| 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 | 32.6 | Very low | 34.2 | Very low | 246 Ų | 246 | 132.4 Ų | 132.4 | 100% | 1.212 | 83% | 0.827 | S | S | * | * | 0 | 122.8 | 0 | -78.4 | -175.1 | 179.2 | 0 | 0 | 108 | |||||
| 2 | G | 32.8 | Very low | 36.5 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 64.1 | 133.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 3 | N | 30.2 | Very low | 38.5 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | cis | -156.5 | 126.4 | 20.4 | -154.9 | 12.6 | 0 | 0 | 0 | 107.9 | ||||
| 4 | S | 32.9 | Very low | 41 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -81 | 149.6 | -177.5 | -50.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | G | 30.8 | Very low | 44 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | -57.8 | 145.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H7 | G5-H7 PolarHBondContact O-N 3.05Å; G5-H7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | S | 32.3 | Very low | 47 | Very low | 118 Ų | 118 | 112.9 Ų | 112.9 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -56.2 | 107.1 | 163.3 | 38.1 | 0 | 0 | 0 | 0 | 110.4 | V8 | S6-V8 PolarHBondContact O-N 3.01Š| ||
| 7 | H | 32 | Very low | 49.7 | Very low | 168 Ų | 168 | 113 Ų | 113 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | trans | -73.3 | 112.5 | 169 | -87.9 | -68 | 0 | 0 | 0 | 109.9 | G5 G9 | G5-H7 PolarHBondContact O-N 3.05Å; G5-H7 VanDerWaalsContact O-N 3.16Å; H7-G9 PolarHBondContact O-N 3.02Å; H7-G9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | V | 33.8 | Very low | 52.1 | Low | 147 Ų | 147 | 112.9 Ų | 112.9 | 89% | 0.891 | 68% | 0.679 | S | S | * | * | trans | -74.9 | 89.8 | 163.5 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | S6 | S6-V8 PolarHBondContact O-N 3.01Š| ||
| 9 | G | 34.6 | Very low | 54.3 | Low | 58 Ų | 58 | 115.5 Ų | 115.5 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | trans | -122.9 | 113.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | H7 S11 | H7-G9 PolarHBondContact O-N 3.02Å; H7-G9 VanDerWaalsContact O-N 3.14Å; G9-S11 PolarHBondContact O-N 3.37Å | ||
| 10 | Q | 38.8 | Very low | 56.3 | Low | 189 Ų | 189 | 110.9 Ų | 110.9 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | trans | -59.8 | 111.6 | 171.3 | -83.9 | 176.6 | -28.9 | 0 | 0 | 107.3 | F12 | Q10-F12 PolarHBondContact O-N 2.94Å; Q10-F12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | S | 45.4 | Very low | 58.1 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | trans | -67.2 | 111.1 | 172.2 | 67.6 | 0 | 0 | 0 | 0 | 107.4 | G9 C13 | G9-S11 PolarHBondContact O-N 3.37Å; S11-C13 PolarHBondContact O-N 3.33Å | ||
| 12 | F | 61.9 | Low | 61.1 | Low | 75 Ų | 75 | 97.6 Ų | 97.6 | 33% | 0.329 | 59% | 0.59 | S | S | . | * | trans | -59.7 | 120.2 | 171.3 | 170.5 | -95.6 | 0 | 0 | 0 | 109.1 | Q10 T92 A93 | Q10-F12 PolarHBondContact O-N 2.94Å; Q10-F12 VanDerWaalsContact O-N 3.08Å; F12-T92 HydrophobicContact CE1-CG2 4.01Å; F12-T92 HydrophobicContact CZ-CG2 4.41Å; F12-A93 HydrophobicContact CD1-CB 4.27Å; F12-A93 HydrophobicContact CD2-CB 3.84Å; F12-A93 HydrophobicContact CE1-CB 4.09Å; F12-A93 VanDerWaalsContact CE2-CA 3.45Å; F12-A93 HydrophobicContact CE2-CB 3.65Å; F12-A93 HydrophobicContact CG-CB 4.18Å; F12-A93 HydrophobicContact CZ-CB 3.81Å | ||
| 13 | C | 61.6 | Low | 64.1 | Low | 95 Ų | 95 | 96.6 Ų | 96.6 | 64% | 0.642 | 56% | 0.564 | S | S | * | * | trans | -109.8 | 123.8 | 169.9 | -80.5 | 0 | 0 | 0 | 0 | 108.8 | S11 | S11-C13 PolarHBondContact O-N 3.33Š| ||
| 14 | S | 74.1 | Confident | 67.2 | Low | 42 Ų | 42 | 88.7 Ų | 88.7 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | trans | -58 | 136.4 | 170.6 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | F16 Q21 | S14-F16 VanDerWaalsContact C-N 3.33Å; S14-F16 VanDerWaalsContact OG-CD2 3.27Å; S14-F16 WeakPolarHBondContact OG-CD2 3.45Å; S14-F16 PolarHBondContact OG-N 3.43Å; S14-Q21 PolarHBondContact OG-OE1 3.09Å | ||
| 15 | R | 86.8 | Confident | 70.1 | Confident | 120 Ų | 120 | 85.2 Ų | 85.2 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | trans | -92.7 | 5.6 | 175.6 | -63.4 | -178.6 | -176.3 | 172.8 | 2.5 | 112.8 | K100 E105 | R15-K100 HydrophobicContact CB-CB 4.1Å; R15-K100 PolarHBondContact NH1-O 3.15Å; R15-E105 IonicContact CZ-OE1 3.21Å; R15-E105 VanDerWaalsContact CZ-OE1 3.23Å; R15-E105 IonicContact CZ-OE2 2.68Å; R15-E105 IonicContact NE-OE1 3.71Å; R15-E105 IonicContact NH1-OE1 3.18Å; R15-E105 IonicContact NH1-OE2 3.68Å; R15-E105 PolarHBondContact NH1-OE2 3.4Å; R15-E105 IonicContact NH2-OE1 2.74Å; R15-E105 PolarHBondContact NH2-OE1 2.81Å; R15-E105 IonicContact NH2-OE2 3.67Å; R15-E105 PolarHBondContact NH2-OE2 3.42Å | ||
| 16 | F | 91.9 | Very high | 73.2 | Confident | 18 Ų | 18 | 90 Ų | 90 | 8% | 0.079 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -79.7 | 144.3 | -179 | -68.1 | -60.6 | 0 | 0 | 0 | 111.4 | S14 E20 Q21 I24 M95 L99 K100 L221 | S14-F16 VanDerWaalsContact C-N 3.33Å; S14-F16 VanDerWaalsContact OG-CD2 3.27Å; S14-F16 WeakPolarHBondContact OG-CD2 3.45Å; S14-F16 PolarHBondContact OG-N 3.43Å; F16-E20 HydrophobicContact CB-CB 3.88Å; F16-E20 HydrophobicContact CD1-CB 3.94Å; F16-E20 HydrophobicContact CG-CB 4.25Å; F16-Q21 HydrophobicContact CB-CB 4.15Å; F16-I24 HydrophobicContact CD2-CG1 4.12Å; F16-I24 HydrophobicContact CE2-CD1 4.21Å; F16-I24 HydrophobicContact CE2-CG1 3.98Å; F16-I24 HydrophobicContact CZ-CD1 4.13Å; F16-I24 HydrophobicContact CZ-CG1 4.24Å; F16-M95 HydrophobicContact CE2-CB 4.02Å; F16-M95 HydrophobicContact CZ-CB 4.04Å; F16-L99 HydrophobicContact CE1-CB 4.41Å; F16-L99 HydrophobicContact CZ-CB 4.37Å; F16-L99 HydrophobicContact CZ-CD1 4.31Å; F16-K100 HydrophobicContact CD1-CG 3.98Å; F16-K100 HydrophobicContact CE1-CD 4.32Å; F16-K100 HydrophobicContact CE1-CG 3.59Å; F16-K100 HydrophobicContact CZ-CG 4.23Å; F16-L221 HydrophobicContact CD1-CD1 4.02Å; F16-L221 HydrophobicContact CE1-CD1 3.59Å; F16-L221 HydrophobicContact CZ-CD1 4.34Å |
| 17 | L | 92.6 | Very high | 76.2 | Confident | 115 Ų | 115 | 85 Ų | 85 | 60% | 0.602 | 46% | 0.456 | S | S | * | . | trans | -64.3 | 158.4 | 165.4 | -62.6 | 176.2 | 0 | 0 | 0 | 109.9 | E19 E20 Q21 | L17-E19 PolarHBondContact O-N 3.11Å; L17-E19 VanDerWaalsContact O-N 3.16Å; L17-E20 HydrophobicContact CB-CG 4.18Å; L17-E20 PolarHBondContact N-OE2 3.49Å; L17-E20 WeakPolarHBondContact O-CB 3.38Å; L17-E20 PolarHBondContact O-N 3.47Å; L17-Q21 PolarHBondContact O-N 3.49Å | ||
| 18 | P | 92.8 | Very high | 79.2 | Confident | 111 Ų | 111 | 77 Ų | 77 | 72% | 0.721 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -53.8 | -38.4 | -178.4 | -28.7 | 36 | 0 | 0 | 0 | 114.3 | A22 | P18-A22 WeakPolarHBondContact O-CB 3.39Å; P18-A22 PolarHBondContact O-N 3.45Å |
| 19 | E | 93.3 | Very high | 82.1 | Confident | 162 Ų | 162 | 74.5 Ų | 74.5 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.7 | -42.6 | 177.1 | -63.5 | 177.8 | -175 | 0 | 0 | 112 | L17 A22 E23 | L17-E19 PolarHBondContact O-N 3.11Å; L17-E19 VanDerWaalsContact O-N 3.16Å; E19-A22 PolarHBondContact O-N 3.46Å; E19-E23 PolarHBondContact O-N 3.44Å; E19-E23 VanDerWaalsContact O-N 3.13Å |
| 20 | E | 94.6 | Very high | 84.9 | Confident | 24 Ų | 24 | 74 Ų | 74 | 11% | 0.112 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.1 | -62.9 | -176.7 | 128.9 | 0 | 0 | 110.8 | F16 L17 A22 E23 I24 K100 L221 | F16-E20 HydrophobicContact CB-CB 3.88Å; F16-E20 HydrophobicContact CD1-CB 3.94Å; F16-E20 HydrophobicContact CG-CB 4.25Å; L17-E20 HydrophobicContact CB-CG 4.18Å; L17-E20 PolarHBondContact N-OE2 3.49Å; L17-E20 WeakPolarHBondContact O-CB 3.38Å; L17-E20 PolarHBondContact O-N 3.47Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 3.3Å; E20-E23 WeakPolarHBondContact O-CB 3.47Å; E20-E23 PolarHBondContact O-N 2.87Å; E20-E23 VanDerWaalsContact O-N 3.13Å; E20-I24 WeakPolarHBondContact O-CG1 3.38Å; E20-I24 PolarHBondContact O-N 3.34Å; E20-K100 WeakPolarHBondContact OE1-CE 3.19Å; E20-K100 IonicContact OE1-NZ 2.72Å; E20-K100 PolarHBondContact OE1-NZ 3.05Å; E20-K100 IonicContact OE2-NZ 3.48Å; E20-K100 PolarHBondContact OE2-NZ 3.44Å; E20-L221 HydrophobicContact CB-CD1 4.35Å; E20-L221 HydrophobicContact CB-CD2 3.61Å; E20-L221 HydrophobicContact CG-CD2 3.84Å |
| 21 | Q | 94.8 | Very high | 87.5 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 176.4 | -174.3 | 61.1 | 54.5 | 0 | 0 | 111.1 | S14 F16 L17 E23 I24 D25 | S14-Q21 PolarHBondContact OG-OE1 3.09Å; F16-Q21 HydrophobicContact CB-CB 4.15Å; L17-Q21 PolarHBondContact O-N 3.49Å; Q21-E23 VanDerWaalsContact C-N 3.29Å; Q21-E23 PolarHBondContact O-N 3.27Å; Q21-I24 PolarHBondContact O-N 2.67Å; Q21-D25 PolarHBondContact NE2-OD1 3.39Å; Q21-D25 PolarHBondContact NE2-OD2 3.29Å; Q21-D25 WeakPolarHBondContact O-CB 3.33Å; Q21-D25 VanDerWaalsContact O-CG 3.28Å; Q21-D25 PolarHBondContact O-N 3.45Å |
| 22 | A | 94.5 | Very high | 89.6 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.3 | -28.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P18 E19 E20 R26 | P18-A22 WeakPolarHBondContact O-CB 3.39Å; P18-A22 PolarHBondContact O-N 3.45Å; E19-A22 PolarHBondContact O-N 3.46Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 3.3Å; A22-R26 WeakPolarHBondContact O-CB 3.5Å; A22-R26 WeakPolarHBondContact O-CG 3.21Å; A22-R26 PolarHBondContact O-N 3.19Å; A22-R26 VanDerWaalsContact O-N 3.16Å; A22-R26 PolarHBondContact O-NE 3.11Å; A22-R26 VanDerWaalsContact O-NE 3.08Å |
| 23 | E | 96.1 | Very high | 90.2 | Very high | 59 Ų | 59 | 61.4 Ų | 61.4 | 28% | 0.276 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.8 | -44.2 | 169.2 | -80.6 | -174.4 | -136.9 | 0 | 0 | 112.3 | E19 E20 Q21 R26 L27 L221 | E19-E23 PolarHBondContact O-N 3.44Å; E19-E23 VanDerWaalsContact O-N 3.13Å; E20-E23 WeakPolarHBondContact O-CB 3.47Å; E20-E23 PolarHBondContact O-N 2.87Å; E20-E23 VanDerWaalsContact O-N 3.13Å; Q21-E23 VanDerWaalsContact C-N 3.29Å; Q21-E23 PolarHBondContact O-N 3.27Å; E23-R26 PolarHBondContact O-N 3.48Å; E23-L27 PolarHBondContact O-N 3.29Å; E23-L221 HydrophobicContact CB-CD2 3.8Å; E23-L221 HydrophobicContact CG-CD2 4.32Å; E23-L221 VanDerWaalsContact OE2-CA 3.3Å; E23-L221 WeakPolarHBondContact OE2-CA 3.05Å; E23-L221 PolarHBondContact OE2-N 2.82Å |
| 24 | I | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 176.8 | -64.4 | -69.8 | 0 | 0 | 0 | 110.7 | F16 E20 Q21 L27 F28 F91 M95 V220 L221 | F16-I24 HydrophobicContact CD2-CG1 4.12Å; F16-I24 HydrophobicContact CE2-CD1 4.21Å; F16-I24 HydrophobicContact CE2-CG1 3.98Å; F16-I24 HydrophobicContact CZ-CD1 4.13Å; F16-I24 HydrophobicContact CZ-CG1 4.24Å; E20-I24 WeakPolarHBondContact O-CG1 3.38Å; E20-I24 PolarHBondContact O-N 3.34Å; Q21-I24 PolarHBondContact O-N 2.67Å; I24-L27 PolarHBondContact O-N 2.89Å; I24-F28 PolarHBondContact O-N 3.07Å; I24-F91 HydrophobicContact CG2-CD1 4.02Å; I24-F91 HydrophobicContact CG2-CE1 3.76Å; I24-F91 WeakPolarHBondContact O-CE1 3.48Å; I24-M95 HydrophobicContact CD1-CB 3.9Å; I24-M95 HydrophobicContact CD1-CG 4.02Å; I24-V220 HydrophobicContact CD1-CG2 3.74Å; I24-L221 HydrophobicContact CD1-CD1 4.09Å; I24-L221 HydrophobicContact CD1-CG 4.5Å; I24-L221 HydrophobicContact CG1-CD1 4.36Å |
| 25 | D | 94.3 | Very high | 89.2 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 179.3 | -67.5 | -27.6 | 0 | 0 | 0 | 111.6 | Q21 L27 F28 D29 Q88 | Q21-D25 PolarHBondContact NE2-OD1 3.39Å; Q21-D25 PolarHBondContact NE2-OD2 3.29Å; Q21-D25 WeakPolarHBondContact O-CB 3.33Å; Q21-D25 VanDerWaalsContact O-CG 3.28Å; Q21-D25 PolarHBondContact O-N 3.45Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.24Å; D25-F28 WeakPolarHBondContact O-CB 3.49Å; D25-F28 PolarHBondContact O-N 2.86Å; D25-F28 VanDerWaalsContact O-N 3.17Å; D25-D29 PolarHBondContact O-N 3.47Å; D25-Q88 PolarHBondContact OD1-NE2 2.98Å |
| 26 | R | 95.2 | Very high | 87.4 | Confident | 162 Ų | 162 | 67.5 Ų | 67.5 | 61% | 0.611 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.6 | -41.5 | 174.8 | -81.6 | -176.4 | -69.8 | 156.7 | -11 | 112.8 | A22 E23 A30 | A22-R26 WeakPolarHBondContact O-CB 3.5Å; A22-R26 WeakPolarHBondContact O-CG 3.21Å; A22-R26 PolarHBondContact O-N 3.19Å; A22-R26 VanDerWaalsContact O-N 3.16Å; A22-R26 PolarHBondContact O-NE 3.11Å; A22-R26 VanDerWaalsContact O-NE 3.08Å; E23-R26 PolarHBondContact O-N 3.48Å; R26-A30 PolarHBondContact O-N 3.42Å; R26-A30 VanDerWaalsContact O-N 3.09Å |
| 27 | L | 95.6 | Very high | 85.3 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.073 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175 | 174.2 | 58.3 | 0 | 0 | 0 | 110.7 | E23 I24 D25 D29 A30 L31 H53 F91 F218 V220 | E23-L27 PolarHBondContact O-N 3.29Å; I24-L27 PolarHBondContact O-N 2.89Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.24Å; L27-D29 PolarHBondContact O-N 3.02Å; L27-A30 WeakPolarHBondContact O-CB 3.31Å; L27-A30 PolarHBondContact O-N 2.89Å; L27-L31 HydrophobicContact CD1-CD1 4.11Å; L27-L31 HydrophobicContact CD1-CG 4.17Å; L27-L31 HydrophobicContact CG-CD1 4.04Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.08Å; L27-L31 PolarHBondContact O-N 3.4Å; L27-H53 WeakPolarHBondContact CD1-NE2 3.49Å; L27-F91 HydrophobicContact CB-CZ 4.49Å; L27-F91 HydrophobicContact CD2-CZ 3.75Å; L27-F91 HydrophobicContact CG-CZ 3.93Å; L27-F218 HydrophobicContact CD2-CB 4.13Å; L27-F218 HydrophobicContact CD2-CD2 4.34Å; L27-V220 HydrophobicContact CB-CG2 4.47Å; L27-V220 HydrophobicContact CD2-CB 3.76Å; L27-V220 HydrophobicContact CD2-CG1 4.06Å; L27-V220 HydrophobicContact CD2-CG2 3.92Å |
| 28 | F | 95.5 | Very high | 83 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 177.6 | -177.1 | -93.4 | 0 | 0 | 0 | 112.7 | I24 D25 A30 L31 S32 F45 Q88 F91 | I24-F28 PolarHBondContact O-N 3.07Å; D25-F28 WeakPolarHBondContact O-CB 3.49Å; D25-F28 PolarHBondContact O-N 2.86Å; D25-F28 VanDerWaalsContact O-N 3.17Å; F28-A30 VanDerWaalsContact C-N 3.32Å; F28-A30 PolarHBondContact O-N 3.17Å; F28-L31 PolarHBondContact O-N 3.08Å; F28-S32 WeakPolarHBondContact CE1-OG 3.17Å; F28-S32 WeakPolarHBondContact CZ-OG 3.37Å; F28-S32 WeakPolarHBondContact O-CB 3.34Å; F28-S32 PolarHBondContact O-N 3.38Å; F28-S32 PolarHBondContact O-OG 3.16Å; F28-F45 AromaticContact CD2-CD1 3.82Å; F28-F45 HydrophobicContact CD2-CD1 3.82Å; F28-F45 AromaticContact CD2-CE1 3.83Å; F28-F45 HydrophobicContact CD2-CE1 3.83Å; F28-F45 AromaticContact CE2-CD1 3.55Å; F28-F45 HydrophobicContact CE2-CD1 3.55Å; F28-F45 AromaticContact CE2-CE1 3.8Å; F28-F45 HydrophobicContact CE2-CE1 3.8Å; F28-F45 HydrophobicContact CZ-CD1 4.45Å; F28-Q88 HydrophobicContact CD1-CB 4.03Å; F28-Q88 HydrophobicContact CD1-CG 3.83Å; F28-Q88 HydrophobicContact CD2-CB 4.43Å; F28-Q88 HydrophobicContact CD2-CG 4.48Å; F28-Q88 HydrophobicContact CE1-CB 3.57Å; F28-Q88 HydrophobicContact CE1-CG 3.9Å; F28-Q88 HydrophobicContact CE2-CB 4.01Å; F28-Q88 HydrophobicContact CG-CB 4.43Å; F28-Q88 HydrophobicContact CG-CG 4.13Å; F28-Q88 HydrophobicContact CZ-CB 3.56Å; F28-Q88 HydrophobicContact CZ-CG 4.27Å; F28-F91 HydrophobicContact CB-CD1 3.84Å; F28-F91 HydrophobicContact CB-CE1 3.92Å; F28-F91 HydrophobicContact CD2-CB 3.73Å; F28-F91 AromaticContact CD2-CD1 3.73Å; F28-F91 HydrophobicContact CD2-CD1 3.73Å; F28-F91 HydrophobicContact CD2-CD2 4.49Å; F28-F91 HydrophobicContact CD2-CE1 4.46Å; F28-F91 AromaticContact CD2-CG 3.74Å; F28-F91 HydrophobicContact CD2-CG 3.74Å; F28-F91 HydrophobicContact CE2-CB 4.06Å; F28-F91 HydrophobicContact CG-CD1 4.21Å |
| 29 | D | 93.5 | Very high | 80.8 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.5 | -73.6 | -20.7 | 0 | 0 | 0 | 111.4 | D25 L27 L31 S32 S33 | D25-D29 PolarHBondContact O-N 3.47Å; L27-D29 PolarHBondContact O-N 3.02Å; D29-L31 PolarHBondContact O-N 3.02Å; D29-S32 PolarHBondContact O-N 3.3Å; D29-S33 WeakPolarHBondContact O-CB 3.16Å; D29-S33 PolarHBondContact O-N 3.38Å; D29-S33 VanDerWaalsContact O-N 3.11Å |
| 30 | A | 93.1 | Very high | 78.7 | Confident | 46 Ų | 46 | 68.7 Ų | 68.7 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R26 L27 F28 S32 S33 | R26-A30 PolarHBondContact O-N 3.42Å; R26-A30 VanDerWaalsContact O-N 3.09Å; L27-A30 WeakPolarHBondContact O-CB 3.31Å; L27-A30 PolarHBondContact O-N 2.89Å; F28-A30 VanDerWaalsContact C-N 3.32Å; F28-A30 PolarHBondContact O-N 3.17Å; A30-S32 VanDerWaalsContact C-N 3.33Å; A30-S32 PolarHBondContact O-N 3Å; A30-S33 PolarHBondContact O-N 3.13Å; A30-S33 PolarHBondContact O-OG 3.13Å |
| 31 | L | 93.4 | Very high | 76.6 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.016 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.8 | -33.9 | 177.5 | -68.7 | 169.1 | 0 | 0 | 0 | 112.9 | L27 F28 D29 S33 F45 A49 L50 H53 F91 | L27-L31 HydrophobicContact CD1-CD1 4.11Å; L27-L31 HydrophobicContact CD1-CG 4.17Å; L27-L31 HydrophobicContact CG-CD1 4.04Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.08Å; L27-L31 PolarHBondContact O-N 3.4Å; F28-L31 PolarHBondContact O-N 3.08Å; D29-L31 PolarHBondContact O-N 3.02Å; L31-S33 VanDerWaalsContact C-N 3.35Å; L31-F45 HydrophobicContact CB-CB 3.93Å; L31-F45 HydrophobicContact CB-CD1 3.91Å; L31-F45 HydrophobicContact CB-CD2 4.33Å; L31-F45 HydrophobicContact CB-CG 3.81Å; L31-F45 HydrophobicContact CD1-CD1 4.2Å; L31-F45 HydrophobicContact CD1-CE1 3.97Å; L31-F45 HydrophobicContact CD1-CE2 4.33Å; L31-F45 HydrophobicContact CD1-CG 4.48Å; L31-F45 HydrophobicContact CD1-CZ 4.04Å; L31-F45 WeakPolarHBondContact O-CB 3.42Å; L31-A49 WeakPolarHBondContact O-CB 3.28Å; L31-L50 HydrophobicContact CD1-CD1 4.22Å; L31-L50 HydrophobicContact CD2-CB 4.43Å; L31-L50 HydrophobicContact CD2-CD1 3.82Å; L31-H53 HydrophobicContact CD2-CB 3.45Å; L31-H53 VanDerWaalsContact CD2-CB 3.45Å; L31-F91 HydrophobicContact CD1-CE2 4.04Å; L31-F91 HydrophobicContact CD1-CZ 4.23Å |
| 32 | S | 89.6 | Confident | 74.9 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 16% | 0.161 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -82.6 | -12.8 | -177.4 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | F28 D29 A30 D34 | F28-S32 WeakPolarHBondContact CE1-OG 3.17Å; F28-S32 WeakPolarHBondContact CZ-OG 3.37Å; F28-S32 WeakPolarHBondContact O-CB 3.34Å; F28-S32 PolarHBondContact O-N 3.38Å; F28-S32 PolarHBondContact O-OG 3.16Å; D29-S32 PolarHBondContact O-N 3.3Å; A30-S32 VanDerWaalsContact C-N 3.33Å; A30-S32 PolarHBondContact O-N 3Å; S32-D34 VanDerWaalsContact C-N 3.31Å; S32-D34 PolarHBondContact O-N 3.18Å |
| 33 | S | 76.2 | Confident | 74.3 | Confident | 78 Ų | 78 | 79 Ų | 79 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.1 | -175.2 | 72.2 | 0 | 0 | 0 | 0 | 115.5 | D29 A30 L31 K35 | D29-S33 WeakPolarHBondContact O-CB 3.16Å; D29-S33 PolarHBondContact O-N 3.38Å; D29-S33 VanDerWaalsContact O-N 3.11Å; A30-S33 PolarHBondContact O-N 3.13Å; A30-S33 PolarHBondContact O-OG 3.13Å; L31-S33 VanDerWaalsContact C-N 3.35Å; S33-K35 WeakPolarHBondContact O-CG 3.46Å; S33-K35 PolarHBondContact O-N 2.84Å |
| 34 | D | 61.5 | Low | 74.1 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | trans | -63 | 107.5 | -176.6 | -160.8 | -14.9 | 0 | 0 | 0 | 111.3 | S32 N36 A49 N52 | S32-D34 VanDerWaalsContact C-N 3.31Å; S32-D34 PolarHBondContact O-N 3.18Å; D34-N36 PolarHBondContact O-N 2.95Å; D34-N36 PolarHBondContact OD1-ND2 3.39Å; D34-A49 HydrophobicContact CB-CB 4.09Å; D34-N52 PolarHBondContact OD2-ND2 2.89Å | ||
| 35 | K | 52.1 | Low | 74 | Confident | 202 Ų | 202 | 77.3 Ų | 77.3 | 88% | 0.878 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 6.4 | -168 | -65 | -177 | 178.3 | 176 | 0 | 115.1 | S33 | S33-K35 WeakPolarHBondContact O-CG 3.46Å; S33-K35 PolarHBondContact O-N 2.84Å |
| 36 | N | 49.9 | Very low | 74 | Confident | 129 Ų | 129 | 77.1 Ų | 77.1 | 69% | 0.69 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 0.7 | -170.3 | -71.7 | -49.1 | 0 | 0 | 0 | 115.2 | D34 | D34-N36 PolarHBondContact O-N 2.95Å; D34-N36 PolarHBondContact OD1-ND2 3.39Å |
| 37 | S | 46.5 | Very low | 74.1 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -128.7 | 114.1 | 175.2 | -79.4 | 0 | 0 | 0 | 0 | 111 | N39 | S37-N39 PolarHBondContact O-N 3.3Š| ||
| 38 | P | 45.5 | Very low | 74 | Confident | 133 Ų | 133 | 77.1 Ų | 77.1 | 86% | 0.864 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -2.1 | -177 | -17.3 | 29.8 | 0 | 0 | 0 | 115.1 | ||
| 39 | N | 45.7 | Very low | 74 | Confident | 159 Ų | 159 | 77.4 Ų | 77.4 | 85% | 0.85 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131 | 11.7 | -169.4 | -82.7 | -12.4 | 0 | 0 | 0 | 115 | S37 S41 | S37-N39 PolarHBondContact O-N 3.3Å; N39-S41 PolarHBondContact O-N 3.01Å |
| 40 | V | 48.6 | Very low | 74.1 | Confident | 67 Ų | 67 | 72.9 Ų | 72.9 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | trans | -84.7 | 108.7 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | S42 | V40-S42 PolarHBondContact O-N 3.44Š| ||
| 41 | S | 51.3 | Low | 74.3 | Confident | 76 Ų | 76 | 73.3 Ų | 73.3 | 53% | 0.531 | 41% | 0.41 | S | S | . | . | trans | -51.9 | 140.6 | 166.2 | 60.2 | 0 | 0 | 0 | 0 | 109.1 | N39 K43 | N39-S41 PolarHBondContact O-N 3.01Å; S41-K43 PolarHBondContact O-N 3.39Å | ||
| 42 | S | 59.8 | Low | 74.3 | Confident | 101 Ų | 101 | 77.6 Ų | 77.6 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 39.7 | -178.5 | 64.1 | 0 | 0 | 0 | 0 | 115.6 | V40 | V40-S42 PolarHBondContact O-N 3.44Š|
| 43 | K | 81.1 | Confident | 74.6 | Confident | 140 Ų | 140 | 80.3 Ų | 80.3 | 61% | 0.609 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.8 | 2.6 | -166.6 | -62.7 | -167.3 | 176.7 | -169.1 | 0 | 113.8 | S41 S87 Q88 | S41-K43 PolarHBondContact O-N 3.39Å; K43-S87 WeakPolarHBondContact O-CA 3.44Å; K43-Q88 PolarHBondContact O-N 2.9Å |
| 44 | S | 91.3 | Very high | 75.5 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 160.5 | 176.1 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | V86 | S44-V86 CarbonylContact C-O 3.56Å; S44-V86 WeakPolarHBondContact CA-O 3.34Å; S44-V86 WeakPolarHBondContact CB-O 3.49Å |
| 45 | F | 94.4 | Very high | 77.1 | Confident | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.018 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 154.5 | 174.7 | 68.8 | -95.6 | 0 | 0 | 0 | 112.5 | F28 L31 A49 L50 Y67 M70 N85 V86 F91 | F28-F45 AromaticContact CD2-CD1 3.82Å; F28-F45 HydrophobicContact CD2-CD1 3.82Å; F28-F45 AromaticContact CD2-CE1 3.83Å; F28-F45 HydrophobicContact CD2-CE1 3.83Å; F28-F45 AromaticContact CE2-CD1 3.55Å; F28-F45 HydrophobicContact CE2-CD1 3.55Å; F28-F45 AromaticContact CE2-CE1 3.8Å; F28-F45 HydrophobicContact CE2-CE1 3.8Å; F28-F45 HydrophobicContact CZ-CD1 4.45Å; L31-F45 HydrophobicContact CB-CB 3.93Å; L31-F45 HydrophobicContact CB-CD1 3.91Å; L31-F45 HydrophobicContact CB-CD2 4.33Å; L31-F45 HydrophobicContact CB-CG 3.81Å; L31-F45 HydrophobicContact CD1-CD1 4.2Å; L31-F45 HydrophobicContact CD1-CE1 3.97Å; L31-F45 HydrophobicContact CD1-CE2 4.33Å; L31-F45 HydrophobicContact CD1-CG 4.48Å; L31-F45 HydrophobicContact CD1-CZ 4.04Å; L31-F45 WeakPolarHBondContact O-CB 3.42Å; F45-A49 HydrophobicContact CB-CB 4.35Å; F45-L50 HydrophobicContact CD2-CB 4.31Å; F45-L50 HydrophobicContact CE2-CB 4.09Å; F45-L50 HydrophobicContact CE2-CD2 4.39Å; F45-Y67 HydrophobicContact CD2-CE2 4.3Å; F45-Y67 HydrophobicContact CE2-CD2 4.01Å; F45-Y67 HydrophobicContact CE2-CE2 4.15Å; F45-M70 HydrophobicContact CE2-CE 4.28Å; F45-M70 HydrophobicContact CZ-CE 3.92Å; F45-M70 HydrophobicContact CZ-SD 4.35Å; F45-N85 WeakPolarHBondContact O-CB 3.46Å; F45-V86 HydrophobicContact CD1-CB 4.22Å; F45-V86 HydrophobicContact CD1-CG1 4.46Å; F45-V86 HydrophobicContact CD2-CB 4.44Å; F45-V86 HydrophobicContact CE1-CB 3.74Å; F45-V86 HydrophobicContact CE1-CG1 3.62Å; F45-V86 HydrophobicContact CE2-CB 3.98Å; F45-V86 HydrophobicContact CE2-CG1 4.47Å; F45-V86 HydrophobicContact CE2-CG2 4.12Å; F45-V86 HydrophobicContact CZ-CB 3.61Å; F45-V86 HydrophobicContact CZ-CG1 3.63Å; F45-V86 HydrophobicContact CZ-CG2 4.04Å; F45-V86 PolarHBondContact N-O 3.26Å; F45-V86 VanDerWaalsContact N-O 3.07Å; F45-V86 PolarHBondContact O-N 3.03Å; F45-F91 HydrophobicContact CE1-CB 4.24Å; F45-F91 AromaticContact CE1-CD2 3.59Å; F45-F91 HydrophobicContact CE1-CD2 3.59Å; F45-F91 HydrophobicContact CE1-CE2 4.17Å; F45-F91 HydrophobicContact CE1-CG 4.08Å; F45-F91 AromaticContact CZ-CD2 3.74Å; F45-F91 HydrophobicContact CZ-CD2 3.74Å; F45-F91 HydrophobicContact CZ-CE2 4.17Å |
| 46 | S | 95.2 | Very high | 79.1 | Confident | 41 Ų | 41 | 74.4 Ų | 74.4 | 29% | 0.287 | 42% | 0.421 | S | S | . | . | trans | -95.8 | 164.9 | -179.6 | 72.3 | 0 | 0 | 0 | 0 | 112.6 | K48 A49 L50 Y67 N85 | S46-K48 PolarHBondContact O-N 2.95Å; S46-A49 WeakPolarHBondContact O-CB 3.18Å; S46-A49 PolarHBondContact O-N 3.26Å; S46-A49 VanDerWaalsContact O-N 3.11Å; S46-A49 PolarHBondContact OG-N 3.14Å; S46-L50 PolarHBondContact O-N 3.49Å; S46-L50 VanDerWaalsContact O-N 3.14Å; S46-Y67 VanDerWaalsContact C-CE2 3.41Å; S46-N85 WeakPolarHBondContact CA-OD1 3.44Å; S46-N85 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 47 | L | 95.7 | Very high | 81.2 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56 | -39.2 | 174.1 | 176.8 | 59.7 | 0 | 0 | 0 | 111.7 | A49 L50 Q51 V63 T64 Y67 | L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 3.39Å; L47-L50 PolarHBondContact O-N 3.07Å; L47-Q51 HydrophobicContact CD1-CG 4.17Å; L47-Q51 HydrophobicContact CG-CG 4.32Å; L47-Q51 WeakPolarHBondContact O-CB 3.3Å; L47-Q51 VanDerWaalsContact O-CG 3.28Å; L47-Q51 WeakPolarHBondContact O-CG 3.45Å; L47-Q51 PolarHBondContact O-N 3.06Å; L47-V63 HydrophobicContact CD1-CG1 4.24Å; L47-T64 HydrophobicContact CD2-CG2 4.35Å; L47-Y67 HydrophobicContact CB-CD1 3.81Å; L47-Y67 HydrophobicContact CB-CD2 4.13Å; L47-Y67 HydrophobicContact CB-CE1 3.74Å; L47-Y67 HydrophobicContact CB-CE2 4.07Å; L47-Y67 HydrophobicContact CB-CG 4Å; L47-Y67 HydrophobicContact CD1-CD1 3.99Å; L47-Y67 HydrophobicContact CD1-CD2 4.3Å; L47-Y67 HydrophobicContact CD1-CG 3.71Å; L47-Y67 HydrophobicContact CG-CD1 4.32Å; L47-Y67 HydrophobicContact CG-CG 4.41Å; L47-Y67 VanDerWaalsContact N-CZ 3.27Å; L47-Y67 PolarHBondContact N-OH 3.39Å |
| 48 | K | 95 | Very high | 83.6 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.5 | -39.7 | 179 | -171.5 | 174.3 | -177.4 | 179.6 | 0 | 111.7 | S46 L50 Q51 N52 | S46-K48 PolarHBondContact O-N 2.95Å; K48-L50 VanDerWaalsContact C-N 3.34Å; K48-Q51 PolarHBondContact O-N 2.88Å; K48-N52 WeakPolarHBondContact O-CB 3.37Å; K48-N52 PolarHBondContact O-N 2.82Å; K48-N52 PolarHBondContact O-ND2 3.2Å; K48-N52 PolarHBondContact O-OD1 3.21Å |
| 49 | A | 95.1 | Very high | 86 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 5% | 0.05 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L31 D34 F45 S46 L47 N52 H53 | L31-A49 WeakPolarHBondContact O-CB 3.28Å; D34-A49 HydrophobicContact CB-CB 4.09Å; F45-A49 HydrophobicContact CB-CB 4.35Å; S46-A49 WeakPolarHBondContact O-CB 3.18Å; S46-A49 PolarHBondContact O-N 3.26Å; S46-A49 VanDerWaalsContact O-N 3.11Å; S46-A49 PolarHBondContact OG-N 3.14Å; L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 3.39Å; A49-N52 PolarHBondContact O-N 3.09Å; A49-H53 WeakPolarHBondContact O-CB 3.23Å; A49-H53 PolarHBondContact O-N 2.9Å |
| 50 | L | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 175 | -175.7 | 63.2 | 0 | 0 | 0 | 112.2 | L31 F45 S46 L47 K48 N52 H53 V54 V63 Y67 M70 F218 | L31-L50 HydrophobicContact CD1-CD1 4.22Å; L31-L50 HydrophobicContact CD2-CB 4.43Å; L31-L50 HydrophobicContact CD2-CD1 3.82Å; F45-L50 HydrophobicContact CD2-CB 4.31Å; F45-L50 HydrophobicContact CE2-CB 4.09Å; F45-L50 HydrophobicContact CE2-CD2 4.39Å; S46-L50 PolarHBondContact O-N 3.49Å; S46-L50 VanDerWaalsContact O-N 3.14Å; L47-L50 PolarHBondContact O-N 3.07Å; K48-L50 VanDerWaalsContact C-N 3.34Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 3.48Å; L50-H53 PolarHBondContact O-N 3.27Å; L50-V54 HydrophobicContact CD1-CG1 4.21Å; L50-V54 VanDerWaalsContact O-CG2 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.33Å; L50-V54 PolarHBondContact O-N 3.39Å; L50-V63 HydrophobicContact CD2-CG1 3.85Å; L50-V63 HydrophobicContact CG-CG1 3.91Å; L50-Y67 HydrophobicContact CD2-CD2 4.34Å; L50-M70 HydrophobicContact CD2-CE 3.92Å; L50-F218 HydrophobicContact CD1-CD2 4.3Å; L50-F218 HydrophobicContact CD1-CE2 3.77Å; L50-F218 HydrophobicContact CD1-CZ 4.04Å; L50-F218 HydrophobicContact CD2-CE2 4.47Å; L50-F218 HydrophobicContact CD2-CZ 4.24Å |
| 51 | Q | 96.1 | Very high | 90.5 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 175.7 | -72.8 | 168.9 | -11.4 | 0 | 0 | 111.9 | L47 K48 H53 G55 L60 V63 | L47-Q51 HydrophobicContact CD1-CG 4.17Å; L47-Q51 HydrophobicContact CG-CG 4.32Å; L47-Q51 WeakPolarHBondContact O-CB 3.3Å; L47-Q51 VanDerWaalsContact O-CG 3.28Å; L47-Q51 WeakPolarHBondContact O-CG 3.45Å; L47-Q51 PolarHBondContact O-N 3.06Å; K48-Q51 PolarHBondContact O-N 2.88Å; Q51-H53 VanDerWaalsContact C-N 3.31Å; Q51-H53 PolarHBondContact O-N 3.47Å; Q51-G55 WeakPolarHBondContact O-CA 3.25Å; Q51-G55 PolarHBondContact O-N 3.22Å; Q51-L60 HydrophobicContact CG-CD1 3.81Å; Q51-V63 HydrophobicContact CG-CG1 3.91Å |
| 52 | N | 94.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 176.7 | -70.5 | -18.1 | 0 | 0 | 0 | 111.9 | D34 K48 A49 L50 | D34-N52 PolarHBondContact OD2-ND2 2.89Å; K48-N52 WeakPolarHBondContact O-CB 3.37Å; K48-N52 PolarHBondContact O-N 2.82Å; K48-N52 PolarHBondContact O-ND2 3.2Å; K48-N52 PolarHBondContact O-OD1 3.21Å; A49-N52 PolarHBondContact O-N 3.09Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-N52 PolarHBondContact O-N 3.48Å |
| 53 | H | 94.6 | Very high | 94.5 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.7 | -47.6 | -179.7 | -178.8 | 87 | 0 | 0 | 0 | 112.6 | L27 L31 A49 L50 Q51 G55 | L27-H53 WeakPolarHBondContact CD1-NE2 3.49Å; L31-H53 HydrophobicContact CD2-CB 3.45Å; L31-H53 VanDerWaalsContact CD2-CB 3.45Å; A49-H53 WeakPolarHBondContact O-CB 3.23Å; A49-H53 PolarHBondContact O-N 2.9Å; L50-H53 PolarHBondContact O-N 3.27Å; Q51-H53 VanDerWaalsContact C-N 3.31Å; Q51-H53 PolarHBondContact O-N 3.47Å; H53-G55 VanDerWaalsContact C-N 3.34Å |
| 54 | V | 95.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76.1 | -23.7 | 180 | -61.5 | 0 | 0 | 0 | 0 | 112.7 | L50 E56 A57 V58 V63 F218 | L50-V54 HydrophobicContact CD1-CG1 4.21Å; L50-V54 VanDerWaalsContact O-CG2 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.33Å; L50-V54 PolarHBondContact O-N 3.39Å; V54-E56 PolarHBondContact O-N 2.74Å; V54-A57 WeakPolarHBondContact O-CB 3.49Å; V54-A57 PolarHBondContact O-N 3.38Å; V54-V58 HydrophobicContact CB-CG2 4.45Å; V54-V63 HydrophobicContact CG2-CG1 4.24Å; V54-V63 HydrophobicContact CG2-CG2 3.63Å; V54-F218 HydrophobicContact CG1-CD1 3.83Å; V54-F218 HydrophobicContact CG1-CE1 4.01Å; V54-F218 HydrophobicContact CG1-CG 4.3Å |
| 55 | G | 94.3 | Very high | 95.6 | Very high | 45 Ų | 45 | 48 Ų | 48 | 46% | 0.464 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -130.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q51 H53 A57 | Q51-G55 WeakPolarHBondContact O-CA 3.25Å; Q51-G55 PolarHBondContact O-N 3.22Å; H53-G55 VanDerWaalsContact C-N 3.34Å; G55-A57 VanDerWaalsContact C-N 3.31Å |
| 56 | E | 94.3 | Very high | 95.7 | Very high | 159 Ų | 159 | 48 Ų | 48 | 74% | 0.743 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 5.1 | 177.5 | -61.3 | -175.2 | 166.5 | 0 | 0 | 113.4 | V54 V58 H139 | V54-E56 PolarHBondContact O-N 2.74Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 3.22Å; E56-H139 PolarHBondContact O-NE2 2.89Å |
| 57 | A | 95.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -72 | -24.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V54 G55 H139 V140 | V54-A57 WeakPolarHBondContact O-CB 3.49Å; V54-A57 PolarHBondContact O-N 3.38Å; G55-A57 VanDerWaalsContact C-N 3.31Å; A57-H139 PolarHBondContact O-CD2 3.41Å; A57-V140 VanDerWaalsContact O-CG2 3.22Å; A57-V140 WeakPolarHBondContact O-CG2 3.37Å |
| 58 | V | 96.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -130.8 | 135.2 | 179.8 | -174.7 | 0 | 0 | 0 | 0 | 109 | V54 E56 M62 V63 V140 V213 G217 F218 | V54-V58 HydrophobicContact CB-CG2 4.45Å; E56-V58 VanDerWaalsContact C-N 3.31Å; E56-V58 PolarHBondContact O-N 3.22Å; V58-M62 HydrophobicContact CG1-CB 4Å; V58-M62 HydrophobicContact CG1-CG 4.03Å; V58-V63 HydrophobicContact CB-CG2 3.73Å; V58-V63 HydrophobicContact CG1-CG2 3.74Å; V58-V140 HydrophobicContact CG2-CG2 4.07Å; V58-V213 HydrophobicContact CG1-CG1 3.99Å; V58-G217 VanDerWaalsContact CG2-CA 3.43Å; V58-F218 HydrophobicContact CG2-CD1 4.41Å; V58-F218 HydrophobicContact CG2-CE1 4.45Å |
| 59 | P | 95.9 | Very high | 95.9 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 24% | 0.24 | 21% | 0.209 | C | C | . | . | trans | -57.9 | 140 | 176.4 | -25.9 | 36.3 | 0 | 0 | 0 | 112.6 | E61 M62 V63 H139 | P59-E61 PolarHBondContact O-N 3.13Å; P59-E61 VanDerWaalsContact O-N 3.15Å; P59-M62 PolarHBondContact O-N 2.83Å; P59-V63 PolarHBondContact O-N 3.19Å; P59-H139 HydrophobicContact CG-CB 3.86Å | ||
| 60 | L | 95.1 | Very high | 96 | Very high | 101 Ų | 101 | 39.2 Ų | 39.2 | 53% | 0.529 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54.6 | -38.3 | -173.8 | -171 | 64.4 | 0 | 0 | 0 | 113.6 | Q51 V63 T64 | Q51-L60 HydrophobicContact CG-CD1 3.81Å; L60-V63 PolarHBondContact O-N 2.95Å; L60-T64 WeakPolarHBondContact O-CB 3.37Å; L60-T64 PolarHBondContact O-N 3.03Å; L60-T64 PolarHBondContact O-OG1 3.43Å |
| 61 | E | 94.9 | Very high | 95.9 | Very high | 117 Ų | 117 | 42.2 Ų | 42.2 | 55% | 0.547 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 177.4 | -62.6 | -56.3 | 147.9 | 0 | 0 | 111.5 | P59 T64 R65 | P59-E61 PolarHBondContact O-N 3.13Å; P59-E61 VanDerWaalsContact O-N 3.15Å; E61-T64 PolarHBondContact O-N 3.49Å; E61-R65 VanDerWaalsContact O-CG 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.3Å; E61-R65 PolarHBondContact O-N 2.92Å |
| 62 | M | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.7 | -37.4 | 178.8 | -176.3 | 55 | 58.1 | 0 | 0 | 112.1 | V58 P59 T64 R65 L66 D132 L133 S136 V213 | V58-M62 HydrophobicContact CG1-CB 4Å; V58-M62 HydrophobicContact CG1-CG 4.03Å; P59-M62 PolarHBondContact O-N 2.83Å; M62-T64 VanDerWaalsContact C-N 3.31Å; M62-T64 PolarHBondContact O-N 2.74Å; M62-R65 PolarHBondContact O-N 3.03Å; M62-L66 HydrophobicContact CG-CD1 4.05Å; M62-L66 HydrophobicContact CG-CG 4.49Å; M62-L66 WeakPolarHBondContact O-CB 3.43Å; M62-L66 WeakPolarHBondContact O-CG 3.37Å; M62-L66 PolarHBondContact O-N 3.16Å; M62-L66 HydrophobicContact SD-CD1 4.32Å; M62-L66 HydrophobicContact SD-CG 4.2Å; M62-D132 HydrophobicContact CE-CB 3.95Å; M62-L133 HydrophobicContact CE-CB 4.01Å; M62-L133 HydrophobicContact CE-CD1 4.33Å; M62-S136 VanDerWaalsContact CB-OG 3.23Å; M62-S136 WeakPolarHBondContact CB-OG 3.45Å; M62-V213 HydrophobicContact CG-CG1 3.86Å |
| 63 | V | 97.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | L47 L50 Q51 V54 V58 P59 L60 L66 Y67 | L47-V63 HydrophobicContact CD1-CG1 4.24Å; L50-V63 HydrophobicContact CD2-CG1 3.85Å; L50-V63 HydrophobicContact CG-CG1 3.91Å; Q51-V63 HydrophobicContact CG-CG1 3.91Å; V54-V63 HydrophobicContact CG2-CG1 4.24Å; V54-V63 HydrophobicContact CG2-CG2 3.63Å; V58-V63 HydrophobicContact CB-CG2 3.73Å; V58-V63 HydrophobicContact CG1-CG2 3.74Å; P59-V63 PolarHBondContact O-N 3.19Å; L60-V63 PolarHBondContact O-N 2.95Å; V63-L66 PolarHBondContact O-N 2.66Å; V63-Y67 WeakPolarHBondContact O-CB 3.43Å; V63-Y67 PolarHBondContact O-N 3.1Å |
| 64 | T | 97.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 179.8 | -56 | 0 | 0 | 0 | 0 | 111.1 | L47 L60 E61 M62 Y67 D68 | L47-T64 HydrophobicContact CD2-CG2 4.35Å; L60-T64 WeakPolarHBondContact O-CB 3.37Å; L60-T64 PolarHBondContact O-N 3.03Å; L60-T64 PolarHBondContact O-OG1 3.43Å; E61-T64 PolarHBondContact O-N 3.49Å; M62-T64 VanDerWaalsContact C-N 3.31Å; M62-T64 PolarHBondContact O-N 2.74Å; T64-Y67 PolarHBondContact O-N 3.11Å; T64-D68 VanDerWaalsContact O-CB 3.27Å; T64-D68 WeakPolarHBondContact O-CB 3.46Å; T64-D68 PolarHBondContact O-N 3.37Å |
| 65 | R | 97.1 | Very high | 94.4 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 15% | 0.151 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 174.7 | -75 | 176.5 | 179.8 | -69 | 4.5 | 112.5 | E61 M62 D68 G69 M113 D132 | E61-R65 VanDerWaalsContact O-CG 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.3Å; E61-R65 PolarHBondContact O-N 2.92Å; M62-R65 PolarHBondContact O-N 3.03Å; R65-D68 PolarHBondContact O-N 3.41Å; R65-G69 PolarHBondContact O-N 3.38Å; R65-M113 HydrophobicContact CB-CB 4.26Å; R65-M113 PolarHBondContact NH1-O 2.97Å; R65-M113 WeakPolarHBondContact O-CG 3.5Å; R65-D132 IonicContact CZ-OD2 3.9Å; R65-D132 VanDerWaalsContact CZ-OD2 3.3Å; R65-D132 IonicContact NE-OD2 3.03Å; R65-D132 PolarHBondContact NE-OD2 2.9Å; R65-D132 IonicContact NH2-OD2 2.69Å; R65-D132 PolarHBondContact NH2-OD2 3.46Å |
| 66 | L | 97.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 178.1 | -74.1 | 165.6 | 0 | 0 | 0 | 110.8 | M62 V63 D68 G69 M70 L98 M113 V213 I214 F218 | M62-L66 HydrophobicContact CG-CD1 4.05Å; M62-L66 HydrophobicContact CG-CG 4.49Å; M62-L66 WeakPolarHBondContact O-CB 3.43Å; M62-L66 WeakPolarHBondContact O-CG 3.37Å; M62-L66 PolarHBondContact O-N 3.16Å; M62-L66 HydrophobicContact SD-CD1 4.32Å; M62-L66 HydrophobicContact SD-CG 4.2Å; V63-L66 PolarHBondContact O-N 2.66Å; L66-D68 PolarHBondContact O-N 3.45Å; L66-G69 PolarHBondContact O-N 2.93Å; L66-M70 VanDerWaalsContact O-CG 3.27Å; L66-M70 WeakPolarHBondContact O-CG 3.4Å; L66-M70 PolarHBondContact O-N 2.82Å; L66-L98 HydrophobicContact CD2-CD1 4.35Å; L66-M113 HydrophobicContact CD2-CE 3.59Å; L66-M113 HydrophobicContact CD2-SD 4.05Å; L66-V213 HydrophobicContact CD1-CG1 4.08Å; L66-I214 HydrophobicContact CD2-CG1 4.4Å; L66-F218 HydrophobicContact CB-CZ 4.28Å; L66-F218 HydrophobicContact CD1-CE1 3.69Å; L66-F218 HydrophobicContact CD1-CZ 3.64Å |
