| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 29.6 | Very low | 38.4 | Very low | 243 Ų | 243 | 153.3 Ų | 153.3 | 100% | 1.197 | 84% | 0.838 | S | S | * | * | 0 | 144.7 | 0 | -82.5 | -175 | 169.6 | 0 | 0 | 108 | |||||
| 2 | P | 44.3 | Very low | 38.6 | Very low | 135 Ų | 135 | 158.3 Ų | 158.3 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | -85.7 | 166.4 | -110.2 | 26.8 | -7.5 | 0 | 0 | 0 | 112.9 | |||||
| 3 | G | 32 | Very low | 39.7 | Very low | 72 Ų | 72 | 156.5 Ų | 156.5 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | 160.3 | 137.7 | 82.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 4 | F | 37.3 | Very low | 40.3 | Very low | 223 Ų | 223 | 156.9 Ų | 156.9 | 98% | 0.978 | 83% | 0.826 | S | S | * | * | trans | -26.3 | 150.4 | 164.6 | -86.5 | -109 | 0 | 0 | 0 | 118.2 | ||||
| 5 | G | 33.3 | Very low | 40.7 | Very low | 72 Ų | 72 | 157.2 Ų | 157.2 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | trans | 152.7 | 76.4 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 6 | R | 39.1 | Very low | 41 | Very low | 234 Ų | 234 | 158.3 Ų | 158.3 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | 29 | 139.7 | 141.9 | -84.7 | -177.7 | 167.1 | -168 | -3.3 | 122.2 | ||||
| 7 | W | 37.8 | Very low | 41.3 | Very low | 211 Ų | 211 | 152.6 Ų | 152.6 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | 98.2 | 107.1 | 136.9 | -124.1 | -14 | 0 | 0 | 0 | 117.5 | ||||
| 8 | N | 36.7 | Very low | 41.8 | Very low | 143 Ų | 143 | 152.3 Ų | 152.3 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | -178.4 | 151.9 | 107.5 | -99.3 | -26.8 | 0 | 0 | 0 | 113.2 | |||||
| 9 | N | 45.7 | Very low | 41.8 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -62.4 | 135.7 | 179.3 | -62.9 | -51.2 | 0 | 0 | 0 | 112.9 | ||||
| 10 | A | 42 | Very low | 41.8 | Very low | 85 Ų | 85 | 155.2 Ų | 155.2 | 70% | 0.702 | 82% | 0.817 | S | S | * | * | trans | -160.9 | 99.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 11 | T | 44.9 | Very low | 41.9 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | 58.5 | 139.8 | 98.5 | 48.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 12 | W | 40.7 | Very low | 42.5 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | 100 | 82.6 | 163.5 | -59.1 | 93.7 | 0 | 0 | 0 | 117.4 | ||||
| 13 | I | 52 | Low | 42.1 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | 28.7 | 112.7 | 112.9 | -55.6 | 163.6 | 0 | 0 | 0 | 113.5 | |||||
| 14 | L | 48.1 | Very low | 42.4 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -175.7 | 143.3 | 137.2 | -99.2 | 147.5 | 0 | 0 | 0 | 109.6 | ||||
| 15 | L | 47.3 | Very low | 42.2 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | 94.3 | 52.1 | 169.8 | -55.4 | 157.6 | 0 | 0 | 0 | 117.3 | ||||
| 16 | L | 44.3 | Very low | 42.5 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -104.4 | 78.6 | 135.6 | -86.7 | 157.3 | 0 | 0 | 0 | 107 | I18 | L16-I18 PolarHBondContact O-N 3.14Å; L16-I18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | G | 46.3 | Very low | 42.5 | Very low | 62 Ų | 62 | 143.5 Ų | 143.5 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | trans | -59.7 | 113.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | F19 | G17-F19 PolarHBondContact O-N 3.14Š| ||
| 18 | I | 50.8 | Low | 42.9 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -56.7 | 94.3 | 175.1 | -63.3 | 158 | 0 | 0 | 0 | 108.3 | L16 H20 | L16-I18 PolarHBondContact O-N 3.14Å; L16-I18 VanDerWaalsContact O-N 3.14Å; I18-H20 HydrophobicContact CG2-CB 3.81Å; I18-H20 PolarHBondContact O-N 2.91Å; I18-H20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | F | 42.1 | Very low | 43.7 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | trans | -78.5 | 75.1 | 150.4 | -88.3 | -87.9 | 0 | 0 | 0 | 106.7 | G17 S21 | G17-F19 PolarHBondContact O-N 3.14Å; F19-S21 PolarHBondContact O-N 2.96Å | ||
| 20 | H | 41 | Very low | 45.2 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -67.5 | 91.7 | 151.3 | -114.2 | 47 | 0 | 0 | 0 | 104.8 | I18 C22 | I18-H20 HydrophobicContact CG2-CB 3.81Å; I18-H20 PolarHBondContact O-N 2.91Å; I18-H20 VanDerWaalsContact O-N 3.14Å; H20-C22 PolarHBondContact O-N 2.81Å | ||
| 21 | S | 45.4 | Very low | 47.5 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 52% | 0.517 | 71% | 0.714 | S | S | . | * | trans | -54.4 | 97.4 | 157.8 | -55.4 | 0 | 0 | 0 | 0 | 105.7 | F19 F23 | F19-S21 PolarHBondContact O-N 2.96Å; S21-F23 WeakPolarHBondContact O-CD2 3.48Å; S21-F23 PolarHBondContact O-N 2.81Å | ||
| 22 | C | 40.5 | Very low | 49.8 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 78% | 0.784 | 70% | 0.698 | S | S | * | * | trans | -58.6 | 94.5 | 155 | -98.1 | 0 | 0 | 0 | 0 | 104.4 | H20 S24 | H20-C22 PolarHBondContact O-N 2.81Å; C22-S24 PolarHBondContact O-N 2.8Å | ||
| 23 | F | 37.2 | Very low | 52.3 | Low | 177 Ų | 177 | 123.4 Ų | 123.4 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | -63.7 | 86.2 | 155 | -69.3 | -82.2 | 0 | 0 | 0 | 104.9 | S21 S25 | S21-F23 WeakPolarHBondContact O-CD2 3.48Å; S21-F23 PolarHBondContact O-N 2.81Å; F23-S25 PolarHBondContact O-N 3.3Å | ||
| 24 | S | 37.2 | Very low | 54.4 | Low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | trans | -64.4 | 86.6 | 152.4 | 56.1 | 0 | 0 | 0 | 0 | 105 | C22 Y26 | C22-S24 PolarHBondContact O-N 2.8Å; S24-Y26 PolarHBondContact O-N 2.96Å | ||
| 25 | S | 34.3 | Very low | 56.4 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | trans | -62.4 | 93.1 | 160.1 | -65.6 | 0 | 0 | 0 | 0 | 105.1 | F23 S27 | F23-S25 PolarHBondContact O-N 3.3Å; S25-S27 PolarHBondContact O-N 2.84Å | ||
| 26 | Y | 38.6 | Very low | 58.5 | Low | 221 Ų | 221 | 112.3 Ų | 112.3 | 87% | 0.867 | 60% | 0.602 | S | S | * | * | trans | -50.4 | 112.5 | 167.7 | -171.4 | -102.9 | 0 | 0 | 0 | 105.6 | S24 E28 | S24-Y26 PolarHBondContact O-N 2.96Å; Y26-E28 PolarHBondContact O-N 2.87Å | ||
| 27 | S | 38.8 | Very low | 60.6 | Low | 90 Ų | 90 | 104 Ų | 104 | 63% | 0.629 | 56% | 0.558 | S | S | * | * | trans | -62.4 | 99.2 | -169.3 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | S25 D29 | S25-S27 PolarHBondContact O-N 2.84Å; S27-D29 PolarHBondContact O-N 3.37Å | ||
| 28 | E | 46.8 | Very low | 62.5 | Low | 171 Ų | 171 | 106.5 Ų | 106.5 | 80% | 0.799 | 56% | 0.557 | S | S | * | * | trans | -65.2 | 86.5 | 166.9 | -169.8 | 176.8 | -150.4 | 0 | 0 | 106.4 | Y26 Q30 | Y26-E28 PolarHBondContact O-N 2.87Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 VanDerWaalsContact O-CG 3.24Å; E28-Q30 WeakPolarHBondContact O-CG 3.42Å; E28-Q30 PolarHBondContact O-N 3.24Å | ||
| 29 | D | 54.7 | Low | 64 | Low | 101 Ų | 101 | 104.4 Ų | 104.4 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | trans | 28.8 | 62.2 | 141.4 | -91.7 | -14 | 0 | 0 | 0 | 115 | S27 C31 R73 | S27-D29 PolarHBondContact O-N 3.37Å; D29-C31 VanDerWaalsContact C-N 3.27Å; D29-C31 PolarHBondContact O-N 2.83Å; D29-R73 VanDerWaalsContact CG-CZ 3.43Å; D29-R73 IonicContact OD1-CZ 3.28Å; D29-R73 IonicContact OD1-NH1 3.6Å; D29-R73 PolarHBondContact OD1-NH1 2.83Å; D29-R73 IonicContact OD1-NH2 2.77Å; D29-R73 PolarHBondContact OD1-NH2 3.41Å; D29-R73 IonicContact OD2-CZ 3.47Å; D29-R73 IonicContact OD2-NH1 2.78Å; D29-R73 PolarHBondContact OD2-NH1 2.97Å; D29-R73 IonicContact OD2-NH2 2.68Å; D29-R73 PolarHBondContact OD2-NH2 3.1Å; D29-R73 VanDerWaalsContact OD2-NH2 3.17Å | ||
| 30 | Q | 76.4 | Confident | 65.8 | Low | 104 Ų | 104 | 95.8 Ų | 95.8 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | trans | -73.9 | 82 | -173.8 | -64.9 | -179.1 | 16.3 | 0 | 0 | 109.5 | E28 L50 | E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 VanDerWaalsContact O-CG 3.24Å; E28-Q30 WeakPolarHBondContact O-CG 3.42Å; E28-Q30 PolarHBondContact O-N 3.24Å; Q30-L50 HydrophobicContact CB-CD2 4.25Å; Q30-L50 WeakPolarHBondContact O-CD2 3.39Å | ||
| 31 | C | 89.8 | Confident | 67.6 | Low | 38 Ų | 38 | 95.6 Ų | 95.6 | 26% | 0.257 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -68.7 | -28.9 | 166.3 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | D29 C52 G55 R73 Y158 | D29-C31 VanDerWaalsContact C-N 3.27Å; D29-C31 PolarHBondContact O-N 2.83Å; C31-C52 WeakPolarHBondContact CA-SG 3.45Å; C31-C52 HydrophobicContact CB-CB 3.57Å; C31-C52 WeakPolarHBondContact CB-SG 3.42Å; C31-C52 WeakPolarHBondContact SG-CB 3.39Å; C31-C52 CovalentContact SG-SG 2.02Å; C31-C52 PolarHBondContact SG-SG 3.35Å; C31-G55 WeakPolarHBondContact O-CA 3.32Å; C31-R73 PolarHBondContact SG-NH2 3.03Å; C31-Y158 VanDerWaalsContact O-CE1 3.26Å; C31-Y158 WeakPolarHBondContact O-CE1 3.07Å; C31-Y158 PolarHBondContact O-OH 2.95Å |
| 32 | S | 93.3 | Very high | 69 | Low | 57 Ų | 57 | 100 Ų | 100 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -121 | 146.3 | 179.7 | -70.9 | 0 | 0 | 0 | 0 | 110.9 | T56 | S32-T56 CarbonylContact C-O 3.47Å; S32-T56 WeakPolarHBondContact CA-O 3.1Å; S32-T56 VanDerWaalsContact CB-OG1 3.28Å; S32-T56 WeakPolarHBondContact CB-OG1 3.22Å; S32-T56 PolarHBondContact OG-N 2.81Å; S32-T56 PolarHBondContact OG-OG1 2.91Å |
| 33 | W | 94.4 | Very high | 70.7 | Confident | 27 Ų | 27 | 98.5 Ų | 98.5 | 10% | 0.102 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.4 | 172.9 | -179.5 | 94.4 | 0 | 0 | 0 | 110.4 | G35 I48 L50 T56 L57 D58 W59 L66 | W33-G35 VanDerWaalsContact CH2-CA 3.45Å; W33-I48 HydrophobicContact CB-CG2 4.08Å; W33-I48 HydrophobicContact CD2-CD1 3.57Å; W33-I48 HydrophobicContact CD2-CG1 4.4Å; W33-I48 VanDerWaalsContact CE2-CD1 3.41Å; W33-I48 HydrophobicContact CE3-CD1 3.97Å; W33-I48 HydrophobicContact CG-CD1 4.02Å; W33-I48 HydrophobicContact CG-CG1 4.46Å; W33-I48 HydrophobicContact CG-CG2 3.93Å; W33-I48 HydrophobicContact CH2-CD1 3.97Å; W33-I48 HydrophobicContact CZ2-CD1 3.63Å; W33-I48 HydrophobicContact CZ2-CG1 4.42Å; W33-I48 HydrophobicContact CZ3-CD1 4.15Å; W33-L50 HydrophobicContact CB-CD2 4.05Å; W33-T56 PolarHBondContact N-O 3.09Å; W33-L57 HydrophobicContact CE3-CD1 4.39Å; W33-L57 HydrophobicContact CE3-CD2 4.29Å; W33-L57 HydrophobicContact CE3-CG 3.9Å; W33-L57 HydrophobicContact CZ3-CD2 4.32Å; W33-L57 HydrophobicContact CZ3-CG 4.4Å; W33-L57 CarbonylContact O-C 3.41Å; W33-L57 WeakPolarHBondContact O-CA 3.34Å; W33-D58 PolarHBondContact O-N 3.46Å; W33-W59 AromaticContact CH2-CD1 3.8Å; W33-W59 HydrophobicContact CH2-CG 4.35Å; W33-W59 HydrophobicContact CZ3-CB 3.97Å; W33-W59 AromaticContact CZ3-CD1 3.98Å; W33-W59 HydrophobicContact CZ3-CG 4.16Å; W33-L66 HydrophobicContact CH2-CD1 3.73Å; W33-L66 HydrophobicContact CH2-CD2 4.2Å; W33-L66 HydrophobicContact CZ3-CD1 3.74Å |
| 34 | R | 94.2 | Very high | 72.9 | Confident | 176 Ų | 176 | 91.8 Ų | 91.8 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 127.5 | 172.6 | -179.5 | 171.6 | 178 | 165.6 | -2.2 | 109.2 | D58 | R34-D58 VanDerWaalsContact CA-O 3.32Å; R34-D58 WeakPolarHBondContact CA-O 3.27Å; R34-D58 HydrophobicContact CB-CB 4.14Å; R34-D58 HydrophobicContact CG-CB 3.95Å |
| 35 | G | 92 | Very high | 75.5 | Confident | 18 Ų | 18 | 90 Ų | 90 | 19% | 0.186 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 175.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W33 D58 L60 | W33-G35 VanDerWaalsContact CH2-CA 3.45Å; G35-D58 PolarHBondContact N-O 2.72Å; G35-L60 PolarHBondContact O-N 3.09Å |
| 36 | S | 91.3 | Very high | 78.3 | Confident | 33 Ų | 33 | 88.4 Ų | 88.4 | 23% | 0.231 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.1 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | L38 S39 L60 | S36-L38 PolarHBondContact O-N 2.6Å; S36-L38 PolarHBondContact OG-N 3.2Å; S36-S39 PolarHBondContact O-N 2.73Å; S36-S39 PolarHBondContact O-OG 3.43Å; S36-L60 CarbonylContact C-O 3.5Å; S36-L60 VanDerWaalsContact CA-O 3.23Å; S36-L60 WeakPolarHBondContact CA-O 3.5Å |
| 37 | G | 88.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -68.8 | -16 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S39 Q40 L60 Y61 K63 | G37-S39 VanDerWaalsContact C-N 3.27Å; G37-S39 PolarHBondContact O-N 2.77Å; G37-Q40 WeakPolarHBondContact O-CB 3.39Å; G37-Q40 PolarHBondContact O-N 2.96Å; G37-Q40 VanDerWaalsContact O-N 3.11Å; G37-L60 PolarHBondContact N-O 3.28Å; G37-Y61 VanDerWaalsContact CA-O 3.23Å; G37-Y61 WeakPolarHBondContact CA-O 3.36Å; G37-Y61 PolarHBondContact N-O 2.78Å; G37-K63 WeakPolarHBondContact O-CB 3.49Å |
| 38 | L | 85.3 | Confident | 83.5 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 60% | 0.602 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -67.5 | -27.1 | 178.7 | -61 | 178.6 | 0 | 0 | 0 | 113.2 | S36 Q40 Y61 | S36-L38 PolarHBondContact O-N 2.6Å; S36-L38 PolarHBondContact OG-N 3.2Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Y61 HydrophobicContact CD1-CD1 4.27Å; L38-Y61 HydrophobicContact CD1-CD2 3.95Å; L38-Y61 HydrophobicContact CD1-CE2 4.49Å; L38-Y61 HydrophobicContact CD1-CG 3.83Å; L38-Y61 HydrophobicContact CG-CD2 4.39Å; L38-Y61 HydrophobicContact CG-CG 4.03Å |
| 39 | S | 81.9 | Confident | 85.6 | Confident | 102 Ų | 102 | 75.6 Ų | 75.6 | 71% | 0.713 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -83.3 | -7.2 | 174.7 | 43.2 | 0 | 0 | 0 | 0 | 113.4 | S36 G37 | S36-S39 PolarHBondContact O-N 2.73Å; S36-S39 PolarHBondContact O-OG 3.43Å; G37-S39 VanDerWaalsContact C-N 3.27Å; G37-S39 PolarHBondContact O-N 2.77Å |
| 40 | Q | 79.7 | Confident | 87.4 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 8% | 0.079 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -83.6 | 136.4 | -174.1 | -169.1 | 166.6 | -5.1 | 0 | 0 | 111.5 | G37 L38 S44 K63 A65 | G37-Q40 WeakPolarHBondContact O-CB 3.39Å; G37-Q40 PolarHBondContact O-N 2.96Å; G37-Q40 VanDerWaalsContact O-N 3.11Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; Q40-S44 WeakPolarHBondContact CG-OG 3.36Å; Q40-S44 PolarHBondContact NE2-O 3.02Å; Q40-K63 PolarHBondContact OE1-O 3.07Å; Q40-A65 PolarHBondContact NE2-O 3.22Å |
| 41 | Q | 79.5 | Confident | 88.1 | Confident | 159 Ų | 159 | 70.7 Ų | 70.7 | 74% | 0.743 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 140 | 174.6 | -70.5 | -171.9 | -38.7 | 0 | 0 | 110.5 | G43 S44 | Q41-G43 PolarHBondContact O-N 2.79Å; Q41-S44 WeakPolarHBondContact O-CB 3.48Å; Q41-S44 PolarHBondContact O-N 2.81Å; Q41-S44 VanDerWaalsContact O-N 3.12Å; Q41-S44 PolarHBondContact O-OG 2.81Å |
| 42 | Q | 73.9 | Confident | 88 | Confident | 168 Ų | 168 | 69 Ų | 69 | 79% | 0.785 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 132.1 | 177.2 | -82.8 | 177.2 | -18.5 | 0 | 0 | 110.9 | S44 | Q42-S44 PolarHBondContact O-N 2.89Š|
| 43 | G | 77.6 | Confident | 87.7 | Confident | 83 Ų | 83 | 69.4 Ų | 69.4 | 86% | 0.856 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 1.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q41 | Q41-G43 PolarHBondContact O-N 2.79Š|
| 44 | S | 83.6 | Confident | 87.5 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 25% | 0.252 | 39% | 0.394 | S | S | . | . | trans | -83.8 | 152.1 | 175.4 | 69.5 | 0 | 0 | 0 | 0 | 112 | Q40 Q41 Q42 | Q40-S44 WeakPolarHBondContact CG-OG 3.36Å; Q40-S44 PolarHBondContact NE2-O 3.02Å; Q41-S44 WeakPolarHBondContact O-CB 3.48Å; Q41-S44 PolarHBondContact O-N 2.81Å; Q41-S44 VanDerWaalsContact O-N 3.12Å; Q41-S44 PolarHBondContact O-OG 2.81Å; Q42-S44 PolarHBondContact O-N 2.89Å | ||
| 45 | V | 91.5 | Very high | 87.4 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 116.2 | 167.9 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | A65 R67 F140 | V45-A65 WeakPolarHBondContact CA-O 3.2Å; V45-A65 HydrophobicContact CG1-CB 4.37Å; V45-A65 HydrophobicContact CG2-CB 4.24Å; V45-R67 HydrophobicContact CG1-CB 3.89Å; V45-F140 HydrophobicContact CG1-CE2 3.83Å; V45-F140 HydrophobicContact CG2-CE2 4.35Å |
| 46 | E | 92.3 | Very high | 87.6 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.1 | 176.8 | -172.4 | 178.5 | 170.3 | 0 | 0 | 109.6 | A65 L66 R67 | E46-A65 PolarHBondContact N-O 2.68Å; E46-L66 HydrophobicContact CB-CD2 3.71Å; E46-L66 HydrophobicContact CG-CD2 4.45Å; E46-L66 CarbonylContact O-C 3.55Å; E46-L66 WeakPolarHBondContact O-CA 3.36Å; E46-R67 PolarHBondContact O-N 3.4Å |
| 47 | Q | 92.6 | Very high | 87.8 | Confident | 142 Ų | 142 | 62.9 Ų | 62.9 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.8 | 179.7 | -63.8 | -164.7 | -8.4 | 0 | 0 | 110.6 | R67 | Q47-R67 WeakPolarHBondContact CA-O 3.09Å |
| 48 | I | 93.3 | Very high | 88.1 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.9 | -178.6 | -58.3 | 164 | 0 | 0 | 0 | 107.8 | W33 L50 L66 R67 L68 T69 | W33-I48 HydrophobicContact CB-CG2 4.08Å; W33-I48 HydrophobicContact CD2-CD1 3.57Å; W33-I48 HydrophobicContact CD2-CG1 4.4Å; W33-I48 VanDerWaalsContact CE2-CD1 3.41Å; W33-I48 HydrophobicContact CE3-CD1 3.97Å; W33-I48 HydrophobicContact CG-CD1 4.02Å; W33-I48 HydrophobicContact CG-CG1 4.46Å; W33-I48 HydrophobicContact CG-CG2 3.93Å; W33-I48 HydrophobicContact CH2-CD1 3.97Å; W33-I48 HydrophobicContact CZ2-CD1 3.63Å; W33-I48 HydrophobicContact CZ2-CG1 4.42Å; W33-I48 HydrophobicContact CZ3-CD1 4.15Å; I48-L50 HydrophobicContact CG2-CD2 3.86Å; I48-L50 HydrophobicContact CG2-CG 4.12Å; I48-L66 HydrophobicContact CD1-CB 4.17Å; I48-L66 HydrophobicContact CD1-CD1 3.87Å; I48-L66 HydrophobicContact CD1-CD2 4.19Å; I48-L66 HydrophobicContact CD1-CG 4.31Å; I48-R67 PolarHBondContact N-O 3.27Å; I48-L68 HydrophobicContact CB-CD1 4Å; I48-L68 HydrophobicContact CG2-CD1 3.69Å; I48-L68 CarbonylContact O-C 3.52Å; I48-L68 WeakPolarHBondContact O-CA 3.36Å; I48-T69 PolarHBondContact O-N 2.86Å |
| 49 | S | 92.7 | Very high | 88.6 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.5 | 177 | -64.5 | 0 | 0 | 0 | 0 | 110.3 | H51 T69 | S49-H51 PolarHBondContact O-ND1 3.12Å; S49-T69 WeakPolarHBondContact CA-O 3.2Å |
| 50 | L | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 132.8 | 179.3 | -50.9 | 177.5 | 0 | 0 | 0 | 109.7 | Q30 W33 I48 L68 T69 L70 T71 Y158 | Q30-L50 HydrophobicContact CB-CD2 4.25Å; Q30-L50 WeakPolarHBondContact O-CD2 3.39Å; W33-L50 HydrophobicContact CB-CD2 4.05Å; I48-L50 HydrophobicContact CG2-CD2 3.86Å; I48-L50 HydrophobicContact CG2-CG 4.12Å; L50-L68 HydrophobicContact CD1-CD1 3.64Å; L50-L68 HydrophobicContact CG-CD1 3.67Å; L50-T69 PolarHBondContact N-O 2.97Å; L50-L70 HydrophobicContact CB-CD2 3.96Å; L50-L70 HydrophobicContact CD1-CD2 4.08Å; L50-L70 HydrophobicContact CG-CD2 4.35Å; L50-T71 PolarHBondContact O-N 2.93Å; L50-T71 PolarHBondContact O-OG1 2.86Å; L50-Y158 WeakPolarHBondContact CB-OH 3.34Å; L50-Y158 HydrophobicContact CD1-CD1 4.37Å; L50-Y158 HydrophobicContact CD1-CE1 3.47Å; L50-Y158 VanDerWaalsContact CD1-CE1 3.47Å |
| 51 | H | 89.3 | Confident | 89.8 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | trans | -116.2 | 58.3 | -171 | -59.2 | 80.7 | 0 | 0 | 0 | 109.8 | S49 T71 R73 | S49-H51 PolarHBondContact O-ND1 3.12Å; H51-T71 CarbonylContact C-O 3.44Å; H51-T71 VanDerWaalsContact C-O 3.27Å; H51-T71 VanDerWaalsContact CA-O 3.27Å; H51-T71 WeakPolarHBondContact CA-O 3.44Å; H51-T71 PolarHBondContact CD2-OG1 2.79Å; H51-R73 WeakPolarHBondContact O-CD 3.24Å; H51-R73 WeakPolarHBondContact O-CG 3.23Å; H51-R73 PolarHBondContact O-NE 2.79Å | ||
| 52 | C | 88.4 | Confident | 90.4 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -144.2 | 158.7 | -178.6 | -61.1 | 0 | 0 | 0 | 0 | 112 | C31 E54 T71 R73 L160 | C31-C52 WeakPolarHBondContact CA-SG 3.45Å; C31-C52 HydrophobicContact CB-CB 3.57Å; C31-C52 WeakPolarHBondContact CB-SG 3.42Å; C31-C52 WeakPolarHBondContact SG-CB 3.39Å; C31-C52 CovalentContact SG-SG 2.02Å; C31-C52 PolarHBondContact SG-SG 3.35Å; C52-E54 VanDerWaalsContact C-N 3.32Å; C52-E54 WeakPolarHBondContact CB-O 3.4Å; C52-T71 PolarHBondContact N-O 2.85Å; C52-R73 PolarHBondContact SG-NE 2.83Å; C52-R73 PolarHBondContact SG-NH2 3.4Å; C52-L160 VanDerWaalsContact O-CD1 3.24Å; C52-L160 WeakPolarHBondContact O-CD1 3.31Å |
| 53 | S | 86.8 | Confident | 91.2 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 46% | 0.462 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -80.3 | -14 | 172.7 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | E159 L160 | S53-E159 CarbonylContact O-C 3.55Å; S53-E159 WeakPolarHBondContact O-CA 2.92Å; S53-L160 PolarHBondContact O-N 2.93Å |
| 54 | E | 90.8 | Very high | 91.9 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 151.6 | 175.7 | 64.6 | -169.8 | -177.4 | 0 | 0 | 109.6 | C52 Y158 E159 K229 Y230 | C52-E54 VanDerWaalsContact C-N 3.32Å; C52-E54 WeakPolarHBondContact CB-O 3.4Å; E54-Y158 VanDerWaalsContact CA-O 3.28Å; E54-Y158 WeakPolarHBondContact CA-O 3.37Å; E54-E159 HydrophobicContact CB-CG 4.05Å; E54-K229 IonicContact OE1-NZ 2.67Å; E54-K229 PolarHBondContact OE1-NZ 2.04Å; E54-K229 IonicContact OE2-NZ 2.8Å; E54-K229 PolarHBondContact OE2-NZ 3.43Å; E54-K229 VanDerWaalsContact OE2-NZ 3.16Å; E54-Y230 PolarHBondContact OE1-OH 3.11Å |
| 55 | G | 92.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 45 Ų | 45 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | -168.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C31 R157 Y158 | C31-G55 WeakPolarHBondContact O-CA 3.32Å; G55-R157 WeakPolarHBondContact O-CA 3.2Å; G55-Y158 VanDerWaalsContact C-CD1 3.48Å; G55-Y158 VanDerWaalsContact CA-CE1 3.41Å; G55-Y158 PolarHBondContact N-O 3.22Å; G55-Y158 VanDerWaalsContact N-O 3.07Å; G55-Y158 WeakPolarHBondContact O-CD1 3.45Å; G55-Y158 PolarHBondContact O-N 2.94Å |
