD1 4.1Å; L231-L235 HydrophobicContact CG-CG 4.48Å; L231-L235 WeakPolarHBondContact O-CG 3.36Å; L231-L235 PolarHBondContact O-N 3.27Å; L235-A237 PolarHBondContact O-N 2.95Å; L235-A268 HydrophobicContact CB-CB 4.18Å; L235-A268 HydrophobicContact CD2-CB 4.33Å; L235-L272 HydrophobicContact CD2-CD1 3.72Å; L235-L272 HydrophobicContact CD2-CD2 3.89Å; L235-L272 HydrophobicContact CD2-CG 3.48Å; L235-L272 VanDerWaalsContact CD2-CG 3.48Å |
| 236 | Q | 87.2 | Confident | 79.3 | Confident | 122 Ų | 122 | 55.7 Ų | 55.7 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 28.1 | -175.9 | -60 | -171.1 | -6 | 0 | 0 | 113.5 | Q232 K233 I234 K271 | Q232-Q236 PolarHBondContact O-N 2.68Å; Q232-Q236 VanDerWaalsContact O-N 3.08Å; K233-Q236 VanDerWaalsContact O-CG 3.24Å; K233-Q236 WeakPolarHBondContact O-CG 3.3Å; K233-Q236 PolarHBondContact O-N 2.89Å; I234-Q236 VanDerWaalsContact C-N 3.27Å; I234-Q236 PolarHBondContact O-N 3.23Å; Q236-K271 HydrophobicContact CB-CG 4.48Å; Q236-K271 HydrophobicContact CG-CD 4.37Å; Q236-K271 HydrophobicContact CG-CG 4.46Å |
| 237 | A | 86.4 | Confident | 76.8 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -131.8 | 133.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y207 L235 L242 A268 | Y207-A237 WeakPolarHBondContact CE2-O 3.43Å; Y207-A237 PolarHBondContact OH-O 2.76Å; L235-A237 PolarHBondContact O-N 2.95Å; A237-L242 HydrophobicContact CB-CD1 4.25Å; A237-L242 HydrophobicContact CB-CD2 4.2Å; A237-L242 HydrophobicContact CB-CG 4.27Å; A237-A268 HydrophobicContact CB-CB 4.25Å |
| 238 | P | 85.3 | Confident | 74.3 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | trans | -69.9 | 140.4 | 171.6 | 28.8 | -33.8 | 0 | 0 | 0 | 110.3 | D240 R241 | P238-D240 PolarHBondContact O-N 3.45Å; P238-D240 VanDerWaalsContact O-N 3.16Å; P238-R241 HydrophobicContact CB-CG 4.45Å; P238-R241 HydrophobicContact CG-CB 3.94Å; P238-R241 HydrophobicContact CG-CG 3.44Å; P238-R241 VanDerWaalsContact CG-CG 3.44Å; P238-R241 PolarHBondContact O-N 3.07Å | ||
| 239 | P | 85.4 | Confident | 72.1 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -61.5 | -27.9 | -175.8 | 25.1 | -34 | 0 | 0 | 0 | 112.6 | T172 R205 Y207 R241 | T172-P239 HydrophobicContact CG2-CB 3.76Å; R205-P239 HydrophobicContact CB-CG 4.31Å; R205-P239 HydrophobicContact CG-CB 4.14Å; R205-P239 HydrophobicContact CG-CG 4.46Å; R205-P239 VanDerWaalsContact O-CG 3.23Å; R205-P239 WeakPolarHBondContact O-CG 3.36Å; Y207-P239 HydrophobicContact CD2-CB 4.01Å; Y207-P239 HydrophobicContact CD2-CG 4.42Å; Y207-P239 HydrophobicContact CE1-CB 4.39Å; Y207-P239 HydrophobicContact CE2-CB 3.84Å; Y207-P239 HydrophobicContact CE2-CG 4.27Å; Y207-P239 HydrophobicContact CG-CB 4.33Å; P239-R241 PolarHBondContact O-N 3.45Å |
| 240 | D | 81.7 | Confident | 70 | Confident | 87 Ų | 87 | 68.5 Ų | 68.5 | 47% | 0.465 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -64.3 | -21.4 | 176.6 | -56.1 | -54.2 | 0 | 0 | 0 | 114.2 | R205 P238 | R205-D240 WeakPolarHBondContact CB-OD1 3.44Å; R205-D240 WeakPolarHBondContact CD-OD1 3.28Å; R205-D240 IonicContact NE-OD1 2.92Å; P238-D240 PolarHBondContact O-N 3.45Å; P238-D240 VanDerWaalsContact O-N 3.16Å |
| 241 | R | 76.8 | Confident | 68.1 | Low | 142 Ų | 142 | 72.1 Ų | 72.1 | 54% | 0.536 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -99.3 | -5.4 | -173.2 | -60.4 | -66.5 | -177.5 | -177.7 | -1.1 | 114.1 | P238 P239 H264 | P238-R241 HydrophobicContact CB-CG 4.45Å; P238-R241 HydrophobicContact CG-CB 3.94Å; P238-R241 HydrophobicContact CG-CG 3.44Å; P238-R241 VanDerWaalsContact CG-CG 3.44Å; P238-R241 PolarHBondContact O-N 3.07Å; P239-R241 PolarHBondContact O-N 3.45Å; R241-H264 HydrophobicContact CB-CB 4.17Å |
| 242 | L | 72.1 | Confident | 65.8 | Low | 8 Ų | 8 | 79.6 Ų | 79.6 | 4% | 0.042 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -16.9 | -179.6 | -67.5 | -179.5 | 0 | 0 | 0 | 114.1 | I171 Y207 A237 H264 V265 A268 | I171-L242 HydrophobicContact CD1-CD1 4.19Å; Y207-L242 HydrophobicContact CE1-CD1 3.4Å; Y207-L242 VanDerWaalsContact CE1-CD1 3.4Å; Y207-L242 WeakPolarHBondContact OH-CD1 3.09Å; A237-L242 HydrophobicContact CB-CD1 4.25Å; A237-L242 HydrophobicContact CB-CD2 4.2Å; A237-L242 HydrophobicContact CB-CG 4.27Å; L242-H264 VanDerWaalsContact CD2-C 3.41Å; L242-H264 HydrophobicContact CD2-CB 3.89Å; L242-V265 HydrophobicContact CB-CG2 4.49Å; L242-V265 VanDerWaalsContact CD2-CA 3.41Å; L242-V265 HydrophobicContact CD2-CB 4.03Å; L242-V265 HydrophobicContact CD2-CG2 3.53Å; L242-V265 VanDerWaalsContact CD2-N 3.32Å; L242-A268 HydrophobicContact CD1-CB 4.43Å; L242-A268 HydrophobicContact CD2-CB 4.29Å |
| 243 | Q | 65.3 | Low | 63.5 | Low | 71 Ų | 71 | 80.8 Ų | 80.8 | 33% | 0.332 | 47% | 0.466 | S | S | . | . | trans | -73.8 | 133.6 | -178.6 | -156 | -172.4 | 10 | 0 | 0 | 111.2 | ||||
| 244 | R | 56.3 | Low | 61.4 | Low | 178 Ų | 178 | 80.7 Ų | 80.7 | 67% | 0.672 | 48% | 0.478 | S | S | * | . | trans | -79.3 | 117 | 158.4 | -139.2 | -177.4 | -65.1 | -153 | 0.6 | 106.6 | A246 | R244-A246 PolarHBondContact O-N 2.86Š| ||