| 67 | Y | 97.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 175.9 | 179.2 | -97.1 | 0 | 0 | 0 | 112.4 | F45 S46 L47 L50 V63 T64 G69 M70 R71 E84 N85 V86 | F45-Y67 HydrophobicContact CD2-CE2 4.3Å; F45-Y67 HydrophobicContact CE2-CD2 4.01Å; F45-Y67 HydrophobicContact CE2-CE2 4.15Å; S46-Y67 VanDerWaalsContact C-CE2 3.41Å; L47-Y67 HydrophobicContact CB-CD1 3.81Å; L47-Y67 HydrophobicContact CB-CD2 4.13Å; L47-Y67 HydrophobicContact CB-CE1 3.74Å; L47-Y67 HydrophobicContact CB-CE2 4.07Å; L47-Y67 HydrophobicContact CB-CG 4Å; L47-Y67 HydrophobicContact CD1-CD1 3.99Å; L47-Y67 HydrophobicContact CD1-CD2 4.3Å; L47-Y67 HydrophobicContact CD1-CG 3.71Å; L47-Y67 HydrophobicContact CG-CD1 4.32Å; L47-Y67 HydrophobicContact CG-CG 4.41Å; L47-Y67 VanDerWaalsContact N-CZ 3.27Å; L47-Y67 PolarHBondContact N-OH 3.39Å; L50-Y67 HydrophobicContact CD2-CD2 4.34Å; V63-Y67 WeakPolarHBondContact O-CB 3.43Å; V63-Y67 PolarHBondContact O-N 3.1Å; T64-Y67 PolarHBondContact O-N 3.11Å; Y67-G69 VanDerWaalsContact C-N 3.35Å; Y67-G69 PolarHBondContact O-N 3.35Å; Y67-M70 PolarHBondContact O-N 2.95Å; Y67-R71 PolarHBondContact O-N 3.42Å; Y67-E84 PolarHBondContact OH-O 2.86Å; Y67-E84 VanDerWaalsContact OH-O 3.07Å; Y67-N85 PolarHBondContact OH-OD1 2.83Å; Y67-V86 HydrophobicContact CD2-CG2 3.74Å; Y67-V86 HydrophobicContact CE2-CB 4.47Å; Y67-V86 HydrophobicContact CE2-CG2 3.55Å |
| 68 | D | 95.4 | Very high | 90.6 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 178.5 | -88.1 | -1.3 | 0 | 0 | 0 | 112.1 | T64 R65 L66 M70 R71 R72 | T64-D68 VanDerWaalsContact O-CB 3.27Å; T64-D68 WeakPolarHBondContact O-CB 3.46Å; T64-D68 PolarHBondContact O-N 3.37Å; R65-D68 PolarHBondContact O-N 3.41Å; L66-D68 PolarHBondContact O-N 3.45Å; D68-M70 VanDerWaalsContact C-N 3.32Å; D68-M70 PolarHBondContact O-N 2.92Å; D68-R71 WeakPolarHBondContact O-CG 3.05Å; D68-R71 IonicContact OD1-CZ 3.08Å; D68-R71 IonicContact OD1-NE 2.74Å; D68-R71 PolarHBondContact OD1-NE 2.74Å; D68-R71 IonicContact OD1-NH2 2.72Å; D68-R71 PolarHBondContact OD1-NH2 2.72Å; D68-R71 IonicContact OD2-NH2 3.6Å; D68-R72 VanDerWaalsContact O-CB 3.3Å; D68-R72 WeakPolarHBondContact O-CB 3.34Å; D68-R72 WeakPolarHBondContact O-CD 3.45Å; D68-R72 WeakPolarHBondContact O-CG 3.28Å; D68-R72 PolarHBondContact O-N 3.5Å; D68-R72 IonicContact OD2-CZ 3.67Å; D68-R72 IonicContact OD2-NH2 2.79Å; D68-R72 PolarHBondContact OD2-NH2 3.02Å |
| 69 | G | 96.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | R65 L66 Y67 R72 | R65-G69 PolarHBondContact O-N 3.38Å; L66-G69 PolarHBondContact O-N 2.93Å; Y67-G69 VanDerWaalsContact C-N 3.35Å; Y67-G69 PolarHBondContact O-N 3.35Å; G69-R72 PolarHBondContact O-N 3.3Å |
| 70 | M | 96.3 | Very high | 88 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -49.1 | -179.1 | -68.1 | -173.3 | -72.6 | 0 | 0 | 112.9 | F45 L50 L66 Y67 D68 R72 V73 V86 F91 S94 M95 | F45-M70 HydrophobicContact CE2-CE 4.28Å; F45-M70 HydrophobicContact CZ-CE 3.92Å; F45-M70 HydrophobicContact CZ-SD 4.35Å; L50-M70 HydrophobicContact CD2-CE 3.92Å; L66-M70 VanDerWaalsContact O-CG 3.27Å; L66-M70 WeakPolarHBondContact O-CG 3.4Å; L66-M70 PolarHBondContact O-N 2.82Å; Y67-M70 PolarHBondContact O-N 2.95Å; D68-M70 VanDerWaalsContact C-N 3.32Å; D68-M70 PolarHBondContact O-N 2.92Å; M70-R72 PolarHBondContact O-N 3.41Å; M70-V73 WeakPolarHBondContact O-CB 3.22Å; M70-V73 WeakPolarHBondContact O-CG2 3.36Å; M70-V73 PolarHBondContact O-N 3.45Å; M70-V86 HydrophobicContact CB-CG1 3.86Å; M70-V86 HydrophobicContact CB-CG2 3.78Å; M70-V86 HydrophobicContact SD-CG1 4.48Å; M70-F91 HydrophobicContact SD-CD2 3.63Å; M70-F91 HydrophobicContact SD-CE2 4.08Å; M70-S94 WeakPolarHBondContact CA-OG 3.37Å; M70-S94 WeakPolarHBondContact CG-OG 3.45Å; M70-M95 HydrophobicContact SD-CE 4.4Å |
| 71 | R | 94.5 | Very high | 86.9 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.6 | -17.9 | -178.8 | 70.5 | 177.2 | 177.3 | 148.5 | -2.7 | 113.9 | Y67 D68 P82 S83 V86 Q90 | Y67-R71 PolarHBondContact O-N 3.42Å; D68-R71 WeakPolarHBondContact O-CG 3.05Å; D68-R71 IonicContact OD1-CZ 3.08Å; D68-R71 IonicContact OD1-NE 2.74Å; D68-R71 PolarHBondContact OD1-NE 2.74Å; D68-R71 IonicContact OD1-NH2 2.72Å; D68-R71 PolarHBondContact OD1-NH2 2.72Å; D68-R71 IonicContact OD2-NH2 3.6Å; R71-P82 HydrophobicContact CG-CB 4.35Å; R71-S83 WeakPolarHBondContact CB-OG 3.35Å; R71-S83 WeakPolarHBondContact CD-O 3.38Å; R71-S83 PolarHBondContact O-N 3.11Å; R71-S83 VanDerWaalsContact O-N 3.11Å; R71-S83 PolarHBondContact O-OG 2.75Å; R71-V86 HydrophobicContact CB-CG2 3.97Å; R71-Q90 PolarHBondContact O-NE2 2.91Å; R71-Q90 VanDerWaalsContact O-NE2 3.08Å |
| 72 | R | 93.3 | Very high | 86.2 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -1.2 | 177.4 | -71.4 | 166.7 | -166.2 | 173.5 | 4.5 | 112.9 | D68 G69 M70 D74 P82 K112 S115 | D68-R72 VanDerWaalsContact O-CB 3.3Å; D68-R72 WeakPolarHBondContact O-CB 3.34Å; D68-R72 WeakPolarHBondContact O-CD 3.45Å; D68-R72 WeakPolarHBondContact O-CG 3.28Å; D68-R72 PolarHBondContact O-N 3.5Å; D68-R72 IonicContact OD2-CZ 3.67Å; D68-R72 IonicContact OD2-NH2 2.79Å; D68-R72 PolarHBondContact OD2-NH2 3.02Å; G69-R72 PolarHBondContact O-N 3.3Å; M70-R72 PolarHBondContact O-N 3.41Å; R72-D74 PolarHBondContact O-N 3.36Å; R72-P82 HydrophobicContact CG-CB 3.86Å; R72-K112 HydrophobicContact CB-CB 4.11Å; R72-K112 HydrophobicContact CB-CD 4.17Å; R72-K112 HydrophobicContact CB-CG 4.15Å; R72-K112 VanDerWaalsContact CD-O 3.25Å; R72-K112 WeakPolarHBondContact CD-O 3.48Å; R72-K112 PolarHBondContact NH1-O 2.89Å; R72-K112 WeakPolarHBondContact O-CD 3.27Å; R72-K112 WeakPolarHBondContact O-CE 3.49Å; R72-K112 PolarHBondContact O-NZ 2.92Å; R72-S115 PolarHBondContact NH1-O 3.19Å |
| 73 | V | 91 | Very high | 85.7 | Confident | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | trans | -71.3 | 117.3 | 173.8 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | M70 L75 Q90 A93 S94 M109 K112 | M70-V73 WeakPolarHBondContact O-CB 3.22Å; M70-V73 WeakPolarHBondContact O-CG2 3.36Å; M70-V73 PolarHBondContact O-N 3.45Å; V73-L75 HydrophobicContact CG1-CD2 3.8Å; V73-L75 HydrophobicContact CG1-CG 4.23Å; V73-Q90 HydrophobicContact CB-CG 4.48Å; V73-Q90 PolarHBondContact O-NE2 3.37Å; V73-A93 HydrophobicContact CG1-CB 4.33Å; V73-S94 WeakPolarHBondContact CG2-OG 3.19Å; V73-M109 HydrophobicContact CG2-CE 3.82Å; V73-M109 HydrophobicContact CG2-SD 3.65Å; V73-K112 HydrophobicContact CG2-CD 4.34Å | ||
| 74 | D | 85.1 | Confident | 85.1 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | trans | -94.6 | 110.2 | 172 | -175.6 | 4.3 | 0 | 0 | 0 | 109.8 | R72 T76 G77 K78 A79 | R72-D74 PolarHBondContact O-N 3.36Å; D74-T76 PolarHBondContact OD1-N 3.2Å; D74-T76 PolarHBondContact OD1-OG1 3.05Å; D74-G77 VanDerWaalsContact CG-N 3.29Å; D74-G77 PolarHBondContact OD1-N 3.25Å; D74-G77 WeakPolarHBondContact OD2-CA 3.47Å; D74-G77 PolarHBondContact OD2-N 3.2Å; D74-K78 PolarHBondContact OD2-N 3.49Å; D74-A79 HydrophobicContact CB-CB 4.06Å; D74-A79 VanDerWaalsContact CG-CB 3.42Å; D74-A79 WeakPolarHBondContact OD2-CB 3.43Å; D74-A79 PolarHBondContact OD2-N 2.89Å | ||
| 75 | L | 79.3 | Confident | 84.9 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 34% | 0.335 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -86.3 | -14.8 | 178.9 | -60.5 | 171.1 | 0 | 0 | 0 | 112.9 | V73 E89 Q90 A93 | V73-L75 HydrophobicContact CG1-CD2 3.8Å; V73-L75 HydrophobicContact CG1-CG 4.23Å; L75-E89 HydrophobicContact CD1-CB 3.29Å; L75-E89 HydrophobicContact CD1-CG 4.48Å; L75-Q90 HydrophobicContact CD1-CG 4.05Å; L75-Q90 HydrophobicContact CG-CG 4.49Å; L75-A93 HydrophobicContact CD2-CB 3.77Å |
| 76 | T | 71.6 | Confident | 84.8 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 60% | 0.595 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -110.5 | -13.6 | -170.2 | 64 | 0 | 0 | 0 | 0 | 113.5 | D74 K78 | D74-T76 PolarHBondContact OD1-N 3.2Å; D74-T76 PolarHBondContact OD1-OG1 3.05Å; T76-K78 PolarHBondContact O-N 2.98Å; T76-K78 PolarHBondContact OG1-N 3.08Å |
| 77 | G | 69.4 | Low | 84.6 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 68% | 0.68 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 65.9 | 14.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D74 | D74-G77 VanDerWaalsContact CG-N 3.29Å; D74-G77 PolarHBondContact OD1-N 3.25Å; D74-G77 WeakPolarHBondContact OD2-CA 3.47Å; D74-G77 PolarHBondContact OD2-N 3.2Å |
| 78 | K | 64.8 | Low | 84.3 | Confident | 155 Ų | 155 | 61.5 Ų | 61.5 | 67% | 0.674 | 34% | 0.341 | S | S | * | . | trans | -129.6 | 1.6 | -174.3 | -66.4 | -178.1 | -175.7 | 177.3 | 0 | 112.5 | D74 T76 K80 | D74-K78 PolarHBondContact OD2-N 3.49Å; T76-K78 PolarHBondContact O-N 2.98Å; T76-K78 PolarHBondContact OG1-N 3.08Å; K78-K80 PolarHBondContact O-N 3.01Å | ||
| 79 | A | 70.5 | Confident | 84.2 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 41% | 0.413 | 36% | 0.359 | S | S | . | . | trans | -68.4 | 131.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | D74 G81 | D74-A79 HydrophobicContact CB-CB 4.06Å; D74-A79 VanDerWaalsContact CG-CB 3.42Å; D74-A79 WeakPolarHBondContact OD2-CB 3.43Å; D74-A79 PolarHBondContact OD2-N 2.89Å; A79-G81 VanDerWaalsContact C-N 3.27Å | ||
| 80 | K | 66.7 | Low | 84.1 | Confident | 223 Ų | 223 | 66.2 Ų | 66.2 | 97% | 0.97 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -85.7 | 1.4 | 177.7 | -68 | -173.4 | 177.6 | -177.3 | 0 | 113.3 | K78 | K78-K80 PolarHBondContact O-N 3.01Š|
| 81 | G | 71.5 | Confident | 84 | Confident | 44 Ų | 44 | 66 Ų | 66 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 169.8 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A79 | A79-G81 VanDerWaalsContact C-N 3.27Š|
| 82 | P | 80.7 | Confident | 84 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | trans | -62.6 | 147.6 | 178.7 | 24.8 | -32.4 | 0 | 0 | 0 | 111.9 | R71 R72 | R71-P82 HydrophobicContact CG-CB 4.35Å; R72-P82 HydrophobicContact CG-CB 3.86Å | ||
| 83 | S | 85.6 | Confident | 84.1 | Confident | 36 Ų | 36 | 62 Ų | 62 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | trans | -67.8 | 155.9 | 171.2 | 53 | 0 | 0 | 0 | 0 | 111.3 | R71 N85 Q90 | R71-S83 WeakPolarHBondContact CB-OG 3.35Å; R71-S83 WeakPolarHBondContact CD-O 3.38Å; R71-S83 PolarHBondContact O-N 3.11Å; R71-S83 VanDerWaalsContact O-N 3.11Å; R71-S83 PolarHBondContact O-OG 2.75Å; S83-N85 WeakPolarHBondContact CB-O 3.26Å; S83-N85 PolarHBondContact OG-O 3.46Å; S83-Q90 PolarHBondContact OG-NE2 2.96Å; S83-Q90 PolarHBondContact OG-OE1 3.47Å | ||
| 84 | E | 86.8 | Confident | 84.3 | Confident | 164 Ų | 164 | 61.5 Ų | 61.5 | 77% | 0.766 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -66.2 | -45.4 | 176.1 | -173.7 | -179.8 | -179.6 | 0 | 0 | 111.3 | Y67 | Y67-E84 PolarHBondContact OH-O 2.86Å; Y67-E84 VanDerWaalsContact OH-O 3.07Å |
| 85 | N | 92.1 | Very high | 84.9 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -125.3 | 162 | 178.9 | -67.5 | -46.9 | 0 | 0 | 0 | 110.4 | F45 S46 Y67 S83 Q90 | F45-N85 WeakPolarHBondContact O-CB 3.46Å; S46-N85 WeakPolarHBondContact CA-OD1 3.44Å; S46-N85 WeakPolarHBondContact CB-OD1 3.49Å; Y67-N85 PolarHBondContact OH-OD1 2.83Å; S83-N85 WeakPolarHBondContact CB-O 3.26Å; S83-N85 PolarHBondContact OG-O 3.46Å; N85-Q90 PolarHBondContact O-OE1 2.82Å |
| 86 | V | 94.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 119.6 | 178.6 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | S44 F45 Y67 M70 R71 Q90 F91 | S44-V86 CarbonylContact C-O 3.56Å; S44-V86 WeakPolarHBondContact CA-O 3.34Å; S44-V86 WeakPolarHBondContact CB-O 3.49Å; F45-V86 HydrophobicContact CD1-CB 4.22Å; F45-V86 HydrophobicContact CD1-CG1 4.46Å; F45-V86 HydrophobicContact CD2-CB 4.44Å; F45-V86 HydrophobicContact CE1-CB 3.74Å; F45-V86 HydrophobicContact CE1-CG1 3.62Å; F45-V86 HydrophobicContact CE2-CB 3.98Å; F45-V86 HydrophobicContact CE2-CG1 4.47Å; F45-V86 HydrophobicContact CE2-CG2 4.12Å; F45-V86 HydrophobicContact CZ-CB 3.61Å; F45-V86 HydrophobicContact CZ-CG1 3.63Å; F45-V86 HydrophobicContact CZ-CG2 4.04Å; F45-V86 PolarHBondContact N-O 3.26Å; F45-V86 VanDerWaalsContact N-O 3.07Å; F45-V86 PolarHBondContact O-N 3.03Å; Y67-V86 HydrophobicContact CD2-CG2 3.74Å; Y67-V86 HydrophobicContact CE2-CB 4.47Å; Y67-V86 HydrophobicContact CE2-CG2 3.55Å; M70-V86 HydrophobicContact CB-CG1 3.86Å; M70-V86 HydrophobicContact CB-CG2 3.78Å; M70-V86 HydrophobicContact SD-CG1 4.48Å; R71-V86 HydrophobicContact CB-CG2 3.97Å; V86-Q90 HydrophobicContact CG1-CB 4.17Å; V86-F91 HydrophobicContact CG1-CB 3.96Å |
| 87 | S | 93.3 | Very high | 86.8 | Confident | 25 Ų | 25 | 53 Ų | 53 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 165.1 | 174.9 | 88.8 | 0 | 0 | 0 | 0 | 112.6 | K43 E89 Q90 F91 | K43-S87 WeakPolarHBondContact O-CA 3.44Å; S87-E89 VanDerWaalsContact C-N 3.29Å; S87-E89 WeakPolarHBondContact CB-OE2 3.38Å; S87-E89 PolarHBondContact O-N 3.13Å; S87-E89 PolarHBondContact OG-N 3.37Å; S87-E89 PolarHBondContact OG-OE2 2.67Å; S87-Q90 PolarHBondContact O-N 2.84Å; S87-Q90 PolarHBondContact OG-N 3.2Å; S87-F91 WeakPolarHBondContact O-CB 3.29Å; S87-F91 PolarHBondContact O-N 2.92Å |
| 88 | Q | 92.6 | Very high | 88 | Confident | 65 Ų | 65 | 50 Ų | 50 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 176 | -169.8 | 174.6 | 7.1 | 0 | 0 | 111.8 | D25 F28 K43 F91 T92 | D25-Q88 PolarHBondContact OD1-NE2 2.98Å; F28-Q88 HydrophobicContact CD1-CB 4.03Å; F28-Q88 HydrophobicContact CD1-CG 3.83Å; F28-Q88 HydrophobicContact CD2-CB 4.43Å; F28-Q88 HydrophobicContact CD2-CG 4.48Å; F28-Q88 HydrophobicContact CE1-CB 3.57Å; F28-Q88 HydrophobicContact CE1-CG 3.9Å; F28-Q88 HydrophobicContact CE2-CB 4.01Å; F28-Q88 HydrophobicContact CG-CB 4.43Å; F28-Q88 HydrophobicContact CG-CG 4.13Å; F28-Q88 HydrophobicContact CZ-CB 3.56Å; F28-Q88 HydrophobicContact CZ-CG 4.27Å; K43-Q88 PolarHBondContact O-N 2.9Å; Q88-F91 PolarHBondContact O-N 3.36Å; Q88-T92 WeakPolarHBondContact O-CB 3.41Å; Q88-T92 PolarHBondContact O-N 3.01Å; Q88-T92 PolarHBondContact O-OG1 3.44Å; Q88-T92 VanDerWaalsContact O-OG1 3.13Å |
| 89 | E | 91.8 | Very high | 89.5 | Confident | 108 Ų | 108 | 43.5 Ų | 43.5 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.7 | -40.4 | -180 | -53.4 | 80.7 | -177.1 | 0 | 0 | 111.2 | L75 S87 A93 | L75-E89 HydrophobicContact CD1-CB 3.29Å; L75-E89 HydrophobicContact CD1-CG 4.48Å; S87-E89 VanDerWaalsContact C-N 3.29Å; S87-E89 WeakPolarHBondContact CB-OE2 3.38Å; S87-E89 PolarHBondContact O-N 3.13Å; S87-E89 PolarHBondContact OG-N 3.37Å; S87-E89 PolarHBondContact OG-OE2 2.67Å; E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 3.08Å |
| 90 | Q | 94.5 | Very high | 90.5 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.6 | -72.1 | -179.8 | -48.7 | 0 | 0 | 111.5 | R71 V73 L75 S83 N85 V86 S87 S94 | R71-Q90 PolarHBondContact O-NE2 2.91Å; R71-Q90 VanDerWaalsContact O-NE2 3.08Å; V73-Q90 HydrophobicContact CB-CG 4.48Å; V73-Q90 PolarHBondContact O-NE2 3.37Å; L75-Q90 HydrophobicContact CD1-CG 4.05Å; L75-Q90 HydrophobicContact CG-CG 4.49Å; S83-Q90 PolarHBondContact OG-NE2 2.96Å; S83-Q90 PolarHBondContact OG-OE1 3.47Å; N85-Q90 PolarHBondContact O-OE1 2.82Å; V86-Q90 HydrophobicContact CG1-CB 4.17Å; S87-Q90 PolarHBondContact O-N 2.84Å; S87-Q90 PolarHBondContact OG-N 3.2Å; Q90-S94 VanDerWaalsContact O-CB 3.29Å; Q90-S94 WeakPolarHBondContact O-CB 3.31Å; Q90-S94 PolarHBondContact O-N 2.95Å; Q90-S94 PolarHBondContact O-OG 3.48Å |
| 91 | F | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -53.9 | 177.3 | -178.2 | -106 | 0 | 0 | 0 | 111.4 | I24 L27 F28 L31 F45 M70 V86 S87 Q88 A93 S94 M95 | I24-F91 HydrophobicContact CG2-CD1 4.02Å; I24-F91 HydrophobicContact CG2-CE1 3.76Å; I24-F91 WeakPolarHBondContact O-CE1 3.48Å; L27-F91 HydrophobicContact CB-CZ 4.49Å; L27-F91 HydrophobicContact CD2-CZ 3.75Å; L27-F91 HydrophobicContact CG-CZ 3.93Å; F28-F91 HydrophobicContact CB-CD1 3.84Å; F28-F91 HydrophobicContact CB-CE1 3.92Å; F28-F91 HydrophobicContact CD2-CB 3.73Å; F28-F91 AromaticContact CD2-CD1 3.73Å; F28-F91 HydrophobicContact CD2-CD1 3.73Å; F28-F91 HydrophobicContact CD2-CD2 4.49Å; F28-F91 HydrophobicContact CD2-CE1 4.46Å; F28-F91 AromaticContact CD2-CG 3.74Å; F28-F91 HydrophobicContact CD2-CG 3.74Å; F28-F91 HydrophobicContact CE2-CB 4.06Å; F28-F91 HydrophobicContact CG-CD1 4.21Å; L31-F91 HydrophobicContact CD1-CE2 4.04Å; L31-F91 HydrophobicContact CD1-CZ 4.23Å; F45-F91 HydrophobicContact CE1-CB 4.24Å; F45-F91 AromaticContact CE1-CD2 3.59Å; F45-F91 HydrophobicContact CE1-CD2 3.59Å; F45-F91 HydrophobicContact CE1-CE2 4.17Å; F45-F91 HydrophobicContact CE1-CG 4.08Å; F45-F91 AromaticContact CZ-CD2 3.74Å; F45-F91 HydrophobicContact CZ-CD2 3.74Å; F45-F91 HydrophobicContact CZ-CE2 4.17Å; M70-F91 HydrophobicContact SD-CD2 3.63Å; M70-F91 HydrophobicContact SD-CE2 4.08Å; V86-F91 HydrophobicContact CG1-CB 3.96Å; S87-F91 WeakPolarHBondContact O-CB 3.29Å; S87-F91 PolarHBondContact O-N 2.92Å; Q88-F91 PolarHBondContact O-N 3.36Å; F91-A93 VanDerWaalsContact C-N 3.31Å; F91-A93 PolarHBondContact O-N 3.46Å; F91-S94 PolarHBondContact O-N 3.47Å; F91-M95 HydrophobicContact CD1-CG 4.49Å; F91-M95 HydrophobicContact CD2-CE 4.11Å; F91-M95 HydrophobicContact CE1-CG 4.21Å; F91-M95 HydrophobicContact CE2-CE 3.28Å; F91-M95 HydrophobicContact CE2-CG 4.25Å; F91-M95 HydrophobicContact CZ-CE 3.54Å; F91-M95 HydrophobicContact CZ-CG 4.09Å; F91-M95 WeakPolarHBondContact O-CG 3.27Å; F91-M95 PolarHBondContact O-N 3.02Å |
| 92 | T | 94.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | F12 Q88 S96 | F12-T92 HydrophobicContact CE1-CG2 4.01Å; F12-T92 HydrophobicContact CZ-CG2 4.41Å; Q88-T92 WeakPolarHBondContact O-CB 3.41Å; Q88-T92 PolarHBondContact O-N 3.01Å; Q88-T92 PolarHBondContact O-OG1 3.44Å; Q88-T92 VanDerWaalsContact O-OG1 3.13Å; T92-S96 VanDerWaalsContact O-CB 3.31Å; T92-S96 WeakPolarHBondContact O-CB 3.44Å; T92-S96 PolarHBondContact O-N 3.21Å |
| 93 | A | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F12 V73 L75 E89 F91 S96 H97 | F12-A93 HydrophobicContact CD1-CB 4.27Å; F12-A93 HydrophobicContact CD2-CB 3.84Å; F12-A93 HydrophobicContact CE1-CB 4.09Å; F12-A93 VanDerWaalsContact CE2-CA 3.45Å; F12-A93 HydrophobicContact CE2-CB 3.65Å; F12-A93 HydrophobicContact CG-CB 4.18Å; F12-A93 HydrophobicContact CZ-CB 3.81Å; V73-A93 HydrophobicContact CG1-CB 4.33Å; L75-A93 HydrophobicContact CD2-CB 3.77Å; E89-A93 WeakPolarHBondContact O-CB 3.38Å; E89-A93 PolarHBondContact O-N 3.08Å; F91-A93 VanDerWaalsContact C-N 3.31Å; F91-A93 PolarHBondContact O-N 3.46Å; A93-S96 PolarHBondContact O-N 3.08Å; A93-H97 VanDerWaalsContact O-CG 3.28Å; A93-H97 PolarHBondContact O-N 2.97Å |
| 94 | S | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.4 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | M70 V73 Q90 F91 S96 H97 L98 M109 | M70-S94 WeakPolarHBondContact CA-OG 3.37Å; M70-S94 WeakPolarHBondContact CG-OG 3.45Å; V73-S94 WeakPolarHBondContact CG2-OG 3.19Å; Q90-S94 VanDerWaalsContact O-CB 3.29Å; Q90-S94 WeakPolarHBondContact O-CB 3.31Å; Q90-S94 PolarHBondContact O-N 2.95Å; Q90-S94 PolarHBondContact O-OG 3.48Å; F91-S94 PolarHBondContact O-N 3.47Å; S94-S96 VanDerWaalsContact C-N 3.35Å; S94-S96 PolarHBondContact O-N 3.34Å; S94-H97 PolarHBondContact O-N 2.93Å; S94-L98 WeakPolarHBondContact O-CB 3.3Å; S94-L98 VanDerWaalsContact O-CG 3.28Å; S94-L98 WeakPolarHBondContact O-CG 3.15Å; S94-L98 PolarHBondContact O-N 2.72Å; S94-M109 WeakPolarHBondContact OG-CE 3.41Å |
| 95 | M | 96.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.4 | -68.4 | -59.8 | 176.7 | 0 | 0 | 111.6 | F16 I24 M70 F91 L98 L99 I214 F218 | F16-M95 HydrophobicContact CE2-CB 4.02Å; F16-M95 HydrophobicContact CZ-CB 4.04Å; I24-M95 HydrophobicContact CD1-CB 3.9Å; I24-M95 HydrophobicContact CD1-CG 4.02Å; M70-M95 HydrophobicContact SD-CE 4.4Å; F91-M95 HydrophobicContact CD1-CG 4.49Å; F91-M95 HydrophobicContact CD2-CE 4.11Å; F91-M95 HydrophobicContact CE1-CG 4.21Å; F91-M95 HydrophobicContact CE2-CE 3.28Å; F91-M95 HydrophobicContact CE2-CG 4.25Å; F91-M95 HydrophobicContact CZ-CE 3.54Å; F91-M95 HydrophobicContact CZ-CG 4.09Å; F91-M95 WeakPolarHBondContact O-CG 3.27Å; F91-M95 PolarHBondContact O-N 3.02Å; M95-L98 PolarHBondContact O-N 3.26Å; M95-L99 VanDerWaalsContact O-CB 3.27Å; M95-L99 WeakPolarHBondContact O-CB 3.32Å; M95-L99 WeakPolarHBondContact O-CG 3.26Å; M95-L99 PolarHBondContact O-N 2.94Å; M95-L99 HydrophobicContact SD-CD1 4.41Å; M95-I214 HydrophobicContact CE-CG2 4.29Å; M95-I214 HydrophobicContact SD-CG2 3.78Å; M95-F218 HydrophobicContact CE-CD2 3.79Å; M95-F218 HydrophobicContact CE-CE2 3.88Å |
| 96 | S | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -61.1 | -47.9 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | T92 A93 S94 K100 G101 | T92-S96 VanDerWaalsContact O-CB 3.31Å; T92-S96 WeakPolarHBondContact O-CB 3.44Å; T92-S96 PolarHBondContact O-N 3.21Å; A93-S96 PolarHBondContact O-N 3.08Å; S94-S96 VanDerWaalsContact C-N 3.35Å; S94-S96 PolarHBondContact O-N 3.34Å; S96-K100 CarbonylContact O-C 3.57Å; S96-K100 WeakPolarHBondContact O-CA 3.3Å; S96-K100 WeakPolarHBondContact O-CB 3Å; S96-K100 PolarHBondContact O-N 3.35Å; S96-G101 PolarHBondContact O-N 2.92Å |
| 97 | H | 95.3 | Very high | 94.6 | Very high | 33 Ų | 33 | 29 Ų | 29 | 15% | 0.153 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -64.3 | -43.3 | 177.7 | -66.4 | 163.9 | 0 | 0 | 0 | 112.6 | A93 S94 G101 E105 K106 M109 | A93-H97 VanDerWaalsContact O-CG 3.28Å; A93-H97 PolarHBondContact O-N 2.97Å; S94-H97 PolarHBondContact O-N 2.93Å; H97-G101 WeakPolarHBondContact O-CA 3.41Å; H97-G101 PolarHBondContact O-N 2.94Å; H97-G101 VanDerWaalsContact O-N 3.13Å; H97-E105 HydrophobicContact CB-CB 4.05Å; H97-E105 IonicContact CD2-OE1 3.26Å; H97-K106 WeakPolarHBondContact O-CG 3.39Å; H97-M109 HydrophobicContact CB-CG 3.65Å; H97-M109 HydrophobicContact CB-SD 4.39Å |
| 98 | L | 95.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -73.1 | -42.9 | -176.4 | -71 | 165.8 | 0 | 0 | 0 | 112.5 | L66 S94 M95 K106 M109 M113 L210 I214 | L66-L98 HydrophobicContact CD2-CD1 4.35Å; S94-L98 WeakPolarHBondContact O-CB 3.3Å; S94-L98 VanDerWaalsContact O-CG 3.28Å; S94-L98 WeakPolarHBondContact O-CG 3.15Å; S94-L98 PolarHBondContact O-N 2.72Å; M95-L98 PolarHBondContact O-N 3.26Å; L98-K106 WeakPolarHBondContact O-CE 3.28Å; L98-M109 HydrophobicContact CD1-CE 4.41Å; L98-M109 HydrophobicContact CD2-CB 3.7Å; L98-M109 HydrophobicContact CD2-CG 4.23Å; L98-M109 HydrophobicContact CG-CB 4.15Å; L98-M109 HydrophobicContact CG-CG 4.15Å; L98-M113 HydrophobicContact CD1-CE 3.58Å; L98-M113 HydrophobicContact CD2-CE 3.55Å; L98-M113 HydrophobicContact CG-CE 4.17Å; L98-L210 HydrophobicContact CD2-CD1 4.23Å; L98-I214 HydrophobicContact CB-CD1 3.66Å; L98-I214 HydrophobicContact CD1-CD1 3.81Å; L98-I214 HydrophobicContact CG-CD1 4.22Å |
| 99 | L | 95.1 | Very high | 94.8 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | I | π-helix | trans | -93.8 | -31.8 | -172.6 | -58.5 | -180 | 0 | 0 | 0 | 113.6 | F16 M95 I214 L221 | F16-L99 HydrophobicContact CE1-CB 4.41Å; F16-L99 HydrophobicContact CZ-CB 4.37Å; F16-L99 HydrophobicContact CZ-CD1 4.31Å; M95-L99 VanDerWaalsContact O-CB 3.27Å; M95-L99 WeakPolarHBondContact O-CB 3.32Å; M95-L99 WeakPolarHBondContact O-CG 3.26Å; M95-L99 PolarHBondContact O-N 2.94Å; M95-L99 HydrophobicContact SD-CD1 4.41Å; L99-I214 HydrophobicContact CD1-CG2 4.05Å; L99-I214 HydrophobicContact CD2-CB 3.99Å; L99-I214 HydrophobicContact CD2-CD1 3.96Å; L99-I214 HydrophobicContact CD2-CG2 3.86Å; L99-I214 HydrophobicContact CG-CG2 4.29Å; L99-L221 HydrophobicContact CD1-CD1 4.08Å |
| 100 | K | 93.4 | Very high | 95 | Very high | 77 Ų | 77 | 22.2 Ų | 22.2 | 34% | 0.335 | 11% | 0.112 | S | C | . | . | I | π-helix | trans | -122.9 | -0.5 | -175.8 | -55 | -67.4 | -173.4 | 170.9 | 0 | 113.2 | R15 F16 E20 S96 | R15-K100 HydrophobicContact CB-CB 4.1Å; R15-K100 PolarHBondContact NH1-O 3.15Å; F16-K100 HydrophobicContact CD1-CG 3.98Å; F16-K100 HydrophobicContact CE1-CD 4.32Å; F16-K100 HydrophobicContact CE1-CG 3.59Å; F16-K100 HydrophobicContact CZ-CG 4.23Å; E20-K100 WeakPolarHBondContact OE1-CE 3.19Å; E20-K100 IonicContact OE1-NZ 2.72Å; E20-K100 PolarHBondContact OE1-NZ 3.05Å; E20-K100 IonicContact OE2-NZ 3.48Å; E20-K100 PolarHBondContact OE2-NZ 3.44Å; S96-K100 CarbonylContact O-C 3.57Å; S96-K100 WeakPolarHBondContact O-CA 3.3Å; S96-K100 WeakPolarHBondContact O-CB 3Å; S96-K100 PolarHBondContact O-N 3.35Å |
| 101 | G | 92.8 | Very high | 95 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | trans | -77.7 | 159.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S96 H97 E105 K106 | S96-G101 PolarHBondContact O-N 2.92Å; H97-G101 WeakPolarHBondContact O-CA 3.41Å; H97-G101 PolarHBondContact O-N 2.94Å; H97-G101 VanDerWaalsContact O-N 3.13Å; G101-E105 WeakPolarHBondContact CA-OE2 3.23Å; G101-K106 VanDerWaalsContact O-CE 3.23Å; G101-K106 WeakPolarHBondContact O-CE 3.25Å; G101-K106 PolarHBondContact O-NZ 3.37Å | ||
| 102 | N | 94.1 | Very high | 95 | Very high | 71 Ų | 71 | 24.9 Ų | 24.9 | 38% | 0.38 | 12% | 0.124 | S | C | . | . | trans | -78.5 | -175.6 | 169.5 | 65.7 | 14.6 | 0 | 0 | 0 | 111 | E104 E105 K106 | N102-E104 VanDerWaalsContact C-N 3.28Å; N102-E104 PolarHBondContact O-N 2.69Å; N102-E104 WeakPolarHBondContact OD1-CB 3.23Å; N102-E104 PolarHBondContact OD1-N 2.96Å; N102-E104 VanDerWaalsContact OD1-N 3.12Å; N102-E105 PolarHBondContact N-OE2 3Å; N102-E105 PolarHBondContact O-N 2.97Å; N102-E105 WeakPolarHBondContact OD1-CG 3.33Å; N102-E105 PolarHBondContact OD1-N 3.4Å; N102-E105 PolarHBondContact OD1-OE2 2.64Å; N102-K106 WeakPolarHBondContact O-CB 3.44Å; N102-K106 WeakPolarHBondContact O-CG 3.27Å; N102-K106 PolarHBondContact O-N 2.91Å | ||
| 103 | S | 95.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 17% | 0.168 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.3 | -36.7 | 177.8 | 46.5 | 0 | 0 | 0 | 0 | 112.9 | S107 | S103-S107 VanDerWaalsContact O-CB 3.24Å; S103-S107 WeakPolarHBondContact O-CB 3.17Å; S103-S107 PolarHBondContact O-N 2.87Å; S103-S107 PolarHBondContact O-OG 2.79Å |
| 104 | E | 94.9 | Very high | 95.2 | Very high | 81 Ų | 81 | 25.2 Ų | 25.2 | 38% | 0.379 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 179.7 | -178.3 | -176.5 | -176.3 | 0 | 0 | 112 | N102 S107 L108 R193 E197 | N102-E104 VanDerWaalsContact C-N 3.28Å; N102-E104 PolarHBondContact O-N 2.69Å; N102-E104 WeakPolarHBondContact OD1-CB 3.23Å; N102-E104 PolarHBondContact OD1-N 2.96Å; N102-E104 VanDerWaalsContact OD1-N 3.12Å; E104-S107 PolarHBondContact O-OG 3.46Å; E104-L108 WeakPolarHBondContact O-CG 3.47Å; E104-L108 PolarHBondContact O-N 3.27Å; E104-R193 VanDerWaalsContact CD-NH2 3.29Å; E104-R193 IonicContact OE1-CZ 2.75Å; E104-R193 IonicContact OE1-NH1 2.77Å; E104-R193 IonicContact OE1-NH2 3.4Å; E104-R193 PolarHBondContact OE1-NH2 3.49Å; E104-E197 HydrophobicContact CB-CG 4.36Å |
| 105 | E | 94.5 | Very high | 94.9 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 14% | 0.136 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70 | -39.5 | 179.3 | -69.3 | 166.8 | 133 | 0 | 0 | 111.2 | R15 H97 G101 N102 M109 | R15-E105 IonicContact CZ-OE1 3.21Å; R15-E105 VanDerWaalsContact CZ-OE1 3.23Å; R15-E105 IonicContact CZ-OE2 2.68Å; R15-E105 IonicContact NE-OE1 3.71Å; R15-E105 IonicContact NH1-OE1 3.18Å; R15-E105 IonicContact NH1-OE2 3.68Å; R15-E105 PolarHBondContact NH1-OE2 3.4Å; R15-E105 IonicContact NH2-OE1 2.74Å; R15-E105 PolarHBondContact NH2-OE1 2.81Å; R15-E105 IonicContact NH2-OE2 3.67Å; R15-E105 PolarHBondContact NH2-OE2 3.42Å; H97-E105 HydrophobicContact CB-CB 4.05Å; H97-E105 IonicContact CD2-OE1 3.26Å; G101-E105 WeakPolarHBondContact CA-OE2 3.23Å; N102-E105 PolarHBondContact N-OE2 3Å; N102-E105 PolarHBondContact O-N 2.97Å; N102-E105 WeakPolarHBondContact OD1-CG 3.33Å; N102-E105 PolarHBondContact OD1-N 3.4Å; N102-E105 PolarHBondContact OD1-OE2 2.64Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 2.86Å |
| 106 | K | 95.7 | Very high | 94.3 | Very high | 33 Ų | 33 | 29.2 Ų | 29.2 | 14% | 0.143 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.3 | -41.1 | 176 | -74.2 | 170.8 | 174.2 | 146.1 | 0 | 111.9 | H97 L98 G101 N102 L108 M109 I110 V200 A207 | H97-K106 WeakPolarHBondContact O-CG 3.39Å; L98-K106 WeakPolarHBondContact O-CE 3.28Å; G101-K106 VanDerWaalsContact O-CE 3.23Å; G101-K106 WeakPolarHBondContact O-CE 3.25Å; G101-K106 PolarHBondContact O-NZ 3.37Å; N102-K106 WeakPolarHBondContact O-CB 3.44Å; N102-K106 WeakPolarHBondContact O-CG 3.27Å; N102-K106 PolarHBondContact O-N 2.91Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 3.36Å; K106-M109 PolarHBondContact O-N 2.83Å; K106-I110 VanDerWaalsContact O-CG1 3.32Å; K106-I110 WeakPolarHBondContact O-CG1 3.1Å; K106-I110 PolarHBondContact O-N 3.37Å; K106-V200 HydrophobicContact CB-CG1 4Å; K106-V200 HydrophobicContact CD-CG1 4.36Å; K106-A207 HydrophobicContact CD-CB 3.93Å |
| 107 | S | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -39.5 | 178.1 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | S103 E104 M109 I110 M111 | S103-S107 VanDerWaalsContact O-CB 3.24Å; S103-S107 WeakPolarHBondContact O-CB 3.17Å; S103-S107 PolarHBondContact O-N 2.87Å; S103-S107 PolarHBondContact O-OG 2.79Å; E104-S107 PolarHBondContact O-OG 3.46Å; S107-M109 VanDerWaalsContact C-N 3.34Å; S107-M109 PolarHBondContact O-N 3.3Å; S107-I110 PolarHBondContact O-N 3.41Å; S107-M111 WeakPolarHBondContact O-CB 3.3Å; S107-M111 VanDerWaalsContact O-CG 3.23Å; S107-M111 WeakPolarHBondContact O-CG 3.38Å; S107-M111 PolarHBondContact O-N 3Å |
| 108 | L | 94.1 | Very high | 93 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 172.1 | -79 | 175.3 | 0 | 0 | 0 | 112.1 | E104 K106 K112 R193 | E104-L108 WeakPolarHBondContact O-CG 3.47Å; E104-L108 PolarHBondContact O-N 3.27Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 3.36Å; L108-K112 WeakPolarHBondContact O-CG 3.24Å; L108-K112 PolarHBondContact O-N 3.3Å; L108-K112 VanDerWaalsContact O-N 3.12Å; L108-R193 VanDerWaalsContact CD1-NH2 3.29Å; L108-R193 VanDerWaalsContact CD2-NE 3.31Å |
| 109 | M | 95.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 178.8 | -68.6 | -54.2 | -55 | 0 | 0 | 111.7 | V73 S94 H97 L98 E105 K106 S107 M111 K112 M113 | V73-M109 HydrophobicContact CG2-CE 3.82Å; V73-M109 HydrophobicContact CG2-SD 3.65Å; S94-M109 WeakPolarHBondContact OG-CE 3.41Å; H97-M109 HydrophobicContact CB-CG 3.65Å; H97-M109 HydrophobicContact CB-SD 4.39Å; L98-M109 HydrophobicContact CD1-CE 4.41Å; L98-M109 HydrophobicContact CD2-CB 3.7Å; L98-M109 HydrophobicContact CD2-CG 4.23Å; L98-M109 HydrophobicContact CG-CB 4.15Å; L98-M109 HydrophobicContact CG-CG 4.15Å; E105-M109 WeakPolarHBondContact O-CG 3.39Å; E105-M109 PolarHBondContact O-N 2.86Å; K106-M109 PolarHBondContact O-N 2.83Å; S107-M109 VanDerWaalsContact C-N 3.34Å; S107-M109 PolarHBondContact O-N 3.3Å; M109-M111 PolarHBondContact O-N 3.35Å; M109-K112 PolarHBondContact O-N 3.11Å; M109-M113 HydrophobicContact CB-CE 4.25Å; M109-M113 VanDerWaalsContact O-CG 3.3Å; M109-M113 WeakPolarHBondContact O-CG 3.27Å; M109-M113 PolarHBondContact O-N 2.95Å |
| 110 | I | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 176.9 | -70.1 | 165.4 | 0 | 0 | 0 | 110.9 | K106 S107 K112 M113 I114 F129 I196 V200 V206 L210 | K106-I110 VanDerWaalsContact O-CG1 3.32Å; K106-I110 WeakPolarHBondContact O-CG1 3.1Å; K106-I110 PolarHBondContact O-N 3.37Å; S107-I110 PolarHBondContact O-N 3.41Å; I110-K112 VanDerWaalsContact C-N 3.27Å; I110-K112 PolarHBondContact O-N 3.44Å; I110-M113 WeakPolarHBondContact O-CA 3.36Å; I110-M113 WeakPolarHBondContact O-CB 3.4Å; I110-M113 PolarHBondContact O-N 2.92Å; I110-I114 HydrophobicContact CG2-CD1 3.64Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.34Å; I110-I114 PolarHBondContact O-N 3.29Å; I110-F129 HydrophobicContact CB-CZ 4.41Å; I110-F129 HydrophobicContact CD1-CE1 4.42Å; I110-F129 HydrophobicContact CG1-CE1 4.16Å; I110-F129 HydrophobicContact CG1-CZ 3.87Å; I110-F129 HydrophobicContact CG2-CD1 4.04Å; I110-F129 HydrophobicContact CG2-CE1 3.68Å; I110-F129 HydrophobicContact CG2-CE2 4.49Å; I110-F129 HydrophobicContact CG2-CZ 3.94Å; I110-I196 HydrophobicContact CB-CG2 4.45Å; I110-I196 HydrophobicContact CG2-CG2 4.18Å; I110-V200 HydrophobicContact CD1-CG2 3.53Å; I110-V206 HydrophobicContact CD1-CG1 3.87Å; I110-L210 HydrophobicContact CD1-CD1 3.98Å; I110-L210 HydrophobicContact CG1-CD1 4.01Å |
| 111 | M | 95.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 176.1 | -72.7 | -70.7 | -79 | 0 | 0 | 111.6 | S107 M109 M113 I114 S115 G119 V121 I196 | S107-M111 WeakPolarHBondContact O-CB 3.3Å; S107-M111 VanDerWaalsContact O-CG 3.23Å; S107-M111 WeakPolarHBondContact O-CG 3.38Å; S107-M111 PolarHBondContact O-N 3Å; M109-M111 PolarHBondContact O-N 3.35Å; M111-M113 VanDerWaalsContact C-N 3.33Å; M111-M113 PolarHBondContact O-N 2.97Å; M111-I114 PolarHBondContact O-N 3.44Å; M111-S115 PolarHBondContact O-N 3.45Å; M111-G119 WeakPolarHBondContact CE-O 3.48Å; M111-V121 HydrophobicContact CE-CB 4.4Å; M111-V121 HydrophobicContact CE-CG1 3.75Å; M111-V121 HydrophobicContact CE-CG2 4.1Å; M111-V121 HydrophobicContact SD-CB 4.25Å; M111-V121 HydrophobicContact SD-CG1 3.76Å; M111-V121 HydrophobicContact SD-CG2 3.5Å; M111-V121 WeakPolarHBondContact SD-CG2 3.28Å; M111-I196 HydrophobicContact CG-CG1 4.35Å; M111-I196 HydrophobicContact SD-CB 4.49Å; M111-I196 HydrophobicContact SD-CG1 3.68Å |
| 112 | K | 94.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 21% | 0.213 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -28.6 | 175.7 | -70.7 | 176.8 | -177 | -60.5 | 0 | 113.3 | R72 V73 L108 M109 I110 | R72-K112 HydrophobicContact CB-CB 4.11Å; R72-K112 HydrophobicContact CB-CD 4.17Å; R72-K112 HydrophobicContact CB-CG 4.15Å; R72-K112 VanDerWaalsContact CD-O 3.25Å; R72-K112 WeakPolarHBondContact CD-O 3.48Å; R72-K112 PolarHBondContact NH1-O 2.89Å; R72-K112 WeakPolarHBondContact O-CD 3.27Å; R72-K112 WeakPolarHBondContact O-CE 3.49Å; R72-K112 PolarHBondContact O-NZ 2.92Å; V73-K112 HydrophobicContact CG2-CD 4.34Å; L108-K112 WeakPolarHBondContact O-CG 3.24Å; L108-K112 PolarHBondContact O-N 3.3Å; L108-K112 VanDerWaalsContact O-N 3.12Å; M109-K112 PolarHBondContact O-N 3.11Å; I110-K112 VanDerWaalsContact C-N 3.27Å; I110-K112 PolarHBondContact O-N 3.44Å |
| 113 | M | 96.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -75.6 | -26.1 | 172.8 | -67 | 176.6 | -164.4 | 0 | 0 | 112.8 | R65 L66 L98 M109 I110 M111 F129 L210 | R65-M113 HydrophobicContact CB-CB 4.26Å; R65-M113 PolarHBondContact NH1-O 2.97Å; R65-M113 WeakPolarHBondContact O-CG 3.5Å; L66-M113 HydrophobicContact CD2-CE 3.59Å; L66-M113 HydrophobicContact CD2-SD 4.05Å; L98-M113 HydrophobicContact CD1-CE 3.58Å; L98-M113 HydrophobicContact CD2-CE 3.55Å; L98-M113 HydrophobicContact CG-CE 4.17Å; M109-M113 HydrophobicContact CB-CE 4.25Å; M109-M113 VanDerWaalsContact O-CG 3.3Å; M109-M113 WeakPolarHBondContact O-CG 3.27Å; M109-M113 PolarHBondContact O-N 2.95Å; I110-M113 WeakPolarHBondContact O-CA 3.36Å; I110-M113 WeakPolarHBondContact O-CB 3.4Å; I110-M113 PolarHBondContact O-N 2.92Å; M111-M113 VanDerWaalsContact C-N 3.33Å; M111-M113 PolarHBondContact O-N 2.97Å; M113-F129 HydrophobicContact CB-CD2 4.48Å; M113-F129 HydrophobicContact CB-CE2 4.23Å; M113-F129 HydrophobicContact SD-CE2 3.97Å; M113-L210 HydrophobicContact SD-CD2 4.42Å |
| 114 | I | 95.4 | Very high | 92.1 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.7 | -53.9 | -178.9 | -67.9 | 169.8 | 0 | 0 | 0 | 110.9 | I110 M111 V121 E125 V126 F129 | I110-I114 HydrophobicContact CG2-CD1 3.64Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.34Å; I110-I114 PolarHBondContact O-N 3.29Å; M111-I114 PolarHBondContact O-N 3.44Å; I114-V121 HydrophobicContact CB-CG1 4.28Å; I114-V121 HydrophobicContact CD1-CG2 4.49Å; I114-V121 HydrophobicContact CG2-CB 3.9Å; I114-V121 HydrophobicContact CG2-CG1 3.79Å; I114-V121 HydrophobicContact CG2-CG2 4.29Å; I114-E125 HydrophobicContact CG2-CB 3.52Å; I114-V126 HydrophobicContact CD1-CB 4.42Å; I114-V126 HydrophobicContact CD1-CG1 4.48Å; I114-V126 HydrophobicContact CD1-CG2 4.12Å; I114-F129 HydrophobicContact CD1-CB 4.03Å; I114-F129 HydrophobicContact CD1-CD1 4.3Å; I114-F129 HydrophobicContact CD1-CG 4.08Å; I114-F129 HydrophobicContact CG1-CB 3.75Å; I114-F129 HydrophobicContact CG1-CD2 4.13Å; I114-F129 HydrophobicContact CG1-CG 3.9Å |
| 115 | S | 90.8 | Very high | 92.1 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | trans | -126.8 | 146.4 | -171.8 | -176.1 | 0 | 0 | 0 | 0 | 113.3 | R72 M111 T117 | R72-S115 PolarHBondContact NH1-O 3.19Å; M111-S115 PolarHBondContact O-N 3.45Å; S115-T117 PolarHBondContact OG-N 2.82Å; S115-T117 PolarHBondContact OG-OG1 3.43Å | ||
| 116 | A | 83.9 | Confident | 92.2 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -83.2 | -20.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 117 | T | 83 | Confident | 92.1 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -91.8 | 140.3 | -179 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | S115 G119 | S115-T117 PolarHBondContact OG-N 2.82Å; S115-T117 PolarHBondContact OG-OG1 3.43Å; T117-G119 PolarHBondContact O-N 3.34Å |
| 118 | E | 80.3 | Confident | 92.1 | Very high | 178 Ų | 178 | 49.3 Ų | 49.3 | 83% | 0.832 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -68.7 | 126.2 | 167.6 | -61.8 | -167.7 | 160.1 | 0 | 0 | 109.6 | ||
| 119 | G | 85.9 | Confident | 92.3 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 145.7 | -174.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M111 T117 | M111-G119 WeakPolarHBondContact CE-O 3.48Å; T117-G119 PolarHBondContact O-N 3.34Å |
| 120 | P | 90.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 46.7 Ų | 46.7 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | trans | -65.9 | 151.7 | 173.1 | 29.3 | -33.7 | 0 | 0 | 0 | 111.2 | D190 C191 | P120-D190 HydrophobicContact CB-CB 3.9Å; P120-D190 HydrophobicContact CG-CB 4.21Å; P120-C191 WeakPolarHBondContact CA-O 3.15Å | ||
| 121 | V | 93.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 154.7 | 175.7 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | M111 I114 V126 C191 | M111-V121 HydrophobicContact CE-CB 4.4Å; M111-V121 HydrophobicContact CE-CG1 3.75Å; M111-V121 HydrophobicContact CE-CG2 4.1Å; M111-V121 HydrophobicContact SD-CB 4.25Å; M111-V121 HydrophobicContact SD-CG1 3.76Å; M111-V121 HydrophobicContact SD-CG2 3.5Å; M111-V121 WeakPolarHBondContact SD-CG2 3.28Å; I114-V121 HydrophobicContact CB-CG1 4.28Å; I114-V121 HydrophobicContact CD1-CG2 4.49Å; I114-V121 HydrophobicContact CG2-CB 3.9Å; I114-V121 HydrophobicContact CG2-CG1 3.79Å; I114-V121 HydrophobicContact CG2-CG2 4.29Å; V121-V126 HydrophobicContact CG2-CG2 3.61Å; V121-C191 HydrophobicContact CG2-CB 4.05Å; V121-C191 PolarHBondContact N-O 3.25Å; V121-C191 WeakPolarHBondContact O-CB 3.47Å; V121-C191 PolarHBondContact O-N 3.09Å |