| 56 | T | 95 | Very high | 92.6 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 24% | 0.239 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 150.8 | -175.9 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | S32 W33 F156 R157 | S32-T56 CarbonylContact C-O 3.47Å; S32-T56 WeakPolarHBondContact CA-O 3.1Å; S32-T56 VanDerWaalsContact CB-OG1 3.28Å; S32-T56 WeakPolarHBondContact CB-OG1 3.22Å; S32-T56 PolarHBondContact OG-N 2.81Å; S32-T56 PolarHBondContact OG-OG1 2.91Å; W33-T56 PolarHBondContact N-O 3.09Å; T56-F156 WeakPolarHBondContact CA-O 3.47Å; T56-R157 HydrophobicContact CG2-CG 3.98Å |
| 57 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127 | 167 | -173.7 | 150.9 | 0 | 0 | 0 | 108.2 | W33 W59 L66 L68 L141 S155 F156 | W33-L57 HydrophobicContact CE3-CD1 4.39Å; W33-L57 HydrophobicContact CE3-CD2 4.29Å; W33-L57 HydrophobicContact CE3-CG 3.9Å; W33-L57 HydrophobicContact CZ3-CD2 4.32Å; W33-L57 HydrophobicContact CZ3-CG 4.4Å; W33-L57 CarbonylContact O-C 3.41Å; W33-L57 WeakPolarHBondContact O-CA 3.34Å; L57-W59 HydrophobicContact CD2-CB 3.94Å; L57-L66 HydrophobicContact CD2-CD1 4.43Å; L57-L68 HydrophobicContact CD1-CD1 4.34Å; L57-L68 HydrophobicContact CD1-CD2 3.76Å; L57-L68 HydrophobicContact CD1-CG 4.44Å; L57-L141 HydrophobicContact CD1-CD1 4.3Å; L57-L141 HydrophobicContact CD2-CD2 4Å; L57-S155 CarbonylContact O-C 3.54Å; L57-S155 WeakPolarHBondContact O-CA 3.48Å; L57-S155 WeakPolarHBondContact O-CB 3.36Å; L57-F156 HydrophobicContact CB-CD1 4.14Å; L57-F156 HydrophobicContact CB-CE1 3.67Å; L57-F156 HydrophobicContact CB-CE2 4.38Å; L57-F156 HydrophobicContact CB-CZ 3.82Å; L57-F156 HydrophobicContact CD1-CE1 3.96Å; L57-F156 HydrophobicContact CD1-CZ 4.01Å; L57-F156 HydrophobicContact CD2-CD1 4.31Å; L57-F156 HydrophobicContact CD2-CE1 3.8Å; L57-F156 HydrophobicContact CG-CE1 4Å; L57-F156 HydrophobicContact CG-CZ 4.34Å; L57-F156 PolarHBondContact N-O 3.17Å; L57-F156 PolarHBondContact O-N 3.36Å |
| 58 | D | 95.8 | Very high | 92.9 | Very high | 50 Ų | 50 | 34.6 Ų | 34.6 | 27% | 0.267 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 98.4 | 178.3 | -70.2 | -68.3 | 0 | 0 | 0 | 110.2 | W33 R34 G35 S155 | W33-D58 PolarHBondContact O-N 3.46Å; R34-D58 VanDerWaalsContact CA-O 3.32Å; R34-D58 WeakPolarHBondContact CA-O 3.27Å; R34-D58 HydrophobicContact CB-CB 4.14Å; R34-D58 HydrophobicContact CG-CB 3.95Å; G35-D58 PolarHBondContact N-O 2.72Å; D58-S155 WeakPolarHBondContact OD1-CB 3.46Å |
| 59 | W | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 107.2 | 179.1 | -167.6 | 25.8 | 0 | 0 | 0 | 111.5 | W33 L57 P62 K63 L66 A100 L141 A143 T153 A154 | W33-W59 AromaticContact CH2-CD1 3.8Å; W33-W59 HydrophobicContact CH2-CG 4.35Å; W33-W59 HydrophobicContact CZ3-CB 3.97Å; W33-W59 AromaticContact CZ3-CD1 3.98Å; W33-W59 HydrophobicContact CZ3-CG 4.16Å; L57-W59 HydrophobicContact CD2-CB 3.94Å; W59-P62 HydrophobicContact CD2-CB 3.83Å; W59-P62 HydrophobicContact CD2-CG 4.09Å; W59-P62 HydrophobicContact CE3-CB 3.66Å; W59-P62 HydrophobicContact CE3-CG 4.04Å; W59-P62 HydrophobicContact CG-CG 4.4Å; W59-P62 HydrophobicContact CH2-CB 4.03Å; W59-P62 HydrophobicContact CZ2-CB 4.2Å; W59-P62 HydrophobicContact CZ3-CB 3.75Å; W59-K63 WeakPolarHBondContact CZ2-O 2.87Å; W59-L66 HydrophobicContact CB-CD1 4.13Å; W59-L66 HydrophobicContact CD2-CD1 3.48Å; W59-L66 VanDerWaalsContact CD2-CD1 3.48Å; W59-L66 HydrophobicContact CD2-CD2 4.48Å; W59-L66 HydrophobicContact CD2-CG 3.9Å; W59-L66 HydrophobicContact CE3-CD1 3.77Å; W59-L66 HydrophobicContact CE3-CG 4.03Å; W59-L66 HydrophobicContact CG-CD1 3.67Å; W59-L66 HydrophobicContact CH2-CG 3.98Å; W59-L66 HydrophobicContact CZ2-CD1 4.33Å; W59-L66 HydrophobicContact CZ2-CD2 3.93Å; W59-L66 HydrophobicContact CZ2-CG 3.82Å; W59-L66 HydrophobicContact CZ3-CD1 4.33Å; W59-L66 HydrophobicContact CZ3-CG 4.08Å; W59-A100 HydrophobicContact CE3-CB 4.31Å; W59-A100 HydrophobicContact CZ3-CB 4.17Å; W59-L141 HydrophobicContact CE3-CB 4.22Å; W59-L141 HydrophobicContact CE3-CD2 4.23Å; W59-L141 HydrophobicContact CZ3-CB 3.94Å; W59-A143 HydrophobicContact CH2-CB 3.88Å; W59-A143 HydrophobicContact CZ3-CB 4.3Å; W59-T153 WeakPolarHBondContact O-CA 3.34Å; W59-A154 HydrophobicContact CB-CB 4.32Å; W59-A154 HydrophobicContact CE3-CB 4.32Å; W59-A154 PolarHBondContact N-O 2.79Å; W59-A154 PolarHBondContact O-N 2.73Å |
| 60 | L | 93.8 | Very high | 92.7 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 15% | 0.152 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 141.3 | 179.3 | -59.5 | 170.7 | 0 | 0 | 0 | 110.2 | G35 S36 G37 T153 | G35-L60 PolarHBondContact O-N 3.09Å; S36-L60 CarbonylContact C-O 3.5Å; S36-L60 VanDerWaalsContact CA-O 3.23Å; S36-L60 WeakPolarHBondContact CA-O 3.5Å; G37-L60 PolarHBondContact N-O 3.28Å; L60-T153 HydrophobicContact CD2-CG2 3.91Å |
| 61 | Y | 92.2 | Very high | 92.4 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 32% | 0.318 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 46.1 | 59.6 | -179.4 | -55 | -84.7 | 0 | 0 | 0 | 112.6 | G37 L38 K63 R151 R152 | G37-Y61 VanDerWaalsContact CA-O 3.23Å; G37-Y61 WeakPolarHBondContact CA-O 3.36Å; G37-Y61 PolarHBondContact N-O 2.78Å; L38-Y61 HydrophobicContact CD1-CD1 4.27Å; L38-Y61 HydrophobicContact CD1-CD2 3.95Å; L38-Y61 HydrophobicContact CD1-CE2 4.49Å; L38-Y61 HydrophobicContact CD1-CG 3.83Å; L38-Y61 HydrophobicContact CG-CD2 4.39Å; L38-Y61 HydrophobicContact CG-CG 4.03Å; Y61-K63 PolarHBondContact O-N 2.95Å; Y61-R151 VanDerWaalsContact CE1-CA 3.49Å; Y61-R151 HydrophobicContact CE1-CB 3.82Å; Y61-R151 HydrophobicContact CE1-CG 4.1Å; Y61-R151 HydrophobicContact CE2-CG 4.38Å; Y61-R152 PolarHBondContact N-O 2.92Å |
| 62 | P | 93.1 | Very high | 92 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | trans | -50.7 | 130 | -175.8 | -28.7 | 36.9 | 0 | 0 | 0 | 112.7 | W59 G99 A100 A143 A154 | W59-P62 HydrophobicContact CD2-CB 3.83Å; W59-P62 HydrophobicContact CD2-CG 4.09Å; W59-P62 HydrophobicContact CE3-CB 3.66Å; W59-P62 HydrophobicContact CE3-CG 4.04Å; W59-P62 HydrophobicContact CG-CG 4.4Å; W59-P62 HydrophobicContact CH2-CB 4.03Å; W59-P62 HydrophobicContact CZ2-CB 4.2Å; W59-P62 HydrophobicContact CZ3-CB 3.75Å; P62-G99 WeakPolarHBondContact CB-O 3.24Å; P62-A100 HydrophobicContact CB-CB 4.27Å; P62-A100 HydrophobicContact CG-CB 4.4Å; P62-A143 VanDerWaalsContact C-CB 3.44Å; P62-A143 HydrophobicContact CB-CB 3.78Å; P62-A154 HydrophobicContact CG-CB 3.93Å | ||
| 63 | K | 91.1 | Very high | 91.4 | Very high | 85 Ų | 85 | 37.1 Ų | 37.1 | 37% | 0.37 | 20% | 0.197 | S | C | . | . | trans | -152.7 | 131.4 | 176.7 | -173.6 | -180 | -179.3 | -178.1 | 0 | 109.7 | G37 Q40 W59 Y61 | G37-K63 WeakPolarHBondContact O-CB 3.49Å; Q40-K63 PolarHBondContact OE1-O 3.07Å; W59-K63 WeakPolarHBondContact CZ2-O 2.87Å; Y61-K63 PolarHBondContact O-N 2.95Å | ||
| 64 | G | 91.9 | Very high | 90.4 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 78.6 | -134.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111 | A143 | G64-A143 WeakPolarHBondContact O-CB 3.01Å; G64-A143 PolarHBondContact O-N 3.02Å |
| 65 | A | 94.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 7% | 0.066 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 156.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q40 V45 E46 F140 L141 | Q40-A65 PolarHBondContact NE2-O 3.22Å; V45-A65 WeakPolarHBondContact CA-O 3.2Å; V45-A65 HydrophobicContact CG1-CB 4.37Å; V45-A65 HydrophobicContact CG2-CB 4.24Å; E46-A65 PolarHBondContact N-O 2.68Å; A65-F140 HydrophobicContact CB-CE1 3.91Å; A65-F140 HydrophobicContact CB-CE2 3.95Å; A65-F140 HydrophobicContact CB-CZ 3.38Å; A65-L141 CarbonylContact C-O 3.54Å; A65-L141 WeakPolarHBondContact CA-O 3.28Å; A65-L141 VanDerWaalsContact CB-O 3.22Å; A65-L141 WeakPolarHBondContact CB-O 3.41Å |
| 66 | L | 95.3 | Very high | 87 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.9 | 171.7 | -48.1 | 177.1 | 0 | 0 | 0 | 109.5 | W33 E46 I48 L57 W59 F140 L141 | W33-L66 HydrophobicContact CH2-CD1 3.73Å; W33-L66 HydrophobicContact CH2-CD2 4.2Å; W33-L66 HydrophobicContact CZ3-CD1 3.74Å; E46-L66 HydrophobicContact CB-CD2 3.71Å; E46-L66 HydrophobicContact CG-CD2 4.45Å; E46-L66 CarbonylContact O-C 3.55Å; E46-L66 WeakPolarHBondContact O-CA 3.36Å; I48-L66 HydrophobicContact CD1-CB 4.17Å; I48-L66 HydrophobicContact CD1-CD1 3.87Å; I48-L66 HydrophobicContact CD1-CD2 4.19Å; I48-L66 HydrophobicContact CD1-CG 4.31Å; L57-L66 HydrophobicContact CD2-CD1 4.43Å; W59-L66 HydrophobicContact CB-CD1 4.13Å; W59-L66 HydrophobicContact CD2-CD1 3.48Å; W59-L66 VanDerWaalsContact CD2-CD1 3.48Å; W59-L66 HydrophobicContact CD2-CD2 4.48Å; W59-L66 HydrophobicContact CD2-CG 3.9Å; W59-L66 HydrophobicContact CE3-CD1 3.77Å; W59-L66 HydrophobicContact CE3-CG 4.03Å; W59-L66 HydrophobicContact CG-CD1 3.67Å; W59-L66 HydrophobicContact CH2-CG 3.98Å; W59-L66 HydrophobicContact CZ2-CD1 4.33Å; W59-L66 HydrophobicContact CZ2-CD2 3.93Å; W59-L66 HydrophobicContact CZ2-CG 3.82Å; W59-L66 HydrophobicContact CZ3-CD1 4.33Å; W59-L66 HydrophobicContact CZ3-CG 4.08Å; L66-F140 WeakPolarHBondContact O-CA 3.44Å; L66-L141 HydrophobicContact CB-CB 4.17Å; L66-L141 PolarHBondContact N-O 3.12Å; L66-L141 PolarHBondContact O-N 2.93Å |
| 67 | R | 95 | Very high | 84.6 | Confident | 63 Ų | 63 | 47.7 Ų | 47.7 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.2 | 167.1 | -174.3 | 179 | -176.2 | -128.4 | 8.8 | 109.2 | V45 E46 Q47 I48 E105 F140 | V45-R67 HydrophobicContact CG1-CB 3.89Å; E46-R67 PolarHBondContact O-N 3.4Å; Q47-R67 WeakPolarHBondContact CA-O 3.09Å; I48-R67 PolarHBondContact N-O 3.27Å; R67-E105 IonicContact CZ-OE1 3.19Å; R67-E105 IonicContact CZ-OE2 3.77Å; R67-E105 IonicContact NE-OE1 3.37Å; R67-E105 IonicContact NE-OE2 2.81Å; R67-E105 PolarHBondContact NE-OE2 2.78Å; R67-E105 IonicContact NH2-OE1 3.73Å; R67-E105 PolarHBondContact NH2-OE1 2.86Å; R67-E105 IonicContact NH2-OE2 2.89Å; R67-E105 PolarHBondContact NH2-OE2 3.26Å; R67-F140 HydrophobicContact CB-CD2 4.31Å |
| 68 | L | 94.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 119.9 | -177.8 | 174.8 | 66.1 | 0 | 0 | 0 | 110.5 | I48 L50 L57 L70 A138 L139 F156 | I48-L68 HydrophobicContact CB-CD1 4Å; I48-L68 HydrophobicContact CG2-CD1 3.69Å; I48-L68 CarbonylContact O-C 3.52Å; I48-L68 WeakPolarHBondContact O-CA 3.36Å; L50-L68 HydrophobicContact CD1-CD1 3.64Å; L50-L68 HydrophobicContact CG-CD1 3.67Å; L57-L68 HydrophobicContact CD1-CD1 4.34Å; L57-L68 HydrophobicContact CD1-CD2 3.76Å; L57-L68 HydrophobicContact CD1-CG 4.44Å; L68-L70 HydrophobicContact CD1-CD2 3.93Å; L68-L70 HydrophobicContact CD2-CD1 4.46Å; L68-L70 HydrophobicContact CD2-CD2 3.82Å; L68-L70 HydrophobicContact CD2-CG 4.17Å; L68-L70 HydrophobicContact CG-CD2 3.81Å; L68-L70 HydrophobicContact CG-CG 4.1Å; L68-A138 CarbonylContact O-C 3.46Å; L68-A138 VanDerWaalsContact O-CA 3.32Å; L68-A138 WeakPolarHBondContact O-CA 3.38Å; L68-L139 HydrophobicContact CB-CB 4.24Å; L68-L139 HydrophobicContact CD2-CB 4.47Å; L68-L139 HydrophobicContact CD2-CD1 4.22Å; L68-L139 PolarHBondContact N-O 2.94Å; L68-L139 PolarHBondContact O-N 2.89Å; L68-F156 HydrophobicContact CD2-CE2 4.21Å; L68-F156 HydrophobicContact CD2-CZ 3.65Å |
| 69 | T | 92.8 | Very high | 79.6 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 14% | 0.135 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.4 | 170.6 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | I48 S49 L50 T71 | I48-T69 PolarHBondContact O-N 2.86Å; S49-T69 WeakPolarHBondContact CA-O 3.2Å; L50-T69 PolarHBondContact N-O 2.97Å; T69-T71 HydrophobicContact CG2-CG2 4.28Å |
| 70 | L | 91.1 | Very high | 76.9 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.5 | 179.1 | -62 | -178.7 | 0 | 0 | 0 | 110 | L50 L68 L137 L139 Y158 L160 | L50-L70 HydrophobicContact CB-CD2 3.96Å; L50-L70 HydrophobicContact CD1-CD2 4.08Å; L50-L70 HydrophobicContact CG-CD2 4.35Å; L68-L70 HydrophobicContact CD1-CD2 3.93Å; L68-L70 HydrophobicContact CD2-CD1 4.46Å; L68-L70 HydrophobicContact CD2-CD2 3.82Å; L68-L70 HydrophobicContact CD2-CG 4.17Å; L68-L70 HydrophobicContact CG-CD2 3.81Å; L68-L70 HydrophobicContact CG-CG 4.1Å; L70-L137 HydrophobicContact CB-CB 4.48Å; L70-L137 HydrophobicContact CB-CD2 3.6Å; L70-L137 HydrophobicContact CD1-CD2 3.63Å; L70-L137 HydrophobicContact CG-CD2 4.02Å; L70-L137 PolarHBondContact N-O 3.02Å; L70-L139 HydrophobicContact CD1-CD1 3.95Å; L70-Y158 HydrophobicContact CD1-CD2 3.8Å; L70-Y158 HydrophobicContact CD1-CE2 4.47Å; L70-Y158 HydrophobicContact CD1-CG 3.9Å; L70-Y158 HydrophobicContact CD2-CD1 4.17Å; L70-Y158 HydrophobicContact CD2-CD2 3.89Å; L70-Y158 HydrophobicContact CD2-CE1 4.09Å; L70-Y158 HydrophobicContact CD2-CE2 3.79Å; L70-Y158 HydrophobicContact CD2-CG 4.08Å; L70-Y158 HydrophobicContact CG-CD2 4.42Å; L70-L160 HydrophobicContact CB-CD1 4.08Å; L70-L160 HydrophobicContact CB-CD2 4.06Å; L70-L160 HydrophobicContact CD1-CD2 4.1Å |
| 71 | T | 86.3 | Confident | 74.5 | Confident | 45 Ų | 45 | 58 Ų | 58 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | trans | -131.8 | 132.1 | 178.8 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | L50 H51 C52 T69 | L50-T71 PolarHBondContact O-N 2.93Å; L50-T71 PolarHBondContact O-OG1 2.86Å; H51-T71 CarbonylContact C-O 3.44Å; H51-T71 VanDerWaalsContact C-O 3.27Å; H51-T71 VanDerWaalsContact CA-O 3.27Å; H51-T71 WeakPolarHBondContact CA-O 3.44Å; H51-T71 PolarHBondContact CD2-OG1 2.79Å; C52-T71 PolarHBondContact N-O 2.85Å; T69-T71 HydrophobicContact CG2-CG2 4.28Å | ||
| 72 | P | 80.1 | Confident | 71.8 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 25% | 0.247 | 40% | 0.396 | C | S | . | . | trans | -73 | 141.8 | 174 | 31.3 | -33.8 | 0 | 0 | 0 | 109.9 | L74 I87 L160 | P72-L74 VanDerWaalsContact C-N 3.3Å; P72-L74 PolarHBondContact O-N 2.89Å; P72-I87 HydrophobicContact CG-CD1 3.87Å; P72-L160 HydrophobicContact CB-CD1 4.26Å | ||
| 73 | R | 75.8 | Confident | 69.7 | Low | 120 Ų | 120 | 63.6 Ų | 63.6 | 45% | 0.453 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -61.3 | -39.6 | 177.7 | -70.9 | -176.8 | -179 | -122.1 | 10.7 | 113.4 | D29 C31 H51 C52 | D29-R73 VanDerWaalsContact CG-CZ 3.43Å; D29-R73 IonicContact OD1-CZ 3.28Å; D29-R73 IonicContact OD1-NH1 3.6Å; D29-R73 PolarHBondContact OD1-NH1 2.83Å; D29-R73 IonicContact OD1-NH2 2.77Å; D29-R73 PolarHBondContact OD1-NH2 3.41Å; D29-R73 IonicContact OD2-CZ 3.47Å; D29-R73 IonicContact OD2-NH1 2.78Å; D29-R73 PolarHBondContact OD2-NH1 2.97Å; D29-R73 IonicContact OD2-NH2 2.68Å; D29-R73 PolarHBondContact OD2-NH2 3.1Å; D29-R73 VanDerWaalsContact OD2-NH2 3.17Å; C31-R73 PolarHBondContact SG-NH2 3.03Å; H51-R73 WeakPolarHBondContact O-CD 3.24Å; H51-R73 WeakPolarHBondContact O-CG 3.23Å; H51-R73 PolarHBondContact O-NE 2.79Å; C52-R73 PolarHBondContact SG-NE 2.83Å; C52-R73 PolarHBondContact SG-NH2 3.4Å |
| 74 | L | 65.7 | Low | 67.8 | Low | 142 Ų | 142 | 61 Ų | 61 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -105.6 | 122.3 | 179.6 | -66.6 | 165.5 | 0 | 0 | 0 | 106.9 | P72 | P72-L74 VanDerWaalsContact C-N 3.3Å; P72-L74 PolarHBondContact O-N 2.89Å |
| 75 | A | 57.1 | Low | 66.4 | Low | 78 Ų | 78 | 60.1 Ų | 60.1 | 65% | 0.645 | 41% | 0.411 | S | S | * | . | trans | -54.7 | 136.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | V77 | A75-V77 PolarHBondContact O-N 2.92Š| ||
| 76 | P | 54.2 | Low | 65.3 | Low | 48 Ų | 48 | 62 Ų | 62 | 31% | 0.312 | 42% | 0.421 | S | S | . | . | trans | -58.2 | 108.2 | -179.9 | 20.6 | -29.7 | 0 | 0 | 0 | 109.1 | A78 I87 | P76-A78 PolarHBondContact O-N 2.96Å; P76-I87 HydrophobicContact CG-CD1 4.16Å; P76-I87 HydrophobicContact CG-CG1 4.12Å | ||
| 77 | V | 46.3 | Very low | 64.5 | Low | 137 Ų | 137 | 62.5 Ų | 62.5 | 83% | 0.83 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -63.5 | -2.8 | 179.4 | -171.9 | 0 | 0 | 0 | 0 | 111.8 | A75 A79 | A75-V77 PolarHBondContact O-N 2.92Å; V77-A79 PolarHBondContact O-N 3.3Å |
| 78 | A | 44.8 | Very low | 64 | Low | 62 Ų | 62 | 59.8 Ų | 59.8 | 51% | 0.512 | 41% | 0.414 | S | S | . | . | trans | -76.2 | 22.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | P76 A80 G84 | P76-A78 PolarHBondContact O-N 2.96Å; A78-A80 PolarHBondContact O-N 3.32Å; A78-G84 WeakPolarHBondContact O-CA 3.46Å | ||
| 79 | A | 40.9 | Very low | 63.6 | Low | 89 Ų | 89 | 59.8 Ų | 59.8 | 74% | 0.736 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 13.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V77 | V77-A79 PolarHBondContact O-N 3.3Š|
| 80 | A | 38.5 | Very low | 63.5 | Low | 105 Ų | 105 | 59 Ų | 59 | 87% | 0.868 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | 18.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A78 | A78-A80 PolarHBondContact O-N 3.32Š|
| 81 | G | 42.3 | Very low | 63.6 | Low | 41 Ų | 41 | 58.8 Ų | 58.8 | 42% | 0.423 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -140.9 | 158.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G83 G84 | G81-G83 PolarHBondContact O-N 2.95Å; G81-G83 VanDerWaalsContact O-N 3.09Å; G81-G84 PolarHBondContact O-N 2.02Å |
| 82 | P | 36.8 | Very low | 63.9 | Low | 151 Ų | 151 | 59 Ų | 59 | 98% | 0.981 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 111.3 | 176.9 | 16 | -9.2 | 0 | 0 | 0 | 108.8 | ||
| 83 | G | 49 | Very low | 64.6 | Low | 65 Ų | 65 | 57.4 Ų | 57.4 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.9 | -1.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G81 G85 | G81-G83 PolarHBondContact O-N 2.95Å; G81-G83 VanDerWaalsContact O-N 3.09Å; G83-G85 PolarHBondContact O-N 3.18Å |
| 84 | G | 51.4 | Low | 65.3 | Low | 31 Ų | 31 | 52.8 Ų | 52.8 | 32% | 0.32 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 91.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A78 G81 | A78-G84 WeakPolarHBondContact O-CA 3.46Å; G81-G84 PolarHBondContact O-N 2.02Å |
| 85 | G | 61 | Low | 66.4 | Low | 15 Ų | 15 | 51.6 Ų | 51.6 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 143.7 | -6.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115 | G83 I87 | G83-G85 PolarHBondContact O-N 3.18Å; G85-I87 PolarHBondContact O-N 2.89Å |
| 86 | V | 72.6 | Confident | 67.9 | Low | 48 Ų | 48 | 53.6 Ų | 53.6 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | trans | -73.2 | 122 | 171.7 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | R131 | V86-R131 WeakPolarHBondContact CA-O 3.2Š| ||
| 87 | I | 78.3 | Confident | 69.7 | Low | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.051 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.9 | 174.4 | -65 | 159.9 | 0 | 0 | 0 | 107.4 | P72 P76 G85 S130 R131 L160 | P72-I87 HydrophobicContact CG-CD1 3.87Å; P76-I87 HydrophobicContact CG-CD1 4.16Å; P76-I87 HydrophobicContact CG-CG1 4.12Å; G85-I87 PolarHBondContact O-N 2.89Å; I87-S130 WeakPolarHBondContact O-CA 3.3Å; I87-R131 PolarHBondContact N-O 2.86Å; I87-R131 PolarHBondContact O-N 2.85Å; I87-L160 HydrophobicContact CG2-CB 4.35Å |
| 88 | T | 84.1 | Confident | 71.8 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.9 | 170.4 | -56.2 | 0 | 0 | 0 | 0 | 108.4 | C128 F129 R161 | T88-C128 HydrophobicContact CG2-CB 4.25Å; T88-F129 WeakPolarHBondContact CA-O 3.31Å; T88-R161 PolarHBondContact N-O 3.34Å; T88-R161 PolarHBondContact O-N 2.83Å |
| 89 | A | 87.6 | Confident | 74 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | C128 F129 L137 E159 L160 | A89-C128 CarbonylContact O-C 3.48Å; A89-C128 VanDerWaalsContact O-CA 3.24Å; A89-C128 WeakPolarHBondContact O-CA 3.17Å; A89-F129 HydrophobicContact CB-CD2 4.22Å; A89-F129 HydrophobicContact CB-CE1 4.35Å; A89-F129 HydrophobicContact CB-CE2 3.63Å; A89-F129 HydrophobicContact CB-CZ 3.68Å; A89-F129 PolarHBondContact N-O 2.81Å; A89-F129 PolarHBondContact O-N 2.85Å; A89-L137 HydrophobicContact CB-CD1 3.41Å; A89-L137 VanDerWaalsContact CB-CD1 3.41Å; A89-L137 HydrophobicContact CB-CD2 3.58Å; A89-L137 HydrophobicContact CB-CG 4.08Å; A89-E159 CarbonylContact C-O 3.52Å; A89-E159 VanDerWaalsContact CA-O 3.29Å; A89-E159 WeakPolarHBondContact CA-O 3.42Å; A89-L160 HydrophobicContact CB-CD2 3.46Å; A89-L160 VanDerWaalsContact CB-CD2 3.46Å |
| 90 | C | 90.5 | Very high | 76.6 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146.7 | 171 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | V126 R127 C128 Y158 E159 F268 | C90-V126 HydrophobicContact CB-CG1 4.01Å; C90-R127 CarbonylContact C-O 3.59Å; C90-R127 WeakPolarHBondContact CA-O 3.22Å; C90-C128 HydrophobicContact CB-CB 4.13Å; C90-C128 WeakPolarHBondContact CB-SG 3.46Å; C90-C128 WeakPolarHBondContact SG-CB 3.48Å; C90-C128 CovalentContact SG-SG 2.04Å; C90-C128 PolarHBondContact SG-SG 3.41Å; C90-Y158 CarbonylContact O-C 3.52Å; C90-Y158 VanDerWaalsContact O-CA 3.3Å; C90-Y158 WeakPolarHBondContact O-CA 3.44Å; C90-E159 PolarHBondContact N-O 2.04Å; C90-E159 PolarHBondContact O-N 2.86Å; C90-F268 HydrophobicContact CB-CE2 3.86Å; C90-F268 HydrophobicContact CB-CZ 4.03Å |
| 91 | V | 92.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.1 | 172.5 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | L102 L113 V126 R127 F129 L139 F156 R157 | V91-L102 HydrophobicContact CB-CD2 4.37Å; V91-L102 HydrophobicContact CG2-CD2 3.92Å; V91-L113 HydrophobicContact CG2-CD1 4.4Å; V91-V126 WeakPolarHBondContact O-CA 3.24Å; V91-R127 HydrophobicContact CG2-CB 3.91Å; V91-R127 PolarHBondContact N-O 3.37Å; V91-R127 PolarHBondContact O-N 3.49Å; V91-F129 HydrophobicContact CG1-CE1 4.41Å; V91-L139 HydrophobicContact CG1-CD1 3.81Å; V91-F156 HydrophobicContact CB-CD2 4.06Å; V91-F156 HydrophobicContact CG1-CD2 3.94Å; V91-F156 HydrophobicContact CG1-CE2 3.91Å; V91-R157 CarbonylContact C-O 3.58Å; V91-R157 VanDerWaalsContact CA-O 3.31Å; V91-R157 WeakPolarHBondContact CA-O 3.29Å |
