| 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 | 27.6 | Very low | 32.5 | Very low | 247 Ų | 247 | 174.8 Ų | 174.8 | 100% | 1.217 | 87% | 0.87 | S | S | * | * | 0 | 106.1 | 0 | -79.3 | 170.5 | 157.3 | 0 | 0 | 107.8 | |||||
| 2 | K | 29.8 | Very low | 33.1 | Very low | 198 Ų | 198 | 169.1 Ų | 169.1 | 86% | 0.861 | 86% | 0.859 | S | S | * | * | trans | -83.4 | 133.9 | 164.1 | -79.7 | -173.6 | 171.6 | -170.7 | 0 | 106.9 | H4 | K2-H4 PolarHBondContact O-N 3.46Š| ||
| 3 | R | 31.2 | Very low | 33.9 | Very low | 237 Ų | 237 | 168.5 Ų | 168.5 | 89% | 0.894 | 86% | 0.86 | S | S | * | * | trans | -70.8 | 112.1 | 177.2 | -73.4 | 178.4 | 178.5 | 174.5 | -1.5 | 108 | G5 | R3-G5 PolarHBondContact O-N 3.29Š| ||
| 4 | H | 31 | Very low | 35.8 | Very low | 192 Ų | 192 | 163.9 Ų | 163.9 | 89% | 0.889 | 85% | 0.85 | S | S | * | * | trans | -85.1 | 92.5 | 159.8 | -78.1 | -66.1 | 0 | 0 | 0 | 106.6 | K2 | K2-H4 PolarHBondContact O-N 3.46Š| ||
| 5 | G | 33.1 | Very low | 38.2 | Very low | 68 Ų | 68 | 158.7 Ų | 158.7 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | -90.8 | 120.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | R3 N7 | R3-G5 PolarHBondContact O-N 3.29Å; G5-N7 PolarHBondContact O-N 3.23Å | ||
| 6 | E | 33.5 | Very low | 41.1 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -59.2 | 111.7 | 171.1 | -68.4 | 167.8 | 155.9 | 0 | 0 | 109 | ||||
| 7 | N | 33.9 | Very low | 44 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -164.4 | 107.5 | 150.2 | -93.5 | -22.3 | 0 | 0 | 0 | 107.6 | G5 S9 | G5-N7 PolarHBondContact O-N 3.23Å; N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | D | 32.9 | Very low | 46.7 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 96% | 0.957 | 72% | 0.716 | S | S | * | * | trans | -65.1 | 100.7 | 174.8 | -68.9 | -45.3 | 0 | 0 | 0 | 110.3 | ||||
| 9 | S | 34 | Very low | 48.9 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -149.8 | 119.1 | 152.7 | 55.6 | 0 | 0 | 0 | 0 | 107.9 | N7 E11 | N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.1Å; S9-E11 PolarHBondContact O-N 3.43Å | ||
| 10 | E | 34.6 | Very low | 50.9 | Low | 205 Ų | 205 | 130.3 Ų | 130.3 | 96% | 0.958 | 68% | 0.684 | S | S | * | * | trans | -67.3 | 49 | 179.6 | -64.1 | -179.9 | 151.4 | 0 | 0 | 112.9 | S12 | E10-S12 PolarHBondContact O-N 3.36Š| ||
| 11 | E | 35.6 | Very low | 52.8 | Low | 164 Ų | 164 | 126.2 Ų | 126.2 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | trans | -74.2 | 112.5 | 158.4 | -80.6 | -173.2 | 163.3 | 0 | 0 | 106.6 | S9 D13 | S9-E11 PolarHBondContact O-N 3.43Å; E11-D13 PolarHBondContact O-N 2.85Å | ||
| 12 | S | 40.1 | Very low | 55.9 | Low | 106 Ų | 106 | 115.6 Ų | 115.6 | 74% | 0.741 | 61% | 0.613 | S | S | * | * | trans | -49.7 | 111 | 170.6 | 60.2 | 0 | 0 | 0 | 0 | 108.1 | E10 S14 | E10-S12 PolarHBondContact O-N 3.36Å; S12-S14 PolarHBondContact O-N 3.49Å | ||
| 13 | D | 42.9 | Very low | 58.8 | Low | 162 Ų | 162 | 110.1 Ų | 110.1 | 87% | 0.866 | 60% | 0.598 | S | S | * | * | trans | -56.6 | 80.9 | 174.3 | -84.6 | -30.3 | 0 | 0 | 0 | 109.1 | E11 V15 | E11-D13 PolarHBondContact O-N 2.85Å; D13-V15 PolarHBondContact O-N 3.17Å | ||
| 14 | S | 60.6 | Low | 61.8 | Low | 103 Ų | 103 | 102.4 Ų | 102.4 | 72% | 0.72 | 57% | 0.569 | S | S | * | * | trans | -71.7 | 101.6 | 174.1 | 66.4 | 0 | 0 | 0 | 0 | 105.7 | S12 N16 | S12-S14 PolarHBondContact O-N 3.49Å; S14-N16 PolarHBondContact O-N 3.32Å; S14-N16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | V | 71.8 | Confident | 64.7 | Low | 86 Ų | 86 | 95.5 Ų | 95.5 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | trans | -48.8 | 121.6 | 177.7 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | D13 V20 L101 | D13-V15 PolarHBondContact O-N 3.17Å; V15-V20 HydrophobicContact CG1-CG2 3.66Å; V15-L101 HydrophobicContact CB-CD1 4.27Å; V15-L101 HydrophobicContact CB-CG 4.48Å; V15-L101 HydrophobicContact CG1-CD1 4.04Å; V15-L101 VanDerWaalsContact O-CD1 3.24Å; V15-L101 WeakPolarHBondContact O-CD1 3.41Å; V15-L101 WeakPolarHBondContact O-CD2 3.39Å | ||