| 122 | K | 92.7 | Very high | 92.3 | Very high | 73 Ų | 73 | 48 Ų | 48 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.7 | 176.6 | -63.3 | -61.1 | -171.2 | -176.6 | 0 | 110.9 | R124 E125 V126 D188 D190 | K122-R124 HydrophobicContact CB-CG 3.81Å; K122-R124 PolarHBondContact O-N 2.79Å; K122-E125 HydrophobicContact CB-CG 4.12Å; K122-E125 PolarHBondContact N-OE2 3.44Å; K122-E125 WeakPolarHBondContact O-CA 3.43Å; K122-E125 WeakPolarHBondContact O-CB 3.27Å; K122-E125 PolarHBondContact O-N 3.26Å; K122-V126 PolarHBondContact O-N 2.87Å; K122-D188 WeakPolarHBondContact CD-O 3.47Å; K122-D188 PolarHBondContact NZ-O 3.41Å; K122-D188 VanDerWaalsContact NZ-O 3.08Å; K122-D190 VanDerWaalsContact CD-OD1 3.31Å; K122-D190 WeakPolarHBondContact CD-OD1 3.13Å; K122-D190 WeakPolarHBondContact CE-OD1 3.4Å; K122-D190 VanDerWaalsContact NZ-CG 3.34Å; K122-D190 IonicContact NZ-OD1 3.64Å; K122-D190 PolarHBondContact NZ-OD1 3.21Å; K122-D190 IonicContact NZ-OD2 2.62Å; K122-D190 PolarHBondContact NZ-OD2 3.39Å |
| 123 | A | 91.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.8 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E125 V126 Q127 W186 C189 | A123-E125 VanDerWaalsContact C-N 3.28Å; A123-E125 PolarHBondContact O-N 3.08Å; A123-V126 PolarHBondContact O-N 3.21Å; A123-Q127 PolarHBondContact O-N 3.19Å; A123-W186 HydrophobicContact CB-CE3 3.6Å; A123-W186 HydrophobicContact CB-CZ3 3.66Å; A123-W186 WeakPolarHBondContact CB-O 3.45Å; A123-C189 PolarHBondContact N-O 3.26Å |
| 124 | R | 93.2 | Very high | 92.5 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.2 | -32.8 | 170.6 | 60.2 | 179.9 | 59.2 | -110.8 | 1.8 | 114.2 | K122 K128 L187 D188 | K122-R124 HydrophobicContact CB-CG 3.81Å; K122-R124 PolarHBondContact O-N 2.79Å; R124-K128 WeakPolarHBondContact O-CB 3.12Å; R124-K128 PolarHBondContact O-N 2.95Å; R124-L187 HydrophobicContact CB-CB 4.21Å; R124-L187 HydrophobicContact CB-CD2 4.41Å; R124-L187 WeakPolarHBondContact CB-O 3.3Å; R124-L187 WeakPolarHBondContact CG-O 3.26Å; R124-L187 PolarHBondContact N-O 3.39Å; R124-D188 IonicContact CZ-OD1 3.18Å; R124-D188 VanDerWaalsContact CZ-OD1 3.24Å; R124-D188 IonicContact NE-OD1 3.02Å; R124-D188 PolarHBondContact NE-OD1 2.85Å; R124-D188 IonicContact NH2-OD1 2.73Å; R124-D188 PolarHBondContact NH2-OD1 3.04Å; R124-D188 IonicContact NH2-OD2 3.23Å |
| 125 | E | 94.9 | Very high | 92.5 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -76.9 | -36.5 | 178.8 | -56.6 | 175.5 | 112 | 0 | 0 | 110.6 | I114 K122 A123 Q127 K128 F129 | I114-E125 HydrophobicContact CG2-CB 3.52Å; K122-E125 HydrophobicContact CB-CG 4.12Å; K122-E125 PolarHBondContact N-OE2 3.44Å; K122-E125 WeakPolarHBondContact O-CA 3.43Å; K122-E125 WeakPolarHBondContact O-CB 3.27Å; K122-E125 PolarHBondContact O-N 3.26Å; A123-E125 VanDerWaalsContact C-N 3.28Å; A123-E125 PolarHBondContact O-N 3.08Å; E125-Q127 VanDerWaalsContact C-N 3.34Å; E125-K128 PolarHBondContact O-N 2.89Å; E125-F129 WeakPolarHBondContact O-CB 3.44Å; E125-F129 PolarHBondContact O-N 3.2Å |
| 126 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 170.6 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | I114 V121 K122 A123 F129 T130 L170 M173 C191 I196 W199 | I114-V126 HydrophobicContact CD1-CB 4.42Å; I114-V126 HydrophobicContact CD1-CG1 4.48Å; I114-V126 HydrophobicContact CD1-CG2 4.12Å; V121-V126 HydrophobicContact CG2-CG2 3.61Å; K122-V126 PolarHBondContact O-N 2.87Å; A123-V126 PolarHBondContact O-N 3.21Å; V126-F129 PolarHBondContact O-N 3.01Å; V126-T130 WeakPolarHBondContact O-CB 3.34Å; V126-T130 PolarHBondContact O-N 2.98Å; V126-T130 PolarHBondContact O-OG1 3.27Å; V126-L170 HydrophobicContact CB-CD2 4.46Å; V126-L170 HydrophobicContact CG1-CD2 3.85Å; V126-M173 HydrophobicContact CG1-CE 4.02Å; V126-C191 HydrophobicContact CG2-CB 4.23Å; V126-I196 HydrophobicContact CG1-CD1 4.12Å; V126-I196 HydrophobicContact CG2-CD1 3.86Å; V126-W199 HydrophobicContact CG1-CE3 4.46Å; V126-W199 HydrophobicContact CG1-CH2 4.03Å; V126-W199 HydrophobicContact CG1-CZ3 3.93Å |
| 127 | Q | 94.4 | Very high | 93.4 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -51.5 | 174.3 | -179.3 | -174.6 | 9.5 | 0 | 0 | 110.8 | A123 E125 F129 T130 E131 L170 W186 | A123-Q127 PolarHBondContact O-N 3.19Å; E125-Q127 VanDerWaalsContact C-N 3.34Å; Q127-F129 VanDerWaalsContact C-N 3.32Å; Q127-F129 PolarHBondContact O-N 3.05Å; Q127-T130 WeakPolarHBondContact O-CB 3.31Å; Q127-T130 PolarHBondContact O-N 2.83Å; Q127-E131 HydrophobicContact CG-CG 4.48Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.31Å; Q127-E131 PolarHBondContact NE2-OE1 3.5Å; Q127-E131 WeakPolarHBondContact O-CG 3.31Å; Q127-E131 PolarHBondContact O-N 3.24Å; Q127-L170 HydrophobicContact CB-CD1 3.7Å; Q127-L170 HydrophobicContact CG-CD1 3.69Å; Q127-W186 HydrophobicContact CB-CH2 4.5Å |
| 128 | K | 95.3 | Very high | 93.9 | Very high | 99 Ų | 99 | 38.1 Ų | 38.1 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.9 | -42.1 | -179.9 | -176.1 | 53.2 | 178 | 149.8 | 0 | 112 | R124 E125 T130 E131 D132 | R124-K128 WeakPolarHBondContact O-CB 3.12Å; R124-K128 PolarHBondContact O-N 2.95Å; E125-K128 PolarHBondContact O-N 2.89Å; K128-T130 VanDerWaalsContact C-N 3.31Å; K128-T130 PolarHBondContact O-N 3.37Å; K128-E131 PolarHBondContact O-N 3.5Å; K128-D132 VanDerWaalsContact CE-OD1 3.31Å; K128-D132 WeakPolarHBondContact CE-OD1 3.47Å; K128-D132 IonicContact NZ-OD1 3.5Å; K128-D132 PolarHBondContact NZ-OD1 2.91Å; K128-D132 WeakPolarHBondContact O-CB 3.49Å; K128-D132 PolarHBondContact O-N 3.13Å |
| 129 | F | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | 172.5 | 165.7 | -94.5 | 0 | 0 | 0 | 112.2 | I110 M113 I114 E125 V126 Q127 D132 L133 W199 L210 | I110-F129 HydrophobicContact CB-CZ 4.41Å; I110-F129 HydrophobicContact CD1-CE1 4.42Å; I110-F129 HydrophobicContact CG1-CE1 4.16Å; I110-F129 HydrophobicContact CG1-CZ 3.87Å; I110-F129 HydrophobicContact CG2-CD1 4.04Å; I110-F129 HydrophobicContact CG2-CE1 3.68Å; I110-F129 HydrophobicContact CG2-CE2 4.49Å; I110-F129 HydrophobicContact CG2-CZ 3.94Å; M113-F129 HydrophobicContact CB-CD2 4.48Å; M113-F129 HydrophobicContact CB-CE2 4.23Å; M113-F129 HydrophobicContact SD-CE2 3.97Å; I114-F129 HydrophobicContact CD1-CB 4.03Å; I114-F129 HydrophobicContact CD1-CD1 4.3Å; I114-F129 HydrophobicContact CD1-CG 4.08Å; I114-F129 HydrophobicContact CG1-CB 3.75Å; I114-F129 HydrophobicContact CG1-CD2 4.13Å; I114-F129 HydrophobicContact CG1-CG 3.9Å; E125-F129 WeakPolarHBondContact O-CB 3.44Å; E125-F129 PolarHBondContact O-N 3.2Å; V126-F129 PolarHBondContact O-N 3.01Å; Q127-F129 VanDerWaalsContact C-N 3.32Å; Q127-F129 PolarHBondContact O-N 3.05Å; F129-D132 PolarHBondContact O-N 2.97Å; F129-L133 HydrophobicContact CE1-CD2 4.14Å; F129-L133 HydrophobicContact CZ-CD2 4.2Å; F129-L133 VanDerWaalsContact O-CB 3.31Å; F129-L133 WeakPolarHBondContact O-CB 3.18Å; F129-L133 PolarHBondContact O-N 2.94Å; F129-W199 HydrophobicContact CD1-CH2 4.48Å; F129-W199 HydrophobicContact CE1-CH2 4.45Å; F129-L210 HydrophobicContact CZ-CD2 4.31Å |
| 130 | T | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | -179.2 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | V126 Q127 K128 L133 V134 A166 L169 L170 W199 | V126-T130 WeakPolarHBondContact O-CB 3.34Å; V126-T130 PolarHBondContact O-N 2.98Å; V126-T130 PolarHBondContact O-OG1 3.27Å; Q127-T130 WeakPolarHBondContact O-CB 3.31Å; Q127-T130 PolarHBondContact O-N 2.83Å; K128-T130 VanDerWaalsContact C-N 3.31Å; K128-T130 PolarHBondContact O-N 3.37Å; T130-L133 PolarHBondContact O-N 3.43Å; T130-V134 HydrophobicContact CG2-CG2 4.44Å; T130-V134 WeakPolarHBondContact O-CB 3.32Å; T130-V134 VanDerWaalsContact O-CG2 3.24Å; T130-V134 WeakPolarHBondContact O-CG2 3.1Å; T130-V134 PolarHBondContact O-N 3.2Å; T130-A166 HydrophobicContact CG2-CB 3.84Å; T130-L169 HydrophobicContact CG2-CB 4.2Å; T130-L169 HydrophobicContact CG2-CD1 4.14Å; T130-L170 HydrophobicContact CG2-CG 4.41Å; T130-W199 HydrophobicContact CG2-CZ2 4.3Å; T130-W199 WeakPolarHBondContact OG1-CH2 3.31Å |
| 131 | E | 96.2 | Very high | 95.3 | Very high | 31 Ų | 31 | 27.9 Ų | 27.9 | 15% | 0.145 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 173.4 | -71.1 | 173 | -174.2 | 0 | 0 | 111.6 | Q127 K128 L133 V134 G135 V162 A166 | Q127-E131 HydrophobicContact CG-CG 4.48Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.31Å; Q127-E131 PolarHBondContact NE2-OE1 3.5Å; Q127-E131 WeakPolarHBondContact O-CG 3.31Å; Q127-E131 PolarHBondContact O-N 3.24Å; K128-E131 PolarHBondContact O-N 3.5Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 3.14Å; E131-V134 PolarHBondContact O-N 2.62Å; E131-G135 PolarHBondContact O-N 2.88Å; E131-V162 HydrophobicContact CB-CG1 4.43Å; E131-V162 VanDerWaalsContact O-CG1 3.31Å; E131-V162 WeakPolarHBondContact O-CG1 3.45Å; E131-A166 HydrophobicContact CB-CB 4.39Å; E131-A166 HydrophobicContact CG-CB 3.63Å |
| 132 | D | 96.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.102 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 177.5 | -64.7 | -21 | 0 | 0 | 0 | 111 | M62 R65 K128 F129 S136 | M62-D132 HydrophobicContact CE-CB 3.95Å; R65-D132 IonicContact CZ-OD2 3.9Å; R65-D132 VanDerWaalsContact CZ-OD2 3.3Å; R65-D132 IonicContact NE-OD2 3.03Å; R65-D132 PolarHBondContact NE-OD2 2.9Å; R65-D132 IonicContact NH2-OD2 2.69Å; R65-D132 PolarHBondContact NH2-OD2 3.46Å; K128-D132 VanDerWaalsContact CE-OD1 3.31Å; K128-D132 WeakPolarHBondContact CE-OD1 3.47Å; K128-D132 IonicContact NZ-OD1 3.5Å; K128-D132 PolarHBondContact NZ-OD1 2.91Å; K128-D132 WeakPolarHBondContact O-CB 3.49Å; K128-D132 PolarHBondContact O-N 3.13Å; F129-D132 PolarHBondContact O-N 2.97Å; D132-S136 VanDerWaalsContact O-CB 3.23Å; D132-S136 WeakPolarHBondContact O-CB 3.23Å; D132-S136 PolarHBondContact O-N 3.34Å; D132-S136 PolarHBondContact O-OG 3.16Å |
| 133 | L | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -51.2 | 177 | 179.2 | 60.4 | 0 | 0 | 0 | 111.8 | M62 F129 T130 E131 G135 S136 V137 V206 F209 L210 V213 | M62-L133 HydrophobicContact CE-CB 4.01Å; M62-L133 HydrophobicContact CE-CD1 4.33Å; F129-L133 HydrophobicContact CE1-CD2 4.14Å; F129-L133 HydrophobicContact CZ-CD2 4.2Å; F129-L133 VanDerWaalsContact O-CB 3.31Å; F129-L133 WeakPolarHBondContact O-CB 3.18Å; F129-L133 PolarHBondContact O-N 2.94Å; T130-L133 PolarHBondContact O-N 3.43Å; E131-L133 VanDerWaalsContact C-N 3.3Å; E131-L133 PolarHBondContact O-N 3.14Å; L133-G135 PolarHBondContact O-N 3.14Å; L133-S136 PolarHBondContact O-N 3.31Å; L133-V137 PolarHBondContact O-N 3.45Å; L133-V206 HydrophobicContact CD2-CG1 4.07Å; L133-F209 HydrophobicContact CD1-CB 4.01Å; L133-F209 HydrophobicContact CD2-CB 4.02Å; L133-F209 HydrophobicContact CG-CB 3.85Å; L133-L210 HydrophobicContact CD1-CD2 3.89Å; L133-L210 HydrophobicContact CD1-CG 4.01Å; L133-L210 HydrophobicContact CD2-CG 4.1Å; L133-V213 HydrophobicContact CD1-CG2 4.2Å |
| 134 | V | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | T130 E131 S136 V137 V138 V162 L165 A166 L169 F209 L249 | T130-V134 HydrophobicContact CG2-CG2 4.44Å; T130-V134 WeakPolarHBondContact O-CB 3.32Å; T130-V134 VanDerWaalsContact O-CG2 3.24Å; T130-V134 WeakPolarHBondContact O-CG2 3.1Å; T130-V134 PolarHBondContact O-N 3.2Å; E131-V134 PolarHBondContact O-N 2.62Å; V134-S136 VanDerWaalsContact C-N 3.32Å; V134-S136 PolarHBondContact O-N 3.02Å; V134-V137 PolarHBondContact O-N 3.11Å; V134-V138 PolarHBondContact O-N 2.81Å; V134-V162 HydrophobicContact CB-CG1 4.13Å; V134-V162 HydrophobicContact CG1-CB 4.3Å; V134-V162 HydrophobicContact CG1-CG1 4.01Å; V134-V162 HydrophobicContact CG1-CG2 4.35Å; V134-L165 HydrophobicContact CG1-CB 4.32Å; V134-L165 HydrophobicContact CG1-CD2 3.95Å; V134-L165 HydrophobicContact CG1-CG 4.38Å; V134-L165 HydrophobicContact CG2-CD2 4.42Å; V134-L165 HydrophobicContact CG2-CG 4.4Å; V134-A166 HydrophobicContact CG2-CB 4.41Å; V134-L169 HydrophobicContact CG2-CD1 4Å; V134-F209 HydrophobicContact CG2-CD2 4.09Å; V134-F209 HydrophobicContact CG2-CE2 3.97Å; V134-L249 HydrophobicContact CG1-CD1 3.61Å; V134-L249 HydrophobicContact CG1-CD2 3.9Å; V134-L249 HydrophobicContact CG1-CG 4.41Å |
| 135 | G | 95.3 | Very high | 95.5 | Very high | 23 Ų | 23 | 37 Ų | 37 | 24% | 0.237 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E131 L133 V137 V138 H139 | E131-G135 PolarHBondContact O-N 2.88Å; L133-G135 PolarHBondContact O-N 3.14Å; G135-V137 VanDerWaalsContact C-N 3.33Å; G135-V137 PolarHBondContact O-N 2.73Å; G135-V138 PolarHBondContact O-N 3.48Å; G135-H139 WeakPolarHBondContact O-CB 3.32Å; G135-H139 PolarHBondContact O-N 3.26Å |
| 136 | S | 96.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -35 | 177.3 | -62.9 | 0 | 0 | 0 | 0 | 112.8 | M62 D132 L133 V134 H139 V140 | M62-S136 VanDerWaalsContact CB-OG 3.23Å; M62-S136 WeakPolarHBondContact CB-OG 3.45Å; D132-S136 VanDerWaalsContact O-CB 3.23Å; D132-S136 WeakPolarHBondContact O-CB 3.23Å; D132-S136 PolarHBondContact O-N 3.34Å; D132-S136 PolarHBondContact O-OG 3.16Å; L133-S136 PolarHBondContact O-N 3.31Å; V134-S136 VanDerWaalsContact C-N 3.32Å; V134-S136 PolarHBondContact O-N 3.02Å; S136-H139 PolarHBondContact O-N 2.94Å; S136-V140 WeakPolarHBondContact O-CB 3.35Å; S136-V140 WeakPolarHBondContact O-CG2 3.38Å; S136-V140 PolarHBondContact O-N 2.82Å |
| 137 | V | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L133 V134 G135 H139 V140 L141 F209 V212 V213 M252 | L133-V137 PolarHBondContact O-N 3.45Å; V134-V137 PolarHBondContact O-N 3.11Å; G135-V137 VanDerWaalsContact C-N 3.33Å; G135-V137 PolarHBondContact O-N 2.73Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.37Å; V137-V140 PolarHBondContact O-N 2.71Å; V137-L141 HydrophobicContact CG1-CD1 3.72Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CB 3.3Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.41Å; V137-L141 PolarHBondContact O-N 3.38Å; V137-F209 HydrophobicContact CG2-CB 3.5Å; V137-F209 HydrophobicContact CG2-CD1 4.1Å; V137-F209 HydrophobicContact CG2-CD2 4.23Å; V137-F209 HydrophobicContact CG2-CG 3.69Å; V137-V212 HydrophobicContact CG1-CG1 4.13Å; V137-V212 HydrophobicContact CG2-CB 4.36Å; V137-V212 HydrophobicContact CG2-CG1 4.45Å; V137-V213 HydrophobicContact CG2-CG2 4Å; V137-M252 HydrophobicContact CG1-CE 3.77Å; V137-M252 HydrophobicContact CG1-SD 4.39Å |
| 138 | V | 94.2 | Very high | 95.1 | Very high | 23 Ų | 23 | 38.2 Ų | 38.2 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | V134 G135 S142 I248 L249 | V134-V138 PolarHBondContact O-N 2.81Å; G135-V138 PolarHBondContact O-N 3.48Å; V138-S142 VanDerWaalsContact O-CB 3.28Å; V138-S142 WeakPolarHBondContact O-CB 3.4Å; V138-S142 PolarHBondContact O-N 3.28Å; V138-S142 PolarHBondContact O-OG 3.06Å; V138-I248 HydrophobicContact CG1-CG2 4.04Å; V138-I248 HydrophobicContact CG2-CG2 4.02Å; V138-L249 HydrophobicContact CG2-CD1 3.86Å; V138-L249 HydrophobicContact CG2-CD2 3.41Å; V138-L249 VanDerWaalsContact CG2-CD2 3.41Å; V138-L249 HydrophobicContact CG2-CG 3.56Å |
| 139 | H | 94.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 35.8 Ų | 35.8 | 34% | 0.338 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.1 | -52.2 | 178.9 | -176.8 | 93.8 | 0 | 0 | 0 | 112.1 | E56 A57 P59 G135 S136 V137 L141 S142 H143 | E56-H139 PolarHBondContact O-NE2 2.89Å; A57-H139 PolarHBondContact O-CD2 3.41Å; P59-H139 HydrophobicContact CG-CB 3.86Å; G135-H139 WeakPolarHBondContact O-CB 3.32Å; G135-H139 PolarHBondContact O-N 3.26Å; S136-H139 PolarHBondContact O-N 2.94Å; V137-H139 VanDerWaalsContact C-N 3.29Å; V137-H139 PolarHBondContact O-N 3.37Å; H139-L141 PolarHBondContact O-N 2.9Å; H139-S142 PolarHBondContact O-N 3.42Å; H139-H143 WeakPolarHBondContact O-CB 3.4Å; H139-H143 PolarHBondContact O-N 3.44Å |
| 140 | V | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | -178.8 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | A57 V58 S136 V137 S142 H143 R144 V213 K216 | A57-V140 VanDerWaalsContact O-CG2 3.22Å; A57-V140 WeakPolarHBondContact O-CG2 3.37Å; V58-V140 HydrophobicContact CG2-CG2 4.07Å; S136-V140 WeakPolarHBondContact O-CB 3.35Å; S136-V140 WeakPolarHBondContact O-CG2 3.38Å; S136-V140 PolarHBondContact O-N 2.82Å; V137-V140 PolarHBondContact O-N 2.71Å; V140-S142 VanDerWaalsContact C-N 3.33Å; V140-S142 PolarHBondContact O-N 3.34Å; V140-H143 PolarHBondContact O-N 3.2Å; V140-R144 HydrophobicContact CG1-CG 4.44Å; V140-R144 WeakPolarHBondContact O-CB 3.49Å; V140-R144 VanDerWaalsContact O-CG 3.28Å; V140-R144 WeakPolarHBondContact O-CG 3.39Å; V140-R144 PolarHBondContact O-N 2.92Å; V140-V213 HydrophobicContact CG2-CG2 4.5Å; V140-K216 HydrophobicContact CG1-CB 3.54Å |
| 141 | L | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 179.4 | -67.7 | 174.3 | 0 | 0 | 0 | 111.6 | V137 H139 Q145 E146 L147 V212 L227 V231 M252 | V137-L141 HydrophobicContact CG1-CD1 3.72Å; V137-L141 HydrophobicContact CG1-CG 4.31Å; V137-L141 WeakPolarHBondContact O-CB 3.3Å; V137-L141 VanDerWaalsContact O-CG 3.26Å; V137-L141 WeakPolarHBondContact O-CG 3.41Å; V137-L141 PolarHBondContact O-N 3.38Å; H139-L141 PolarHBondContact O-N 2.9Å; L141-Q145 PolarHBondContact O-N 3.37Å; L141-Q145 VanDerWaalsContact O-N 3.11Å; L141-E146 HydrophobicContact CD2-CB 3.8Å; L141-E146 PolarHBondContact O-N 3.42Å; L141-L147 HydrophobicContact CB-CD2 3.83Å; L141-V212 HydrophobicContact CD2-CG1 3.95Å; L141-V212 HydrophobicContact CG-CG1 4.12Å; L141-L227 HydrophobicContact CD2-CD1 3.84Å; L141-L227 HydrophobicContact CD2-CD2 4.26Å; L141-V231 HydrophobicContact CD1-CG2 4.02Å; L141-M252 HydrophobicContact CD1-SD 4.36Å |
| 142 | S | 93.4 | Very high | 92 | Very high | 46 Ų | 46 | 38.6 Ų | 38.6 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.2 | -48.6 | 176.2 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | V138 H139 V140 R144 Q145 | V138-S142 VanDerWaalsContact O-CB 3.28Å; V138-S142 WeakPolarHBondContact O-CB 3.4Å; V138-S142 PolarHBondContact O-N 3.28Å; V138-S142 PolarHBondContact O-OG 3.06Å; H139-S142 PolarHBondContact O-N 3.42Å; V140-S142 VanDerWaalsContact C-N 3.33Å; V140-S142 PolarHBondContact O-N 3.34Å; S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.48Å; S142-Q145 PolarHBondContact O-N 2.97Å; S142-Q145 VanDerWaalsContact O-N 3.1Å |
| 143 | H | 94.3 | Very high | 90.2 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 179.6 | -176 | 91.9 | 0 | 0 | 0 | 112.1 | H139 V140 Q145 | H139-H143 WeakPolarHBondContact O-CB 3.4Å; H139-H143 PolarHBondContact O-N 3.44Å; V140-H143 PolarHBondContact O-N 3.2Å; H143-Q145 VanDerWaalsContact C-N 3.33Å |
| 144 | R | 94 | Very high | 88.1 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 28% | 0.275 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.4 | 178.5 | -62.3 | -61.9 | -174.1 | -160.1 | -2.8 | 114.1 | V140 S142 E146 K216 G217 | V140-R144 HydrophobicContact CG1-CG 4.44Å; V140-R144 WeakPolarHBondContact O-CB 3.49Å; V140-R144 VanDerWaalsContact O-CG 3.28Å; V140-R144 WeakPolarHBondContact O-CG 3.39Å; V140-R144 PolarHBondContact O-N 2.92Å; S142-R144 VanDerWaalsContact C-N 3.27Å; S142-R144 PolarHBondContact O-N 3.48Å; R144-E146 HydrophobicContact CB-CG 3.76Å; R144-E146 PolarHBondContact O-N 2.95Å; R144-K216 HydrophobicContact CG-CB 4.46Å; R144-K216 PolarHBondContact NE-O 2.9Å; R144-K216 PolarHBondContact NH2-O 3.33Å; R144-G217 PolarHBondContact NH2-O 2.87Å |
| 145 | Q | 93.3 | Very high | 86 | Confident | 180 Ų | 180 | 54 Ų | 54 | 84% | 0.841 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 31.6 | -176.4 | -55.4 | -176.1 | -37.8 | 0 | 0 | 113.7 | L141 S142 H143 | L141-Q145 PolarHBondContact O-N 3.37Å; L141-Q145 VanDerWaalsContact O-N 3.11Å; S142-Q145 PolarHBondContact O-N 2.97Å; S142-Q145 VanDerWaalsContact O-N 3.1Å; H143-Q145 VanDerWaalsContact C-N 3.33Å |
| 146 | E | 93.6 | Very high | 83.7 | Confident | 58 Ų | 58 | 55.4 Ų | 55.4 | 27% | 0.271 | 29% | 0.293 | S | S | . | . | trans | -98.6 | 18.7 | -176.4 | -65.8 | -81.5 | -152.4 | 0 | 0 | 112.3 | L141 R144 R148 K216 L227 | L141-E146 HydrophobicContact CD2-CB 3.8Å; L141-E146 PolarHBondContact O-N 3.42Å; R144-E146 HydrophobicContact CB-CG 3.76Å; R144-E146 PolarHBondContact O-N 2.95Å; E146-R148 PolarHBondContact O-N 3.22Å; E146-K216 IonicContact OE1-NZ 2.75Å; E146-K216 PolarHBondContact OE1-NZ 2.75Å; E146-L227 HydrophobicContact CB-CD1 3.98Å; E146-L227 HydrophobicContact CG-CD1 4.17Å | ||
| 147 | L | 90.8 | Very high | 81.5 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -75.8 | -6 | 176.4 | -63 | 176.9 | 0 | 0 | 0 | 113.1 | L141 G149 W150 I248 | L141-L147 HydrophobicContact CB-CD2 3.83Å; L147-G149 VanDerWaalsContact C-N 3.25Å; L147-G149 PolarHBondContact O-N 3.42Å; L147-G149 VanDerWaalsContact O-N 3.11Å; L147-W150 VanDerWaalsContact CB-O 3.3Å; L147-W150 WeakPolarHBondContact CB-O 3.34Å; L147-W150 VanDerWaalsContact O-CB 3.31Å; L147-W150 WeakPolarHBondContact O-CB 3.32Å; L147-W150 VanDerWaalsContact O-CD1 3.26Å; L147-W150 PolarHBondContact O-N 2.94Å; L147-I248 HydrophobicContact CD2-CB 4.18Å; L147-I248 HydrophobicContact CD2-CD1 4.34Å; L147-I248 HydrophobicContact CD2-CG1 3.82Å; L147-I248 HydrophobicContact CD2-CG2 4.3Å |
| 148 | R | 92.2 | Very high | 79.1 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 43 | 175.5 | -53.8 | -174.1 | 72.9 | -156.8 | 2.3 | 114.5 | E146 T228 V231 E233 R234 H264 | E146-R148 PolarHBondContact O-N 3.22Å; R148-T228 VanDerWaalsContact NH1-CA 3.35Å; R148-V231 HydrophobicContact CB-CG1 4.05Å; R148-V231 VanDerWaalsContact CD-O 3.24Å; R148-V231 WeakPolarHBondContact CD-O 3.49Å; R148-V231 HydrophobicContact CG-CG1 4.12Å; R148-V231 PolarHBondContact NH1-O 2.72Å; R148-E233 IonicContact NH2-OE2 3.52Å; R148-E233 PolarHBondContact NH2-OE2 3.23Å; R148-R234 WeakPolarHBondContact O-CB 3.35Å; R148-R234 PolarHBondContact O-N 2.96Å; R148-H264 PolarHBondContact NH1-O 3.22Å |
| 149 | G | 89.4 | Confident | 77.4 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -11.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | L147 R234 | L147-G149 VanDerWaalsContact C-N 3.25Å; L147-G149 PolarHBondContact O-N 3.42Å; L147-G149 VanDerWaalsContact O-N 3.11Å; G149-R234 VanDerWaalsContact C-CD 3.5Å; G149-R234 WeakPolarHBondContact O-CD 3.23Å; G149-R234 PolarHBondContact O-NH1 3.43Å |
| 150 | W | 90.8 | Very high | 76.8 | Confident | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.03 | 36% | 0.36 | C | S | . | . | trans | -75.9 | 154.4 | 171.5 | -61.1 | 101.2 | 0 | 0 | 0 | 111.8 | L147 P232 R234 L246 I248 V251 W266 W409 | L147-W150 VanDerWaalsContact CB-O 3.3Å; L147-W150 WeakPolarHBondContact CB-O 3.34Å; L147-W150 VanDerWaalsContact O-CB 3.31Å; L147-W150 WeakPolarHBondContact O-CB 3.32Å; L147-W150 VanDerWaalsContact O-CD1 3.26Å; L147-W150 PolarHBondContact O-N 2.94Å; W150-P232 HydrophobicContact CZ2-CG 4.26Å; W150-P232 PolarHBondContact NE1-O 2.86Å; W150-R234 HydrophobicContact CD2-CB 3.98Å; W150-R234 HydrophobicContact CD2-CG 4.14Å; W150-R234 HydrophobicContact CE3-CG 4.26Å; W150-R234 HydrophobicContact CG-CB 4.24Å; W150-R234 HydrophobicContact CH2-CG 4.29Å; W150-R234 HydrophobicContact CZ2-CB 4.14Å; W150-R234 HydrophobicContact CZ2-CG 4.15Å; W150-R234 HydrophobicContact CZ3-CG 4.34Å; W150-L246 HydrophobicContact CZ3-CB 4.36Å; W150-I248 HydrophobicContact CB-CD1 3.92Å; W150-I248 HydrophobicContact CG-CD1 4.18Å; W150-V251 HydrophobicContact CD2-CB 4.49Å; W150-V251 HydrophobicContact CD2-CG1 4.35Å; W150-V251 HydrophobicContact CD2-CG2 3.73Å; W150-V251 HydrophobicContact CE3-CG2 3.56Å; W150-V251 HydrophobicContact CH2-CG1 4.48Å; W150-V251 HydrophobicContact CH2-CG2 3.67Å; W150-V251 HydrophobicContact CZ2-CG1 3.87Å; W150-V251 HydrophobicContact CZ2-CG2 3.83Å; W150-V251 HydrophobicContact CZ3-CG2 3.53Å; W150-W266 HydrophobicContact CH2-CB 4.39Å; W150-W266 HydrophobicContact CH2-CD2 4.4Å; W150-W266 AromaticContact CH2-CE3 3.8Å; W150-W266 HydrophobicContact CH2-CE3 3.8Å; W150-W266 HydrophobicContact CH2-CZ3 4.45Å; W150-W266 HydrophobicContact CZ2-CB 3.83Å; W150-W266 HydrophobicContact CZ2-CD2 4.12Å; W150-W266 AromaticContact CZ2-CE3 3.99Å; W150-W266 HydrophobicContact CZ2-CE3 3.99Å; W150-W266 HydrophobicContact CZ2-CG 4.11Å; W150-W409 HydrophobicContact CH2-CD2 4.25Å; W150-W409 HydrophobicContact CH2-CE3 4.2Å; W150-W409 HydrophobicContact CH2-CH2 4.04Å; W150-W409 HydrophobicContact CH2-CZ2 4.06Å; W150-W409 HydrophobicContact CH2-CZ3 4.1Å; W150-W409 HydrophobicContact CZ3-CH2 4.08Å; W150-W409 AromaticContact CZ3-CZ2 3.98Å; W150-W409 HydrophobicContact CZ3-CZ2 3.98Å | ||
| 151 | T | 78.9 | Confident | 76.5 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | trans | -92.9 | 139.3 | 178.8 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | K153 | T151-K153 VanDerWaalsContact C-N 3.34Š| ||
| 152 | G | 61.7 | Low | 76.4 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | trans | -89.1 | 8 | 171 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 153 | K | 58.3 | Low | 76.3 | Confident | 137 Ų | 137 | 67.8 Ų | 67.8 | 60% | 0.596 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -68.7 | 151.8 | 179.3 | -76.8 | -172.9 | -178 | 176.1 | 0 | 111.2 | T151 A155 E243 | T151-K153 VanDerWaalsContact C-N 3.34Å; K153-A155 PolarHBondContact O-N 3.42Å; K153-E243 IonicContact NZ-OE1 3.03Å; K153-E243 PolarHBondContact NZ-OE1 3.01Å |
| 154 | E | 54.7 | Low | 76.2 | Confident | 183 Ų | 183 | 64.3 Ų | 64.3 | 86% | 0.855 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 119.3 | 172.8 | -67.7 | -177.3 | 158.2 | 0 | 0 | 110.3 | ||
| 155 | A | 52.7 | Low | 76.2 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 20% | 0.198 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 151.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K153 R161 D247 | K153-A155 PolarHBondContact O-N 3.42Å; A155-R161 VanDerWaalsContact CB-NH2 3.32Å; A155-D247 HydrophobicContact CB-CB 4.14Å; A155-D247 WeakPolarHBondContact CB-OD2 3.15Å |
| 156 | P | 46 | Very low | 76.3 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 34% | 0.344 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -61 | 138.2 | 173.8 | 23.7 | -31.3 | 0 | 0 | 0 | 111.4 | E297 | P156-E297 WeakPolarHBondContact CG-OE2 3.1Š|
| 157 | G | 52.6 | Low | 76.3 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 156.4 | 165.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 158 | P | 45 | Very low | 76.4 | Confident | 117 Ų | 117 | 52.4 Ų | 52.4 | 76% | 0.76 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -76.4 | -18.6 | -177.6 | 28.8 | -33.7 | 0 | 0 | 0 | 114.1 | ||
| 159 | A | 59.3 | Low | 76.5 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -126.7 | 139.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R161 V164 | A159-R161 PolarHBondContact O-N 2.83Å; A159-V164 HydrophobicContact CB-CG2 4.2Å |
| 160 | P | 82.2 | Confident | 76.6 | Confident | 63 Ų | 63 | 47.5 Ų | 47.5 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | trans | -54.4 | 132.7 | 174.9 | -25.1 | 32.4 | 0 | 0 | 0 | 112.1 | V162 Q163 V164 | P160-V162 PolarHBondContact O-N 3.01Å; P160-V162 VanDerWaalsContact O-N 3.07Å; P160-Q163 HydrophobicContact CB-CG 4.43Å; P160-Q163 WeakPolarHBondContact O-CB 3.41Å; P160-Q163 PolarHBondContact O-N 2.9Å; P160-V164 PolarHBondContact O-N 3.18Å | ||
| 161 | R | 88.6 | Confident | 76.5 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55 | -32.7 | -177.4 | -167 | 73 | 55.7 | -152.7 | -1.4 | 113.5 | A155 A159 Q163 V164 L165 D247 L249 S250 I329 M333 | A155-R161 VanDerWaalsContact CB-NH2 3.32Å; A159-R161 PolarHBondContact O-N 2.83Å; R161-Q163 VanDerWaalsContact C-N 3.3Å; R161-Q163 PolarHBondContact O-N 3.34Å; R161-V164 PolarHBondContact O-N 3.36Å; R161-L165 PolarHBondContact O-N 3.1Å; R161-D247 VanDerWaalsContact CB-OD2 3.28Å; R161-D247 WeakPolarHBondContact CB-OD2 3.3Å; R161-D247 WeakPolarHBondContact CD-OD2 3.49Å; R161-D247 WeakPolarHBondContact CG-OD2 3.38Å; R161-D247 IonicContact CZ-OD2 2.76Å; R161-D247 IonicContact NE-OD2 3.26Å; R161-D247 PolarHBondContact NE-OD2 3.08Å; R161-L249 HydrophobicContact CB-CD1 4.28Å; R161-L249 HydrophobicContact CG-CB 3.87Å; R161-L249 HydrophobicContact CG-CD1 4.08Å; R161-S250 PolarHBondContact NE-OG 3.28Å; R161-I329 PolarHBondContact NH1-O 3.5Å; R161-M333 HydrophobicContact CG-CE 3.92Å |
| 162 | V | 91.9 | Very high | 76.9 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.8 | -46.5 | 173.7 | 172 | 0 | 0 | 0 | 0 | 111.5 | E131 V134 P160 A166 L249 | E131-V162 HydrophobicContact CB-CG1 4.43Å; E131-V162 VanDerWaalsContact O-CG1 3.31Å; E131-V162 WeakPolarHBondContact O-CG1 3.45Å; V134-V162 HydrophobicContact CB-CG1 4.13Å; V134-V162 HydrophobicContact CG1-CB 4.3Å; V134-V162 HydrophobicContact CG1-CG1 4.01Å; V134-V162 HydrophobicContact CG1-CG2 4.35Å; P160-V162 PolarHBondContact O-N 3.01Å; P160-V162 VanDerWaalsContact O-N 3.07Å; V162-A166 VanDerWaalsContact O-CB 3.24Å; V162-A166 WeakPolarHBondContact O-CB 3.03Å; V162-A166 PolarHBondContact O-N 3.31Å; V162-L249 HydrophobicContact CG2-CD1 3.92Å |
| 163 | Q | 92.2 | Very high | 78 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 41% | 0.411 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.6 | -38.5 | -179.7 | -66.5 | 177 | -8.9 | 0 | 0 | 111.4 | P160 R161 A166 A167 | P160-Q163 HydrophobicContact CB-CG 4.43Å; P160-Q163 WeakPolarHBondContact O-CB 3.41Å; P160-Q163 PolarHBondContact O-N 2.9Å; R161-Q163 VanDerWaalsContact C-N 3.3Å; R161-Q163 PolarHBondContact O-N 3.34Å; Q163-A166 PolarHBondContact O-N 3.48Å; Q163-A167 VanDerWaalsContact O-CB 3.25Å; Q163-A167 WeakPolarHBondContact O-CB 3.08Å; Q163-A167 PolarHBondContact O-N 2.93Å |
| 164 | V | 92.3 | Very high | 79 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -47.9 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 111 | A159 P160 R161 A167 Q168 M333 | A159-V164 HydrophobicContact CB-CG2 4.2Å; P160-V164 PolarHBondContact O-N 3.18Å; R161-V164 PolarHBondContact O-N 3.36Å; V164-A167 PolarHBondContact O-N 3.47Å; V164-Q168 PolarHBondContact O-N 3.12Å; V164-M333 HydrophobicContact CG1-CB 4.34Å; V164-M333 HydrophobicContact CG1-CG 3.87Å; V164-M333 HydrophobicContact CG1-SD 4.39Å |
| 165 | L | 94.8 | Very high | 79.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 177 | 179.4 | 57.9 | 0 | 0 | 0 | 111.1 | V134 R161 A167 Q168 L169 F209 L249 Y253 M333 | V134-L165 HydrophobicContact CG1-CB 4.32Å; V134-L165 HydrophobicContact CG1-CD2 3.95Å; V134-L165 HydrophobicContact CG1-CG 4.38Å; V134-L165 HydrophobicContact CG2-CD2 4.42Å; V134-L165 HydrophobicContact CG2-CG 4.4Å; R161-L165 PolarHBondContact O-N 3.1Å; L165-A167 VanDerWaalsContact C-N 3.33Å; L165-A167 PolarHBondContact O-N 3.29Å; L165-Q168 PolarHBondContact O-N 2.81Å; L165-Q168 VanDerWaalsContact O-N 3.11Å; L165-L169 HydrophobicContact CD1-CD2 4.16Å; L165-L169 HydrophobicContact CD1-CG 4.11Å; L165-L169 HydrophobicContact CG-CD1 4.35Å; L165-L169 HydrophobicContact CG-CG 4.31Å; L165-L169 WeakPolarHBondContact O-CG 3.07Å; L165-L169 PolarHBondContact O-N 2.86Å; L165-F209 HydrophobicContact CD2-CE2 4Å; L165-F209 HydrophobicContact CD2-CZ 4.13Å; L165-L249 HydrophobicContact CD2-CB 4.13Å; L165-L249 HydrophobicContact CD2-CD1 4.46Å; L165-L249 HydrophobicContact CD2-CD2 3.86Å; L165-L249 HydrophobicContact CD2-CG 4.38Å; L165-Y253 HydrophobicContact CD1-CD2 3.75Å; L165-Y253 HydrophobicContact CD1-CE2 4.46Å; L165-Y253 HydrophobicContact CD1-CG 4.35Å; L165-M333 HydrophobicContact CB-CE 4.17Å; L165-M333 HydrophobicContact CB-SD 3.76Å; L165-M333 HydrophobicContact CD1-SD 3.67Å; L165-M333 HydrophobicContact CG-SD 4.27Å |
| 166 | A | 94.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | T130 E131 V134 V162 Q163 Q168 L169 L170 | T130-A166 HydrophobicContact CG2-CB 3.84Å; E131-A166 HydrophobicContact CB-CB 4.39Å; E131-A166 HydrophobicContact CG-CB 3.63Å; V134-A166 HydrophobicContact CG2-CB 4.41Å; V162-A166 VanDerWaalsContact O-CB 3.24Å; V162-A166 WeakPolarHBondContact O-CB 3.03Å; V162-A166 PolarHBondContact O-N 3.31Å; Q163-A166 PolarHBondContact O-N 3.48Å; A166-Q168 VanDerWaalsContact C-N 3.3Å; A166-Q168 PolarHBondContact O-N 3.44Å; A166-L169 PolarHBondContact O-N 2.81Å; A166-L170 VanDerWaalsContact O-CD1 3.3Å; A166-L170 WeakPolarHBondContact O-CD1 3.46Å; A166-L170 VanDerWaalsContact O-CG 3.24Å; A166-L170 WeakPolarHBondContact O-CG 3.28Å; A166-L170 PolarHBondContact O-N 3.32Å |
| 167 | A | 92.5 | Very high | 80.8 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q163 V164 L165 L170 S171 | Q163-A167 VanDerWaalsContact O-CB 3.25Å; Q163-A167 WeakPolarHBondContact O-CB 3.08Å; Q163-A167 PolarHBondContact O-N 2.93Å; V164-A167 PolarHBondContact O-N 3.47Å; L165-A167 VanDerWaalsContact C-N 3.33Å; L165-A167 PolarHBondContact O-N 3.29Å; A167-L170 PolarHBondContact O-N 2.97Å; A167-S171 PolarHBondContact O-N 3.46Å |
| 168 | Q | 93.6 | Very high | 81.3 | Confident | 36 Ų | 36 | 50 Ų | 50 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.5 | -44 | 177 | 177.7 | 53.5 | 17.2 | 0 | 0 | 112.4 | V164 L165 A166 L170 S171 Y253 M333 | V164-Q168 PolarHBondContact O-N 3.12Å; L165-Q168 PolarHBondContact O-N 2.81Å; L165-Q168 VanDerWaalsContact O-N 3.11Å; A166-Q168 VanDerWaalsContact C-N 3.3Å; A166-Q168 PolarHBondContact O-N 3.44Å; Q168-L170 PolarHBondContact O-N 3.45Å; Q168-S171 PolarHBondContact O-N 3.03Å; Q168-S171 PolarHBondContact O-OG 2.89Å; Q168-S171 PolarHBondContact OE1-OG 3.19Å; Q168-Y253 HydrophobicContact CG-CE2 3.82Å; Q168-M333 HydrophobicContact CB-CB 3.87Å; Q168-M333 HydrophobicContact CG-CB 3.87Å; Q168-M333 PolarHBondContact OE1-O 3.35Å |
| 169 | L | 94 | Very high | 82.1 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.8 | -34.5 | 174.9 | -63.1 | -177.5 | 0 | 0 | 0 | 111.5 | T130 V134 L165 A166 W199 V203 H205 F209 | T130-L169 HydrophobicContact CG2-CB 4.2Å; T130-L169 HydrophobicContact CG2-CD1 4.14Å; V134-L169 HydrophobicContact CG2-CD1 4Å; L165-L169 HydrophobicContact CD1-CD2 4.16Å; L165-L169 HydrophobicContact CD1-CG 4.11Å; L165-L169 HydrophobicContact CG-CD1 4.35Å; L165-L169 HydrophobicContact CG-CG 4.31Å; L165-L169 WeakPolarHBondContact O-CG 3.07Å; L165-L169 PolarHBondContact O-N 2.86Å; A166-L169 PolarHBondContact O-N 2.81Å; L169-W199 PolarHBondContact O-NE1 3.21Å; L169-V203 HydrophobicContact CB-CG1 4.16Å; L169-V203 HydrophobicContact CD2-CG1 3.56Å; L169-V203 HydrophobicContact CG-CG1 4.36Å; L169-H205 HydrophobicContact CD2-CB 3.82Å; L169-F209 HydrophobicContact CD1-CD2 4.38Å; L169-F209 HydrophobicContact CD1-CE2 4.02Å |
| 170 | L | 91.9 | Very high | 82.3 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.4 | -27.6 | 177.6 | -68.6 | 159 | 0 | 0 | 0 | 113.5 | V126 Q127 T130 A166 A167 Q168 E172 M173 W186 W199 | V126-L170 HydrophobicContact CB-CD2 4.46Å; V126-L170 HydrophobicContact CG1-CD2 3.85Å; Q127-L170 HydrophobicContact CB-CD1 3.7Å; Q127-L170 HydrophobicContact CG-CD1 3.69Å; T130-L170 HydrophobicContact CG2-CG 4.41Å; A166-L170 VanDerWaalsContact O-CD1 3.3Å; A166-L170 WeakPolarHBondContact O-CD1 3.46Å; A166-L170 VanDerWaalsContact O-CG 3.24Å; A166-L170 WeakPolarHBondContact O-CG 3.28Å; A166-L170 PolarHBondContact O-N 3.32Å; A167-L170 PolarHBondContact O-N 2.97Å; Q168-L170 PolarHBondContact O-N 3.45Å; L170-E172 PolarHBondContact O-N 3.09Å; L170-E172 VanDerWaalsContact O-N 3.15Å; L170-M173 HydrophobicContact CD2-CE 4.46Å; L170-M173 WeakPolarHBondContact O-CB 3.47Å; L170-M173 PolarHBondContact O-N 3.21Å; L170-W186 HydrophobicContact CB-CH2 4.29Å; L170-W186 HydrophobicContact CD1-CH2 4.19Å; L170-W199 HydrophobicContact CD2-CZ2 4.07Å |
| 171 | S | 88.7 | Confident | 81.4 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.3 | -20.6 | 179.5 | 77.7 | 0 | 0 | 0 | 0 | 113.8 | A167 Q168 M173 | A167-S171 PolarHBondContact O-N 3.46Å; Q168-S171 PolarHBondContact O-N 3.03Å; Q168-S171 PolarHBondContact O-OG 2.89Å; Q168-S171 PolarHBondContact OE1-OG 3.19Å; S171-M173 VanDerWaalsContact C-N 3.29Å |
| 172 | E | 86.4 | Confident | 80.1 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.1 | 175.4 | -64.5 | -55.4 | 150.6 | 0 | 0 | 113 | L170 V203 | L170-E172 PolarHBondContact O-N 3.09Å; L170-E172 VanDerWaalsContact O-N 3.15Å; E172-V203 HydrophobicContact CB-CG2 3.51Å; E172-V203 HydrophobicContact CG-CG2 4.14Å |
| 173 | M | 86.2 | Confident | 78.8 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | trans | -72 | 129 | 171.5 | -175.8 | 178.7 | -71.8 | 0 | 0 | 109.5 | V126 L170 S171 F181 M195 I196 W199 | V126-M173 HydrophobicContact CG1-CE 4.02Å; L170-M173 HydrophobicContact CD2-CE 4.46Å; L170-M173 WeakPolarHBondContact O-CB 3.47Å; L170-M173 PolarHBondContact O-N 3.21Å; S171-M173 VanDerWaalsContact C-N 3.29Å; M173-F181 HydrophobicContact CB-CE2 4.01Å; M173-F181 HydrophobicContact CG-CE2 4.02Å; M173-F181 HydrophobicContact CG-CZ 4.36Å; M173-F181 WeakPolarHBondContact O-CE2 3.34Å; M173-F181 HydrophobicContact SD-CE2 4.33Å; M173-F181 HydrophobicContact SD-CZ 4.37Å; M173-M195 HydrophobicContact CG-CE 3.53Å; M173-M195 HydrophobicContact CG-CG 3.96Å; M173-M195 HydrophobicContact SD-CE 3.54Å; M173-M195 VanDerWaalsContact SD-CE 3.54Å; M173-M195 HydrophobicContact SD-CG 4.14Å; M173-M195 HydrophobicContact SD-SD 4.47Å; M173-I196 HydrophobicContact CE-CD1 3.68Å; M173-W199 HydrophobicContact CB-CB 4.32Å; M173-W199 HydrophobicContact CB-CG 4.21Å; M173-W199 HydrophobicContact CE-CB 3.57Å; M173-W199 HydrophobicContact CE-CD2 3.4Å; M173-W199 HydrophobicContact CE-CE3 3.7Å; M173-W199 HydrophobicContact CE-CG 3.34Å; M173-W199 HydrophobicContact CG-CB 4.24Å; M173-W199 HydrophobicContact CG-CG 4.48Å | ||
| 174 | K | 79.3 | Confident | 77.8 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | trans | -105.7 | 141.6 | -179.6 | -65.7 | -177.8 | -179.5 | -179.9 | 0 | 110.4 | ||||
| 175 | L | 69 | Low | 76.9 | Confident | 57 Ų | 57 | 70.7 Ų | 70.7 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | trans | -66.1 | 159.7 | 164.7 | -71.9 | 165.6 | 0 | 0 | 0 | 109.9 | D177 G178 K179 F181 M195 | L175-D177 PolarHBondContact O-N 2.74Å; L175-G178 WeakPolarHBondContact O-CA 3.47Å; L175-G178 PolarHBondContact O-N 3.13Å; L175-K179 PolarHBondContact N-O 3.41Å; L175-F181 HydrophobicContact CD1-CD1 3.88Å; L175-F181 HydrophobicContact CD1-CE1 4.1Å; L175-F181 HydrophobicContact CD2-CD1 4.09Å; L175-F181 HydrophobicContact CD2-CE1 3.44Å; L175-F181 VanDerWaalsContact CD2-CE1 3.44Å; L175-F181 HydrophobicContact CD2-CZ 4.16Å; L175-F181 HydrophobicContact CG-CD1 3.83Å; L175-F181 HydrophobicContact CG-CE1 3.57Å; L175-F181 HydrophobicContact CG-CZ 4.24Å; L175-M195 HydrophobicContact CD2-CE 4.26Å | ||