| 92 | K | 92.5 | Very high | 81.8 | Confident | 49 Ų | 49 | 36.3 Ų | 36.3 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 103.1 | 173.1 | -173.4 | 173.2 | -177.1 | 172.5 | 0 | 108.4 | V126 F156 R157 F268 E270 | K92-V126 HydrophobicContact CB-CG2 4Å; K92-V126 HydrophobicContact CD-CG2 4.06Å; K92-V126 HydrophobicContact CG-CG2 3.91Å; K92-F156 WeakPolarHBondContact O-CA 3.11Å; K92-F156 WeakPolarHBondContact O-CB 3.08Å; K92-R157 PolarHBondContact N-O 3.49Å; K92-R157 PolarHBondContact O-N 2.96Å; K92-F268 HydrophobicContact CB-CD1 3.73Å; K92-F268 HydrophobicContact CB-CD2 3.75Å; K92-F268 HydrophobicContact CB-CE1 3.73Å; K92-F268 HydrophobicContact CB-CE2 3.72Å; K92-F268 HydrophobicContact CB-CG 3.75Å; K92-F268 HydrophobicContact CB-CZ 3.71Å; K92-F268 HydrophobicContact CD-CB 3.59Å; K92-F268 HydrophobicContact CD-CD1 4.28Å; K92-F268 HydrophobicContact CD-CD2 4Å; K92-F268 HydrophobicContact CD-CG 3.7Å; K92-F268 HydrophobicContact CG-CD2 4.44Å; K92-F268 HydrophobicContact CG-CG 4.36Å; K92-E270 IonicContact NZ-OE1 2.64Å; K92-E270 PolarHBondContact NZ-OE1 3.22Å |
| 93 | P | 93.6 | Very high | 84.6 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 149.8 | 174.1 | -15.1 | 29.5 | 0 | 0 | 0 | 110.3 | F97 V114 P124 | P93-F97 HydrophobicContact CB-CB 3.96Å; P93-F97 HydrophobicContact CB-CD2 4.28Å; P93-F97 HydrophobicContact CB-CG 4.08Å; P93-V114 HydrophobicContact CB-CG1 4.32Å; P93-V114 HydrophobicContact CG-CB 4.39Å; P93-V114 HydrophobicContact CG-CG1 3.86Å; P93-V114 HydrophobicContact CG-CG2 3.62Å; P93-P124 HydrophobicContact CB-CB 3.61Å; P93-P124 HydrophobicContact CB-CG 4.13Å; P93-P124 HydrophobicContact CG-CB 3.82Å |
| 94 | S | 92.1 | Very high | 86.7 | Confident | 23 Ų | 23 | 28 Ų | 28 | 16% | 0.161 | 15% | 0.149 | C | C | . | . | trans | -70.6 | 156.3 | 170.3 | 71.7 | 0 | 0 | 0 | 0 | 110.5 | Q96 F97 P124 S155 | S94-Q96 PolarHBondContact O-N 3.36Å; S94-Q96 VanDerWaalsContact O-N 3.12Å; S94-Q96 PolarHBondContact OG-N 2.67Å; S94-Q96 PolarHBondContact OG-OE1 3.31Å; S94-F97 VanDerWaalsContact O-CB 3.26Å; S94-F97 WeakPolarHBondContact O-CB 3.16Å; S94-F97 PolarHBondContact O-N 3.17Å; S94-F97 PolarHBondContact OG-N 3.25Å; S94-F97 VanDerWaalsContact OG-N 3.14Å; S94-P124 WeakPolarHBondContact O-CG 3.25Å; S94-S155 WeakPolarHBondContact CB-O 3.16Å; S94-S155 VanDerWaalsContact CB-OG 3.29Å; S94-S155 WeakPolarHBondContact CB-OG 3.29Å; S94-S155 PolarHBondContact N-O 3.09Å; S94-S155 PolarHBondContact OG-O 2.9Å; S94-S155 PolarHBondContact OG-OG 3.31Å | ||
| 95 | E | 88.4 | Confident | 88.7 | Confident | 117 Ų | 117 | 28.8 Ų | 28.8 | 55% | 0.547 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.6 | 172.5 | -63.4 | -61.2 | 151.7 | 0 | 0 | 111.9 | P124 | E95-P124 VanDerWaalsContact OE2-CD 3.23Å; E95-P124 WeakPolarHBondContact OE2-CD 3.08Å |
| 96 | Q | 87.4 | Confident | 89.9 | Confident | 119 Ų | 119 | 31.9 Ų | 31.9 | 56% | 0.556 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 15.1 | -179.5 | -39.4 | 79.3 | 24.9 | 0 | 0 | 112.3 | S94 H98 | S94-Q96 PolarHBondContact O-N 3.36Å; S94-Q96 VanDerWaalsContact O-N 3.12Å; S94-Q96 PolarHBondContact OG-N 2.67Å; S94-Q96 PolarHBondContact OG-OE1 3.31Å; Q96-H98 PolarHBondContact O-CE1 2.8Å; Q96-H98 PolarHBondContact O-N 3.47Å; Q96-H98 VanDerWaalsContact O-N 3.13Å; Q96-H98 PolarHBondContact O-ND1 2.77Å |
| 97 | F | 91.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | trans | -67.3 | 111.6 | 177.7 | -178.5 | -83.2 | 0 | 0 | 0 | 110 | P93 S94 A100 L102 V114 A154 S155 F156 | P93-F97 HydrophobicContact CB-CB 3.96Å; P93-F97 HydrophobicContact CB-CD2 4.28Å; P93-F97 HydrophobicContact CB-CG 4.08Å; S94-F97 VanDerWaalsContact O-CB 3.26Å; S94-F97 WeakPolarHBondContact O-CB 3.16Å; S94-F97 PolarHBondContact O-N 3.17Å; S94-F97 PolarHBondContact OG-N 3.25Å; S94-F97 VanDerWaalsContact OG-N 3.14Å; F97-A100 WeakPolarHBondContact CE1-O 3.37Å; F97-A100 HydrophobicContact CZ-CB 4.41Å; F97-L102 HydrophobicContact CZ-CB 4.38Å; F97-V114 HydrophobicContact CD1-CG1 3.97Å; F97-V114 HydrophobicContact CE1-CB 4.46Å; F97-V114 HydrophobicContact CE1-CG1 3.84Å; F97-V114 HydrophobicContact CZ-CG1 4.49Å; F97-A154 HydrophobicContact CD2-CB 4.15Å; F97-A154 HydrophobicContact CE2-CB 3.72Å; F97-A154 HydrophobicContact CZ-CB 4.16Å; F97-S155 WeakPolarHBondContact CD2-O 3.28Å; F97-F156 HydrophobicContact CE2-CD1 4.42Å | ||
| 98 | H | 91 | Very high | 90.7 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | trans | -157.5 | 161.7 | 175.9 | 65 | -71 | 0 | 0 | 0 | 112.3 | Q96 A100 R152 T153 | Q96-H98 PolarHBondContact O-CE1 2.8Å; Q96-H98 PolarHBondContact O-N 3.47Å; Q96-H98 VanDerWaalsContact O-N 3.13Å; Q96-H98 PolarHBondContact O-ND1 2.77Å; H98-A100 VanDerWaalsContact C-N 3.35Å; H98-R152 WeakPolarHBondContact NE2-CA 3.09Å; H98-T153 PolarHBondContact N-O 2.74Å; H98-T153 VanDerWaalsContact N-O 3.12Å; H98-T153 CarbonylContact O-C 3.48Å | ||
| 99 | G | 91.6 | Very high | 91 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 82.9 | 8.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P62 D116 T144 | P62-G99 WeakPolarHBondContact CB-O 3.24Å; G99-D116 PolarHBondContact N-OD1 2.95Å; G99-T144 PolarHBondContact O-N 3.09Å |
| 100 | A | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 163.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W59 P62 F97 H98 D116 Q142 A154 | W59-A100 HydrophobicContact CE3-CB 4.31Å; W59-A100 HydrophobicContact CZ3-CB 4.17Å; P62-A100 HydrophobicContact CB-CB 4.27Å; P62-A100 HydrophobicContact CG-CB 4.4Å; F97-A100 WeakPolarHBondContact CE1-O 3.37Å; F97-A100 HydrophobicContact CZ-CB 4.41Å; H98-A100 VanDerWaalsContact C-N 3.35Å; A100-D116 WeakPolarHBondContact O-CA 3.23Å; A100-Q142 CarbonylContact C-O 3.45Å; A100-Q142 WeakPolarHBondContact CA-O 3.38Å; A100-Q142 WeakPolarHBondContact CB-O 3.48Å; A100-A154 HydrophobicContact CB-CB 3.56Å |
| 101 | Q | 95.2 | Very high | 91.4 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140.9 | 171.8 | -67.5 | 170.3 | -38.1 | 0 | 0 | 109 | Y103 L112 V114 D116 L141 Q142 | Q101-Y103 HydrophobicContact CB-CD2 4.35Å; Q101-Y103 HydrophobicContact CB-CE2 3.45Å; Q101-Y103 VanDerWaalsContact CB-CE2 3.45Å; Q101-Y103 PolarHBondContact OE1-OH 2.84Å; Q101-L112 HydrophobicContact CB-CD1 4.13Å; Q101-V114 WeakPolarHBondContact CA-O 3.14Å; Q101-D116 HydrophobicContact CG-CB 4.06Å; Q101-L141 WeakPolarHBondContact O-CA 3.3Å; Q101-Q142 PolarHBondContact N-O 3.48Å; Q101-Q142 PolarHBondContact O-N 2.86Å |
| 102 | L | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.9 | 178.3 | -179.2 | 67.5 | 0 | 0 | 0 | 110.1 | V91 F97 L113 V114 L139 L141 F156 | V91-L102 HydrophobicContact CB-CD2 4.37Å; V91-L102 HydrophobicContact CG2-CD2 3.92Å; F97-L102 HydrophobicContact CZ-CB 4.38Å; L102-L113 HydrophobicContact CG-CB 4.5Å; L102-L113 PolarHBondContact O-N 2.79Å; L102-V114 HydrophobicContact CB-CB 3.93Å; L102-V114 HydrophobicContact CB-CG2 4.22Å; L102-V114 HydrophobicContact CD2-CG2 3.94Å; L102-V114 PolarHBondContact N-O 2.83Å; L102-V114 PolarHBondContact O-N 2.75Å; L102-V114 VanDerWaalsContact O-N 3.1Å; L102-L139 HydrophobicContact CD1-CB 4.05Å; L102-L139 HydrophobicContact CD1-CD1 4.37Å; L102-L139 HydrophobicContact CD1-CD2 4.48Å; L102-L141 HydrophobicContact CD1-CD1 3.57Å; L102-L141 HydrophobicContact CD1-CD2 4.37Å; L102-L141 HydrophobicContact CD1-CG 3.63Å; L102-F156 HydrophobicContact CD1-CE1 4.23Å; L102-F156 HydrophobicContact CD1-CZ 4.29Å |
| 103 | Y | 95.5 | Very high | 91.3 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 14% | 0.137 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.9 | -179.5 | -57.7 | -96.4 | 0 | 0 | 0 | 111.5 | Q101 L110 E111 L112 L139 F140 Q142 | Q101-Y103 HydrophobicContact CB-CD2 4.35Å; Q101-Y103 HydrophobicContact CB-CE2 3.45Å; Q101-Y103 VanDerWaalsContact CB-CE2 3.45Å; Q101-Y103 PolarHBondContact OE1-OH 2.84Å; Y103-L110 HydrophobicContact CD1-CB 4.04Å; Y103-L110 HydrophobicContact CG-CB 4.22Å; Y103-E111 CarbonylContact C-O 3.27Å; Y103-E111 WeakPolarHBondContact CA-O 3.4Å; Y103-L112 HydrophobicContact CD1-CB 3.98Å; Y103-L112 HydrophobicContact CD1-CD1 3.98Å; Y103-L112 HydrophobicContact CE1-CB 3.86Å; Y103-L112 HydrophobicContact CE1-CD1 3.54Å; Y103-L112 HydrophobicContact CE1-CG 4.29Å; Y103-L112 HydrophobicContact CE2-CD1 4.28Å; Y103-L139 CarbonylContact O-C 3.52Å; Y103-L139 VanDerWaalsContact O-CA 3.29Å; Y103-L139 WeakPolarHBondContact O-CA 3.32Å; Y103-L139 WeakPolarHBondContact O-CD2 3.4Å; Y103-F140 HydrophobicContact CD2-CD1 4.3Å; Y103-F140 PolarHBondContact N-O 2.89Å; Y103-F140 PolarHBondContact O-N 2.83Å; Y103-Q142 HydrophobicContact CE2-CB 4.11Å |
| 104 | L | 93.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.9 | 164.5 | 177.8 | 60.2 | 0 | 0 | 0 | 109.2 | L110 E111 L113 F129 L139 | L104-L110 WeakPolarHBondContact O-CA 3.36Å; L104-E111 HydrophobicContact CB-CB 4.34Å; L104-E111 PolarHBondContact N-O 2.84Å; L104-E111 PolarHBondContact O-N 2.83Å; L104-L113 HydrophobicContact CB-CD1 3.93Å; L104-L113 HydrophobicContact CB-CD2 4.05Å; L104-L113 HydrophobicContact CB-CG 3.92Å; L104-F129 HydrophobicContact CD1-CD2 3.51Å; L104-F129 HydrophobicContact CD1-CE2 3.43Å; L104-F129 VanDerWaalsContact CD1-CE2 3.43Å; L104-F129 HydrophobicContact CD1-CG 4.13Å; L104-F129 HydrophobicContact CD1-CZ 4.03Å; L104-F129 HydrophobicContact CD2-CB 3.89Å; L104-F129 HydrophobicContact CD2-CD2 3.93Å; L104-F129 HydrophobicContact CD2-CG 3.87Å; L104-F129 HydrophobicContact CG-CD2 4.37Å; L104-L139 HydrophobicContact CD1-CD2 4.22Å |
| 105 | E | 92.1 | Very high | 91.1 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 115 | 171.5 | -174.6 | -171.2 | 157.1 | 0 | 0 | 109.3 | R67 L109 L110 A138 | R67-E105 IonicContact CZ-OE1 3.19Å; R67-E105 IonicContact CZ-OE2 3.77Å; R67-E105 IonicContact NE-OE1 3.37Å; R67-E105 IonicContact NE-OE2 2.81Å; R67-E105 PolarHBondContact NE-OE2 2.78Å; R67-E105 IonicContact NH2-OE1 3.73Å; R67-E105 PolarHBondContact NH2-OE1 2.86Å; R67-E105 IonicContact NH2-OE2 2.89Å; R67-E105 PolarHBondContact NH2-OE2 3.26Å; E105-L109 WeakPolarHBondContact CA-O 3.26Å; E105-L110 HydrophobicContact CB-CD2 3.94Å; E105-L110 HydrophobicContact CG-CD2 4.2Å; E105-A138 HydrophobicContact CB-CB 3.92Å; E105-A138 HydrophobicContact CG-CB 4.42Å; E105-A138 PolarHBondContact N-O 3.2Å; E105-A138 WeakPolarHBondContact OE2-CB 3.43Å |
| 106 | R | 87.4 | Confident | 91 | Very high | 80 Ų | 80 | 54.4 Ų | 54.4 | 30% | 0.302 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 125.2 | 178.2 | -176.9 | -175.6 | -67.6 | -105.6 | 0 | 109.6 | G108 L109 S130 E135 | R106-G108 PolarHBondContact O-N 2.86Å; R106-G108 VanDerWaalsContact O-N 3.1Å; R106-L109 PolarHBondContact N-O 2.85Å; R106-L109 WeakPolarHBondContact O-CA 3.4Å; R106-L109 WeakPolarHBondContact O-CB 3.07Å; R106-L109 PolarHBondContact O-N 2.8Å; R106-S130 PolarHBondContact NH2-O 2.85Å; R106-E135 IonicContact NH1-OE2 3.8Å |
| 107 | D | 84.1 | Confident | 90.5 | Very high | 134 Ų | 134 | 50.9 Ų | 50.9 | 72% | 0.717 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 34.3 | 178.3 | -55.2 | -42 | 0 | 0 | 0 | 114.2 | L109 | D107-L109 PolarHBondContact O-N 3.1Š|
| 108 | G | 84.1 | Confident | 89.6 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 72% | 0.722 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 1.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R106 | R106-G108 PolarHBondContact O-N 2.86Å; R106-G108 VanDerWaalsContact O-N 3.1Å |
| 109 | L | 90.3 | Very high | 88.5 | Confident | 131 Ų | 131 | 65.2 Ų | 65.2 | 69% | 0.686 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 149.7 | 173.5 | -59.9 | 174.3 | 0 | 0 | 0 | 110.9 | E105 R106 D107 | E105-L109 WeakPolarHBondContact CA-O 3.26Å; R106-L109 PolarHBondContact N-O 2.85Å; R106-L109 WeakPolarHBondContact O-CA 3.4Å; R106-L109 WeakPolarHBondContact O-CB 3.07Å; R106-L109 PolarHBondContact O-N 2.8Å; D107-L109 PolarHBondContact O-N 3.1Å |
| 110 | L | 93.3 | Very high | 87.5 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 42% | 0.424 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 109.9 | 175 | -65 | -178.9 | 0 | 0 | 0 | 109.8 | Y103 L104 E105 F140 | Y103-L110 HydrophobicContact CD1-CB 4.04Å; Y103-L110 HydrophobicContact CG-CB 4.22Å; L104-L110 WeakPolarHBondContact O-CA 3.36Å; E105-L110 HydrophobicContact CB-CD2 3.94Å; E105-L110 HydrophobicContact CG-CD2 4.2Å; L110-F140 HydrophobicContact CD1-CB 4.49Å; L110-F140 HydrophobicContact CD1-CD1 3.82Å; L110-F140 HydrophobicContact CD1-CE1 4.25Å; L110-F140 HydrophobicContact CD1-CG 4.2Å; L110-F140 HydrophobicContact CD2-CB 3.75Å; L110-F140 HydrophobicContact CD2-CG 4.23Å |
| 111 | E | 92.8 | Very high | 86.6 | Confident | 113 Ų | 113 | 72 Ų | 72 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.4 | 175.8 | -178 | -172.5 | 169.8 | 0 | 0 | 109.9 | Y103 L104 L113 | Y103-E111 CarbonylContact C-O 3.27Å; Y103-E111 WeakPolarHBondContact CA-O 3.4Å; L104-E111 HydrophobicContact CB-CB 4.34Å; L104-E111 PolarHBondContact N-O 2.84Å; L104-E111 PolarHBondContact O-N 2.83Å; E111-L113 PolarHBondContact O-N 2.94Å |
| 112 | L | 92.4 | Very high | 85.5 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 117.9 | -178.2 | -178.1 | 69.6 | 0 | 0 | 0 | 111.3 | Q101 Y103 V114 | Q101-L112 HydrophobicContact CB-CD1 4.13Å; Y103-L112 HydrophobicContact CD1-CB 3.98Å; Y103-L112 HydrophobicContact CD1-CD1 3.98Å; Y103-L112 HydrophobicContact CE1-CB 3.86Å; Y103-L112 HydrophobicContact CE1-CD1 3.54Å; Y103-L112 HydrophobicContact CE1-CG 4.29Å; Y103-L112 HydrophobicContact CE2-CD1 4.28Å; L112-V114 WeakPolarHBondContact CD1-O 3.32Å |
| 113 | L | 90.8 | Very high | 84.4 | Confident | 22 Ų | 22 | 77.8 Ų | 77.8 | 12% | 0.115 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -44.2 | 174.4 | -64 | -178.4 | 0 | 0 | 0 | 112.2 | V91 L102 L104 E111 F129 L139 | V91-L113 HydrophobicContact CG2-CD1 4.4Å; L102-L113 HydrophobicContact CG-CB 4.5Å; L102-L113 PolarHBondContact O-N 2.79Å; L104-L113 HydrophobicContact CB-CD1 3.93Å; L104-L113 HydrophobicContact CB-CD2 4.05Å; L104-L113 HydrophobicContact CB-CG 3.92Å; E111-L113 PolarHBondContact O-N 2.94Å; L113-F129 HydrophobicContact CD1-CD1 3.92Å; L113-F129 HydrophobicContact CD1-CE1 3.59Å; L113-F129 HydrophobicContact CD1-CZ 4.37Å; L113-F129 HydrophobicContact CD2-CD1 4.35Å; L113-L139 HydrophobicContact CD1-CD2 3.67Å |
| 114 | V | 91 | Very high | 83.5 | Confident | 13 Ų | 13 | 76.8 Ų | 76.8 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 116.6 | -175.8 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | P93 F97 Q101 L102 L112 | P93-V114 HydrophobicContact CB-CG1 4.32Å; P93-V114 HydrophobicContact CG-CB 4.39Å; P93-V114 HydrophobicContact CG-CG1 3.86Å; P93-V114 HydrophobicContact CG-CG2 3.62Å; F97-V114 HydrophobicContact CD1-CG1 3.97Å; F97-V114 HydrophobicContact CE1-CB 4.46Å; F97-V114 HydrophobicContact CE1-CG1 3.84Å; F97-V114 HydrophobicContact CZ-CG1 4.49Å; Q101-V114 WeakPolarHBondContact CA-O 3.14Å; L102-V114 HydrophobicContact CB-CB 3.93Å; L102-V114 HydrophobicContact CB-CG2 4.22Å; L102-V114 HydrophobicContact CD2-CG2 3.94Å; L102-V114 PolarHBondContact N-O 2.83Å; L102-V114 PolarHBondContact O-N 2.75Å; L102-V114 VanDerWaalsContact O-N 3.1Å; L112-V114 WeakPolarHBondContact CD1-O 3.32Å |
| 115 | G | 90.2 | Very high | 83 | Confident | 27 Ų | 27 | 80 Ų | 80 | 28% | 0.278 | 45% | 0.448 | S | S | . | . | trans | -74.3 | 168 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R117 | G115-R117 PolarHBondContact O-N 3.39Š| ||
| 116 | D | 87.2 | Confident | 82.7 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 29% | 0.289 | 44% | 0.443 | S | S | . | . | trans | -70 | 126 | 168.6 | -168.2 | 9.4 | 0 | 0 | 0 | 108.8 | G99 A100 Q101 T144 | G99-D116 PolarHBondContact N-OD1 2.95Å; A100-D116 WeakPolarHBondContact O-CA 3.23Å; Q101-D116 HydrophobicContact CG-CB 4.06Å; D116-T144 WeakPolarHBondContact CB-OG1 3.4Å; D116-T144 VanDerWaalsContact CG-OG1 3.23Å; D116-T144 WeakPolarHBondContact OD2-CB 3.47Å; D116-T144 VanDerWaalsContact OD2-CG2 3.3Å; D116-T144 WeakPolarHBondContact OD2-CG2 3.34Å; D116-T144 PolarHBondContact OD2-OG1 3.07Å | ||
| 117 | R | 76.8 | Confident | 82.6 | Confident | 45 Ų | 45 | 78.6 Ų | 78.6 | 17% | 0.17 | 44% | 0.442 | C | S | . | . | trans | -104.5 | 133.6 | -170.6 | -67.2 | 165 | 57.9 | 90.7 | 11.2 | 109.2 | G115 S121 P122 P124 | G115-R117 PolarHBondContact O-N 3.39Å; R117-S121 PolarHBondContact NH2-O 2.73Å; R117-P122 PolarHBondContact NH1-O 3.06Å; R117-P122 VanDerWaalsContact NH2-C 3.3Å; R117-P122 PolarHBondContact NH2-O 2.88Å; R117-P124 VanDerWaalsContact CZ-N 3.34Å; R117-P124 VanDerWaalsContact NH1-N 3.12Å | ||
| 118 | M | 72.2 | Confident | 82.7 | Confident | 153 Ų | 153 | 73.5 Ų | 73.5 | 75% | 0.754 | 42% | 0.417 | S | S | * | . | trans | -82.4 | 156.1 | 163.5 | -62.4 | 179.9 | 93.5 | 0 | 0 | 109.6 | A120 S121 | M118-A120 PolarHBondContact O-N 3.03Å; M118-S121 PolarHBondContact N-OG 2.61Å; M118-S121 VanDerWaalsContact N-OG 3.14Å; M118-S121 WeakPolarHBondContact O-CB 3.37Å; M118-S121 PolarHBondContact O-N 2.88Å; M118-S121 PolarHBondContact O-OG 2.92Å | ||
| 119 | E | 68.4 | Low | 82.8 | Confident | 209 Ų | 209 | 71 Ų | 71 | 98% | 0.977 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.9 | -176.7 | -158.8 | 163.7 | -160.6 | 0 | 0 | 113.7 | S121 | E119-S121 VanDerWaalsContact C-N 3.34Š|
| 120 | A | 69.7 | Low | 82.3 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 86% | 0.86 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 0.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M118 | M118-A120 PolarHBondContact O-N 3.03Š|
| 121 | S | 75.6 | Confident | 81.6 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 29% | 0.287 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -75 | 144.2 | -176 | -50.1 | 0 | 0 | 0 | 0 | 111.5 | R117 M118 E119 | R117-S121 PolarHBondContact NH2-O 2.73Å; M118-S121 PolarHBondContact N-OG 2.61Å; M118-S121 VanDerWaalsContact N-OG 3.14Å; M118-S121 WeakPolarHBondContact O-CB 3.37Å; M118-S121 PolarHBondContact O-N 2.88Å; M118-S121 PolarHBondContact O-OG 2.92Å; E119-S121 VanDerWaalsContact C-N 3.34Å |
| 122 | P | 73.2 | Confident | 80.7 | Confident | 105 Ų | 105 | 63.8 Ų | 63.8 | 68% | 0.682 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 145.2 | 178 | 26.2 | -34.8 | 0 | 0 | 0 | 110.9 | R117 | R117-P122 PolarHBondContact NH1-O 3.06Å; R117-P122 VanDerWaalsContact NH2-C 3.3Å; R117-P122 PolarHBondContact NH2-O 2.88Å |
| 123 | P | 72.5 | Confident | 79.7 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 145.1 | -169.6 | -30.3 | 34.6 | 0 | 0 | 0 | 115.1 | R125 | P123-R125 PolarHBondContact O-N 2.89Š|
| 124 | P | 76.3 | Confident | 78.8 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 127.1 | -178.7 | 8.8 | -1.3 | 0 | 0 | 0 | 110.7 | P93 S94 E95 R117 | P93-P124 HydrophobicContact CB-CB 3.61Å; P93-P124 HydrophobicContact CB-CG 4.13Å; P93-P124 HydrophobicContact CG-CB 3.82Å; S94-P124 WeakPolarHBondContact O-CG 3.25Å; E95-P124 VanDerWaalsContact OE2-CD 3.23Å; E95-P124 WeakPolarHBondContact OE2-CD 3.08Å; R117-P124 VanDerWaalsContact CZ-N 3.34Å; R117-P124 VanDerWaalsContact NH1-N 3.12Å |
| 125 | R | 82.1 | Confident | 78.3 | Confident | 76 Ų | 76 | 68 Ų | 68 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 151.5 | 177.6 | -56.7 | -174.8 | 82.8 | -159.9 | -4.6 | 109.8 | P123 T212 | P123-R125 PolarHBondContact O-N 2.89Å; R125-T212 VanDerWaalsContact CZ-O 3.27Å; R125-T212 PolarHBondContact NE-O 2.71Å; R125-T212 PolarHBondContact NH2-O 3.17Å |
| 126 | V | 85.8 | Confident | 77.8 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 13% | 0.127 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 136.1 | 170 | 177.3 | 0 | 0 | 0 | 0 | 109 | C90 V91 K92 F268 | C90-V126 HydrophobicContact CB-CG1 4.01Å; V91-V126 WeakPolarHBondContact O-CA 3.24Å; K92-V126 HydrophobicContact CB-CG2 4Å; K92-V126 HydrophobicContact CD-CG2 4.06Å; K92-V126 HydrophobicContact CG-CG2 3.91Å; V126-F268 HydrophobicContact CG1-CD2 4.27Å; V126-F268 HydrophobicContact CG1-CE2 3.67Å; V126-F268 HydrophobicContact CG2-CD2 3.94Å; V126-F268 HydrophobicContact CG2-CE2 4.07Å |
| 127 | R | 86.9 | Confident | 77.9 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 29% | 0.287 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.5 | 173 | -64.8 | -68.3 | 177.9 | -118.4 | -1.2 | 109.3 | C90 V91 D171 | C90-R127 CarbonylContact C-O 3.59Å; C90-R127 WeakPolarHBondContact CA-O 3.22Å; V91-R127 HydrophobicContact CG2-CB 3.91Å; V91-R127 PolarHBondContact N-O 3.37Å; V91-R127 PolarHBondContact O-N 3.49Å; R127-D171 IonicContact NH1-OD2 3.71Å; R127-D171 PolarHBondContact NH1-OD2 2.86Å |
| 128 | C | 85.8 | Confident | 78.6 | Confident | 28 Ų | 28 | 71.6 Ų | 71.6 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.6 | 178.8 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | T88 A89 C90 | T88-C128 HydrophobicContact CG2-CB 4.25Å; A89-C128 CarbonylContact O-C 3.48Å; A89-C128 VanDerWaalsContact O-CA 3.24Å; A89-C128 WeakPolarHBondContact O-CA 3.17Å; C90-C128 HydrophobicContact CB-CB 4.13Å; C90-C128 WeakPolarHBondContact CB-SG 3.46Å; C90-C128 WeakPolarHBondContact SG-CB 3.48Å; C90-C128 CovalentContact SG-SG 2.04Å; C90-C128 PolarHBondContact SG-SG 3.41Å |