| 245 | S | 43.1 | Very low | 59.3 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 49% | 0.49 | 51% | 0.51 | S | S | . | . | trans | -57 | 98.1 | 178.3 | -47.9 | 0 | 0 | 0 | 0 | 110 | G247 | S245-G247 PolarHBondContact O-N 2.86Š| ||
| 246 | A | 39 | Very low | 57.5 | Low | 103 Ų | 103 | 89.1 Ų | 89.1 | 85% | 0.851 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -87.6 | 18.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R244 | R244-A246 PolarHBondContact O-N 2.86Š|
| 247 | G | 41.4 | Very low | 55.6 | Low | 76 Ų | 76 | 86.6 Ų | 86.6 | 78% | 0.784 | 53% | 0.534 | S | S | * | . | trans | -167.5 | 31 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | S245 | S245-G247 PolarHBondContact O-N 2.86Š| ||
| 248 | S | 35.8 | Very low | 53.8 | Low | 66 Ų | 66 | 92.3 Ų | 92.3 | 46% | 0.462 | 57% | 0.571 | S | S | . | * | trans | -94.7 | 113.5 | 166.2 | 58.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 249 | D | 40 | Very low | 52.2 | Low | 136 Ų | 136 | 92.2 Ų | 92.2 | 73% | 0.727 | 58% | 0.578 | S | S | * | * | trans | -45.1 | 127.7 | 159.5 | -109.8 | -37.8 | 0 | 0 | 0 | 108.9 | A251 | D249-A251 PolarHBondContact O-N 3.1Š| ||
| 250 | P | 43.2 | Very low | 50.9 | Low | 129 Ų | 129 | 94.6 Ų | 94.6 | 84% | 0.838 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -0 | -172.3 | 23.1 | -31.5 | 0 | 0 | 0 | 114.5 | ||
| 251 | A | 46.3 | Very low | 49.8 | Very low | 86 Ų | 86 | 93.3 Ų | 93.3 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -15.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D249 | D249-A251 PolarHBondContact O-N 3.1Š|
| 252 | L | 41.6 | Very low | 49.1 | Very low | 157 Ų | 157 | 90.2 Ų | 90.2 | 82% | 0.822 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -129.3 | 13.4 | -168.8 | -108.2 | 96 | 0 | 0 | 0 | 117 | ||
| 253 | S | 41.5 | Very low | 49.4 | Very low | 78 Ų | 78 | 98.2 Ų | 98.2 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -138 | 135.3 | 174.3 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 254 | P | 44.5 | Very low | 50.3 | Low | 119 Ų | 119 | 97.2 Ų | 97.2 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 135 | 174 | 24.4 | -30.4 | 0 | 0 | 0 | 109.4 | ||
| 255 | P | 43.7 | Very low | 51.6 | Low | 119 Ų | 119 | 89.6 Ų | 89.6 | 77% | 0.773 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -61 | 128.6 | -177.2 | 22.4 | -31.5 | 0 | 0 | 0 | 110.1 | A257 | P255-A257 PolarHBondContact O-N 3.46Š|
| 256 | P | 50.6 | Low | 53.6 | Low | 75 Ų | 75 | 89.9 Ų | 89.9 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 136.9 | 173.1 | 25.2 | -31.1 | 0 | 0 | 0 | 109.1 | P258 | P256-P258 WeakPolarHBondContact O-CD 3.28Å; P256-P258 VanDerWaalsContact O-N 3.07Å |
| 257 | A | 47.4 | Very low | 55.9 | Low | 70 Ų | 70 | 87.5 Ų | 87.5 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 117.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P255 G259 S260 | P255-A257 PolarHBondContact O-N 3.46Å; A257-G259 PolarHBondContact O-N 2.67Å; A257-S260 PolarHBondContact O-N 3.36Å; A257-S260 VanDerWaalsContact O-N 3.15Å |
| 258 | P | 48.7 | Very low | 58.2 | Low | 122 Ų | 122 | 83.9 Ų | 83.9 | 79% | 0.792 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.5 | -166.7 | 18.9 | -30.2 | 0 | 0 | 0 | 114.7 | P256 | P256-P258 WeakPolarHBondContact O-CD 3.28Å; P256-P258 VanDerWaalsContact O-N 3.07Å |
| 259 | G | 51.9 | Low | 60.7 | Low | 43 Ų | 43 | 80.8 Ų | 80.8 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | A257 R263 | A257-G259 PolarHBondContact O-N 2.67Å; G259-R263 WeakPolarHBondContact O-CD 3.35Å; G259-R263 VanDerWaalsContact O-CG 3.32Å; G259-R263 WeakPolarHBondContact O-CG 3.48Å; G259-R263 PolarHBondContact O-NE 2.91Å |
| 260 | S | 57.8 | Low | 63.1 | Low | 52 Ų | 52 | 78.6 Ų | 78.6 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -89.9 | -40.3 | -171.1 | -173.5 | 0 | 0 | 0 | 0 | 113.8 | A257 R263 H264 | A257-S260 PolarHBondContact O-N 3.36Å; A257-S260 VanDerWaalsContact O-N 3.15Å; S260-R263 PolarHBondContact O-N 3.45Å; S260-H264 PolarHBondContact O-N 3.23Å; S260-H264 PolarHBondContact O-ND1 2.9Å |
| 261 | Q | 58.2 | Low | 65.3 | Low | 59 Ų | 59 | 76.1 Ų | 76.1 | 28% | 0.276 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | -179.9 | -70.1 | -178.9 | -10.5 | 0 | 0 | 112.2 | R263 H264 V265 | Q261-R263 PolarHBondContact O-N 2.88Å; Q261-H264 PolarHBondContact O-N 2.81Å; Q261-H264 VanDerWaalsContact O-N 3.15Å; Q261-V265 PolarHBondContact O-N 3.2Å |
| 262 | V | 63.8 | Low | 67.3 | Low | 77 Ų | 77 | 72.1 Ų | 72.1 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.5 | -36.8 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | Q266 | V262-Q266 HydrophobicContact CG1-CG 4.45Å; V262-Q266 WeakPolarHBondContact O-CB 3.43Å; V262-Q266 WeakPolarHBondContact O-CG 3.4Å; V262-Q266 PolarHBondContact O-N 2.83Å; V262-Q266 VanDerWaalsContact O-N 3.09Å |