| 16 | N | 85.5 | Confident | 67.4 | Low | 71 Ų | 71 | 98 Ų | 98 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | trans | -80.4 | 138.9 | 176.6 | -171 | -28 | 0 | 0 | 0 | 109.4 | S14 T18 D19 V20 | S14-N16 PolarHBondContact O-N 3.32Å; S14-N16 VanDerWaalsContact O-N 3.12Å; N16-T18 PolarHBondContact ND2-OG1 3.45Å; N16-T18 PolarHBondContact O-N 2.98Å; N16-T18 PolarHBondContact OD1-N 3.39Å; N16-T18 PolarHBondContact OD1-OG1 3.41Å; N16-T18 VanDerWaalsContact OD1-OG1 3.05Å; N16-D19 WeakPolarHBondContact CB-OD2 3.4Å; N16-D19 WeakPolarHBondContact O-CB 3.3Å; N16-D19 PolarHBondContact O-N 3.21Å; N16-D19 VanDerWaalsContact O-N 3.13Å; N16-V20 PolarHBondContact O-N 2.9Å | ||
| 17 | I | 89.9 | Confident | 70.4 | Confident | 8 Ų | 8 | 89.6 Ų | 89.6 | 4% | 0.041 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -60.5 | -33 | 178.5 | -164.9 | 57.2 | 0 | 0 | 0 | 112.6 | D19 V20 V21 F99 L101 A111 A112 | I17-D19 VanDerWaalsContact C-N 3.26Å; I17-D19 PolarHBondContact O-N 3.16Å; I17-V20 HydrophobicContact CD1-CB 4.37Å; I17-V20 WeakPolarHBondContact O-CB 3.41Å; I17-V20 PolarHBondContact O-N 2.93Å; I17-V20 VanDerWaalsContact O-N 3.08Å; I17-V21 HydrophobicContact CD1-CG1 4.28Å; I17-V21 HydrophobicContact CG1-CG1 4.4Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 3.25Å; I17-F99 HydrophobicContact CD1-CB 3.61Å; I17-F99 HydrophobicContact CG1-CB 3.8Å; I17-L101 HydrophobicContact CB-CD1 4.14Å; I17-L101 HydrophobicContact CD1-CB 4.35Å; I17-L101 HydrophobicContact CD1-CD1 3.84Å; I17-A111 HydrophobicContact CB-CB 3.76Å; I17-A111 HydrophobicContact CD1-CB 4.19Å; I17-A111 HydrophobicContact CG1-CB 3.95Å; I17-A111 HydrophobicContact CG2-CB 4.24Å; I17-A112 WeakPolarHBondContact CG2-O 3.26Å |
| 18 | T | 91.8 | Very high | 73.3 | Confident | 6 Ų | 6 | 85.3 Ų | 85.3 | 4% | 0.037 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 112 | N16 V20 T22 H25 D115 | N16-T18 PolarHBondContact ND2-OG1 3.45Å; N16-T18 PolarHBondContact O-N 2.98Å; N16-T18 PolarHBondContact OD1-N 3.39Å; N16-T18 PolarHBondContact OD1-OG1 3.41Å; N16-T18 VanDerWaalsContact OD1-OG1 3.05Å; T18-V20 VanDerWaalsContact C-N 3.27Å; T18-V20 PolarHBondContact O-N 2.83Å; T18-T22 CarbonylContact O-C 3.52Å; T18-T22 WeakPolarHBondContact O-CA 3.48Å; T18-T22 PolarHBondContact O-N 3.22Å; T18-T22 PolarHBondContact O-OG1 3.15Å; T18-H25 PolarHBondContact OG1-NE2 2.93Å; T18-D115 HydrophobicContact CG2-CB 3.81Å |
| 19 | D | 90.3 | Very high | 76.3 | Confident | 77 Ų | 77 | 79 Ų | 79 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.9 | -27.1 | 176.9 | -58.8 | -27.1 | 0 | 0 | 0 | 111.8 | N16 I17 P23 H25 | N16-D19 WeakPolarHBondContact CB-OD2 3.4Å; N16-D19 WeakPolarHBondContact O-CB 3.3Å; N16-D19 PolarHBondContact O-N 3.21Å; N16-D19 VanDerWaalsContact O-N 3.13Å; I17-D19 VanDerWaalsContact C-N 3.26Å; I17-D19 PolarHBondContact O-N 3.16Å; D19-P23 WeakPolarHBondContact O-CA 3.16Å; D19-P23 WeakPolarHBondContact O-CG 3.23Å; D19-H25 IonicContact OD1-CD2 2.78Å; D19-H25 PolarHBondContact OD1-CD2 3.22Å; D19-H25 IonicContact OD1-CE1 3.55Å; D19-H25 IonicContact OD1-NE2 3.36Å; D19-H25 PolarHBondContact OD1-NE2 3.34Å |
| 20 | V | 88.9 | Confident | 79.2 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 39% | 0.388 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -79.7 | -48 | 178.4 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | V15 N16 I17 T18 L101 | V15-V20 HydrophobicContact CG1-CG2 3.66Å; N16-V20 PolarHBondContact O-N 2.9Å; I17-V20 HydrophobicContact CD1-CB 4.37Å; I17-V20 WeakPolarHBondContact O-CB 3.41Å; I17-V20 PolarHBondContact O-N 2.93Å; I17-V20 VanDerWaalsContact O-N 3.08Å; T18-V20 VanDerWaalsContact C-N 3.27Å; T18-V20 PolarHBondContact O-N 2.83Å; V20-L101 HydrophobicContact CG2-CD1 4.04Å |
| 21 | V | 90.8 | Very high | 82.2 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -91.2 | -27.8 | -171.4 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | I17 F99 C116 | I17-V21 HydrophobicContact CD1-CG1 4.28Å; I17-V21 HydrophobicContact CG1-CG1 4.4Å; I17-V21 WeakPolarHBondContact O-CG2 3.32Å; I17-V21 PolarHBondContact O-N 3.25Å; V21-F99 HydrophobicContact CB-CD2 4.43Å; V21-F99 HydrophobicContact CG1-CB 3.81Å; V21-F99 HydrophobicContact CG1-CD1 4.34Å; V21-F99 HydrophobicContact CG1-CD2 3.75Å; V21-F99 HydrophobicContact CG1-CE2 4.39Å; V21-F99 HydrophobicContact CG1-CG 3.72Å; V21-F99 HydrophobicContact CG2-CD2 4.28Å; V21-F99 HydrophobicContact CG2-CE2 4.47Å; V21-C116 VanDerWaalsContact CG2-SG 3.52Å |