| 129 | F | 85.2 | Confident | 79.7 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 8% | 0.075 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 147.4 | 179.1 | 49.9 | -87.3 | 0 | 0 | 0 | 109.6 | T88 A89 V91 L104 L113 L137 L139 | T88-F129 WeakPolarHBondContact CA-O 3.31Å; A89-F129 HydrophobicContact CB-CD2 4.22Å; A89-F129 HydrophobicContact CB-CE1 4.35Å; A89-F129 HydrophobicContact CB-CE2 3.63Å; A89-F129 HydrophobicContact CB-CZ 3.68Å; A89-F129 PolarHBondContact N-O 2.81Å; A89-F129 PolarHBondContact O-N 2.85Å; V91-F129 HydrophobicContact CG1-CE1 4.41Å; L104-F129 HydrophobicContact CD1-CD2 3.51Å; L104-F129 HydrophobicContact CD1-CE2 3.43Å; L104-F129 VanDerWaalsContact CD1-CE2 3.43Å; L104-F129 HydrophobicContact CD1-CG 4.13Å; L104-F129 HydrophobicContact CD1-CZ 4.03Å; L104-F129 HydrophobicContact CD2-CB 3.89Å; L104-F129 HydrophobicContact CD2-CD2 3.93Å; L104-F129 HydrophobicContact CD2-CG 3.87Å; L104-F129 HydrophobicContact CG-CD2 4.37Å; L113-F129 HydrophobicContact CD1-CD1 3.92Å; L113-F129 HydrophobicContact CD1-CE1 3.59Å; L113-F129 HydrophobicContact CD1-CZ 4.37Å; L113-F129 HydrophobicContact CD2-CD1 4.35Å; F129-L137 HydrophobicContact CD2-CD1 4.47Å; F129-L137 HydrophobicContact CE2-CD1 3.94Å; F129-L137 HydrophobicContact CE2-CD2 3.72Å; F129-L137 HydrophobicContact CE2-CG 3.77Å; F129-L137 HydrophobicContact CZ-CD2 4.04Å; F129-L139 HydrophobicContact CE1-CD2 4.13Å; F129-L139 HydrophobicContact CE2-CD2 4.42Å; F129-L139 HydrophobicContact CZ-CD1 4.39Å; F129-L139 HydrophobicContact CZ-CD2 3.66Å; F129-L139 HydrophobicContact CZ-CG 4.29Å |
| 130 | S | 80.1 | Confident | 81 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.4 | -179.1 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | I87 R106 | I87-S130 WeakPolarHBondContact O-CA 3.3Å; R106-S130 PolarHBondContact NH2-O 2.85Å |
| 131 | R | 77.9 | Confident | 82.3 | Confident | 57 Ų | 57 | 51 Ų | 51 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.8 | 176.5 | 173.5 | -125.9 | 165.2 | 170.1 | 0.2 | 109.1 | V86 I87 E135 L137 | V86-R131 WeakPolarHBondContact CA-O 3.2Å; I87-R131 PolarHBondContact N-O 2.86Å; I87-R131 PolarHBondContact O-N 2.85Å; R131-E135 HydrophobicContact CG-CB 3.69Å; R131-E135 PolarHBondContact NE-O 2.94Å; R131-E135 PolarHBondContact NH2-O 2.95Å; R131-L137 HydrophobicContact CB-CD1 4.03Å |
| 132 | T | 75.2 | Confident | 83.2 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | trans | -79.5 | 160.2 | 173 | 73.1 | 0 | 0 | 0 | 0 | 111.1 | G134 E135 | T132-G134 PolarHBondContact O-N 2.63Å; T132-E135 PolarHBondContact N-OE2 2.88Å; T132-E135 VanDerWaalsContact N-OE2 3.09Å; T132-E135 PolarHBondContact O-N 3.07Å; T132-E135 PolarHBondContact OG1-OE1 2.79Å; T132-E135 PolarHBondContact OG1-OE2 3.41Å | ||
| 133 | P | 71.8 | Confident | 84.2 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 126.2 | 175.4 | -23 | 33.8 | 0 | 0 | 0 | 111.3 | ||
| 134 | G | 71 | Confident | 85.1 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 74% | 0.742 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104.6 | -25.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T132 | T132-G134 PolarHBondContact O-N 2.63Š|
| 135 | E | 79.8 | Confident | 85.6 | Confident | 52 Ų | 52 | 51.8 Ų | 51.8 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | trans | -69.6 | 168.1 | 176.1 | -71.2 | 165.5 | -169.2 | 0 | 0 | 112 | R106 R131 T132 | R106-E135 IonicContact NH1-OE2 3.8Å; R131-E135 HydrophobicContact CG-CB 3.69Å; R131-E135 PolarHBondContact NE-O 2.94Å; R131-E135 PolarHBondContact NH2-O 2.95Å; T132-E135 PolarHBondContact N-OE2 2.88Å; T132-E135 VanDerWaalsContact N-OE2 3.09Å; T132-E135 PolarHBondContact O-N 3.07Å; T132-E135 PolarHBondContact OG1-OE1 2.79Å; T132-E135 PolarHBondContact OG1-OE2 3.41Å | ||
| 136 | R | 81.5 | Confident | 85.6 | Confident | 191 Ų | 191 | 52.9 Ų | 52.9 | 72% | 0.721 | 29% | 0.29 | S | S | * | . | trans | -102.7 | 145.7 | 167.5 | -69.6 | -171.1 | -175.7 | 94.1 | -1.8 | 109.2 | A138 | R136-A138 PolarHBondContact O-N 2.9Š| ||
| 137 | L | 87.9 | Confident | 85.2 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 88.2 | 172.4 | -155.3 | 134.4 | 0 | 0 | 0 | 108.7 | L70 A89 F129 R131 L160 | L70-L137 HydrophobicContact CB-CB 4.48Å; L70-L137 HydrophobicContact CB-CD2 3.6Å; L70-L137 HydrophobicContact CD1-CD2 3.63Å; L70-L137 HydrophobicContact CG-CD2 4.02Å; L70-L137 PolarHBondContact N-O 3.02Å; A89-L137 HydrophobicContact CB-CD1 3.41Å; A89-L137 VanDerWaalsContact CB-CD1 3.41Å; A89-L137 HydrophobicContact CB-CD2 3.58Å; A89-L137 HydrophobicContact CB-CG 4.08Å; F129-L137 HydrophobicContact CD2-CD1 4.47Å; F129-L137 HydrophobicContact CE2-CD1 3.94Å; F129-L137 HydrophobicContact CE2-CD2 3.72Å; F129-L137 HydrophobicContact CE2-CG 3.77Å; F129-L137 HydrophobicContact CZ-CD2 4.04Å; R131-L137 HydrophobicContact CB-CD1 4.03Å; L137-L160 HydrophobicContact CD1-CD2 4.34Å; L137-L160 HydrophobicContact CD2-CD2 3.95Å |
| 138 | A | 92.4 | Very high | 85 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L68 E105 R136 | L68-A138 CarbonylContact O-C 3.46Å; L68-A138 VanDerWaalsContact O-CA 3.32Å; L68-A138 WeakPolarHBondContact O-CA 3.38Å; E105-A138 HydrophobicContact CB-CB 3.92Å; E105-A138 HydrophobicContact CG-CB 4.42Å; E105-A138 PolarHBondContact N-O 3.2Å; E105-A138 WeakPolarHBondContact OE2-CB 3.43Å; R136-A138 PolarHBondContact O-N 2.9Å |
| 139 | L | 95.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.3 | 175 | -68.2 | 176 | 0 | 0 | 0 | 108.6 | L68 L70 V91 L102 Y103 L104 L113 F129 F156 | L68-L139 HydrophobicContact CB-CB 4.24Å; L68-L139 HydrophobicContact CD2-CB 4.47Å; L68-L139 HydrophobicContact CD2-CD1 4.22Å; L68-L139 PolarHBondContact N-O 2.94Å; L68-L139 PolarHBondContact O-N 2.89Å; L70-L139 HydrophobicContact CD1-CD1 3.95Å; V91-L139 HydrophobicContact CG1-CD1 3.81Å; L102-L139 HydrophobicContact CD1-CB 4.05Å; L102-L139 HydrophobicContact CD1-CD1 4.37Å; L102-L139 HydrophobicContact CD1-CD2 4.48Å; Y103-L139 CarbonylContact O-C 3.52Å; Y103-L139 VanDerWaalsContact O-CA 3.29Å; Y103-L139 WeakPolarHBondContact O-CA 3.32Å; Y103-L139 WeakPolarHBondContact O-CD2 3.4Å; L104-L139 HydrophobicContact CD1-CD2 4.22Å; L113-L139 HydrophobicContact CD1-CD2 3.67Å; F129-L139 HydrophobicContact CE1-CD2 4.13Å; F129-L139 HydrophobicContact CE2-CD2 4.42Å; F129-L139 HydrophobicContact CZ-CD1 4.39Å; F129-L139 HydrophobicContact CZ-CD2 3.66Å; F129-L139 HydrophobicContact CZ-CG 4.29Å; L139-F156 HydrophobicContact CD1-CE2 4.2Å; L139-F156 HydrophobicContact CD1-CZ 4.3Å |
| 140 | F | 95.8 | Very high | 84.7 | Confident | 33 Ų | 33 | 69.9 Ų | 69.9 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.5 | 176.7 | -169.4 | -99.7 | 0 | 0 | 0 | 109.3 | V45 A65 L66 R67 Y103 L110 Q142 | V45-F140 HydrophobicContact CG1-CE2 3.83Å; V45-F140 HydrophobicContact CG2-CE2 4.35Å; A65-F140 HydrophobicContact CB-CE1 3.91Å; A65-F140 HydrophobicContact CB-CE2 3.95Å; A65-F140 HydrophobicContact CB-CZ 3.38Å; L66-F140 WeakPolarHBondContact O-CA 3.44Å; R67-F140 HydrophobicContact CB-CD2 4.31Å; Y103-F140 HydrophobicContact CD2-CD1 4.3Å; Y103-F140 PolarHBondContact N-O 2.89Å; Y103-F140 PolarHBondContact O-N 2.83Å; L110-F140 HydrophobicContact CD1-CB 4.49Å; L110-F140 HydrophobicContact CD1-CD1 3.82Å; L110-F140 HydrophobicContact CD1-CE1 4.25Å; L110-F140 HydrophobicContact CD1-CG 4.2Å; L110-F140 HydrophobicContact CD2-CB 3.75Å; L110-F140 HydrophobicContact CD2-CG 4.23Å; F140-Q142 HydrophobicContact CD1-CB 4.35Å; F140-Q142 HydrophobicContact CE1-CB 4Å |
| 141 | L | 95.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.3 | 173.5 | -73.6 | 89.9 | 0 | 0 | 0 | 109 | L57 W59 A65 L66 Q101 L102 F156 | L57-L141 HydrophobicContact CD1-CD1 4.3Å; L57-L141 HydrophobicContact CD2-CD2 4Å; W59-L141 HydrophobicContact CE3-CB 4.22Å; W59-L141 HydrophobicContact CE3-CD2 4.23Å; W59-L141 HydrophobicContact CZ3-CB 3.94Å; A65-L141 CarbonylContact C-O 3.54Å; A65-L141 WeakPolarHBondContact CA-O 3.28Å; A65-L141 VanDerWaalsContact CB-O 3.22Å; A65-L141 WeakPolarHBondContact CB-O 3.41Å; L66-L141 HydrophobicContact CB-CB 4.17Å; L66-L141 PolarHBondContact N-O 3.12Å; L66-L141 PolarHBondContact O-N 2.93Å; Q101-L141 WeakPolarHBondContact O-CA 3.3Å; L102-L141 HydrophobicContact CD1-CD1 3.57Å; L102-L141 HydrophobicContact CD1-CD2 4.37Å; L102-L141 HydrophobicContact CD1-CG 3.63Å; L141-F156 HydrophobicContact CD1-CE1 4.04Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å; L141-F156 HydrophobicContact CD2-CD1 4.44Å; L141-F156 HydrophobicContact CD2-CE1 3.8Å; L141-F156 HydrophobicContact CG-CE1 4.4Å |
| 142 | Q | 94.7 | Very high | 85.7 | Confident | 80 Ų | 80 | 74.3 Ų | 74.3 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.8 | 176.8 | -174.6 | 173.7 | -25.1 | 0 | 0 | 109.6 | A100 Q101 Y103 F140 | A100-Q142 CarbonylContact C-O 3.45Å; A100-Q142 WeakPolarHBondContact CA-O 3.38Å; A100-Q142 WeakPolarHBondContact CB-O 3.48Å; Q101-Q142 PolarHBondContact N-O 3.48Å; Q101-Q142 PolarHBondContact O-N 2.86Å; Y103-Q142 HydrophobicContact CE2-CB 4.11Å; F140-Q142 HydrophobicContact CD1-CB 4.35Å; F140-Q142 HydrophobicContact CE1-CB 4Å |
| 143 | A | 93.5 | Very high | 86.6 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 137.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W59 P62 G64 | W59-A143 HydrophobicContact CH2-CB 3.88Å; W59-A143 HydrophobicContact CZ3-CB 4.3Å; P62-A143 VanDerWaalsContact C-CB 3.44Å; P62-A143 HydrophobicContact CB-CB 3.78Å; G64-A143 WeakPolarHBondContact O-CB 3.01Å; G64-A143 PolarHBondContact O-N 3.02Å |
| 144 | T | 92.1 | Very high | 87.7 | Confident | 39 Ų | 39 | 68.1 Ų | 68.1 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 125.5 | 171.9 | -52.3 | 0 | 0 | 0 | 0 | 109.1 | G99 D116 H146 | G99-T144 PolarHBondContact O-N 3.09Å; D116-T144 WeakPolarHBondContact CB-OG1 3.4Å; D116-T144 VanDerWaalsContact CG-OG1 3.23Å; D116-T144 WeakPolarHBondContact OD2-CB 3.47Å; D116-T144 VanDerWaalsContact OD2-CG2 3.3Å; D116-T144 WeakPolarHBondContact OD2-CG2 3.34Å; D116-T144 PolarHBondContact OD2-OG1 3.07Å; T144-H146 PolarHBondContact O-N 2.97Å |
| 145 | P | 86.8 | Confident | 88.8 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 77% | 0.766 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 133.7 | 177.8 | -23.5 | 33.5 | 0 | 0 | 0 | 111.6 | ||
| 146 | H | 81.5 | Confident | 89.6 | Confident | 99 Ų | 99 | 63 Ų | 63 | 46% | 0.458 | 31% | 0.306 | S | S | . | . | trans | -151.4 | 155.1 | 176.3 | -167.2 | 75 | 0 | 0 | 0 | 111.7 | T144 D148 R152 | T144-H146 PolarHBondContact O-N 2.97Å; H146-D148 PolarHBondContact CD2-N 3.12Å; H146-D148 IonicContact CD2-OD1 3.35Å; H146-D148 PolarHBondContact CD2-OD1 2.98Å; H146-D148 IonicContact CD2-OD2 3.72Å; H146-D148 PolarHBondContact CD2-OD2 3.33Å; H146-D148 IonicContact CE1-OD2 2.74Å; H146-D148 WeakPolarHBondContact NE2-CB 3.38Å; H146-D148 PolarHBondContact NE2-N 2.72Å; H146-D148 IonicContact NE2-OD1 3.36Å; H146-D148 PolarHBondContact NE2-OD1 3.47Å; H146-D148 VanDerWaalsContact NE2-OD1 3.08Å; H146-D148 IonicContact NE2-OD2 3.64Å; H146-D148 PolarHBondContact NE2-OD2 3.08Å; H146-R152 PolarHBondContact CD2-NH2 3.14Å; H146-R152 PolarHBondContact CE1-NH2 2.54Å; H146-R152 PolarHBondContact ND1-NH1 2.8Å; H146-R152 PolarHBondContact ND1-NH2 3.49Å; H146-R152 VanDerWaalsContact ND1-NH2 3.12Å; H146-R152 PolarHBondContact NE2-NH2 2.82Å | ||
| 147 | Q | 78.3 | Confident | 90.2 | Very high | 201 Ų | 201 | 60.5 Ų | 60.5 | 94% | 0.939 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -99.1 | -17.5 | -172 | -64.3 | -168.7 | -3 | 0 | 0 | 114.9 | ||
| 148 | D | 82.6 | Confident | 90.5 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -89.5 | 169.4 | 174.9 | 77.6 | 23.3 | 0 | 0 | 0 | 113.2 | H146 S150 R152 | H146-D148 PolarHBondContact CD2-N 3.12Å; H146-D148 IonicContact CD2-OD1 3.35Å; H146-D148 PolarHBondContact CD2-OD1 2.98Å; H146-D148 IonicContact CD2-OD2 3.72Å; H146-D148 PolarHBondContact CD2-OD2 3.33Å; H146-D148 IonicContact CE1-OD2 2.74Å; H146-D148 WeakPolarHBondContact NE2-CB 3.38Å; H146-D148 PolarHBondContact NE2-N 2.72Å; H146-D148 IonicContact NE2-OD1 3.36Å; H146-D148 PolarHBondContact NE2-OD1 3.47Å; H146-D148 VanDerWaalsContact NE2-OD1 3.08Å; H146-D148 IonicContact NE2-OD2 3.64Å; H146-D148 PolarHBondContact NE2-OD2 3.08Å; D148-S150 VanDerWaalsContact C-N 3.35Å; D148-S150 VanDerWaalsContact CG-OG 3.26Å; D148-S150 WeakPolarHBondContact OD1-CA 3.49Å; D148-S150 WeakPolarHBondContact OD1-CB 3.5Å; D148-S150 PolarHBondContact OD1-N 2.86Å; D148-S150 PolarHBondContact OD1-OG 3.05Å; D148-S150 PolarHBondContact OD2-OG 3.37Å; D148-R152 IonicContact OD1-NH2 3.94Å; D148-R152 IonicContact OD2-NH2 3.58Å |
| 149 | I | 78.4 | Confident | 90.5 | Very high | 166 Ų | 166 | 60.7 Ų | 60.7 | 85% | 0.851 | 30% | 0.297 | S | S | * | . | trans | -98.9 | 22.7 | 173.8 | 59.3 | 169.3 | 0 | 0 | 0 | 112 | R151 | I149-R151 PolarHBondContact O-N 2.78Š| ||
| 150 | S | 85.9 | Confident | 90.1 | Very high | 47 Ų | 47 | 61 Ų | 61 | 33% | 0.329 | 30% | 0.299 | S | S | . | . | trans | -58.7 | 141.1 | -180 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | D148 R152 | D148-S150 VanDerWaalsContact C-N 3.35Å; D148-S150 VanDerWaalsContact CG-OG 3.26Å; D148-S150 WeakPolarHBondContact OD1-CA 3.49Å; D148-S150 WeakPolarHBondContact OD1-CB 3.5Å; D148-S150 PolarHBondContact OD1-N 2.86Å; D148-S150 PolarHBondContact OD1-OG 3.05Å; D148-S150 PolarHBondContact OD2-OG 3.37Å; S150-R152 PolarHBondContact O-N 3.16Å; S150-R152 VanDerWaalsContact O-N 3.14Å; S150-R152 PolarHBondContact OG-NE 2.98Å; S150-R152 VanDerWaalsContact OG-NE 3.09Å | ||
| 151 | R | 89.1 | Confident | 89.2 | Confident | 159 Ų | 159 | 62 Ų | 62 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | trans | -70.2 | 114.9 | 176.7 | 180 | 178.8 | 172.2 | -171 | -3.4 | 108.8 | Y61 I149 | Y61-R151 VanDerWaalsContact CE1-CA 3.49Å; Y61-R151 HydrophobicContact CE1-CB 3.82Å; Y61-R151 HydrophobicContact CE1-CG 4.1Å; Y61-R151 HydrophobicContact CE2-CG 4.38Å; I149-R151 PolarHBondContact O-N 2.78Å | ||
| 152 | R | 91.1 | Very high | 87.8 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | trans | -118.2 | 148.5 | 172.2 | -54.6 | -174.3 | -178.1 | 176.6 | -4.6 | 110.7 | Y61 H98 H146 D148 S150 | Y61-R152 PolarHBondContact N-O 2.92Å; H98-R152 WeakPolarHBondContact NE2-CA 3.09Å; H146-R152 PolarHBondContact CD2-NH2 3.14Å; H146-R152 PolarHBondContact CE1-NH2 2.54Å; H146-R152 PolarHBondContact ND1-NH1 2.8Å; H146-R152 PolarHBondContact ND1-NH2 3.49Å; H146-R152 VanDerWaalsContact ND1-NH2 3.12Å; H146-R152 PolarHBondContact NE2-NH2 2.82Å; D148-R152 IonicContact OD1-NH2 3.94Å; D148-R152 IonicContact OD2-NH2 3.58Å; S150-R152 PolarHBondContact O-N 3.16Å; S150-R152 VanDerWaalsContact O-N 3.14Å; S150-R152 PolarHBondContact OG-NE 2.98Å; S150-R152 VanDerWaalsContact OG-NE 3.09Å | ||
| 153 | T | 93 | Very high | 85.8 | Confident | 21 Ų | 21 | 62 Ų | 62 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 117.3 | -178.7 | -53.6 | 0 | 0 | 0 | 0 | 109.1 | W59 L60 H98 | W59-T153 WeakPolarHBondContact O-CA 3.34Å; L60-T153 HydrophobicContact CD2-CG2 3.91Å; H98-T153 PolarHBondContact N-O 2.74Å; H98-T153 VanDerWaalsContact N-O 3.12Å; H98-T153 CarbonylContact O-C 3.48Å |
| 154 | A | 94.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 98.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | W59 P62 F97 A100 | W59-A154 HydrophobicContact CB-CB 4.32Å; W59-A154 HydrophobicContact CE3-CB 4.32Å; W59-A154 PolarHBondContact N-O 2.79Å; W59-A154 PolarHBondContact O-N 2.73Å; P62-A154 HydrophobicContact CG-CB 3.93Å; F97-A154 HydrophobicContact CD2-CB 4.15Å; F97-A154 HydrophobicContact CE2-CB 3.72Å; F97-A154 HydrophobicContact CZ-CB 4.16Å; A100-A154 HydrophobicContact CB-CB 3.56Å |
| 155 | S | 95.3 | Very high | 81.5 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.8 | 179.8 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | L57 D58 S94 F97 | L57-S155 CarbonylContact O-C 3.54Å; L57-S155 WeakPolarHBondContact O-CA 3.48Å; L57-S155 WeakPolarHBondContact O-CB 3.36Å; D58-S155 WeakPolarHBondContact OD1-CB 3.46Å; S94-S155 WeakPolarHBondContact CB-O 3.16Å; S94-S155 VanDerWaalsContact CB-OG 3.29Å; S94-S155 WeakPolarHBondContact CB-OG 3.29Å; S94-S155 PolarHBondContact N-O 3.09Å; S94-S155 PolarHBondContact OG-O 2.9Å; S94-S155 PolarHBondContact OG-OG 3.31Å; F97-S155 WeakPolarHBondContact CD2-O 3.28Å |
| 156 | F | 95.5 | Very high | 79.4 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 158 | 177 | 67.1 | -87 | 0 | 0 | 0 | 111.2 | T56 L57 L68 V91 K92 F97 L102 L139 L141 | T56-F156 WeakPolarHBondContact CA-O 3.47Å; L57-F156 HydrophobicContact CB-CD1 4.14Å; L57-F156 HydrophobicContact CB-CE1 3.67Å; L57-F156 HydrophobicContact CB-CE2 4.38Å; L57-F156 HydrophobicContact CB-CZ 3.82Å; L57-F156 HydrophobicContact CD1-CE1 3.96Å; L57-F156 HydrophobicContact CD1-CZ 4.01Å; L57-F156 HydrophobicContact CD2-CD1 4.31Å; L57-F156 HydrophobicContact CD2-CE1 3.8Å; L57-F156 HydrophobicContact CG-CE1 4Å; L57-F156 HydrophobicContact CG-CZ 4.34Å; L57-F156 PolarHBondContact N-O 3.17Å; L57-F156 PolarHBondContact O-N 3.36Å; L68-F156 HydrophobicContact CD2-CE2 4.21Å; L68-F156 HydrophobicContact CD2-CZ 3.65Å; V91-F156 HydrophobicContact CB-CD2 4.06Å; V91-F156 HydrophobicContact CG1-CD2 3.94Å; V91-F156 HydrophobicContact CG1-CE2 3.91Å; K92-F156 WeakPolarHBondContact O-CA 3.11Å; K92-F156 WeakPolarHBondContact O-CB 3.08Å; F97-F156 HydrophobicContact CE2-CD1 4.42Å; L102-F156 HydrophobicContact CD1-CE1 4.23Å; L102-F156 HydrophobicContact CD1-CZ 4.29Å; L139-F156 HydrophobicContact CD1-CE2 4.2Å; L139-F156 HydrophobicContact CD1-CZ 4.3Å; L141-F156 HydrophobicContact CD1-CE1 4.04Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å; L141-F156 HydrophobicContact CD2-CD1 4.44Å; L141-F156 HydrophobicContact CD2-CE1 3.8Å; L141-F156 HydrophobicContact CG-CE1 4.4Å |
| 157 | R | 95.4 | Very high | 77.7 | Confident | 138 Ų | 138 | 61.6 Ų | 61.6 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 147.5 | 168.7 | -53.7 | -167.4 | -176.4 | 163.4 | 1.8 | 109.2 | G55 T56 V91 K92 F268 | G55-R157 WeakPolarHBondContact O-CA 3.2Å; T56-R157 HydrophobicContact CG2-CG 3.98Å; V91-R157 CarbonylContact C-O 3.58Å; V91-R157 VanDerWaalsContact CA-O 3.31Å; V91-R157 WeakPolarHBondContact CA-O 3.29Å; K92-R157 PolarHBondContact N-O 3.49Å; K92-R157 PolarHBondContact O-N 2.96Å; R157-F268 HydrophobicContact CB-CD1 3.69Å; R157-F268 HydrophobicContact CB-CE1 3.58Å; R157-F268 WeakPolarHBondContact O-CE1 3.16Å |
| 158 | Y | 93.5 | Very high | 76.1 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.7 | 172.6 | 72.9 | -88.7 | 0 | 0 | 0 | 111.2 | C31 L50 E54 G55 L70 C90 L160 | C31-Y158 VanDerWaalsContact O-CE1 3.26Å; C31-Y158 WeakPolarHBondContact O-CE1 3.07Å; C31-Y158 PolarHBondContact O-OH 2.95Å; L50-Y158 WeakPolarHBondContact CB-OH 3.34Å; L50-Y158 HydrophobicContact CD1-CD1 4.37Å; L50-Y158 HydrophobicContact CD1-CE1 3.47Å; L50-Y158 VanDerWaalsContact CD1-CE1 3.47Å; E54-Y158 VanDerWaalsContact CA-O 3.28Å; E54-Y158 WeakPolarHBondContact CA-O 3.37Å; G55-Y158 VanDerWaalsContact C-CD1 3.48Å; G55-Y158 VanDerWaalsContact CA-CE1 3.41Å; G55-Y158 PolarHBondContact N-O 3.22Å; G55-Y158 VanDerWaalsContact N-O 3.07Å; G55-Y158 WeakPolarHBondContact O-CD1 3.45Å; G55-Y158 PolarHBondContact O-N 2.94Å; L70-Y158 HydrophobicContact CD1-CD2 3.8Å; L70-Y158 HydrophobicContact CD1-CE2 4.47Å; L70-Y158 HydrophobicContact CD1-CG 3.9Å; L70-Y158 HydrophobicContact CD2-CD1 4.17Å; L70-Y158 HydrophobicContact CD2-CD2 3.89Å; L70-Y158 HydrophobicContact CD2-CE1 4.09Å; L70-Y158 HydrophobicContact CD2-CE2 3.79Å; L70-Y158 HydrophobicContact CD2-CG 4.08Å; L70-Y158 HydrophobicContact CG-CD2 4.42Å; C90-Y158 CarbonylContact O-C 3.52Å; C90-Y158 VanDerWaalsContact O-CA 3.3Å; C90-Y158 WeakPolarHBondContact O-CA 3.44Å; Y158-L160 HydrophobicContact CD2-CG 4.32Å; Y158-L160 HydrophobicContact CE2-CG 4.5Å |
| 159 | E | 91.6 | Very high | 74.3 | Confident | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.6 | 171.5 | -70.9 | -177 | 179.5 | 0 | 0 | 109.6 | S53 E54 A89 C90 H267 F268 | S53-E159 CarbonylContact O-C 3.55Å; S53-E159 WeakPolarHBondContact O-CA 2.92Å; E54-E159 HydrophobicContact CB-CG 4.05Å; A89-E159 CarbonylContact C-O 3.52Å; A89-E159 VanDerWaalsContact CA-O 3.29Å; A89-E159 WeakPolarHBondContact CA-O 3.42Å; C90-E159 PolarHBondContact N-O 2.04Å; C90-E159 PolarHBondContact O-N 2.86Å; E159-H267 IonicContact OE2-CE1 3.17Å; E159-H267 IonicContact OE2-CG 3.83Å; E159-H267 IonicContact OE2-ND1 3.25Å; E159-H267 PolarHBondContact OE2-ND1 2.74Å; E159-F268 HydrophobicContact CB-CE1 4.39Å; E159-F268 HydrophobicContact CB-CZ 4.28Å; E159-F268 HydrophobicContact CG-CD1 4.13Å; E159-F268 HydrophobicContact CG-CE1 3.77Å; E159-F268 HydrophobicContact CG-CZ 4.11Å; E159-F268 VanDerWaalsContact OE1-CA 3.3Å; E159-F268 WeakPolarHBondContact OE1-CA 3.42Å; E159-F268 PolarHBondContact OE1-N 2.92Å |
| 160 | L | 87.1 | Confident | 72.7 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.3 | 172.8 | -48.4 | -179.9 | 0 | 0 | 0 | 108.7 | C52 S53 L70 P72 I87 A89 L137 Y158 | C52-L160 VanDerWaalsContact O-CD1 3.24Å; C52-L160 WeakPolarHBondContact O-CD1 3.31Å; S53-L160 PolarHBondContact O-N 2.93Å; L70-L160 HydrophobicContact CB-CD1 4.08Å; L70-L160 HydrophobicContact CB-CD2 4.06Å; L70-L160 HydrophobicContact CD1-CD2 4.1Å; P72-L160 HydrophobicContact CB-CD1 4.26Å; I87-L160 HydrophobicContact CG2-CB 4.35Å; A89-L160 HydrophobicContact CB-CD2 3.46Å; A89-L160 VanDerWaalsContact CB-CD2 3.46Å; L137-L160 HydrophobicContact CD1-CD2 4.34Å; L137-L160 HydrophobicContact CD2-CD2 3.95Å; Y158-L160 HydrophobicContact CD2-CG 4.32Å; Y158-L160 HydrophobicContact CE2-CG 4.5Å |