| 263 | R | 78 | Confident | 69.6 | Low | 177 Ų | 177 | 68.3 Ų | 68.3 | 67% | 0.668 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67 | -40.6 | 178.2 | -70.1 | 175 | -177.1 | -166.6 | 0.1 | 112.7 | G259 S260 Q261 Q266 V267 | G259-R263 WeakPolarHBondContact O-CD 3.35Å; G259-R263 VanDerWaalsContact O-CG 3.32Å; G259-R263 WeakPolarHBondContact O-CG 3.48Å; G259-R263 PolarHBondContact O-NE 2.91Å; S260-R263 PolarHBondContact O-N 3.45Å; Q261-R263 PolarHBondContact O-N 2.88Å; R263-Q266 PolarHBondContact O-N 3.18Å; R263-V267 VanDerWaalsContact O-CG2 3.23Å; R263-V267 WeakPolarHBondContact O-CG2 3.02Å; R263-V267 PolarHBondContact O-N 3.32Å |
| 264 | H | 82.6 | Confident | 71.8 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.5 | -41.7 | -178.1 | -67.4 | 84.4 | 0 | 0 | 0 | 112 | R241 L242 S260 Q261 Q266 V267 A268 | R241-H264 HydrophobicContact CB-CB 4.17Å; L242-H264 VanDerWaalsContact CD2-C 3.41Å; L242-H264 HydrophobicContact CD2-CB 3.89Å; S260-H264 PolarHBondContact O-N 3.23Å; S260-H264 PolarHBondContact O-ND1 2.9Å; Q261-H264 PolarHBondContact O-N 2.81Å; Q261-H264 VanDerWaalsContact O-N 3.15Å; H264-Q266 VanDerWaalsContact C-N 3.3Å; H264-Q266 PolarHBondContact O-N 2.73Å; H264-V267 PolarHBondContact O-N 3.49Å; H264-A268 WeakPolarHBondContact O-CB 3.41Å; H264-A268 PolarHBondContact O-N 3.4Å |
| 265 | V | 84.5 | Confident | 73.9 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | L164 L167 L242 Q261 A269 | L164-V265 HydrophobicContact CD2-CG1 3.78Å; L167-V265 HydrophobicContact CB-CG1 4.08Å; L242-V265 HydrophobicContact CB-CG2 4.49Å; L242-V265 VanDerWaalsContact CD2-CA 3.41Å; L242-V265 HydrophobicContact CD2-CB 4.03Å; L242-V265 HydrophobicContact CD2-CG2 3.53Å; L242-V265 VanDerWaalsContact CD2-N 3.32Å; Q261-V265 PolarHBondContact O-N 3.2Å; V265-A269 WeakPolarHBondContact O-CB 3.17Å; V265-A269 PolarHBondContact O-N 2.78Å |
| 266 | Q | 85.3 | Confident | 76 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 174.4 | -76 | 171.3 | -8.6 | 0 | 0 | 112.6 | L164 V262 R263 H264 A269 E270 | L164-Q266 HydrophobicContact CD2-CG 4.43Å; V262-Q266 HydrophobicContact CG1-CG 4.45Å; V262-Q266 WeakPolarHBondContact O-CB 3.43Å; V262-Q266 WeakPolarHBondContact O-CG 3.4Å; V262-Q266 PolarHBondContact O-N 2.83Å; V262-Q266 VanDerWaalsContact O-N 3.09Å; R263-Q266 PolarHBondContact O-N 3.18Å; H264-Q266 VanDerWaalsContact C-N 3.3Å; H264-Q266 PolarHBondContact O-N 2.73Å; Q266-A269 PolarHBondContact O-N 3.19Å; Q266-E270 WeakPolarHBondContact O-CB 3.47Å; Q266-E270 VanDerWaalsContact O-CG 3.32Å; Q266-E270 WeakPolarHBondContact O-CG 3.4Å; Q266-E270 PolarHBondContact O-N 2.98Å |
| 267 | V | 87.9 | Confident | 77.6 | Confident | 54 Ų | 54 | 55.4 Ų | 55.4 | 33% | 0.327 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | R263 H264 A269 E270 K271 | R263-V267 VanDerWaalsContact O-CG2 3.23Å; R263-V267 WeakPolarHBondContact O-CG2 3.02Å; R263-V267 PolarHBondContact O-N 3.32Å; H264-V267 PolarHBondContact O-N 3.49Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 3Å; V267-E270 PolarHBondContact O-N 3.16Å; V267-K271 VanDerWaalsContact O-CG 3.31Å; V267-K271 WeakPolarHBondContact O-CG 3.4Å; V267-K271 PolarHBondContact O-N 3.42Å |
| 268 | A | 88.6 | Confident | 78.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L167 L235 A237 L242 H264 K271 L272 | L167-A268 HydrophobicContact CD1-CB 3.86Å; L167-A268 HydrophobicContact CD2-CB 4.23Å; L235-A268 HydrophobicContact CB-CB 4.18Å; L235-A268 HydrophobicContact CD2-CB 4.33Å; A237-A268 HydrophobicContact CB-CB 4.25Å; L242-A268 HydrophobicContact CD1-CB 4.43Å; L242-A268 HydrophobicContact CD2-CB 4.29Å; H264-A268 WeakPolarHBondContact O-CB 3.41Å; H264-A268 PolarHBondContact O-N 3.4Å; A268-K271 PolarHBondContact O-N 2.99Å; A268-L272 PolarHBondContact O-N 3.01Å |
| 269 | A | 89.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L163 L164 L167 V265 Q266 V267 K271 L272 Q273 | L163-A269 HydrophobicContact CB-CB 4.27Å; L164-A269 HydrophobicContact CD2-CB 3.68Å; L164-A269 HydrophobicContact CG-CB 4.19Å; L167-A269 VanDerWaalsContact CD1-CA 3.45Å; L167-A269 HydrophobicContact CD1-CB 3.68Å; L167-A269 VanDerWaalsContact CD1-N 3.27Å; V265-A269 WeakPolarHBondContact O-CB 3.17Å; V265-A269 PolarHBondContact O-N 2.78Å; Q266-A269 PolarHBondContact O-N 3.19Å; V267-A269 VanDerWaalsContact C-N 3.32Å; V267-A269 PolarHBondContact O-N 3Å; A269-K271 VanDerWaalsContact C-N 3.33Å; A269-K271 PolarHBondContact O-N 3.24Å; A269-L272 PolarHBondContact O-N 3.47Å; A269-Q273 WeakPolarHBondContact O-CB 3.29Å; A269-Q273 PolarHBondContact O-N 3.3Å |
| 270 | E | 89.6 | Confident | 81.1 | Confident | 90 Ų | 90 | 60 Ų | 60 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.3 | -75.5 | 171.1 | -173.6 | 0 | 0 | 111.9 | R160 Q266 V267 Q273 A274 | R160-E270 IonicContact CZ-OE1 3.74Å; R160-E270 IonicContact NH1-OE1 3.71Å; R160-E270 IonicContact NH2-OE1 3.18Å; R160-E270 PolarHBondContact NH2-OE1 3.02Å; Q266-E270 WeakPolarHBondContact O-CB 3.47Å; Q266-E270 VanDerWaalsContact O-CG 3.32Å; Q266-E270 WeakPolarHBondContact O-CG 3.4Å; Q266-E270 PolarHBondContact O-N 2.98Å; V267-E270 PolarHBondContact O-N 3.16Å; E270-Q273 PolarHBondContact O-N 3Å; E270-A274 VanDerWaalsContact O-CB 3.3Å; E270-A274 WeakPolarHBondContact O-CB 3.33Å; E270-A274 PolarHBondContact O-N 3.47Å |