| 22 | T | 92.1 | Very high | 85 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | trans | -135.4 | 72.7 | 176.5 | 40.1 | 0 | 0 | 0 | 0 | 109.9 | T18 W24 H25 H118 | T18-T22 CarbonylContact O-C 3.52Å; T18-T22 WeakPolarHBondContact O-CA 3.48Å; T18-T22 PolarHBondContact O-N 3.22Å; T18-T22 PolarHBondContact O-OG1 3.15Å; T22-W24 PolarHBondContact O-N 3.19Å; T22-H25 VanDerWaalsContact O-CB 3.29Å; T22-H25 WeakPolarHBondContact O-CB 3.24Å; T22-H25 PolarHBondContact O-CD2 3.41Å; T22-H25 PolarHBondContact O-N 3.35Å; T22-H118 HydrophobicContact CG2-CB 4.14Å; T22-H118 WeakPolarHBondContact CG2-ND1 3.23Å | ||
| 23 | P | 91.1 | Very high | 87.7 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 54% | 0.539 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -13.5 | -169.9 | -24.9 | 33.5 | 0 | 0 | 0 | 116.2 | D19 | D19-P23 WeakPolarHBondContact O-CA 3.16Å; D19-P23 WeakPolarHBondContact O-CG 3.23Å |
| 24 | W | 93 | Very high | 90.3 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 28% | 0.284 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 25.9 | 178.6 | -61.1 | -12 | 0 | 0 | 0 | 112.1 | T22 D26 V27 Q32 R35 K36 | T22-W24 PolarHBondContact O-N 3.19Å; W24-D26 PolarHBondContact O-N 3.47Å; W24-V27 HydrophobicContact CB-CB 4.14Å; W24-V27 HydrophobicContact CB-CG2 4.1Å; W24-V27 HydrophobicContact CG-CG2 4.5Å; W24-V27 PolarHBondContact O-N 3.25Å; W24-V27 VanDerWaalsContact O-N 3.14Å; W24-Q32 HydrophobicContact CB-CG 3.98Å; W24-Q32 HydrophobicContact CD2-CG 4.42Å; W24-Q32 HydrophobicContact CE3-CB 3.76Å; W24-Q32 HydrophobicContact CE3-CG 3.7Å; W24-Q32 HydrophobicContact CZ3-CB 4.08Å; W24-Q32 HydrophobicContact CZ3-CG 4.49Å; W24-Q32 WeakPolarHBondContact CZ3-O 3.29Å; W24-Q32 PolarHBondContact O-NE2 3.35Å; W24-R35 HydrophobicContact CH2-CB 3.82Å; W24-R35 HydrophobicContact CZ2-CB 4.4Å; W24-R35 HydrophobicContact CZ3-CB 4.22Å; W24-K36 HydrophobicContact CH2-CG 3.98Å; W24-K36 HydrophobicContact CZ3-CD 4.08Å; W24-K36 HydrophobicContact CZ3-CG 3.72Å |
| 25 | H | 91.4 | Very high | 91.9 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 21% | 0.213 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.3 | -177 | 70.3 | 92 | 0 | 0 | 0 | 113.7 | T18 D19 T22 K117 | T18-H25 PolarHBondContact OG1-NE2 2.93Å; D19-H25 IonicContact OD1-CD2 2.78Å; D19-H25 PolarHBondContact OD1-CD2 3.22Å; D19-H25 IonicContact OD1-CE1 3.55Å; D19-H25 IonicContact OD1-NE2 3.36Å; D19-H25 PolarHBondContact OD1-NE2 3.34Å; T22-H25 VanDerWaalsContact O-CB 3.29Å; T22-H25 WeakPolarHBondContact O-CB 3.24Å; T22-H25 PolarHBondContact O-CD2 3.41Å; T22-H25 PolarHBondContact O-N 3.35Å; H25-K117 PolarHBondContact O-NZ 3.46Å |
| 26 | D | 91.4 | Very high | 92.9 | Very high | 120 Ų | 120 | 62.8 Ų | 62.8 | 64% | 0.642 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -6.7 | 179 | 64.9 | -29.6 | 0 | 0 | 0 | 113.4 | W24 | W24-D26 PolarHBondContact O-N 3.47Š|
| 27 | V | 94.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -93.1 | 135.8 | 178.7 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | W24 E31 Q32 | W24-V27 HydrophobicContact CB-CB 4.14Å; W24-V27 HydrophobicContact CB-CG2 4.1Å; W24-V27 HydrophobicContact CG-CG2 4.5Å; W24-V27 PolarHBondContact O-N 3.25Å; W24-V27 VanDerWaalsContact O-N 3.14Å; V27-E31 HydrophobicContact CG1-CB 3.76Å; V27-E31 HydrophobicContact CG1-CG 3.71Å; V27-Q32 HydrophobicContact CB-CG 3.96Å; V27-Q32 HydrophobicContact CG1-CG 3.82Å; V27-Q32 PolarHBondContact O-NE2 2.92Å |
| 28 | S | 95.7 | Very high | 93.5 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | trans | -58.1 | 146.8 | 176.4 | 75 | 0 | 0 | 0 | 0 | 111.4 | E30 E31 Q32 | S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 2.77Å; S28-E31 PolarHBondContact O-N 2.84Å; S28-E31 VanDerWaalsContact OG-CB 3.25Å; S28-E31 WeakPolarHBondContact OG-CB 3.24Å; S28-E31 PolarHBondContact OG-N 3Å; S28-Q32 WeakPolarHBondContact O-CG 3.39Å; S28-Q32 PolarHBondContact O-N 3.23Å | ||