| 161 | R | 77.4 | Confident | 70.5 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151.5 | 179 | -65.3 | -167.2 | 128 | -177 | -2.1 | 111.7 | T88 M165 D197 R265 V266 | T88-R161 PolarHBondContact N-O 3.34Å; T88-R161 PolarHBondContact O-N 2.83Å; R161-M165 HydrophobicContact CB-CB 4.35Å; R161-M165 HydrophobicContact CB-CG 3.79Å; R161-M165 HydrophobicContact CG-CG 4.09Å; R161-M165 PolarHBondContact NH1-SD 3.39Å; R161-M165 VanDerWaalsContact NH1-SD 3.39Å; R161-D197 IonicContact NH2-OD2 3.13Å; R161-D197 PolarHBondContact NH2-OD2 3Å; R161-R265 VanDerWaalsContact NH1-CB 3.33Å; R161-V266 PolarHBondContact NH1-O 3.41Å; R161-V266 VanDerWaalsContact NH1-O 3.09Å; R161-V266 PolarHBondContact NH2-O 2.79Å |
| 162 | G | 66.8 | Low | 68.1 | Low | 38 Ų | 38 | 41 Ų | 41 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 170.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W164 M165 | G162-W164 PolarHBondContact O-N 3.45Å; G162-M165 PolarHBondContact O-N 3.38Å |
| 163 | G | 53.1 | Low | 65.7 | Low | 43 Ų | 43 | 47.4 Ų | 47.4 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -50.2 | -3.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | M165 A166 | G163-M165 PolarHBondContact O-N 3.3Å; G163-A166 VanDerWaalsContact O-CB 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.44Å; G163-A166 PolarHBondContact O-N 2.95Å |
| 164 | W | 45.9 | Very low | 63.3 | Low | 126 Ų | 126 | 50.7 Ų | 50.7 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -63.8 | -37 | 172.4 | -172.3 | -91.3 | 0 | 0 | 0 | 112.9 | G162 A166 R167 | G162-W164 PolarHBondContact O-N 3.45Å; W164-A166 PolarHBondContact O-N 2.75Å; W164-R167 WeakPolarHBondContact O-CB 3.37Å; W164-R167 PolarHBondContact O-N 3.46Å; W164-R167 VanDerWaalsContact O-N 3.17Å |
| 165 | M | 48.9 | Very low | 61.2 | Low | 13 Ų | 13 | 52.6 Ų | 52.6 | 6% | 0.064 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -74.7 | -12.5 | 175.1 | -65.5 | -64.9 | -88.5 | 0 | 0 | 113 | R161 G162 G163 R167 M168 A169 H267 | R161-M165 HydrophobicContact CB-CB 4.35Å; R161-M165 HydrophobicContact CB-CG 3.79Å; R161-M165 HydrophobicContact CG-CG 4.09Å; R161-M165 PolarHBondContact NH1-SD 3.39Å; R161-M165 VanDerWaalsContact NH1-SD 3.39Å; G162-M165 PolarHBondContact O-N 3.38Å; G163-M165 PolarHBondContact O-N 3.3Å; M165-R167 PolarHBondContact O-N 3.14Å; M165-M168 CarbonylContact O-C 3.58Å; M165-M168 PolarHBondContact O-N 3.06Å; M165-A169 PolarHBondContact O-N 3.09Å; M165-H267 HydrophobicContact CE-CB 3.8Å; M165-H267 VanDerWaalsContact CE-CG 3.47Å; M165-H267 VanDerWaalsContact CE-ND1 3.31Å; M165-H267 WeakPolarHBondContact CE-ND1 3.31Å |
| 166 | A | 43.5 | Very low | 59.3 | Low | 41 Ų | 41 | 54.4 Ų | 54.4 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -64.5 | -17.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G163 W164 I175 | G163-A166 VanDerWaalsContact O-CB 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.44Å; G163-A166 PolarHBondContact O-N 2.95Å; W164-A166 PolarHBondContact O-N 2.75Å; A166-I175 WeakPolarHBondContact O-CD1 2.99Å; A166-I175 WeakPolarHBondContact O-CG1 3.43Å |
| 167 | R | 45.8 | Very low | 57.5 | Low | 78 Ų | 78 | 61.3 Ų | 61.3 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -81.9 | -6.3 | 169 | -62.3 | -178.1 | 88.5 | 97.7 | -0.2 | 114.5 | W164 M165 I175 D179 | W164-R167 WeakPolarHBondContact O-CB 3.37Å; W164-R167 PolarHBondContact O-N 3.46Å; W164-R167 VanDerWaalsContact O-N 3.17Å; M165-R167 PolarHBondContact O-N 3.14Å; R167-I175 VanDerWaalsContact CA-CD1 3.41Å; R167-I175 WeakPolarHBondContact O-CD1 3.02Å; R167-D179 PolarHBondContact NH2-O 3.45Å; R167-D179 IonicContact NH2-OD1 2.92Å |
| 168 | M | 44.3 | Very low | 55.9 | Low | 32 Ų | 32 | 60.3 Ų | 60.3 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 5.1 | -177.4 | -64.4 | -67.3 | 159 | 0 | 0 | 112.2 | M165 L170 L248 | M165-M168 CarbonylContact O-C 3.58Å; M165-M168 PolarHBondContact O-N 3.06Å; M168-L170 PolarHBondContact O-N 3.28Å; M168-L248 HydrophobicContact SD-CD1 4.45Å; M168-L248 HydrophobicContact SD-CG 4.39Å |
| 169 | A | 43.5 | Very low | 54.7 | Low | 9 Ų | 9 | 63.7 Ų | 63.7 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | trans | -66.5 | 102.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | M165 D171 S172 | M165-A169 PolarHBondContact O-N 3.09Å; A169-D171 PolarHBondContact O-N 3.46Å; A169-S172 WeakPolarHBondContact CB-OG 3.18Å; A169-S172 PolarHBondContact O-N 3.41Å; A169-S172 VanDerWaalsContact O-N 3.09Å | ||
| 170 | L | 46.2 | Very low | 53.7 | Low | 53 Ų | 53 | 63.9 Ų | 63.9 | 28% | 0.277 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -8.8 | -176.1 | -69 | 162.1 | 0 | 0 | 0 | 114.3 | M168 L248 W272 | M168-L170 PolarHBondContact O-N 3.28Å; L170-L248 HydrophobicContact CD2-CD2 3.63Å; L170-W272 HydrophobicContact CD1-CH2 4.05Å; L170-W272 HydrophobicContact CD2-CH2 4.28Å |
| 171 | D | 38.8 | Very low | 53.5 | Low | 79 Ų | 79 | 65.5 Ų | 65.5 | 42% | 0.422 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 5 | -177.6 | -69.5 | -26.8 | 0 | 0 | 0 | 113.7 | R127 A169 | R127-D171 IonicContact NH1-OD2 3.71Å; R127-D171 PolarHBondContact NH1-OD2 2.86Å; A169-D171 PolarHBondContact O-N 3.46Å |
| 172 | S | 38 | Very low | 54 | Low | 53 Ų | 53 | 67.8 Ų | 67.8 | 37% | 0.371 | 38% | 0.375 | S | S | . | . | trans | -100.1 | 107.5 | 176.7 | -55 | 0 | 0 | 0 | 0 | 110.9 | A169 A174 | A169-S172 WeakPolarHBondContact CB-OG 3.18Å; A169-S172 PolarHBondContact O-N 3.41Å; A169-S172 VanDerWaalsContact O-N 3.09Å; S172-A174 PolarHBondContact O-N 2.02Å | ||
| 173 | N | 40.8 | Very low | 55.1 | Low | 180 Ų | 180 | 71.7 Ų | 71.7 | 96% | 0.963 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 20.2 | 172.7 | -84.8 | -14.5 | 0 | 0 | 0 | 115.7 | ||
| 174 | A | 43.1 | Very low | 56.9 | Low | 90 Ų | 90 | 71.3 Ų | 71.3 | 74% | 0.744 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -2.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115 | S172 | S172-A174 PolarHBondContact O-N 2.02Š|
| 175 | I | 50.5 | Low | 59 | Low | 39 Ų | 39 | 69 Ų | 69 | 20% | 0.2 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -107.2 | 113.7 | 174.9 | -42.2 | 140.1 | 0 | 0 | 0 | 107.1 | A166 R167 R177 D179 A180 | A166-I175 WeakPolarHBondContact O-CD1 2.99Å; A166-I175 WeakPolarHBondContact O-CG1 3.43Å; R167-I175 VanDerWaalsContact CA-CD1 3.41Å; R167-I175 WeakPolarHBondContact O-CD1 3.02Å; I175-R177 PolarHBondContact O-N 3.13Å; I175-D179 HydrophobicContact CG2-CB 3.75Å; I175-A180 HydrophobicContact CG2-CB 3.84Å |
| 176 | S | 54.8 | Low | 61.2 | Low | 49 Ų | 49 | 72.8 Ų | 72.8 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | trans | -53.5 | 141.4 | 168.4 | 72.2 | 0 | 0 | 0 | 0 | 108.6 | E178 D179 A180 | S176-E178 PolarHBondContact O-N 3.13Å; S176-D179 PolarHBondContact O-N 2.9Å; S176-D179 WeakPolarHBondContact OG-CB 3.34Å; S176-D179 VanDerWaalsContact OG-CG 3.22Å; S176-D179 PolarHBondContact OG-N 3.03Å; S176-D179 VanDerWaalsContact OG-N 3.11Å; S176-D179 PolarHBondContact OG-OD2 2.93Å; S176-A180 PolarHBondContact O-N 3.28Å | ||
| 177 | R | 58.9 | Low | 63.5 | Low | 150 Ų | 150 | 75.6 Ų | 75.6 | 57% | 0.566 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -54.5 | -31.4 | 178.9 | -171.3 | 176.3 | 66.9 | -169.8 | 3.9 | 110.7 | I175 A180 C181 Q250 | I175-R177 PolarHBondContact O-N 3.13Å; R177-A180 PolarHBondContact O-N 2.73Å; R177-C181 WeakPolarHBondContact O-CB 3.44Å; R177-C181 PolarHBondContact O-N 3.23Å; R177-C181 VanDerWaalsContact O-N 3.12Å; R177-Q250 HydrophobicContact CG-CB 4.11Å; R177-Q250 HydrophobicContact CG-CG 3.95Å |
| 178 | E | 61.7 | Low | 65.6 | Low | 117 Ų | 117 | 74.2 Ų | 74.2 | 55% | 0.547 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.7 | -64.7 | 64.6 | -140 | 0 | 0 | 112.2 | S176 R182 | S176-E178 PolarHBondContact O-N 3.13Å; E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.24Å; E178-R182 PolarHBondContact O-N 3.49Å |
| 179 | D | 67.1 | Low | 67.9 | Low | 72 Ų | 72 | 73.3 Ų | 73.3 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.5 | -31.3 | 177.8 | -83.1 | -51.1 | 0 | 0 | 0 | 113.8 | R167 I175 S176 | R167-D179 PolarHBondContact NH2-O 3.45Å; R167-D179 IonicContact NH2-OD1 2.92Å; I175-D179 HydrophobicContact CG2-CB 3.75Å; S176-D179 PolarHBondContact O-N 2.9Å; S176-D179 WeakPolarHBondContact OG-CB 3.34Å; S176-D179 VanDerWaalsContact OG-CG 3.22Å; S176-D179 PolarHBondContact OG-N 3.03Å; S176-D179 VanDerWaalsContact OG-N 3.11Å; S176-D179 PolarHBondContact OG-OD2 2.93Å |
| 180 | A | 71.9 | Confident | 70.3 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -83.5 | -34.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I175 S176 R177 L248 | I175-A180 HydrophobicContact CG2-CB 3.84Å; S176-A180 PolarHBondContact O-N 3.28Å; R177-A180 PolarHBondContact O-N 2.73Å; A180-L248 HydrophobicContact CB-CD1 3.76Å |
| 181 | C | 82.9 | Confident | 72.5 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -109.1 | 1.4 | -169.7 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | R177 C251 | R177-C181 WeakPolarHBondContact O-CB 3.44Å; R177-C181 PolarHBondContact O-N 3.23Å; R177-C181 VanDerWaalsContact O-N 3.12Å; C181-C251 VanDerWaalsContact CA-SG 3.56Å; C181-C251 HydrophobicContact CB-CB 3.67Å; C181-C251 WeakPolarHBondContact CB-SG 3.5Å; C181-C251 WeakPolarHBondContact SG-CA 3.31Å; C181-C251 WeakPolarHBondContact SG-CB 3.33Å; C181-C251 PolarHBondContact SG-N 2.78Å; C181-C251 VanDerWaalsContact SG-N 3.43Å; C181-C251 CovalentContact SG-SG 2.04Å; C181-C251 PolarHBondContact SG-SG 2.89Å |
| 182 | R | 87.3 | Confident | 75.1 | Confident | 102 Ų | 102 | 72.2 Ų | 72.2 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -64.1 | 144 | 175.5 | 63.8 | 176.7 | -178.1 | 81.8 | -0.8 | 111.3 | E178 E188 | E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.24Å; E178-R182 PolarHBondContact O-N 3.49Å; R182-E188 IonicContact CZ-OE1 3.47Å; R182-E188 IonicContact CZ-OE2 3.76Å; R182-E188 IonicContact NH1-OE1 2.72Å; R182-E188 PolarHBondContact NH1-OE1 2.79Å; R182-E188 IonicContact NH1-OE2 3.77Å; R182-E188 PolarHBondContact NH1-OE2 2.87Å; R182-E188 IonicContact NH2-OE1 2.86Å; R182-E188 PolarHBondContact NH2-OE1 3.48Å; R182-E188 IonicContact NH2-OE2 3.08Å |
| 183 | P | 89.4 | Confident | 77.7 | Confident | 120 Ų | 120 | 69.9 Ų | 69.9 | 78% | 0.779 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 143.8 | 167.3 | -23.5 | 33.9 | 0 | 0 | 0 | 111.4 | ||
| 184 | C | 91 | Very high | 80.1 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 141.9 | 173.5 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | E188 I189 C275 | C184-E188 WeakPolarHBondContact CA-OE2 3.35Å; C184-E188 HydrophobicContact CB-CB 3.9Å; C184-I189 HydrophobicContact CB-CD1 4.49Å; C184-I189 HydrophobicContact CB-CG1 3.75Å; C184-C275 HydrophobicContact CB-CB 3.77Å; C184-C275 WeakPolarHBondContact CB-SG 3.3Å; C184-C275 VanDerWaalsContact SG-CA 3.54Å; C184-C275 WeakPolarHBondContact SG-CB 3.26Å; C184-C275 CovalentContact SG-SG 2.03Å; C184-C275 PolarHBondContact SG-SG 3.09Å |
| 185 | N | 91.8 | Very high | 82.3 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 173.1 | 170.4 | 69.4 | 43.7 | 0 | 0 | 0 | 111.7 | T187 E188 I189 | N185-T187 PolarHBondContact O-N 3.12Å; N185-T187 PolarHBondContact OD1-N 3.38Å; N185-T187 VanDerWaalsContact OD1-N 3.1Å; N185-E188 PolarHBondContact N-OE2 3.47Å; N185-E188 PolarHBondContact ND2-OE2 3.46Å; N185-E188 PolarHBondContact O-N 2.69Å; N185-E188 WeakPolarHBondContact OD1-CB 3.35Å; N185-E188 WeakPolarHBondContact OD1-CG 3.32Å; N185-E188 PolarHBondContact OD1-N 3.13Å; N185-I189 VanDerWaalsContact O-CG1 3.28Å; N185-I189 WeakPolarHBondContact O-CG1 3.29Å; N185-I189 PolarHBondContact O-N 2.7Å |
| 186 | D | 93.8 | Very high | 84.3 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.4 | -45.2 | -176.9 | -74.3 | -28.4 | 0 | 0 | 0 | 113.1 | I189 L190 T285 | D186-I189 PolarHBondContact O-N 3.14Å; D186-L190 VanDerWaalsContact O-CG 3.26Å; D186-L190 WeakPolarHBondContact O-CG 3.5Å; D186-L190 PolarHBondContact O-N 3Å; D186-T285 HydrophobicContact CB-CG2 3.53Å; D186-T285 VanDerWaalsContact CG-CG2 3.45Å; D186-T285 WeakPolarHBondContact OD1-CG2 3.36Å; D186-T285 PolarHBondContact OD1-OG1 3.45Å |
| 187 | T | 91.2 | Very high | 86.1 | Confident | 100 Ų | 100 | 59.5 Ų | 59.5 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.2 | -42.7 | 178.3 | -50.3 | 0 | 0 | 0 | 0 | 111.7 | N185 L190 M191 | N185-T187 PolarHBondContact O-N 3.12Å; N185-T187 PolarHBondContact OD1-N 3.38Å; N185-T187 VanDerWaalsContact OD1-N 3.1Å; T187-L190 PolarHBondContact O-N 2.72Å; T187-M191 WeakPolarHBondContact O-CB 3.28Å; T187-M191 VanDerWaalsContact O-CG 3.31Å; T187-M191 WeakPolarHBondContact O-CG 3.02Å; T187-M191 PolarHBondContact O-N 2.73Å |
| 188 | E | 91.2 | Very high | 87.8 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 23% | 0.229 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.4 | -73 | 171 | 155.2 | 0 | 0 | 111.5 | R182 C184 N185 M191 A192 | R182-E188 IonicContact CZ-OE1 3.47Å; R182-E188 IonicContact CZ-OE2 3.76Å; R182-E188 IonicContact NH1-OE1 2.72Å; R182-E188 PolarHBondContact NH1-OE1 2.79Å; R182-E188 IonicContact NH1-OE2 3.77Å; R182-E188 PolarHBondContact NH1-OE2 2.87Å; R182-E188 IonicContact NH2-OE1 2.86Å; R182-E188 PolarHBondContact NH2-OE1 3.48Å; R182-E188 IonicContact NH2-OE2 3.08Å; C184-E188 WeakPolarHBondContact CA-OE2 3.35Å; C184-E188 HydrophobicContact CB-CB 3.9Å; N185-E188 PolarHBondContact N-OE2 3.47Å; N185-E188 PolarHBondContact ND2-OE2 3.46Å; N185-E188 PolarHBondContact O-N 2.69Å; N185-E188 WeakPolarHBondContact OD1-CB 3.35Å; N185-E188 WeakPolarHBondContact OD1-CG 3.32Å; N185-E188 PolarHBondContact OD1-N 3.13Å; E188-M191 PolarHBondContact O-N 2.69Å; E188-A192 WeakPolarHBondContact O-CB 3.3Å; E188-A192 PolarHBondContact O-N 2.94Å |
| 189 | I | 93.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 176.3 | -69 | 165.1 | 0 | 0 | 0 | 110.3 | C184 N185 D186 M191 A192 V193 P277 F282 | C184-I189 HydrophobicContact CB-CD1 4.49Å; C184-I189 HydrophobicContact CB-CG1 3.75Å; N185-I189 VanDerWaalsContact O-CG1 3.28Å; N185-I189 WeakPolarHBondContact O-CG1 3.29Å; N185-I189 PolarHBondContact O-N 2.7Å; D186-I189 PolarHBondContact O-N 3.14Å; I189-M191 PolarHBondContact O-N 2.8Å; I189-A192 PolarHBondContact O-N 3.05Å; I189-V193 WeakPolarHBondContact O-CG2 3.01Å; I189-V193 PolarHBondContact O-N 3.3Å; I189-P277 HydrophobicContact CD1-CB 3.85Å; I189-P277 HydrophobicContact CD1-CG 4.04Å; I189-P277 HydrophobicContact CG1-CB 4.43Å; I189-P277 HydrophobicContact CG1-CG 4.1Å; I189-P277 HydrophobicContact CG2-CG 4.04Å; I189-F282 HydrophobicContact CG2-CD2 3.55Å; I189-F282 HydrophobicContact CG2-CE2 4.24Å; I189-F282 HydrophobicContact CG2-CG 4.49Å |
| 190 | L | 93.9 | Very high | 90.9 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | -179.9 | -68 | 172.1 | 0 | 0 | 0 | 111.6 | D186 T187 C194 T285 Y286 A289 P296 | D186-L190 VanDerWaalsContact O-CG 3.26Å; D186-L190 WeakPolarHBondContact O-CG 3.5Å; D186-L190 PolarHBondContact O-N 3Å; T187-L190 PolarHBondContact O-N 2.72Å; L190-C194 PolarHBondContact O-SG 3.19Å; L190-C194 VanDerWaalsContact O-SG 3.41Å; L190-T285 HydrophobicContact CD1-CG2 4.29Å; L190-T285 HydrophobicContact CD2-CG2 4.43Å; L190-T285 HydrophobicContact CG-CG2 4.25Å; L190-Y286 HydrophobicContact CD2-CD2 3.85Å; L190-A289 HydrophobicContact CD1-CB 3.64Å; L190-A289 HydrophobicContact CD2-CB 4.32Å; L190-P296 HydrophobicContact CB-CG 4Å; L190-P296 WeakPolarHBondContact O-CG 3.46Å |
| 191 | M | 92.5 | Very high | 92 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.9 | -35.2 | 177 | -70.7 | -58.8 | -63.6 | 0 | 0 | 113.2 | T187 E188 I189 V193 C194 T195 P296 | T187-M191 WeakPolarHBondContact O-CB 3.28Å; T187-M191 VanDerWaalsContact O-CG 3.31Å; T187-M191 WeakPolarHBondContact O-CG 3.02Å; T187-M191 PolarHBondContact O-N 2.73Å; E188-M191 PolarHBondContact O-N 2.69Å; I189-M191 PolarHBondContact O-N 2.8Å; M191-V193 VanDerWaalsContact C-N 3.34Å; M191-V193 PolarHBondContact O-N 2.86Å; M191-C194 PolarHBondContact O-N 3.47Å; M191-C194 VanDerWaalsContact O-N 3.13Å; M191-T195 HydrophobicContact CE-CG2 4.42Å; M191-T195 PolarHBondContact O-N 3.43Å; M191-T195 PolarHBondContact O-OG1 3.11Å; M191-P296 HydrophobicContact SD-CB 3.51Å; M191-P296 VanDerWaalsContact SD-CB 3.51Å; M191-P296 HydrophobicContact SD-CG 3.71Å |
| 192 | A | 91.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | E188 I189 C194 T195 S196 T263 C275 | E188-A192 WeakPolarHBondContact O-CB 3.3Å; E188-A192 PolarHBondContact O-N 2.94Å; I189-A192 PolarHBondContact O-N 3.05Å; A192-C194 PolarHBondContact O-N 2.81Å; A192-C194 VanDerWaalsContact O-N 3.13Å; A192-T195 PolarHBondContact O-N 3.5Å; A192-S196 WeakPolarHBondContact O-CB 3.41Å; A192-S196 PolarHBondContact O-N 3.34Å; A192-S196 PolarHBondContact O-OG 2.87Å; A192-T263 HydrophobicContact CB-CG2 4.43Å; A192-C275 HydrophobicContact CB-CB 4.46Å |
| 193 | V | 93.7 | Very high | 93 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.8 | -35 | 174.3 | 171 | 0 | 0 | 0 | 0 | 112 | I189 M191 R227 L261 T263 F282 L299 | I189-V193 WeakPolarHBondContact O-CG2 3.01Å; I189-V193 PolarHBondContact O-N 3.3Å; M191-V193 VanDerWaalsContact C-N 3.34Å; M191-V193 PolarHBondContact O-N 2.86Å; V193-R227 PolarHBondContact O-NH2 2.83Å; V193-L261 HydrophobicContact CG2-CD2 3.79Å; V193-T263 HydrophobicContact CG2-CG2 4.37Å; V193-F282 HydrophobicContact CG2-CE2 3.74Å; V193-F282 HydrophobicContact CG2-CZ 4.05Å; V193-L299 HydrophobicContact CG1-CB 3.96Å; V193-L299 HydrophobicContact CG1-CD1 3.81Å; V193-L299 HydrophobicContact CG1-CD2 3.82Å; V193-L299 HydrophobicContact CG1-CG 4.07Å |
| 194 | C | 91.2 | Very high | 93.3 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -86 | -30.9 | -177.8 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | L190 M191 A192 R227 P296 C297 | L190-C194 PolarHBondContact O-SG 3.19Å; L190-C194 VanDerWaalsContact O-SG 3.41Å; M191-C194 PolarHBondContact O-N 3.47Å; M191-C194 VanDerWaalsContact O-N 3.13Å; A192-C194 PolarHBondContact O-N 2.81Å; A192-C194 VanDerWaalsContact O-N 3.13Å; C194-R227 PolarHBondContact O-NH1 2.98Å; C194-P296 VanDerWaalsContact SG-CG 3.58Å; C194-C297 WeakPolarHBondContact CA-SG 3.26Å; C194-C297 HydrophobicContact CB-CB 3.85Å; C194-C297 WeakPolarHBondContact CB-SG 3.19Å; C194-C297 WeakPolarHBondContact SG-CB 3.44Å; C194-C297 PolarHBondContact SG-N 2.68Å; C194-C297 CovalentContact SG-SG 2.02Å; C194-C297 PolarHBondContact SG-SG 3.34Å |
| 195 | T | 89.7 | Confident | 93.4 | Very high | 71 Ų | 71 | 40 Ų | 40 | 44% | 0.436 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -111.1 | -10.7 | -167.7 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | M191 A192 R265 | M191-T195 HydrophobicContact CE-CG2 4.42Å; M191-T195 PolarHBondContact O-N 3.43Å; M191-T195 PolarHBondContact O-OG1 3.11Å; A192-T195 PolarHBondContact O-N 3.5Å; T195-R265 PolarHBondContact O-NH1 3.1Å |
| 196 | S | 91.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | trans | -67.3 | 151.1 | 179.9 | -77.4 | 0 | 0 | 0 | 0 | 114 | A192 F198 R227 G264 | A192-S196 WeakPolarHBondContact O-CB 3.41Å; A192-S196 PolarHBondContact O-N 3.34Å; A192-S196 PolarHBondContact O-OG 2.87Å; S196-F198 WeakPolarHBondContact CB-O 3.19Å; S196-F198 PolarHBondContact O-N 3.33Å; S196-R227 VanDerWaalsContact N-NH2 3.14Å; S196-R227 PolarHBondContact O-NE 2.77Å; S196-R227 PolarHBondContact O-NH2 2.8Å; S196-G264 CarbonylContact C-O 3.41Å; S196-G264 VanDerWaalsContact CA-O 3.24Å; S196-G264 WeakPolarHBondContact CA-O 3.19Å; S196-G264 WeakPolarHBondContact CB-O 3.23Å; S196-G264 PolarHBondContact OG-N 2.84Å; S196-G264 VanDerWaalsContact OG-N 3.16Å; S196-G264 PolarHBondContact OG-O 3.19Å | ||
| 197 | D | 92.4 | Very high | 93.6 | Very high | 33 Ų | 33 | 35.2 Ų | 35.2 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -71.9 | -24.5 | 172.2 | -64.6 | -39.9 | 0 | 0 | 0 | 111.1 | R161 Q228 K229 G264 R265 V266 | R161-D197 IonicContact NH2-OD2 3.13Å; R161-D197 PolarHBondContact NH2-OD2 3Å; D197-Q228 CarbonylContact O-C 3.6Å; D197-Q228 WeakPolarHBondContact O-CA 3.19Å; D197-K229 HydrophobicContact CB-CB 4.04Å; D197-K229 PolarHBondContact O-N 2.03Å; D197-G264 PolarHBondContact N-O 2.91Å; D197-R265 VanDerWaalsContact OD2-CA 3.31Å; D197-R265 WeakPolarHBondContact OD2-CA 3.43Å; D197-R265 WeakPolarHBondContact OD2-CB 3.49Å; D197-R265 WeakPolarHBondContact OD2-CD 3.34Å; D197-V266 HydrophobicContact CB-CB 4.31Å; D197-V266 HydrophobicContact CB-CG2 3.82Å; D197-V266 PolarHBondContact OD2-N 2.94Å |
| 198 | F | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 149.3 | 174.1 | 67.7 | -88.7 | 0 | 0 | 0 | 112.5 | S196 V200 R227 Q228 L232 F233 V245 F262 T263 G264 A271 | S196-F198 WeakPolarHBondContact CB-O 3.19Å; S196-F198 PolarHBondContact O-N 3.33Å; F198-V200 HydrophobicContact CD2-CG2 4.32Å; F198-R227 CarbonylContact C-O 3.56Å; F198-R227 VanDerWaalsContact CA-O 3.25Å; F198-R227 WeakPolarHBondContact CA-O 3.48Å; F198-Q228 HydrophobicContact CB-CB 4.16Å; F198-L232 HydrophobicContact CB-CD1 3.98Å; F198-L232 HydrophobicContact CD1-CD1 3.96Å; F198-L232 HydrophobicContact CG-CD1 4.19Å; F198-F233 HydrophobicContact CD2-CE2 4.27Å; F198-V245 HydrophobicContact CE2-CG2 4.35Å; F198-V245 HydrophobicContact CZ-CG1 4.11Å; F198-F262 HydrophobicContact CE2-CB 4.17Å; F198-T263 WeakPolarHBondContact O-CA 3.49Å; F198-G264 VanDerWaalsContact CE1-CA 3.44Å; F198-G264 VanDerWaalsContact CZ-CA 3.48Å; F198-G264 PolarHBondContact O-N 3.03Å; F198-A271 HydrophobicContact CD1-CB 4.13Å; F198-A271 HydrophobicContact CE1-CB 3.64Å; F198-A271 HydrophobicContact CZ-CB 3.97Å |