| 176 | Q | 61.3 | Low | 76.3 | Confident | 159 Ų | 159 | 72.9 Ų | 72.9 | 74% | 0.743 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.4 | 178.6 | -68.5 | -169.8 | -3.6 | 0 | 0 | 113.3 | G178 D192 | Q176-G178 PolarHBondContact O-N 3.25Å; Q176-D192 PolarHBondContact NE2-OD2 2.9Å |
| 177 | D | 61.4 | Low | 75.8 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 71% | 0.711 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 6.3 | 175.7 | -67.6 | -12.4 | 0 | 0 | 0 | 114.2 | L175 K179 | L175-D177 PolarHBondContact O-N 2.74Å; D177-K179 HydrophobicContact CB-CG 4.45Å; D177-K179 PolarHBondContact O-N 3.13Å; D177-K179 VanDerWaalsContact O-N 3.12Å |
| 178 | G | 61.5 | Low | 75.5 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 49% | 0.485 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 71.2 | -0.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L175 Q176 | L175-G178 WeakPolarHBondContact O-CA 3.47Å; L175-G178 PolarHBondContact O-N 3.13Å; Q176-G178 PolarHBondContact O-N 3.25Å |
| 179 | K | 61.8 | Low | 75.2 | Confident | 141 Ų | 141 | 76.6 Ų | 76.6 | 61% | 0.613 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 140.8 | 177.7 | -67.2 | -179.8 | -177.2 | 169.8 | 0 | 110.9 | L175 D177 | L175-K179 PolarHBondContact N-O 3.41Å; D177-K179 HydrophobicContact CB-CG 4.45Å; D177-K179 PolarHBondContact O-N 3.13Å; D177-K179 VanDerWaalsContact O-N 3.12Å |
| 180 | R | 63.9 | Low | 75.1 | Confident | 159 Ų | 159 | 80.8 Ų | 80.8 | 60% | 0.6 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 151.5 | 168.7 | -74.4 | -178.1 | 170.6 | 170.6 | -4.6 | 110.1 | ||
| 181 | F | 64.2 | Low | 75 | Confident | 33 Ų | 33 | 80.7 Ų | 80.7 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 134.6 | 178 | -62.5 | -70.1 | 0 | 0 | 0 | 111.9 | M173 L175 W186 M195 | M173-F181 HydrophobicContact CB-CE2 4.01Å; M173-F181 HydrophobicContact CG-CE2 4.02Å; M173-F181 HydrophobicContact CG-CZ 4.36Å; M173-F181 WeakPolarHBondContact O-CE2 3.34Å; M173-F181 HydrophobicContact SD-CE2 4.33Å; M173-F181 HydrophobicContact SD-CZ 4.37Å; L175-F181 HydrophobicContact CD1-CD1 3.88Å; L175-F181 HydrophobicContact CD1-CE1 4.1Å; L175-F181 HydrophobicContact CD2-CD1 4.09Å; L175-F181 HydrophobicContact CD2-CE1 3.44Å; L175-F181 VanDerWaalsContact CD2-CE1 3.44Å; L175-F181 HydrophobicContact CD2-CZ 4.16Å; L175-F181 HydrophobicContact CG-CD1 3.83Å; L175-F181 HydrophobicContact CG-CE1 3.57Å; L175-F181 HydrophobicContact CG-CZ 4.24Å; F181-W186 HydrophobicContact CB-CB 3.74Å; F181-W186 HydrophobicContact CB-CD2 4.22Å; F181-W186 HydrophobicContact CB-CG 3.75Å; F181-W186 HydrophobicContact CD1-CB 3.31Å; F181-W186 HydrophobicContact CD1-CD2 4.29Å; F181-W186 HydrophobicContact CD1-CE3 4.18Å; F181-W186 AromaticContact CD1-CG 3.97Å; F181-W186 HydrophobicContact CD1-CG 3.97Å; F181-W186 HydrophobicContact CD2-CD2 4.47Å; F181-W186 HydrophobicContact CD2-CE3 4.19Å; F181-W186 HydrophobicContact CE1-CB 3.95Å; F181-W186 HydrophobicContact CE1-CE3 4.07Å; F181-W186 HydrophobicContact CE2-CE3 4.15Å; F181-W186 HydrophobicContact CE2-CZ3 4.47Å; F181-W186 HydrophobicContact CG-CB 3.77Å; F181-W186 HydrophobicContact CG-CD2 4.11Å; F181-W186 HydrophobicContact CG-CE3 4.14Å; F181-W186 AromaticContact CG-CG 3.95Å; F181-W186 HydrophobicContact CG-CG 3.95Å; F181-W186 HydrophobicContact CZ-CE3 4.02Å; F181-M195 HydrophobicContact CE1-CE 4.1Å; F181-M195 HydrophobicContact CE2-CE 4.12Å; F181-M195 HydrophobicContact CZ-CE 3.3Å |
| 182 | L | 59.5 | Low | 75.2 | Confident | 159 Ų | 159 | 80.9 Ų | 80.9 | 83% | 0.832 | 42% | 0.422 | S | S | * | . | trans | -122.2 | 114.2 | 177.4 | -68.1 | 173.8 | 0 | 0 | 0 | 109.7 | ||||
| 183 | G | 66.6 | Low | 75.4 | Confident | 46 Ų | 46 | 82.4 Ų | 82.4 | 47% | 0.474 | 43% | 0.425 | S | S | . | . | S | Bend | trans | 71.8 | 165.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q185 W186 | G183-Q185 PolarHBondContact O-N 3.18Å; G183-W186 PolarHBondContact O-N 2.75Å |
| 184 | P | 70.7 | Confident | 75.7 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 70% | 0.695 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -62.5 | -11.1 | -165.3 | 23 | -33.5 | 0 | 0 | 0 | 116.2 | W186 L187 | P184-W186 PolarHBondContact O-N 3.2Å; P184-L187 PolarHBondContact O-N 2.8Å |
| 185 | Q | 74.1 | Confident | 76.4 | Confident | 165 Ų | 165 | 82.4 Ų | 82.4 | 77% | 0.771 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -63.7 | -21.4 | 178 | -63.8 | 177.7 | 16.1 | 0 | 0 | 113 | G183 L187 D188 | G183-Q185 PolarHBondContact O-N 3.18Å; Q185-L187 PolarHBondContact O-N 3.06Å; Q185-D188 PolarHBondContact O-N 3.47Å |
| 186 | W | 80.5 | Confident | 77.6 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -63.1 | -23.4 | 179.5 | 76.2 | -100.9 | 0 | 0 | 0 | 113.9 | A123 Q127 L170 F181 G183 P184 D188 C189 | A123-W186 HydrophobicContact CB-CE3 3.6Å; A123-W186 HydrophobicContact CB-CZ3 3.66Å; A123-W186 WeakPolarHBondContact CB-O 3.45Å; Q127-W186 HydrophobicContact CB-CH2 4.5Å; L170-W186 HydrophobicContact CB-CH2 4.29Å; L170-W186 HydrophobicContact CD1-CH2 4.19Å; F181-W186 HydrophobicContact CB-CB 3.74Å; F181-W186 HydrophobicContact CB-CD2 4.22Å; F181-W186 HydrophobicContact CB-CG 3.75Å; F181-W186 HydrophobicContact CD1-CB 3.31Å; F181-W186 HydrophobicContact CD1-CD2 4.29Å; F181-W186 HydrophobicContact CD1-CE3 4.18Å; F181-W186 AromaticContact CD1-CG 3.97Å; F181-W186 HydrophobicContact CD1-CG 3.97Å; F181-W186 HydrophobicContact CD2-CD2 4.47Å; F181-W186 HydrophobicContact CD2-CE3 4.19Å; F181-W186 HydrophobicContact CE1-CB 3.95Å; F181-W186 HydrophobicContact CE1-CE3 4.07Å; F181-W186 HydrophobicContact CE2-CE3 4.15Å; F181-W186 HydrophobicContact CE2-CZ3 4.47Å; F181-W186 HydrophobicContact CG-CB 3.77Å; F181-W186 HydrophobicContact CG-CD2 4.11Å; F181-W186 HydrophobicContact CG-CE3 4.14Å; F181-W186 AromaticContact CG-CG 3.95Å; F181-W186 HydrophobicContact CG-CG 3.95Å; F181-W186 HydrophobicContact CZ-CE3 4.02Å; G183-W186 PolarHBondContact O-N 2.75Å; P184-W186 PolarHBondContact O-N 3.2Å; W186-D188 PolarHBondContact O-N 2.91Å; W186-D188 VanDerWaalsContact O-N 3.13Å; W186-C189 VanDerWaalsContact O-CB 3.25Å; W186-C189 WeakPolarHBondContact O-CB 3.43Å; W186-C189 PolarHBondContact O-N 3.4Å; W186-C189 PolarHBondContact O-SG 3.31Å |
| 187 | L | 83.9 | Confident | 79.2 | Confident | 32 Ų | 32 | 74.9 Ų | 74.9 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -63.8 | -18.1 | -178.5 | -69.2 | 177 | 0 | 0 | 0 | 113.6 | R124 P184 Q185 | R124-L187 HydrophobicContact CB-CB 4.21Å; R124-L187 HydrophobicContact CB-CD2 4.41Å; R124-L187 WeakPolarHBondContact CB-O 3.3Å; R124-L187 WeakPolarHBondContact CG-O 3.26Å; R124-L187 PolarHBondContact N-O 3.39Å; P184-L187 PolarHBondContact O-N 2.8Å; Q185-L187 PolarHBondContact O-N 3.06Å |
| 188 | D | 87.2 | Confident | 80.8 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -98.9 | -1.9 | 178.3 | -63.7 | -42.2 | 0 | 0 | 0 | 113.6 | K122 R124 Q185 W186 | K122-D188 WeakPolarHBondContact CD-O 3.47Å; K122-D188 PolarHBondContact NZ-O 3.41Å; K122-D188 VanDerWaalsContact NZ-O 3.08Å; R124-D188 IonicContact CZ-OD1 3.18Å; R124-D188 VanDerWaalsContact CZ-OD1 3.24Å; R124-D188 IonicContact NE-OD1 3.02Å; R124-D188 PolarHBondContact NE-OD1 2.85Å; R124-D188 IonicContact NH2-OD1 2.73Å; R124-D188 PolarHBondContact NH2-OD1 3.04Å; R124-D188 IonicContact NH2-OD2 3.23Å; Q185-D188 PolarHBondContact O-N 3.47Å; W186-D188 PolarHBondContact O-N 2.91Å; W186-D188 VanDerWaalsContact O-N 3.13Å |
| 189 | C | 88 | Confident | 82.3 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 28% | 0.284 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -64.7 | 144 | 174.5 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | A123 W186 | A123-C189 PolarHBondContact N-O 3.26Å; W186-C189 VanDerWaalsContact O-CB 3.25Å; W186-C189 WeakPolarHBondContact O-CB 3.43Å; W186-C189 PolarHBondContact O-N 3.4Å; W186-C189 PolarHBondContact O-SG 3.31Å |
| 190 | D | 90.4 | Very high | 83.9 | Confident | 93 Ų | 93 | 62.2 Ų | 62.2 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.3 | 172.2 | -73.4 | -37.7 | 0 | 0 | 0 | 109.9 | P120 K122 | P120-D190 HydrophobicContact CB-CB 3.9Å; P120-D190 HydrophobicContact CG-CB 4.21Å; K122-D190 VanDerWaalsContact CD-OD1 3.31Å; K122-D190 WeakPolarHBondContact CD-OD1 3.13Å; K122-D190 WeakPolarHBondContact CE-OD1 3.4Å; K122-D190 VanDerWaalsContact NZ-CG 3.34Å; K122-D190 IonicContact NZ-OD1 3.64Å; K122-D190 PolarHBondContact NZ-OD1 3.21Å; K122-D190 IonicContact NZ-OD2 2.62Å; K122-D190 PolarHBondContact NZ-OD2 3.39Å |
| 191 | C | 91.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.8 | 172.8 | -62.2 | 0 | 0 | 0 | 0 | 108.6 | P120 V121 V126 M195 I196 | P120-C191 WeakPolarHBondContact CA-O 3.15Å; V121-C191 HydrophobicContact CG2-CB 4.05Å; V121-C191 PolarHBondContact N-O 3.25Å; V121-C191 WeakPolarHBondContact O-CB 3.47Å; V121-C191 PolarHBondContact O-N 3.09Å; V126-C191 HydrophobicContact CG2-CB 4.23Å; C191-M195 HydrophobicContact CB-SD 4.11Å; C191-I196 HydrophobicContact CB-CD1 3.85Å; C191-I196 HydrophobicContact CB-CG1 4.38Å |
| 192 | D | 91.9 | Very high | 86.7 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | trans | -78.7 | 175.5 | 173.3 | 69.5 | 27.6 | 0 | 0 | 0 | 111.9 | Q176 A194 M195 I196 | Q176-D192 PolarHBondContact NE2-OD2 2.9Å; D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 3.3Å; D192-A194 PolarHBondContact OD1-N 3.12Å; D192-M195 PolarHBondContact O-N 2.93Å; D192-M195 WeakPolarHBondContact OD1-CB 3.49Å; D192-M195 PolarHBondContact OD1-N 3.02Å; D192-I196 WeakPolarHBondContact O-CG1 3.29Å; D192-I196 PolarHBondContact O-N 3.31Å | ||
| 193 | R | 91.1 | Very high | 88.3 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 179.7 | -179.3 | -178.2 | 175.7 | -164.1 | -2.7 | 112.9 | E104 L108 M195 I196 E197 | E104-R193 VanDerWaalsContact CD-NH2 3.29Å; E104-R193 IonicContact OE1-CZ 2.75Å; E104-R193 IonicContact OE1-NH1 2.77Å; E104-R193 IonicContact OE1-NH2 3.4Å; E104-R193 PolarHBondContact OE1-NH2 3.49Å; L108-R193 VanDerWaalsContact CD1-NH2 3.29Å; L108-R193 VanDerWaalsContact CD2-NE 3.31Å; R193-M195 VanDerWaalsContact C-N 3.3Å; R193-M195 PolarHBondContact O-N 2.73Å; R193-I196 PolarHBondContact O-N 2.62Å; R193-E197 WeakPolarHBondContact O-CB 3.21Å; R193-E197 PolarHBondContact O-N 3.14Å |
| 194 | A | 92.8 | Very high | 89.5 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 51% | 0.512 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -37 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | D192 E197 D198 | D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 3.3Å; D192-A194 PolarHBondContact OD1-N 3.12Å; A194-E197 PolarHBondContact O-N 2.68Å; A194-D198 WeakPolarHBondContact O-CB 3.48Å; A194-D198 PolarHBondContact O-N 3.37Å |
| 195 | M | 92.9 | Very high | 90.6 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 175.4 | -173.3 | 172.1 | 179.1 | 0 | 0 | 112.5 | M173 L175 F181 C191 D192 R193 W199 | M173-M195 HydrophobicContact CG-CE 3.53Å; M173-M195 HydrophobicContact CG-CG 3.96Å; M173-M195 HydrophobicContact SD-CE 3.54Å; M173-M195 VanDerWaalsContact SD-CE 3.54Å; M173-M195 HydrophobicContact SD-CG 4.14Å; M173-M195 HydrophobicContact SD-SD 4.47Å; L175-M195 HydrophobicContact CD2-CE 4.26Å; F181-M195 HydrophobicContact CE1-CE 4.1Å; F181-M195 HydrophobicContact CE2-CE 4.12Å; F181-M195 HydrophobicContact CZ-CE 3.3Å; C191-M195 HydrophobicContact CB-SD 4.11Å; D192-M195 PolarHBondContact O-N 2.93Å; D192-M195 WeakPolarHBondContact OD1-CB 3.49Å; D192-M195 PolarHBondContact OD1-N 3.02Å; R193-M195 VanDerWaalsContact C-N 3.3Å; R193-M195 PolarHBondContact O-N 2.73Å; M195-W199 VanDerWaalsContact O-CB 3.3Å; M195-W199 WeakPolarHBondContact O-CB 3.24Å; M195-W199 PolarHBondContact O-N 3.07Å |
| 196 | I | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | 175.1 | -59 | -52.8 | 0 | 0 | 0 | 111 | I110 M111 V126 M173 C191 D192 R193 W199 V200 | I110-I196 HydrophobicContact CB-CG2 4.45Å; I110-I196 HydrophobicContact CG2-CG2 4.18Å; M111-I196 HydrophobicContact CG-CG1 4.35Å; M111-I196 HydrophobicContact SD-CB 4.49Å; M111-I196 HydrophobicContact SD-CG1 3.68Å; V126-I196 HydrophobicContact CG1-CD1 4.12Å; V126-I196 HydrophobicContact CG2-CD1 3.86Å; M173-I196 HydrophobicContact CE-CD1 3.68Å; C191-I196 HydrophobicContact CB-CD1 3.85Å; C191-I196 HydrophobicContact CB-CG1 4.38Å; D192-I196 WeakPolarHBondContact O-CG1 3.29Å; D192-I196 PolarHBondContact O-N 3.31Å; R193-I196 PolarHBondContact O-N 2.62Å; I196-W199 HydrophobicContact CD1-CE3 4.41Å; I196-W199 HydrophobicContact CG2-CE3 4.13Å; I196-W199 HydrophobicContact CG2-CZ3 4.5Å; I196-W199 PolarHBondContact O-N 3.22Å; I196-V200 HydrophobicContact CG2-CG2 4.29Å; I196-V200 WeakPolarHBondContact O-CB 3.47Å; I196-V200 WeakPolarHBondContact O-CG2 3.4Å; I196-V200 PolarHBondContact O-N 2.99Å |
| 197 | E | 95.1 | Very high | 92.3 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 27% | 0.271 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -50.6 | 174.7 | -179 | 179.3 | 160.6 | 0 | 0 | 112.4 | E104 R193 A194 W199 V200 F201 | E104-E197 HydrophobicContact CB-CG 4.36Å; R193-E197 WeakPolarHBondContact O-CB 3.21Å; R193-E197 PolarHBondContact O-N 3.14Å; A194-E197 PolarHBondContact O-N 2.68Å; E197-W199 VanDerWaalsContact C-N 3.27Å; E197-W199 PolarHBondContact O-N 2.96Å; E197-V200 PolarHBondContact O-N 3.39Å; E197-F201 WeakPolarHBondContact O-CB 3.48Å; E197-F201 PolarHBondContact O-N 2.83Å |
| 198 | D | 94.2 | Very high | 92.9 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 176.7 | 179.9 | 75.7 | 0 | 0 | 0 | 110.9 | A194 F201 R202 | A194-D198 WeakPolarHBondContact O-CB 3.48Å; A194-D198 PolarHBondContact O-N 3.37Å; D198-F201 PolarHBondContact O-N 2.94Å; D198-R202 WeakPolarHBondContact O-CB 3.37Å; D198-R202 VanDerWaalsContact O-CG 3.3Å; D198-R202 WeakPolarHBondContact O-CG 3.24Å; D198-R202 PolarHBondContact O-N 3.39Å; D198-R202 IonicContact OD1-CZ 4Å; D198-R202 VanDerWaalsContact OD1-CZ 3.26Å; D198-R202 IonicContact OD1-NE 3.57Å; D198-R202 PolarHBondContact OD1-NE 3.5Å; D198-R202 IonicContact OD1-NH2 2.94Å; D198-R202 PolarHBondContact OD1-NH2 3.22Å; D198-R202 WeakPolarHBondContact OD2-CD 3.44Å; D198-R202 IonicContact OD2-CZ 3.28Å; D198-R202 IonicContact OD2-NE 3.35Å; D198-R202 PolarHBondContact OD2-NE 2.9Å; D198-R202 IonicContact OD2-NH2 3.8Å |
| 199 | W | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -50.8 | 174.9 | 172 | 58.8 | 0 | 0 | 0 | 112.7 | V126 F129 T130 L169 L170 M173 M195 I196 E197 F201 R202 V203 V206 | V126-W199 HydrophobicContact CG1-CE3 4.46Å; V126-W199 HydrophobicContact CG1-CH2 4.03Å; V126-W199 HydrophobicContact CG1-CZ3 3.93Å; F129-W199 HydrophobicContact CD1-CH2 4.48Å; F129-W199 HydrophobicContact CE1-CH2 4.45Å; T130-W199 HydrophobicContact CG2-CZ2 4.3Å; T130-W199 WeakPolarHBondContact OG1-CH2 3.31Å; L169-W199 PolarHBondContact O-NE1 3.21Å; L170-W199 HydrophobicContact CD2-CZ2 4.07Å; M173-W199 HydrophobicContact CB-CB 4.32Å; M173-W199 HydrophobicContact CB-CG 4.21Å; M173-W199 HydrophobicContact CE-CB 3.57Å; M173-W199 HydrophobicContact CE-CD2 3.4Å; M173-W199 HydrophobicContact CE-CE3 3.7Å; M173-W199 HydrophobicContact CE-CG 3.34Å; M173-W199 HydrophobicContact CG-CB 4.24Å; M173-W199 HydrophobicContact CG-CG 4.48Å; M195-W199 VanDerWaalsContact O-CB 3.3Å; M195-W199 WeakPolarHBondContact O-CB 3.24Å; M195-W199 PolarHBondContact O-N 3.07Å; I196-W199 HydrophobicContact CD1-CE3 4.41Å; I196-W199 HydrophobicContact CG2-CE3 4.13Å; I196-W199 HydrophobicContact CG2-CZ3 4.5Å; I196-W199 PolarHBondContact O-N 3.22Å; E197-W199 VanDerWaalsContact C-N 3.27Å; E197-W199 PolarHBondContact O-N 2.96Å; W199-F201 PolarHBondContact O-N 3.44Å; W199-R202 PolarHBondContact O-N 3.4Å; W199-V203 WeakPolarHBondContact O-CB 3.41Å; W199-V203 WeakPolarHBondContact O-CG2 3.31Å; W199-V203 PolarHBondContact O-N 2.84Å; W199-V206 HydrophobicContact CH2-CG1 4Å; W199-V206 HydrophobicContact CH2-CG2 3.78Å; W199-V206 HydrophobicContact CZ2-CG2 3.44Å; W199-V206 VanDerWaalsContact CZ2-CG2 3.44Å; W199-V206 HydrophobicContact CZ3-CG1 4.2Å; W199-V206 HydrophobicContact CZ3-CG2 4.42Å |
| 200 | V | 95.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -34.7 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | K106 I110 I196 E197 V206 | K106-V200 HydrophobicContact CB-CG1 4Å; K106-V200 HydrophobicContact CD-CG1 4.36Å; I110-V200 HydrophobicContact CD1-CG2 3.53Å; I196-V200 HydrophobicContact CG2-CG2 4.29Å; I196-V200 WeakPolarHBondContact O-CB 3.47Å; I196-V200 WeakPolarHBondContact O-CG2 3.4Å; I196-V200 PolarHBondContact O-N 2.99Å; E197-V200 PolarHBondContact O-N 3.39Å; V200-V206 HydrophobicContact CG2-CG1 4.38Å |
| 201 | F | 94.6 | Very high | 94.1 | Very high | 149 Ų | 149 | 38.3 Ų | 38.3 | 65% | 0.654 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -67.1 | -45.8 | 175.5 | 178.6 | -99.4 | 0 | 0 | 0 | 112.3 | E197 D198 W199 | E197-F201 WeakPolarHBondContact O-CB 3.48Å; E197-F201 PolarHBondContact O-N 2.83Å; D198-F201 PolarHBondContact O-N 2.94Å; W199-F201 PolarHBondContact O-N 3.44Å |
| 202 | R | 92.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 45% | 0.445 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -73.3 | -30 | -179.8 | -70.6 | 179.5 | -167.4 | -68.1 | -16.5 | 113.2 | D198 W199 P204 | D198-R202 WeakPolarHBondContact O-CB 3.37Å; D198-R202 VanDerWaalsContact O-CG 3.3Å; D198-R202 WeakPolarHBondContact O-CG 3.24Å; D198-R202 PolarHBondContact O-N 3.39Å; D198-R202 IonicContact OD1-CZ 4Å; D198-R202 VanDerWaalsContact OD1-CZ 3.26Å; D198-R202 IonicContact OD1-NE 3.57Å; D198-R202 PolarHBondContact OD1-NE 3.5Å; D198-R202 IonicContact OD1-NH2 2.94Å; D198-R202 PolarHBondContact OD1-NH2 3.22Å; D198-R202 WeakPolarHBondContact OD2-CD 3.44Å; D198-R202 IonicContact OD2-CZ 3.28Å; D198-R202 IonicContact OD2-NE 3.35Å; D198-R202 PolarHBondContact OD2-NE 2.9Å; D198-R202 IonicContact OD2-NH2 3.8Å; W199-R202 PolarHBondContact O-N 3.4Å; R202-P204 VanDerWaalsContact C-CD 3.48Å; R202-P204 WeakPolarHBondContact O-CD 3.38Å |
| 203 | V | 93.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | trans | -115.2 | 78.4 | -172.5 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | L169 E172 W199 H205 V206 | L169-V203 HydrophobicContact CB-CG1 4.16Å; L169-V203 HydrophobicContact CD2-CG1 3.56Å; L169-V203 HydrophobicContact CG-CG1 4.36Å; E172-V203 HydrophobicContact CB-CG2 3.51Å; E172-V203 HydrophobicContact CG-CG2 4.14Å; W199-V203 WeakPolarHBondContact O-CB 3.41Å; W199-V203 WeakPolarHBondContact O-CG2 3.31Å; W199-V203 PolarHBondContact O-N 2.84Å; V203-H205 HydrophobicContact CG1-CB 4.29Å; V203-H205 PolarHBondContact O-N 3.05Å; V203-V206 HydrophobicContact CB-CG2 4.23Å; V203-V206 HydrophobicContact CG1-CG2 3.97Å; V203-V206 PolarHBondContact O-N 3.04Å; V203-V206 VanDerWaalsContact O-N 3.08Å | ||
| 204 | P | 91.3 | Very high | 95 | Very high | 71 Ų | 71 | 31.5 Ų | 31.5 | 46% | 0.461 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.8 | -22.1 | -176 | 24.3 | -34.9 | 0 | 0 | 0 | 113.2 | R202 V206 A207 I208 | R202-P204 VanDerWaalsContact C-CD 3.48Å; R202-P204 WeakPolarHBondContact O-CD 3.38Å; P204-V206 PolarHBondContact O-N 3.45Å; P204-A207 PolarHBondContact O-N 2.87Å; P204-A207 VanDerWaalsContact O-N 3.12Å; P204-I208 WeakPolarHBondContact O-CG1 3.38Å; P204-I208 PolarHBondContact O-N 2.96Å |
| 205 | H | 93.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 29 Ų | 29 | 12% | 0.12 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.4 | -35.7 | 174.2 | -66.1 | 91.9 | 0 | 0 | 0 | 113.2 | L169 V203 A207 I208 F209 A256 | L169-H205 HydrophobicContact CD2-CB 3.82Å; V203-H205 HydrophobicContact CG1-CB 4.29Å; V203-H205 PolarHBondContact O-N 3.05Å; H205-A207 VanDerWaalsContact C-N 3.33Å; H205-A207 PolarHBondContact O-N 2.98Å; H205-I208 PolarHBondContact O-N 2.99Å; H205-F209 HydrophobicContact CB-CE1 4.42Å; H205-F209 HydrophobicContact CB-CE2 4.48Å; H205-F209 HydrophobicContact CB-CZ 4.29Å; H205-F209 VanDerWaalsContact O-CB 3.23Å; H205-F209 WeakPolarHBondContact O-CB 3.41Å; H205-F209 VanDerWaalsContact O-CD1 3.32Å; H205-F209 WeakPolarHBondContact O-CD1 3.37Å; H205-F209 WeakPolarHBondContact O-CG 3.49Å; H205-F209 PolarHBondContact O-N 3.16Å; H205-A256 WeakPolarHBondContact NE2-CB 3.39Å |
| 206 | V | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | I110 L133 W199 V200 V203 P204 L210 | I110-V206 HydrophobicContact CD1-CG1 3.87Å; L133-V206 HydrophobicContact CD2-CG1 4.07Å; W199-V206 HydrophobicContact CH2-CG1 4Å; W199-V206 HydrophobicContact CH2-CG2 3.78Å; W199-V206 HydrophobicContact CZ2-CG2 3.44Å; W199-V206 VanDerWaalsContact CZ2-CG2 3.44Å; W199-V206 HydrophobicContact CZ3-CG1 4.2Å; W199-V206 HydrophobicContact CZ3-CG2 4.42Å; V200-V206 HydrophobicContact CG2-CG1 4.38Å; V203-V206 HydrophobicContact CB-CG2 4.23Å; V203-V206 HydrophobicContact CG1-CG2 3.97Å; V203-V206 PolarHBondContact O-N 3.04Å; V203-V206 VanDerWaalsContact O-N 3.08Å; P204-V206 PolarHBondContact O-N 3.45Å; V206-L210 HydrophobicContact CG1-CD1 4.45Å; V206-L210 WeakPolarHBondContact O-CG 3.45Å; V206-L210 PolarHBondContact O-N 2.63Å; V206-L210 VanDerWaalsContact O-N 3.1Å |
| 207 | A | 95.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 12% | 0.116 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.6 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K106 P204 H205 F209 L210 S211 | K106-A207 HydrophobicContact CD-CB 3.93Å; P204-A207 PolarHBondContact O-N 2.87Å; P204-A207 VanDerWaalsContact O-N 3.12Å; H205-A207 VanDerWaalsContact C-N 3.33Å; H205-A207 PolarHBondContact O-N 2.98Å; A207-F209 VanDerWaalsContact C-N 3.32Å; A207-F209 PolarHBondContact O-N 3.21Å; A207-L210 PolarHBondContact O-N 2.94Å; A207-S211 PolarHBondContact O-N 2.89Å; A207-S211 PolarHBondContact O-OG 3.05Å |
| 208 | I | 95.4 | Very high | 95.4 | Very high | 63 Ų | 63 | 27.1 Ų | 27.1 | 32% | 0.323 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 178 | -66.5 | 165.8 | 0 | 0 | 0 | 110.6 | P204 H205 S211 V212 L230 | P204-I208 WeakPolarHBondContact O-CG1 3.38Å; P204-I208 PolarHBondContact O-N 2.96Å; H205-I208 PolarHBondContact O-N 2.99Å; I208-S211 WeakPolarHBondContact O-CB 3.3Å; I208-S211 PolarHBondContact O-N 2.75Å; I208-V212 HydrophobicContact CG2-CG2 4.49Å; I208-V212 WeakPolarHBondContact O-CG2 3.09Å; I208-V212 PolarHBondContact O-N 2.89Å; I208-L230 HydrophobicContact CG2-CD1 3.99Å; I208-L230 HydrophobicContact CG2-CD2 3.7Å; I208-L230 HydrophobicContact CG2-CG 4.44Å |
| 209 | F | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | -179.1 | -71.7 | 3.5 | 0 | 0 | 0 | 111.7 | L133 V134 V137 L165 L169 H205 A207 S211 V212 V213 L230 M252 | L133-F209 HydrophobicContact CD1-CB 4.01Å; L133-F209 HydrophobicContact CD2-CB 4.02Å; L133-F209 HydrophobicContact CG-CB 3.85Å; V134-F209 HydrophobicContact CG2-CD2 4.09Å; V134-F209 HydrophobicContact CG2-CE2 3.97Å; V137-F209 HydrophobicContact CG2-CB 3.5Å; V137-F209 HydrophobicContact CG2-CD1 4.1Å; V137-F209 HydrophobicContact CG2-CD2 4.23Å; V137-F209 HydrophobicContact CG2-CG 3.69Å; L165-F209 HydrophobicContact CD2-CE2 4Å; L165-F209 HydrophobicContact CD2-CZ 4.13Å; L169-F209 HydrophobicContact CD1-CD2 4.38Å; L169-F209 HydrophobicContact CD1-CE2 4.02Å; H205-F209 HydrophobicContact CB-CE1 4.42Å; H205-F209 HydrophobicContact CB-CE2 4.48Å; H205-F209 HydrophobicContact CB-CZ 4.29Å; H205-F209 VanDerWaalsContact O-CB 3.23Å; H205-F209 WeakPolarHBondContact O-CB 3.41Å; H205-F209 VanDerWaalsContact O-CD1 3.32Å; H205-F209 WeakPolarHBondContact O-CD1 3.37Å; H205-F209 WeakPolarHBondContact O-CG 3.49Å; H205-F209 PolarHBondContact O-N 3.16Å; A207-F209 VanDerWaalsContact C-N 3.32Å; A207-F209 PolarHBondContact O-N 3.21Å; F209-S211 VanDerWaalsContact C-N 3.33Å; F209-S211 PolarHBondContact O-N 2.79Å; F209-V212 PolarHBondContact O-N 3.22Å; F209-V213 WeakPolarHBondContact O-CG2 3.23Å; F209-V213 PolarHBondContact O-N 2.9Å; F209-L230 HydrophobicContact CE1-CD1 4.4Å; F209-M252 HydrophobicContact CD1-CE 4.08Å; F209-M252 HydrophobicContact CE1-CE 3.32Å; F209-M252 HydrophobicContact CZ-CE 3.87Å |
| 210 | L | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 170.4 | -77.6 | 166.9 | 0 | 0 | 0 | 111.1 | L98 I110 M113 F129 L133 V206 A207 V212 V213 I214 | L98-L210 HydrophobicContact CD2-CD1 4.23Å; I110-L210 HydrophobicContact CD1-CD1 3.98Å; I110-L210 HydrophobicContact CG1-CD1 4.01Å; M113-L210 HydrophobicContact SD-CD2 4.42Å; F129-L210 HydrophobicContact CZ-CD2 4.31Å; L133-L210 HydrophobicContact CD1-CD2 3.89Å; L133-L210 HydrophobicContact CD1-CG 4.01Å; L133-L210 HydrophobicContact CD2-CG 4.1Å; V206-L210 HydrophobicContact CG1-CD1 4.45Å; V206-L210 WeakPolarHBondContact O-CG 3.45Å; V206-L210 PolarHBondContact O-N 2.63Å; V206-L210 VanDerWaalsContact O-N 3.1Å; A207-L210 PolarHBondContact O-N 2.94Å; L210-V212 PolarHBondContact O-N 3.39Å; L210-V213 PolarHBondContact O-N 3.26Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.1Å; L210-I214 PolarHBondContact O-N 3.22Å |
| 211 | S | 96.6 | Very high | 95.4 | Very high | 18 Ų | 18 | 29.4 Ų | 29.4 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 175.8 | -67 | 0 | 0 | 0 | 0 | 112.3 | A207 I208 F209 I214 H215 | A207-S211 PolarHBondContact O-N 2.89Å; A207-S211 PolarHBondContact O-OG 3.05Å; I208-S211 WeakPolarHBondContact O-CB 3.3Å; I208-S211 PolarHBondContact O-N 2.75Å; F209-S211 VanDerWaalsContact C-N 3.33Å; F209-S211 PolarHBondContact O-N 2.79Å; S211-I214 PolarHBondContact O-N 3Å; S211-H215 VanDerWaalsContact O-CB 3.26Å; S211-H215 WeakPolarHBondContact O-CB 3.46Å; S211-H215 PolarHBondContact O-CD2 3.49Å; S211-H215 PolarHBondContact O-N 3.24Å |
| 212 | V | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60 | -50.7 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | V137 L141 I208 F209 L210 I214 K216 L225 L227 L230 | V137-V212 HydrophobicContact CG1-CG1 4.13Å; V137-V212 HydrophobicContact CG2-CB 4.36Å; V137-V212 HydrophobicContact CG2-CG1 4.45Å; L141-V212 HydrophobicContact CD2-CG1 3.95Å; L141-V212 HydrophobicContact CG-CG1 4.12Å; I208-V212 HydrophobicContact CG2-CG2 4.49Å; I208-V212 WeakPolarHBondContact O-CG2 3.09Å; I208-V212 PolarHBondContact O-N 2.89Å; F209-V212 PolarHBondContact O-N 3.22Å; L210-V212 PolarHBondContact O-N 3.39Å; V212-I214 VanDerWaalsContact C-N 3.33Å; V212-I214 PolarHBondContact O-N 3.41Å; V212-K216 WeakPolarHBondContact O-CB 3.37Å; V212-K216 PolarHBondContact O-N 3.37Å; V212-L225 HydrophobicContact CB-CD2 4.36Å; V212-L225 HydrophobicContact CG2-CD2 3.99Å; V212-L227 HydrophobicContact CG2-CD2 4Å; V212-L230 HydrophobicContact CG2-CD2 3.59Å |
| 213 | V | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | -179.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V58 M62 L66 L133 V137 V140 F209 L210 G217 | V58-V213 HydrophobicContact CG1-CG1 3.99Å; M62-V213 HydrophobicContact CG-CG1 3.86Å; L66-V213 HydrophobicContact CD1-CG1 4.08Å; L133-V213 HydrophobicContact CD1-CG2 4.2Å; V137-V213 HydrophobicContact CG2-CG2 4Å; V140-V213 HydrophobicContact CG2-CG2 4.5Å; F209-V213 WeakPolarHBondContact O-CG2 3.23Å; F209-V213 PolarHBondContact O-N 2.9Å; L210-V213 PolarHBondContact O-N 3.26Å; V213-G217 WeakPolarHBondContact O-CA 3.34Å; V213-G217 PolarHBondContact O-N 3.41Å |
| 214 | I | 97.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73 | -55.8 | -179.2 | -63.7 | 164.5 | 0 | 0 | 0 | 110.5 | L66 M95 L98 L99 L210 S211 V212 K216 F218 V220 | L66-I214 HydrophobicContact CD2-CG1 4.4Å; M95-I214 HydrophobicContact CE-CG2 4.29Å; M95-I214 HydrophobicContact SD-CG2 3.78Å; L98-I214 HydrophobicContact CB-CD1 3.66Å; L98-I214 HydrophobicContact CD1-CD1 3.81Å; L98-I214 HydrophobicContact CG-CD1 4.22Å; L99-I214 HydrophobicContact CD1-CG2 4.05Å; L99-I214 HydrophobicContact CD2-CB 3.99Å; L99-I214 HydrophobicContact CD2-CD1 3.96Å; L99-I214 HydrophobicContact CD2-CG2 3.86Å; L99-I214 HydrophobicContact CG-CG2 4.29Å; L210-I214 VanDerWaalsContact O-CG1 3.27Å; L210-I214 WeakPolarHBondContact O-CG1 3.1Å; L210-I214 PolarHBondContact O-N 3.22Å; S211-I214 PolarHBondContact O-N 3Å; V212-I214 VanDerWaalsContact C-N 3.33Å; V212-I214 PolarHBondContact O-N 3.41Å; I214-K216 PolarHBondContact O-N 3.29Å; I214-F218 WeakPolarHBondContact O-CA 3.38Å; I214-F218 VanDerWaalsContact O-CB 3.23Å; I214-F218 WeakPolarHBondContact O-CB 3.38Å; I214-F218 PolarHBondContact O-N 3.22Å; I214-V220 HydrophobicContact CG2-CG1 4.01Å |
| 215 | H | 97.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.046 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -50.1 | -175.5 | -72.5 | -61.5 | 0 | 0 | 0 | 112 | S211 L219 V220 L221 C222 L225 | S211-H215 VanDerWaalsContact O-CB 3.26Å; S211-H215 WeakPolarHBondContact O-CB 3.46Å; S211-H215 PolarHBondContact O-CD2 3.49Å; S211-H215 PolarHBondContact O-N 3.24Å; H215-L219 VanDerWaalsContact O-CA 3.25Å; H215-L219 WeakPolarHBondContact O-CA 3.28Å; H215-L219 PolarHBondContact O-N 3.02Å; H215-L219 VanDerWaalsContact O-N 3.09Å; H215-V220 WeakPolarHBondContact CA-O 3.43Å; H215-V220 PolarHBondContact ND1-O 3.12Å; H215-V220 PolarHBondContact O-N 3.25Å; H215-L221 PolarHBondContact CE1-O 2.8Å; H215-L221 PolarHBondContact ND1-O 3.18Å; H215-L221 VanDerWaalsContact ND1-O 3.08Å; H215-C222 PolarHBondContact O-SG 3.28Å; H215-L225 HydrophobicContact CB-CB 4.22Å; H215-L225 HydrophobicContact CB-CD2 3.96Å |
| 216 | K | 96.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 27.1 Ų | 27.1 | 12% | 0.122 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -89.2 | -26.2 | -174.4 | -62.1 | -70.8 | -178.9 | 163.4 | 0 | 112.8 | V140 R144 E146 V212 I214 L225 L227 | V140-K216 HydrophobicContact CG1-CB 3.54Å; R144-K216 HydrophobicContact CG-CB 4.46Å; R144-K216 PolarHBondContact NE-O 2.9Å; R144-K216 PolarHBondContact NH2-O 3.33Å; E146-K216 IonicContact OE1-NZ 2.75Å; E146-K216 PolarHBondContact OE1-NZ 2.75Å; V212-K216 WeakPolarHBondContact O-CB 3.37Å; V212-K216 PolarHBondContact O-N 3.37Å; I214-K216 PolarHBondContact O-N 3.29Å; K216-L225 HydrophobicContact CG-CD2 4.13Å; K216-L227 HydrophobicContact CD-CD1 4.42Å; K216-L227 HydrophobicContact CG-CD1 4.42Å |
| 217 | G | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.4 | -48.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V58 R144 V213 | V58-G217 VanDerWaalsContact CG2-CA 3.43Å; R144-G217 PolarHBondContact NH2-O 2.87Å; V213-G217 WeakPolarHBondContact O-CA 3.34Å; V213-G217 PolarHBondContact O-N 3.41Å |
| 218 | F | 95.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -92.5 | -5.9 | -174.5 | -65.3 | 29.7 | 0 | 0 | 0 | 112.6 | L27 L50 V54 V58 L66 M95 I214 V220 | L27-F218 HydrophobicContact CD2-CB 4.13Å; L27-F218 HydrophobicContact CD2-CD2 4.34Å; L50-F218 HydrophobicContact CD1-CD2 4.3Å; L50-F218 HydrophobicContact CD1-CE2 3.77Å; L50-F218 HydrophobicContact CD1-CZ 4.04Å; L50-F218 HydrophobicContact CD2-CE2 4.47Å; L50-F218 HydrophobicContact CD2-CZ 4.24Å; V54-F218 HydrophobicContact CG1-CD1 3.83Å; V54-F218 HydrophobicContact CG1-CE1 4.01Å; V54-F218 HydrophobicContact CG1-CG 4.3Å; V58-F218 HydrophobicContact CG2-CD1 4.41Å; V58-F218 HydrophobicContact CG2-CE1 4.45Å; L66-F218 HydrophobicContact CB-CZ 4.28Å; L66-F218 HydrophobicContact CD1-CE1 3.69Å; L66-F218 HydrophobicContact CD1-CZ 3.64Å; M95-F218 HydrophobicContact CE-CD2 3.79Å; M95-F218 HydrophobicContact CE-CE2 3.88Å; I214-F218 WeakPolarHBondContact O-CA 3.38Å; I214-F218 VanDerWaalsContact O-CB 3.23Å; I214-F218 WeakPolarHBondContact O-CB 3.38Å; I214-F218 PolarHBondContact O-N 3.22Å; F218-V220 HydrophobicContact CB-CG1 4.08Å |
| 219 | L | 94.9 | Very high | 93.4 | Very high | 101 Ų | 101 | 28.7 Ų | 28.7 | 53% | 0.529 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 50.1 | -177.9 | -61.5 | 176.4 | 0 | 0 | 0 | 113.1 | H215 | H215-L219 VanDerWaalsContact O-CA 3.25Å; H215-L219 WeakPolarHBondContact O-CA 3.28Å; H215-L219 PolarHBondContact O-N 3.02Å; H215-L219 VanDerWaalsContact O-N 3.09Å |
| 220 | V | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | trans | -128.7 | 133.8 | -177.3 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | I24 L27 I214 H215 F218 C222 | I24-V220 HydrophobicContact CD1-CG2 3.74Å; L27-V220 HydrophobicContact CB-CG2 4.47Å; L27-V220 HydrophobicContact CD2-CB 3.76Å; L27-V220 HydrophobicContact CD2-CG1 4.06Å; L27-V220 HydrophobicContact CD2-CG2 3.92Å; I214-V220 HydrophobicContact CG2-CG1 4.01Å; H215-V220 WeakPolarHBondContact CA-O 3.43Å; H215-V220 PolarHBondContact ND1-O 3.12Å; H215-V220 PolarHBondContact O-N 3.25Å; F218-V220 HydrophobicContact CB-CG1 4.08Å; V220-C222 PolarHBondContact O-N 2.81Å; V220-C222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | L | 93.3 | Very high | 93 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 51.6 | 38 | -179.5 | -55.5 | 177.9 | 0 | 0 | 0 | 112.7 | F16 E20 E23 I24 L99 H215 S223 S224 | F16-L221 HydrophobicContact CD1-CD1 4.02Å; F16-L221 HydrophobicContact CE1-CD1 3.59Å; F16-L221 HydrophobicContact CZ-CD1 4.34Å; E20-L221 HydrophobicContact CB-CD1 4.35Å; E20-L221 HydrophobicContact CB-CD2 3.61Å; E20-L221 HydrophobicContact CG-CD2 3.84Å; E23-L221 HydrophobicContact CB-CD2 3.8Å; E23-L221 HydrophobicContact CG-CD2 4.32Å; E23-L221 VanDerWaalsContact OE2-CA 3.3Å; E23-L221 WeakPolarHBondContact OE2-CA 3.05Å; E23-L221 PolarHBondContact OE2-N 2.82Å; I24-L221 HydrophobicContact CD1-CD1 4.09Å; I24-L221 HydrophobicContact CD1-CG 4.5Å; I24-L221 HydrophobicContact CG1-CD1 4.36Å; L99-L221 HydrophobicContact CD1-CD1 4.08Å; H215-L221 PolarHBondContact CE1-O 2.8Å; H215-L221 PolarHBondContact ND1-O 3.18Å; H215-L221 VanDerWaalsContact ND1-O 3.08Å; L221-S223 PolarHBondContact O-N 3.29Å; L221-S224 WeakPolarHBondContact O-CB 3.27Å; L221-S224 PolarHBondContact O-N 3.47Å |
| 222 | C | 89.4 | Confident | 92.9 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 28% | 0.284 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -60.8 | -29.1 | -172.4 | -77.1 | 0 | 0 | 0 | 0 | 113.3 | H215 V220 S224 | H215-C222 PolarHBondContact O-SG 3.28Å; V220-C222 PolarHBondContact O-N 2.81Å; V220-C222 VanDerWaalsContact O-N 3.13Å; C222-S224 VanDerWaalsContact C-N 3.27Å; C222-S224 PolarHBondContact O-N 2.94Å |
| 223 | S | 87.8 | Confident | 92.8 | Very high | 108 Ų | 108 | 32.1 Ų | 32.1 | 76% | 0.755 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -70.3 | -20.9 | 176.8 | 49 | 0 | 0 | 0 | 0 | 113.4 | L221 L225 | L221-S223 PolarHBondContact O-N 3.29Å; S223-L225 VanDerWaalsContact C-N 3.28Å; S223-L225 PolarHBondContact O-N 3.4Å |
| 224 | S | 87.9 | Confident | 92.5 | Very high | 58 Ų | 58 | 34 Ų | 34 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -79.5 | -9.7 | -179.7 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | L221 C222 | L221-S224 WeakPolarHBondContact O-CB 3.27Å; L221-S224 PolarHBondContact O-N 3.47Å; C222-S224 VanDerWaalsContact C-N 3.27Å; C222-S224 PolarHBondContact O-N 2.94Å |
| 225 | L | 89.6 | Confident | 92.2 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | trans | -109.1 | 107 | 179.1 | -178.1 | 68.1 | 0 | 0 | 0 | 110.9 | V212 H215 K216 S223 L227 | V212-L225 HydrophobicContact CB-CD2 4.36Å; V212-L225 HydrophobicContact CG2-CD2 3.99Å; H215-L225 HydrophobicContact CB-CB 4.22Å; H215-L225 HydrophobicContact CB-CD2 3.96Å; K216-L225 HydrophobicContact CG-CD2 4.13Å; S223-L225 VanDerWaalsContact C-N 3.28Å; S223-L225 PolarHBondContact O-N 3.4Å; L225-L227 HydrophobicContact CD2-CD2 3.73Å; L225-L227 HydrophobicContact CD2-CG 4.27Å; L225-L227 HydrophobicContact CG-CD2 4Å; L225-L227 HydrophobicContact CG-CG 4.35Å; L225-L227 PolarHBondContact O-N 3.47Å | ||
| 226 | D | 88.8 | Confident | 91.7 | Very high | 88 Ų | 88 | 39 Ų | 39 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | trans | -83.6 | 102.6 | 170.4 | 178.6 | 18.1 | 0 | 0 | 0 | 110.7 | T228 | D226-T228 VanDerWaalsContact C-N 3.27Å; D226-T228 VanDerWaalsContact CG-OG1 3.24Å; D226-T228 PolarHBondContact O-N 3.09Å; D226-T228 VanDerWaalsContact OD1-CB 3.26Å; D226-T228 WeakPolarHBondContact OD1-CB 3.37Å; D226-T228 VanDerWaalsContact OD1-CG2 3.3Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.22Å; D226-T228 PolarHBondContact OD1-N 3.4Å; D226-T228 PolarHBondContact OD1-OG1 3.06Å; D226-T228 PolarHBondContact OD2-OG1 3.16Å; D226-T228 VanDerWaalsContact OD2-OG1 3.14Å | ||
| 227 | L | 90.8 | Very high | 90.9 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | trans | -76.1 | -13.2 | 175.6 | -70 | -178.1 | 0 | 0 | 0 | 113.1 | L141 E146 V212 K216 L225 T229 L230 V231 | L141-L227 HydrophobicContact CD2-CD1 3.84Å; L141-L227 HydrophobicContact CD2-CD2 4.26Å; E146-L227 HydrophobicContact CB-CD1 3.98Å; E146-L227 HydrophobicContact CG-CD1 4.17Å; V212-L227 HydrophobicContact CG2-CD2 4Å; K216-L227 HydrophobicContact CD-CD1 4.42Å; K216-L227 HydrophobicContact CG-CD1 4.42Å; L225-L227 HydrophobicContact CD2-CD2 3.73Å; L225-L227 HydrophobicContact CD2-CG 4.27Å; L225-L227 HydrophobicContact CG-CD2 4Å; L225-L227 HydrophobicContact CG-CG 4.35Å; L225-L227 PolarHBondContact O-N 3.47Å; L227-T229 VanDerWaalsContact C-N 3.26Å; L227-T229 PolarHBondContact O-N 2.91Å; L227-L230 HydrophobicContact CD2-CD2 4.14Å; L227-L230 PolarHBondContact O-N 2.9Å; L227-V231 PolarHBondContact O-N 3.4Å | ||
| 228 | T | 87.7 | Confident | 89.1 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 33% | 0.331 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.7 | -170 | 66 | 0 | 0 | 0 | 0 | 113.1 | R148 D226 H264 | R148-T228 VanDerWaalsContact NH1-CA 3.35Å; D226-T228 VanDerWaalsContact C-N 3.27Å; D226-T228 VanDerWaalsContact CG-OG1 3.24Å; D226-T228 PolarHBondContact O-N 3.09Å; D226-T228 VanDerWaalsContact OD1-CB 3.26Å; D226-T228 WeakPolarHBondContact OD1-CB 3.37Å; D226-T228 VanDerWaalsContact OD1-CG2 3.3Å; D226-T228 WeakPolarHBondContact OD1-CG2 3.22Å; D226-T228 PolarHBondContact OD1-N 3.4Å; D226-T228 PolarHBondContact OD1-OG1 3.06Å; D226-T228 PolarHBondContact OD2-OG1 3.16Å; D226-T228 VanDerWaalsContact OD2-OG1 3.14Å; T228-H264 WeakPolarHBondContact O-CA 3.47Å |
| 229 | T | 87.2 | Confident | 87.3 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -11.4 | 177.2 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | L227 N255 | L227-T229 VanDerWaalsContact C-N 3.26Å; L227-T229 PolarHBondContact O-N 2.91Å; T229-N255 PolarHBondContact O-ND2 3.47Å |