| 29 | Y | 95 | Very high | 93.5 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 18% | 0.184 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -36.5 | -176 | -171.5 | -130 | 0 | 0 | 0 | 112.4 | Q32 L33 A73 S74 E77 | Y29-Q32 WeakPolarHBondContact O-CB 3.16Å; Y29-Q32 PolarHBondContact O-N 2.8Å; Y29-L33 HydrophobicContact CD1-CD1 4.27Å; Y29-L33 HydrophobicContact CE1-CD1 4.05Å; Y29-L33 HydrophobicContact CE2-CD2 4.25Å; Y29-L33 HydrophobicContact CE2-CG 4.44Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 3.4Å; Y29-A73 HydrophobicContact CE1-CB 3.98Å; Y29-S74 WeakPolarHBondContact OH-CB 3.38Å; Y29-S74 PolarHBondContact OH-N 2.82Å; Y29-E77 VanDerWaalsContact CD1-CD 3.47Å; Y29-E77 HydrophobicContact CD1-CG 3.61Å; Y29-E77 WeakPolarHBondContact CD1-OE1 3.49Å; Y29-E77 HydrophobicContact CD2-CG 4.46Å; Y29-E77 HydrophobicContact CE1-CG 3.86Å; Y29-E77 HydrophobicContact CG-CG 3.95Å |
| 30 | E | 95.8 | Very high | 93.6 | Very high | 143 Ų | 143 | 66.7 Ų | 66.7 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.2 | -51.4 | 173.6 | -173.1 | 171.8 | -164.5 | 0 | 0 | 111.7 | S28 Q32 L33 E34 | S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 2.77Å; E30-Q32 VanDerWaalsContact C-N 3.28Å; E30-Q32 PolarHBondContact O-N 2.83Å; E30-L33 WeakPolarHBondContact O-CB 3.14Å; E30-L33 PolarHBondContact O-N 3.04Å; E30-E34 PolarHBondContact O-N 2.93Å |
| 31 | E | 97.2 | Very high | 93.6 | Very high | 73 Ų | 73 | 66 Ų | 66 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 177.1 | -176 | -177.9 | 175.8 | 0 | 0 | 112.1 | V27 S28 L33 E34 R35 | V27-E31 HydrophobicContact CG1-CB 3.76Å; V27-E31 HydrophobicContact CG1-CG 3.71Å; S28-E31 PolarHBondContact O-N 2.84Å; S28-E31 VanDerWaalsContact OG-CB 3.25Å; S28-E31 WeakPolarHBondContact OG-CB 3.24Å; S28-E31 PolarHBondContact OG-N 3Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.2Å; E31-E34 PolarHBondContact O-N 3.15Å; E31-R35 WeakPolarHBondContact O-CB 3.47Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.46Å; E31-R35 PolarHBondContact O-N 3.34Å; E31-R35 IonicContact OE1-CZ 3.01Å; E31-R35 VanDerWaalsContact OE1-CZ 3.26Å; E31-R35 IonicContact OE1-NE 2.72Å; E31-R35 PolarHBondContact OE1-NE 3.28Å; E31-R35 IonicContact OE1-NH2 2.7Å; E31-R35 PolarHBondContact OE1-NH2 3.38Å |
| 32 | Q | 95.5 | Very high | 93.7 | Very high | 35 Ų | 35 | 66.7 Ų | 66.7 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 172.6 | -66.1 | 178.9 | 36.6 | 0 | 0 | 112 | W24 V27 S28 Y29 E30 K36 | W24-Q32 HydrophobicContact CB-CG 3.98Å; W24-Q32 HydrophobicContact CD2-CG 4.42Å; W24-Q32 HydrophobicContact CE3-CB 3.76Å; W24-Q32 HydrophobicContact CE3-CG 3.7Å; W24-Q32 HydrophobicContact CZ3-CB 4.08Å; W24-Q32 HydrophobicContact CZ3-CG 4.49Å; W24-Q32 WeakPolarHBondContact CZ3-O 3.29Å; W24-Q32 PolarHBondContact O-NE2 3.35Å; V27-Q32 HydrophobicContact CB-CG 3.96Å; V27-Q32 HydrophobicContact CG1-CG 3.82Å; V27-Q32 PolarHBondContact O-NE2 2.92Å; S28-Q32 WeakPolarHBondContact O-CG 3.39Å; S28-Q32 PolarHBondContact O-N 3.23Å; Y29-Q32 WeakPolarHBondContact O-CB 3.16Å; Y29-Q32 PolarHBondContact O-N 2.8Å; E30-Q32 VanDerWaalsContact C-N 3.28Å; E30-Q32 PolarHBondContact O-N 2.83Å; Q32-K36 WeakPolarHBondContact O-CD 3.11Å; Q32-K36 WeakPolarHBondContact O-CG 3.35Å; Q32-K36 PolarHBondContact O-N 2.92Å; Q32-K36 VanDerWaalsContact O-N 3.08Å |
| 33 | L | 96.2 | Very high | 93.5 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 18% | 0.183 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.4 | -43 | 177.3 | -64.2 | 172.6 | 0 | 0 | 0 | 110.6 | Y29 E30 E31 R35 K36 H37 I71 A73 | Y29-L33 HydrophobicContact CD1-CD1 4.27Å; Y29-L33 HydrophobicContact CE1-CD1 4.05Å; Y29-L33 HydrophobicContact CE2-CD2 4.25Å; Y29-L33 HydrophobicContact CE2-CG 4.44Å; Y29-L33 WeakPolarHBondContact O-CG 3.38Å; Y29-L33 PolarHBondContact O-N 3.4Å; E30-L33 WeakPolarHBondContact O-CB 3.14Å; E30-L33 PolarHBondContact O-N 3.04Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.2Å; L33-R35 PolarHBondContact O-N 3.42Å; L33-K36 PolarHBondContact O-N 2.92Å; L33-H37 WeakPolarHBondContact O-CB 3.14Å; L33-H37 PolarHBondContact O-N 3.36Å; L33-I71 HydrophobicContact CD2-CG2 3.69Å; L33-A73 HydrophobicContact CD1-CB 3.84Å |