| 271 | K | 89.8 | Confident | 82.2 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 177 | -64.9 | -68.8 | 165.7 | 171.6 | 0 | 112.4 | I234 Q236 V267 A268 A269 Q273 A274 L275 | I234-K271 WeakPolarHBondContact O-CB 3.23Å; Q236-K271 HydrophobicContact CB-CG 4.48Å; Q236-K271 HydrophobicContact CG-CD 4.37Å; Q236-K271 HydrophobicContact CG-CG 4.46Å; V267-K271 VanDerWaalsContact O-CG 3.31Å; V267-K271 WeakPolarHBondContact O-CG 3.4Å; V267-K271 PolarHBondContact O-N 3.42Å; A268-K271 PolarHBondContact O-N 2.99Å; A269-K271 VanDerWaalsContact C-N 3.33Å; A269-K271 PolarHBondContact O-N 3.24Å; K271-Q273 VanDerWaalsContact C-N 3.32Å; K271-A274 PolarHBondContact O-N 3.18Å; K271-L275 WeakPolarHBondContact O-CB 3.39Å; K271-L275 PolarHBondContact O-N 2.92Å |
| 272 | L | 88.7 | Confident | 83.5 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 172.7 | -79.1 | 175.4 | 0 | 0 | 0 | 111.5 | F138 L154 L163 L167 L235 A268 A269 A274 L275 L276 | F138-L272 HydrophobicContact CD1-CD2 3.96Å; F138-L272 HydrophobicContact CE1-CD2 4.35Å; F138-L272 HydrophobicContact CG-CD2 4.22Å; L154-L272 HydrophobicContact CD1-CD1 4.19Å; L163-L272 HydrophobicContact CD2-CB 4.46Å; L167-L272 HydrophobicContact CD1-CD1 4.19Å; L167-L272 HydrophobicContact CD2-CD1 3.92Å; L167-L272 HydrophobicContact CG-CD1 4.19Å; L235-L272 HydrophobicContact CD2-CD1 3.72Å; L235-L272 HydrophobicContact CD2-CD2 3.89Å; L235-L272 HydrophobicContact CD2-CG 3.48Å; L235-L272 VanDerWaalsContact CD2-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.01Å; A269-L272 PolarHBondContact O-N 3.47Å; L272-A274 PolarHBondContact O-N 3.24Å; L272-L275 PolarHBondContact O-N 3.35Å; L272-L276 WeakPolarHBondContact O-CB 3.28Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.24Å; L272-L276 PolarHBondContact O-N 2.92Å |
| 273 | Q | 89.3 | Confident | 84.7 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.8 | -169 | 174 | 10.4 | 0 | 0 | 111.1 | L163 A269 E270 K271 L275 L276 A277 | L163-Q273 HydrophobicContact CD1-CB 3.62Å; L163-Q273 HydrophobicContact CD1-CG 4.1Å; A269-Q273 WeakPolarHBondContact O-CB 3.29Å; A269-Q273 PolarHBondContact O-N 3.3Å; E270-Q273 PolarHBondContact O-N 3Å; K271-Q273 VanDerWaalsContact C-N 3.32Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 3.17Å; Q273-L276 CarbonylContact O-C 3.5Å; Q273-L276 PolarHBondContact O-N 2.84Å; Q273-A277 WeakPolarHBondContact O-CA 3.44Å; Q273-A277 WeakPolarHBondContact O-CB 3.27Å; Q273-A277 PolarHBondContact O-N 3.13Å |
| 274 | A | 88.1 | Confident | 85.2 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 51% | 0.512 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | E270 K271 L272 | E270-A274 VanDerWaalsContact O-CB 3.3Å; E270-A274 WeakPolarHBondContact O-CB 3.33Å; E270-A274 PolarHBondContact O-N 3.47Å; K271-A274 PolarHBondContact O-N 3.18Å; L272-A274 PolarHBondContact O-N 3.24Å |
| 275 | L | 88.1 | Confident | 85.6 | Confident | 17 Ų | 17 | 51.8 Ų | 51.8 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 175.9 | -173.1 | 66 | 0 | 0 | 0 | 112.3 | V135 L212 I234 K271 L272 Q273 V283 L309 | V135-L275 HydrophobicContact CB-CD1 4.48Å; V135-L275 HydrophobicContact CB-CG 4.28Å; V135-L275 HydrophobicContact CG1-CD2 4.41Å; V135-L275 HydrophobicContact CG1-CG 4.22Å; V135-L275 HydrophobicContact CG2-CD1 3.86Å; V135-L275 HydrophobicContact CG2-CG 4.12Å; L212-L275 HydrophobicContact CD2-CD2 4.22Å; I234-L275 HydrophobicContact CG2-CD2 4.12Å; K271-L275 WeakPolarHBondContact O-CB 3.39Å; K271-L275 PolarHBondContact O-N 2.92Å; L272-L275 PolarHBondContact O-N 3.35Å; Q273-L275 VanDerWaalsContact C-N 3.27Å; Q273-L275 PolarHBondContact O-N 3.17Å; L275-V283 HydrophobicContact CD1-CG1 4.41Å; L275-L309 HydrophobicContact CD1-CD1 4.21Å; L275-L309 HydrophobicContact CD1-CD2 4.2Å |
| 276 | L | 88.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -95 | -9.3 | -175.4 | -63 | 172.4 | 0 | 0 | 0 | 113.9 | V135 L154 G156 L272 Q273 | V135-L276 HydrophobicContact CG1-CD2 3.8Å; L154-L276 HydrophobicContact CB-CD1 3.88Å; G156-L276 WeakPolarHBondContact CA-O 3.16Å; L272-L276 WeakPolarHBondContact O-CB 3.28Å; L272-L276 VanDerWaalsContact O-CG 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.24Å; L272-L276 PolarHBondContact O-N 2.92Å; Q273-L276 CarbonylContact O-C 3.5Å; Q273-L276 PolarHBondContact O-N 2.84Å |
| 277 | A | 82.8 | Confident | 86 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 151.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q273 P279 R280 | Q273-A277 WeakPolarHBondContact O-CA 3.44Å; Q273-A277 WeakPolarHBondContact O-CB 3.27Å; Q273-A277 PolarHBondContact O-N 3.13Å; A277-P279 CarbonylContact O-C 3.59Å; A277-R280 WeakPolarHBondContact O-CA 3.27Å; A277-R280 PolarHBondContact O-N 2.88Å |
| 278 | L | 73.3 | Confident | 86 | Confident | 123 Ų | 123 | 50.3 Ų | 50.3 | 64% | 0.644 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -95.4 | 141.3 | 172 | -66.6 | 173.7 | 0 | 0 | 0 | 111.3 | R280 | L278-R280 HydrophobicContact CD2-CG 3.99Š|
| 279 | P | 71.6 | Confident | 85.8 | Confident | 116 Ų | 116 | 50.3 Ų | 50.3 | 75% | 0.753 | 26% | 0.256 | S | S | * | . | S | Bend | cis | -68.4 | 143.2 | -7.8 | 30 | -34.6 | 0 | 0 | 0 | 111.5 | A277 K281 | A277-P279 CarbonylContact O-C 3.59Å; P279-K281 PolarHBondContact O-N 2.81Å; P279-K281 VanDerWaalsContact O-N 3.14Å |