| 230 | L | 92.3 | Very high | 85.7 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.068 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -50 | 178.3 | -176.3 | 61.6 | 0 | 0 | 0 | 111 | I208 F209 V212 L227 M252 | I208-L230 HydrophobicContact CG2-CD1 3.99Å; I208-L230 HydrophobicContact CG2-CD2 3.7Å; I208-L230 HydrophobicContact CG2-CG 4.44Å; F209-L230 HydrophobicContact CE1-CD1 4.4Å; V212-L230 HydrophobicContact CG2-CD2 3.59Å; L227-L230 HydrophobicContact CD2-CD2 4.14Å; L227-L230 PolarHBondContact O-N 2.9Å; L230-M252 HydrophobicContact CD1-CE 3.68Å; L230-M252 HydrophobicContact CD1-CG 4.42Å; L230-M252 HydrophobicContact CD2-CE 3.73Å; L230-M252 HydrophobicContact CG-CE 3.64Å; L230-M252 HydrophobicContact CG-CG 4.37Å |
| 231 | V | 94.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -114.3 | 105.8 | 177 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | L141 R148 L227 I248 M252 | L141-V231 HydrophobicContact CD1-CG2 4.02Å; R148-V231 HydrophobicContact CB-CG1 4.05Å; R148-V231 VanDerWaalsContact CD-O 3.24Å; R148-V231 WeakPolarHBondContact CD-O 3.49Å; R148-V231 HydrophobicContact CG-CG1 4.12Å; R148-V231 PolarHBondContact NH1-O 2.72Å; L227-V231 PolarHBondContact O-N 3.4Å; V231-I248 HydrophobicContact CB-CD1 4.32Å; V231-I248 HydrophobicContact CG1-CD1 3.55Å; V231-I248 HydrophobicContact CG2-CD1 3.9Å; V231-M252 HydrophobicContact CG2-CG 4.13Å; V231-M252 HydrophobicContact CG2-SD 4.36Å |
| 232 | P | 94.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 152.3 | 176.1 | 26.8 | -30.5 | 0 | 0 | 0 | 110.3 | W150 R234 V251 R263 H264 W266 | W150-P232 HydrophobicContact CZ2-CG 4.26Å; W150-P232 PolarHBondContact NE1-O 2.86Å; P232-R234 PolarHBondContact O-N 3.23Å; P232-V251 VanDerWaalsContact CD-CG1 3.43Å; P232-V251 HydrophobicContact CG-CG1 3.37Å; P232-R263 WeakPolarHBondContact CB-O 3.48Å; P232-H264 WeakPolarHBondContact CA-O 3.48Å; P232-W266 HydrophobicContact CB-CB 4.44Å; P232-W266 HydrophobicContact CB-CG 3.95Å; P232-W266 VanDerWaalsContact CG-CD1 3.47Å; P232-W266 HydrophobicContact CG-CD2 4.24Å; P232-W266 HydrophobicContact CG-CG 3.87Å |
| 233 | E | 93.8 | Very high | 83.6 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 129.6 | 167.9 | -162.4 | 172.3 | 130.9 | 0 | 0 | 110.2 | R148 Q235 H264 C265 W266 | R148-E233 IonicContact NH2-OE2 3.52Å; R148-E233 PolarHBondContact NH2-OE2 3.23Å; E233-Q235 HydrophobicContact CG-CG 4.44Å; E233-Q235 PolarHBondContact OE1-NE2 2.82Å; E233-H264 PolarHBondContact N-O 3.28Å; E233-C265 HydrophobicContact CB-CB 4.49Å; E233-W266 PolarHBondContact O-N 2.86Å |
| 234 | R | 92.9 | Very high | 83.8 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.1 | 172.5 | -171.2 | -165.8 | 174.3 | -177.6 | -0.7 | 109.9 | R148 G149 W150 P232 V236 F242 W409 | R148-R234 WeakPolarHBondContact O-CB 3.35Å; R148-R234 PolarHBondContact O-N 2.96Å; G149-R234 VanDerWaalsContact C-CD 3.5Å; G149-R234 WeakPolarHBondContact O-CD 3.23Å; G149-R234 PolarHBondContact O-NH1 3.43Å; W150-R234 HydrophobicContact CD2-CB 3.98Å; W150-R234 HydrophobicContact CD2-CG 4.14Å; W150-R234 HydrophobicContact CE3-CG 4.26Å; W150-R234 HydrophobicContact CG-CB 4.24Å; W150-R234 HydrophobicContact CH2-CG 4.29Å; W150-R234 HydrophobicContact CZ2-CB 4.14Å; W150-R234 HydrophobicContact CZ2-CG 4.15Å; W150-R234 HydrophobicContact CZ3-CG 4.34Å; P232-R234 PolarHBondContact O-N 3.23Å; R234-V236 HydrophobicContact CG-CG2 4.18Å; R234-F242 PolarHBondContact NH2-O 2.95Å; R234-W409 HydrophobicContact CG-CH2 4.04Å; R234-W409 HydrophobicContact CG-CZ3 3.91Å |
| 235 | Q | 91.2 | Very high | 84.1 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.5 | 173.4 | -61.4 | -175.1 | -5.6 | 0 | 0 | 110.5 | E233 C265 W266 R267 L268 | E233-Q235 HydrophobicContact CG-CG 4.44Å; E233-Q235 PolarHBondContact OE1-NE2 2.82Å; Q235-C265 PolarHBondContact NE2-SG 2.81Å; Q235-C265 VanDerWaalsContact NE2-SG 3.39Å; Q235-W266 PolarHBondContact N-O 3.31Å; Q235-R267 HydrophobicContact CB-CB 4.35Å; Q235-R267 HydrophobicContact CB-CG 3.99Å; Q235-R267 HydrophobicContact CG-CG 4.43Å; Q235-R267 WeakPolarHBondContact O-CA 3.24Å; Q235-R267 VanDerWaalsContact OE1-CD 3.29Å; Q235-L268 PolarHBondContact O-N 3Å |
| 236 | V | 86 | Confident | 84.3 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 26% | 0.255 | 34% | 0.336 | S | S | . | . | trans | -133.2 | 139.2 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | R234 Q238 L268 W409 | R234-V236 HydrophobicContact CG-CG2 4.18Å; V236-Q238 PolarHBondContact O-N 3.1Å; V236-L268 HydrophobicContact CG1-CD2 4.04Å; V236-L268 HydrophobicContact CG2-CB 4.26Å; V236-L268 HydrophobicContact CG2-CD2 4.43Å; V236-W409 HydrophobicContact CG2-CH2 4.26Å; V236-W409 HydrophobicContact CG2-CZ3 4.29Å | ||
| 237 | D | 79.4 | Confident | 84.4 | Confident | 127 Ų | 127 | 56.8 Ų | 56.8 | 68% | 0.679 | 32% | 0.316 | S | S | * | . | trans | -56.1 | 132.1 | 178.8 | -68.6 | -29.3 | 0 | 0 | 0 | 111 | G239 | D237-G239 PolarHBondContact O-N 2.95Š| ||
| 238 | Q | 56.9 | Low | 84.5 | Confident | 204 Ų | 204 | 56.4 Ų | 56.4 | 95% | 0.953 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 131.3 | -167.6 | -64.1 | -179.3 | 1 | 0 | 0 | 111.9 | V236 | V236-Q238 PolarHBondContact O-N 3.1Š|
| 239 | G | 58.1 | Low | 84.8 | Confident | 82 Ų | 82 | 54 Ų | 54 | 85% | 0.845 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.8 | -3.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | D237 | D237-G239 PolarHBondContact O-N 2.95Š|
| 240 | R | 62.3 | Low | 85.2 | Confident | 177 Ų | 177 | 51.9 Ų | 51.9 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | trans | -124 | 124.1 | 174.6 | -64.4 | -173 | -178.7 | -166.8 | 1.6 | 111 | F242 L274 | R240-F242 PolarHBondContact O-N 3.34Å; R240-L274 HydrophobicContact CB-CD2 4.2Å | ||
| 241 | G | 68 | Low | 85.3 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 81% | 0.814 | 28% | 0.282 | S | S | * | . | trans | -65 | 130.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 242 | F | 80.3 | Confident | 85.4 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | trans | -141.7 | 123.4 | -177.1 | 167.4 | -120.3 | 0 | 0 | 0 | 109.4 | R234 R240 L268 S271 E273 L274 E407 W409 | R234-F242 PolarHBondContact NH2-O 2.95Å; R240-F242 PolarHBondContact O-N 3.34Å; F242-L268 HydrophobicContact CD1-CD2 3.68Å; F242-L268 HydrophobicContact CE1-CD1 4.09Å; F242-L268 HydrophobicContact CE1-CD2 3.58Å; F242-L268 HydrophobicContact CE1-CG 4.49Å; F242-L268 HydrophobicContact CG-CD2 4.47Å; F242-L268 HydrophobicContact CZ-CD2 4.28Å; F242-S271 WeakPolarHBondContact CE2-OG 3.44Å; F242-S271 WeakPolarHBondContact CZ-OG 3.24Å; F242-E273 HydrophobicContact CE2-CB 4.33Å; F242-L274 HydrophobicContact CB-CD1 3.97Å; F242-L274 HydrophobicContact CB-CD2 4.24Å; F242-L274 HydrophobicContact CB-CG 4.38Å; F242-L274 HydrophobicContact CD1-CD1 4.31Å; F242-L274 HydrophobicContact CD2-CD1 4.07Å; F242-L274 HydrophobicContact CD2-CD2 4.39Å; F242-L274 HydrophobicContact CD2-CG 3.98Å; F242-L274 HydrophobicContact CG-CD1 3.84Å; F242-L274 HydrophobicContact CG-CG 4.22Å; F242-E407 HydrophobicContact CZ-CG 3.9Å; F242-E407 WeakPolarHBondContact CZ-OE1 3.12Å; F242-W409 HydrophobicContact CE1-CH2 4.1Å; F242-W409 AromaticContact CE1-CZ2 3.92Å; F242-W409 HydrophobicContact CE1-CZ2 3.92Å | ||
| 243 | E | 85.9 | Confident | 85.4 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | trans | -92.3 | 119.9 | 173.3 | -67.2 | -164 | 155.1 | 0 | 0 | 109.5 | K153 | K153-E243 IonicContact NZ-OE1 3.03Å; K153-E243 PolarHBondContact NZ-OE1 3.01Å | ||
| 244 | S | 91.9 | Very high | 85.6 | Confident | 15 Ų | 15 | 48 Ų | 48 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | trans | -77.7 | 143.7 | -179.2 | 164.8 | 0 | 0 | 0 | 0 | 110.8 | L246 E407 | S244-L246 PolarHBondContact O-N 3.1Å; S244-L246 WeakPolarHBondContact OG-CB 3.48Å; S244-L246 PolarHBondContact OG-N 3.17Å; S244-L246 PolarHBondContact OG-O 3.21Å; S244-E407 WeakPolarHBondContact CA-OE1 3.46Å; S244-E407 PolarHBondContact OG-OE2 2.73Å | ||
| 245 | I | 93.5 | Very high | 85.8 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -56.8 | -36.8 | 166.5 | -61.7 | 165.9 | 0 | 0 | 0 | 109.3 | V295 E297 V303 K405 E407 | I245-V295 HydrophobicContact CG2-CG2 4.15Å; I245-E297 HydrophobicContact CG2-CB 4.33Å; I245-V303 HydrophobicContact CG2-CG1 3.63Å; I245-V303 HydrophobicContact CG2-CG2 4.14Å; I245-K405 HydrophobicContact CD1-CB 3.71Å; I245-K405 HydrophobicContact CG1-CB 4.04Å; I245-K405 HydrophobicContact CG1-CD 4.32Å; I245-E407 HydrophobicContact CD1-CG 3.75Å; I245-E407 HydrophobicContact CG1-CG 4.21Å; I245-E407 VanDerWaalsContact CG1-OE1 3.29Å; I245-E407 WeakPolarHBondContact CG1-OE1 3.5Å; I245-E407 PolarHBondContact N-OE1 3.19Å |
| 246 | L | 93.1 | Very high | 86 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | trans | -84.4 | 123.2 | 179.7 | -58.7 | 174.2 | 0 | 0 | 0 | 111.4 | W150 S244 V251 I254 W266 V295 | W150-L246 HydrophobicContact CZ3-CB 4.36Å; S244-L246 PolarHBondContact O-N 3.1Å; S244-L246 WeakPolarHBondContact OG-CB 3.48Å; S244-L246 PolarHBondContact OG-N 3.17Å; S244-L246 PolarHBondContact OG-O 3.21Å; L246-V251 HydrophobicContact CB-CG2 3.82Å; L246-V251 HydrophobicContact CD1-CG2 4.34Å; L246-I254 HydrophobicContact CD1-CD1 4.34Å; L246-I254 HydrophobicContact CD2-CD1 3.86Å; L246-W266 HydrophobicContact CD1-CH2 4.36Å; L246-W266 HydrophobicContact CD1-CZ3 3.63Å; L246-V295 HydrophobicContact CD1-CG1 4.11Å; L246-V295 HydrophobicContact CD2-CB 4.49Å; L246-V295 HydrophobicContact CD2-CG1 4.43Å; L246-V295 HydrophobicContact CD2-CG2 3.97Å; L246-V295 HydrophobicContact CG-CG1 4.1Å; L246-V295 HydrophobicContact CG-CG2 4.48Å | ||
| 247 | D | 91.7 | Very high | 86.4 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | trans | -83.6 | 170.6 | 162.4 | 60.5 | 36.2 | 0 | 0 | 0 | 111.5 | A155 R161 L249 S250 V251 | A155-D247 HydrophobicContact CB-CB 4.14Å; A155-D247 WeakPolarHBondContact CB-OD2 3.15Å; R161-D247 VanDerWaalsContact CB-OD2 3.28Å; R161-D247 WeakPolarHBondContact CB-OD2 3.3Å; R161-D247 WeakPolarHBondContact CD-OD2 3.49Å; R161-D247 WeakPolarHBondContact CG-OD2 3.38Å; R161-D247 IonicContact CZ-OD2 2.76Å; R161-D247 IonicContact NE-OD2 3.26Å; R161-D247 PolarHBondContact NE-OD2 3.08Å; D247-L249 PolarHBondContact O-N 3.18Å; D247-L249 PolarHBondContact OD1-N 3.03Å; D247-S250 WeakPolarHBondContact O-CB 3.46Å; D247-S250 PolarHBondContact O-N 3.45Å; D247-S250 VanDerWaalsContact O-N 3.16Å; D247-S250 VanDerWaalsContact OD1-CB 3.29Å; D247-S250 WeakPolarHBondContact OD1-CB 3.37Å; D247-S250 PolarHBondContact OD1-N 2.85Å; D247-S250 PolarHBondContact OD1-OG 3.25Å; D247-V251 WeakPolarHBondContact O-CG2 3.43Å; D247-V251 PolarHBondContact O-N 3.12Å | ||
| 248 | I | 92.8 | Very high | 87.2 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -35.3 | -178 | -170.6 | 58.2 | 0 | 0 | 0 | 113.6 | V138 L147 W150 V231 V251 M252 | V138-I248 HydrophobicContact CG1-CG2 4.04Å; V138-I248 HydrophobicContact CG2-CG2 4.02Å; L147-I248 HydrophobicContact CD2-CB 4.18Å; L147-I248 HydrophobicContact CD2-CD1 4.34Å; L147-I248 HydrophobicContact CD2-CG1 3.82Å; L147-I248 HydrophobicContact CD2-CG2 4.3Å; W150-I248 HydrophobicContact CB-CD1 3.92Å; W150-I248 HydrophobicContact CG-CD1 4.18Å; V231-I248 HydrophobicContact CB-CD1 4.32Å; V231-I248 HydrophobicContact CG1-CD1 3.55Å; V231-I248 HydrophobicContact CG2-CD1 3.9Å; I248-V251 PolarHBondContact O-N 2.9Å; I248-M252 HydrophobicContact CD1-CG 4.43Å; I248-M252 HydrophobicContact CG1-CG 4.43Å; I248-M252 HydrophobicContact CG1-SD 3.99Å; I248-M252 WeakPolarHBondContact O-CB 3.24Å; I248-M252 WeakPolarHBondContact O-CG 3.21Å; I248-M252 PolarHBondContact O-N 3.4Å |
| 249 | L | 94.4 | Very high | 89 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.5 | -39.3 | -179.9 | -68.4 | -176.8 | 0 | 0 | 0 | 111.7 | V134 V138 R161 V162 L165 D247 V251 M252 Y253 | V134-L249 HydrophobicContact CG1-CD1 3.61Å; V134-L249 HydrophobicContact CG1-CD2 3.9Å; V134-L249 HydrophobicContact CG1-CG 4.41Å; V138-L249 HydrophobicContact CG2-CD1 3.86Å; V138-L249 HydrophobicContact CG2-CD2 3.41Å; V138-L249 VanDerWaalsContact CG2-CD2 3.41Å; V138-L249 HydrophobicContact CG2-CG 3.56Å; R161-L249 HydrophobicContact CB-CD1 4.28Å; R161-L249 HydrophobicContact CG-CB 3.87Å; R161-L249 HydrophobicContact CG-CD1 4.08Å; V162-L249 HydrophobicContact CG2-CD1 3.92Å; L165-L249 HydrophobicContact CD2-CB 4.13Å; L165-L249 HydrophobicContact CD2-CD1 4.46Å; L165-L249 HydrophobicContact CD2-CD2 3.86Å; L165-L249 HydrophobicContact CD2-CG 4.38Å; D247-L249 PolarHBondContact O-N 3.18Å; D247-L249 PolarHBondContact OD1-N 3.03Å; L249-V251 VanDerWaalsContact C-N 3.34Å; L249-M252 HydrophobicContact CD2-SD 4.34Å; L249-M252 PolarHBondContact O-N 3.49Å; L249-Y253 VanDerWaalsContact O-CB 3.3Å; L249-Y253 WeakPolarHBondContact O-CB 3.45Å; L249-Y253 PolarHBondContact O-N 3.41Å |
| 250 | S | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 175.4 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | R161 D247 Y253 I254 I329 | R161-S250 PolarHBondContact NE-OG 3.28Å; D247-S250 WeakPolarHBondContact O-CB 3.46Å; D247-S250 PolarHBondContact O-N 3.45Å; D247-S250 VanDerWaalsContact O-N 3.16Å; D247-S250 VanDerWaalsContact OD1-CB 3.29Å; D247-S250 WeakPolarHBondContact OD1-CB 3.37Å; D247-S250 PolarHBondContact OD1-N 2.85Å; D247-S250 PolarHBondContact OD1-OG 3.25Å; S250-Y253 PolarHBondContact O-N 3.44Å; S250-I254 VanDerWaalsContact O-CG1 3.29Å; S250-I254 WeakPolarHBondContact O-CG1 3.47Å; S250-I254 PolarHBondContact O-N 3.18Å; S250-I329 VanDerWaalsContact OG-CG2 3.3Å; S250-I329 WeakPolarHBondContact OG-CG2 3.39Å |
| 251 | V | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -52.3 | 175.1 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | W150 P232 L246 D247 I248 L249 Y253 I254 N255 | W150-V251 HydrophobicContact CD2-CB 4.49Å; W150-V251 HydrophobicContact CD2-CG1 4.35Å; W150-V251 HydrophobicContact CD2-CG2 3.73Å; W150-V251 HydrophobicContact CE3-CG2 3.56Å; W150-V251 HydrophobicContact CH2-CG1 4.48Å; W150-V251 HydrophobicContact CH2-CG2 3.67Å; W150-V251 HydrophobicContact CZ2-CG1 3.87Å; W150-V251 HydrophobicContact CZ2-CG2 3.83Å; W150-V251 HydrophobicContact CZ3-CG2 3.53Å; P232-V251 VanDerWaalsContact CD-CG1 3.43Å; P232-V251 HydrophobicContact CG-CG1 3.37Å; L246-V251 HydrophobicContact CB-CG2 3.82Å; L246-V251 HydrophobicContact CD1-CG2 4.34Å; D247-V251 WeakPolarHBondContact O-CG2 3.43Å; D247-V251 PolarHBondContact O-N 3.12Å; I248-V251 PolarHBondContact O-N 2.9Å; L249-V251 VanDerWaalsContact C-N 3.34Å; V251-Y253 VanDerWaalsContact C-N 3.26Å; V251-Y253 PolarHBondContact O-N 3.25Å; V251-I254 PolarHBondContact O-N 3.04Å; V251-N255 WeakPolarHBondContact O-CB 3.4Å; V251-N255 PolarHBondContact O-N 2.8Å |
| 252 | M | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 178.9 | -71.4 | 166.2 | 75 | 0 | 0 | 111.8 | V137 L141 F209 L230 V231 I248 L249 A256 | V137-M252 HydrophobicContact CG1-CE 3.77Å; V137-M252 HydrophobicContact CG1-SD 4.39Å; L141-M252 HydrophobicContact CD1-SD 4.36Å; F209-M252 HydrophobicContact CD1-CE 4.08Å; F209-M252 HydrophobicContact CE1-CE 3.32Å; F209-M252 HydrophobicContact CZ-CE 3.87Å; L230-M252 HydrophobicContact CD1-CE 3.68Å; L230-M252 HydrophobicContact CD1-CG 4.42Å; L230-M252 HydrophobicContact CD2-CE 3.73Å; L230-M252 HydrophobicContact CG-CE 3.64Å; L230-M252 HydrophobicContact CG-CG 4.37Å; V231-M252 HydrophobicContact CG2-CG 4.13Å; V231-M252 HydrophobicContact CG2-SD 4.36Å; I248-M252 HydrophobicContact CD1-CG 4.43Å; I248-M252 HydrophobicContact CG1-CG 4.43Å; I248-M252 HydrophobicContact CG1-SD 3.99Å; I248-M252 WeakPolarHBondContact O-CB 3.24Å; I248-M252 WeakPolarHBondContact O-CG 3.21Å; I248-M252 PolarHBondContact O-N 3.4Å; L249-M252 HydrophobicContact CD2-SD 4.34Å; L249-M252 PolarHBondContact O-N 3.49Å; M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 2.69Å; M252-A256 VanDerWaalsContact O-N 3.1Å |
| 253 | Y | 95.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -48 | 178.9 | -178.2 | -105.9 | 0 | 0 | 0 | 112.3 | L165 Q168 L249 S250 V251 H257 I329 M333 A334 V335 | L165-Y253 HydrophobicContact CD1-CD2 3.75Å; L165-Y253 HydrophobicContact CD1-CE2 4.46Å; L165-Y253 HydrophobicContact CD1-CG 4.35Å; Q168-Y253 HydrophobicContact CG-CE2 3.82Å; L249-Y253 VanDerWaalsContact O-CB 3.3Å; L249-Y253 WeakPolarHBondContact O-CB 3.45Å; L249-Y253 PolarHBondContact O-N 3.41Å; S250-Y253 PolarHBondContact O-N 3.44Å; V251-Y253 VanDerWaalsContact C-N 3.26Å; V251-Y253 PolarHBondContact O-N 3.25Å; Y253-H257 AromaticContact CE2-CE1 3.86Å; Y253-H257 AromaticContact CZ-CE1 3.98Å; Y253-H257 PolarHBondContact O-CE1 3.42Å; Y253-H257 PolarHBondContact O-ND1 3.45Å; Y253-I329 HydrophobicContact CD1-CD1 3.97Å; Y253-M333 HydrophobicContact CD1-CB 4.21Å; Y253-M333 HydrophobicContact CD1-CG 4.09Å; Y253-M333 HydrophobicContact CD1-SD 4.05Å; Y253-M333 HydrophobicContact CD2-SD 4.23Å; Y253-M333 HydrophobicContact CE1-CB 3.76Å; Y253-M333 HydrophobicContact CE1-CG 4.14Å; Y253-M333 HydrophobicContact CE2-CB 4.38Å; Y253-M333 HydrophobicContact CG-SD 3.89Å; Y253-A334 VanDerWaalsContact OH-CA 3.3Å; Y253-A334 WeakPolarHBondContact OH-CA 3.22Å; Y253-A334 PolarHBondContact OH-N 3.08Å; Y253-V335 HydrophobicContact CE1-CG2 3.9Å |
| 254 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.8 | -45.8 | 177.9 | -62.2 | 162.4 | 0 | 0 | 0 | 110.2 | L246 S250 V251 A256 H257 L258 W266 V293 F327 I329 | L246-I254 HydrophobicContact CD1-CD1 4.34Å; L246-I254 HydrophobicContact CD2-CD1 3.86Å; S250-I254 VanDerWaalsContact O-CG1 3.29Å; S250-I254 WeakPolarHBondContact O-CG1 3.47Å; S250-I254 PolarHBondContact O-N 3.18Å; V251-I254 PolarHBondContact O-N 3.04Å; I254-A256 PolarHBondContact O-N 3.11Å; I254-H257 PolarHBondContact O-N 3.09Å; I254-L258 PolarHBondContact O-N 3.28Å; I254-W266 HydrophobicContact CB-CH2 4Å; I254-W266 HydrophobicContact CB-CZ2 4.38Å; I254-W266 HydrophobicContact CD1-CH2 4.38Å; I254-W266 HydrophobicContact CG2-CH2 3.71Å; I254-W266 HydrophobicContact CG2-CZ2 4.02Å; I254-V293 HydrophobicContact CG2-CG1 4.29Å; I254-V293 HydrophobicContact CG2-CG2 4.17Å; I254-F327 HydrophobicContact CD1-CD2 4.12Å; I254-F327 HydrophobicContact CD1-CE1 4.38Å; I254-F327 HydrophobicContact CD1-CE2 3.6Å; I254-F327 HydrophobicContact CD1-CZ 3.75Å; I254-F327 HydrophobicContact CG1-CD2 4.22Å; I254-F327 HydrophobicContact CG1-CE2 4.19Å; I254-F327 HydrophobicContact CG1-CG 4.46Å; I254-F327 HydrophobicContact CG1-CZ 4.39Å; I254-F327 HydrophobicContact CG2-CE1 4.46Å; I254-I329 HydrophobicContact CD1-CD1 3.96Å; I254-I329 HydrophobicContact CD1-CG1 4.31Å; I254-I329 HydrophobicContact CG1-CD1 3.91Å |
| 255 | N | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.1 | -34.2 | -177 | -159 | 51.7 | 0 | 0 | 0 | 112.1 | T229 V251 H257 L258 R263 W266 | T229-N255 PolarHBondContact O-ND2 3.47Å; V251-N255 WeakPolarHBondContact O-CB 3.4Å; V251-N255 PolarHBondContact O-N 2.8Å; N255-H257 PolarHBondContact O-N 3.22Å; N255-L258 PolarHBondContact O-N 2.92Å; N255-R263 PolarHBondContact ND2-O 2.79Å; N255-R263 VanDerWaalsContact O-CD 3.27Å; N255-R263 WeakPolarHBondContact O-CD 3.23Å; N255-R263 WeakPolarHBondContact O-CG 3.43Å; N255-R263 PolarHBondContact O-NE 3.25Å; N255-R263 VanDerWaalsContact OD1-CA 3.28Å; N255-R263 WeakPolarHBondContact OD1-CA 3.36Å; N255-R263 PolarHBondContact OD1-O 3.12Å; N255-W266 HydrophobicContact CB-CZ2 4.35Å; N255-W266 PolarHBondContact OD1-NE1 3.44Å; N255-W266 VanDerWaalsContact OD1-NE1 3.1Å |
| 256 | A | 95.2 | Very high | 94.4 | Very high | 24 Ų | 24 | 30.2 Ų | 30.2 | 20% | 0.198 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H205 M252 I254 R263 | H205-A256 WeakPolarHBondContact NE2-CB 3.39Å; M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 2.69Å; M252-A256 VanDerWaalsContact O-N 3.1Å; I254-A256 PolarHBondContact O-N 3.11Å; A256-R263 VanDerWaalsContact O-CZ 3.28Å; A256-R263 PolarHBondContact O-NH1 2.98Å; A256-R263 PolarHBondContact O-NH2 2.96Å |
| 257 | H | 95.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 32 Ų | 32 | 35% | 0.347 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -8.4 | 178.3 | -62.4 | 85.1 | 0 | 0 | 0 | 113.2 | Y253 I254 N255 F325 V335 | Y253-H257 AromaticContact CE2-CE1 3.86Å; Y253-H257 AromaticContact CZ-CE1 3.98Å; Y253-H257 PolarHBondContact O-CE1 3.42Å; Y253-H257 PolarHBondContact O-ND1 3.45Å; I254-H257 PolarHBondContact O-N 3.09Å; N255-H257 PolarHBondContact O-N 3.22Å; H257-F325 HydrophobicContact CB-CE1 4.24Å; H257-F325 HydrophobicContact CB-CE2 4.46Å; H257-F325 HydrophobicContact CB-CZ 3.92Å; H257-V335 HydrophobicContact CB-CG1 4.49Å; H257-V335 HydrophobicContact CB-CG2 4.46Å |
| 258 | L | 96.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -74.5 | 154.8 | 174.8 | -59.5 | -177.5 | 0 | 0 | 0 | 111.4 | I254 N255 R263 W266 V293 F307 F325 V411 | I254-L258 PolarHBondContact O-N 3.28Å; N255-L258 PolarHBondContact O-N 2.92Å; L258-R263 HydrophobicContact CB-CG 4.16Å; L258-R263 PolarHBondContact O-NE 3.41Å; L258-R263 PolarHBondContact O-NH2 2.92Å; L258-W266 HydrophobicContact CD1-CZ2 3.74Å; L258-V293 HydrophobicContact CD1-CG2 4.43Å; L258-V293 HydrophobicContact CD2-CG2 4.15Å; L258-F307 HydrophobicContact CD2-CB 4.3Å; L258-F307 HydrophobicContact CD2-CD1 4.15Å; L258-F307 HydrophobicContact CD2-CD2 3.41Å; L258-F307 VanDerWaalsContact CD2-CD2 3.41Å; L258-F307 HydrophobicContact CD2-CE1 4.37Å; L258-F307 HydrophobicContact CD2-CE2 3.69Å; L258-F307 HydrophobicContact CD2-CG 3.67Å; L258-F307 HydrophobicContact CD2-CZ 4.16Å; L258-F325 HydrophobicContact CD2-CE1 4.11Å; L258-F325 HydrophobicContact CD2-CZ 3.93Å; L258-V411 HydrophobicContact CD1-CB 4.09Å; L258-V411 HydrophobicContact CD1-CG1 3.93Å; L258-V411 HydrophobicContact CD1-CG2 4.18Å |
| 259 | P | 93.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 20% | 0.201 | 15% | 0.145 | C | C | . | . | trans | -50 | 141 | 164.1 | -26.6 | 34.4 | 0 | 0 | 0 | 111.9 | E261 Q262 R263 | P259-E261 VanDerWaalsContact C-N 3.3Å; P259-E261 PolarHBondContact O-N 3.16Å; P259-Q262 HydrophobicContact CB-CG 4.29Å; P259-Q262 VanDerWaalsContact CD-OE1 3.25Å; P259-Q262 WeakPolarHBondContact O-CB 3.44Å; P259-Q262 PolarHBondContact O-N 3.39Å; P259-R263 WeakPolarHBondContact O-CG 3.48Å | ||
| 260 | R | 90.8 | Very high | 94.8 | Very high | 185 Ų | 185 | 31.9 Ų | 31.9 | 70% | 0.698 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -56.9 | -43.2 | -170.3 | -174.5 | 179.5 | 178.5 | -173.2 | -1.4 | 112.7 | Q262 R263 | R260-Q262 PolarHBondContact O-N 3.14Å; R260-Q262 VanDerWaalsContact O-N 3.14Å; R260-R263 WeakPolarHBondContact O-CB 3.25Å; R260-R263 PolarHBondContact O-N 2.74Å |
| 261 | E | 90.9 | Very high | 94.8 | Very high | 143 Ų | 143 | 32 Ų | 32 | 67% | 0.668 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | -63.6 | -7.5 | 175.9 | 30.4 | -82.5 | -169.6 | 0 | 0 | 114.9 | P259 H264 | P259-E261 VanDerWaalsContact C-N 3.3Å; P259-E261 PolarHBondContact O-N 3.16Å; E261-H264 PolarHBondContact O-CE1 2.67Å; E261-H264 PolarHBondContact O-ND1 3.32Å |
| 262 | Q | 93.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -109.4 | 2.2 | 178.6 | -63.7 | 171.1 | 0.7 | 0 | 0 | 113 | P259 R260 P291 V411 G412 | P259-Q262 HydrophobicContact CB-CG 4.29Å; P259-Q262 VanDerWaalsContact CD-OE1 3.25Å; P259-Q262 WeakPolarHBondContact O-CB 3.44Å; P259-Q262 PolarHBondContact O-N 3.39Å; R260-Q262 PolarHBondContact O-N 3.14Å; R260-Q262 VanDerWaalsContact O-N 3.14Å; Q262-P291 HydrophobicContact CG-CG 4.34Å; Q262-V411 HydrophobicContact CB-CB 4.43Å; Q262-V411 HydrophobicContact CB-CG2 4.06Å; Q262-G412 PolarHBondContact O-N 2.79Å |
| 263 | R | 94.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -87.4 | -8 | -169.3 | -67.7 | -173.9 | -167.6 | -165.7 | -4.7 | 115.5 | P232 N255 A256 L258 P259 R260 | P232-R263 WeakPolarHBondContact CB-O 3.48Å; N255-R263 PolarHBondContact ND2-O 2.79Å; N255-R263 VanDerWaalsContact O-CD 3.27Å; N255-R263 WeakPolarHBondContact O-CD 3.23Å; N255-R263 WeakPolarHBondContact O-CG 3.43Å; N255-R263 PolarHBondContact O-NE 3.25Å; N255-R263 VanDerWaalsContact OD1-CA 3.28Å; N255-R263 WeakPolarHBondContact OD1-CA 3.36Å; N255-R263 PolarHBondContact OD1-O 3.12Å; A256-R263 VanDerWaalsContact O-CZ 3.28Å; A256-R263 PolarHBondContact O-NH1 2.98Å; A256-R263 PolarHBondContact O-NH2 2.96Å; L258-R263 HydrophobicContact CB-CG 4.16Å; L258-R263 PolarHBondContact O-NE 3.41Å; L258-R263 PolarHBondContact O-NH2 2.92Å; P259-R263 WeakPolarHBondContact O-CG 3.48Å; R260-R263 WeakPolarHBondContact O-CB 3.25Å; R260-R263 PolarHBondContact O-N 2.74Å |
| 264 | H | 93.6 | Very high | 94.5 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -90.4 | -26 | -166.6 | 59.6 | -75.5 | 0 | 0 | 0 | 114.5 | R148 T228 P232 E233 E261 D413 | R148-H264 PolarHBondContact NH1-O 3.22Å; T228-H264 WeakPolarHBondContact O-CA 3.47Å; P232-H264 WeakPolarHBondContact CA-O 3.48Å; E233-H264 PolarHBondContact N-O 3.28Å; E261-H264 PolarHBondContact O-CE1 2.67Å; E261-H264 PolarHBondContact O-ND1 3.32Å; H264-D413 IonicContact CD2-OD1 3.09Å; H264-D413 IonicContact CE1-OD1 2.89Å; H264-D413 IonicContact CE1-OD2 3.38Å; H264-D413 PolarHBondContact CE1-OD2 3.03Å; H264-D413 IonicContact NE2-OD1 3.3Å; H264-D413 PolarHBondContact NE2-OD1 2.91Å; H264-D413 IonicContact NE2-OD2 3.03Å; H264-D413 PolarHBondContact NE2-OD2 3.48Å |
| 265 | C | 94 | Very high | 94.3 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 137 | -174.2 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | E233 Q235 G412 | E233-C265 HydrophobicContact CB-CB 4.49Å; Q235-C265 PolarHBondContact NE2-SG 2.81Å; Q235-C265 VanDerWaalsContact NE2-SG 3.39Å; C265-G412 PolarHBondContact O-N 3.32Å |
| 266 | W | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121 | 175.6 | -77.5 | 40.1 | 0 | 0 | 0 | 109.2 | W150 P232 E233 Q235 L246 I254 N255 L258 V293 W409 A410 V411 | W150-W266 HydrophobicContact CH2-CB 4.39Å; W150-W266 HydrophobicContact CH2-CD2 4.4Å; W150-W266 AromaticContact CH2-CE3 3.8Å; W150-W266 HydrophobicContact CH2-CE3 3.8Å; W150-W266 HydrophobicContact CH2-CZ3 4.45Å; W150-W266 HydrophobicContact CZ2-CB 3.83Å; W150-W266 HydrophobicContact CZ2-CD2 4.12Å; W150-W266 AromaticContact CZ2-CE3 3.99Å; W150-W266 HydrophobicContact CZ2-CE3 3.99Å; W150-W266 HydrophobicContact CZ2-CG 4.11Å; P232-W266 HydrophobicContact CB-CB 4.44Å; P232-W266 HydrophobicContact CB-CG 3.95Å; P232-W266 VanDerWaalsContact CG-CD1 3.47Å; P232-W266 HydrophobicContact CG-CD2 4.24Å; P232-W266 HydrophobicContact CG-CG 3.87Å; E233-W266 PolarHBondContact O-N 2.86Å; Q235-W266 PolarHBondContact N-O 3.31Å; L246-W266 HydrophobicContact CD1-CH2 4.36Å; L246-W266 HydrophobicContact CD1-CZ3 3.63Å; I254-W266 HydrophobicContact CB-CH2 4Å; I254-W266 HydrophobicContact CB-CZ2 4.38Å; I254-W266 HydrophobicContact CD1-CH2 4.38Å; I254-W266 HydrophobicContact CG2-CH2 3.71Å; I254-W266 HydrophobicContact CG2-CZ2 4.02Å; N255-W266 HydrophobicContact CB-CZ2 4.35Å; N255-W266 PolarHBondContact OD1-NE1 3.44Å; N255-W266 VanDerWaalsContact OD1-NE1 3.1Å; L258-W266 HydrophobicContact CD1-CZ2 3.74Å; W266-V293 HydrophobicContact CH2-CB 4.09Å; W266-V293 HydrophobicContact CH2-CG1 3.89Å; W266-V293 HydrophobicContact CH2-CG2 3.84Å; W266-V293 HydrophobicContact CZ2-CG2 4.09Å; W266-V293 HydrophobicContact CZ3-CB 4.05Å; W266-V293 HydrophobicContact CZ3-CG1 3.9Å; W266-V293 HydrophobicContact CZ3-CG2 4.26Å; W266-W409 HydrophobicContact CB-CE3 4.24Å; W266-W409 HydrophobicContact CD2-CB 4.47Å; W266-W409 HydrophobicContact CE3-CB 3.74Å; W266-W409 HydrophobicContact CE3-CD2 4.23Å; W266-W409 AromaticContact CE3-CG 3.81Å; W266-W409 HydrophobicContact CE3-CG 3.81Å; W266-W409 HydrophobicContact CZ3-CB 4.34Å; W266-W409 HydrophobicContact CZ3-CG 4.3Å; W266-A410 CarbonylContact C-O 3.56Å; W266-A410 WeakPolarHBondContact CA-O 3.42Å; W266-V411 HydrophobicContact CD2-CG1 3.8Å; W266-V411 HydrophobicContact CE3-CG1 4.46Å; W266-V411 HydrophobicContact CG-CG1 3.91Å; W266-V411 HydrophobicContact CZ2-CG1 4.26Å |
| 267 | R | 94.6 | Very high | 94.1 | Very high | 39 Ų | 39 | 46.6 Ų | 46.6 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.8 | -175.6 | -51.1 | -176.8 | -71 | 143.7 | 2.6 | 110 | Q235 L269 W409 A410 | Q235-R267 HydrophobicContact CB-CB 4.35Å; Q235-R267 HydrophobicContact CB-CG 3.99Å; Q235-R267 HydrophobicContact CG-CG 4.43Å; Q235-R267 WeakPolarHBondContact O-CA 3.24Å; Q235-R267 VanDerWaalsContact OE1-CD 3.29Å; R267-L269 PolarHBondContact O-N 2.99Å; R267-W409 CarbonylContact O-C 3.34Å; R267-W409 WeakPolarHBondContact O-CA 3.29Å; R267-A410 HydrophobicContact CB-CB 4.37Å; R267-A410 PolarHBondContact N-O 2.96Å; R267-A410 PolarHBondContact O-N 2.94Å |
| 268 | L | 95.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 117.7 | 179.8 | -172.7 | 65.6 | 0 | 0 | 0 | 109.9 | Q235 V236 F242 F270 L274 E407 W409 | Q235-L268 PolarHBondContact O-N 3Å; V236-L268 HydrophobicContact CG1-CD2 4.04Å; V236-L268 HydrophobicContact CG2-CB 4.26Å; V236-L268 HydrophobicContact CG2-CD2 4.43Å; F242-L268 HydrophobicContact CD1-CD2 3.68Å; F242-L268 HydrophobicContact CE1-CD1 4.09Å; F242-L268 HydrophobicContact CE1-CD2 3.58Å; F242-L268 HydrophobicContact CE1-CG 4.49Å; F242-L268 HydrophobicContact CG-CD2 4.47Å; F242-L268 HydrophobicContact CZ-CD2 4.28Å; L268-F270 VanDerWaalsContact CD1-O 3.24Å; L268-F270 WeakPolarHBondContact CD1-O 3.46Å; L268-L274 HydrophobicContact CD2-CD1 3.69Å; L268-E407 HydrophobicContact CD1-CB 4.43Å; L268-W409 HydrophobicContact CB-CE3 3.87Å; L268-W409 HydrophobicContact CB-CH2 4.03Å; L268-W409 HydrophobicContact CB-CZ3 3.59Å; L268-W409 HydrophobicContact CD1-CD2 3.91Å; L268-W409 HydrophobicContact CD1-CE3 4.09Å; L268-W409 HydrophobicContact CD1-CH2 3.87Å; L268-W409 HydrophobicContact CD1-CZ2 3.7Å; L268-W409 HydrophobicContact CD1-CZ3 4.07Å; L268-W409 HydrophobicContact CG-CH2 4.39Å; L268-W409 HydrophobicContact CG-CZ3 4.38Å |
| 269 | L | 95.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -45.5 | 173.6 | -60.8 | -175.5 | 0 | 0 | 0 | 111.1 | R267 H285 I286 R289 C292 V408 A410 | R267-L269 PolarHBondContact O-N 2.99Å; L269-H285 WeakPolarHBondContact O-CB 3.2Å; L269-H285 PolarHBondContact O-ND1 3.44Å; L269-I286 HydrophobicContact CB-CG2 4.36Å; L269-I286 HydrophobicContact CD1-CG2 4.46Å; L269-R289 HydrophobicContact CD1-CB 3.74Å; L269-R289 HydrophobicContact CD2-CB 3.94Å; L269-C292 VanDerWaalsContact CD1-SG 3.54Å; L269-V408 WeakPolarHBondContact CA-O 3.49Å; L269-V408 WeakPolarHBondContact CB-O 3.31Å; L269-V408 HydrophobicContact CD1-CG1 4.35Å; L269-V408 PolarHBondContact N-O 3.35Å; L269-A410 HydrophobicContact CD1-CB 3.9Å; L269-A410 HydrophobicContact CD2-CB 3.8Å; L269-A410 HydrophobicContact CG-CB 3.81Å |
| 270 | F | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 144.7 | -175.3 | 178.6 | -93.9 | 0 | 0 | 0 | 110.2 | L268 H275 G276 Q281 L282 H285 I286 F376 E407 V408 | L268-F270 VanDerWaalsContact CD1-O 3.24Å; L268-F270 WeakPolarHBondContact CD1-O 3.46Å; F270-H275 HydrophobicContact CD2-CB 3.89Å; F270-H275 HydrophobicContact CE2-CB 3.77Å; F270-G276 WeakPolarHBondContact CZ-O 3.3Å; F270-Q281 HydrophobicContact CE2-CB 4.29Å; F270-L282 HydrophobicContact CB-CD1 4.15Å; F270-L282 HydrophobicContact CD1-CD1 3.51Å; F270-L282 HydrophobicContact CD2-CB 4.35Å; F270-L282 HydrophobicContact CD2-CD1 4.27Å; F270-L282 HydrophobicContact CE1-CB 4.41Å; F270-L282 HydrophobicContact CE1-CD1 3.91Å; F270-L282 HydrophobicContact CE2-CB 4.11Å; F270-L282 HydrophobicContact CG-CD1 3.7Å; F270-L282 HydrophobicContact CZ-CB 4.14Å; F270-L282 HydrophobicContact CZ-CD1 4.44Å; F270-H285 HydrophobicContact CB-CB 4Å; F270-H285 HydrophobicContact CD2-CB 4.16Å; F270-I286 HydrophobicContact CB-CG2 4.16Å; F270-F376 HydrophobicContact CE1-CE2 4.02Å; F270-F376 AromaticContact CE1-CZ 3.79Å; F270-F376 HydrophobicContact CE1-CZ 3.79Å; F270-F376 AromaticContact CZ-CE2 3.96Å; F270-F376 HydrophobicContact CZ-CE2 3.96Å; F270-F376 AromaticContact CZ-CZ 3.81Å; F270-F376 HydrophobicContact CZ-CZ 3.81Å; F270-E407 CarbonylContact O-C 3.56Å; F270-E407 VanDerWaalsContact O-CA 3.29Å; F270-E407 WeakPolarHBondContact O-CA 3.38Å; F270-V408 HydrophobicContact CB-CB 4.2Å; F270-V408 HydrophobicContact CB-CG2 4.38Å; F270-V408 PolarHBondContact N-O 2.84Å; F270-V408 PolarHBondContact O-N 2.96Å |
| 271 | S | 95.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 127.2 | 170.6 | 161.3 | 0 | 0 | 0 | 0 | 106.4 | F242 E273 L274 H275 M406 | F242-S271 WeakPolarHBondContact CE2-OG 3.44Å; F242-S271 WeakPolarHBondContact CZ-OG 3.24Å; S271-E273 PolarHBondContact O-N 2.82Å; S271-E273 PolarHBondContact OG-N 3.11Å; S271-L274 PolarHBondContact O-N 2.88Å; S271-L274 VanDerWaalsContact O-N 3.14Å; S271-H275 PolarHBondContact N-ND1 3.49Å; S271-H275 WeakPolarHBondContact O-CB 3.3Å; S271-H275 PolarHBondContact O-N 3.4Å; S271-H275 PolarHBondContact O-ND1 3.41Å; S271-M406 CarbonylContact C-O 3.42Å; S271-M406 VanDerWaalsContact CA-O 3.31Å; S271-M406 WeakPolarHBondContact CA-O 3.31Å |
| 272 | S | 95.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -28.4 | 178.2 | 53 | 0 | 0 | 0 | 0 | 112.5 | G276 D404 K405 M406 | S272-G276 WeakPolarHBondContact CA-O 3.24Å; S272-G276 CarbonylContact O-C 3.55Å; S272-G276 VanDerWaalsContact O-CA 3.23Å; S272-G276 WeakPolarHBondContact O-CA 3.33Å; S272-G276 PolarHBondContact O-N 3.31Å; S272-D404 WeakPolarHBondContact CB-O 3.29Å; S272-D404 PolarHBondContact OG-O 2.96Å; S272-K405 WeakPolarHBondContact OG-CA 3.35Å; S272-M406 PolarHBondContact N-O 3.18Å; S272-M406 PolarHBondContact OG-N 2.87Å |
| 273 | E | 92.6 | Very high | 94.9 | Very high | 112 Ų | 112 | 35.2 Ų | 35.2 | 52% | 0.523 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 175.4 | -172.8 | 177.2 | 134.1 | 0 | 0 | 112.3 | F242 S271 | F242-E273 HydrophobicContact CE2-CB 4.33Å; S271-E273 PolarHBondContact O-N 2.82Å; S271-E273 PolarHBondContact OG-N 3.11Å |
| 274 | L | 92.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 18% | 0.183 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -92.4 | -33.6 | -176.9 | -63.5 | -179.2 | 0 | 0 | 0 | 113.6 | R240 F242 L268 S271 | R240-L274 HydrophobicContact CB-CD2 4.2Å; F242-L274 HydrophobicContact CB-CD1 3.97Å; F242-L274 HydrophobicContact CB-CD2 4.24Å; F242-L274 HydrophobicContact CB-CG 4.38Å; F242-L274 HydrophobicContact CD1-CD1 4.31Å; F242-L274 HydrophobicContact CD2-CD1 4.07Å; F242-L274 HydrophobicContact CD2-CD2 4.39Å; F242-L274 HydrophobicContact CD2-CG 3.98Å; F242-L274 HydrophobicContact CG-CD1 3.84Å; F242-L274 HydrophobicContact CG-CG 4.22Å; L268-L274 HydrophobicContact CD2-CD1 3.69Å; S271-L274 PolarHBondContact O-N 2.88Å; S271-L274 VanDerWaalsContact O-N 3.14Å |
| 275 | H | 93.3 | Very high | 95 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -115.9 | -2 | -168.1 | -51.6 | 97.5 | 0 | 0 | 0 | 113.3 | F270 S271 H285 | F270-H275 HydrophobicContact CD2-CB 3.89Å; F270-H275 HydrophobicContact CE2-CB 3.77Å; S271-H275 PolarHBondContact N-ND1 3.49Å; S271-H275 WeakPolarHBondContact O-CB 3.3Å; S271-H275 PolarHBondContact O-N 3.4Å; S271-H275 PolarHBondContact O-ND1 3.41Å; H275-H285 AromaticContact CD2-CE1 3.22Å; H275-H285 PolarHBondContact CD2-CE1 3.05Å; H275-H285 AromaticContact CD2-ND1 3.93Å; H275-H285 AromaticContact CD2-NE2 3.53Å; H275-H285 AromaticContact NE2-CE1 3.5Å; H275-H285 PolarHBondContact NE2-CE1 3Å; H275-H285 AromaticContact NE2-ND1 3.97Å |
| 276 | G | 93 | Very high | 95.1 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | trans | 84.9 | -177.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F270 S272 | F270-G276 WeakPolarHBondContact CZ-O 3.3Å; S272-G276 WeakPolarHBondContact CA-O 3.24Å; S272-G276 CarbonylContact O-C 3.55Å; S272-G276 VanDerWaalsContact O-CA 3.23Å; S272-G276 WeakPolarHBondContact O-CA 3.33Å; S272-G276 PolarHBondContact O-N 3.31Å | ||
| 277 | H | 94.8 | Very high | 95 | Very high | 109 Ų | 109 | 36.2 Ų | 36.2 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -106.5 | 57.3 | -170.4 | -59.9 | -98.5 | 0 | 0 | 0 | 111.8 | F376 D404 | H277-F376 HydrophobicContact CB-CD1 3.72Å; H277-F376 HydrophobicContact CB-CE1 3.96Å; H277-F376 AromaticContact ND1-CE1 3.87Å; H277-D404 PolarHBondContact CE1-O 2.97Å; H277-D404 PolarHBondContact ND1-O 2.86Å |
| 278 | S | 95.8 | Very high | 95 | Very high | 47 Ų | 47 | 38 Ų | 38 | 33% | 0.329 | 22% | 0.22 | S | C | . | . | trans | -126.5 | 129.3 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | S280 Q281 L282 | S278-S280 VanDerWaalsContact C-N 3.28Å; S278-S280 PolarHBondContact O-N 3.23Å; S278-S280 PolarHBondContact OG-N 2.97Å; S278-Q281 WeakPolarHBondContact O-CB 3.46Å; S278-Q281 PolarHBondContact O-N 3.18Å; S278-L282 PolarHBondContact O-N 2.75Å | ||
| 279 | F | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -34.5 | 175.3 | -171.3 | -96.9 | 0 | 0 | 0 | 112.4 | Q281 L282 C283 L348 H350 L359 V372 V374 F376 | F279-Q281 VanDerWaalsContact C-N 3.33Å; F279-Q281 PolarHBondContact O-N 3.22Å; F279-L282 HydrophobicContact CD2-CD2 4.04Å; F279-L282 HydrophobicContact CE2-CD2 4.09Å; F279-L282 WeakPolarHBondContact O-CB 3.5Å; F279-L282 PolarHBondContact O-N 2.84Å; F279-C283 WeakPolarHBondContact CE1-SG 3.16Å; F279-C283 PolarHBondContact O-N 2.98Å; F279-C283 PolarHBondContact O-SG 2.95Å; F279-C283 VanDerWaalsContact O-SG 3.38Å; F279-L348 HydrophobicContact CE1-CD1 4.32Å; F279-L348 HydrophobicContact CE2-CD1 4.45Å; F279-L348 HydrophobicContact CZ-CD1 3.62Å; F279-H350 AromaticContact CD1-CD2 3.92Å; F279-H350 HydrophobicContact CE1-CB 4.29Å; F279-L359 HydrophobicContact CE2-CB 4.11Å; F279-L359 HydrophobicContact CZ-CB 4.44Å; F279-V372 HydrophobicContact CD2-CG1 4.45Å; F279-V374 HydrophobicContact CB-CG2 4.49Å; F279-V374 WeakPolarHBondContact CB-O 3.46Å; F279-V374 HydrophobicContact CD1-CB 4.37Å; F279-V374 HydrophobicContact CD1-CG2 3.89Å; F279-V374 HydrophobicContact CE1-CG2 4.47Å; F279-V374 HydrophobicContact CG-CG2 4.32Å; F279-F376 HydrophobicContact CB-CB 4.35Å; F279-F376 HydrophobicContact CB-CD2 4.42Å |
| 280 | S | 95.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 175.2 | -49.6 | 0 | 0 | 0 | 0 | 112.1 | S278 C283 G284 | S278-S280 VanDerWaalsContact C-N 3.28Å; S278-S280 PolarHBondContact O-N 3.23Å; S278-S280 PolarHBondContact OG-N 2.97Å; S280-C283 PolarHBondContact O-N 3.04Å; S280-G284 PolarHBondContact O-N 3.18Å |
| 281 | Q | 95.5 | Very high | 94.5 | Very high | 96 Ų | 96 | 42.7 Ų | 42.7 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 172 | -71.8 | -68.8 | -33.6 | 0 | 0 | 111 | F270 S278 F279 C283 G284 H285 | F270-Q281 HydrophobicContact CE2-CB 4.29Å; S278-Q281 WeakPolarHBondContact O-CB 3.46Å; S278-Q281 PolarHBondContact O-N 3.18Å; F279-Q281 VanDerWaalsContact C-N 3.33Å; F279-Q281 PolarHBondContact O-N 3.22Å; Q281-C283 PolarHBondContact O-N 3.4Å; Q281-G284 PolarHBondContact O-N 3.18Å; Q281-H285 PolarHBondContact O-CD2 3.01Å; Q281-H285 VanDerWaalsContact O-CD2 3.23Å; Q281-H285 PolarHBondContact O-N 2.84Å |