| 199 | V | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 112 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | F226 R227 L261 F262 T263 L299 | V199-F226 HydrophobicContact CB-CB 4.21Å; V199-F226 HydrophobicContact CG1-CB 4.13Å; V199-F226 HydrophobicContact CG1-CD2 3.99Å; V199-F226 HydrophobicContact CG1-CG 4.39Å; V199-F226 WeakPolarHBondContact O-CB 3.21Å; V199-F226 PolarHBondContact O-N 3.19Å; V199-R227 HydrophobicContact CB-CB 4.41Å; V199-R227 VanDerWaalsContact CG2-NH2 3.34Å; V199-R227 PolarHBondContact N-O 3.37Å; V199-R227 PolarHBondContact O-N 3.2Å; V199-L261 HydrophobicContact CG1-CD1 3.94Å; V199-L261 HydrophobicContact CG1-CG 4.43Å; V199-F262 WeakPolarHBondContact CA-O 3.47Å; V199-T263 HydrophobicContact CG1-CG2 4.2Å; V199-T263 HydrophobicContact CG2-CG2 4.28Å; V199-L299 HydrophobicContact CG1-CD1 4.39Å |
| 200 | V | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 129.1 | -169 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | F198 A222 V225 F233 L261 F262 | F198-V200 HydrophobicContact CD2-CG2 4.32Å; V200-A222 HydrophobicContact CG1-CB 3.44Å; V200-A222 VanDerWaalsContact CG1-CB 3.44Å; V200-V225 HydrophobicContact CG1-CG2 4.3Å; V200-V225 HydrophobicContact CG2-CB 4.49Å; V200-V225 HydrophobicContact CG2-CG1 4.19Å; V200-V225 HydrophobicContact CG2-CG2 4.22Å; V200-F233 HydrophobicContact CB-CE2 4.32Å; V200-F233 HydrophobicContact CB-CZ 4.27Å; V200-F233 HydrophobicContact CG1-CD1 4.22Å; V200-F233 HydrophobicContact CG1-CE1 4.03Å; V200-F233 HydrophobicContact CG1-CE2 4.48Å; V200-F233 HydrophobicContact CG1-CZ 4.17Å; V200-F233 HydrophobicContact CG2-CD2 3.77Å; V200-F233 HydrophobicContact CG2-CE2 3.65Å; V200-F233 HydrophobicContact CG2-CG 4.34Å; V200-F233 HydrophobicContact CG2-CZ 4.09Å; V200-L261 CarbonylContact O-C 3.59Å; V200-F262 PolarHBondContact N-O 2.9Å; V200-F262 PolarHBondContact O-N 3.06Å |
| 201 | R | 95.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 46 Ų | 46 | 25% | 0.253 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 131.7 | 166 | -178.6 | -172.9 | 175.4 | 179.9 | -3.1 | 108.9 | A222 T223 R224 F226 S259 F260 Y279 D302 | R201-A222 CarbonylContact O-C 3.41Å; R201-A222 WeakPolarHBondContact O-CA 3.43Å; R201-T223 WeakPolarHBondContact CG-OG1 3.12Å; R201-T223 PolarHBondContact O-N 2.96Å; R201-T223 PolarHBondContact O-OG1 3.31Å; R201-R224 HydrophobicContact CB-CB 4.25Å; R201-R224 PolarHBondContact N-O 2.8Å; R201-R224 PolarHBondContact O-N 2.64Å; R201-R224 VanDerWaalsContact O-N 3.13Å; R201-F226 HydrophobicContact CB-CE2 3.88Å; R201-S259 WeakPolarHBondContact CG-OG 3.27Å; R201-F260 WeakPolarHBondContact CA-O 3.4Å; R201-Y279 HydrophobicContact CB-CD2 4.29Å; R201-Y279 HydrophobicContact CB-CE2 4.31Å; R201-Y279 HydrophobicContact CG-CD2 3.82Å; R201-Y279 HydrophobicContact CG-CE2 4.08Å; R201-Y279 HydrophobicContact CG-CG 4.06Å; R201-Y279 VanDerWaalsContact CZ-CE1 3.48Å; R201-D302 IonicContact NH1-OD2 2.75Å; R201-D302 PolarHBondContact NH1-OD2 2.74Å; R201-D302 VanDerWaalsContact NH1-OD2 3.16Å |
| 202 | G | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -170.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S221 S259 F260 | G202-S221 CarbonylContact C-O 3.44Å; G202-S221 WeakPolarHBondContact CA-O 3.04Å; G202-S259 CarbonylContact O-C 3.57Å; G202-S259 WeakPolarHBondContact O-CA 3.41Å; G202-S259 PolarHBondContact O-OG 2.95Å; G202-F260 PolarHBondContact N-O 2.59Å; G202-F260 PolarHBondContact O-N 2.8Å |
| 203 | N | 95.6 | Very high | 90.3 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.3 | -179.6 | -59.1 | 81.7 | 0 | 0 | 0 | 109.5 | Q205 V220 S221 G258 | N203-Q205 PolarHBondContact O-N 2.72Å; N203-V220 WeakPolarHBondContact O-CA 3.42Å; N203-S221 PolarHBondContact N-O 3.23Å; N203-S221 PolarHBondContact O-N 2.88Å; N203-G258 PolarHBondContact ND2-O 2.8Å |
| 204 | I | 95.9 | Very high | 89.6 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 121.6 | 175.3 | -56.8 | 172.4 | 0 | 0 | 0 | 108.2 | V207 I218 P255 F260 F262 | I204-V207 HydrophobicContact CG2-CG2 3.96Å; I204-I218 HydrophobicContact CB-CG2 4.42Å; I204-I218 HydrophobicContact CD1-CG2 4.46Å; I204-I218 HydrophobicContact CG1-CG2 3.99Å; I204-I218 HydrophobicContact CG2-CG2 3.84Å; I204-P255 HydrophobicContact CG2-CB 4.39Å; I204-F260 HydrophobicContact CD1-CD2 4.32Å; I204-F260 HydrophobicContact CD1-CE2 4.02Å; I204-F260 HydrophobicContact CD1-CZ 4.35Å; I204-F260 HydrophobicContact CG1-CD2 4.24Å; I204-F260 HydrophobicContact CG1-CE2 4.25Å; I204-F262 HydrophobicContact CG1-CE1 4.47Å; I204-F262 HydrophobicContact CG1-CZ 3.85Å |
| 205 | Q | 93.9 | Very high | 89.4 | Confident | 91 Ų | 91 | 52.8 Ų | 52.8 | 43% | 0.425 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -50.2 | 174.4 | -66.3 | -173.9 | -20 | 0 | 0 | 110.9 | N203 K219 S221 | N203-Q205 PolarHBondContact O-N 2.72Å; Q205-K219 HydrophobicContact CB-CB 4.38Å; Q205-K219 PolarHBondContact N-O 2.93Å; Q205-S221 VanDerWaalsContact NE2-CB 3.29Å; Q205-S221 PolarHBondContact NE2-OG 2.93Å |
| 206 | S | 94.6 | Very high | 89.5 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 26% | 0.259 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 166.1 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | K219 | S206-K219 PolarHBondContact O-N 3.06Å; S206-K219 WeakPolarHBondContact OG-CD 3.21Å |
| 207 | V | 95.4 | Very high | 89.6 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.7 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 106.8 | I204 A216 V217 I218 V253 P255 | I204-V207 HydrophobicContact CG2-CG2 3.96Å; V207-A216 HydrophobicContact CG1-CB 4.1Å; V207-V217 WeakPolarHBondContact CA-O 3.46Å; V207-I218 HydrophobicContact CG2-CG1 4.41Å; V207-I218 HydrophobicContact CG2-CG2 4.4Å; V207-V253 HydrophobicContact CG2-CG1 4.25Å; V207-P255 HydrophobicContact CB-CG 4.37Å; V207-P255 HydrophobicContact CG2-CG 4.06Å |
| 208 | E | 94.1 | Very high | 89.8 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.7 | 177.7 | -74 | 166.2 | -160.1 | 0 | 0 | 108.9 | A216 V217 K219 | E208-A216 CarbonylContact O-C 3.57Å; E208-V217 PolarHBondContact N-O 3.17Å; E208-V217 PolarHBondContact O-N 3.5Å; E208-K219 VanDerWaalsContact OE1-CE 3.32Å; E208-K219 WeakPolarHBondContact OE1-CE 3.07Å; E208-K219 IonicContact OE1-NZ 3.36Å; E208-K219 PolarHBondContact OE1-NZ 3.27Å; E208-K219 VanDerWaalsContact OE2-CE 3.22Å; E208-K219 WeakPolarHBondContact OE2-CE 3.38Å; E208-K219 IonicContact OE2-NZ 3.6Å; E208-K219 PolarHBondContact OE2-NZ 3.16Å |
| 209 | E | 91.1 | Very high | 89.8 | Confident | 136 Ų | 136 | 51 Ų | 51 | 64% | 0.636 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127 | 178.5 | -64.4 | -175.2 | 177 | 0 | 0 | 109.3 | L249 | E209-L249 HydrophobicContact CB-CD2 3.67Å; E209-L249 HydrophobicContact CG-CD2 3.59Å |
| 210 | D | 82.6 | Confident | 89.8 | Confident | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 97.5 | 173.3 | -172.8 | -28.1 | 0 | 0 | 0 | 108.9 | T212 L213 R214 A215 V217 | D210-T212 PolarHBondContact O-N 3.4Å; D210-T212 WeakPolarHBondContact OD1-CA 3.41Å; D210-T212 WeakPolarHBondContact OD1-CB 3.25Å; D210-T212 PolarHBondContact OD1-N 3.31Å; D210-T212 PolarHBondContact OD1-OG1 3.08Å; D210-L213 HydrophobicContact CB-CB 4.28Å; D210-L213 PolarHBondContact O-N 3.38Å; D210-L213 PolarHBondContact OD1-N 2.96Å; D210-L213 VanDerWaalsContact OD2-CD1 3.32Å; D210-L213 WeakPolarHBondContact OD2-CD1 3.42Å; D210-L213 WeakPolarHBondContact OD2-CG 3.35Å; D210-R214 WeakPolarHBondContact O-CA 3.37Å; D210-R214 PolarHBondContact O-N 3.41Å; D210-A215 PolarHBondContact N-O 3.4Å; D210-A215 PolarHBondContact O-N 2.81Å; D210-A215 VanDerWaalsContact O-N 3.09Å; D210-V217 HydrophobicContact CB-CG2 4.2Å |
| 211 | E | 73.6 | Confident | 89.7 | Confident | 136 Ų | 136 | 52 Ų | 52 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.5 | 179 | -68.6 | -66.5 | 175.9 | 0 | 0 | 112.7 | ||
| 212 | T | 71.9 | Confident | 89.6 | Confident | 85 Ų | 85 | 49 Ų | 49 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -40.5 | -179.5 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | R125 D210 | R125-T212 VanDerWaalsContact CZ-O 3.27Å; R125-T212 PolarHBondContact NE-O 2.71Å; R125-T212 PolarHBondContact NH2-O 3.17Å; D210-T212 PolarHBondContact O-N 3.4Å; D210-T212 WeakPolarHBondContact OD1-CA 3.41Å; D210-T212 WeakPolarHBondContact OD1-CB 3.25Å; D210-T212 PolarHBondContact OD1-N 3.31Å; D210-T212 PolarHBondContact OD1-OG1 3.08Å |
| 213 | L | 69.1 | Low | 89.5 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.4 | 177.2 | -63.3 | -178.4 | 0 | 0 | 0 | 112.9 | D210 A215 | D210-L213 HydrophobicContact CB-CB 4.28Å; D210-L213 PolarHBondContact O-N 3.38Å; D210-L213 PolarHBondContact OD1-N 2.96Å; D210-L213 VanDerWaalsContact OD2-CD1 3.32Å; D210-L213 WeakPolarHBondContact OD2-CD1 3.42Å; D210-L213 WeakPolarHBondContact OD2-CG 3.35Å; L213-A215 HydrophobicContact CB-CB 3.98Å; L213-A215 PolarHBondContact O-N 3.41Å |
| 214 | R | 80 | Confident | 89.4 | Confident | 150 Ų | 150 | 53.9 Ų | 53.9 | 57% | 0.566 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.2 | -167 | -67.8 | -176.5 | 176.9 | 171.3 | -3.9 | 111.8 | D210 L249 | D210-R214 WeakPolarHBondContact O-CA 3.37Å; D210-R214 PolarHBondContact O-N 3.41Å; R214-L249 VanDerWaalsContact CA-CD1 3.43Å; R214-L249 HydrophobicContact CB-CD1 4.18Å; R214-L249 WeakPolarHBondContact O-CG 3.37Å; R214-L249 PolarHBondContact O-N 3Å |
| 215 | A | 86.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D210 L213 T247 L249 W272 | D210-A215 PolarHBondContact N-O 3.4Å; D210-A215 PolarHBondContact O-N 2.81Å; D210-A215 VanDerWaalsContact O-N 3.09Å; L213-A215 HydrophobicContact CB-CB 3.98Å; L213-A215 PolarHBondContact O-N 3.41Å; A215-T247 CarbonylContact C-O 3.59Å; A215-T247 VanDerWaalsContact CA-O 3.24Å; A215-T247 WeakPolarHBondContact CA-O 3.43Å; A215-T247 WeakPolarHBondContact CB-O 3.36Å; A215-L249 VanDerWaalsContact C-CD2 3.47Å; A215-L249 WeakPolarHBondContact O-CD2 3.32Å; A215-W272 HydrophobicContact CB-CH2 4.01Å; A215-W272 HydrophobicContact CB-CZ3 4.46Å |
| 216 | A | 91.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V207 E208 R246 T247 L249 | V207-A216 HydrophobicContact CG1-CB 4.1Å; E208-A216 CarbonylContact O-C 3.57Å; A216-R246 CarbonylContact O-C 3.54Å; A216-R246 WeakPolarHBondContact O-CA 3.5Å; A216-T247 HydrophobicContact CB-CG2 3.98Å; A216-T247 PolarHBondContact N-O 3.49Å; A216-T247 PolarHBondContact O-N 2.92Å; A216-L249 HydrophobicContact CB-CD2 4.13Å |
| 217 | V | 94.8 | Very high | 89.2 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 109 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 109.2 | V207 E208 D210 E244 R246 | V207-V217 WeakPolarHBondContact CA-O 3.46Å; E208-V217 PolarHBondContact N-O 3.17Å; E208-V217 PolarHBondContact O-N 3.5Å; D210-V217 HydrophobicContact CB-CG2 4.2Å; V217-E244 HydrophobicContact CG1-CB 4.04Å; V217-E244 HydrophobicContact CG1-CG 4.14Å; V217-R246 HydrophobicContact CG2-CG 4.3Å |
| 218 | I | 95.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 113.5 | 178.9 | -50 | 169 | 0 | 0 | 0 | 108.1 | I204 V207 V220 E244 V245 T247 V253 L273 | I204-I218 HydrophobicContact CB-CG2 4.42Å; I204-I218 HydrophobicContact CD1-CG2 4.46Å; I204-I218 HydrophobicContact CG1-CG2 3.99Å; I204-I218 HydrophobicContact CG2-CG2 3.84Å; V207-I218 HydrophobicContact CG2-CG1 4.41Å; V207-I218 HydrophobicContact CG2-CG2 4.4Å; I218-V220 HydrophobicContact CB-CG2 4.43Å; I218-V220 HydrophobicContact CG2-CG2 3.79Å; I218-V220 PolarHBondContact O-N 3.4Å; I218-E244 WeakPolarHBondContact O-CA 3.36Å; I218-V245 WeakPolarHBondContact CB-O 3.3Å; I218-V245 PolarHBondContact N-O 3.35Å; I218-V245 PolarHBondContact O-N 2.86Å; I218-T247 HydrophobicContact CD1-CG2 4.18Å; I218-V253 HydrophobicContact CD1-CG1 3.9Å; I218-V253 HydrophobicContact CG1-CG1 4.17Å; I218-L273 HydrophobicContact CD1-CD2 4.27Å |
| 219 | K | 95.8 | Very high | 88.9 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 117.8 | 172.1 | -66.1 | -170.2 | 178.7 | 164.3 | 0 | 109.1 | Q205 S206 E208 | Q205-K219 HydrophobicContact CB-CB 4.38Å; Q205-K219 PolarHBondContact N-O 2.93Å; S206-K219 PolarHBondContact O-N 3.06Å; S206-K219 WeakPolarHBondContact OG-CD 3.21Å; E208-K219 VanDerWaalsContact OE1-CE 3.32Å; E208-K219 WeakPolarHBondContact OE1-CE 3.07Å; E208-K219 IonicContact OE1-NZ 3.36Å; E208-K219 PolarHBondContact OE1-NZ 3.27Å; E208-K219 VanDerWaalsContact OE2-CE 3.22Å; E208-K219 WeakPolarHBondContact OE2-CE 3.38Å; E208-K219 IonicContact OE2-NZ 3.6Å; E208-K219 PolarHBondContact OE2-NZ 3.16Å |
| 220 | V | 96.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.9 | -171.9 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | N203 I218 F233 R242 G243 V245 F262 | N203-V220 WeakPolarHBondContact O-CA 3.42Å; I218-V220 HydrophobicContact CB-CG2 4.43Å; I218-V220 HydrophobicContact CG2-CG2 3.79Å; I218-V220 PolarHBondContact O-N 3.4Å; V220-F233 HydrophobicContact CB-CE1 3.96Å; V220-F233 HydrophobicContact CG1-CE1 3.91Å; V220-R242 WeakPolarHBondContact O-CA 3.06Å; V220-G243 PolarHBondContact N-O 2.82Å; V220-G243 PolarHBondContact O-N 3.09Å; V220-G243 VanDerWaalsContact O-N 3.12Å; V220-V245 HydrophobicContact CG2-CG2 4.12Å; V220-F262 HydrophobicContact CB-CE2 4.46Å; V220-F262 HydrophobicContact CG1-CD2 3.83Å; V220-F262 HydrophobicContact CG1-CE2 3.58Å; V220-F262 HydrophobicContact CG1-CZ 4.22Å; V220-F262 HydrophobicContact CG2-CD1 4.36Å; V220-F262 HydrophobicContact CG2-CD2 4.35Å; V220-F262 HydrophobicContact CG2-CE1 3.96Å; V220-F262 HydrophobicContact CG2-CE2 3.95Å; V220-F262 HydrophobicContact CG2-CZ 3.74Å |
| 221 | S | 94.9 | Very high | 89 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 104.2 | 164.1 | -156 | 0 | 0 | 0 | 0 | 108.5 | G202 N203 Q205 T223 | G202-S221 CarbonylContact C-O 3.44Å; G202-S221 WeakPolarHBondContact CA-O 3.04Å; N203-S221 PolarHBondContact N-O 3.23Å; N203-S221 PolarHBondContact O-N 2.88Å; Q205-S221 VanDerWaalsContact NE2-CB 3.29Å; Q205-S221 PolarHBondContact NE2-OG 2.93Å; S221-T223 PolarHBondContact O-N 2.74Å |
| 222 | A | 94.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V200 R201 V225 F233 A240 S241 | V200-A222 HydrophobicContact CG1-CB 3.44Å; V200-A222 VanDerWaalsContact CG1-CB 3.44Å; R201-A222 CarbonylContact O-C 3.41Å; R201-A222 WeakPolarHBondContact O-CA 3.43Å; A222-V225 HydrophobicContact CB-CG2 4.17Å; A222-F233 HydrophobicContact CB-CD1 3.74Å; A222-F233 HydrophobicContact CB-CE1 4.31Å; A222-F233 HydrophobicContact CB-CG 4.41Å; A222-A240 WeakPolarHBondContact O-CA 3.35Å; A222-A240 WeakPolarHBondContact O-CB 3.41Å; A222-S241 WeakPolarHBondContact CA-O 3.41Å; A222-S241 WeakPolarHBondContact CB-O 3.21Å; A222-S241 PolarHBondContact N-O 3.17Å; A222-S241 PolarHBondContact O-N 2.78Å |
| 223 | T | 92.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -28.4 | 171.4 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | R201 S221 | R201-T223 WeakPolarHBondContact CG-OG1 3.12Å; R201-T223 PolarHBondContact O-N 2.96Å; R201-T223 PolarHBondContact O-OG1 3.31Å; S221-T223 PolarHBondContact O-N 2.74Å |
| 224 | R | 92.7 | Very high | 91.7 | Very high | 80 Ų | 80 | 51 Ų | 51 | 30% | 0.302 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 131.5 | 173.7 | -171.5 | 171.9 | -178.9 | -179.6 | -1.8 | 111.4 | R201 F226 P300 D302 | R201-R224 HydrophobicContact CB-CB 4.25Å; R201-R224 PolarHBondContact N-O 2.8Å; R201-R224 PolarHBondContact O-N 2.64Å; R201-R224 VanDerWaalsContact O-N 3.13Å; R224-F226 HydrophobicContact CG-CE1 4.3Å; R224-F226 HydrophobicContact CG-CE2 4.46Å; R224-F226 HydrophobicContact CG-CZ 4.27Å; R224-P300 VanDerWaalsContact CZ-O 3.28Å; R224-P300 PolarHBondContact NH1-O 3.24Å; R224-P300 PolarHBondContact NH2-O 3.32Å; R224-D302 IonicContact CZ-OD1 2.81Å; R224-D302 IonicContact NH1-OD1 3.16Å; R224-D302 PolarHBondContact NH1-OD1 3.39Å; R224-D302 IonicContact NH1-OD2 2.63Å; R224-D302 PolarHBondContact NH1-OD2 3.32Å; R224-D302 VanDerWaalsContact NH1-OD2 3.13Å |
| 225 | V | 93.4 | Very high | 91.7 | Very high | 47 Ų | 47 | 46 Ų | 46 | 29% | 0.285 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.4 | 172 | 178.5 | 0 | 0 | 0 | 0 | 107.7 | V200 A222 Q228 F233 | V200-V225 HydrophobicContact CG1-CG2 4.3Å; V200-V225 HydrophobicContact CG2-CB 4.49Å; V200-V225 HydrophobicContact CG2-CG1 4.19Å; V200-V225 HydrophobicContact CG2-CG2 4.22Å; A222-V225 HydrophobicContact CB-CG2 4.17Å; V225-Q228 HydrophobicContact CG1-CB 4.19Å; V225-Q228 HydrophobicContact CG1-CG 3.79Å; V225-F233 HydrophobicContact CG2-CB 4.05Å |
| 226 | F | 93.5 | Very high | 90.5 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 17% | 0.171 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -38.2 | 176.9 | -60.7 | -87 | 0 | 0 | 0 | 111.4 | V199 R201 R224 L261 Y279 L299 P300 | V199-F226 HydrophobicContact CB-CB 4.21Å; V199-F226 HydrophobicContact CG1-CB 4.13Å; V199-F226 HydrophobicContact CG1-CD2 3.99Å; V199-F226 HydrophobicContact CG1-CG 4.39Å; V199-F226 WeakPolarHBondContact O-CB 3.21Å; V199-F226 PolarHBondContact O-N 3.19Å; R201-F226 HydrophobicContact CB-CE2 3.88Å; R224-F226 HydrophobicContact CG-CE1 4.3Å; R224-F226 HydrophobicContact CG-CE2 4.46Å; R224-F226 HydrophobicContact CG-CZ 4.27Å; F226-L261 HydrophobicContact CD2-CD1 4.24Å; F226-L261 HydrophobicContact CE2-CD1 3.89Å; F226-Y279 HydrophobicContact CE2-CE2 4.41Å; F226-Y279 HydrophobicContact CZ-CE2 4.25Å; F226-L299 HydrophobicContact CB-CD1 3.77Å; F226-L299 HydrophobicContact CD1-CD1 3.88Å; F226-L299 HydrophobicContact CD1-CD2 4.3Å; F226-L299 HydrophobicContact CD1-CG 3.99Å; F226-L299 HydrophobicContact CE1-CD2 4.32Å; F226-L299 HydrophobicContact CE1-CG 4.29Å; F226-L299 HydrophobicContact CG-CD1 3.89Å; F226-L299 HydrophobicContact CG-CD2 4.41Å; F226-L299 HydrophobicContact CG-CG 4.35Å; F226-L299 HydrophobicContact CZ-CD2 4.45Å; F226-P300 HydrophobicContact CD1-CG 4.26Å; F226-P300 WeakPolarHBondContact CE1-O 3.5Å |
| 227 | R | 92.9 | Very high | 89.1 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 144.6 | 177.1 | -179.7 | 175.9 | 63.8 | -160.6 | -11.5 | 109.7 | V193 C194 S196 F198 V199 | V193-R227 PolarHBondContact O-NH2 2.83Å; C194-R227 PolarHBondContact O-NH1 2.98Å; S196-R227 VanDerWaalsContact N-NH2 3.14Å; S196-R227 PolarHBondContact O-NE 2.77Å; S196-R227 PolarHBondContact O-NH2 2.8Å; F198-R227 CarbonylContact C-O 3.56Å; F198-R227 VanDerWaalsContact CA-O 3.25Å; F198-R227 WeakPolarHBondContact CA-O 3.48Å; V199-R227 HydrophobicContact CB-CB 4.41Å; V199-R227 VanDerWaalsContact CG2-NH2 3.34Å; V199-R227 PolarHBondContact N-O 3.37Å; V199-R227 PolarHBondContact O-N 3.2Å |
| 228 | Q | 93.8 | Very high | 87.5 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 134.5 | 163.5 | 57.1 | -179.5 | -12.9 | 0 | 0 | 110.7 | D197 F198 V225 Y230 L232 F233 | D197-Q228 CarbonylContact O-C 3.6Å; D197-Q228 WeakPolarHBondContact O-CA 3.19Å; F198-Q228 HydrophobicContact CB-CB 4.16Å; V225-Q228 HydrophobicContact CG1-CB 4.19Å; V225-Q228 HydrophobicContact CG1-CG 3.79Å; Q228-Y230 WeakPolarHBondContact CG-O 3.24Å; Q228-L232 HydrophobicContact CB-CD1 4.49Å; Q228-F233 PolarHBondContact NE2-O 3.23Å |
| 229 | K | 89.6 | Confident | 86 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -79.1 | 130.6 | 162.6 | -165.1 | -172 | -179 | -161.3 | 0 | 107.3 | E54 D197 L232 V266 | E54-K229 IonicContact OE1-NZ 2.67Å; E54-K229 PolarHBondContact OE1-NZ 2.04Å; E54-K229 IonicContact OE2-NZ 2.8Å; E54-K229 PolarHBondContact OE2-NZ 3.43Å; E54-K229 VanDerWaalsContact OE2-NZ 3.16Å; D197-K229 HydrophobicContact CB-CB 4.04Å; D197-K229 PolarHBondContact O-N 2.03Å; K229-L232 WeakPolarHBondContact O-CD1 3.34Å; K229-L232 WeakPolarHBondContact O-CG 3.41Å; K229-V266 HydrophobicContact CB-CG2 4.4Å |
| 230 | Y | 87.9 | Confident | 85.1 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 45% | 0.447 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 60.4 | 179.8 | -172.1 | -40.7 | -73.4 | 0 | 0 | 0 | 113.5 | E54 Q228 L232 V266 | E54-Y230 PolarHBondContact OE1-OH 3.11Å; Q228-Y230 WeakPolarHBondContact CG-O 3.24Å; Y230-L232 PolarHBondContact O-N 3.12Å; Y230-V266 HydrophobicContact CD2-CB 4.5Å; Y230-V266 HydrophobicContact CD2-CG1 3.97Å; Y230-V266 HydrophobicContact CD2-CG2 4.25Å; Y230-V266 HydrophobicContact CE2-CB 4.41Å; Y230-V266 HydrophobicContact CE2-CG1 3.88Å |
| 231 | T | 88.8 | Confident | 84.7 | Confident | 117 Ų | 117 | 72.3 Ų | 72.3 | 72% | 0.718 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -90.6 | 68.5 | -179.6 | 53.4 | 0 | 0 | 0 | 0 | 111 | ||
| 232 | L | 91.3 | Very high | 84.7 | Confident | 25 Ų | 25 | 78.6 Ų | 78.6 | 13% | 0.131 | 42% | 0.418 | C | S | . | . | trans | -76.8 | -36.3 | -178.6 | -59.3 | 169.7 | 0 | 0 | 0 | 112.6 | F198 Q228 K229 Y230 V266 G269 A271 | F198-L232 HydrophobicContact CB-CD1 3.98Å; F198-L232 HydrophobicContact CD1-CD1 3.96Å; F198-L232 HydrophobicContact CG-CD1 4.19Å; Q228-L232 HydrophobicContact CB-CD1 4.49Å; K229-L232 WeakPolarHBondContact O-CD1 3.34Å; K229-L232 WeakPolarHBondContact O-CG 3.41Å; Y230-L232 PolarHBondContact O-N 3.12Å; L232-V266 HydrophobicContact CD1-CG2 3.54Å; L232-V266 HydrophobicContact CD2-CG2 4.12Å; L232-V266 HydrophobicContact CG-CG2 4.34Å; L232-G269 WeakPolarHBondContact CD2-O 3.38Å; L232-A271 HydrophobicContact CD1-CB 4.17Å; L232-A271 HydrophobicContact CD2-CB 4.38Å | ||