| 280 | R | 76.6 | Confident | 85.4 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 34% | 0.343 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 117.7 | -176.8 | -69.3 | -178.5 | 172.2 | 145.2 | -6 | 110.3 | Q134 V135 L136 A277 L278 | Q134-R280 HydrophobicContact CB-CB 4.24Å; Q134-R280 HydrophobicContact CG-CB 4.3Å; Q134-R280 PolarHBondContact NE2-O 2.92Å; V135-R280 WeakPolarHBondContact O-CD 3.33Å; V135-R280 PolarHBondContact O-NE 2.98Å; L136-R280 PolarHBondContact O-NH2 2.81Å; A277-R280 WeakPolarHBondContact O-CA 3.27Å; A277-R280 PolarHBondContact O-N 2.88Å; L278-R280 HydrophobicContact CD2-CG 3.99Å |
| 281 | K | 80.8 | Confident | 84.9 | Confident | 105 Ų | 105 | 52.4 Ų | 52.4 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 143.8 | 174.8 | -64.4 | -177.1 | 179.8 | 176.5 | 0 | 109.6 | P279 | P279-K281 PolarHBondContact O-N 2.81Å; P279-K281 VanDerWaalsContact O-N 3.14Å |
| 282 | W | 86.1 | Confident | 84.2 | Confident | 99 Ų | 99 | 53.2 Ų | 53.2 | 38% | 0.375 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.3 | 167.2 | -70.2 | 89.4 | 0 | 0 | 0 | 108.9 | R132 V133 Q134 R217 | R132-W282 HydrophobicContact CB-CE3 4.3Å; R132-W282 WeakPolarHBondContact O-CZ3 3.42Å; V133-W282 WeakPolarHBondContact O-CA 3.38Å; Q134-W282 HydrophobicContact CG-CD2 3.82Å; Q134-W282 HydrophobicContact CG-CE3 4.09Å; Q134-W282 HydrophobicContact CG-CG 4.26Å; Q134-W282 HydrophobicContact CG-CH2 4.3Å; Q134-W282 HydrophobicContact CG-CZ2 4.07Å; Q134-W282 HydrophobicContact CG-CZ3 4.32Å; R217-W282 HydrophobicContact CB-CH2 4.31Å; R217-W282 HydrophobicContact CG-CH2 3.47Å; R217-W282 VanDerWaalsContact CG-CH2 3.47Å; R217-W282 HydrophobicContact CG-CZ2 4.02Å; R217-W282 HydrophobicContact CG-CZ3 4.18Å |
| 283 | V | 88.3 | Confident | 83.5 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 151.1 | 175.7 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | R132 V133 V135 L275 I285 | R132-V283 WeakPolarHBondContact CA-O 3.3Å; V133-V283 HydrophobicContact CG2-CG2 4.02Å; V133-V283 PolarHBondContact N-O 3.45Å; V133-V283 WeakPolarHBondContact O-CG2 3.35Å; V133-V283 PolarHBondContact O-N 2.91Å; V135-V283 HydrophobicContact CG2-CG2 3.73Å; L275-V283 HydrophobicContact CD1-CG1 4.41Å; V283-I285 HydrophobicContact CG2-CG2 4.18Å |
| 284 | V | 89.4 | Confident | 82.8 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 123.1 | 171.6 | -173.4 | 0 | 0 | 0 | 0 | 107.7 | E130 L131 R132 Q310 | E130-V284 HydrophobicContact CB-CG1 4.27Å; E130-V284 HydrophobicContact CG-CG1 4.4Å; L131-V284 WeakPolarHBondContact O-CA 3.47Å; R132-V284 HydrophobicContact CG-CG2 4.19Å; V284-Q310 HydrophobicContact CB-CB 4.3Å; V284-Q310 PolarHBondContact O-N 3.46Å |
| 285 | I | 90.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.7 | 173.1 | 60.9 | 172.5 | 0 | 0 | 0 | 109.9 | E130 L131 V133 V214 V224 V283 V287 L306 L309 | E130-I285 CarbonylContact C-O 3.46Å; E130-I285 WeakPolarHBondContact CA-O 3.43Å; L131-I285 HydrophobicContact CB-CG1 4Å; L131-I285 PolarHBondContact N-O 3.33Å; L131-I285 PolarHBondContact O-N 3.49Å; V133-I285 HydrophobicContact CG1-CD1 4.37Å; V133-I285 HydrophobicContact CG2-CD1 3.68Å; V133-I285 HydrophobicContact CG2-CG1 3.84Å; V133-I285 HydrophobicContact CG2-CG2 4.29Å; V214-I285 HydrophobicContact CG2-CD1 4.37Å; V224-I285 HydrophobicContact CG2-CD1 4.33Å; V283-I285 HydrophobicContact CG2-CG2 4.18Å; I285-V287 HydrophobicContact CB-CG1 4.38Å; I285-V287 HydrophobicContact CD1-CG1 3.58Å; I285-V287 HydrophobicContact CG1-CG1 3.93Å; I285-L306 HydrophobicContact CB-CD1 3.75Å; I285-L306 HydrophobicContact CG2-CD1 3.97Å; I285-L309 HydrophobicContact CG2-CB 4.32Å; I285-L309 HydrophobicContact CG2-CD1 3.87Å; I285-L309 HydrophobicContact CG2-CG 3.86Å |
| 286 | T | 90 | Very high | 80.7 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 13% | 0.129 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.6 | 167.4 | -47.3 | 0 | 0 | 0 | 0 | 107.4 | V129 E130 L307 D308 | V129-T286 WeakPolarHBondContact O-CA 3.34Å; E130-T286 HydrophobicContact CG-CG2 4.34Å; T286-L307 HydrophobicContact CG2-CB 4.33Å; T286-L307 HydrophobicContact CG2-CD1 4.37Å; T286-L307 PolarHBondContact O-N 3.24Å; T286-D308 PolarHBondContact N-O 3.47Å; T286-D308 PolarHBondContact O-N 3.23Å |
| 287 | V | 89.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 151.1 | 178.6 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | E128 V129 L131 V224 I285 F304 T305 L306 | E128-V287 WeakPolarHBondContact CA-O 3.41Å; V129-V287 HydrophobicContact CG1-CG2 3.51Å; V129-V287 PolarHBondContact N-O 2.88Å; V129-V287 PolarHBondContact O-N 3.32Å; L131-V287 HydrophobicContact CD1-CG2 3.54Å; L131-V287 HydrophobicContact CG-CG2 4.06Å; V224-V287 HydrophobicContact CG1-CG1 3.88Å; V224-V287 HydrophobicContact CG2-CG1 4.42Å; I285-V287 HydrophobicContact CB-CG1 4.38Å; I285-V287 HydrophobicContact CD1-CG1 3.58Å; I285-V287 HydrophobicContact CG1-CG1 3.93Å; V287-F304 HydrophobicContact CG2-CD1 4.3Å; V287-T305 CarbonylContact C-O 3.6Å; V287-T305 WeakPolarHBondContact CA-O 3.44Å; V287-L306 HydrophobicContact CG1-CD1 4.26Å |