| 282 | L | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.4 | -53.2 | 174.2 | 173 | 68.1 | 0 | 0 | 0 | 111.1 | F270 S278 F279 G284 H285 I286 L359 F376 M406 V408 | F270-L282 HydrophobicContact CB-CD1 4.15Å; F270-L282 HydrophobicContact CD1-CD1 3.51Å; F270-L282 HydrophobicContact CD2-CB 4.35Å; F270-L282 HydrophobicContact CD2-CD1 4.27Å; F270-L282 HydrophobicContact CE1-CB 4.41Å; F270-L282 HydrophobicContact CE1-CD1 3.91Å; F270-L282 HydrophobicContact CE2-CB 4.11Å; F270-L282 HydrophobicContact CG-CD1 3.7Å; F270-L282 HydrophobicContact CZ-CB 4.14Å; F270-L282 HydrophobicContact CZ-CD1 4.44Å; S278-L282 PolarHBondContact O-N 2.75Å; F279-L282 HydrophobicContact CD2-CD2 4.04Å; F279-L282 HydrophobicContact CE2-CD2 4.09Å; F279-L282 WeakPolarHBondContact O-CB 3.5Å; F279-L282 PolarHBondContact O-N 2.84Å; L282-G284 PolarHBondContact O-N 3.31Å; L282-H285 PolarHBondContact O-N 2.92Å; L282-I286 HydrophobicContact CD1-CD1 4.05Å; L282-I286 HydrophobicContact CD1-CG2 3.89Å; L282-I286 HydrophobicContact CG-CD1 4.03Å; L282-I286 WeakPolarHBondContact O-CG1 3.36Å; L282-I286 WeakPolarHBondContact O-CG2 3.41Å; L282-I286 PolarHBondContact O-N 2.89Å; L282-I286 VanDerWaalsContact O-N 3.13Å; L282-L359 HydrophobicContact CD2-CD1 4.43Å; L282-F376 HydrophobicContact CB-CE2 4.26Å; L282-F376 HydrophobicContact CD2-CE2 4.14Å; L282-M406 HydrophobicContact CD1-CE 4.02Å; L282-M406 HydrophobicContact CD1-SD 4.4Å; L282-M406 HydrophobicContact CD2-CE 3.94Å; L282-M406 HydrophobicContact CD2-SD 4.11Å; L282-V408 HydrophobicContact CD1-CG2 3.8Å |
| 283 | C | 96.5 | Very high | 94.7 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -49 | 177.7 | -68.3 | 0 | 0 | 0 | 0 | 112.2 | F279 S280 Q281 H285 I286 T287 | F279-C283 WeakPolarHBondContact CE1-SG 3.16Å; F279-C283 PolarHBondContact O-N 2.98Å; F279-C283 PolarHBondContact O-SG 2.95Å; F279-C283 VanDerWaalsContact O-SG 3.38Å; S280-C283 PolarHBondContact O-N 3.04Å; Q281-C283 PolarHBondContact O-N 3.4Å; C283-H285 PolarHBondContact O-N 3.3Å; C283-I286 PolarHBondContact O-N 3.48Å; C283-T287 VanDerWaalsContact O-CB 3.31Å; C283-T287 WeakPolarHBondContact O-CB 3.43Å; C283-T287 PolarHBondContact O-N 3.41Å; C283-T287 VanDerWaalsContact O-N 3.1Å; C283-T287 PolarHBondContact O-OG1 3.37Å |
| 284 | G | 95 | Very high | 95 | Very high | 64 Ų | 64 | 37.2 Ų | 37.2 | 66% | 0.66 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.2 | -31.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S280 Q281 L282 | S280-G284 PolarHBondContact O-N 3.18Å; Q281-G284 PolarHBondContact O-N 3.18Å; L282-G284 PolarHBondContact O-N 3.31Å |
| 285 | H | 95 | Very high | 95.3 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -86 | -27.1 | -178.8 | -86.3 | -94.7 | 0 | 0 | 0 | 114.9 | L269 F270 H275 Q281 L282 C283 R289 | L269-H285 WeakPolarHBondContact O-CB 3.2Å; L269-H285 PolarHBondContact O-ND1 3.44Å; F270-H285 HydrophobicContact CB-CB 4Å; F270-H285 HydrophobicContact CD2-CB 4.16Å; H275-H285 AromaticContact CD2-CE1 3.22Å; H275-H285 PolarHBondContact CD2-CE1 3.05Å; H275-H285 AromaticContact CD2-ND1 3.93Å; H275-H285 AromaticContact CD2-NE2 3.53Å; H275-H285 AromaticContact NE2-CE1 3.5Å; H275-H285 PolarHBondContact NE2-CE1 3Å; H275-H285 AromaticContact NE2-ND1 3.97Å; Q281-H285 PolarHBondContact O-CD2 3.01Å; Q281-H285 VanDerWaalsContact O-CD2 3.23Å; Q281-H285 PolarHBondContact O-N 2.84Å; L282-H285 PolarHBondContact O-N 2.92Å; C283-H285 PolarHBondContact O-N 3.3Å; H285-R289 WeakPolarHBondContact O-CD 3.39Å; H285-R289 PolarHBondContact O-NH1 3.24Å |
| 286 | I | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -107.2 | -22 | -171.1 | 73.4 | 179 | 0 | 0 | 0 | 114.4 | L269 F270 L282 C283 H288 R289 W312 L348 L359 V408 | L269-I286 HydrophobicContact CB-CG2 4.36Å; L269-I286 HydrophobicContact CD1-CG2 4.46Å; F270-I286 HydrophobicContact CB-CG2 4.16Å; L282-I286 HydrophobicContact CD1-CD1 4.05Å; L282-I286 HydrophobicContact CD1-CG2 3.89Å; L282-I286 HydrophobicContact CG-CD1 4.03Å; L282-I286 WeakPolarHBondContact O-CG1 3.36Å; L282-I286 WeakPolarHBondContact O-CG2 3.41Å; L282-I286 PolarHBondContact O-N 2.89Å; L282-I286 VanDerWaalsContact O-N 3.13Å; C283-I286 PolarHBondContact O-N 3.48Å; I286-H288 PolarHBondContact O-N 3.17Å; I286-R289 PolarHBondContact O-N 3.21Å; I286-W312 HydrophobicContact CD1-CB 4.4Å; I286-W312 HydrophobicContact CD1-CD2 4.35Å; I286-W312 HydrophobicContact CD1-CG 3.97Å; I286-W312 HydrophobicContact CG1-CB 4.23Å; I286-W312 HydrophobicContact CG1-CG 4.18Å; I286-L348 HydrophobicContact CD1-CD2 4.45Å; I286-L359 HydrophobicContact CD1-CD1 3.89Å; I286-V408 HydrophobicContact CB-CG1 4.42Å; I286-V408 HydrophobicContact CG2-CB 3.78Å; I286-V408 HydrophobicContact CG2-CG1 3.7Å; I286-V408 HydrophobicContact CG2-CG2 3.98Å |
| 287 | T | 95.2 | Very high | 95.7 | Very high | 31 Ų | 31 | 32.2 Ų | 32.2 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 132.3 | -175.3 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | C283 R289 W312 | C283-T287 VanDerWaalsContact O-CB 3.31Å; C283-T287 WeakPolarHBondContact O-CB 3.43Å; C283-T287 PolarHBondContact O-N 3.41Å; C283-T287 VanDerWaalsContact O-N 3.1Å; C283-T287 PolarHBondContact O-OG1 3.37Å; T287-R289 PolarHBondContact O-N 2.89Å; T287-W312 VanDerWaalsContact CA-O 3.3Å; T287-W312 WeakPolarHBondContact CA-O 3.41Å; T287-W312 WeakPolarHBondContact CG2-O 3.43Å |
| 288 | H | 93.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 27 Ų | 27 | 36% | 0.361 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 21 | -173.6 | -51.9 | -63.8 | 0 | 0 | 0 | 115.7 | I286 W312 Q418 | I286-H288 PolarHBondContact O-N 3.17Å; H288-W312 PolarHBondContact N-O 3.28Å; H288-Q418 WeakPolarHBondContact O-CG 3.21Å; H288-Q418 PolarHBondContact O-NE2 3.29Å |
| 289 | R | 92.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 28.8 Ų | 28.8 | 30% | 0.298 | 16% | 0.164 | S | C | . | . | trans | -120.2 | 12.8 | -176.9 | -66.3 | -174.1 | 73.7 | -160.7 | 7.3 | 115 | L269 H285 I286 T287 S311 A410 Q418 | L269-R289 HydrophobicContact CD1-CB 3.74Å; L269-R289 HydrophobicContact CD2-CB 3.94Å; H285-R289 WeakPolarHBondContact O-CD 3.39Å; H285-R289 PolarHBondContact O-NH1 3.24Å; I286-R289 PolarHBondContact O-N 3.21Å; T287-R289 PolarHBondContact O-N 2.89Å; R289-S311 PolarHBondContact N-OG 2.9Å; R289-A410 WeakPolarHBondContact O-CB 3.14Å; R289-Q418 PolarHBondContact O-NE2 2.88Å | ||
| 290 | G | 88.4 | Confident | 95.8 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | trans | -86.3 | -178.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C292 S311 Q418 | G290-C292 WeakPolarHBondContact CA-SG 3.29Å; G290-S311 PolarHBondContact N-OG 3.43Å; G290-Q418 PolarHBondContact O-NE2 3.11Å; G290-Q418 VanDerWaalsContact O-NE2 3.09Å | ||
| 291 | P | 95.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 33.8 Ų | 33.8 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | S | Bend | cis | -66.4 | 153.3 | 4.6 | 29.8 | -37 | 0 | 0 | 0 | 113.7 | Q262 F307 A308 A410 V411 | Q262-P291 HydrophobicContact CG-CG 4.34Å; P291-F307 HydrophobicContact CB-CE2 3.95Å; P291-F307 HydrophobicContact CB-CZ 4.04Å; P291-A308 WeakPolarHBondContact CA-O 3.39Å; P291-A308 WeakPolarHBondContact CB-O 3.44Å; P291-A410 WeakPolarHBondContact O-CA 3.45Å; P291-V411 HydrophobicContact CB-CG2 4.26Å; P291-V411 HydrophobicContact CG-CG2 4.01Å; P291-V411 PolarHBondContact O-N 2.95Å |
| 292 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145.1 | -170.4 | -61.6 | 0 | 0 | 0 | 0 | 114 | L269 G290 F307 A308 V408 W409 | L269-C292 VanDerWaalsContact CD1-SG 3.54Å; G290-C292 WeakPolarHBondContact CA-SG 3.29Å; C292-F307 WeakPolarHBondContact O-CA 3.33Å; C292-F307 WeakPolarHBondContact O-CD2 3.26Å; C292-A308 PolarHBondContact N-O 3.49Å; C292-A308 PolarHBondContact O-N 3.47Å; C292-V408 HydrophobicContact CB-CG1 3.77Å; C292-W409 CarbonylContact C-O 3.52Å; C292-W409 WeakPolarHBondContact CA-O 3.37Å |
| 293 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.7 | 159.7 | 173.4 | 0 | 0 | 0 | 0 | 108.3 | I254 L258 W266 F307 F327 V408 W409 V411 | I254-V293 HydrophobicContact CG2-CG1 4.29Å; I254-V293 HydrophobicContact CG2-CG2 4.17Å; L258-V293 HydrophobicContact CD1-CG2 4.43Å; L258-V293 HydrophobicContact CD2-CG2 4.15Å; W266-V293 HydrophobicContact CH2-CB 4.09Å; W266-V293 HydrophobicContact CH2-CG1 3.89Å; W266-V293 HydrophobicContact CH2-CG2 3.84Å; W266-V293 HydrophobicContact CZ2-CG2 4.09Å; W266-V293 HydrophobicContact CZ3-CB 4.05Å; W266-V293 HydrophobicContact CZ3-CG1 3.9Å; W266-V293 HydrophobicContact CZ3-CG2 4.26Å; V293-F307 HydrophobicContact CG2-CD2 3.89Å; V293-F327 HydrophobicContact CG1-CE1 3.94Å; V293-F327 HydrophobicContact CG1-CZ 3.88Å; V293-V408 WeakPolarHBondContact O-CA 3.2Å; V293-W409 HydrophobicContact CB-CB 4.5Å; V293-W409 PolarHBondContact N-O 2.55Å; V293-W409 PolarHBondContact O-N 3Å; V293-V411 HydrophobicContact CB-CG1 4.44Å; V293-V411 HydrophobicContact CG2-CG1 3.79Å |
| 294 | A | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G305 G306 M406 E407 V408 | A294-G305 CarbonylContact O-C 3.59Å; A294-G305 WeakPolarHBondContact O-CA 3.43Å; A294-G306 PolarHBondContact N-O 2.79Å; A294-G306 PolarHBondContact O-N 2.9Å; A294-M406 HydrophobicContact CB-CE 4.41Å; A294-E407 WeakPolarHBondContact CA-O 3.3Å; A294-V408 HydrophobicContact CB-CG2 4.12Å |
| 295 | V | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 143.7 | 178.8 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | I245 L246 V303 F327 M406 E407 | I245-V295 HydrophobicContact CG2-CG2 4.15Å; L246-V295 HydrophobicContact CD1-CG1 4.11Å; L246-V295 HydrophobicContact CD2-CB 4.49Å; L246-V295 HydrophobicContact CD2-CG1 4.43Å; L246-V295 HydrophobicContact CD2-CG2 3.97Å; L246-V295 HydrophobicContact CG-CG1 4.1Å; L246-V295 HydrophobicContact CG-CG2 4.48Å; V295-V303 HydrophobicContact CG2-CG1 3.73Å; V295-F327 HydrophobicContact CB-CZ 4.31Å; V295-F327 HydrophobicContact CG2-CE2 4.46Å; V295-M406 CarbonylContact O-C 3.53Å; V295-M406 WeakPolarHBondContact O-CA 3.22Å; V295-E407 HydrophobicContact CG1-CB 3.74Å; V295-E407 HydrophobicContact CG1-CG 4.45Å; V295-E407 PolarHBondContact N-O 2.77Å; V295-E407 PolarHBondContact O-N 3.12Å |
| 296 | L | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.9 | 172.9 | 67.4 | 84.3 | 0 | 0 | 0 | 111.5 | V303 F304 L370 V372 F401 F403 K405 M406 | L296-V303 WeakPolarHBondContact O-CA 3.34Å; L296-F304 HydrophobicContact CD1-CD2 4.27Å; L296-F304 HydrophobicContact CD1-CE1 3.88Å; L296-F304 HydrophobicContact CD1-CE2 3.54Å; L296-F304 HydrophobicContact CD1-CZ 3.31Å; L296-F304 HydrophobicContact CD2-CE2 4.36Å; L296-F304 HydrophobicContact CG-CD2 4.47Å; L296-F304 HydrophobicContact CG-CE2 4.04Å; L296-F304 HydrophobicContact CG-CZ 4.3Å; L296-F304 PolarHBondContact N-O 2.91Å; L296-F304 PolarHBondContact O-N 2.96Å; L296-L370 HydrophobicContact CD2-CD1 4.2Å; L296-V372 HydrophobicContact CD2-CG2 3.84Å; L296-F401 HydrophobicContact CD1-CD2 4.43Å; L296-F401 HydrophobicContact CD1-CE2 3.8Å; L296-F401 HydrophobicContact CD1-CZ 4.36Å; L296-F401 HydrophobicContact CD2-CE2 4.08Å; L296-F401 HydrophobicContact CD2-CZ 4.27Å; L296-F403 HydrophobicContact CB-CD2 4.35Å; L296-F403 HydrophobicContact CD1-CB 4.17Å; L296-F403 HydrophobicContact CD1-CG 4.31Å; L296-F403 HydrophobicContact CD2-CD1 4.46Å; L296-F403 HydrophobicContact CD2-CE1 4.47Å; L296-K405 VanDerWaalsContact CA-O 3.26Å; L296-K405 WeakPolarHBondContact CA-O 3.3Å; L296-K405 WeakPolarHBondContact CB-O 3.41Å; L296-M406 HydrophobicContact CB-CB 4.1Å; L296-M406 HydrophobicContact CB-CG 4.23Å |
| 297 | E | 97.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.8 | 173 | -178.9 | -169.1 | 121.4 | 0 | 0 | 108.4 | P156 I245 K301 H302 V303 F403 K405 | P156-E297 WeakPolarHBondContact CG-OE2 3.1Å; I245-E297 HydrophobicContact CG2-CB 4.33Å; E297-K301 HydrophobicContact CG-CD 4.37Å; E297-K301 VanDerWaalsContact OE1-CD 3.24Å; E297-K301 WeakPolarHBondContact OE1-CD 3.42Å; E297-K301 IonicContact OE1-NZ 3.72Å; E297-K301 PolarHBondContact OE1-NZ 2.99Å; E297-H302 WeakPolarHBondContact CA-O 3.49Å; E297-V303 HydrophobicContact CB-CG2 4.21Å; E297-V303 HydrophobicContact CG-CG2 4.08Å; E297-F403 WeakPolarHBondContact O-CB 3.32Å; E297-K405 HydrophobicContact CB-CB 4.2Å; E297-K405 PolarHBondContact N-O 3.12Å; E297-K405 IonicContact OE2-NZ 3.68Å |
| 298 | D | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 167.4 | 174.6 | 75.6 | 11.3 | 0 | 0 | 0 | 112.1 | D300 K301 H302 F304 A397 F401 Q402 | D298-D300 PolarHBondContact O-N 2.94Å; D298-D300 VanDerWaalsContact O-N 3.16Å; D298-D300 WeakPolarHBondContact OD1-CA 3.18Å; D298-D300 PolarHBondContact OD1-N 2.91Å; D298-K301 PolarHBondContact O-N 3.49Å; D298-K301 PolarHBondContact OD1-N 3.43Å; D298-H302 PolarHBondContact N-O 3.46Å; D298-H302 WeakPolarHBondContact OD1-CB 3.4Å; D298-H302 PolarHBondContact OD1-N 2.79Å; D298-H302 IonicContact OD1-ND1 2.73Å; D298-H302 WeakPolarHBondContact OD2-CB 3.36Å; D298-H302 IonicContact OD2-CG 3.99Å; D298-F304 HydrophobicContact CB-CE1 4.14Å; D298-F304 HydrophobicContact CB-CZ 4.41Å; D298-A397 PolarHBondContact OD2-N 2.86Å; D298-F401 HydrophobicContact CB-CB 4.26Å; D298-F401 HydrophobicContact CB-CD2 4.22Å; D298-F401 HydrophobicContact CB-CG 4.5Å; D298-Q402 CarbonylContact C-O 3.56Å; D298-Q402 WeakPolarHBondContact CA-O 3.31Å; D298-Q402 WeakPolarHBondContact CB-O 3.3Å |
| 299 | H | 96.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 20.7 Ų | 20.7 | 38% | 0.384 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.6 | -179.9 | -70.9 | 173.3 | 0 | 0 | 0 | 113.4 | K301 Q402 D404 | H299-K301 VanDerWaalsContact C-N 3.28Å; H299-K301 PolarHBondContact O-N 3.29Å; H299-Q402 VanDerWaalsContact CE1-CB 3.48Å; H299-Q402 WeakPolarHBondContact CE1-CB 3.42Å; H299-Q402 PolarHBondContact N-O 3Å; H299-Q402 WeakPolarHBondContact ND1-CB 3.45Å; H299-D404 IonicContact CD2-OD2 2.99Å; H299-D404 IonicContact CE1-OD1 2.98Å; H299-D404 IonicContact NE2-OD1 2.68Å; H299-D404 PolarHBondContact NE2-OD1 3.04Å; H299-D404 IonicContact NE2-OD2 3.24Å; H299-D404 PolarHBondContact NE2-OD2 3.49Å |
| 300 | D | 95.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 19 Ų | 19 | 45% | 0.449 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 13.8 | 175.4 | -64.5 | -68.4 | 0 | 0 | 0 | 113 | D298 H302 A397 H398 | D298-D300 PolarHBondContact O-N 2.94Å; D298-D300 VanDerWaalsContact O-N 3.16Å; D298-D300 WeakPolarHBondContact OD1-CA 3.18Å; D298-D300 PolarHBondContact OD1-N 2.91Å; D300-H302 PolarHBondContact O-N 3.24Å; D300-H302 PolarHBondContact O-ND1 3.33Å; D300-A397 HydrophobicContact CB-CB 3.35Å; D300-H398 IonicContact OD2-CD2 3.95Å; D300-H398 PolarHBondContact OD2-CD2 3.39Å; D300-H398 IonicContact OD2-NE2 3.93Å |
| 301 | K | 93.9 | Very high | 96.8 | Very high | 90 Ų | 90 | 20 Ų | 20 | 39% | 0.391 | 11% | 0.106 | S | C | . | . | trans | 64.5 | 19.8 | 175.7 | -51.6 | -53 | -175.7 | -168.7 | 0 | 115 | E297 D298 H299 | E297-K301 HydrophobicContact CG-CD 4.37Å; E297-K301 VanDerWaalsContact OE1-CD 3.24Å; E297-K301 WeakPolarHBondContact OE1-CD 3.42Å; E297-K301 IonicContact OE1-NZ 3.72Å; E297-K301 PolarHBondContact OE1-NZ 2.99Å; D298-K301 PolarHBondContact O-N 3.49Å; D298-K301 PolarHBondContact OD1-N 3.43Å; H299-K301 VanDerWaalsContact C-N 3.28Å; H299-K301 PolarHBondContact O-N 3.29Å | ||
| 302 | H | 95.7 | Very high | 96.8 | Very high | 44 Ų | 44 | 19 Ų | 19 | 20% | 0.204 | 10% | 0.099 | C | C | . | . | trans | -76.5 | 135.2 | 166.8 | -67.4 | 48.1 | 0 | 0 | 0 | 108.9 | E297 D298 D300 F304 C330 P331 | E297-H302 WeakPolarHBondContact CA-O 3.49Å; D298-H302 PolarHBondContact N-O 3.46Å; D298-H302 WeakPolarHBondContact OD1-CB 3.4Å; D298-H302 PolarHBondContact OD1-N 2.79Å; D298-H302 IonicContact OD1-ND1 2.73Å; D298-H302 WeakPolarHBondContact OD2-CB 3.36Å; D298-H302 IonicContact OD2-CG 3.99Å; D300-H302 PolarHBondContact O-N 3.24Å; D300-H302 PolarHBondContact O-ND1 3.33Å; H302-F304 HydrophobicContact CB-CD1 3.91Å; H302-F304 HydrophobicContact CB-CE1 3.94Å; H302-C330 WeakPolarHBondContact CA-O 3.21Å; H302-P331 WeakPolarHBondContact CD2-CD 3.41Å; H302-P331 WeakPolarHBondContact NE2-CD 3.25Å | ||
| 303 | V | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.2 | 179.2 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | I245 V295 L296 E297 I329 C330 | I245-V303 HydrophobicContact CG2-CG1 3.63Å; I245-V303 HydrophobicContact CG2-CG2 4.14Å; V295-V303 HydrophobicContact CG2-CG1 3.73Å; L296-V303 WeakPolarHBondContact O-CA 3.34Å; E297-V303 HydrophobicContact CB-CG2 4.21Å; E297-V303 HydrophobicContact CG-CG2 4.08Å; V303-I329 HydrophobicContact CB-CB 4.1Å; V303-I329 HydrophobicContact CB-CG2 4.4Å; V303-I329 HydrophobicContact CG1-CB 3.94Å; V303-I329 HydrophobicContact CG1-CG1 4.42Å; V303-I329 HydrophobicContact CG1-CG2 4.23Å; V303-I329 WeakPolarHBondContact O-CA 3.3Å; V303-I329 PolarHBondContact O-N 2.92Å; V303-C330 HydrophobicContact CB-CB 3.95Å; V303-C330 HydrophobicContact CG2-CB 4.07Å; V303-C330 PolarHBondContact N-O 3.13Å; V303-C330 VanDerWaalsContact N-O 3.13Å; V303-C330 PolarHBondContact O-N 3.36Å; V303-C330 VanDerWaalsContact O-N 3.09Å |
| 304 | F | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 169.4 | -175.1 | 54.9 | -88.5 | 0 | 0 | 0 | 110.4 | L296 D298 H302 F327 L370 L395 S396 F401 | L296-F304 HydrophobicContact CD1-CD2 4.27Å; L296-F304 HydrophobicContact CD1-CE1 3.88Å; L296-F304 HydrophobicContact CD1-CE2 3.54Å; L296-F304 HydrophobicContact CD1-CZ 3.31Å; L296-F304 HydrophobicContact CD2-CE2 4.36Å; L296-F304 HydrophobicContact CG-CD2 4.47Å; L296-F304 HydrophobicContact CG-CE2 4.04Å; L296-F304 HydrophobicContact CG-CZ 4.3Å; L296-F304 PolarHBondContact N-O 2.91Å; L296-F304 PolarHBondContact O-N 2.96Å; D298-F304 HydrophobicContact CB-CE1 4.14Å; D298-F304 HydrophobicContact CB-CZ 4.41Å; H302-F304 HydrophobicContact CB-CD1 3.91Å; H302-F304 HydrophobicContact CB-CE1 3.94Å; F304-F327 WeakPolarHBondContact CA-O 3.46Å; F304-F327 WeakPolarHBondContact CB-O 3.3Å; F304-L370 HydrophobicContact CD2-CD1 3.93Å; F304-L370 HydrophobicContact CE2-CD1 3.63Å; F304-L395 HydrophobicContact CB-CB 3.87Å; F304-L395 HydrophobicContact CB-CD1 4.49Å; F304-L395 HydrophobicContact CD1-CB 4.41Å; F304-L395 WeakPolarHBondContact CD1-O 3.48Å; F304-L395 HydrophobicContact CD2-CB 3.74Å; F304-L395 HydrophobicContact CD2-CD1 4.27Å; F304-L395 HydrophobicContact CE2-CB 4.4Å; F304-L395 HydrophobicContact CG-CB 3.75Å; F304-S396 VanDerWaalsContact CE1-CA 3.5Å; F304-F401 HydrophobicContact CE2-CE1 4.01Å; F304-F401 HydrophobicContact CE2-CE2 4.33Å; F304-F401 AromaticContact CE2-CZ 3.82Å; F304-F401 HydrophobicContact CE2-CZ 3.82Å; F304-F401 HydrophobicContact CZ-CD1 4.23Å; F304-F401 HydrophobicContact CZ-CD2 4.25Å; F304-F401 AromaticContact CZ-CE1 3.95Å; F304-F401 HydrophobicContact CZ-CE1 3.95Å; F304-F401 HydrophobicContact CZ-CE2 4.01Å; F304-F401 HydrophobicContact CZ-CG 4.37Å; F304-F401 AromaticContact CZ-CZ 3.86Å; F304-F401 HydrophobicContact CZ-CZ 3.86Å |
| 305 | G | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 180 | -163.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A294 F327 | A294-G305 CarbonylContact O-C 3.59Å; A294-G305 WeakPolarHBondContact O-CA 3.43Å; G305-F327 PolarHBondContact N-O 3.43Å; G305-F327 PolarHBondContact O-N 3.02Å |
| 306 | G | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 152.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A294 F325 F327 | A294-G306 PolarHBondContact N-O 2.79Å; A294-G306 PolarHBondContact O-N 2.9Å; G306-F325 CarbonylContact C-O 3.44Å; G306-F325 VanDerWaalsContact CA-O 3.22Å; G306-F325 WeakPolarHBondContact CA-O 3.35Å; G306-F327 VanDerWaalsContact N-CE1 3.3Å |
| 307 | F | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.2 | 169.6 | 171.5 | -111.3 | 0 | 0 | 0 | 109.7 | L258 P291 C292 V293 R323 C324 F325 M361 V411 | L258-F307 HydrophobicContact CD2-CB 4.3Å; L258-F307 HydrophobicContact CD2-CD1 4.15Å; L258-F307 HydrophobicContact CD2-CD2 3.41Å; L258-F307 VanDerWaalsContact CD2-CD2 3.41Å; L258-F307 HydrophobicContact CD2-CE1 4.37Å; L258-F307 HydrophobicContact CD2-CE2 3.69Å; L258-F307 HydrophobicContact CD2-CG 3.67Å; L258-F307 HydrophobicContact CD2-CZ 4.16Å; P291-F307 HydrophobicContact CB-CE2 3.95Å; P291-F307 HydrophobicContact CB-CZ 4.04Å; C292-F307 WeakPolarHBondContact O-CA 3.33Å; C292-F307 WeakPolarHBondContact O-CD2 3.26Å; V293-F307 HydrophobicContact CG2-CD2 3.89Å; F307-R323 WeakPolarHBondContact CD1-O 3.34Å; F307-C324 VanDerWaalsContact O-CA 3.28Å; F307-C324 WeakPolarHBondContact O-CA 3.41Å; F307-C324 WeakPolarHBondContact O-CB 3.14Å; F307-F325 HydrophobicContact CB-CD1 3.81Å; F307-F325 HydrophobicContact CB-CD2 4.1Å; F307-F325 HydrophobicContact CB-CE1 3.45Å; F307-F325 VanDerWaalsContact CB-CE1 3.45Å; F307-F325 HydrophobicContact CB-CE2 3.77Å; F307-F325 HydrophobicContact CB-CG 4.13Å; F307-F325 HydrophobicContact CB-CZ 3.43Å; F307-F325 VanDerWaalsContact CB-CZ 3.43Å; F307-F325 AromaticContact CD1-CD1 3.71Å; F307-F325 HydrophobicContact CD1-CD1 3.71Å; F307-F325 AromaticContact CD1-CE1 3.42Å; F307-F325 HydrophobicContact CD1-CE1 3.42Å; F307-F325 VanDerWaalsContact CD1-CE1 3.42Å; F307-F325 HydrophobicContact CD1-CZ 4.23Å; F307-F325 HydrophobicContact CE1-CE1 4.41Å; F307-F325 HydrophobicContact CG-CD1 4.17Å; F307-F325 AromaticContact CG-CE1 3.65Å; F307-F325 HydrophobicContact CG-CE1 3.65Å; F307-F325 AromaticContact CG-CZ 3.99Å; F307-F325 HydrophobicContact CG-CZ 3.99Å; F307-F325 PolarHBondContact N-O 3.37Å; F307-F325 PolarHBondContact O-N 3.18Å; F307-M361 VanDerWaalsContact O-CE 3.24Å; F307-M361 WeakPolarHBondContact O-CE 3.37Å; F307-V411 HydrophobicContact CD2-CG2 4.42Å; F307-V411 HydrophobicContact CE2-CG2 3.67Å |
| 308 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P291 C292 C310 W312 M346 | P291-A308 WeakPolarHBondContact CA-O 3.39Å; P291-A308 WeakPolarHBondContact CB-O 3.44Å; C292-A308 PolarHBondContact N-O 3.49Å; C292-A308 PolarHBondContact O-N 3.47Å; A308-C310 VanDerWaalsContact C-N 3.27Å; A308-C310 PolarHBondContact O-N 3.24Å; A308-W312 HydrophobicContact CB-CH2 4.3Å; A308-W312 HydrophobicContact CB-CZ2 3.53Å; A308-M346 HydrophobicContact CB-CE 3.76Å; A308-M346 HydrophobicContact CB-SD 3.81Å |
| 309 | S | 95 | Very high | 95.9 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -75.3 | -11.6 | -172.1 | 63 | 0 | 0 | 0 | 0 | 115 | D321 C324 | S309-D321 WeakPolarHBondContact CB-OD1 3.14Å; S309-D321 PolarHBondContact OG-N 2.84Å; S309-D321 PolarHBondContact OG-OD1 3.38Å; S309-C324 PolarHBondContact N-SG 3.36Å; S309-C324 PolarHBondContact OG-SG 2.99Å |
| 310 | C | 93.3 | Very high | 95.9 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 29% | 0.291 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -133.9 | 176 | 174.6 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | A308 | A308-C310 VanDerWaalsContact C-N 3.27Å; A308-C310 PolarHBondContact O-N 3.24Å |
| 311 | S | 94.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | trans | -63.9 | 140.8 | 173 | -79.6 | 0 | 0 | 0 | 0 | 111.8 | R289 G290 | R289-S311 PolarHBondContact N-OG 2.9Å; G290-S311 PolarHBondContact N-OG 3.43Å | ||
| 312 | W | 95.3 | Very high | 96 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 132.1 | 171.1 | -64.3 | 96.9 | 0 | 0 | 0 | 110.8 | I286 T287 H288 A308 M346 L348 L359 M361 | I286-W312 HydrophobicContact CD1-CB 4.4Å; I286-W312 HydrophobicContact CD1-CD2 4.35Å; I286-W312 HydrophobicContact CD1-CG 3.97Å; I286-W312 HydrophobicContact CG1-CB 4.23Å; I286-W312 HydrophobicContact CG1-CG 4.18Å; T287-W312 VanDerWaalsContact CA-O 3.3Å; T287-W312 WeakPolarHBondContact CA-O 3.41Å; T287-W312 WeakPolarHBondContact CG2-O 3.43Å; H288-W312 PolarHBondContact N-O 3.28Å; A308-W312 HydrophobicContact CB-CH2 4.3Å; A308-W312 HydrophobicContact CB-CZ2 3.53Å; W312-M346 HydrophobicContact CD2-CE 3.38Å; W312-M346 HydrophobicContact CE3-CE 3.23Å; W312-M346 HydrophobicContact CG-CE 4Å; W312-M346 HydrophobicContact CH2-CB 3.83Å; W312-M346 HydrophobicContact CH2-CE 3.93Å; W312-M346 HydrophobicContact CZ2-CE 4.05Å; W312-M346 HydrophobicContact CZ3-CB 3.74Å; W312-M346 HydrophobicContact CZ3-CE 3.54Å; W312-L348 HydrophobicContact CB-CD2 3.76Å; W312-L348 HydrophobicContact CE3-CB 3.69Å; W312-L348 HydrophobicContact CE3-CD2 4.36Å; W312-L348 HydrophobicContact CG-CD2 4.44Å; W312-L348 HydrophobicContact CZ3-CB 4.21Å; W312-L359 HydrophobicContact CD2-CD1 4.44Å; W312-L359 HydrophobicContact CE3-CD1 4.41Å; W312-L359 HydrophobicContact CE3-CG 4.42Å; W312-L359 HydrophobicContact CH2-CD1 3.94Å; W312-L359 HydrophobicContact CH2-CD2 3.72Å; W312-L359 HydrophobicContact CH2-CG 3.7Å; W312-L359 HydrophobicContact CZ2-CD1 3.98Å; W312-L359 HydrophobicContact CZ2-CD2 4.26Å; W312-L359 HydrophobicContact CZ2-CG 4.25Å; W312-L359 HydrophobicContact CZ3-CD1 4.15Å; W312-L359 HydrophobicContact CZ3-CD2 4.26Å; W312-L359 HydrophobicContact CZ3-CG 3.79Å; W312-M361 HydrophobicContact CH2-CG 3.94Å; W312-M361 HydrophobicContact CH2-SD 4.19Å; W312-M361 HydrophobicContact CZ2-SD 4.41Å |
| 313 | E | 96 | Very high | 96.1 | Very high | 77 Ų | 77 | 36.6 Ų | 36.6 | 36% | 0.36 | 19% | 0.193 | S | C | . | . | trans | -121 | 142.4 | 167.3 | -57.9 | 174.2 | 174.3 | 0 | 0 | 109.4 | K315 Q319 | E313-K315 HydrophobicContact CB-CD 4.43Å; E313-K315 PolarHBondContact O-N 2.75Å; E313-K315 IonicContact OE2-NZ 2.55Å; E313-K315 PolarHBondContact OE2-NZ 2.76Å; E313-Q319 PolarHBondContact O-NE2 3.03Å; E313-Q319 PolarHBondContact O-OE1 3.03Å | ||
| 314 | V | 95.8 | Very high | 96.1 | Very high | 67 Ų | 67 | 36.7 Ų | 36.7 | 41% | 0.406 | 19% | 0.193 | S | C | . | . | trans | -82.3 | 102.6 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | L348 H350 | V314-L348 WeakPolarHBondContact CA-O 3.32Å; V314-L348 HydrophobicContact CG2-CD2 3.91Å; V314-L348 HydrophobicContact CG2-CG 4.21Å; V314-H350 HydrophobicContact CG1-CB 3.9Å | ||
| 315 | K | 94.6 | Very high | 96.1 | Very high | 59 Ų | 59 | 37 Ų | 37 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 156.6 | 178.2 | 67 | -173.1 | 177 | -154 | 0 | 111.5 | E313 Q317 L348 | E313-K315 HydrophobicContact CB-CD 4.43Å; E313-K315 PolarHBondContact O-N 2.75Å; E313-K315 IonicContact OE2-NZ 2.55Å; E313-K315 PolarHBondContact OE2-NZ 2.76Å; K315-Q317 PolarHBondContact O-N 2.91Å; K315-L348 PolarHBondContact N-O 2.97Å |
| 316 | P | 91.3 | Very high | 96.1 | Very high | 40 Ų | 40 | 37 Ų | 37 | 26% | 0.26 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -5.3 | -176.1 | 28.8 | -34.3 | 0 | 0 | 0 | 114.6 | I355 | P316-I355 HydrophobicContact CB-CD1 3.55Å |
| 317 | Q | 94.9 | Very high | 96.1 | Very high | 114 Ų | 114 | 37 Ų | 37 | 53% | 0.533 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 154.8 | 179.1 | -57.6 | 84.5 | 2.1 | 0 | 0 | 112.1 | K315 | K315-Q317 PolarHBondContact O-N 2.91Å |
| 318 | F | 96.9 | Very high | 96.1 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 152.3 | 164.8 | -71.3 | -85.4 | 0 | 0 | 0 | 111.3 | H344 M346 Y347 H365 F368 | F318-H344 VanDerWaalsContact CD1-CA 3.49Å; F318-H344 HydrophobicContact CD1-CB 3.6Å; F318-H344 HydrophobicContact CD2-CB 4.23Å; F318-H344 AromaticContact CD2-CD2 3.56Å; F318-H344 AromaticContact CD2-CG 3.86Å; F318-H344 HydrophobicContact CE1-CB 3.6Å; F318-H344 HydrophobicContact CE2-CB 4.27Å; F318-H344 AromaticContact CE2-CD2 3.92Å; F318-H344 AromaticContact CE2-CG 3.86Å; F318-H344 HydrophobicContact CG-CB 3.92Å; F318-H344 AromaticContact CG-CD2 3.86Å; F318-H344 HydrophobicContact CZ-CB 3.97Å; F318-H344 AromaticContact CZ-CG 4Å; F318-M346 CarbonylContact C-O 3.43Å; F318-M346 WeakPolarHBondContact CA-O 3.47Å; F318-Y347 HydrophobicContact CD1-CD2 4.4Å; F318-Y347 HydrophobicContact CE1-CD2 4.39Å; F318-Y347 HydrophobicContact CE1-CG 4.45Å; F318-Y347 HydrophobicContact CZ-CD2 4.5Å; F318-H365 AromaticContact CE2-CE1 3.84Å; F318-F368 HydrophobicContact CE1-CD1 4.4Å; F318-F368 AromaticContact CE1-CE1 3.63Å; F318-F368 HydrophobicContact CE1-CE1 3.63Å; F318-F368 HydrophobicContact CE1-CZ 4.48Å; F318-F368 AromaticContact CZ-CE1 3.8Å; F318-F368 HydrophobicContact CZ-CE1 3.8Å; F318-F368 HydrophobicContact CZ-CZ 4.29Å |
| 319 | Q | 96.6 | Very high | 96 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | -178.3 | -178.7 | 68.5 | -164.4 | -17 | 0 | 0 | 110.6 | E313 M346 | E313-Q319 PolarHBondContact O-NE2 3.03Å; E313-Q319 PolarHBondContact O-OE1 3.03Å; Q319-M346 HydrophobicContact CB-CG 4.48Å; Q319-M346 HydrophobicContact CG-CB 4.5Å; Q319-M346 HydrophobicContact CG-CE 3.91Å; Q319-M346 HydrophobicContact CG-CG 3.59Å; Q319-M346 HydrophobicContact CG-SD 4.05Å; Q319-M346 PolarHBondContact N-O 3.01Å; Q319-M346 WeakPolarHBondContact O-CG 3.28Å; Q319-M346 PolarHBondContact O-N 3.03Å |
| 320 | G | 95.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | trans | 87.7 | -173.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 321 | D | 96.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | trans | -137.7 | -175.9 | 179 | 65.4 | 27.9 | 0 | 0 | 0 | 112 | S309 R323 C324 Y345 | S309-D321 WeakPolarHBondContact CB-OD1 3.14Å; S309-D321 PolarHBondContact OG-N 2.84Å; S309-D321 PolarHBondContact OG-OD1 3.38Å; D321-R323 PolarHBondContact O-N 3.5Å; D321-R323 VanDerWaalsContact O-N 3.12Å; D321-R323 VanDerWaalsContact OD1-CB 3.23Å; D321-R323 WeakPolarHBondContact OD1-CB 3.45Å; D321-R323 PolarHBondContact OD1-N 3.16Å; D321-R323 IonicContact OD1-NE 2.74Å; D321-R323 PolarHBondContact OD1-NE 2.97Å; D321-R323 IonicContact OD2-CZ 2.69Å; D321-R323 VanDerWaalsContact OD2-CZ 3.24Å; D321-R323 IonicContact OD2-NE 3.98Å; D321-R323 PolarHBondContact OD2-NE 3.04Å; D321-R323 IonicContact OD2-NH2 3.97Å; D321-R323 PolarHBondContact OD2-NH2 3.22Å; D321-C324 WeakPolarHBondContact O-CB 3.42Å; D321-C324 PolarHBondContact O-N 3.25Å; D321-C324 VanDerWaalsContact O-N 3.12Å; D321-C324 PolarHBondContact O-SG 2.69Å; D321-Y345 VanDerWaalsContact C-CD2 3.47Å; D321-Y345 VanDerWaalsContact C-CE2 3.49Å; D321-Y345 WeakPolarHBondContact O-CD1 3.32Å; D321-Y345 WeakPolarHBondContact O-CD2 3.4Å; D321-Y345 VanDerWaalsContact O-CG 3.24Å | ||
| 322 | D | 95.5 | Very high | 95.8 | Very high | 82 Ų | 82 | 40 Ų | 40 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -7.5 | -176.2 | 70.7 | -21 | 0 | 0 | 0 | 114.4 | C324 H338 Y345 | D322-C324 VanDerWaalsContact C-N 3.34Å; D322-H338 PolarHBondContact O-ND1 2.68Å; D322-H338 IonicContact OD2-CE1 3.24Å; D322-Y345 HydrophobicContact CB-CE1 4.48Å |
| 323 | R | 96.7 | Very high | 95.7 | Very high | 123 Ų | 123 | 40 Ų | 40 | 46% | 0.464 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.4 | 173.4 | -55.9 | 176.2 | -71.4 | 176.4 | -3.1 | 112.6 | F307 D321 | F307-R323 WeakPolarHBondContact CD1-O 3.34Å; D321-R323 PolarHBondContact O-N 3.5Å; D321-R323 VanDerWaalsContact O-N 3.12Å; D321-R323 VanDerWaalsContact OD1-CB 3.23Å; D321-R323 WeakPolarHBondContact OD1-CB 3.45Å; D321-R323 PolarHBondContact OD1-N 3.16Å; D321-R323 IonicContact OD1-NE 2.74Å; D321-R323 PolarHBondContact OD1-NE 2.97Å; D321-R323 IonicContact OD2-CZ 2.69Å; D321-R323 VanDerWaalsContact OD2-CZ 3.24Å; D321-R323 IonicContact OD2-NE 3.98Å; D321-R323 PolarHBondContact OD2-NE 3.04Å; D321-R323 IonicContact OD2-NH2 3.97Å; D321-R323 PolarHBondContact OD2-NH2 3.22Å |
| 324 | C | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | trans | -61.8 | 147 | 171.8 | -69.4 | 0 | 0 | 0 | 0 | 110.8 | F307 S309 D321 D322 Y390 | F307-C324 VanDerWaalsContact O-CA 3.28Å; F307-C324 WeakPolarHBondContact O-CA 3.41Å; F307-C324 WeakPolarHBondContact O-CB 3.14Å; S309-C324 PolarHBondContact N-SG 3.36Å; S309-C324 PolarHBondContact OG-SG 2.99Å; D321-C324 WeakPolarHBondContact O-CB 3.42Å; D321-C324 PolarHBondContact O-N 3.25Å; D321-C324 VanDerWaalsContact O-N 3.12Å; D321-C324 PolarHBondContact O-SG 2.69Å; D322-C324 VanDerWaalsContact C-N 3.34Å; C324-Y390 HydrophobicContact CB-CE1 4.29Å; C324-Y390 WeakPolarHBondContact CB-OH 3.37Å; C324-Y390 VanDerWaalsContact O-CE1 3.28Å; C324-Y390 WeakPolarHBondContact O-CE1 3.43Å | ||
| 325 | F | 98.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157.2 | 174.2 | 60.7 | -97.9 | 0 | 0 | 0 | 111.4 | H257 L258 G306 F307 F327 V335 Y336 T337 | H257-F325 HydrophobicContact CB-CE1 4.24Å; H257-F325 HydrophobicContact CB-CE2 4.46Å; H257-F325 HydrophobicContact CB-CZ 3.92Å; L258-F325 HydrophobicContact CD2-CE1 4.11Å; L258-F325 HydrophobicContact CD2-CZ 3.93Å; G306-F325 CarbonylContact C-O 3.44Å; G306-F325 VanDerWaalsContact CA-O 3.22Å; G306-F325 WeakPolarHBondContact CA-O 3.35Å; F307-F325 HydrophobicContact CB-CD1 3.81Å; F307-F325 HydrophobicContact CB-CD2 4.1Å; F307-F325 HydrophobicContact CB-CE1 3.45Å; F307-F325 VanDerWaalsContact CB-CE1 3.45Å; F307-F325 HydrophobicContact CB-CE2 3.77Å; F307-F325 HydrophobicContact CB-CG 4.13Å; F307-F325 HydrophobicContact CB-CZ 3.43Å; F307-F325 VanDerWaalsContact CB-CZ 3.43Å; F307-F325 AromaticContact CD1-CD1 3.71Å; F307-F325 HydrophobicContact CD1-CD1 3.71Å; F307-F325 AromaticContact CD1-CE1 3.42Å; F307-F325 HydrophobicContact CD1-CE1 3.42Å; F307-F325 VanDerWaalsContact CD1-CE1 3.42Å; F307-F325 HydrophobicContact CD1-CZ 4.23Å; F307-F325 HydrophobicContact CE1-CE1 4.41Å; F307-F325 HydrophobicContact CG-CD1 4.17Å; F307-F325 AromaticContact CG-CE1 3.65Å; F307-F325 HydrophobicContact CG-CE1 3.65Å; F307-F325 AromaticContact CG-CZ 3.99Å; F307-F325 HydrophobicContact CG-CZ 3.99Å; F307-F325 PolarHBondContact N-O 3.37Å; F307-F325 PolarHBondContact O-N 3.18Å; F325-F327 HydrophobicContact CD2-CB 4.43Å; F325-F327 HydrophobicContact CD2-CD1 4.17Å; F325-F327 HydrophobicContact CE2-CB 4.39Å; F325-F327 AromaticContact CE2-CD1 3.79Å; F325-F327 HydrophobicContact CE2-CD1 3.79Å; F325-V335 HydrophobicContact CB-CG1 4.21Å; F325-V335 HydrophobicContact CD2-CG1 3.65Å; F325-V335 HydrophobicContact CE2-CG1 4.15Å; F325-V335 HydrophobicContact CG-CG1 3.97Å; F325-Y336 WeakPolarHBondContact CA-O 3.34Å; F325-Y336 WeakPolarHBondContact CB-O 3.17Å; F325-T337 HydrophobicContact CB-CG2 4.45Å |
| 326 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 154.5 | 166.9 | -68.4 | 176.9 | 0 | 0 | 0 | 110.1 | Y336 M361 L370 Y390 L395 | L326-Y336 HydrophobicContact CB-CD2 4.35Å; L326-Y336 PolarHBondContact N-O 3.43Å; L326-Y336 PolarHBondContact O-N 3.42Å; L326-M361 HydrophobicContact CD2-CB 3.79Å; L326-M361 HydrophobicContact CD2-CE 4.33Å; L326-M361 HydrophobicContact CD2-SD 4.25Å; L326-L370 HydrophobicContact CD2-CB 3.83Å; L326-L370 HydrophobicContact CD2-CD2 4.13Å; L326-Y390 HydrophobicContact CB-CD2 4.46Å; L326-Y390 HydrophobicContact CD1-CD2 3.46Å; L326-Y390 VanDerWaalsContact CD1-CD2 3.46Å; L326-Y390 HydrophobicContact CD1-CE2 4.16Å; L326-Y390 HydrophobicContact CD1-CG 4.17Å; L326-Y390 HydrophobicContact CG-CD2 3.53Å; L326-Y390 HydrophobicContact CG-CE2 3.92Å; L326-Y390 HydrophobicContact CG-CG 4.1Å; L326-L395 HydrophobicContact CB-CD1 4.09Å; L326-L395 HydrophobicContact CD1-CD1 4.05Å; L326-L395 HydrophobicContact CD2-CD1 4.33Å; L326-L395 HydrophobicContact CG-CD1 4.38Å |
| 327 | F | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155.6 | 175.2 | 63.9 | -97.2 | 0 | 0 | 0 | 112.1 | I254 V293 V295 F304 G305 G306 F325 I329 A334 V335 | I254-F327 HydrophobicContact CD1-CD2 4.12Å; I254-F327 HydrophobicContact CD1-CE1 4.38Å; I254-F327 HydrophobicContact CD1-CE2 3.6Å; I254-F327 HydrophobicContact CD1-CZ 3.75Å; I254-F327 HydrophobicContact CG1-CD2 4.22Å; I254-F327 HydrophobicContact CG1-CE2 4.19Å; I254-F327 HydrophobicContact CG1-CG 4.46Å; I254-F327 HydrophobicContact CG1-CZ 4.39Å; I254-F327 HydrophobicContact CG2-CE1 4.46Å; V293-F327 HydrophobicContact CG1-CE1 3.94Å; V293-F327 HydrophobicContact CG1-CZ 3.88Å; V295-F327 HydrophobicContact CB-CZ 4.31Å; V295-F327 HydrophobicContact CG2-CE2 4.46Å; F304-F327 WeakPolarHBondContact CA-O 3.46Å; F304-F327 WeakPolarHBondContact CB-O 3.3Å; G305-F327 PolarHBondContact N-O 3.43Å; G305-F327 PolarHBondContact O-N 3.02Å; G306-F327 VanDerWaalsContact N-CE1 3.3Å; F325-F327 HydrophobicContact CD2-CB 4.43Å; F325-F327 HydrophobicContact CD2-CD1 4.17Å; F325-F327 HydrophobicContact CE2-CB 4.39Å; F325-F327 AromaticContact CE2-CD1 3.79Å; F325-F327 HydrophobicContact CE2-CD1 3.79Å; F327-I329 HydrophobicContact CD2-CD1 4.07Å; F327-I329 HydrophobicContact CD2-CG1 3.81Å; F327-I329 HydrophobicContact CE2-CD1 4.44Å; F327-I329 HydrophobicContact CE2-CG1 3.91Å; F327-A334 CarbonylContact C-O 3.5Å; F327-A334 WeakPolarHBondContact CA-O 3.47Å; F327-A334 WeakPolarHBondContact CB-O 3.24Å; F327-V335 HydrophobicContact CB-CG2 4.19Å |
| 328 | S | 97.5 | Very high | 96.3 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 149 | 166.6 | 66.2 | 0 | 0 | 0 | 0 | 109.5 | S332 M333 A334 | S328-S332 CarbonylContact C-O 3.53Å; S328-S332 WeakPolarHBondContact CB-O 3.35Å; S328-S332 PolarHBondContact OG-O 3.2Å; S328-M333 VanDerWaalsContact O-CA 3.24Å; S328-M333 WeakPolarHBondContact O-CA 3.4Å; S328-A334 PolarHBondContact N-O 2.99Å; S328-A334 PolarHBondContact O-N 3.13Å; S328-A334 PolarHBondContact OG-N 3.34Å |
| 329 | I | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | -37.6 | -179.7 | -62.7 | -60.5 | 0 | 0 | 0 | 111.2 | R161 S250 Y253 I254 V303 F327 M333 | R161-I329 PolarHBondContact NH1-O 3.5Å; S250-I329 VanDerWaalsContact OG-CG2 3.3Å; S250-I329 WeakPolarHBondContact OG-CG2 3.39Å; Y253-I329 HydrophobicContact CD1-CD1 3.97Å; I254-I329 HydrophobicContact CD1-CD1 3.96Å; I254-I329 HydrophobicContact CD1-CG1 4.31Å; I254-I329 HydrophobicContact CG1-CD1 3.91Å; V303-I329 HydrophobicContact CB-CB 4.1Å; V303-I329 HydrophobicContact CB-CG2 4.4Å; V303-I329 HydrophobicContact CG1-CB 3.94Å; V303-I329 HydrophobicContact CG1-CG1 4.42Å; V303-I329 HydrophobicContact CG1-CG2 4.23Å; V303-I329 WeakPolarHBondContact O-CA 3.3Å; V303-I329 PolarHBondContact O-N 2.92Å; F327-I329 HydrophobicContact CD2-CD1 4.07Å; F327-I329 HydrophobicContact CD2-CG1 3.81Å; F327-I329 HydrophobicContact CE2-CD1 4.44Å; F327-I329 HydrophobicContact CE2-CG1 3.91Å; I329-M333 HydrophobicContact CD1-CG 4.3Å; I329-M333 HydrophobicContact CG2-CE 4.24Å |
| 330 | C | 93.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 134.5 | 175.7 | -157.7 | 0 | 0 | 0 | 0 | 109.2 | H302 V303 | H302-C330 WeakPolarHBondContact CA-O 3.21Å; V303-C330 HydrophobicContact CB-CB 3.95Å; V303-C330 HydrophobicContact CG2-CB 4.07Å; V303-C330 PolarHBondContact N-O 3.13Å; V303-C330 VanDerWaalsContact N-O 3.13Å; V303-C330 PolarHBondContact O-N 3.36Å; V303-C330 VanDerWaalsContact O-N 3.09Å |