| 34 | E | 96.5 | Very high | 93.2 | Very high | 125 Ų | 125 | 63.5 Ų | 63.5 | 58% | 0.584 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.8 | -47.1 | 175.5 | -68.9 | -177.9 | 162.4 | 0 | 0 | 112.2 | E30 E31 K36 H37 A38 | E30-E34 PolarHBondContact O-N 2.93Å; E31-E34 PolarHBondContact O-N 3.15Å; E34-K36 PolarHBondContact O-N 2.95Å; E34-H37 PolarHBondContact O-N 3.33Å; E34-A38 PolarHBondContact O-N 3.35Å |
| 35 | R | 95.2 | Very high | 92.9 | Very high | 82 Ų | 82 | 63.6 Ų | 63.6 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.9 | -71 | 174.2 | -177.5 | -166.1 | 5.1 | 111.7 | W24 E31 L33 H37 A38 D39 | W24-R35 HydrophobicContact CH2-CB 3.82Å; W24-R35 HydrophobicContact CZ2-CB 4.4Å; W24-R35 HydrophobicContact CZ3-CB 4.22Å; E31-R35 WeakPolarHBondContact O-CB 3.47Å; E31-R35 VanDerWaalsContact O-CG 3.28Å; E31-R35 WeakPolarHBondContact O-CG 3.46Å; E31-R35 PolarHBondContact O-N 3.34Å; E31-R35 IonicContact OE1-CZ 3.01Å; E31-R35 VanDerWaalsContact OE1-CZ 3.26Å; E31-R35 IonicContact OE1-NE 2.72Å; E31-R35 PolarHBondContact OE1-NE 3.28Å; E31-R35 IonicContact OE1-NH2 2.7Å; E31-R35 PolarHBondContact OE1-NH2 3.38Å; L33-R35 PolarHBondContact O-N 3.42Å; R35-H37 VanDerWaalsContact C-N 3.31Å; R35-H37 PolarHBondContact O-N 2.78Å; R35-A38 PolarHBondContact O-N 2.97Å; R35-D39 PolarHBondContact O-N 3.14Å |
| 36 | K | 93.1 | Very high | 92.6 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 34% | 0.339 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.4 | -79.6 | 160.8 | -176 | 166 | 0 | 112 | W24 Q32 L33 E34 A38 D39 C40 I71 | W24-K36 HydrophobicContact CH2-CG 3.98Å; W24-K36 HydrophobicContact CZ3-CD 4.08Å; W24-K36 HydrophobicContact CZ3-CG 3.72Å; Q32-K36 WeakPolarHBondContact O-CD 3.11Å; Q32-K36 WeakPolarHBondContact O-CG 3.35Å; Q32-K36 PolarHBondContact O-N 2.92Å; Q32-K36 VanDerWaalsContact O-N 3.08Å; L33-K36 PolarHBondContact O-N 2.92Å; E34-K36 PolarHBondContact O-N 2.95Å; K36-A38 VanDerWaalsContact C-N 3.34Å; K36-D39 PolarHBondContact O-N 2.83Å; K36-C40 WeakPolarHBondContact O-CB 3.31Å; K36-C40 PolarHBondContact O-N 3.41Å; K36-C40 PolarHBondContact O-SG 2.79Å; K36-I71 HydrophobicContact CB-CD1 3.4Å |
| 37 | H | 94.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 179.2 | -174.2 | -92.8 | 0 | 0 | 0 | 110.8 | L33 E34 R35 C40 L41 I71 | L33-H37 WeakPolarHBondContact O-CB 3.14Å; L33-H37 PolarHBondContact O-N 3.36Å; E34-H37 PolarHBondContact O-N 3.33Å; R35-H37 VanDerWaalsContact C-N 3.31Å; R35-H37 PolarHBondContact O-N 2.78Å; H37-C40 PolarHBondContact O-N 3.33Å; H37-L41 WeakPolarHBondContact O-CB 3.46Å; H37-L41 PolarHBondContact O-N 2.91Å; H37-I71 HydrophobicContact CB-CD1 3.86Å; H37-I71 HydrophobicContact CB-CG1 4.21Å; H37-I71 VanDerWaalsContact N-CD1 3.31Å |
| 38 | A | 94 | Very high | 91.5 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E34 R35 K36 L41 A42 | E34-A38 PolarHBondContact O-N 3.35Å; R35-A38 PolarHBondContact O-N 2.97Å; K36-A38 VanDerWaalsContact C-N 3.34Å; A38-L41 PolarHBondContact O-N 3.47Å; A38-A42 WeakPolarHBondContact O-CB 3.27Å; A38-A42 PolarHBondContact O-N 2.95Å |
| 39 | D | 91.4 | Very high | 90.7 | Very high | 96 Ų | 96 | 59 Ų | 59 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 176.2 | -72.8 | -19.2 | 0 | 0 | 0 | 111.9 | R35 K36 L41 A42 F43 | R35-D39 PolarHBondContact O-N 3.14Å; K36-D39 PolarHBondContact O-N 2.83Å; D39-L41 PolarHBondContact O-N 3.4Å; D39-A42 PolarHBondContact O-N 3.15Å; D39-F43 WeakPolarHBondContact O-CB 3.34Å; D39-F43 PolarHBondContact O-N 3.24Å |
| 40 | C | 91.6 | Very high | 89.8 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 25% | 0.25 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 175 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | K36 H37 F43 L44 L68 | K36-C40 WeakPolarHBondContact O-CB 3.31Å; K36-C40 PolarHBondContact O-N 3.41Å; K36-C40 PolarHBondContact O-SG 2.79Å; H37-C40 PolarHBondContact O-N 3.33Å; C40-F43 PolarHBondContact O-N 2.82Å; C40-L44 VanDerWaalsContact O-CB 3.3Å; C40-L44 WeakPolarHBondContact O-CB 3.38Å; C40-L44 PolarHBondContact O-N 3.37Å; C40-L68 HydrophobicContact CB-CD1 4.1Å; C40-L68 HydrophobicContact CB-CD2 4.46Å |