| 288 | R | 86.3 | Confident | 79 | Confident | 95 Ų | 95 | 65.4 Ų | 65.4 | 36% | 0.358 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118 | 167.6 | -167.5 | 175.9 | 58.5 | -176.5 | -0.8 | 108.8 | G127 E128 H290 T305 L307 | G127-R288 CarbonylContact O-C 3.6Å; G127-R288 WeakPolarHBondContact O-CA 3.47Å; E128-R288 HydrophobicContact CG-CB 4.38Å; E128-R288 HydrophobicContact CG-CG 4.11Å; R288-H290 WeakPolarHBondContact CD-NE2 2.98Å; R288-H290 VanDerWaalsContact CG-NE2 3.29Å; R288-H290 WeakPolarHBondContact CG-NE2 3.28Å; R288-H290 PolarHBondContact NE-NE2 2.9Å; R288-T305 PolarHBondContact N-O 3.09Å; R288-T305 PolarHBondContact O-N 3.05Å; R288-L307 HydrophobicContact CB-CD1 3.96Å; R288-L307 HydrophobicContact CB-CD2 4.2Å; R288-L307 HydrophobicContact CB-CG 4.06Å |
| 289 | S | 84.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.9 | 176.5 | -169.8 | 0 | 0 | 0 | 0 | 110.9 | Y125 S126 G127 Q302 D303 F304 | Y125-S289 WeakPolarHBondContact O-CB 3.44Å; Y125-S289 PolarHBondContact O-OG 3.5Å; S126-S289 PolarHBondContact OG-O 3.35Å; G127-S289 PolarHBondContact N-O 3.08Å; G127-S289 PolarHBondContact O-N 2.97Å; S289-Q302 WeakPolarHBondContact OG-CG 3.27Å; S289-Q302 PolarHBondContact OG-NE2 3.28Å; S289-D303 WeakPolarHBondContact CA-O 3.31Å; S289-F304 VanDerWaalsContact OG-CE1 3.29Å; S289-F304 WeakPolarHBondContact OG-CE1 3.46Å |
| 290 | H | 80.9 | Confident | 79.3 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 37% | 0.366 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141.9 | 174.6 | -70.1 | -73.9 | 0 | 0 | 0 | 110.5 | R288 Q302 D303 | R288-H290 WeakPolarHBondContact CD-NE2 2.98Å; R288-H290 VanDerWaalsContact CG-NE2 3.29Å; R288-H290 WeakPolarHBondContact CG-NE2 3.28Å; R288-H290 PolarHBondContact NE-NE2 2.9Å; H290-Q302 CarbonylContact O-C 3.56Å; H290-Q302 WeakPolarHBondContact O-CA 3.16Å; H290-D303 PolarHBondContact N-O 2.88Å; H290-D303 PolarHBondContact O-N 2.94Å |
| 291 | F | 79.5 | Confident | 79.5 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.1 | 170.2 | -69.1 | -81.5 | 0 | 0 | 0 | 110.9 | K124 P299 S301 Q302 | K124-F291 VanDerWaalsContact C-CZ 3.41Å; K124-F291 HydrophobicContact CB-CE1 4.17Å; K124-F291 HydrophobicContact CB-CE2 4.35Å; K124-F291 HydrophobicContact CB-CZ 3.58Å; K124-F291 HydrophobicContact CG-CZ 4.39Å; K124-F291 WeakPolarHBondContact O-CE2 3.31Å; K124-F291 WeakPolarHBondContact O-CZ 3.44Å; F291-P299 HydrophobicContact CB-CB 4.27Å; F291-P299 HydrophobicContact CD1-CB 3.58Å; F291-P299 HydrophobicContact CE1-CB 4.32Å; F291-P299 HydrophobicContact CG-CB 4.15Å; F291-S301 WeakPolarHBondContact CA-O 3.31Å; F291-Q302 HydrophobicContact CD1-CB 3.97Å; F291-Q302 HydrophobicContact CD1-CG 4.05Å; F291-Q302 HydrophobicContact CE1-CB 3.69Å; F291-Q302 HydrophobicContact CE1-CG 3.6Å; F291-Q302 HydrophobicContact CE2-CG 4.35Å; F291-Q302 HydrophobicContact CZ-CB 4.34Å; F291-Q302 HydrophobicContact CZ-CG 3.74Å |
| 292 | L | 74 | Confident | 79.6 | Confident | 95 Ų | 95 | 56.5 Ų | 56.5 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 113.9 | 158.6 | -169 | 88.2 | 0 | 0 | 0 | 106.8 | L300 S301 | L292-L300 HydrophobicContact CD2-CB 4.29Å; L292-L300 HydrophobicContact CD2-CD1 4.19Å; L292-L300 WeakPolarHBondContact O-CB 3.45Å; L292-L300 PolarHBondContact O-N 3.28Å; L292-S301 WeakPolarHBondContact CB-OG 3.27Å; L292-S301 PolarHBondContact N-O 2.81Å; L292-S301 PolarHBondContact O-N 2.72Å |
| 293 | C | 74.4 | Confident | 79.6 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 28% | 0.284 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 153.2 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | V298 | C293-V298 CarbonylContact C-O 3.4Å; C293-V298 WeakPolarHBondContact CA-O 3.18Å |
| 294 | D | 75.4 | Confident | 79.7 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | trans | -74 | -174.5 | 165.2 | 77.1 | -2 | 0 | 0 | 0 | 112 | N296 S297 V298 L300 | D294-N296 PolarHBondContact O-N 3.39Å; D294-N296 WeakPolarHBondContact OD1-CA 3.45Å; D294-N296 WeakPolarHBondContact OD1-CB 3.48Å; D294-N296 PolarHBondContact OD1-N 3.15Å; D294-S297 PolarHBondContact O-N 2.86Å; D294-S297 VanDerWaalsContact O-N 3.14Å; D294-S297 PolarHBondContact OD1-N 2.9Å; D294-S297 VanDerWaalsContact OD1-N 3.17Å; D294-V298 PolarHBondContact N-O 2.96Å; D294-V298 WeakPolarHBondContact OD1-CB 3.21Å; D294-V298 PolarHBondContact OD1-N 2.92Å; D294-L300 HydrophobicContact CB-CD1 4.02Å; D294-L300 HydrophobicContact CB-CD2 4.19Å; D294-L300 HydrophobicContact CB-CG 4.14Å | ||
| 295 | Q | 64.1 | Low | 79.7 | Confident | 159 Ų | 159 | 54.1 Ų | 54.1 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.7 | 179.3 | -64.5 | 179 | 9 | 0 | 0 | 113.4 | ||
| 296 | N | 67.7 | Low | 79.8 | Confident | 115 Ų | 115 | 54.1 Ų | 54.1 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 12.6 | -179.8 | -59 | -46.1 | 0 | 0 | 0 | 112.3 | D294 V298 | D294-N296 PolarHBondContact O-N 3.39Å; D294-N296 WeakPolarHBondContact OD1-CA 3.45Å; D294-N296 WeakPolarHBondContact OD1-CB 3.48Å; D294-N296 PolarHBondContact OD1-N 3.15Å; N296-V298 HydrophobicContact CB-CG2 4.2Å; N296-V298 PolarHBondContact O-N 3.18Å |