| 331 | P | 92.7 | Very high | 96.2 | Very high | 69 Ų | 69 | 45 Ų | 45 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | S | Bend | cis | -81.1 | -15.9 | 6 | 31.6 | -37.6 | 0 | 0 | 0 | 115 | H302 | H302-P331 WeakPolarHBondContact CD2-CD 3.41Å; H302-P331 WeakPolarHBondContact NE2-CD 3.25Å |
| 332 | S | 92.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -129.3 | 145.1 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 111 | S328 | S328-S332 CarbonylContact C-O 3.53Å; S328-S332 WeakPolarHBondContact CB-O 3.35Å; S328-S332 PolarHBondContact OG-O 3.2Å |
| 333 | M | 94.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | trans | -83 | 132.1 | 173.7 | -80.7 | 174.6 | -176 | 0 | 0 | 111.1 | R161 V164 L165 Q168 Y253 S328 I329 | R161-M333 HydrophobicContact CG-CE 3.92Å; V164-M333 HydrophobicContact CG1-CB 4.34Å; V164-M333 HydrophobicContact CG1-CG 3.87Å; V164-M333 HydrophobicContact CG1-SD 4.39Å; L165-M333 HydrophobicContact CB-CE 4.17Å; L165-M333 HydrophobicContact CB-SD 3.76Å; L165-M333 HydrophobicContact CD1-SD 3.67Å; L165-M333 HydrophobicContact CG-SD 4.27Å; Q168-M333 HydrophobicContact CB-CB 3.87Å; Q168-M333 HydrophobicContact CG-CB 3.87Å; Q168-M333 PolarHBondContact OE1-O 3.35Å; Y253-M333 HydrophobicContact CD1-CB 4.21Å; Y253-M333 HydrophobicContact CD1-CG 4.09Å; Y253-M333 HydrophobicContact CD1-SD 4.05Å; Y253-M333 HydrophobicContact CD2-SD 4.23Å; Y253-M333 HydrophobicContact CE1-CB 3.76Å; Y253-M333 HydrophobicContact CE1-CG 4.14Å; Y253-M333 HydrophobicContact CE2-CB 4.38Å; Y253-M333 HydrophobicContact CG-SD 3.89Å; S328-M333 VanDerWaalsContact O-CA 3.24Å; S328-M333 WeakPolarHBondContact O-CA 3.4Å; I329-M333 HydrophobicContact CD1-CG 4.3Å; I329-M333 HydrophobicContact CG2-CE 4.24Å | ||
| 334 | A | 95.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 154.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y253 F327 S328 Y336 | Y253-A334 VanDerWaalsContact OH-CA 3.3Å; Y253-A334 WeakPolarHBondContact OH-CA 3.22Å; Y253-A334 PolarHBondContact OH-N 3.08Å; F327-A334 CarbonylContact C-O 3.5Å; F327-A334 WeakPolarHBondContact CA-O 3.47Å; F327-A334 WeakPolarHBondContact CB-O 3.24Å; S328-A334 PolarHBondContact N-O 2.99Å; S328-A334 PolarHBondContact O-N 3.13Å; S328-A334 PolarHBondContact OG-N 3.34Å; A334-Y336 HydrophobicContact CB-CE1 4.01Å; A334-Y336 HydrophobicContact CB-CE2 3.78Å; A334-Y336 VanDerWaalsContact CB-CZ 3.41Å; A334-Y336 VanDerWaalsContact CB-OH 3.26Å; A334-Y336 WeakPolarHBondContact CB-OH 3.3Å |
| 335 | V | 97.4 | Very high | 96.3 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.4 | 172.5 | 174.1 | 0 | 0 | 0 | 0 | 109.2 | Y253 H257 F325 F327 T337 | Y253-V335 HydrophobicContact CE1-CG2 3.9Å; H257-V335 HydrophobicContact CB-CG1 4.49Å; H257-V335 HydrophobicContact CB-CG2 4.46Å; F325-V335 HydrophobicContact CB-CG1 4.21Å; F325-V335 HydrophobicContact CD2-CG1 3.65Å; F325-V335 HydrophobicContact CE2-CG1 4.15Å; F325-V335 HydrophobicContact CG-CG1 3.97Å; F327-V335 HydrophobicContact CB-CG2 4.19Å; V335-T337 HydrophobicContact CG1-CG2 4.32Å |
| 336 | Y | 97.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 43 Ų | 43 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 99.3 | -173.7 | -52.9 | -74.5 | 0 | 0 | 0 | 109.4 | F325 L326 A334 Y390 P393 L395 | F325-Y336 WeakPolarHBondContact CA-O 3.34Å; F325-Y336 WeakPolarHBondContact CB-O 3.17Å; L326-Y336 HydrophobicContact CB-CD2 4.35Å; L326-Y336 PolarHBondContact N-O 3.43Å; L326-Y336 PolarHBondContact O-N 3.42Å; A334-Y336 HydrophobicContact CB-CE1 4.01Å; A334-Y336 HydrophobicContact CB-CE2 3.78Å; A334-Y336 VanDerWaalsContact CB-CZ 3.41Å; A334-Y336 VanDerWaalsContact CB-OH 3.26Å; A334-Y336 WeakPolarHBondContact CB-OH 3.3Å; Y336-Y390 WeakPolarHBondContact CB-O 3.1Å; Y336-P393 HydrophobicContact CE1-CG 4.08Å; Y336-P393 WeakPolarHBondContact OH-CD 3.35Å; Y336-P393 WeakPolarHBondContact OH-CG 2.99Å; Y336-L395 HydrophobicContact CD2-CD2 3.89Å; Y336-L395 HydrophobicContact CE2-CD2 3.5Å; Y336-L395 VanDerWaalsContact CE2-CD2 3.5Å |
| 337 | T | 97.3 | Very high | 96.2 | Very high | 87 Ų | 87 | 43 Ų | 43 | 53% | 0.534 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 167.1 | -179.5 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | F325 V335 Y390 | F325-T337 HydrophobicContact CB-CG2 4.45Å; V335-T337 HydrophobicContact CG1-CG2 4.32Å; T337-Y390 CarbonylContact O-C 3.24Å; T337-Y390 WeakPolarHBondContact O-CA 3.48Å; T337-Y390 VanDerWaalsContact O-O 3.08Å |
| 338 | H | 95.9 | Very high | 96.2 | Very high | 67 Ų | 67 | 43 Ų | 43 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | trans | -56.8 | 150.2 | -179.3 | 73.1 | -80.1 | 0 | 0 | 0 | 113.2 | D322 Y345 T389 Y390 | D322-H338 PolarHBondContact O-ND1 2.68Å; D322-H338 IonicContact OD2-CE1 3.24Å; H338-Y345 HydrophobicContact CB-CD1 4.45Å; H338-Y345 HydrophobicContact CB-CE1 3.71Å; H338-T389 CarbonylContact C-O 3.52Å; H338-T389 WeakPolarHBondContact CA-O 2.95Å; H338-Y390 HydrophobicContact CB-CE1 4.5Å | ||
| 339 | T | 96.6 | Very high | 96.1 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 39% | 0.393 | 24% | 0.239 | S | C | . | . | trans | -93 | -16.7 | 177 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | Y341 T388 T389 N391 | T339-Y341 PolarHBondContact O-N 3.35Å; T339-Y341 VanDerWaalsContact OG1-CB 3.28Å; T339-Y341 WeakPolarHBondContact OG1-CB 3.17Å; T339-Y341 PolarHBondContact OG1-N 3.21Å; T339-Y341 VanDerWaalsContact OG1-N 3.15Å; T339-T388 WeakPolarHBondContact CG2-O 3.39Å; T339-T388 PolarHBondContact OG1-O 2.93Å; T339-T389 PolarHBondContact N-O 2.81Å; T339-T389 PolarHBondContact OG1-O 3.18Å; T339-N391 HydrophobicContact CG2-CB 3.62Å | ||
| 340 | G | 95.4 | Very high | 96 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 58% | 0.577 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 76.6 | 5.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 341 | Y | 95.9 | Very high | 95.8 | Very high | 180 Ų | 180 | 49.1 Ų | 49.1 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -74.1 | -35.1 | -178.8 | -176.4 | -98.4 | 0 | 0 | 0 | 113.3 | T339 | T339-Y341 PolarHBondContact O-N 3.35Å; T339-Y341 VanDerWaalsContact OG1-CB 3.28Å; T339-Y341 WeakPolarHBondContact OG1-CB 3.17Å; T339-Y341 PolarHBondContact OG1-N 3.21Å; T339-Y341 VanDerWaalsContact OG1-N 3.15Å |
| 342 | N | 96.2 | Very high | 95.6 | Very high | 30 Ų | 30 | 49.9 Ų | 49.9 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | trans | -152.2 | 175.8 | 177 | 63.2 | 48.1 | 0 | 0 | 0 | 110.1 | H344 T388 T389 | N342-H344 WeakPolarHBondContact OD1-CB 3.31Å; N342-H344 PolarHBondContact OD1-N 3.46Å; N342-H344 VanDerWaalsContact OD1-N 3.12Å; N342-T388 PolarHBondContact ND2-OG1 3.35Å; N342-T389 PolarHBondContact ND2-OG1 2.97Å; N342-T389 WeakPolarHBondContact OD1-CB 3.47Å; N342-T389 WeakPolarHBondContact OD1-CG2 3.3Å; N342-T389 PolarHBondContact OD1-OG1 3.1Å | ||
| 343 | D | 96.8 | Very high | 95.4 | Very high | 107 Ų | 107 | 56.2 Ų | 56.2 | 57% | 0.572 | 31% | 0.305 | S | S | * | . | trans | -107.7 | 23.1 | 179.8 | 59 | -6.1 | 0 | 0 | 0 | 112.9 | Y345 | D343-Y345 HydrophobicContact CB-CD2 4.43Å; D343-Y345 HydrophobicContact CB-CE2 3.89Å; D343-Y345 WeakPolarHBondContact O-CD2 3.3Å; D343-Y345 PolarHBondContact O-N 3.41Å | ||
| 344 | H | 97.3 | Very high | 95.1 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | trans | -82.1 | 51.7 | -177 | -61.9 | 169.9 | 0 | 0 | 0 | 112.8 | F318 N342 G362 G363 | F318-H344 VanDerWaalsContact CD1-CA 3.49Å; F318-H344 HydrophobicContact CD1-CB 3.6Å; F318-H344 HydrophobicContact CD2-CB 4.23Å; F318-H344 AromaticContact CD2-CD2 3.56Å; F318-H344 AromaticContact CD2-CG 3.86Å; F318-H344 HydrophobicContact CE1-CB 3.6Å; F318-H344 HydrophobicContact CE2-CB 4.27Å; F318-H344 AromaticContact CE2-CD2 3.92Å; F318-H344 AromaticContact CE2-CG 3.86Å; F318-H344 HydrophobicContact CG-CB 3.92Å; F318-H344 AromaticContact CG-CD2 3.86Å; F318-H344 HydrophobicContact CZ-CB 3.97Å; F318-H344 AromaticContact CZ-CG 4Å; N342-H344 WeakPolarHBondContact OD1-CB 3.31Å; N342-H344 PolarHBondContact OD1-N 3.46Å; N342-H344 VanDerWaalsContact OD1-N 3.12Å; H344-G362 WeakPolarHBondContact O-CA 3.47Å; H344-G362 PolarHBondContact O-N 3.44Å; H344-G363 WeakPolarHBondContact CB-O 3.37Å; H344-G363 PolarHBondContact ND1-O 3.13Å | ||
| 345 | Y | 98.1 | Very high | 94.9 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 11% | 0.106 | 35% | 0.348 | C | S | . | . | trans | -69.3 | -56.2 | -167.9 | -57.4 | -64.1 | 0 | 0 | 0 | 113 | D321 D322 H338 D343 M361 G362 T389 Y390 | D321-Y345 VanDerWaalsContact C-CD2 3.47Å; D321-Y345 VanDerWaalsContact C-CE2 3.49Å; D321-Y345 WeakPolarHBondContact O-CD1 3.32Å; D321-Y345 WeakPolarHBondContact O-CD2 3.4Å; D321-Y345 VanDerWaalsContact O-CG 3.24Å; D322-Y345 HydrophobicContact CB-CE1 4.48Å; H338-Y345 HydrophobicContact CB-CD1 4.45Å; H338-Y345 HydrophobicContact CB-CE1 3.71Å; D343-Y345 HydrophobicContact CB-CD2 4.43Å; D343-Y345 HydrophobicContact CB-CE2 3.89Å; D343-Y345 WeakPolarHBondContact O-CD2 3.3Å; D343-Y345 PolarHBondContact O-N 3.41Å; Y345-M361 VanDerWaalsContact O-CA 3.29Å; Y345-M361 WeakPolarHBondContact O-CA 3.27Å; Y345-G362 PolarHBondContact O-N 2.9Å; Y345-T389 HydrophobicContact CD1-CG2 3.83Å; Y345-T389 HydrophobicContact CE1-CG2 4.17Å; Y345-Y390 WeakPolarHBondContact CA-OH 3.09Å; Y345-Y390 WeakPolarHBondContact CB-OH 3.19Å; Y345-Y390 HydrophobicContact CD1-CE1 4.2Å; Y345-Y390 PolarHBondContact O-OH 3.03Å | ||
| 346 | M | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.7 | -179.3 | 50.1 | 177.9 | -59 | 0 | 0 | 110.6 | A308 W312 F318 Q319 G360 M361 | A308-M346 HydrophobicContact CB-CE 3.76Å; A308-M346 HydrophobicContact CB-SD 3.81Å; W312-M346 HydrophobicContact CD2-CE 3.38Å; W312-M346 HydrophobicContact CE3-CE 3.23Å; W312-M346 HydrophobicContact CG-CE 4Å; W312-M346 HydrophobicContact CH2-CB 3.83Å; W312-M346 HydrophobicContact CH2-CE 3.93Å; W312-M346 HydrophobicContact CZ2-CE 4.05Å; W312-M346 HydrophobicContact CZ3-CB 3.74Å; W312-M346 HydrophobicContact CZ3-CE 3.54Å; F318-M346 CarbonylContact C-O 3.43Å; F318-M346 WeakPolarHBondContact CA-O 3.47Å; Q319-M346 HydrophobicContact CB-CG 4.48Å; Q319-M346 HydrophobicContact CG-CB 4.5Å; Q319-M346 HydrophobicContact CG-CE 3.91Å; Q319-M346 HydrophobicContact CG-CG 3.59Å; Q319-M346 HydrophobicContact CG-SD 4.05Å; Q319-M346 PolarHBondContact N-O 3.01Å; Q319-M346 WeakPolarHBondContact O-CG 3.28Å; Q319-M346 PolarHBondContact O-N 3.03Å; M346-G360 CarbonylContact C-O 3.6Å; M346-G360 WeakPolarHBondContact CA-O 3.24Å; M346-M361 HydrophobicContact CB-CG 4.32Å |
| 347 | Y | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 130.8 | -173.8 | 175.4 | -88.8 | 0 | 0 | 0 | 108.9 | F318 N349 I355 P356 L359 G360 H365 F368 W371 | F318-Y347 HydrophobicContact CD1-CD2 4.4Å; F318-Y347 HydrophobicContact CE1-CD2 4.39Å; F318-Y347 HydrophobicContact CE1-CG 4.45Å; F318-Y347 HydrophobicContact CZ-CD2 4.5Å; Y347-N349 HydrophobicContact CE1-CB 3.64Å; Y347-N349 HydrophobicContact CE2-CB 4.28Å; Y347-N349 VanDerWaalsContact CZ-CB 3.44Å; Y347-N349 WeakPolarHBondContact OH-CB 3.46Å; Y347-N349 PolarHBondContact OH-ND2 3.2Å; Y347-I355 WeakPolarHBondContact OH-CG2 3.12Å; Y347-P356 WeakPolarHBondContact CE1-O 3.42Å; Y347-P356 PolarHBondContact OH-O 2.93Å; Y347-L359 CarbonylContact O-C 3.53Å; Y347-L359 WeakPolarHBondContact O-CA 3.36Å; Y347-G360 PolarHBondContact N-O 3.5Å; Y347-G360 PolarHBondContact O-N 3Å; Y347-H365 AromaticContact CE2-NE2 3.46Å; Y347-H365 WeakPolarHBondContact CE2-NE2 3.46Å; Y347-H365 AromaticContact CZ-NE2 3.99Å; Y347-F368 HydrophobicContact CD1-CE1 4.33Å; Y347-F368 HydrophobicContact CD1-CZ 4.02Å; Y347-F368 HydrophobicContact CE1-CZ 4.47Å; Y347-F368 HydrophobicContact CG-CE1 4.14Å; Y347-F368 HydrophobicContact CG-CZ 4.15Å; Y347-W371 HydrophobicContact CD1-CH2 4.32Å; Y347-W371 AromaticContact CD1-CZ3 3.71Å; Y347-W371 HydrophobicContact CD1-CZ3 3.71Å; Y347-W371 AromaticContact CE1-CH2 3.95Å; Y347-W371 HydrophobicContact CE1-CH2 3.95Å; Y347-W371 AromaticContact CE1-CZ3 3.8Å; Y347-W371 HydrophobicContact CE1-CZ3 3.8Å |
| 348 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 120.1 | 172.2 | 176 | 69.1 | 0 | 0 | 0 | 109.3 | F279 I286 W312 V314 K315 G358 L359 | F279-L348 HydrophobicContact CE1-CD1 4.32Å; F279-L348 HydrophobicContact CE2-CD1 4.45Å; F279-L348 HydrophobicContact CZ-CD1 3.62Å; I286-L348 HydrophobicContact CD1-CD2 4.45Å; W312-L348 HydrophobicContact CB-CD2 3.76Å; W312-L348 HydrophobicContact CE3-CB 3.69Å; W312-L348 HydrophobicContact CE3-CD2 4.36Å; W312-L348 HydrophobicContact CG-CD2 4.44Å; W312-L348 HydrophobicContact CZ3-CB 4.21Å; V314-L348 WeakPolarHBondContact CA-O 3.32Å; V314-L348 HydrophobicContact CG2-CD2 3.91Å; V314-L348 HydrophobicContact CG2-CG 4.21Å; K315-L348 PolarHBondContact N-O 2.97Å; L348-G358 WeakPolarHBondContact CA-O 3.48Å; L348-L359 HydrophobicContact CD1-CB 4Å; L348-L359 HydrophobicContact CD1-CG 4.45Å |
| 349 | N | 96.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 151 | -179.7 | -168.9 | 26.7 | 0 | 0 | 0 | 111.5 | Y347 Q352 P356 N357 G358 | Y347-N349 HydrophobicContact CE1-CB 3.64Å; Y347-N349 HydrophobicContact CE2-CB 4.28Å; Y347-N349 VanDerWaalsContact CZ-CB 3.44Å; Y347-N349 WeakPolarHBondContact OH-CB 3.46Å; Y347-N349 PolarHBondContact OH-ND2 3.2Å; N349-Q352 VanDerWaalsContact ND2-CG 3.3Å; N349-Q352 WeakPolarHBondContact ND2-CG 3.39Å; N349-Q352 VanDerWaalsContact OD1-CG 3.22Å; N349-Q352 WeakPolarHBondContact OD1-CG 3.48Å; N349-P356 PolarHBondContact ND2-O 3.3Å; N349-N357 CarbonylContact O-C 3.42Å; N349-N357 WeakPolarHBondContact O-CA 3.23Å; N349-G358 PolarHBondContact N-O 3.06Å; N349-G358 PolarHBondContact O-N 2.96Å |
| 350 | H | 93.3 | Very high | 94.9 | Very high | 72 Ų | 72 | 53 Ų | 53 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | trans | -153.8 | 143.4 | -176.9 | -173 | -131.8 | 0 | 0 | 0 | 110.1 | F279 V314 Q352 N357 | F279-H350 AromaticContact CD1-CD2 3.92Å; F279-H350 HydrophobicContact CE1-CB 4.29Å; V314-H350 HydrophobicContact CG1-CB 3.9Å; H350-Q352 VanDerWaalsContact C-N 3.34Å; H350-Q352 PolarHBondContact O-N 2.77Å; H350-N357 VanDerWaalsContact CA-OD1 3.31Å; H350-N357 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 351 | G | 89.7 | Confident | 95.1 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 66% | 0.66 | 26% | 0.263 | S | S | * | . | S | Bend | trans | 74.2 | 11.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N357 | G351-N357 PolarHBondContact N-OD1 3.09Å; G351-N357 VanDerWaalsContact N-OD1 3.09Å |
| 352 | Q | 88.7 | Confident | 95.1 | Very high | 85 Ų | 85 | 41.7 Ų | 41.7 | 40% | 0.397 | 23% | 0.229 | S | C | . | . | trans | -93.2 | 146.4 | 178.1 | -63 | -60.5 | -34.2 | 0 | 0 | 112.2 | N349 H350 I355 N357 | N349-Q352 VanDerWaalsContact ND2-CG 3.3Å; N349-Q352 WeakPolarHBondContact ND2-CG 3.39Å; N349-Q352 VanDerWaalsContact OD1-CG 3.22Å; N349-Q352 WeakPolarHBondContact OD1-CG 3.48Å; H350-Q352 VanDerWaalsContact C-N 3.34Å; H350-Q352 PolarHBondContact O-N 2.77Å; Q352-I355 HydrophobicContact CB-CB 4.4Å; Q352-N357 PolarHBondContact N-OD1 2.72Å; Q352-N357 PolarHBondContact O-ND2 3.05Å | ||
| 353 | Q | 86.6 | Confident | 95 | Very high | 197 Ų | 197 | 40.4 Ų | 40.4 | 92% | 0.921 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -87.8 | -35.7 | -179.2 | -66.5 | -176 | 4 | 0 | 0 | 113.4 | ||
| 354 | T | 88.2 | Confident | 94.9 | Very high | 128 Ų | 128 | 40.3 Ų | 40.3 | 79% | 0.785 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -106.7 | -14.1 | -168.6 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 355 | I | 91.8 | Very high | 94.8 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 26% | 0.256 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -118.5 | 139.5 | -175.5 | -53.9 | -179.4 | 0 | 0 | 0 | 107.9 | P316 Y347 Q352 N357 | P316-I355 HydrophobicContact CB-CD1 3.55Å; Y347-I355 WeakPolarHBondContact OH-CG2 3.12Å; Q352-I355 HydrophobicContact CB-CB 4.4Å; I355-N357 PolarHBondContact O-N 3.47Å |
| 356 | P | 94.6 | Very high | 94.5 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 21% | 0.208 | 24% | 0.241 | C | C | . | . | trans | -53.3 | 133 | -177.5 | -28.4 | 35.4 | 0 | 0 | 0 | 113.3 | Y347 N349 H365 W371 | Y347-P356 WeakPolarHBondContact CE1-O 3.42Å; Y347-P356 PolarHBondContact OH-O 2.93Å; N349-P356 PolarHBondContact ND2-O 3.3Å; P356-H365 HydrophobicContact CG-CB 4.3Å; P356-W371 HydrophobicContact CB-CH2 3.73Å; P356-W371 HydrophobicContact CB-CZ2 4.07Å | ||
| 357 | N | 97.2 | Very high | 94.4 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.171 | 27% | 0.266 | C | S | . | . | trans | -98.3 | 129.7 | 172.9 | -60.7 | -62.9 | 0 | 0 | 0 | 109.2 | N349 H350 G351 Q352 I355 W371 V374 | N349-N357 CarbonylContact O-C 3.42Å; N349-N357 WeakPolarHBondContact O-CA 3.23Å; H350-N357 VanDerWaalsContact CA-OD1 3.31Å; H350-N357 WeakPolarHBondContact CA-OD1 3.37Å; G351-N357 PolarHBondContact N-OD1 3.09Å; G351-N357 VanDerWaalsContact N-OD1 3.09Å; Q352-N357 PolarHBondContact N-OD1 2.72Å; Q352-N357 PolarHBondContact O-ND2 3.05Å; I355-N357 PolarHBondContact O-N 3.47Å; N357-W371 WeakPolarHBondContact O-CZ2 3.48Å; N357-V374 HydrophobicContact CB-CB 3.78Å; N357-V374 HydrophobicContact CB-CG1 4.03Å; N357-V374 HydrophobicContact CB-CG2 4.04Å; N357-V374 WeakPolarHBondContact O-CB 3.42Å; N357-V374 PolarHBondContact O-N 3.1Å | ||
| 358 | G | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.4 | -177.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112 | L348 N349 W371 V372 | L348-G358 WeakPolarHBondContact CA-O 3.48Å; N349-G358 PolarHBondContact N-O 3.06Å; N349-G358 PolarHBondContact O-N 2.96Å; G358-W371 VanDerWaalsContact CA-CH2 3.42Å; G358-V372 CarbonylContact C-O 3.56Å; G358-V372 WeakPolarHBondContact CA-O 3.4Å |
| 359 | L | 98.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.4 | 174.9 | -177.8 | 160 | 0 | 0 | 0 | 108.1 | F279 L282 I286 W312 Y347 L348 W371 V372 | F279-L359 HydrophobicContact CE2-CB 4.11Å; F279-L359 HydrophobicContact CZ-CB 4.44Å; L282-L359 HydrophobicContact CD2-CD1 4.43Å; I286-L359 HydrophobicContact CD1-CD1 3.89Å; W312-L359 HydrophobicContact CD2-CD1 4.44Å; W312-L359 HydrophobicContact CE3-CD1 4.41Å; W312-L359 HydrophobicContact CE3-CG 4.42Å; W312-L359 HydrophobicContact CH2-CD1 3.94Å; W312-L359 HydrophobicContact CH2-CD2 3.72Å; W312-L359 HydrophobicContact CH2-CG 3.7Å; W312-L359 HydrophobicContact CZ2-CD1 3.98Å; W312-L359 HydrophobicContact CZ2-CD2 4.26Å; W312-L359 HydrophobicContact CZ2-CG 4.25Å; W312-L359 HydrophobicContact CZ3-CD1 4.15Å; W312-L359 HydrophobicContact CZ3-CD2 4.26Å; W312-L359 HydrophobicContact CZ3-CG 3.79Å; Y347-L359 CarbonylContact O-C 3.53Å; Y347-L359 WeakPolarHBondContact O-CA 3.36Å; L348-L359 HydrophobicContact CD1-CB 4Å; L348-L359 HydrophobicContact CD1-CG 4.45Å; L359-W371 CarbonylContact O-C 3.59Å; L359-W371 WeakPolarHBondContact O-CA 3.4Å; L359-V372 HydrophobicContact CB-CB 4.33Å; L359-V372 PolarHBondContact N-O 3.19Å; L359-V372 PolarHBondContact O-N 2.77Å |
| 360 | G | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M346 Y347 L370 | M346-G360 CarbonylContact C-O 3.6Å; M346-G360 WeakPolarHBondContact CA-O 3.24Å; Y347-G360 PolarHBondContact N-O 3.5Å; Y347-G360 PolarHBondContact O-N 3Å; G360-L370 CarbonylContact C-O 3.57Å; G360-L370 VanDerWaalsContact CA-O 3.31Å; G360-L370 WeakPolarHBondContact CA-O 3Å |
| 361 | M | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 123.9 | 170.5 | -68.7 | -175.1 | 72.8 | 0 | 0 | 110.7 | F307 W312 L326 Y345 M346 G369 L370 Y390 | F307-M361 VanDerWaalsContact O-CE 3.24Å; F307-M361 WeakPolarHBondContact O-CE 3.37Å; W312-M361 HydrophobicContact CH2-CG 3.94Å; W312-M361 HydrophobicContact CH2-SD 4.19Å; W312-M361 HydrophobicContact CZ2-SD 4.41Å; L326-M361 HydrophobicContact CD2-CB 3.79Å; L326-M361 HydrophobicContact CD2-CE 4.33Å; L326-M361 HydrophobicContact CD2-SD 4.25Å; Y345-M361 VanDerWaalsContact O-CA 3.29Å; Y345-M361 WeakPolarHBondContact O-CA 3.27Å; M346-M361 HydrophobicContact CB-CG 4.32Å; M361-G369 PolarHBondContact O-N 3.46Å; M361-L370 HydrophobicContact CB-CB 4.39Å; M361-L370 PolarHBondContact N-O 3.15Å; M361-L370 PolarHBondContact O-N 3.15Å; M361-L370 VanDerWaalsContact O-N 3.09Å; M361-Y390 HydrophobicContact CB-CE2 4.4Å |
| 362 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69 | 147 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H344 Y345 F368 G369 C387 | H344-G362 WeakPolarHBondContact O-CA 3.47Å; H344-G362 PolarHBondContact O-N 3.44Å; Y345-G362 PolarHBondContact O-N 2.9Å; G362-F368 CarbonylContact O-C 2.91Å; G362-F368 WeakPolarHBondContact O-CA 3.4Å; G362-G369 PolarHBondContact O-N 2.89Å; G362-C387 VanDerWaalsContact C-SG 3.54Å |
| 363 | G | 94.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.8 | -129.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H344 Y367 C387 T389 | H344-G363 WeakPolarHBondContact CB-O 3.37Å; H344-G363 PolarHBondContact ND1-O 3.13Å; G363-Y367 WeakPolarHBondContact CA-O 3.24Å; G363-C387 PolarHBondContact N-SG 3.28Å; G363-T389 PolarHBondContact N-OG1 2.91Å |
| 364 | Q | 94.3 | Very high | 96 | Very high | 105 Ų | 105 | 35.2 Ų | 35.2 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 170.8 | 176.6 | 62.4 | -177.2 | 22.5 | 0 | 0 | 109.6 | N366 Y367 | Q364-N366 PolarHBondContact O-N 3.24Å; Q364-Y367 HydrophobicContact CG-CD2 4.4Å; Q364-Y367 PolarHBondContact N-O 2.94Å; Q364-Y367 CarbonylContact O-C 3.53Å; Q364-Y367 VanDerWaalsContact O-C 3.24Å; Q364-Y367 WeakPolarHBondContact O-CA 3.49Å; Q364-Y367 PolarHBondContact O-N 2.94Å |
| 365 | H | 94.1 | Very high | 96.4 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 32% | 0.319 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 130.6 | 174.9 | -62.9 | 114.3 | 0 | 0 | 0 | 111.5 | F318 Y347 P356 Y367 | F318-H365 AromaticContact CE2-CE1 3.84Å; Y347-H365 AromaticContact CE2-NE2 3.46Å; Y347-H365 WeakPolarHBondContact CE2-NE2 3.46Å; Y347-H365 AromaticContact CZ-NE2 3.99Å; P356-H365 HydrophobicContact CG-CB 4.3Å; H365-Y367 PolarHBondContact O-N 2.89Å |
| 366 | N | 91.7 | Very high | 96.6 | Very high | 90 Ų | 90 | 32.7 Ų | 32.7 | 48% | 0.481 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 0.5 | -175.6 | -51.2 | -54.4 | 0 | 0 | 0 | 116.6 | Q364 R382 | Q364-N366 PolarHBondContact O-N 3.24Å; N366-R382 WeakPolarHBondContact O-CD 3.5Å; N366-R382 PolarHBondContact O-NH1 3.38Å |
| 367 | Y | 95.4 | Very high | 96.7 | Very high | 138 Ų | 138 | 32 Ų | 32 | 54% | 0.541 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 55 | 178.9 | -67.6 | -89.4 | 0 | 0 | 0 | 110.1 | G363 Q364 H365 R382 | G363-Y367 WeakPolarHBondContact CA-O 3.24Å; Q364-Y367 HydrophobicContact CG-CD2 4.4Å; Q364-Y367 PolarHBondContact N-O 2.94Å; Q364-Y367 CarbonylContact O-C 3.53Å; Q364-Y367 VanDerWaalsContact O-C 3.24Å; Q364-Y367 WeakPolarHBondContact O-CA 3.49Å; Q364-Y367 PolarHBondContact O-N 2.94Å; H365-Y367 PolarHBondContact O-N 2.89Å; Y367-R382 HydrophobicContact CD1-CB 4.17Å |
| 368 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 148.8 | -179.9 | -63.4 | -90.5 | 0 | 0 | 0 | 111.6 | F318 Y347 G362 L370 W371 H380 R382 | F318-F368 HydrophobicContact CE1-CD1 4.4Å; F318-F368 AromaticContact CE1-CE1 3.63Å; F318-F368 HydrophobicContact CE1-CE1 3.63Å; F318-F368 HydrophobicContact CE1-CZ 4.48Å; F318-F368 AromaticContact CZ-CE1 3.8Å; F318-F368 HydrophobicContact CZ-CE1 3.8Å; F318-F368 HydrophobicContact CZ-CZ 4.29Å; Y347-F368 HydrophobicContact CD1-CE1 4.33Å; Y347-F368 HydrophobicContact CD1-CZ 4.02Å; Y347-F368 HydrophobicContact CE1-CZ 4.47Å; Y347-F368 HydrophobicContact CG-CE1 4.14Å; Y347-F368 HydrophobicContact CG-CZ 4.15Å; G362-F368 CarbonylContact O-C 2.91Å; G362-F368 WeakPolarHBondContact O-CA 3.4Å; F368-L370 VanDerWaalsContact C-N 3.26Å; F368-L370 WeakPolarHBondContact CB-O 3.42Å; F368-W371 HydrophobicContact CB-CB 4.04Å; F368-W371 HydrophobicContact CD1-CE3 4.46Å; F368-W371 HydrophobicContact CD2-CB 4.23Å; F368-W371 AromaticContact CD2-CD2 3.91Å; F368-W371 HydrophobicContact CD2-CD2 3.91Å; F368-W371 AromaticContact CD2-CE3 3.35Å; F368-W371 HydrophobicContact CD2-CE3 3.35Å; F368-W371 HydrophobicContact CD2-CG 4.32Å; F368-W371 AromaticContact CD2-CZ3 3.97Å; F368-W371 HydrophobicContact CD2-CZ3 3.97Å; F368-W371 HydrophobicContact CE1-CE3 4.41Å; F368-W371 HydrophobicContact CE1-CZ3 4.43Å; F368-W371 HydrophobicContact CE2-CD2 4.11Å; F368-W371 AromaticContact CE2-CE3 3.31Å; F368-W371 HydrophobicContact CE2-CE3 3.31Å; F368-W371 HydrophobicContact CE2-CH2 4.24Å; F368-W371 AromaticContact CE2-CZ3 3.4Å; F368-W371 HydrophobicContact CE2-CZ3 3.4Å; F368-W371 HydrophobicContact CG-CB 4.44Å; F368-W371 AromaticContact CG-CE3 3.96Å; F368-W371 HydrophobicContact CG-CE3 3.96Å; F368-W371 AromaticContact CZ-CE3 3.88Å; F368-W371 HydrophobicContact CZ-CE3 3.88Å; F368-W371 AromaticContact CZ-CZ3 3.67Å; F368-W371 HydrophobicContact CZ-CZ3 3.67Å; F368-H380 AromaticContact CD2-NE2 3.74Å; F368-H380 PolarHBondContact N-NE2 3.39Å; F368-R382 PolarHBondContact O-N 2.77Å |
| 369 | G | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -37.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M361 G362 S381 | M361-G369 PolarHBondContact O-N 3.46Å; G362-G369 PolarHBondContact O-N 2.89Å; G369-S381 WeakPolarHBondContact O-CA 3.46Å; G369-S381 WeakPolarHBondContact O-CB 2.99Å; G369-S381 PolarHBondContact O-OG 3.27Å |
| 370 | L | 98.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 126.2 | 169.1 | 173.4 | 61 | 0 | 0 | 0 | 109.6 | L296 F304 L326 G360 M361 F368 F401 | L296-L370 HydrophobicContact CD2-CD1 4.2Å; F304-L370 HydrophobicContact CD2-CD1 3.93Å; F304-L370 HydrophobicContact CE2-CD1 3.63Å; L326-L370 HydrophobicContact CD2-CB 3.83Å; L326-L370 HydrophobicContact CD2-CD2 4.13Å; G360-L370 CarbonylContact C-O 3.57Å; G360-L370 VanDerWaalsContact CA-O 3.31Å; G360-L370 WeakPolarHBondContact CA-O 3Å; M361-L370 HydrophobicContact CB-CB 4.39Å; M361-L370 PolarHBondContact N-O 3.15Å; M361-L370 PolarHBondContact O-N 3.15Å; M361-L370 VanDerWaalsContact O-N 3.09Å; F368-L370 VanDerWaalsContact C-N 3.26Å; F368-L370 WeakPolarHBondContact CB-O 3.42Å; L370-F401 HydrophobicContact CD1-CZ 4.13Å |
| 371 | W | 98.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134.2 | 174.2 | 178.1 | -105.8 | 0 | 0 | 0 | 111.2 | Y347 P356 N357 G358 L359 F368 D373 G379 H380 | Y347-W371 HydrophobicContact CD1-CH2 4.32Å; Y347-W371 AromaticContact CD1-CZ3 3.71Å; Y347-W371 HydrophobicContact CD1-CZ3 3.71Å; Y347-W371 AromaticContact CE1-CH2 3.95Å; Y347-W371 HydrophobicContact CE1-CH2 3.95Å; Y347-W371 AromaticContact CE1-CZ3 3.8Å; Y347-W371 HydrophobicContact CE1-CZ3 3.8Å; P356-W371 HydrophobicContact CB-CH2 3.73Å; P356-W371 HydrophobicContact CB-CZ2 4.07Å; N357-W371 WeakPolarHBondContact O-CZ2 3.48Å; G358-W371 VanDerWaalsContact CA-CH2 3.42Å; L359-W371 CarbonylContact O-C 3.59Å; L359-W371 WeakPolarHBondContact O-CA 3.4Å; F368-W371 HydrophobicContact CB-CB 4.04Å; F368-W371 HydrophobicContact CD1-CE3 4.46Å; F368-W371 HydrophobicContact CD2-CB 4.23Å; F368-W371 AromaticContact CD2-CD2 3.91Å; F368-W371 HydrophobicContact CD2-CD2 3.91Å; F368-W371 AromaticContact CD2-CE3 3.35Å; F368-W371 HydrophobicContact CD2-CE3 3.35Å; F368-W371 HydrophobicContact CD2-CG 4.32Å; F368-W371 AromaticContact CD2-CZ3 3.97Å; F368-W371 HydrophobicContact CD2-CZ3 3.97Å; F368-W371 HydrophobicContact CE1-CE3 4.41Å; F368-W371 HydrophobicContact CE1-CZ3 4.43Å; F368-W371 HydrophobicContact CE2-CD2 4.11Å; F368-W371 AromaticContact CE2-CE3 3.31Å; F368-W371 HydrophobicContact CE2-CE3 3.31Å; F368-W371 HydrophobicContact CE2-CH2 4.24Å; F368-W371 AromaticContact CE2-CZ3 3.4Å; F368-W371 HydrophobicContact CE2-CZ3 3.4Å; F368-W371 HydrophobicContact CG-CB 4.44Å; F368-W371 AromaticContact CG-CE3 3.96Å; F368-W371 HydrophobicContact CG-CE3 3.96Å; F368-W371 AromaticContact CZ-CE3 3.88Å; F368-W371 HydrophobicContact CZ-CE3 3.88Å; F368-W371 AromaticContact CZ-CZ3 3.67Å; F368-W371 HydrophobicContact CZ-CZ3 3.67Å; W371-D373 PolarHBondContact NE1-OD2 3Å; W371-G379 CarbonylContact O-C 3.44Å; W371-G379 WeakPolarHBondContact O-CA 3.42Å; W371-H380 WeakPolarHBondContact CB-CE1 3.38Å; W371-H380 WeakPolarHBondContact CB-NE2 3.26Å; W371-H380 WeakPolarHBondContact CB-O 3.32Å; W371-H380 AromaticContact CD1-CE1 3.33Å; W371-H380 AromaticContact CD1-ND1 3.21Å; W371-H380 AromaticContact CD2-CE1 3.97Å; W371-H380 AromaticContact CG-CE1 3.25Å; W371-H380 AromaticContact CG-ND1 3.51Å; W371-H380 AromaticContact CG-NE2 3.84Å; W371-H380 PolarHBondContact N-O 2.57Å; W371-H380 AromaticContact NE1-CE1 3.98Å; W371-H380 PolarHBondContact O-N 3.2Å; W371-H380 VanDerWaalsContact O-N 3.11Å |
| 372 | V | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122 | 165.2 | 172.7 | 0 | 0 | 0 | 0 | 108 | F279 L296 G358 L359 F403 M406 | F279-V372 HydrophobicContact CD2-CG1 4.45Å; L296-V372 HydrophobicContact CD2-CG2 3.84Å; G358-V372 CarbonylContact C-O 3.56Å; G358-V372 WeakPolarHBondContact CA-O 3.4Å; L359-V372 HydrophobicContact CB-CB 4.33Å; L359-V372 PolarHBondContact N-O 3.19Å; L359-V372 PolarHBondContact O-N 2.77Å; V372-F403 HydrophobicContact CB-CZ 4.46Å; V372-F403 HydrophobicContact CG1-CE1 4.19Å; V372-F403 HydrophobicContact CG1-CZ 3.69Å; V372-F403 HydrophobicContact CG2-CE1 4.23Å; V372-F403 HydrophobicContact CG2-CZ 4.08Å; V372-M406 HydrophobicContact CG2-CE 4.4Å; V372-M406 HydrophobicContact CG2-SD 4.31Å |
| 373 | D | 97.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 20% | 0.198 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 155.3 | -176.8 | -161.5 | -96.6 | 0 | 0 | 0 | 112.7 | W371 D375 F376 K378 | W371-D373 PolarHBondContact NE1-OD2 3Å; D373-D375 PolarHBondContact O-N 2.96Å; D373-D375 PolarHBondContact OD1-N 2.8Å; D373-D375 VanDerWaalsContact OD1-N 3.11Å; D373-F376 WeakPolarHBondContact O-CA 3.2Å; D373-F376 PolarHBondContact O-N 2.84Å; D373-K378 HydrophobicContact CB-CD 4.38Å; D373-K378 HydrophobicContact CB-CG 3.6Å; D373-K378 VanDerWaalsContact CB-O 3.3Å; D373-K378 WeakPolarHBondContact CB-O 3.28Å; D373-K378 PolarHBondContact N-O 3.04Å; D373-K378 WeakPolarHBondContact OD1-CE 3.35Å; D373-K378 IonicContact OD1-NZ 2.98Å |
| 374 | V | 97.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 26% | 0.255 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.6 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | F279 N357 F376 | F279-V374 HydrophobicContact CB-CG2 4.49Å; F279-V374 WeakPolarHBondContact CB-O 3.46Å; F279-V374 HydrophobicContact CD1-CB 4.37Å; F279-V374 HydrophobicContact CD1-CG2 3.89Å; F279-V374 HydrophobicContact CE1-CG2 4.47Å; F279-V374 HydrophobicContact CG-CG2 4.32Å; N357-V374 HydrophobicContact CB-CB 3.78Å; N357-V374 HydrophobicContact CB-CG1 4.03Å; N357-V374 HydrophobicContact CB-CG2 4.04Å; N357-V374 WeakPolarHBondContact O-CB 3.42Å; N357-V374 PolarHBondContact O-N 3.1Å; V374-F376 PolarHBondContact O-N 2.76Å |
| 375 | D | 95.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 47 Ų | 47 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -2.8 | 176.9 | -62.4 | -31 | 0 | 0 | 0 | 112.7 | D373 K378 | D373-D375 PolarHBondContact O-N 2.96Å; D373-D375 PolarHBondContact OD1-N 2.8Å; D373-D375 VanDerWaalsContact OD1-N 3.11Å; D375-K378 HydrophobicContact CB-CD 4.39Å; D375-K378 WeakPolarHBondContact OD2-CE 3.42Å; D375-K378 IonicContact OD2-NZ 3.64Å; D375-K378 PolarHBondContact OD2-NZ 3.25Å |
| 376 | F | 96.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 57.6 | 153.8 | -177.2 | -158.5 | -90.5 | 0 | 0 | 0 | 113.7 | F270 H277 F279 L282 D373 V374 K378 F403 M406 | F270-F376 HydrophobicContact CE1-CE2 4.02Å; F270-F376 AromaticContact CE1-CZ 3.79Å; F270-F376 HydrophobicContact CE1-CZ 3.79Å; F270-F376 AromaticContact CZ-CE2 3.96Å; F270-F376 HydrophobicContact CZ-CE2 3.96Å; F270-F376 AromaticContact CZ-CZ 3.81Å; F270-F376 HydrophobicContact CZ-CZ 3.81Å; H277-F376 HydrophobicContact CB-CD1 3.72Å; H277-F376 HydrophobicContact CB-CE1 3.96Å; H277-F376 AromaticContact ND1-CE1 3.87Å; F279-F376 HydrophobicContact CB-CB 4.35Å; F279-F376 HydrophobicContact CB-CD2 4.42Å; L282-F376 HydrophobicContact CB-CE2 4.26Å; L282-F376 HydrophobicContact CD2-CE2 4.14Å; D373-F376 WeakPolarHBondContact O-CA 3.2Å; D373-F376 PolarHBondContact O-N 2.84Å; V374-F376 PolarHBondContact O-N 2.76Å; F376-K378 PolarHBondContact O-N 2.75Å; F376-K378 VanDerWaalsContact O-N 3.1Å; F376-F403 HydrophobicContact CE1-CE2 4.02Å; F376-F403 HydrophobicContact CZ-CE2 4.02Å; F376-M406 HydrophobicContact CE2-SD 4.09Å; F376-M406 HydrophobicContact CZ-CB 4.27Å; F376-M406 HydrophobicContact CZ-SD 4.32Å |
| 377 | G | 96.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 42 Ų | 42 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 71.5 | 1.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q402 F403 | G377-Q402 CarbonylContact O-C 3.54Å; G377-Q402 VanDerWaalsContact O-CA 3.27Å; G377-Q402 WeakPolarHBondContact O-CA 3.44Å; G377-F403 VanDerWaalsContact C-CE1 3.48Å; G377-F403 WeakPolarHBondContact CA-O 3.41Å; G377-F403 PolarHBondContact O-N 3.31Å |
| 378 | K | 97.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 148 | 171 | 69.8 | -171 | -168.5 | -166.7 | 0 | 110.8 | D373 D375 F376 F401 | D373-K378 HydrophobicContact CB-CD 4.38Å; D373-K378 HydrophobicContact CB-CG 3.6Å; D373-K378 VanDerWaalsContact CB-O 3.3Å; D373-K378 WeakPolarHBondContact CB-O 3.28Å; D373-K378 PolarHBondContact N-O 3.04Å; D373-K378 WeakPolarHBondContact OD1-CE 3.35Å; D373-K378 IonicContact OD1-NZ 2.98Å; D375-K378 HydrophobicContact CB-CD 4.39Å; D375-K378 WeakPolarHBondContact OD2-CE 3.42Å; D375-K378 IonicContact OD2-NZ 3.64Å; D375-K378 PolarHBondContact OD2-NZ 3.25Å; F376-K378 PolarHBondContact O-N 2.75Å; F376-K378 VanDerWaalsContact O-N 3.1Å; K378-F401 WeakPolarHBondContact CA-O 3.11Å |
| 379 | G | 97.9 | Very high | 95 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 179.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W371 N400 F401 | W371-G379 CarbonylContact O-C 3.44Å; W371-G379 WeakPolarHBondContact O-CA 3.42Å; G379-N400 WeakPolarHBondContact O-CA 3.49Å; G379-F401 PolarHBondContact N-O 3.5Å; G379-F401 PolarHBondContact O-N 3.33Å |
| 380 | H | 98.1 | Very high | 95 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.2 | 170.5 | 65.7 | -105.1 | 0 | 0 | 0 | 112.5 | F368 W371 R382 E399 | F368-H380 AromaticContact CD2-NE2 3.74Å; F368-H380 PolarHBondContact N-NE2 3.39Å; W371-H380 WeakPolarHBondContact CB-CE1 3.38Å; W371-H380 WeakPolarHBondContact CB-NE2 3.26Å; W371-H380 WeakPolarHBondContact CB-O 3.32Å; W371-H380 AromaticContact CD1-CE1 3.33Å; W371-H380 AromaticContact CD1-ND1 3.21Å; W371-H380 AromaticContact CD2-CE1 3.97Å; W371-H380 AromaticContact CG-CE1 3.25Å; W371-H380 AromaticContact CG-ND1 3.51Å; W371-H380 AromaticContact CG-NE2 3.84Å; W371-H380 PolarHBondContact N-O 2.57Å; W371-H380 AromaticContact NE1-CE1 3.98Å; W371-H380 PolarHBondContact O-N 3.2Å; W371-H380 VanDerWaalsContact O-N 3.11Å; H380-R382 HydrophobicContact CB-CG 4.22Å; H380-E399 CarbonylContact C-O 3.59Å; H380-E399 WeakPolarHBondContact CA-O 3.39Å; H380-E399 WeakPolarHBondContact CB-O 3.33Å |
| 381 | S | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -126.2 | 87.1 | 169.4 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | G369 A383 L395 S396 E399 | G369-S381 WeakPolarHBondContact O-CA 3.46Å; G369-S381 WeakPolarHBondContact O-CB 2.99Å; G369-S381 PolarHBondContact O-OG 3.27Å; S381-A383 PolarHBondContact O-N 2.99Å; S381-L395 PolarHBondContact OG-N 3.26Å; S381-S396 VanDerWaalsContact CB-OG 3.28Å; S381-S396 WeakPolarHBondContact CB-OG 3.49Å; S381-E399 PolarHBondContact N-O 2.79Å | ||
| 382 | R | 94.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 42.5 Ų | 42.5 | 25% | 0.249 | 23% | 0.229 | C | C | . | . | trans | -97.9 | 83.8 | -173.1 | -79.1 | 176.7 | -177.5 | 170.4 | 9.9 | 110.1 | N366 Y367 F368 H380 E399 N400 | N366-R382 WeakPolarHBondContact O-CD 3.5Å; N366-R382 PolarHBondContact O-NH1 3.38Å; Y367-R382 HydrophobicContact CD1-CB 4.17Å; F368-R382 PolarHBondContact O-N 2.77Å; H380-R382 HydrophobicContact CB-CG 4.22Å; R382-E399 HydrophobicContact CG-CG 3.53Å; R382-E399 IonicContact NE-OE1 3.47Å; R382-E399 PolarHBondContact NE-OE1 2.81Å; R382-N400 PolarHBondContact NH2-OD1 3.33Å | ||
| 383 | A | 83.6 | Confident | 94.7 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 5% | 0.05 | 24% | 0.243 | C | C | . | . | trans | -125.5 | 57.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S381 P385 T386 C387 S392 P393 | S381-A383 PolarHBondContact O-N 2.99Å; A383-P385 CarbonylContact O-C 3.55Å; A383-T386 WeakPolarHBondContact O-CA 3.4Å; A383-T386 PolarHBondContact O-N 2.68Å; A383-T386 VanDerWaalsContact O-N 3.14Å; A383-C387 HydrophobicContact CB-CB 4.17Å; A383-S392 WeakPolarHBondContact CB-O 3.28Å; A383-P393 VanDerWaalsContact CB-C 3.5Å | ||
| 384 | K | 83.8 | Confident | 94.7 | Very high | 157 Ų | 157 | 46.2 Ų | 46.2 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -104.4 | 112.5 | 178.5 | -74.9 | 176.2 | 179.5 | 159.1 | 0 | 110.9 | E399 | K384-E399 WeakPolarHBondContact CE-OE2 3.31Å; K384-E399 IonicContact NZ-OE2 2.72Å; K384-E399 PolarHBondContact NZ-OE2 3.03Å |
| 385 | P | 84.8 | Confident | 94.7 | Very high | 123 Ų | 123 | 44.5 Ų | 44.5 | 80% | 0.799 | 24% | 0.239 | S | C | * | . | S | Bend | cis | -78.2 | -25.7 | -1.6 | 32.3 | -35 | 0 | 0 | 0 | 114.3 | A383 | A383-P385 CarbonylContact O-C 3.55Š|
| 386 | T | 93.7 | Very high | 94.7 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | trans | -148.6 | 161.3 | 172.2 | 54 | 0 | 0 | 0 | 0 | 110.1 | A383 N391 S392 | A383-T386 WeakPolarHBondContact O-CA 3.4Å; A383-T386 PolarHBondContact O-N 2.68Å; A383-T386 VanDerWaalsContact O-N 3.14Å; T386-N391 WeakPolarHBondContact CB-OD1 3.45Å; T386-N391 WeakPolarHBondContact CG2-OD1 3.46Å; T386-N391 PolarHBondContact OG1-OD1 2.98Å; T386-S392 CarbonylContact C-O 3.46Å; T386-S392 VanDerWaalsContact CA-O 3.3Å; T386-S392 WeakPolarHBondContact CA-O 3.48Å; T386-S392 WeakPolarHBondContact CB-O 3.43Å | ||
| 387 | C | 95.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | trans | -64.9 | 132.8 | 171.1 | 175.9 | 0 | 0 | 0 | 0 | 110 | G362 G363 A383 T389 N391 S392 | G362-C387 VanDerWaalsContact C-SG 3.54Å; G363-C387 PolarHBondContact N-SG 3.28Å; A383-C387 HydrophobicContact CB-CB 4.17Å; C387-T389 PolarHBondContact O-N 3.07Å; C387-N391 WeakPolarHBondContact O-CA 3.38Å; C387-N391 PolarHBondContact O-N 3.31Å; C387-S392 VanDerWaalsContact CB-OG 3.3Å; C387-S392 WeakPolarHBondContact CB-OG 3.21Å; C387-S392 PolarHBondContact N-O 3.23Å | ||