| 41 | L | 90.2 | Very high | 88.6 | Confident | 49 Ų | 49 | 52.3 Ų | 52.3 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 177 | -178.7 | 61.3 | 0 | 0 | 0 | 111.9 | H37 A38 D39 L44 K45 L68 | H37-L41 WeakPolarHBondContact O-CB 3.46Å; H37-L41 PolarHBondContact O-N 2.91Å; A38-L41 PolarHBondContact O-N 3.47Å; D39-L41 PolarHBondContact O-N 3.4Å; L41-L44 PolarHBondContact O-N 3.23Å; L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.37Å; L41-K45 PolarHBondContact O-N 3.34Å; L41-K45 VanDerWaalsContact O-N 3.09Å; L41-L68 HydrophobicContact CB-CD2 3.76Å; L41-L68 HydrophobicContact CD1-CD2 4.06Å; L41-L68 HydrophobicContact CG-CD2 4.48Å |
| 42 | A | 91.6 | Very high | 87.1 | Confident | 59 Ų | 59 | 49 Ų | 49 | 49% | 0.488 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A38 D39 K45 D46 | A38-A42 WeakPolarHBondContact O-CB 3.27Å; A38-A42 PolarHBondContact O-N 2.95Å; D39-A42 PolarHBondContact O-N 3.15Å; A42-K45 PolarHBondContact O-N 3.36Å; A42-D46 PolarHBondContact O-N 2.78Å |
| 43 | F | 88.6 | Confident | 85.6 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 174.5 | 173.9 | -92.8 | 0 | 0 | 0 | 112 | D39 C40 K45 D46 V47 I375 M376 K379 M382 | D39-F43 WeakPolarHBondContact O-CB 3.34Å; D39-F43 PolarHBondContact O-N 3.24Å; C40-F43 PolarHBondContact O-N 2.82Å; F43-K45 PolarHBondContact O-N 3.24Å; F43-D46 PolarHBondContact O-N 2.89Å; F43-V47 HydrophobicContact CD1-CG2 3.88Å; F43-V47 HydrophobicContact CD2-CG2 3.99Å; F43-V47 HydrophobicContact CE1-CB 4.33Å; F43-V47 HydrophobicContact CE1-CG2 3.37Å; F43-V47 HydrophobicContact CE2-CG2 3.49Å; F43-V47 VanDerWaalsContact CE2-CG2 3.49Å; F43-V47 HydrophobicContact CG-CG2 4.19Å; F43-V47 HydrophobicContact CZ-CB 4.48Å; F43-V47 HydrophobicContact CZ-CG2 3.17Å; F43-V47 WeakPolarHBondContact O-CG2 3.49Å; F43-V47 PolarHBondContact O-N 3.37Å; F43-I375 HydrophobicContact CB-CD1 3.9Å; F43-I375 HydrophobicContact CB-CG1 4.37Å; F43-I375 HydrophobicContact CD1-CD1 3.26Å; F43-I375 HydrophobicContact CD1-CG1 3.31Å; F43-I375 HydrophobicContact CD2-CB 4.48Å; F43-I375 HydrophobicContact CD2-CD1 4.34Å; F43-I375 HydrophobicContact CD2-CG1 3.87Å; F43-I375 HydrophobicContact CD2-CG2 4.15Å; F43-I375 HydrophobicContact CE1-CD1 3.77Å; F43-I375 HydrophobicContact CE1-CG1 3.32Å; F43-I375 HydrophobicContact CE2-CB 4.48Å; F43-I375 HydrophobicContact CE2-CG1 3.88Å; F43-I375 WeakPolarHBondContact CE2-O 3.45Å; F43-I375 HydrophobicContact CG-CD1 3.56Å; F43-I375 HydrophobicContact CG-CG1 3.57Å; F43-I375 HydrophobicContact CG-CG2 4.3Å; F43-I375 HydrophobicContact CZ-CD1 4.47Å; F43-I375 HydrophobicContact CZ-CG1 3.59Å; F43-I375 WeakPolarHBondContact CZ-O 3.36Å; F43-M376 HydrophobicContact CD2-SD 3.79Å; F43-M376 HydrophobicContact CE2-SD 4.3Å; F43-K379 HydrophobicContact CE2-CB 3.97Å; F43-K379 HydrophobicContact CZ-CB 4.17Å; F43-M382 HydrophobicContact CE1-CE 4.48Å; F43-M382 HydrophobicContact CE1-SD 3.63Å; F43-M382 HydrophobicContact CZ-SD 3.87Å |
| 44 | L | 85.5 | Confident | 83.9 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -38 | -178.7 | -172.2 | 61.6 | 0 | 0 | 0 | 111.1 | C40 L41 S48 H64 L68 | C40-L44 VanDerWaalsContact O-CB 3.3Å; C40-L44 WeakPolarHBondContact O-CB 3.38Å; C40-L44 PolarHBondContact O-N 3.37Å; L41-L44 PolarHBondContact O-N 3.23Å; L44-S48 WeakPolarHBondContact O-CB 3.31Å; L44-S48 PolarHBondContact O-N 3.01Å; L44-S48 PolarHBondContact O-OG 3.2Å; L44-H64 HydrophobicContact CB-CB 4.46Å; L44-H64 HydrophobicContact CD2-CB 4.27Å; L44-H64 VanDerWaalsContact CD2-ND1 3.29Å; L44-H64 WeakPolarHBondContact CD2-ND1 3.34Å; L44-H64 HydrophobicContact CG-CB 3.87Å; L44-L68 HydrophobicContact CD2-CB 3.97Å |
| 45 | K | 86.6 | Confident | 82 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 33% | 0.33 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 172.4 | -69.6 | 172.5 | 176.7 | 172.3 | 0 | 112.4 | L41 A42 F43 S48 L49 R63 H64 | L41-K45 VanDerWaalsContact O-CG 3.31Å; L41-K45 WeakPolarHBondContact O-CG 3.37Å; L41-K45 PolarHBondContact O-N 3.34Å; L41-K45 VanDerWaalsContact O-N 3.09Å; A42-K45 PolarHBondContact O-N 3.36Å; F43-K45 PolarHBondContact O-N 3.24Å; K45-S48 PolarHBondContact O-N 2.85Å; K45-L49 WeakPolarHBondContact O-CB 3.45Å; K45-L49 PolarHBondContact O-N 3.01Å; K45-R63 WeakPolarHBondContact CA-O 3.27Å; K45-R63 WeakPolarHBondContact CB-O 3.32Å; K45-R63 HydrophobicContact CD-CB 4.26Å; K45-R63 HydrophobicContact CG-CB 4.12Å; K45-R63 WeakPolarHBondContact CG-O 3.34Å; K45-H64 HydrophobicContact CG-CB 4Å |