| 297 | S | 65.7 | Low | 79.7 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 63.2 | 21.5 | -175.1 | -61.1 | 0 | 0 | 0 | 0 | 114.1 | K24 D294 | K24-S297 PolarHBondContact NZ-OG 2.84Å; D294-S297 PolarHBondContact O-N 2.86Å; D294-S297 VanDerWaalsContact O-N 3.14Å; D294-S297 PolarHBondContact OD1-N 2.9Å; D294-S297 VanDerWaalsContact OD1-N 3.17Å |
| 298 | V | 71.1 | Confident | 79.6 | Confident | 68 Ų | 68 | 58 Ų | 58 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | trans | -81.4 | 124.5 | 172.9 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | C293 D294 N296 L300 | C293-V298 CarbonylContact C-O 3.4Å; C293-V298 WeakPolarHBondContact CA-O 3.18Å; D294-V298 PolarHBondContact N-O 2.96Å; D294-V298 WeakPolarHBondContact OD1-CB 3.21Å; D294-V298 PolarHBondContact OD1-N 2.92Å; N296-V298 HydrophobicContact CB-CG2 4.2Å; N296-V298 PolarHBondContact O-N 3.18Å; V298-L300 PolarHBondContact O-N 2.84Å | ||
| 299 | P | 71.2 | Confident | 79.6 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 31% | 0.312 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 120.2 | 178.8 | 26.8 | -32.8 | 0 | 0 | 0 | 110.9 | F291 | F291-P299 HydrophobicContact CB-CB 4.27Å; F291-P299 HydrophobicContact CD1-CB 3.58Å; F291-P299 HydrophobicContact CE1-CB 4.32Å; F291-P299 HydrophobicContact CG-CB 4.15Å |
| 300 | L | 77.9 | Confident | 79.5 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 59% | 0.592 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -44.4 | 175.8 | -62.7 | 175.1 | 0 | 0 | 0 | 111.3 | L292 D294 V298 | L292-L300 HydrophobicContact CD2-CB 4.29Å; L292-L300 HydrophobicContact CD2-CD1 4.19Å; L292-L300 WeakPolarHBondContact O-CB 3.45Å; L292-L300 PolarHBondContact O-N 3.28Å; D294-L300 HydrophobicContact CB-CD1 4.02Å; D294-L300 HydrophobicContact CB-CD2 4.19Å; D294-L300 HydrophobicContact CB-CG 4.14Å; V298-L300 PolarHBondContact O-N 2.84Å |
| 301 | S | 80.8 | Confident | 78.7 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 162.2 | 177.9 | 67.1 | 0 | 0 | 0 | 0 | 110.9 | F291 L292 | F291-S301 WeakPolarHBondContact CA-O 3.31Å; L292-S301 WeakPolarHBondContact CB-OG 3.27Å; L292-S301 PolarHBondContact N-O 2.81Å; L292-S301 PolarHBondContact O-N 2.72Å |
| 302 | Q | 83.6 | Confident | 77.5 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 117.2 | 174.8 | -167 | 177.3 | 6.6 | 0 | 0 | 108.1 | Y125 S289 H290 F291 F304 | Y125-Q302 PolarHBondContact O-NE2 3.01Å; S289-Q302 WeakPolarHBondContact OG-CG 3.27Å; S289-Q302 PolarHBondContact OG-NE2 3.28Å; H290-Q302 CarbonylContact O-C 3.56Å; H290-Q302 WeakPolarHBondContact O-CA 3.16Å; F291-Q302 HydrophobicContact CD1-CB 3.97Å; F291-Q302 HydrophobicContact CD1-CG 4.05Å; F291-Q302 HydrophobicContact CE1-CB 3.69Å; F291-Q302 HydrophobicContact CE1-CG 3.6Å; F291-Q302 HydrophobicContact CE2-CG 4.35Å; F291-Q302 HydrophobicContact CZ-CB 4.34Å; F291-Q302 HydrophobicContact CZ-CG 3.74Å; Q302-F304 HydrophobicContact CB-CE2 4.04Å; Q302-F304 HydrophobicContact CB-CZ 4.17Å; Q302-F304 HydrophobicContact CG-CE1 4.18Å; Q302-F304 HydrophobicContact CG-CE2 3.82Å; Q302-F304 HydrophobicContact CG-CZ 3.53Å; Q302-F304 WeakPolarHBondContact O-CE2 3.4Å |
| 303 | D | 86.3 | Confident | 76.2 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.3 | 178.8 | -84.4 | -13.9 | 0 | 0 | 0 | 109.9 | R225 S289 H290 | R225-D303 IonicContact CZ-OD2 2.9Å; R225-D303 IonicContact NH2-OD1 3.57Å; R225-D303 IonicContact NH2-OD2 3.88Å; R225-D303 PolarHBondContact NH2-OD2 2.76Å; S289-D303 WeakPolarHBondContact CA-O 3.31Å; H290-D303 PolarHBondContact N-O 2.88Å; H290-D303 PolarHBondContact O-N 2.94Å |
| 304 | F | 89.8 | Confident | 74.5 | Confident | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.035 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126 | 178.6 | -58.8 | -90.5 | 0 | 0 | 0 | 109.7 | L120 L121 L222 V224 R225 V287 S289 Q302 | L120-F304 HydrophobicContact CD2-CD1 4.23Å; L120-F304 HydrophobicContact CD2-CE1 3.51Å; L120-F304 HydrophobicContact CD2-CZ 4.33Å; L120-F304 HydrophobicContact CG-CE1 4.34Å; L121-F304 HydrophobicContact CD2-CE2 4.46Å; L121-F304 HydrophobicContact CD2-CZ 3.95Å; L222-F304 HydrophobicContact CD1-CD1 4.43Å; L222-F304 HydrophobicContact CD1-CD2 3.29Å; L222-F304 HydrophobicContact CD1-CE1 4.35Å; L222-F304 HydrophobicContact CD1-CE2 3.19Å; L222-F304 HydrophobicContact CD1-CG 3.94Å; L222-F304 HydrophobicContact CD1-CZ 3.74Å; L222-F304 HydrophobicContact CD2-CB 4.46Å; L222-F304 HydrophobicContact CD2-CD1 4.09Å; L222-F304 HydrophobicContact CD2-CD2 4.22Å; L222-F304 HydrophobicContact CD2-CE1 4.41Å; L222-F304 HydrophobicContact CD2-CG 3.98Å; L222-F304 HydrophobicContact CG-CD2 4.07Å; L222-F304 HydrophobicContact CG-CE2 4.35Å; L222-F304 HydrophobicContact CG-CG 4.3Å; V224-F304 HydrophobicContact CB-CB 4.48Å; V224-F304 HydrophobicContact CG1-CB 4.34Å; V224-F304 HydrophobicContact CG2-CB 4.15Å; R225-F304 PolarHBondContact N-O 2.79Å; V287-F304 HydrophobicContact CG2-CD1 4.3Å; S289-F304 VanDerWaalsContact OG-CE1 3.29Å; S289-F304 WeakPolarHBondContact OG-CE1 3.46Å; Q302-F304 HydrophobicContact CB-CE2 4.04Å; Q302-F304 HydrophobicContact CB-CZ 4.17Å; Q302-F304 HydrophobicContact CG-CE1 4.18Å; Q302-F304 HydrophobicContact CG-CE2 3.82Å; Q302-F304 HydrophobicContact CG-CZ 3.53Å; Q302-F304 WeakPolarHBondContact O-CE2 3.4Å |