| 233 | F | 91.6 | Very high | 84.7 | Confident | 6 Ų | 6 | 79 Ų | 79 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -115.7 | 117.8 | 175.9 | -66.2 | -98 | 0 | 0 | 0 | 108.7 | F198 V200 V220 A222 V225 Q228 R242 V245 | F198-F233 HydrophobicContact CD2-CE2 4.27Å; V200-F233 HydrophobicContact CB-CE2 4.32Å; V200-F233 HydrophobicContact CB-CZ 4.27Å; V200-F233 HydrophobicContact CG1-CD1 4.22Å; V200-F233 HydrophobicContact CG1-CE1 4.03Å; V200-F233 HydrophobicContact CG1-CE2 4.48Å; V200-F233 HydrophobicContact CG1-CZ 4.17Å; V200-F233 HydrophobicContact CG2-CD2 3.77Å; V200-F233 HydrophobicContact CG2-CE2 3.65Å; V200-F233 HydrophobicContact CG2-CG 4.34Å; V200-F233 HydrophobicContact CG2-CZ 4.09Å; V220-F233 HydrophobicContact CB-CE1 3.96Å; V220-F233 HydrophobicContact CG1-CE1 3.91Å; A222-F233 HydrophobicContact CB-CD1 3.74Å; A222-F233 HydrophobicContact CB-CE1 4.31Å; A222-F233 HydrophobicContact CB-CG 4.41Å; V225-F233 HydrophobicContact CG2-CB 4.05Å; Q228-F233 PolarHBondContact NE2-O 3.23Å; F233-R242 WeakPolarHBondContact CA-O 3.44Å; F233-V245 HydrophobicContact CZ-CG2 3.75Å |
| 234 | T | 88.7 | Confident | 84.8 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 55% | 0.546 | 42% | 0.419 | S | S | . | . | B | Isolated β-bridge | trans | -117.3 | 139.7 | -177.7 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | S241 R242 | T234-S241 CarbonylContact O-C 3.5Å; T234-S241 VanDerWaalsContact O-CA 3.29Å; T234-S241 WeakPolarHBondContact O-CA 3.39Å; T234-R242 PolarHBondContact N-O 3.31Å; T234-R242 PolarHBondContact O-N 3.28Å |
| 235 | G | 80 | Confident | 84.9 | Confident | 44 Ų | 44 | 75.4 Ų | 75.4 | 45% | 0.454 | 40% | 0.404 | S | S | . | . | trans | -148.6 | 143.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 236 | S | 59.1 | Low | 84.9 | Confident | 99 Ų | 99 | 74.7 Ų | 74.7 | 69% | 0.692 | 40% | 0.396 | S | S | * | . | trans | -91.1 | 106.9 | 172.7 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | R238 L239 | S236-R238 PolarHBondContact O-N 3.02Å; S236-L239 PolarHBondContact O-N 3.06Å | ||
| 237 | G | 63.9 | Low | 84.8 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 80% | 0.804 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -123.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L239 | G237-L239 VanDerWaalsContact C-N 3.25Å; G237-L239 PolarHBondContact O-N 3.21Å |
| 238 | R | 59.7 | Low | 84.4 | Confident | 261 Ų | 261 | 69.7 Ų | 69.7 | 99% | 0.985 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3.6 | -173.9 | -65.5 | -176.5 | 179.8 | 169.4 | 0.1 | 114.6 | S236 | S236-R238 PolarHBondContact O-N 3.02Š|
| 239 | L | 65.7 | Low | 84.1 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 60% | 0.602 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -82.6 | 148.3 | 177.4 | -103.8 | 76.5 | 0 | 0 | 0 | 111.8 | S236 G237 S241 | S236-L239 PolarHBondContact O-N 3.06Å; G237-L239 VanDerWaalsContact C-N 3.25Å; G237-L239 PolarHBondContact O-N 3.21Å; L239-S241 PolarHBondContact O-N 2.78Å |
| 240 | A | 75.4 | Confident | 83.8 | Confident | 43 Ų | 43 | 70 Ų | 70 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 128 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A222 | A222-A240 WeakPolarHBondContact O-CA 3.35Å; A222-A240 WeakPolarHBondContact O-CB 3.41Å |
| 241 | S | 89.3 | Confident | 83.7 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 144.2 | 176.3 | -49.1 | 0 | 0 | 0 | 0 | 109.8 | A222 T234 L239 | A222-S241 WeakPolarHBondContact CA-O 3.41Å; A222-S241 WeakPolarHBondContact CB-O 3.21Å; A222-S241 PolarHBondContact N-O 3.17Å; A222-S241 PolarHBondContact O-N 2.78Å; T234-S241 CarbonylContact O-C 3.5Å; T234-S241 VanDerWaalsContact O-CA 3.29Å; T234-S241 WeakPolarHBondContact O-CA 3.39Å; L239-S241 PolarHBondContact O-N 2.78Å |
| 242 | R | 93.4 | Very high | 83.7 | Confident | 152 Ų | 152 | 63.1 Ų | 63.1 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 147.3 | 177.8 | -63.7 | -176.8 | -174.2 | 179.1 | -0.1 | 109.8 | V220 F233 T234 | V220-R242 WeakPolarHBondContact O-CA 3.06Å; F233-R242 WeakPolarHBondContact CA-O 3.44Å; T234-R242 PolarHBondContact N-O 3.31Å; T234-R242 PolarHBondContact O-N 3.28Å |
| 243 | G | 94.8 | Very high | 83.6 | Confident | 13 Ų | 13 | 64 Ų | 64 | 13% | 0.134 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 170.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V220 | V220-G243 PolarHBondContact N-O 2.82Å; V220-G243 PolarHBondContact O-N 3.09Å; V220-G243 VanDerWaalsContact O-N 3.12Å |
| 244 | E | 95.6 | Very high | 83.4 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.4 | 179.7 | -66 | 179.8 | 175.1 | 0 | 0 | 109.9 | V217 I218 R246 A271 | V217-E244 HydrophobicContact CG1-CB 4.04Å; V217-E244 HydrophobicContact CG1-CG 4.14Å; I218-E244 WeakPolarHBondContact O-CA 3.36Å; E244-R246 IonicContact OE2-CZ 2.78Å; E244-R246 IonicContact OE2-NH1 3.65Å; E244-R246 IonicContact OE2-NH2 3.16Å; E244-R246 PolarHBondContact OE2-NH2 3.32Å; E244-A271 WeakPolarHBondContact O-CB 3.34Å |
| 245 | V | 95.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.9 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | F198 I218 V220 F233 A271 L273 | F198-V245 HydrophobicContact CE2-CG2 4.35Å; F198-V245 HydrophobicContact CZ-CG1 4.11Å; I218-V245 WeakPolarHBondContact CB-O 3.3Å; I218-V245 PolarHBondContact N-O 3.35Å; I218-V245 PolarHBondContact O-N 2.86Å; V220-V245 HydrophobicContact CG2-CG2 4.12Å; F233-V245 HydrophobicContact CZ-CG2 3.75Å; V245-A271 HydrophobicContact CG2-CB 4.47Å; V245-L273 HydrophobicContact CG1-CB 3.83Å; V245-L273 HydrophobicContact CG1-CD1 3.94Å; V245-L273 HydrophobicContact CG1-CG 4.46Å |
| 246 | R | 92.8 | Very high | 83.6 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 145.3 | -178.3 | -68.7 | 167.4 | -178.1 | 64 | 10.5 | 111.1 | A216 V217 E244 E270 A271 W272 L273 | A216-R246 CarbonylContact O-C 3.54Å; A216-R246 WeakPolarHBondContact O-CA 3.5Å; V217-R246 HydrophobicContact CG2-CG 4.3Å; E244-R246 IonicContact OE2-CZ 2.78Å; E244-R246 IonicContact OE2-NH1 3.65Å; E244-R246 IonicContact OE2-NH2 3.16Å; E244-R246 PolarHBondContact OE2-NH2 3.32Å; R246-E270 IonicContact NE-OE2 3.81Å; R246-A271 PolarHBondContact N-O 3.02Å; R246-W272 HydrophobicContact CB-CD2 3.96Å; R246-W272 HydrophobicContact CB-CE3 4.17Å; R246-W272 HydrophobicContact CB-CG 4.39Å; R246-W272 HydrophobicContact CB-CZ2 4.31Å; R246-W272 HydrophobicContact CB-CZ3 4.44Å; R246-W272 CarbonylContact O-C 3.58Å; R246-W272 WeakPolarHBondContact O-CA 3.35Å; R246-L273 WeakPolarHBondContact O-CB 3.39Å; R246-L273 PolarHBondContact O-N 3.25Å |
| 247 | T | 90.3 | Very high | 85.1 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 6% | 0.061 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 170.8 | 169.7 | -170 | 0 | 0 | 0 | 0 | 109.9 | A215 A216 I218 V253 | A215-T247 CarbonylContact C-O 3.59Å; A215-T247 VanDerWaalsContact CA-O 3.24Å; A215-T247 WeakPolarHBondContact CA-O 3.43Å; A215-T247 WeakPolarHBondContact CB-O 3.36Å; A216-T247 HydrophobicContact CB-CG2 3.98Å; A216-T247 PolarHBondContact N-O 3.49Å; A216-T247 PolarHBondContact O-N 2.92Å; I218-T247 HydrophobicContact CD1-CG2 4.18Å; T247-V253 HydrophobicContact CG2-CB 4.45Å; T247-V253 HydrophobicContact CG2-CG2 3.66Å |
| 248 | L | 86.1 | Confident | 86.5 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136.4 | 179.7 | -55.5 | 173.4 | 0 | 0 | 0 | 110.8 | M168 L170 A180 Q250 C251 W272 | M168-L248 HydrophobicContact SD-CD1 4.45Å; M168-L248 HydrophobicContact SD-CG 4.39Å; L170-L248 HydrophobicContact CD2-CD2 3.63Å; A180-L248 HydrophobicContact CB-CD1 3.76Å; L248-Q250 HydrophobicContact CB-CG 3.94Å; L248-Q250 PolarHBondContact O-N 3.04Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.22Å; L248-W272 HydrophobicContact CD2-CZ3 4.41Å |
| 249 | L | 86.1 | Confident | 88.2 | Confident | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.194 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -54.6 | -39.2 | 177.5 | -79 | 172 | 0 | 0 | 0 | 112.4 | E209 R214 A215 A216 C251 G252 | E209-L249 HydrophobicContact CB-CD2 3.67Å; E209-L249 HydrophobicContact CG-CD2 3.59Å; R214-L249 VanDerWaalsContact CA-CD1 3.43Å; R214-L249 HydrophobicContact CB-CD1 4.18Å; R214-L249 WeakPolarHBondContact O-CG 3.37Å; R214-L249 PolarHBondContact O-N 3Å; A215-L249 VanDerWaalsContact C-CD2 3.47Å; A215-L249 WeakPolarHBondContact O-CD2 3.32Å; A216-L249 HydrophobicContact CB-CD2 4.13Å; L249-C251 PolarHBondContact O-N 3.06Å; L249-G252 PolarHBondContact O-N 3.39Å |
| 250 | Q | 83.9 | Confident | 89.6 | Confident | 103 Ų | 103 | 55.6 Ų | 55.6 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -62.2 | -13.5 | -178.9 | 69.7 | -168.3 | 32.1 | 0 | 0 | 114.6 | R177 L248 G252 | R177-Q250 HydrophobicContact CG-CB 4.11Å; R177-Q250 HydrophobicContact CG-CG 3.95Å; L248-Q250 HydrophobicContact CB-CG 3.94Å; L248-Q250 PolarHBondContact O-N 3.04Å; Q250-G252 PolarHBondContact O-N 3.25Å |
| 251 | C | 86.8 | Confident | 90.7 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -76.7 | -10.6 | 173.9 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | C181 L248 L249 V253 | C181-C251 VanDerWaalsContact CA-SG 3.56Å; C181-C251 HydrophobicContact CB-CB 3.67Å; C181-C251 WeakPolarHBondContact CB-SG 3.5Å; C181-C251 WeakPolarHBondContact SG-CA 3.31Å; C181-C251 WeakPolarHBondContact SG-CB 3.33Å; C181-C251 PolarHBondContact SG-N 2.78Å; C181-C251 VanDerWaalsContact SG-N 3.43Å; C181-C251 CovalentContact SG-SG 2.04Å; C181-C251 PolarHBondContact SG-SG 2.89Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.22Å; L249-C251 PolarHBondContact O-N 3.06Å; C251-V253 VanDerWaalsContact C-N 3.3Å; C251-V253 HydrophobicContact CB-CG2 4.26Å; C251-V253 PolarHBondContact O-N 3.35Å |
| 252 | G | 86.8 | Confident | 91 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 54% | 0.536 | 29% | 0.288 | S | S | . | . | trans | 60.2 | 36.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | L249 Q250 R254 | L249-G252 PolarHBondContact O-N 3.39Å; Q250-G252 PolarHBondContact O-N 3.25Å; G252-R254 PolarHBondContact O-N 2.89Å | ||
| 253 | V | 89.9 | Confident | 91.2 | Very high | 43 Ų | 43 | 45 Ų | 45 | 26% | 0.261 | 26% | 0.261 | S | S | . | . | trans | -64.4 | 133.4 | -177 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | V207 I218 T247 C251 | V207-V253 HydrophobicContact CG2-CG1 4.25Å; I218-V253 HydrophobicContact CD1-CG1 3.9Å; I218-V253 HydrophobicContact CG1-CG1 4.17Å; T247-V253 HydrophobicContact CG2-CB 4.45Å; T247-V253 HydrophobicContact CG2-CG2 3.66Å; C251-V253 VanDerWaalsContact C-N 3.3Å; C251-V253 HydrophobicContact CB-CG2 4.26Å; C251-V253 PolarHBondContact O-N 3.35Å | ||
| 254 | R | 87.8 | Confident | 91.1 | Very high | 209 Ų | 209 | 44.4 Ų | 44.4 | 79% | 0.789 | 26% | 0.255 | S | S | * | . | trans | -122 | 151 | 178.3 | -63.5 | -176 | -178.3 | -157.9 | -1.9 | 110.8 | G252 G256 | G252-R254 PolarHBondContact O-N 2.89Å; R254-G256 PolarHBondContact O-N 2.93Å | ||
| 255 | P | 88.6 | Confident | 90.8 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | trans | -54.9 | 133.3 | 167.7 | -21.5 | 32.1 | 0 | 0 | 0 | 110.3 | I204 V207 | I204-P255 HydrophobicContact CG2-CB 4.39Å; V207-P255 HydrophobicContact CB-CG 4.37Å; V207-P255 HydrophobicContact CG2-CG 4.06Å | ||
| 256 | G | 84.9 | Confident | 90.5 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 25% | 0.247 | 25% | 0.25 | C | C | . | . | trans | -145.6 | 143.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R254 | R254-G256 PolarHBondContact O-N 2.93Š| ||
| 257 | P | 89.3 | Confident | 90.3 | Very high | 114 Ų | 114 | 42.7 Ų | 42.7 | 74% | 0.74 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -70.8 | 151.6 | 179.2 | 30.1 | -35.1 | 0 | 0 | 0 | 111.4 | R278 | P257-R278 PolarHBondContact O-NH1 3.39Š|
| 258 | G | 93.2 | Very high | 90.2 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 113.7 | 175 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N203 F260 | N203-G258 PolarHBondContact ND2-O 2.8Å; G258-F260 WeakPolarHBondContact O-CE2 3.46Å |
| 259 | S | 95.4 | Very high | 90.3 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 20% | 0.203 | 26% | 0.262 | C | S | . | . | trans | -101.4 | 137 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 110 | R201 G202 Y279 | R201-S259 WeakPolarHBondContact CG-OG 3.27Å; G202-S259 CarbonylContact O-C 3.57Å; G202-S259 WeakPolarHBondContact O-CA 3.41Å; G202-S259 PolarHBondContact O-OG 2.95Å; S259-Y279 PolarHBondContact O-N 2.99Å | ||
| 260 | F | 96.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 44 Ų | 44 | 10% | 0.101 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 152.4 | -177.6 | -59.6 | -94.3 | 0 | 0 | 0 | 109.9 | R201 G202 I204 G258 F262 P277 R278 | R201-F260 WeakPolarHBondContact CA-O 3.4Å; G202-F260 PolarHBondContact N-O 2.59Å; G202-F260 PolarHBondContact O-N 2.8Å; I204-F260 HydrophobicContact CD1-CD2 4.32Å; I204-F260 HydrophobicContact CD1-CE2 4.02Å; I204-F260 HydrophobicContact CD1-CZ 4.35Å; I204-F260 HydrophobicContact CG1-CD2 4.24Å; I204-F260 HydrophobicContact CG1-CE2 4.25Å; G258-F260 WeakPolarHBondContact O-CE2 3.46Å; F260-F262 HydrophobicContact CB-CD2 4.29Å; F260-F262 HydrophobicContact CB-CE1 4.39Å; F260-F262 HydrophobicContact CB-CE2 3.7Å; F260-F262 HydrophobicContact CB-CZ 3.76Å; F260-F262 HydrophobicContact CD2-CZ 4.42Å; F260-F262 HydrophobicContact CG-CZ 4.31Å; F260-P277 WeakPolarHBondContact CA-O 3.44Å; F260-R278 HydrophobicContact CD1-CG 4.12Å; F260-R278 HydrophobicContact CE1-CG 3.81Å |
| 261 | L | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 103.1 | 168.2 | -173.4 | 74.3 | 0 | 0 | 0 | 108.7 | V193 V199 V200 F226 T263 A276 P277 Y279 F282 | V193-L261 HydrophobicContact CG2-CD2 3.79Å; V199-L261 HydrophobicContact CG1-CD1 3.94Å; V199-L261 HydrophobicContact CG1-CG 4.43Å; V200-L261 CarbonylContact O-C 3.59Å; F226-L261 HydrophobicContact CD2-CD1 4.24Å; F226-L261 HydrophobicContact CE2-CD1 3.89Å; L261-T263 HydrophobicContact CD2-CG2 4.22Å; L261-T263 HydrophobicContact CG-CG2 4.19Å; L261-A276 WeakPolarHBondContact O-CA 3.34Å; L261-P277 HydrophobicContact CB-CG 4.28Å; L261-P277 PolarHBondContact N-O 3.1Å; L261-P277 WeakPolarHBondContact O-CD 3.29Å; L261-Y279 HydrophobicContact CB-CD2 4.25Å; L261-Y279 HydrophobicContact CD1-CD2 4.22Å; L261-Y279 HydrophobicContact CD1-CE2 4.27Å; L261-F282 HydrophobicContact CD2-CB 4.35Å; L261-F282 HydrophobicContact CD2-CD1 3.7Å; L261-F282 HydrophobicContact CD2-CD2 3.77Å; L261-F282 HydrophobicContact CD2-CE1 3.85Å; L261-F282 HydrophobicContact CD2-CE2 3.93Å; L261-F282 HydrophobicContact CD2-CG 3.63Å; L261-F282 HydrophobicContact CD2-CZ 3.96Å |
| 262 | F | 96.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121.1 | 175.8 | -60.1 | -85.6 | 0 | 0 | 0 | 109.9 | F198 V199 V200 I204 V220 F260 L273 A276 | F198-F262 HydrophobicContact CE2-CB 4.17Å; V199-F262 WeakPolarHBondContact CA-O 3.47Å; V200-F262 PolarHBondContact N-O 2.9Å; V200-F262 PolarHBondContact O-N 3.06Å; I204-F262 HydrophobicContact CG1-CE1 4.47Å; I204-F262 HydrophobicContact CG1-CZ 3.85Å; V220-F262 HydrophobicContact CB-CE2 4.46Å; V220-F262 HydrophobicContact CG1-CD2 3.83Å; V220-F262 HydrophobicContact CG1-CE2 3.58Å; V220-F262 HydrophobicContact CG1-CZ 4.22Å; V220-F262 HydrophobicContact CG2-CD1 4.36Å; V220-F262 HydrophobicContact CG2-CD2 4.35Å; V220-F262 HydrophobicContact CG2-CE1 3.96Å; V220-F262 HydrophobicContact CG2-CE2 3.95Å; V220-F262 HydrophobicContact CG2-CZ 3.74Å; F260-F262 HydrophobicContact CB-CD2 4.29Å; F260-F262 HydrophobicContact CB-CE1 4.39Å; F260-F262 HydrophobicContact CB-CE2 3.7Å; F260-F262 HydrophobicContact CB-CZ 3.76Å; F260-F262 HydrophobicContact CD2-CZ 4.42Å; F260-F262 HydrophobicContact CG-CZ 4.31Å; F262-L273 HydrophobicContact CD1-CD1 4.07Å; F262-A276 HydrophobicContact CD1-CB 4.1Å; F262-A276 HydrophobicContact CE1-CB 4.27Å |
| 263 | T | 96.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.9 | 173 | 62.7 | 0 | 0 | 0 | 0 | 108.6 | A192 V193 F198 V199 L261 G274 C275 | A192-T263 HydrophobicContact CB-CG2 4.43Å; V193-T263 HydrophobicContact CG2-CG2 4.37Å; F198-T263 WeakPolarHBondContact O-CA 3.49Å; V199-T263 HydrophobicContact CG1-CG2 4.2Å; V199-T263 HydrophobicContact CG2-CG2 4.28Å; L261-T263 HydrophobicContact CD2-CG2 4.22Å; L261-T263 HydrophobicContact CG-CG2 4.19Å; T263-G274 WeakPolarHBondContact O-CA 3.47Å; T263-G274 PolarHBondContact O-N 3.27Å; T263-C275 PolarHBondContact N-O 2.83Å; T263-C275 PolarHBondContact O-N 3.49Å; T263-C275 WeakPolarHBondContact OG1-CA 3.43Å; T263-C275 VanDerWaalsContact OG1-CB 3.3Å; T263-C275 WeakPolarHBondContact OG1-CB 3.43Å; T263-C275 PolarHBondContact OG1-N 2.97Å; T263-C275 PolarHBondContact OG1-O 3.39Å |
| 264 | G | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -165 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S196 D197 F198 W272 | S196-G264 CarbonylContact C-O 3.41Å; S196-G264 VanDerWaalsContact CA-O 3.24Å; S196-G264 WeakPolarHBondContact CA-O 3.19Å; S196-G264 WeakPolarHBondContact CB-O 3.23Å; S196-G264 PolarHBondContact OG-N 2.84Å; S196-G264 VanDerWaalsContact OG-N 3.16Å; S196-G264 PolarHBondContact OG-O 3.19Å; D197-G264 PolarHBondContact N-O 2.91Å; F198-G264 VanDerWaalsContact CE1-CA 3.44Å; F198-G264 VanDerWaalsContact CZ-CA 3.48Å; F198-G264 PolarHBondContact O-N 3.03Å; G264-W272 CarbonylContact C-O 3.54Å; G264-W272 WeakPolarHBondContact CA-O 3.46Å |
| 265 | R | 90 | Very high | 91.7 | Very high | 65 Ų | 65 | 26.8 Ų | 26.8 | 25% | 0.245 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 155.5 | -179.6 | -63.7 | -69.1 | -122.4 | -105.6 | -11 | 109.8 | R161 T195 D197 W272 | R161-R265 VanDerWaalsContact NH1-CB 3.33Å; T195-R265 PolarHBondContact O-NH1 3.1Å; D197-R265 VanDerWaalsContact OD2-CA 3.31Å; D197-R265 WeakPolarHBondContact OD2-CA 3.43Å; D197-R265 WeakPolarHBondContact OD2-CB 3.49Å; D197-R265 WeakPolarHBondContact OD2-CD 3.34Å; R265-W272 PolarHBondContact N-O 2.89Å; R265-W272 PolarHBondContact O-N 3.27Å |
| 266 | V | 90 | Very high | 92.1 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 138.6 | 167.7 | 179 | 0 | 0 | 0 | 0 | 108.4 | R161 D197 K229 Y230 L232 E270 | R161-V266 PolarHBondContact NH1-O 3.41Å; R161-V266 VanDerWaalsContact NH1-O 3.09Å; R161-V266 PolarHBondContact NH2-O 2.79Å; D197-V266 HydrophobicContact CB-CB 4.31Å; D197-V266 HydrophobicContact CB-CG2 3.82Å; D197-V266 PolarHBondContact OD2-N 2.94Å; K229-V266 HydrophobicContact CB-CG2 4.4Å; Y230-V266 HydrophobicContact CD2-CB 4.5Å; Y230-V266 HydrophobicContact CD2-CG1 3.97Å; Y230-V266 HydrophobicContact CD2-CG2 4.25Å; Y230-V266 HydrophobicContact CE2-CB 4.41Å; Y230-V266 HydrophobicContact CE2-CG1 3.88Å; L232-V266 HydrophobicContact CD1-CG2 3.54Å; L232-V266 HydrophobicContact CD2-CG2 4.12Å; L232-V266 HydrophobicContact CG-CG2 4.34Å; V266-E270 CarbonylContact C-O 3.47Å; V266-E270 WeakPolarHBondContact CA-O 3.38Å |
| 267 | H | 87.5 | Confident | 92.6 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 5% | 0.046 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 116.9 | 171.3 | -176.4 | 50.1 | 0 | 0 | 0 | 108.5 | E159 M165 G269 E270 W272 | E159-H267 IonicContact OE2-CE1 3.17Å; E159-H267 IonicContact OE2-CG 3.83Å; E159-H267 IonicContact OE2-ND1 3.25Å; E159-H267 PolarHBondContact OE2-ND1 2.74Å; M165-H267 HydrophobicContact CE-CB 3.8Å; M165-H267 VanDerWaalsContact CE-CG 3.47Å; M165-H267 VanDerWaalsContact CE-ND1 3.31Å; M165-H267 WeakPolarHBondContact CE-ND1 3.31Å; H267-G269 PolarHBondContact O-N 2.86Å; H267-E270 PolarHBondContact N-O 3.34Å; H267-E270 WeakPolarHBondContact O-CB 3.34Å; H267-E270 PolarHBondContact O-N 2.9Å; H267-W272 VanDerWaalsContact CB-CD1 3.48Å; H267-W272 HydrophobicContact CB-CG 4.22Å; H267-W272 AromaticContact CD2-NE1 3.99Å |
| 268 | F | 88.2 | Confident | 92.9 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 36.7 | -173.4 | -65.8 | -64.7 | 0 | 0 | 0 | 114.8 | C90 K92 V126 R157 E159 E270 | C90-F268 HydrophobicContact CB-CE2 3.86Å; C90-F268 HydrophobicContact CB-CZ 4.03Å; K92-F268 HydrophobicContact CB-CD1 3.73Å; K92-F268 HydrophobicContact CB-CD2 3.75Å; K92-F268 HydrophobicContact CB-CE1 3.73Å; K92-F268 HydrophobicContact CB-CE2 3.72Å; K92-F268 HydrophobicContact CB-CG 3.75Å; K92-F268 HydrophobicContact CB-CZ 3.71Å; K92-F268 HydrophobicContact CD-CB 3.59Å; K92-F268 HydrophobicContact CD-CD1 4.28Å; K92-F268 HydrophobicContact CD-CD2 4Å; K92-F268 HydrophobicContact CD-CG 3.7Å; K92-F268 HydrophobicContact CG-CD2 4.44Å; K92-F268 HydrophobicContact CG-CG 4.36Å; V126-F268 HydrophobicContact CG1-CD2 4.27Å; V126-F268 HydrophobicContact CG1-CE2 3.67Å; V126-F268 HydrophobicContact CG2-CD2 3.94Å; V126-F268 HydrophobicContact CG2-CE2 4.07Å; R157-F268 HydrophobicContact CB-CD1 3.69Å; R157-F268 HydrophobicContact CB-CE1 3.58Å; R157-F268 WeakPolarHBondContact O-CE1 3.16Å; E159-F268 HydrophobicContact CB-CE1 4.39Å; E159-F268 HydrophobicContact CB-CZ 4.28Å; E159-F268 HydrophobicContact CG-CD1 4.13Å; E159-F268 HydrophobicContact CG-CE1 3.77Å; E159-F268 HydrophobicContact CG-CZ 4.11Å; E159-F268 VanDerWaalsContact OE1-CA 3.3Å; E159-F268 WeakPolarHBondContact OE1-CA 3.42Å; E159-F268 PolarHBondContact OE1-N 2.92Å; F268-E270 VanDerWaalsContact C-N 3.29Å |
| 269 | G | 88.4 | Confident | 93.1 | Very high | 41 Ų | 41 | 22.5 Ų | 22.5 | 42% | 0.423 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | -1.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L232 H267 | L232-G269 WeakPolarHBondContact CD2-O 3.38Å; H267-G269 PolarHBondContact O-N 2.86Å |
| 270 | E | 90.1 | Very high | 93.1 | Very high | 41 Ų | 41 | 27.4 Ų | 27.4 | 19% | 0.192 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 141.3 | 178.4 | -63.4 | 160.9 | -170.1 | 0 | 0 | 110.1 | K92 R246 V266 H267 F268 | K92-E270 IonicContact NZ-OE1 2.64Å; K92-E270 PolarHBondContact NZ-OE1 3.22Å; R246-E270 IonicContact NE-OE2 3.81Å; V266-E270 CarbonylContact C-O 3.47Å; V266-E270 WeakPolarHBondContact CA-O 3.38Å; H267-E270 PolarHBondContact N-O 3.34Å; H267-E270 WeakPolarHBondContact O-CB 3.34Å; H267-E270 PolarHBondContact O-N 2.9Å; F268-E270 VanDerWaalsContact C-N 3.29Å |