| 388 | T | 94.9 | Very high | 94.7 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -35.2 | -177.1 | 50.7 | 0 | 0 | 0 | 0 | 113.4 | T339 N342 | T339-T388 WeakPolarHBondContact CG2-O 3.39Å; T339-T388 PolarHBondContact OG1-O 2.93Å; N342-T388 PolarHBondContact ND2-OG1 3.35Å |
| 389 | T | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -40.3 | -177 | -51 | 0 | 0 | 0 | 0 | 112.7 | H338 T339 N342 Y345 G363 C387 | H338-T389 CarbonylContact C-O 3.52Å; H338-T389 WeakPolarHBondContact CA-O 2.95Å; T339-T389 PolarHBondContact N-O 2.81Å; T339-T389 PolarHBondContact OG1-O 3.18Å; N342-T389 PolarHBondContact ND2-OG1 2.97Å; N342-T389 WeakPolarHBondContact OD1-CB 3.47Å; N342-T389 WeakPolarHBondContact OD1-CG2 3.3Å; N342-T389 PolarHBondContact OD1-OG1 3.1Å; Y345-T389 HydrophobicContact CD1-CG2 3.83Å; Y345-T389 HydrophobicContact CE1-CG2 4.17Å; G363-T389 PolarHBondContact N-OG1 2.91Å; C387-T389 PolarHBondContact O-N 3.07Å |
| 390 | Y | 97.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -5.2 | -171.6 | -64.3 | -59.7 | 0 | 0 | 0 | 114.7 | C324 L326 Y336 T337 H338 Y345 M361 S392 | C324-Y390 HydrophobicContact CB-CE1 4.29Å; C324-Y390 WeakPolarHBondContact CB-OH 3.37Å; C324-Y390 VanDerWaalsContact O-CE1 3.28Å; C324-Y390 WeakPolarHBondContact O-CE1 3.43Å; L326-Y390 HydrophobicContact CB-CD2 4.46Å; L326-Y390 HydrophobicContact CD1-CD2 3.46Å; L326-Y390 VanDerWaalsContact CD1-CD2 3.46Å; L326-Y390 HydrophobicContact CD1-CE2 4.16Å; L326-Y390 HydrophobicContact CD1-CG 4.17Å; L326-Y390 HydrophobicContact CG-CD2 3.53Å; L326-Y390 HydrophobicContact CG-CE2 3.92Å; L326-Y390 HydrophobicContact CG-CG 4.1Å; Y336-Y390 WeakPolarHBondContact CB-O 3.1Å; T337-Y390 CarbonylContact O-C 3.24Å; T337-Y390 WeakPolarHBondContact O-CA 3.48Å; T337-Y390 VanDerWaalsContact O-O 3.08Å; H338-Y390 HydrophobicContact CB-CE1 4.5Å; Y345-Y390 WeakPolarHBondContact CA-OH 3.09Å; Y345-Y390 WeakPolarHBondContact CB-OH 3.19Å; Y345-Y390 HydrophobicContact CD1-CE1 4.2Å; Y345-Y390 PolarHBondContact O-OH 3.03Å; M361-Y390 HydrophobicContact CB-CE2 4.4Å; Y390-S392 PolarHBondContact O-N 2.9Å |
| 391 | N | 95.9 | Very high | 94.6 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | trans | 51.1 | 23.8 | -168.8 | -163.4 | 42.2 | 0 | 0 | 0 | 113.5 | T339 T386 C387 | T339-N391 HydrophobicContact CG2-CB 3.62Å; T386-N391 WeakPolarHBondContact CB-OD1 3.45Å; T386-N391 WeakPolarHBondContact CG2-OD1 3.46Å; T386-N391 PolarHBondContact OG1-OD1 2.98Å; C387-N391 WeakPolarHBondContact O-CA 3.38Å; C387-N391 PolarHBondContact O-N 3.31Å | ||
| 392 | S | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -70.7 | 145.3 | 175.7 | 68.6 | 0 | 0 | 0 | 0 | 109.6 | A383 T386 C387 Y390 | A383-S392 WeakPolarHBondContact CB-O 3.28Å; T386-S392 CarbonylContact C-O 3.46Å; T386-S392 VanDerWaalsContact CA-O 3.3Å; T386-S392 WeakPolarHBondContact CA-O 3.48Å; T386-S392 WeakPolarHBondContact CB-O 3.43Å; C387-S392 VanDerWaalsContact CB-OG 3.3Å; C387-S392 WeakPolarHBondContact CB-OG 3.21Å; C387-S392 PolarHBondContact N-O 3.23Å; Y390-S392 PolarHBondContact O-N 2.9Å | ||
| 393 | P | 96.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | trans | -72.4 | -174.5 | 163.6 | 36 | -35.3 | 0 | 0 | 0 | 109.6 | Y336 A383 L395 | Y336-P393 HydrophobicContact CE1-CG 4.08Å; Y336-P393 WeakPolarHBondContact OH-CD 3.35Å; Y336-P393 WeakPolarHBondContact OH-CG 2.99Å; A383-P393 VanDerWaalsContact CB-C 3.5Å; P393-L395 PolarHBondContact O-N 2.79Å | ||
| 394 | Q | 97.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | trans | -59.2 | 124.8 | 163.2 | -172.7 | -173.5 | -74.4 | 0 | 0 | 108.9 | S396 A397 | Q394-S396 WeakPolarHBondContact CG-O 3.39Å; Q394-S396 PolarHBondContact NE2-O 3.34Å; Q394-A397 VanDerWaalsContact NE2-C 3.25Å; Q394-A397 PolarHBondContact NE2-O 2.91Å | ||
| 395 | L | 97.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | trans | -87.9 | -33.9 | -177.5 | -60.1 | 177 | 0 | 0 | 0 | 112.7 | F304 L326 Y336 S381 P393 | F304-L395 HydrophobicContact CB-CB 3.87Å; F304-L395 HydrophobicContact CB-CD1 4.49Å; F304-L395 HydrophobicContact CD1-CB 4.41Å; F304-L395 WeakPolarHBondContact CD1-O 3.48Å; F304-L395 HydrophobicContact CD2-CB 3.74Å; F304-L395 HydrophobicContact CD2-CD1 4.27Å; F304-L395 HydrophobicContact CE2-CB 4.4Å; F304-L395 HydrophobicContact CG-CB 3.75Å; L326-L395 HydrophobicContact CB-CD1 4.09Å; L326-L395 HydrophobicContact CD1-CD1 4.05Å; L326-L395 HydrophobicContact CD2-CD1 4.33Å; L326-L395 HydrophobicContact CG-CD1 4.38Å; Y336-L395 HydrophobicContact CD2-CD2 3.89Å; Y336-L395 HydrophobicContact CE2-CD2 3.5Å; Y336-L395 VanDerWaalsContact CE2-CD2 3.5Å; S381-L395 PolarHBondContact OG-N 3.26Å; P393-L395 PolarHBondContact O-N 2.79Å | ||
| 396 | S | 96.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82.8 | 165.8 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | F304 S381 Q394 H398 F401 | F304-S396 VanDerWaalsContact CE1-CA 3.5Å; S381-S396 VanDerWaalsContact CB-OG 3.28Å; S381-S396 WeakPolarHBondContact CB-OG 3.49Å; Q394-S396 WeakPolarHBondContact CG-O 3.39Å; Q394-S396 PolarHBondContact NE2-O 3.34Å; S396-H398 WeakPolarHBondContact CB-O 3.34Å; S396-H398 PolarHBondContact O-N 3.24Å; S396-H398 PolarHBondContact OG-O 2.9Å; S396-F401 WeakPolarHBondContact OG-CD1 3.19Å |
| 397 | A | 95.6 | Very high | 96.6 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -60 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D298 D300 Q394 | D298-A397 PolarHBondContact OD2-N 2.86Å; D300-A397 HydrophobicContact CB-CB 3.35Å; Q394-A397 VanDerWaalsContact NE2-C 3.25Å; Q394-A397 PolarHBondContact NE2-O 2.91Å |
| 398 | H | 96.4 | Very high | 96.8 | Very high | 111 Ų | 111 | 41.3 Ų | 41.3 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -130.2 | 151.6 | -178.6 | -62.4 | -52.6 | 0 | 0 | 0 | 111.3 | D300 S396 N400 | D300-H398 IonicContact OD2-CD2 3.95Å; D300-H398 PolarHBondContact OD2-CD2 3.39Å; D300-H398 IonicContact OD2-NE2 3.93Å; S396-H398 WeakPolarHBondContact CB-O 3.34Å; S396-H398 PolarHBondContact O-N 3.24Å; S396-H398 PolarHBondContact OG-O 2.9Å; H398-N400 VanDerWaalsContact C-N 3.26Å; H398-N400 WeakPolarHBondContact CB-O 3.4Å; H398-N400 PolarHBondContact O-N 3.03Å |
| 399 | E | 96.8 | Very high | 96.9 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -53.6 | -44.1 | -178.5 | -176.8 | -171 | 107.7 | 0 | 0 | 112.1 | H380 S381 R382 K384 | H380-E399 CarbonylContact C-O 3.59Å; H380-E399 WeakPolarHBondContact CA-O 3.39Å; H380-E399 WeakPolarHBondContact CB-O 3.33Å; S381-E399 PolarHBondContact N-O 2.79Å; R382-E399 HydrophobicContact CG-CG 3.53Å; R382-E399 IonicContact NE-OE1 3.47Å; R382-E399 PolarHBondContact NE-OE1 2.81Å; K384-E399 WeakPolarHBondContact CE-OE2 3.31Å; K384-E399 IonicContact NZ-OE2 2.72Å; K384-E399 PolarHBondContact NZ-OE2 3.03Å |
| 400 | N | 97.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 38.3 Ų | 38.3 | 46% | 0.455 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.8 | 168 | -51.7 | -81.9 | 0 | 0 | 0 | 106.9 | G379 R382 H398 | G379-N400 WeakPolarHBondContact O-CA 3.49Å; R382-N400 PolarHBondContact NH2-OD1 3.33Å; H398-N400 VanDerWaalsContact C-N 3.26Å; H398-N400 WeakPolarHBondContact CB-O 3.4Å; H398-N400 PolarHBondContact O-N 3.03Å |
| 401 | F | 97.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 160.4 | -173.5 | 62.9 | -97 | 0 | 0 | 0 | 111.4 | L296 D298 F304 L370 K378 G379 S396 F403 | L296-F401 HydrophobicContact CD1-CD2 4.43Å; L296-F401 HydrophobicContact CD1-CE2 3.8Å; L296-F401 HydrophobicContact CD1-CZ 4.36Å; L296-F401 HydrophobicContact CD2-CE2 4.08Å; L296-F401 HydrophobicContact CD2-CZ 4.27Å; D298-F401 HydrophobicContact CB-CB 4.26Å; D298-F401 HydrophobicContact CB-CD2 4.22Å; D298-F401 HydrophobicContact CB-CG 4.5Å; F304-F401 HydrophobicContact CE2-CE1 4.01Å; F304-F401 HydrophobicContact CE2-CE2 4.33Å; F304-F401 AromaticContact CE2-CZ 3.82Å; F304-F401 HydrophobicContact CE2-CZ 3.82Å; F304-F401 HydrophobicContact CZ-CD1 4.23Å; F304-F401 HydrophobicContact CZ-CD2 4.25Å; F304-F401 AromaticContact CZ-CE1 3.95Å; F304-F401 HydrophobicContact CZ-CE1 3.95Å; F304-F401 HydrophobicContact CZ-CE2 4.01Å; F304-F401 HydrophobicContact CZ-CG 4.37Å; F304-F401 AromaticContact CZ-CZ 3.86Å; F304-F401 HydrophobicContact CZ-CZ 3.86Å; L370-F401 HydrophobicContact CD1-CZ 4.13Å; K378-F401 WeakPolarHBondContact CA-O 3.11Å; G379-F401 PolarHBondContact N-O 3.5Å; G379-F401 PolarHBondContact O-N 3.33Å; S396-F401 WeakPolarHBondContact OG-CD1 3.19Å; F401-F403 AromaticContact CD2-CD1 3.93Å; F401-F403 HydrophobicContact CD2-CD1 3.93Å; F401-F403 AromaticContact CE2-CD1 3.57Å; F401-F403 HydrophobicContact CE2-CD1 3.57Å; F401-F403 HydrophobicContact CE2-CE1 4.11Å; F401-F403 HydrophobicContact CE2-CG 4.41Å |
| 402 | Q | 98.3 | Very high | 96.6 | Very high | 123 Ų | 123 | 33.9 Ų | 33.9 | 58% | 0.575 | 17% | 0.172 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.6 | 170.5 | -66 | 179.6 | 35 | 0 | 0 | 109.1 | D298 H299 G377 | D298-Q402 CarbonylContact C-O 3.56Å; D298-Q402 WeakPolarHBondContact CA-O 3.31Å; D298-Q402 WeakPolarHBondContact CB-O 3.3Å; H299-Q402 VanDerWaalsContact CE1-CB 3.48Å; H299-Q402 WeakPolarHBondContact CE1-CB 3.42Å; H299-Q402 PolarHBondContact N-O 3Å; H299-Q402 WeakPolarHBondContact ND1-CB 3.45Å; G377-Q402 CarbonylContact O-C 3.54Å; G377-Q402 VanDerWaalsContact O-CA 3.27Å; G377-Q402 WeakPolarHBondContact O-CA 3.44Å |
| 403 | F | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 147.7 | -177.3 | 68.9 | -87.2 | 0 | 0 | 0 | 110.9 | L296 E297 V372 F376 G377 F401 M406 | L296-F403 HydrophobicContact CB-CD2 4.35Å; L296-F403 HydrophobicContact CD1-CB 4.17Å; L296-F403 HydrophobicContact CD1-CG 4.31Å; L296-F403 HydrophobicContact CD2-CD1 4.46Å; L296-F403 HydrophobicContact CD2-CE1 4.47Å; E297-F403 WeakPolarHBondContact O-CB 3.32Å; V372-F403 HydrophobicContact CB-CZ 4.46Å; V372-F403 HydrophobicContact CG1-CE1 4.19Å; V372-F403 HydrophobicContact CG1-CZ 3.69Å; V372-F403 HydrophobicContact CG2-CE1 4.23Å; V372-F403 HydrophobicContact CG2-CZ 4.08Å; F376-F403 HydrophobicContact CE1-CE2 4.02Å; F376-F403 HydrophobicContact CZ-CE2 4.02Å; G377-F403 VanDerWaalsContact C-CE1 3.48Å; G377-F403 WeakPolarHBondContact CA-O 3.41Å; G377-F403 PolarHBondContact O-N 3.31Å; F401-F403 AromaticContact CD2-CD1 3.93Å; F401-F403 HydrophobicContact CD2-CD1 3.93Å; F401-F403 AromaticContact CE2-CD1 3.57Å; F401-F403 HydrophobicContact CE2-CD1 3.57Å; F401-F403 HydrophobicContact CE2-CE1 4.11Å; F401-F403 HydrophobicContact CE2-CG 4.41Å; F403-M406 HydrophobicContact CD2-CB 4.22Å; F403-M406 HydrophobicContact CE2-CB 3.85Å; F403-M406 HydrophobicContact CE2-SD 4.18Å; F403-M406 HydrophobicContact CZ-SD 4.44Å |
| 404 | D | 93.6 | Very high | 94.8 | Very high | 89 Ų | 89 | 39 Ų | 39 | 48% | 0.476 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -28.9 | 173.8 | -57.9 | -36.1 | 0 | 0 | 0 | 111.4 | S272 H277 H299 | S272-D404 WeakPolarHBondContact CB-O 3.29Å; S272-D404 PolarHBondContact OG-O 2.96Å; H277-D404 PolarHBondContact CE1-O 2.97Å; H277-D404 PolarHBondContact ND1-O 2.86Å; H299-D404 IonicContact CD2-OD2 2.99Å; H299-D404 IonicContact CE1-OD1 2.98Å; H299-D404 IonicContact NE2-OD1 2.68Å; H299-D404 PolarHBondContact NE2-OD1 3.04Å; H299-D404 IonicContact NE2-OD2 3.24Å; H299-D404 PolarHBondContact NE2-OD2 3.49Å |
| 405 | K | 95.7 | Very high | 93.4 | Very high | 83 Ų | 83 | 37.9 Ų | 37.9 | 36% | 0.361 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.3 | -173.9 | -61.1 | -175.2 | 179 | -178.2 | 0 | 110.4 | I245 S272 L296 E297 | I245-K405 HydrophobicContact CD1-CB 3.71Å; I245-K405 HydrophobicContact CG1-CB 4.04Å; I245-K405 HydrophobicContact CG1-CD 4.32Å; S272-K405 WeakPolarHBondContact OG-CA 3.35Å; L296-K405 VanDerWaalsContact CA-O 3.26Å; L296-K405 WeakPolarHBondContact CA-O 3.3Å; L296-K405 WeakPolarHBondContact CB-O 3.41Å; E297-K405 HydrophobicContact CB-CB 4.2Å; E297-K405 PolarHBondContact N-O 3.12Å; E297-K405 IonicContact OE2-NZ 3.68Å |
| 406 | M | 97.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 138.8 | 171.2 | 179.1 | 178.3 | -178.5 | 0 | 0 | 109.3 | S271 S272 L282 A294 V295 L296 V372 F376 F403 V408 | S271-M406 CarbonylContact C-O 3.42Å; S271-M406 VanDerWaalsContact CA-O 3.31Å; S271-M406 WeakPolarHBondContact CA-O 3.31Å; S272-M406 PolarHBondContact N-O 3.18Å; S272-M406 PolarHBondContact OG-N 2.87Å; L282-M406 HydrophobicContact CD1-CE 4.02Å; L282-M406 HydrophobicContact CD1-SD 4.4Å; L282-M406 HydrophobicContact CD2-CE 3.94Å; L282-M406 HydrophobicContact CD2-SD 4.11Å; A294-M406 HydrophobicContact CB-CE 4.41Å; V295-M406 CarbonylContact O-C 3.53Å; V295-M406 WeakPolarHBondContact O-CA 3.22Å; L296-M406 HydrophobicContact CB-CB 4.1Å; L296-M406 HydrophobicContact CB-CG 4.23Å; V372-M406 HydrophobicContact CG2-CE 4.4Å; V372-M406 HydrophobicContact CG2-SD 4.31Å; F376-M406 HydrophobicContact CE2-SD 4.09Å; F376-M406 HydrophobicContact CZ-CB 4.27Å; F376-M406 HydrophobicContact CZ-SD 4.32Å; F403-M406 HydrophobicContact CD2-CB 4.22Å; F403-M406 HydrophobicContact CE2-CB 3.85Å; F403-M406 HydrophobicContact CE2-SD 4.18Å; F403-M406 HydrophobicContact CZ-SD 4.44Å; M406-V408 HydrophobicContact CE-CG2 3.87Å |
| 407 | E | 97.8 | Very high | 90 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.019 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.5 | 174.6 | -58.1 | 167.5 | 179 | 0 | 0 | 110.2 | F242 S244 I245 L268 F270 A294 V295 W409 | F242-E407 HydrophobicContact CZ-CG 3.9Å; F242-E407 WeakPolarHBondContact CZ-OE1 3.12Å; S244-E407 WeakPolarHBondContact CA-OE1 3.46Å; S244-E407 PolarHBondContact OG-OE2 2.73Å; I245-E407 HydrophobicContact CD1-CG 3.75Å; I245-E407 HydrophobicContact CG1-CG 4.21Å; I245-E407 VanDerWaalsContact CG1-OE1 3.29Å; I245-E407 WeakPolarHBondContact CG1-OE1 3.5Å; I245-E407 PolarHBondContact N-OE1 3.19Å; L268-E407 HydrophobicContact CD1-CB 4.43Å; F270-E407 CarbonylContact O-C 3.56Å; F270-E407 VanDerWaalsContact O-CA 3.29Å; F270-E407 WeakPolarHBondContact O-CA 3.38Å; A294-E407 WeakPolarHBondContact CA-O 3.3Å; V295-E407 HydrophobicContact CG1-CB 3.74Å; V295-E407 HydrophobicContact CG1-CG 4.45Å; V295-E407 PolarHBondContact N-O 2.77Å; V295-E407 PolarHBondContact O-N 3.12Å; E407-W409 PolarHBondContact OE2-NE1 2.98Å |
| 408 | V | 98.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.5 | 169.3 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | L269 F270 L282 I286 C292 V293 A294 M406 | L269-V408 WeakPolarHBondContact CA-O 3.49Å; L269-V408 WeakPolarHBondContact CB-O 3.31Å; L269-V408 HydrophobicContact CD1-CG1 4.35Å; L269-V408 PolarHBondContact N-O 3.35Å; F270-V408 HydrophobicContact CB-CB 4.2Å; F270-V408 HydrophobicContact CB-CG2 4.38Å; F270-V408 PolarHBondContact N-O 2.84Å; F270-V408 PolarHBondContact O-N 2.96Å; L282-V408 HydrophobicContact CD1-CG2 3.8Å; I286-V408 HydrophobicContact CB-CG1 4.42Å; I286-V408 HydrophobicContact CG2-CB 3.78Å; I286-V408 HydrophobicContact CG2-CG1 3.7Å; I286-V408 HydrophobicContact CG2-CG2 3.98Å; C292-V408 HydrophobicContact CB-CG1 3.77Å; V293-V408 WeakPolarHBondContact O-CA 3.2Å; A294-V408 HydrophobicContact CB-CG2 4.12Å; M406-V408 HydrophobicContact CE-CG2 3.87Å |
| 409 | W | 97.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.6 | -177.5 | -61.2 | 89.8 | 0 | 0 | 0 | 109.5 | W150 R234 V236 F242 W266 R267 L268 C292 V293 E407 | W150-W409 HydrophobicContact CH2-CD2 4.25Å; W150-W409 HydrophobicContact CH2-CE3 4.2Å; W150-W409 HydrophobicContact CH2-CH2 4.04Å; W150-W409 HydrophobicContact CH2-CZ2 4.06Å; W150-W409 HydrophobicContact CH2-CZ3 4.1Å; W150-W409 HydrophobicContact CZ3-CH2 4.08Å; W150-W409 AromaticContact CZ3-CZ2 3.98Å; W150-W409 HydrophobicContact CZ3-CZ2 3.98Å; R234-W409 HydrophobicContact CG-CH2 4.04Å; R234-W409 HydrophobicContact CG-CZ3 3.91Å; V236-W409 HydrophobicContact CG2-CH2 4.26Å; V236-W409 HydrophobicContact CG2-CZ3 4.29Å; F242-W409 HydrophobicContact CE1-CH2 4.1Å; F242-W409 AromaticContact CE1-CZ2 3.92Å; F242-W409 HydrophobicContact CE1-CZ2 3.92Å; W266-W409 HydrophobicContact CB-CE3 4.24Å; W266-W409 HydrophobicContact CD2-CB 4.47Å; W266-W409 HydrophobicContact CE3-CB 3.74Å; W266-W409 HydrophobicContact CE3-CD2 4.23Å; W266-W409 AromaticContact CE3-CG 3.81Å; W266-W409 HydrophobicContact CE3-CG 3.81Å; W266-W409 HydrophobicContact CZ3-CB 4.34Å; W266-W409 HydrophobicContact CZ3-CG 4.3Å; R267-W409 CarbonylContact O-C 3.34Å; R267-W409 WeakPolarHBondContact O-CA 3.29Å; L268-W409 HydrophobicContact CB-CE3 3.87Å; L268-W409 HydrophobicContact CB-CH2 4.03Å; L268-W409 HydrophobicContact CB-CZ3 3.59Å; L268-W409 HydrophobicContact CD1-CD2 3.91Å; L268-W409 HydrophobicContact CD1-CE3 4.09Å; L268-W409 HydrophobicContact CD1-CH2 3.87Å; L268-W409 HydrophobicContact CD1-CZ2 3.7Å; L268-W409 HydrophobicContact CD1-CZ3 4.07Å; L268-W409 HydrophobicContact CG-CH2 4.39Å; L268-W409 HydrophobicContact CG-CZ3 4.38Å; C292-W409 CarbonylContact C-O 3.52Å; C292-W409 WeakPolarHBondContact CA-O 3.37Å; V293-W409 HydrophobicContact CB-CB 4.5Å; V293-W409 PolarHBondContact N-O 2.55Å; V293-W409 PolarHBondContact O-N 3Å; E407-W409 PolarHBondContact OE2-NE1 2.98Å |
| 410 | A | 96.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 137 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109 | W266 R267 L269 R289 P291 | W266-A410 CarbonylContact C-O 3.56Å; W266-A410 WeakPolarHBondContact CA-O 3.42Å; R267-A410 HydrophobicContact CB-CB 4.37Å; R267-A410 PolarHBondContact N-O 2.96Å; R267-A410 PolarHBondContact O-N 2.94Å; L269-A410 HydrophobicContact CD1-CB 3.9Å; L269-A410 HydrophobicContact CD2-CB 3.8Å; L269-A410 HydrophobicContact CG-CB 3.81Å; R289-A410 WeakPolarHBondContact O-CB 3.14Å; P291-A410 WeakPolarHBondContact O-CA 3.45Å |
| 411 | V | 95.9 | Very high | 82.5 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.7 | -179.3 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | L258 Q262 W266 P291 V293 F307 | L258-V411 HydrophobicContact CD1-CB 4.09Å; L258-V411 HydrophobicContact CD1-CG1 3.93Å; L258-V411 HydrophobicContact CD1-CG2 4.18Å; Q262-V411 HydrophobicContact CB-CB 4.43Å; Q262-V411 HydrophobicContact CB-CG2 4.06Å; W266-V411 HydrophobicContact CD2-CG1 3.8Å; W266-V411 HydrophobicContact CE3-CG1 4.46Å; W266-V411 HydrophobicContact CG-CG1 3.91Å; W266-V411 HydrophobicContact CZ2-CG1 4.26Å; P291-V411 HydrophobicContact CB-CG2 4.26Å; P291-V411 HydrophobicContact CG-CG2 4.01Å; P291-V411 PolarHBondContact O-N 2.95Å; V293-V411 HydrophobicContact CB-CG1 4.44Å; V293-V411 HydrophobicContact CG2-CG1 3.79Å; F307-V411 HydrophobicContact CD2-CG2 4.42Å; F307-V411 HydrophobicContact CE2-CG2 3.67Å |
| 412 | G | 90.6 | Very high | 80.3 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 79 | -167.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q262 C265 | Q262-G412 PolarHBondContact O-N 2.79Å; C265-G412 PolarHBondContact O-N 3.32Å |
| 413 | D | 82.4 | Confident | 77.8 | Confident | 116 Ų | 116 | 57.5 Ų | 57.5 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -71.3 | 144.9 | -178.7 | -67.1 | -47.3 | 0 | 0 | 0 | 111.8 | H264 S415 | H264-D413 IonicContact CD2-OD1 3.09Å; H264-D413 IonicContact CE1-OD1 2.89Å; H264-D413 IonicContact CE1-OD2 3.38Å; H264-D413 PolarHBondContact CE1-OD2 3.03Å; H264-D413 IonicContact NE2-OD1 3.3Å; H264-D413 PolarHBondContact NE2-OD1 2.91Å; H264-D413 IonicContact NE2-OD2 3.03Å; H264-D413 PolarHBondContact NE2-OD2 3.48Å; D413-S415 PolarHBondContact O-N 2.59Å |
| 414 | P | 72.4 | Confident | 75.3 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 25% | 0.247 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -57 | 135.4 | 167.5 | 18.8 | -25.7 | 0 | 0 | 0 | 110.9 | Q418 L419 | P414-Q418 VanDerWaalsContact CA-OE1 3.27Å; P414-Q418 HydrophobicContact CB-CB 4.26Å; P414-L419 HydrophobicContact CB-CD2 4.35Å; P414-L419 HydrophobicContact CB-CG 4.07Å; P414-L419 HydrophobicContact CG-CD1 4.31Å; P414-L419 HydrophobicContact CG-CD2 4.05Å; P414-L419 HydrophobicContact CG-CG 4.14Å |
| 415 | S | 68.4 | Low | 73.3 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 154 | 168.1 | 68 | 0 | 0 | 0 | 0 | 110.5 | D413 E417 Q418 L419 | D413-S415 PolarHBondContact O-N 2.59Å; S415-E417 PolarHBondContact O-N 3.24Å; S415-E417 VanDerWaalsContact O-N 3.16Å; S415-Q418 WeakPolarHBondContact O-CA 3.45Å; S415-Q418 WeakPolarHBondContact O-CB 3.32Å; S415-Q418 PolarHBondContact O-N 3.36Å; S415-Q418 VanDerWaalsContact OG-CG 3.3Å; S415-Q418 WeakPolarHBondContact OG-CG 3.08Å; S415-Q418 PolarHBondContact OG-N 2.8Å; S415-L419 PolarHBondContact O-N 2.85Å; S415-L419 VanDerWaalsContact O-N 3.12Å |
| 416 | E | 62 | Low | 71.1 | Confident | 173 Ų | 173 | 64.3 Ų | 64.3 | 81% | 0.808 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53.7 | -35.5 | 175.6 | -65.7 | -177.3 | 168.5 | 0 | 0 | 111.9 | Q418 L419 A420 | E416-Q418 VanDerWaalsContact C-N 3.35Å; E416-Q418 PolarHBondContact O-N 3.11Å; E416-L419 PolarHBondContact O-N 3.31Å; E416-A420 WeakPolarHBondContact O-CB 3.33Å; E416-A420 PolarHBondContact O-N 2.67Å |
| 417 | E | 60.1 | Low | 69 | Low | 139 Ų | 139 | 65.6 Ų | 65.6 | 65% | 0.65 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.2 | -35.5 | 175.4 | -61.4 | 174.6 | 170.4 | 0 | 0 | 113.2 | S415 K421 | S415-E417 PolarHBondContact O-N 3.24Å; S415-E417 VanDerWaalsContact O-N 3.16Å; E417-K421 PolarHBondContact O-N 3.39Å; E417-K421 VanDerWaalsContact O-N 3.11Å |
| 418 | Q | 60.9 | Low | 67 | Low | 20 Ų | 20 | 69 Ų | 69 | 9% | 0.093 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.9 | -38.6 | 176.1 | -69.3 | 166.5 | 13.3 | 0 | 0 | 111.2 | H288 R289 G290 P414 S415 E416 K421 G422 | H288-Q418 WeakPolarHBondContact O-CG 3.21Å; H288-Q418 PolarHBondContact O-NE2 3.29Å; R289-Q418 PolarHBondContact O-NE2 2.88Å; G290-Q418 PolarHBondContact O-NE2 3.11Å; G290-Q418 VanDerWaalsContact O-NE2 3.09Å; P414-Q418 VanDerWaalsContact CA-OE1 3.27Å; P414-Q418 HydrophobicContact CB-CB 4.26Å; S415-Q418 WeakPolarHBondContact O-CA 3.45Å; S415-Q418 WeakPolarHBondContact O-CB 3.32Å; S415-Q418 PolarHBondContact O-N 3.36Å; S415-Q418 VanDerWaalsContact OG-CG 3.3Å; S415-Q418 WeakPolarHBondContact OG-CG 3.08Å; S415-Q418 PolarHBondContact OG-N 2.8Å; E416-Q418 VanDerWaalsContact C-N 3.35Å; E416-Q418 PolarHBondContact O-N 3.11Å; Q418-K421 PolarHBondContact O-N 3.29Å; Q418-G422 PolarHBondContact O-N 2.91Å; Q418-G422 VanDerWaalsContact O-N 3.13Å |
| 419 | L | 60 | Low | 64.9 | Low | 102 Ų | 102 | 72.6 Ų | 72.6 | 53% | 0.534 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 173.8 | -70.1 | 163.7 | 0 | 0 | 0 | 111.1 | P414 S415 E416 K421 G422 | P414-L419 HydrophobicContact CB-CD2 4.35Å; P414-L419 HydrophobicContact CB-CG 4.07Å; P414-L419 HydrophobicContact CG-CD1 4.31Å; P414-L419 HydrophobicContact CG-CD2 4.05Å; P414-L419 HydrophobicContact CG-CG 4.14Å; S415-L419 PolarHBondContact O-N 2.85Å; S415-L419 VanDerWaalsContact O-N 3.12Å; E416-L419 PolarHBondContact O-N 3.31Å; L419-K421 PolarHBondContact O-N 2.97Å; L419-G422 PolarHBondContact O-N 3.09Å |
| 420 | A | 55.3 | Low | 62.9 | Low | 52 Ų | 52 | 75.7 Ų | 75.7 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.1 | -34.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E416 | E416-A420 WeakPolarHBondContact O-CB 3.33Å; E416-A420 PolarHBondContact O-N 2.67Å |
| 421 | K | 54.2 | Low | 61.4 | Low | 123 Ų | 123 | 80.4 Ų | 80.4 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -75.9 | -32.8 | 175.6 | -76.3 | -179.9 | -178.5 | 176.2 | 0 | 113 | E417 Q418 L419 N423 K424 | E417-K421 PolarHBondContact O-N 3.39Å; E417-K421 VanDerWaalsContact O-N 3.11Å; Q418-K421 PolarHBondContact O-N 3.29Å; L419-K421 PolarHBondContact O-N 2.97Å; K421-N423 PolarHBondContact O-N 2.89Å; K421-K424 PolarHBondContact O-N 3.03Å; K421-K424 VanDerWaalsContact O-N 3.13Å |
| 422 | G | 51 | Low | 59.7 | Low | 65 Ų | 65 | 87.3 Ų | 87.3 | 67% | 0.67 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.6 | -24.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q418 L419 | Q418-G422 PolarHBondContact O-N 2.91Å; Q418-G422 VanDerWaalsContact O-N 3.13Å; L419-G422 PolarHBondContact O-N 3.09Å |
| 423 | N | 46.2 | Very low | 58.3 | Low | 151 Ų | 151 | 88.3 Ų | 88.3 | 81% | 0.807 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6 | 177.4 | -72.4 | -10.4 | 0 | 0 | 0 | 114.2 | K421 | K421-N423 PolarHBondContact O-N 2.89Š|
| 424 | K | 44.3 | Very low | 57.4 | Low | 135 Ų | 135 | 85.9 Ų | 85.9 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -93.2 | 122.6 | -179.8 | -70.8 | -178.7 | -177.8 | -175 | 0 | 109.8 | K421 | K421-K424 PolarHBondContact O-N 3.03Å; K421-K424 VanDerWaalsContact O-N 3.13Å |
| 425 | S | 50.8 | Low | 57.1 | Low | 46 Ų | 46 | 86.1 Ų | 86.1 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | trans | -58.9 | 143.4 | 173.9 | 143.9 | 0 | 0 | 0 | 0 | 109.8 | L427 D428 A429 | S425-L427 PolarHBondContact O-N 2.85Å; S425-L427 PolarHBondContact OG-N 2.83Å; S425-D428 WeakPolarHBondContact CB-OD2 3.1Å; S425-D428 WeakPolarHBondContact O-CA 3.4Å; S425-D428 WeakPolarHBondContact O-CB 3.48Å; S425-D428 PolarHBondContact O-N 2.85Å; S425-A429 PolarHBondContact O-N 2.99Å | ||
| 426 | I | 50.5 | Low | 57.3 | Low | 135 Ų | 135 | 89.7 Ų | 89.7 | 69% | 0.692 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -51 | -34.2 | 177.4 | -73.5 | 165.1 | 0 | 0 | 0 | 111.9 | D428 A429 D430 | I426-D428 PolarHBondContact O-N 2.81Å; I426-A429 PolarHBondContact O-N 3.09Å; I426-D430 PolarHBondContact O-N 3.24Å; I426-D430 VanDerWaalsContact O-N 3.16Å |
| 427 | L | 53.6 | Low | 57.6 | Low | 30 Ų | 30 | 84.3 Ų | 84.3 | 16% | 0.157 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.3 | -15.7 | 176.2 | -58.1 | 179 | 0 | 0 | 0 | 114.8 | S425 L437 | S425-L427 PolarHBondContact O-N 2.85Å; S425-L427 PolarHBondContact OG-N 2.83Å; L427-L437 HydrophobicContact CD2-CD1 3.44Å; L427-L437 VanDerWaalsContact CD2-CD1 3.44Å |
| 428 | D | 55.8 | Low | 58.2 | Low | 76 Ų | 76 | 83.2 Ų | 83.2 | 41% | 0.406 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -103.1 | -12.6 | 179 | -53.3 | -45.1 | 0 | 0 | 0 | 111.8 | S425 I426 R444 R450 | S425-D428 WeakPolarHBondContact CB-OD2 3.1Å; S425-D428 WeakPolarHBondContact O-CA 3.4Å; S425-D428 WeakPolarHBondContact O-CB 3.48Å; S425-D428 PolarHBondContact O-N 2.85Å; I426-D428 PolarHBondContact O-N 2.81Å; D428-R444 IonicContact OD1-NH2 3.99Å; D428-R444 PolarHBondContact OD1-NH2 3.24Å; D428-R450 VanDerWaalsContact CG-NH1 3.34Å; D428-R450 IonicContact OD1-CZ 2.89Å; D428-R450 IonicContact OD1-NH1 3.93Å; D428-R450 PolarHBondContact OD1-NH1 2.78Å; D428-R450 IonicContact OD1-NH2 2.82Å; D428-R450 PolarHBondContact OD1-NH2 3.36Å; D428-R450 VanDerWaalsContact OD1-NH2 3.09Å; D428-R450 IonicContact OD2-CZ 2.73Å; D428-R450 VanDerWaalsContact OD2-CZ 3.3Å; D428-R450 IonicContact OD2-NH1 2.71Å; D428-R450 PolarHBondContact OD2-NH1 3.4Å; D428-R450 IonicContact OD2-NH2 3.3Å; D428-R450 PolarHBondContact OD2-NH2 2.69Å |
| 429 | A | 52.8 | Low | 58.9 | Low | 75 Ų | 75 | 89 Ų | 89 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -100.9 | -22.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S425 I426 | S425-A429 PolarHBondContact O-N 2.99Å; I426-A429 PolarHBondContact O-N 3.09Å |
| 430 | D | 56.1 | Low | 59.5 | Low | 65 Ų | 65 | 87.3 Ų | 87.3 | 35% | 0.348 | 50% | 0.496 | S | S | . | . | trans | -126.8 | 104.8 | -175.2 | -175.2 | -9.3 | 0 | 0 | 0 | 112 | I426 E432 A433 Q434 | I426-D430 PolarHBondContact O-N 3.24Å; I426-D430 VanDerWaalsContact O-N 3.16Å; D430-E432 VanDerWaalsContact C-N 3.27Å; D430-E432 PolarHBondContact O-N 3.05Å; D430-E432 WeakPolarHBondContact OD1-CB 3.49Å; D430-E432 PolarHBondContact OD1-N 2.93Å; D430-A433 HydrophobicContact CB-CB 3.87Å; D430-A433 PolarHBondContact O-N 2.78Å; D430-A433 PolarHBondContact OD1-N 3.04Å; D430-Q434 PolarHBondContact O-N 3.22Å; D430-Q434 VanDerWaalsContact O-N 3.17Å | ||
| 431 | P | 65.6 | Low | 59.7 | Low | 99 Ų | 99 | 88.2 Ų | 88.2 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.2 | -27.4 | 177.5 | -18.9 | 30.9 | 0 | 0 | 0 | 113.9 | Q434 A435 | P431-Q434 PolarHBondContact O-N 3.46Å; P431-A435 PolarHBondContact O-N 3.27Å |
| 432 | E | 60.9 | Low | 60.1 | Low | 149 Ų | 149 | 91.4 Ų | 91.4 | 70% | 0.696 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.8 | -39.7 | 179.6 | -67 | -177.3 | 164.9 | 0 | 0 | 110.7 | D430 Q434 A435 L436 | D430-E432 VanDerWaalsContact C-N 3.27Å; D430-E432 PolarHBondContact O-N 3.05Å; D430-E432 WeakPolarHBondContact OD1-CB 3.49Å; D430-E432 PolarHBondContact OD1-N 2.93Å; E432-Q434 VanDerWaalsContact C-N 3.28Å; E432-Q434 PolarHBondContact O-N 2.83Å; E432-A435 PolarHBondContact O-N 2.82Å; E432-L436 WeakPolarHBondContact O-CB 3.46Å; E432-L436 WeakPolarHBondContact O-CG 3.32Å; E432-L436 PolarHBondContact O-N 2.93Å |
| 433 | A | 60.6 | Low | 60.4 | Low | 21 Ų | 21 | 92 Ų | 92 | 17% | 0.174 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -62 | -37 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D430 L437 | D430-A433 HydrophobicContact CB-CB 3.87Å; D430-A433 PolarHBondContact O-N 2.78Å; D430-A433 PolarHBondContact OD1-N 3.04Å; A433-L437 WeakPolarHBondContact O-CD1 3.15Å; A433-L437 PolarHBondContact O-N 3.12Å; A433-L437 VanDerWaalsContact O-N 3.12Å |
| 434 | Q | 63.2 | Low | 61.1 | Low | 65 Ų | 65 | 87 Ų | 87 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -49.7 | 173.5 | -173.8 | -178.4 | -15.5 | 0 | 0 | 111.4 | D430 P431 E432 L436 L437 E438 R444 | D430-Q434 PolarHBondContact O-N 3.22Å; D430-Q434 VanDerWaalsContact O-N 3.17Å; P431-Q434 PolarHBondContact O-N 3.46Å; E432-Q434 VanDerWaalsContact C-N 3.28Å; E432-Q434 PolarHBondContact O-N 2.83Å; Q434-L436 VanDerWaalsContact C-N 3.32Å; Q434-L436 PolarHBondContact O-N 3.12Å; Q434-L437 PolarHBondContact O-N 3.23Å; Q434-E438 PolarHBondContact NE2-OE1 3.47Å; Q434-E438 PolarHBondContact O-N 2.79Å; Q434-E438 VanDerWaalsContact O-N 3.09Å; Q434-R444 VanDerWaalsContact CD-NH1 3.32Å; Q434-R444 VanDerWaalsContact NE2-NH1 3.1Å |
| 435 | A | 66.4 | Low | 61.6 | Low | 43 Ų | 43 | 88.5 Ų | 88.5 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P431 E432 E438 I439 | P431-A435 PolarHBondContact O-N 3.27Å; E432-A435 PolarHBondContact O-N 2.82Å; A435-E438 PolarHBondContact O-N 2.99Å; A435-I439 WeakPolarHBondContact O-CB 3.34Å; A435-I439 WeakPolarHBondContact O-CD1 3.42Å; A435-I439 WeakPolarHBondContact O-CG1 3.41Å; A435-I439 PolarHBondContact O-N 3.39Å |
| 436 | L | 72.6 | Confident | 61.9 | Low | 120 Ų | 120 | 88.9 Ų | 88.9 | 63% | 0.628 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 177.2 | -80.3 | 162.5 | 0 | 0 | 0 | 112.9 | E432 Q434 S440 | E432-L436 WeakPolarHBondContact O-CB 3.46Å; E432-L436 WeakPolarHBondContact O-CG 3.32Å; E432-L436 PolarHBondContact O-N 2.93Å; Q434-L436 VanDerWaalsContact C-N 3.32Å; Q434-L436 PolarHBondContact O-N 3.12Å; L436-S440 WeakPolarHBondContact O-CB 3.28Å; L436-S440 PolarHBondContact O-N 2.78Å |
| 437 | L | 69.5 | Low | 61.9 | Low | 59 Ų | 59 | 88.3 Ų | 88.3 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 175.2 | -103.8 | 112.7 | 0 | 0 | 0 | 112.1 | L427 A433 Q434 S440 G441 R442 | L427-L437 HydrophobicContact CD2-CD1 3.44Å; L427-L437 VanDerWaalsContact CD2-CD1 3.44Å; A433-L437 WeakPolarHBondContact O-CD1 3.15Å; A433-L437 PolarHBondContact O-N 3.12Å; A433-L437 VanDerWaalsContact O-N 3.12Å; Q434-L437 PolarHBondContact O-N 3.23Å; L437-S440 PolarHBondContact O-N 2.85Å; L437-S440 PolarHBondContact O-OG 3.38Å; L437-G441 PolarHBondContact O-N 2.77Å; L437-R442 HydrophobicContact CD2-CB 4.41Å; L437-R442 PolarHBondContact O-N 2.55Å |
| 438 | E | 72.8 | Confident | 61.6 | Low | 116 Ų | 116 | 90.6 Ų | 90.6 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.4 | -72.2 | 175.1 | -165.7 | 0 | 0 | 111.4 | Q434 A435 S440 G441 | Q434-E438 PolarHBondContact NE2-OE1 3.47Å; Q434-E438 PolarHBondContact O-N 2.79Å; Q434-E438 VanDerWaalsContact O-N 3.09Å; A435-E438 PolarHBondContact O-N 2.99Å; E438-S440 VanDerWaalsContact C-N 3.3Å; E438-S440 PolarHBondContact O-N 3.14Å; E438-G441 PolarHBondContact O-N 3.4Å |
| 439 | I | 74 | Confident | 61.2 | Low | 141 Ų | 141 | 94.4 Ų | 94.4 | 72% | 0.723 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.2 | -32.1 | 176.3 | -68.3 | 164.8 | 0 | 0 | 0 | 111.8 | A435 G441 | A435-I439 WeakPolarHBondContact O-CB 3.34Å; A435-I439 WeakPolarHBondContact O-CD1 3.42Å; A435-I439 WeakPolarHBondContact O-CG1 3.41Å; A435-I439 PolarHBondContact O-N 3.39Å; I439-G441 PolarHBondContact O-N 3.32Å |
| 440 | S | 73.5 | Confident | 61.1 | Low | 68 Ų | 68 | 95.6 Ų | 95.6 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -3 | 178.3 | 77.8 | 0 | 0 | 0 | 0 | 114.5 | L436 L437 E438 R442 | L436-S440 WeakPolarHBondContact O-CB 3.28Å; L436-S440 PolarHBondContact O-N 2.78Å; L437-S440 PolarHBondContact O-N 2.85Å; L437-S440 PolarHBondContact O-OG 3.38Å; E438-S440 VanDerWaalsContact C-N 3.3Å; E438-S440 PolarHBondContact O-N 3.14Å; S440-R442 VanDerWaalsContact C-N 3.28Å; S440-R442 PolarHBondContact O-N 2.86Å |
| 441 | G | 58.7 | Low | 60.9 | Low | 71 Ų | 71 | 101.5 Ų | 101.5 | 73% | 0.732 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.6 | 17.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L437 E438 I439 | L437-G441 PolarHBondContact O-N 2.77Å; E438-G441 PolarHBondContact O-N 3.4Å; I439-G441 PolarHBondContact O-N 3.32Å |
| 442 | R | 63.3 | Low | 59.6 | Low | 190 Ų | 190 | 103.9 Ų | 103.9 | 72% | 0.717 | 56% | 0.559 | S | S | * | * | trans | -96.2 | 123.5 | 176.8 | -67.8 | -174.8 | 176.9 | -169 | 0.4 | 110 | L437 S440 | L437-R442 HydrophobicContact CD2-CB 4.41Å; L437-R442 PolarHBondContact O-N 2.55Å; S440-R442 VanDerWaalsContact C-N 3.28Å; S440-R442 PolarHBondContact O-N 2.86Å | ||
| 443 | S | 58.1 | Low | 58.6 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | trans | -77.2 | 145.6 | 178.7 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | H445 | S443-H445 PolarHBondContact O-CD2 3.3Å; S443-H445 VanDerWaalsContact O-CD2 3.3Å; S443-H445 PolarHBondContact O-N 3.25Å; S443-H445 VanDerWaalsContact O-N 3.09Å; S443-H445 PolarHBondContact OG-NE2 2.82Å | ||
| 444 | R | 60.6 | Low | 57.6 | Low | 45 Ų | 45 | 108.7 Ų | 108.7 | 17% | 0.17 | 59% | 0.593 | C | S | . | * | trans | -72.1 | 95.7 | 174.2 | -62.8 | 175.8 | 71.1 | 153.5 | 5.9 | 110.1 | D428 Q434 S446 E447 | D428-R444 IonicContact OD1-NH2 3.99Å; D428-R444 PolarHBondContact OD1-NH2 3.24Å; Q434-R444 VanDerWaalsContact CD-NH1 3.32Å; Q434-R444 VanDerWaalsContact NE2-NH1 3.1Å; R444-S446 PolarHBondContact O-N 2.81Å; R444-E447 HydrophobicContact CB-CB 4.36Å; R444-E447 IonicContact NE-OE1 3.43Å | ||
| 445 | H | 53.6 | Low | 56.3 | Low | 167 Ų | 167 | 113.1 Ų | 113.1 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -8.5 | -179.9 | -73.4 | -73.9 | 0 | 0 | 0 | 114.7 | S443 | S443-H445 PolarHBondContact O-CD2 3.3Å; S443-H445 VanDerWaalsContact O-CD2 3.3Å; S443-H445 PolarHBondContact O-N 3.25Å; S443-H445 VanDerWaalsContact O-N 3.09Å; S443-H445 PolarHBondContact OG-NE2 2.82Å |
| 446 | S | 57 | Low | 54.7 | Low | 54 Ų | 54 | 123.9 Ų | 123.9 | 38% | 0.378 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.6 | 9.1 | -174.7 | 35.1 | 0 | 0 | 0 | 0 | 114.4 | R444 R450 | R444-S446 PolarHBondContact O-N 2.81Å; S446-R450 WeakPolarHBondContact O-CG 3.4Å; S446-R450 PolarHBondContact O-NE 2.64Å |
| 447 | E | 51.8 | Low | 53.8 | Low | 122 Ų | 122 | 124.1 Ų | 124.1 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -24.4 | -178.1 | -152.8 | 165.3 | -149.6 | 0 | 0 | 113 | R444 | R444-E447 HydrophobicContact CB-CB 4.36Å; R444-E447 IonicContact NE-OE1 3.43Å |
| 448 | G | 47.1 | Very low | 53 | Low | 79 Ų | 79 | 127.5 Ų | 127.5 | 81% | 0.814 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 5.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 449 | L | 46.3 | Very low | 51.9 | Low | 156 Ų | 156 | 128.2 Ų | 128.2 | 82% | 0.817 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -115.6 | 11.3 | -178.8 | -73.1 | 169.7 | 0 | 0 | 0 | 112.9 | ||
| 450 | R | 51.8 | Low | 50.6 | Low | 99 Ų | 99 | 127.4 Ų | 127.4 | 37% | 0.374 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -92 | 125.9 | -177 | -65.6 | 172 | -178.7 | -161.2 | -13.9 | 109.4 | D428 S446 I452 | D428-R450 VanDerWaalsContact CG-NH1 3.34Å; D428-R450 IonicContact OD1-CZ 2.89Å; D428-R450 IonicContact OD1-NH1 3.93Å; D428-R450 PolarHBondContact OD1-NH1 2.78Å; D428-R450 IonicContact OD1-NH2 2.82Å; D428-R450 PolarHBondContact OD1-NH2 3.36Å; D428-R450 VanDerWaalsContact OD1-NH2 3.09Å; D428-R450 IonicContact OD2-CZ 2.73Å; D428-R450 VanDerWaalsContact OD2-CZ 3.3Å; D428-R450 IonicContact OD2-NH1 2.71Å; D428-R450 PolarHBondContact OD2-NH1 3.4Å; D428-R450 IonicContact OD2-NH2 3.3Å; D428-R450 PolarHBondContact OD2-NH2 2.69Å; S446-R450 WeakPolarHBondContact O-CG 3.4Å; S446-R450 PolarHBondContact O-NE 2.64Å; R450-I452 PolarHBondContact O-N 3.37Å |
| 451 | E | 50.7 | Low | 49.1 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.1 | 164.6 | -72.4 | 179.8 | 168.1 | 0 | 0 | 108.2 | ||
| 452 | I | 39.6 | Very low | 48.5 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 127.9 | 177.1 | -58.3 | 167.6 | 0 | 0 | 0 | 106.3 | R450 D454 | R450-I452 PolarHBondContact O-N 3.37Å; I452-D454 PolarHBondContact O-N 3.15Å |
| 453 | P | 40.1 | Very low | 47.4 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 127.6 | 170.8 | -13.2 | 27.1 | 0 | 0 | 0 | 108.3 | D455 | P453-D455 PolarHBondContact O-N 3.47Å; P453-D455 VanDerWaalsContact O-N 3.11Å |
| 454 | D | 38.3 | Very low | 46.6 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | trans | -61.2 | 113 | 170.5 | -73.4 | -39.1 | 0 | 0 | 0 | 108.4 | I452 E456 | I452-D454 PolarHBondContact O-N 3.15Å; D454-E456 PolarHBondContact O-N 2.72Å | ||
| 455 | D | 36.8 | Very low | 45.4 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -76 | 110.5 | 169.7 | -80.4 | -33.9 | 0 | 0 | 0 | 109 | P453 | P453-D455 PolarHBondContact O-N 3.47Å; P453-D455 VanDerWaalsContact O-N 3.11Å | ||
| 456 | E | 32.3 | Very low | 44.7 | Very low | 269 Ų | 269 | 140.6 Ų | 140.6 | 100% | 1.257 | 75% | 0.752 | S | S | * | * | trans | -146.8 | 0 | 146.2 | -103.3 | -171.2 | 176.5 | 0 | 0 | 111.9 | D454 | D454-E456 PolarHBondContact O-N 2.72Š|
Retrieved 456 of 456 residues in 120.7 ms
(Link to these results)