| 305 | T | 89.9 | Confident | 74.4 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 15% | 0.153 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.9 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | R225 P227 V287 R288 L307 | R225-T305 WeakPolarHBondContact O-CA 3.34Å; P227-T305 HydrophobicContact CG-CG2 3.42Å; P227-T305 VanDerWaalsContact CG-CG2 3.42Å; V287-T305 CarbonylContact C-O 3.6Å; V287-T305 WeakPolarHBondContact CA-O 3.44Å; R288-T305 PolarHBondContact N-O 3.09Å; R288-T305 PolarHBondContact O-N 3.05Å; T305-L307 PolarHBondContact O-N 3.3Å |
| 306 | L | 92.6 | Very high | 75 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 130.8 | 174.9 | -168.8 | 71.7 | 0 | 0 | 0 | 110.3 | L212 V224 R225 V226 P227 P230 I234 I285 V287 D308 L309 | L212-L306 HydrophobicContact CD1-CD2 4.13Å; V224-L306 HydrophobicContact CG1-CB 3.9Å; V224-L306 HydrophobicContact CG1-CD1 4.47Å; R225-L306 PolarHBondContact O-N 3.4Å; V226-L306 HydrophobicContact CG1-CD2 3.93Å; V226-L306 HydrophobicContact CG2-CB 4.44Å; V226-L306 HydrophobicContact CG2-CD2 4.18Å; P227-L306 WeakPolarHBondContact CD-O 3.47Å; P230-L306 HydrophobicContact CB-CD2 3.99Å; P230-L306 HydrophobicContact CB-CG 4.36Å; P230-L306 WeakPolarHBondContact CG-O 3.34Å; I234-L306 HydrophobicContact CD1-CD2 3.79Å; I285-L306 HydrophobicContact CB-CD1 3.75Å; I285-L306 HydrophobicContact CG2-CD1 3.97Å; V287-L306 HydrophobicContact CG1-CD1 4.26Å; L306-D308 WeakPolarHBondContact CD1-O 3.39Å; L306-L309 HydrophobicContact CD2-CB 4.25Å; L306-L309 HydrophobicContact CD2-CD1 4.44Å |
| 307 | L | 87.8 | Confident | 75.4 | Confident | 50 Ų | 50 | 65 Ų | 65 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -43.5 | 171.7 | -60.8 | -176 | 0 | 0 | 0 | 111.3 | E128 T286 R288 T305 | E128-L307 HydrophobicContact CB-CD1 4.4Å; E128-L307 VanDerWaalsContact CD-CD1 3.5Å; E128-L307 HydrophobicContact CG-CD1 3.69Å; E128-L307 WeakPolarHBondContact OE1-CD1 3.49Å; T286-L307 HydrophobicContact CG2-CB 4.33Å; T286-L307 HydrophobicContact CG2-CD1 4.37Å; T286-L307 PolarHBondContact O-N 3.24Å; R288-L307 HydrophobicContact CB-CD1 3.96Å; R288-L307 HydrophobicContact CB-CD2 4.2Å; R288-L307 HydrophobicContact CB-CG 4.06Å; T305-L307 PolarHBondContact O-N 3.3Å |
| 308 | D | 87.6 | Confident | 75.9 | Confident | 53 Ų | 53 | 67.6 Ų | 67.6 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 155.3 | 179.3 | -153.2 | 46.1 | 0 | 0 | 0 | 111.3 | K233 T286 L306 | K233-D308 IonicContact NZ-OD1 3.76Å; K233-D308 PolarHBondContact NZ-OD1 3.31Å; T286-D308 PolarHBondContact N-O 3.47Å; T286-D308 PolarHBondContact O-N 3.23Å; L306-D308 WeakPolarHBondContact CD1-O 3.39Å |
| 309 | L | 87.3 | Confident | 76.3 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 117.9 | 178.6 | -174.5 | 152.7 | 0 | 0 | 0 | 108.8 | L212 I234 L275 I285 L306 V311 | L212-L309 HydrophobicContact CD1-CD1 4.27Å; I234-L309 HydrophobicContact CD1-CB 4.41Å; I234-L309 HydrophobicContact CD1-CD1 4Å; I234-L309 HydrophobicContact CG1-CB 4.35Å; I234-L309 HydrophobicContact CG1-CD1 4.37Å; L275-L309 HydrophobicContact CD1-CD1 4.21Å; L275-L309 HydrophobicContact CD1-CD2 4.2Å; I285-L309 HydrophobicContact CG2-CB 4.32Å; I285-L309 HydrophobicContact CG2-CD1 3.87Å; I285-L309 HydrophobicContact CG2-CG 3.86Å; L306-L309 HydrophobicContact CD2-CB 4.25Å; L306-L309 HydrophobicContact CD2-CD1 4.44Å; L309-V311 HydrophobicContact CD2-CB 4.32Å; L309-V311 HydrophobicContact CD2-CG2 3.21Å |
| 310 | Q | 81.4 | Confident | 76.6 | Confident | 95 Ų | 95 | 68.9 Ų | 68.9 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 102.4 | 175.3 | -59.3 | 178.3 | 19.2 | 0 | 0 | 108.2 | V284 | V284-Q310 HydrophobicContact CB-CB 4.3Å; V284-Q310 PolarHBondContact O-N 3.46Å |
| 311 | V | 65.3 | Low | 76.5 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 49% | 0.485 | 36% | 0.358 | S | S | . | . | trans | -78.1 | 127.3 | 168.3 | -170.2 | 0 | 0 | 0 | 0 | 106.8 | L309 T313 | L309-V311 HydrophobicContact CD2-CB 4.32Å; L309-V311 HydrophobicContact CD2-CG2 3.21Å; V311-T313 PolarHBondContact O-N 3.44Å | ||
| 312 | P | 54 | Low | 76.2 | Confident | 68 Ų | 68 | 67 Ų | 67 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | trans | -58.8 | 111.4 | 170.8 | -4.2 | 10.2 | 0 | 0 | 0 | 108.5 | Q314 | P312-Q314 PolarHBondContact O-N 3.1Š| ||
| 313 | T | 45.9 | Very low | 75.6 | Confident | 142 Ų | 142 | 69.5 Ų | 69.5 | 87% | 0.871 | 37% | 0.374 | S | S | * | . | trans | -59.5 | 120.7 | 168.4 | 1 | 0 | 0 | 0 | 0 | 107.5 | V311 | V311-T313 PolarHBondContact O-N 3.44Š| ||
| 314 | Q | 39 | Very low | 74.6 | Confident | 233 Ų | 233 | 70.7 Ų | 70.7 | 100% | 1.089 | 38% | 0.381 | S | S | * | . | trans | -68 | 0 | 163.9 | -89.7 | -175 | -29.3 | 0 | 0 | 110.1 | P312 | P312-Q314 PolarHBondContact O-N 3.1Š|
Retrieved 314 of 314 residues in 543.7 ms
(Link to these results)