| 46 | D | 85.1 | Confident | 80 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 179.1 | 174.9 | 42.1 | 0 | 0 | 0 | 112.6 | A42 F43 L49 A50 K379 | A42-D46 PolarHBondContact O-N 2.78Å; F43-D46 PolarHBondContact O-N 2.89Å; D46-L49 PolarHBondContact O-N 3.33Å; D46-A50 WeakPolarHBondContact O-CB 3.35Å; D46-A50 PolarHBondContact O-N 2.9Å; D46-K379 IonicContact OD1-NZ 3.02Å; D46-K379 PolarHBondContact OD1-NZ 3.43Å; D46-K379 WeakPolarHBondContact OD2-CE 3.29Å; D46-K379 IonicContact OD2-NZ 3.05Å; D46-K379 PolarHBondContact OD2-NZ 2.84Å |
| 47 | V | 81.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 175 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | F43 L49 A50 M51 K379 M382 I383 | F43-V47 HydrophobicContact CD1-CG2 3.88Å; F43-V47 HydrophobicContact CD2-CG2 3.99Å; F43-V47 HydrophobicContact CE1-CB 4.33Å; F43-V47 HydrophobicContact CE1-CG2 3.37Å; F43-V47 HydrophobicContact CE2-CG2 3.49Å; F43-V47 VanDerWaalsContact CE2-CG2 3.49Å; F43-V47 HydrophobicContact CG-CG2 4.19Å; F43-V47 HydrophobicContact CZ-CB 4.48Å; F43-V47 HydrophobicContact CZ-CG2 3.17Å; F43-V47 WeakPolarHBondContact O-CG2 3.49Å; F43-V47 PolarHBondContact O-N 3.37Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 3.27Å; V47-A50 PolarHBondContact O-N 3.2Å; V47-A50 VanDerWaalsContact O-N 3.15Å; V47-M51 HydrophobicContact CG1-CG 4.17Å; V47-M51 HydrophobicContact CG1-SD 3.71Å; V47-M51 WeakPolarHBondContact O-CB 3.24Å; V47-M51 VanDerWaalsContact O-CG 3.27Å; V47-M51 WeakPolarHBondContact O-CG 3.34Å; V47-M51 PolarHBondContact O-N 3.46Å; V47-K379 HydrophobicContact CG2-CB 4.11Å; V47-K379 HydrophobicContact CG2-CD 4.13Å; V47-K379 HydrophobicContact CG2-CG 3.8Å; V47-M382 HydrophobicContact CG1-CB 4.01Å; V47-M382 HydrophobicContact CG1-SD 4.41Å; V47-I383 HydrophobicContact CG1-CG1 4.4Å |
| 48 | S | 81.2 | Confident | 75.6 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 177 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | L44 K45 M51 A52 H64 Y65 | L44-S48 WeakPolarHBondContact O-CB 3.31Å; L44-S48 PolarHBondContact O-N 3.01Å; L44-S48 PolarHBondContact O-OG 3.2Å; K45-S48 PolarHBondContact O-N 2.85Å; S48-M51 PolarHBondContact O-N 2.91Å; S48-A52 WeakPolarHBondContact O-CB 3.45Å; S48-A52 PolarHBondContact O-N 3.17Å; S48-H64 VanDerWaalsContact OG-CA 3.31Å; S48-H64 WeakPolarHBondContact OG-CA 3.49Å; S48-Y65 VanDerWaalsContact O-CE2 3.26Å; S48-Y65 WeakPolarHBondContact O-CE2 3.29Å; S48-Y65 PolarHBondContact OG-N 3.16Å |
| 49 | L | 79.1 | Confident | 73.8 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 47% | 0.466 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 172.7 | -178.7 | 61.4 | 0 | 0 | 0 | 111.1 | K45 D46 V47 A52 V53 I59 | K45-L49 WeakPolarHBondContact O-CB 3.45Å; K45-L49 PolarHBondContact O-N 3.01Å; D46-L49 PolarHBondContact O-N 3.33Å; V47-L49 VanDerWaalsContact C-N 3.32Å; V47-L49 PolarHBondContact O-N 3.27Å; L49-A52 WeakPolarHBondContact O-CB 3.31Å; L49-A52 PolarHBondContact O-N 2.81Å; L49-V53 HydrophobicContact CD1-CG2 4.4Å; L49-V53 WeakPolarHBondContact O-CG2 3.42Å; L49-V53 PolarHBondContact O-N 2.85Å; L49-I59 HydrophobicContact CB-CD1 3.82Å; L49-I59 HydrophobicContact CD1-CD1 4.28Å |
| 50 | A | 76.2 | Confident | 72.2 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D46 V47 A52 V53 A54 I383 | D46-A50 WeakPolarHBondContact O-CB 3.35Å; D46-A50 PolarHBondContact O-N 2.9Å; V47-A50 PolarHBondContact O-N 3.2Å; V47-A50 VanDerWaalsContact O-N 3.15Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A50-V53 PolarHBondContact O-N 3.49Å; A50-A54 VanDerWaalsContact O-CB 3.23Å; A50-A54 WeakPolarHBondContact O-CB 3.28Å; A50-A54 PolarHBondContact O-N 2.82Å; A50-I383 HydrophobicContact CB-CD1 3.57Å; A50-I383 HydrophobicContact CB-CG1 4.22Å |