| 271 | A | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 29 Ų | 29 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F198 L232 E244 V245 R246 | F198-A271 HydrophobicContact CD1-CB 4.13Å; F198-A271 HydrophobicContact CE1-CB 3.64Å; F198-A271 HydrophobicContact CZ-CB 3.97Å; L232-A271 HydrophobicContact CD1-CB 4.17Å; L232-A271 HydrophobicContact CD2-CB 4.38Å; E244-A271 WeakPolarHBondContact O-CB 3.34Å; V245-A271 HydrophobicContact CG2-CB 4.47Å; R246-A271 PolarHBondContact N-O 3.02Å |
| 272 | W | 92 | Very high | 93 | Very high | 17 Ų | 17 | 29 Ų | 29 | 6% | 0.064 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.2 | 175.9 | -76.2 | 75.6 | 0 | 0 | 0 | 110.8 | L170 A215 R246 L248 G264 R265 H267 | L170-W272 HydrophobicContact CD1-CH2 4.05Å; L170-W272 HydrophobicContact CD2-CH2 4.28Å; A215-W272 HydrophobicContact CB-CH2 4.01Å; A215-W272 HydrophobicContact CB-CZ3 4.46Å; R246-W272 HydrophobicContact CB-CD2 3.96Å; R246-W272 HydrophobicContact CB-CE3 4.17Å; R246-W272 HydrophobicContact CB-CG 4.39Å; R246-W272 HydrophobicContact CB-CZ2 4.31Å; R246-W272 HydrophobicContact CB-CZ3 4.44Å; R246-W272 CarbonylContact O-C 3.58Å; R246-W272 WeakPolarHBondContact O-CA 3.35Å; L248-W272 HydrophobicContact CD2-CZ3 4.41Å; G264-W272 CarbonylContact C-O 3.54Å; G264-W272 WeakPolarHBondContact CA-O 3.46Å; R265-W272 PolarHBondContact N-O 2.89Å; R265-W272 PolarHBondContact O-N 3.27Å; H267-W272 VanDerWaalsContact CB-CD1 3.48Å; H267-W272 HydrophobicContact CB-CG 4.22Å; H267-W272 AromaticContact CD2-NE1 3.99Å |
| 273 | L | 92.8 | Very high | 93 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.2 | -172.9 | -171 | 65 | 0 | 0 | 0 | 111.9 | I218 V245 R246 F262 A276 | I218-L273 HydrophobicContact CD1-CD2 4.27Å; V245-L273 HydrophobicContact CG1-CB 3.83Å; V245-L273 HydrophobicContact CG1-CD1 3.94Å; V245-L273 HydrophobicContact CG1-CG 4.46Å; R246-L273 WeakPolarHBondContact O-CB 3.39Å; R246-L273 PolarHBondContact O-N 3.25Å; F262-L273 HydrophobicContact CD1-CD1 4.07Å; L273-A276 HydrophobicContact CD1-CB 3.87Å; L273-A276 HydrophobicContact CD2-CB 4.21Å |
| 274 | G | 90.6 | Very high | 93 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 31% | 0.309 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | -73 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T263 | T263-G274 WeakPolarHBondContact O-CA 3.47Å; T263-G274 PolarHBondContact O-N 3.27Å |
| 275 | C | 93 | Very high | 93.1 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | C184 A192 T263 | C184-C275 HydrophobicContact CB-CB 3.77Å; C184-C275 WeakPolarHBondContact CB-SG 3.3Å; C184-C275 VanDerWaalsContact SG-CA 3.54Å; C184-C275 WeakPolarHBondContact SG-CB 3.26Å; C184-C275 CovalentContact SG-SG 2.03Å; C184-C275 PolarHBondContact SG-SG 3.09Å; A192-C275 HydrophobicContact CB-CB 4.46Å; T263-C275 PolarHBondContact N-O 2.83Å; T263-C275 PolarHBondContact O-N 3.49Å; T263-C275 WeakPolarHBondContact OG1-CA 3.43Å; T263-C275 VanDerWaalsContact OG1-CB 3.3Å; T263-C275 WeakPolarHBondContact OG1-CB 3.43Å; T263-C275 PolarHBondContact OG1-N 2.97Å; T263-C275 PolarHBondContact OG1-O 3.39Å |
| 276 | A | 95.5 | Very high | 93.4 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | trans | -135.1 | 60 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L261 F262 L273 | L261-A276 WeakPolarHBondContact O-CA 3.34Å; F262-A276 HydrophobicContact CD1-CB 4.1Å; F262-A276 HydrophobicContact CE1-CB 4.27Å; L273-A276 HydrophobicContact CD1-CB 3.87Å; L273-A276 HydrophobicContact CD2-CB 4.21Å | ||
| 277 | P | 95.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 41 Ų | 41 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | trans | -63.9 | 157.4 | 173 | 30.5 | -37.1 | 0 | 0 | 0 | 111 | I189 F260 L261 Y279 F282 | I189-P277 HydrophobicContact CD1-CB 3.85Å; I189-P277 HydrophobicContact CD1-CG 4.04Å; I189-P277 HydrophobicContact CG1-CB 4.43Å; I189-P277 HydrophobicContact CG1-CG 4.1Å; I189-P277 HydrophobicContact CG2-CG 4.04Å; F260-P277 WeakPolarHBondContact CA-O 3.44Å; L261-P277 HydrophobicContact CB-CG 4.28Å; L261-P277 PolarHBondContact N-O 3.1Å; L261-P277 WeakPolarHBondContact O-CD 3.29Å; P277-Y279 PolarHBondContact O-N 3.48Å; P277-F282 HydrophobicContact CG-CB 4.21Å | ||
| 278 | R | 95.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 45.3 Ų | 45.3 | 38% | 0.381 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -63.4 | 138.4 | 165.5 | -63.7 | -179.9 | 174 | -83 | 2.6 | 108.4 | P257 F260 K280 D281 F282 | P257-R278 PolarHBondContact O-NH1 3.39Å; F260-R278 HydrophobicContact CD1-CG 4.12Å; F260-R278 HydrophobicContact CE1-CG 3.81Å; R278-K280 VanDerWaalsContact C-N 3.25Å; R278-K280 HydrophobicContact CB-CG 4.26Å; R278-K280 PolarHBondContact O-N 3.3Å; R278-D281 WeakPolarHBondContact CB-OD2 3.49Å; R278-D281 PolarHBondContact O-N 3.21Å; R278-F282 PolarHBondContact O-N 2.9Å; R278-F282 VanDerWaalsContact O-N 3.1Å |
| 279 | Y | 96.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | -173.5 | -173 | -105.5 | 0 | 0 | 0 | 112.6 | R201 F226 S259 L261 P277 D281 F282 Q283 | R201-Y279 HydrophobicContact CB-CD2 4.29Å; R201-Y279 HydrophobicContact CB-CE2 4.31Å; R201-Y279 HydrophobicContact CG-CD2 3.82Å; R201-Y279 HydrophobicContact CG-CE2 4.08Å; R201-Y279 HydrophobicContact CG-CG 4.06Å; R201-Y279 VanDerWaalsContact CZ-CE1 3.48Å; F226-Y279 HydrophobicContact CE2-CE2 4.41Å; F226-Y279 HydrophobicContact CZ-CE2 4.25Å; S259-Y279 PolarHBondContact O-N 2.99Å; L261-Y279 HydrophobicContact CB-CD2 4.25Å; L261-Y279 HydrophobicContact CD1-CD2 4.22Å; L261-Y279 HydrophobicContact CD1-CE2 4.27Å; P277-Y279 PolarHBondContact O-N 3.48Å; Y279-D281 VanDerWaalsContact C-N 3.3Å; Y279-D281 PolarHBondContact O-N 3.48Å; Y279-F282 HydrophobicContact CD2-CD1 4.2Å; Y279-F282 HydrophobicContact CE2-CD1 4.09Å; Y279-F282 HydrophobicContact CE2-CE1 4.35Å; Y279-F282 PolarHBondContact O-N 2.73Å; Y279-Q283 HydrophobicContact CD1-CG 4.09Å; Y279-Q283 HydrophobicContact CE1-CG 3.71Å; Y279-Q283 WeakPolarHBondContact O-CG 3.41Å; Y279-Q283 PolarHBondContact O-N 2.89Å |
| 280 | K | 95.6 | Very high | 94.8 | Very high | 132 Ų | 132 | 48.3 Ų | 48.3 | 57% | 0.574 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61 | -36.6 | 175.9 | 68.4 | 176.1 | -170.2 | 172.6 | 0 | 113.3 | R278 R284 | R278-K280 VanDerWaalsContact C-N 3.25Å; R278-K280 HydrophobicContact CB-CG 4.26Å; R278-K280 PolarHBondContact O-N 3.3Å; K280-R284 PolarHBondContact O-N 2.85Å |
| 281 | D | 95.8 | Very high | 95.1 | Very high | 57 Ų | 57 | 50.6 Ų | 50.6 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.5 | -41.1 | -176.8 | -60.4 | -33.3 | 0 | 0 | 0 | 108.5 | R278 Y279 Q283 R284 T285 | R278-D281 WeakPolarHBondContact CB-OD2 3.49Å; R278-D281 PolarHBondContact O-N 3.21Å; Y279-D281 VanDerWaalsContact C-N 3.3Å; Y279-D281 PolarHBondContact O-N 3.48Å; D281-Q283 PolarHBondContact O-N 2.93Å; D281-R284 PolarHBondContact O-N 2.79Å; D281-T285 PolarHBondContact O-N 3.12Å; D281-T285 PolarHBondContact O-OG1 2.81Å |
| 282 | F | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -48.1 | 169.1 | 164.2 | -106.9 | 0 | 0 | 0 | 112.8 | I189 V193 L261 P277 R278 Y279 R284 T285 Y286 L299 V301 | I189-F282 HydrophobicContact CG2-CD2 3.55Å; I189-F282 HydrophobicContact CG2-CE2 4.24Å; I189-F282 HydrophobicContact CG2-CG 4.49Å; V193-F282 HydrophobicContact CG2-CE2 3.74Å; V193-F282 HydrophobicContact CG2-CZ 4.05Å; L261-F282 HydrophobicContact CD2-CB 4.35Å; L261-F282 HydrophobicContact CD2-CD1 3.7Å; L261-F282 HydrophobicContact CD2-CD2 3.77Å; L261-F282 HydrophobicContact CD2-CE1 3.85Å; L261-F282 HydrophobicContact CD2-CE2 3.93Å; L261-F282 HydrophobicContact CD2-CG 3.63Å; L261-F282 HydrophobicContact CD2-CZ 3.96Å; P277-F282 HydrophobicContact CG-CB 4.21Å; R278-F282 PolarHBondContact O-N 2.9Å; R278-F282 VanDerWaalsContact O-N 3.1Å; Y279-F282 HydrophobicContact CD2-CD1 4.2Å; Y279-F282 HydrophobicContact CE2-CD1 4.09Å; Y279-F282 HydrophobicContact CE2-CE1 4.35Å; Y279-F282 PolarHBondContact O-N 2.73Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 3.24Å; F282-T285 PolarHBondContact O-N 3.14Å; F282-Y286 AromaticContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CG 4.26Å; F282-Y286 AromaticContact CZ-CD2 3.86Å; F282-Y286 HydrophobicContact CZ-CD2 3.86Å; F282-Y286 AromaticContact CZ-CG 4Å; F282-Y286 HydrophobicContact CZ-CG 4Å; F282-Y286 VanDerWaalsContact O-CB 3.27Å; F282-Y286 WeakPolarHBondContact O-CB 3.43Å; F282-Y286 PolarHBondContact O-N 3.12Å; F282-L299 HydrophobicContact CE1-CD2 3.87Å; F282-L299 HydrophobicContact CZ-CD2 3.65Å; F282-V301 HydrophobicContact CE1-CG1 3.73Å; F282-V301 HydrophobicContact CZ-CG1 4.16Å |
| 283 | Q | 96.1 | Very high | 95.4 | Very high | 58 Ų | 58 | 60.7 Ų | 60.7 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 179.5 | -80.1 | -179.3 | -60.7 | 0 | 0 | 111.2 | Y279 D281 Y286 S287 D302 | Y279-Q283 HydrophobicContact CD1-CG 4.09Å; Y279-Q283 HydrophobicContact CE1-CG 3.71Å; Y279-Q283 WeakPolarHBondContact O-CG 3.41Å; Y279-Q283 PolarHBondContact O-N 2.89Å; D281-Q283 PolarHBondContact O-N 2.93Å; Q283-Y286 PolarHBondContact O-N 3.13Å; Q283-S287 WeakPolarHBondContact O-CB 3.22Å; Q283-S287 PolarHBondContact O-N 2.98Å; Q283-S287 PolarHBondContact O-OG 2.81Å; Q283-S287 VanDerWaalsContact O-OG 3.06Å; Q283-D302 PolarHBondContact NE2-O 3.31Å; Q283-D302 VanDerWaalsContact NE2-O 3.12Å |
| 284 | R | 96.1 | Very high | 95.5 | Very high | 170 Ų | 170 | 66.5 Ų | 66.5 | 64% | 0.642 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.4 | -53.4 | 175.5 | -175.1 | -173 | -65.1 | 146.8 | -0.8 | 111.4 | K280 D281 F282 Y286 S287 V288 | K280-R284 PolarHBondContact O-N 2.85Å; D281-R284 PolarHBondContact O-N 2.79Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 3.24Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 3Å; R284-S287 PolarHBondContact O-N 2.92Å; R284-V288 WeakPolarHBondContact O-CG2 3.45Å; R284-V288 PolarHBondContact O-N 3.49Å |
| 285 | T | 95.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 66.9 Ų | 66.9 | 14% | 0.141 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 179.3 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | D186 L190 D281 F282 V288 A289 | D186-T285 HydrophobicContact CB-CG2 3.53Å; D186-T285 VanDerWaalsContact CG-CG2 3.45Å; D186-T285 WeakPolarHBondContact OD1-CG2 3.36Å; D186-T285 PolarHBondContact OD1-OG1 3.45Å; L190-T285 HydrophobicContact CD1-CG2 4.29Å; L190-T285 HydrophobicContact CD2-CG2 4.43Å; L190-T285 HydrophobicContact CG-CG2 4.25Å; D281-T285 PolarHBondContact O-N 3.12Å; D281-T285 PolarHBondContact O-OG1 2.81Å; F282-T285 PolarHBondContact O-N 3.14Å; T285-V288 PolarHBondContact O-N 2.84Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 3.13Å |
| 286 | Y | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 179.6 | -171.7 | -95.8 | 0 | 0 | 0 | 112.4 | L190 F282 Q283 R284 V288 A289 K290 I295 C297 E298 L299 V301 | L190-Y286 HydrophobicContact CD2-CD2 3.85Å; F282-Y286 AromaticContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CG 4.26Å; F282-Y286 AromaticContact CZ-CD2 3.86Å; F282-Y286 HydrophobicContact CZ-CD2 3.86Å; F282-Y286 AromaticContact CZ-CG 4Å; F282-Y286 HydrophobicContact CZ-CG 4Å; F282-Y286 VanDerWaalsContact O-CB 3.27Å; F282-Y286 WeakPolarHBondContact O-CB 3.43Å; F282-Y286 PolarHBondContact O-N 3.12Å; Q283-Y286 PolarHBondContact O-N 3.13Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 3Å; Y286-V288 PolarHBondContact O-N 2.64Å; Y286-A289 PolarHBondContact O-N 3.37Å; Y286-K290 HydrophobicContact CE1-CD 3.97Å; Y286-K290 WeakPolarHBondContact O-CB 3.32Å; Y286-K290 PolarHBondContact O-N 2.86Å; Y286-I295 HydrophobicContact CD2-CG2 4.2Å; Y286-I295 HydrophobicContact CE2-CB 4.45Å; Y286-I295 HydrophobicContact CE2-CG2 3.89Å; Y286-C297 PolarHBondContact OH-O 3.5Å; Y286-E298 WeakPolarHBondContact OH-CA 3.39Å; Y286-L299 HydrophobicContact CE2-CB 4.31Å; Y286-L299 PolarHBondContact OH-N 2.72Å; Y286-V301 HydrophobicContact CD1-CG1 4.15Å; Y286-V301 HydrophobicContact CD1-CG2 3.78Å; Y286-V301 HydrophobicContact CE1-CG1 4.27Å; Y286-V301 HydrophobicContact CE1-CG2 3.71Å |
| 287 | S | 95.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.6 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | Q283 R284 K290 A291 | Q283-S287 WeakPolarHBondContact O-CB 3.22Å; Q283-S287 PolarHBondContact O-N 2.98Å; Q283-S287 PolarHBondContact O-OG 2.81Å; Q283-S287 VanDerWaalsContact O-OG 3.06Å; R284-S287 PolarHBondContact O-N 2.92Å; S287-K290 PolarHBondContact O-N 2.87Å; S287-A291 WeakPolarHBondContact O-CB 3.01Å; S287-A291 PolarHBondContact O-N 3.37Å |
| 288 | V | 96.5 | Very high | 95.4 | Very high | 101 Ų | 101 | 75.8 Ų | 75.8 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.4 | -49.7 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | R284 T285 Y286 K290 A291 A292 | R284-V288 WeakPolarHBondContact O-CG2 3.45Å; R284-V288 PolarHBondContact O-N 3.49Å; T285-V288 PolarHBondContact O-N 2.84Å; Y286-V288 PolarHBondContact O-N 2.64Å; V288-K290 VanDerWaalsContact C-N 3.32Å; V288-K290 PolarHBondContact O-N 3.46Å; V288-A291 PolarHBondContact O-N 2.86Å; V288-A292 PolarHBondContact O-N 2.82Å; V288-A292 VanDerWaalsContact O-N 3.08Å |
| 289 | A | 96 | Very high | 95.2 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L190 T285 Y286 A292 Q293 Q294 I295 | L190-A289 HydrophobicContact CD1-CB 3.64Å; L190-A289 HydrophobicContact CD2-CB 4.32Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 3.13Å; Y286-A289 PolarHBondContact O-N 3.37Å; A289-A292 CarbonylContact O-C 3.52Å; A289-A292 PolarHBondContact O-N 2.9Å; A289-Q293 PolarHBondContact O-N 2.88Å; A289-Q293 VanDerWaalsContact O-N 3.09Å; A289-Q294 PolarHBondContact O-N 2.81Å; A289-I295 HydrophobicContact CB-CG2 3.81Å |
| 290 | K | 95.7 | Very high | 94.9 | Very high | 104 Ų | 104 | 75.6 Ų | 75.6 | 45% | 0.452 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 178.3 | -175.5 | 170.6 | -177 | 173.8 | 0 | 111.4 | Y286 S287 V288 A292 Q293 I295 | Y286-K290 HydrophobicContact CE1-CD 3.97Å; Y286-K290 WeakPolarHBondContact O-CB 3.32Å; Y286-K290 PolarHBondContact O-N 2.86Å; S287-K290 PolarHBondContact O-N 2.87Å; V288-K290 VanDerWaalsContact C-N 3.32Å; V288-K290 PolarHBondContact O-N 3.46Å; K290-A292 PolarHBondContact O-N 3.48Å; K290-Q293 PolarHBondContact O-N 2.82Å; K290-I295 HydrophobicContact CB-CD1 4.4Å; K290-I295 HydrophobicContact CB-CG2 4.01Å; K290-I295 HydrophobicContact CD-CD1 4.44Å; K290-I295 HydrophobicContact CG-CD1 4.09Å |
| 291 | A | 96.2 | Very high | 94.4 | Very high | 88 Ų | 88 | 71.2 Ų | 71.2 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.8 | -35.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | S287 V288 Q293 | S287-A291 WeakPolarHBondContact O-CB 3.01Å; S287-A291 PolarHBondContact O-N 3.37Å; V288-A291 PolarHBondContact O-N 2.86Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 2.63Å |
| 292 | A | 96.8 | Very high | 93.3 | Very high | 52 Ų | 52 | 75.3 Ų | 75.3 | 43% | 0.43 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -0.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V288 A289 K290 Q294 | V288-A292 PolarHBondContact O-N 2.82Å; V288-A292 VanDerWaalsContact O-N 3.08Å; A289-A292 CarbonylContact O-C 3.52Å; A289-A292 PolarHBondContact O-N 2.9Å; K290-A292 PolarHBondContact O-N 3.48Å; A292-Q294 HydrophobicContact CB-CB 4.44Å; A292-Q294 HydrophobicContact CB-CG 4.16Å; A292-Q294 PolarHBondContact O-N 2.9Å |
| 293 | Q | 94.7 | Very high | 93.1 | Very high | 180 Ų | 180 | 79.1 Ų | 79.1 | 84% | 0.841 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 32 | -174.1 | -58.6 | -179.2 | -28.9 | 0 | 0 | 114 | A289 K290 A291 | A289-Q293 PolarHBondContact O-N 2.88Å; A289-Q293 VanDerWaalsContact O-N 3.09Å; K290-Q293 PolarHBondContact O-N 2.82Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 2.63Å |
| 294 | Q | 93.7 | Very high | 92.9 | Very high | 146 Ų | 146 | 80.2 Ų | 80.2 | 68% | 0.682 | 44% | 0.438 | S | S | * | . | trans | -108.6 | 15.3 | -177.4 | -71.7 | 176.4 | -8.6 | 0 | 0 | 113.2 | A289 A292 | A289-Q294 PolarHBondContact O-N 2.81Å; A292-Q294 HydrophobicContact CB-CB 4.44Å; A292-Q294 HydrophobicContact CB-CG 4.16Å; A292-Q294 PolarHBondContact O-N 2.9Å | ||
| 295 | I | 93.3 | Very high | 92.8 | Very high | 37 Ų | 37 | 75.2 Ų | 75.2 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | trans | -76.9 | 131 | 177.4 | 52.2 | 169 | 0 | 0 | 0 | 111.1 | Y286 A289 K290 C297 E298 | Y286-I295 HydrophobicContact CD2-CG2 4.2Å; Y286-I295 HydrophobicContact CE2-CB 4.45Å; Y286-I295 HydrophobicContact CE2-CG2 3.89Å; A289-I295 HydrophobicContact CB-CG2 3.81Å; K290-I295 HydrophobicContact CB-CD1 4.4Å; K290-I295 HydrophobicContact CB-CG2 4.01Å; K290-I295 HydrophobicContact CD-CD1 4.44Å; K290-I295 HydrophobicContact CG-CD1 4.09Å; I295-C297 VanDerWaalsContact C-N 3.3Å; I295-C297 PolarHBondContact O-N 3.16Å; I295-E298 HydrophobicContact CD1-CG 4.08Å | ||
| 296 | P | 92.1 | Very high | 92.6 | Very high | 60 Ų | 60 | 78.3 Ų | 78.3 | 39% | 0.39 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -72.1 | -23.6 | 178 | 23.1 | -28.4 | 0 | 0 | 0 | 113.4 | L190 M191 C194 | L190-P296 HydrophobicContact CB-CG 4Å; L190-P296 WeakPolarHBondContact O-CG 3.46Å; M191-P296 HydrophobicContact SD-CB 3.51Å; M191-P296 VanDerWaalsContact SD-CB 3.51Å; M191-P296 HydrophobicContact SD-CG 3.71Å; C194-P296 VanDerWaalsContact SG-CG 3.58Å |
| 297 | C | 94.5 | Very high | 92.3 | Very high | 40 Ų | 40 | 82.9 Ų | 82.9 | 27% | 0.27 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -158.7 | 163.8 | 172.3 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | C194 Y286 I295 | C194-C297 WeakPolarHBondContact CA-SG 3.26Å; C194-C297 HydrophobicContact CB-CB 3.85Å; C194-C297 WeakPolarHBondContact CB-SG 3.19Å; C194-C297 WeakPolarHBondContact SG-CB 3.44Å; C194-C297 PolarHBondContact SG-N 2.68Å; C194-C297 CovalentContact SG-SG 2.02Å; C194-C297 PolarHBondContact SG-SG 3.34Å; Y286-C297 PolarHBondContact OH-O 3.5Å; I295-C297 VanDerWaalsContact C-N 3.3Å; I295-C297 PolarHBondContact O-N 3.16Å |
| 298 | E | 93.4 | Very high | 92.1 | Very high | 154 Ų | 154 | 83.7 Ų | 83.7 | 72% | 0.72 | 47% | 0.469 | S | S | * | . | trans | -84.7 | 134.2 | 174.2 | -64.8 | -164 | 153.3 | 0 | 0 | 112 | Y286 I295 | Y286-E298 WeakPolarHBondContact OH-CA 3.39Å; I295-E298 HydrophobicContact CD1-CG 4.08Å | ||
| 299 | L | 92.1 | Very high | 91.8 | Very high | 17 Ų | 17 | 82.5 Ų | 82.5 | 9% | 0.089 | 46% | 0.459 | C | S | . | . | trans | -122.1 | 131.6 | 169.7 | -170 | 75 | 0 | 0 | 0 | 107.3 | V193 V199 F226 F282 Y286 V301 | V193-L299 HydrophobicContact CG1-CB 3.96Å; V193-L299 HydrophobicContact CG1-CD1 3.81Å; V193-L299 HydrophobicContact CG1-CD2 3.82Å; V193-L299 HydrophobicContact CG1-CG 4.07Å; V199-L299 HydrophobicContact CG1-CD1 4.39Å; F226-L299 HydrophobicContact CB-CD1 3.77Å; F226-L299 HydrophobicContact CD1-CD1 3.88Å; F226-L299 HydrophobicContact CD1-CD2 4.3Å; F226-L299 HydrophobicContact CD1-CG 3.99Å; F226-L299 HydrophobicContact CE1-CD2 4.32Å; F226-L299 HydrophobicContact CE1-CG 4.29Å; F226-L299 HydrophobicContact CG-CD1 3.89Å; F226-L299 HydrophobicContact CG-CD2 4.41Å; F226-L299 HydrophobicContact CG-CG 4.35Å; F226-L299 HydrophobicContact CZ-CD2 4.45Å; F282-L299 HydrophobicContact CE1-CD2 3.87Å; F282-L299 HydrophobicContact CZ-CD2 3.65Å; Y286-L299 HydrophobicContact CE2-CB 4.31Å; Y286-L299 PolarHBondContact OH-N 2.72Å; L299-V301 HydrophobicContact CB-CG1 4.27Å; L299-V301 HydrophobicContact CD2-CG1 3.87Å; L299-V301 HydrophobicContact CG-CG1 4.22Å; L299-V301 PolarHBondContact O-N 3.34Å | ||
| 300 | P | 89 | Confident | 91.5 | Very high | 85 Ų | 85 | 88.2 Ų | 88.2 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | trans | -75.7 | 72 | 179.5 | 31.7 | -34.8 | 0 | 0 | 0 | 110.1 | R224 F226 | R224-P300 VanDerWaalsContact CZ-O 3.28Å; R224-P300 PolarHBondContact NH1-O 3.24Å; R224-P300 PolarHBondContact NH2-O 3.32Å; F226-P300 HydrophobicContact CD1-CG 4.26Å; F226-P300 WeakPolarHBondContact CE1-O 3.5Å | ||
| 301 | V | 85.3 | Confident | 91.1 | Very high | 40 Ų | 40 | 86.8 Ų | 86.8 | 24% | 0.242 | 49% | 0.491 | C | S | . | . | trans | -71.8 | 145.3 | 174.4 | -64.8 | 0 | 0 | 0 | 0 | 110.4 | F282 Y286 L299 | F282-V301 HydrophobicContact CE1-CG1 3.73Å; F282-V301 HydrophobicContact CZ-CG1 4.16Å; Y286-V301 HydrophobicContact CD1-CG1 4.15Å; Y286-V301 HydrophobicContact CD1-CG2 3.78Å; Y286-V301 HydrophobicContact CE1-CG1 4.27Å; Y286-V301 HydrophobicContact CE1-CG2 3.71Å; L299-V301 HydrophobicContact CB-CG1 4.27Å; L299-V301 HydrophobicContact CD2-CG1 3.87Å; L299-V301 HydrophobicContact CG-CG1 4.22Å; L299-V301 PolarHBondContact O-N 3.34Å | ||
| 302 | D | 72.3 | Confident | 90.6 | Very high | 143 Ų | 143 | 86.7 Ų | 86.7 | 77% | 0.765 | 47% | 0.47 | S | S | * | . | trans | -72.3 | 0 | 171.7 | -55.7 | -50.2 | 0 | 0 | 0 | 111.8 | R201 R224 Q283 | R201-D302 IonicContact NH1-OD2 2.75Å; R201-D302 PolarHBondContact NH1-OD2 2.74Å; R201-D302 VanDerWaalsContact NH1-OD2 3.16Å; R224-D302 IonicContact CZ-OD1 2.81Å; R224-D302 IonicContact NH1-OD1 3.16Å; R224-D302 PolarHBondContact NH1-OD1 3.39Å; R224-D302 IonicContact NH1-OD2 2.63Å; R224-D302 PolarHBondContact NH1-OD2 3.32Å; R224-D302 VanDerWaalsContact NH1-OD2 3.13Å; Q283-D302 PolarHBondContact NE2-O 3.31Å; Q283-D302 VanDerWaalsContact NE2-O 3.12Å |
Retrieved 302 of 302 residues in 123.3 ms
(Link to these results)