| 51 | M | 69.4 | Low | 70.9 | Confident | 25 Ų | 25 | 41 Ų | 41 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 172.3 | -70.5 | 163.7 | 72.7 | 0 | 0 | 111 | V47 S48 A54 G55 Y65 I383 H386 | V47-M51 HydrophobicContact CG1-CG 4.17Å; V47-M51 HydrophobicContact CG1-SD 3.71Å; V47-M51 WeakPolarHBondContact O-CB 3.24Å; V47-M51 VanDerWaalsContact O-CG 3.27Å; V47-M51 WeakPolarHBondContact O-CG 3.34Å; V47-M51 PolarHBondContact O-N 3.46Å; S48-M51 PolarHBondContact O-N 2.91Å; M51-A54 PolarHBondContact O-N 3.25Å; M51-G55 WeakPolarHBondContact O-CA 3.49Å; M51-G55 PolarHBondContact O-N 2.83Å; M51-Y65 HydrophobicContact CB-CD2 4.4Å; M51-Y65 HydrophobicContact CB-CE2 4.13Å; M51-Y65 HydrophobicContact CE-CD2 4.23Å; M51-Y65 HydrophobicContact SD-CD2 4.33Å; M51-I383 HydrophobicContact CG-CB 4.43Å; M51-I383 HydrophobicContact CG-CG1 3.91Å; M51-H386 HydrophobicContact CE-CB 3.66Å; M51-H386 WeakPolarHBondContact CE-ND1 3.32Å; M51-H386 HydrophobicContact CG-CB 4.36Å |
| 52 | A | 66.5 | Low | 69.9 | Low | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -48 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S48 L49 A50 G55 K56 E57 Y65 | S48-A52 WeakPolarHBondContact O-CB 3.45Å; S48-A52 PolarHBondContact O-N 3.17Å; L49-A52 WeakPolarHBondContact O-CB 3.31Å; L49-A52 PolarHBondContact O-N 2.81Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A52-G55 CarbonylContact O-C 3.43Å; A52-G55 PolarHBondContact O-N 2.94Å; A52-K56 CarbonylContact O-C 3.58Å; A52-K56 VanDerWaalsContact O-CA 3.31Å; A52-K56 WeakPolarHBondContact O-CA 3.28Å; A52-K56 PolarHBondContact O-N 3.46Å; A52-E57 CarbonylContact C-O 3.57Å; A52-E57 HydrophobicContact CB-CB 4.27Å; A52-E57 WeakPolarHBondContact CB-O 3.31Å; A52-E57 PolarHBondContact O-N 2.94Å; A52-Y65 HydrophobicContact CB-CE2 4.26Å; A52-Y65 WeakPolarHBondContact CB-OH 3.32Å |
| 53 | V | 63.7 | Low | 69.1 | Low | 68 Ų | 68 | 46.2 Ų | 46.2 | 41% | 0.412 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | L49 A50 G55 K56 | L49-V53 HydrophobicContact CD1-CG2 4.4Å; L49-V53 WeakPolarHBondContact O-CG2 3.42Å; L49-V53 PolarHBondContact O-N 2.85Å; A50-V53 PolarHBondContact O-N 3.49Å; V53-G55 VanDerWaalsContact C-N 3.31Å; V53-G55 PolarHBondContact O-N 2.91Å; V53-K56 PolarHBondContact O-N 3.42Å |
| 54 | A | 59.7 | Low | 68.6 | Low | 60 Ų | 60 | 47 Ų | 47 | 50% | 0.496 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A50 M51 I383 | A50-A54 VanDerWaalsContact O-CB 3.23Å; A50-A54 WeakPolarHBondContact O-CB 3.28Å; A50-A54 PolarHBondContact O-N 2.82Å; M51-A54 PolarHBondContact O-N 3.25Å; A54-I383 HydrophobicContact CB-CG2 3.94Å |
| 55 | G | 57.7 | Low | 67.6 | Low | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -85.9 | -2.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | M51 A52 V53 E57 V388 | M51-G55 WeakPolarHBondContact O-CA 3.49Å; M51-G55 PolarHBondContact O-N 2.83Å; A52-G55 CarbonylContact O-C 3.43Å; A52-G55 PolarHBondContact O-N 2.94Å; V53-G55 VanDerWaalsContact C-N 3.31Å; V53-G55 PolarHBondContact O-N 2.91Å; G55-E57 WeakPolarHBondContact O-CG 3.27Å; G55-E57 PolarHBondContact O-N 2.89Å; G55-V388 VanDerWaalsContact CA-CG1 3.46Å; G55-V388 WeakPolarHBondContact O-CG1 3.37Å |
| 56 | K | 52.5 | Low | 66.9 | Low | 102 Ų | 102 | 47.4 Ų | 47.4 | 44% | 0.443 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 42.7 | -171 | -57.6 | 169.1 | 171 | -176.7 | 0 | 112.3 | A52 V53 M611 | A52-K56 CarbonylContact O-C 3.58Å; A52-K56 VanDerWaalsContact O-CA 3.31Å; A52-K56 WeakPolarHBondContact O-CA 3.28Å; A52-K56 PolarHBondContact O-N 3.46Å; V53-K56 PolarHBondContact O-N 3.42Å; K56-M611 HydrophobicContact CB-CE 4.27Å; K56-M611 HydrophobicContact CD-CE 3.56Å; K56-M611 HydrophobicContact CD-SD 4.47Å; K56-M611 HydrophobicContact CG-CE 3.9Å; K56-M611 HydrophobicContact CG-SD 4.36Å |
| 57 | E | 48.4 | Very low | 66.4 | Low | 25 Ų | 25 | 52 Ų | 52 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | trans | -106.8 | 168.9 | 179.4 | -28.6 | -174 | 164.1 | 0 | 0 | 109.8 | A52 G55 Y65 H386 K574 | A52-E57 CarbonylContact C-O 3.57Å; A52-E57 HydrophobicContact CB-CB 4.27Å; A52-E57 WeakPolarHBondContact CB-O 3.31Å; A52-E57 PolarHBondContact O-N 2.94Å; G55-E57 WeakPolarHBondContact O-CG 3.27Å; G55-E57 PolarHBondContact O-N 2.89Å; E57-Y65 PolarHBondContact OE2-OH 3.22Å; E57-H386 IonicContact OE1-CD2 3.78Å; E57-H386 IonicContact OE1-NE2 3.79Å; E57-H386 PolarHBondContact OE1-NE2 3.39Å; E57-H386 IonicContact OE2-NE2 3.48Å; E57-K574 IonicContact OE1-NZ 3.64Å; E57-K574 PolarHBondContact OE1-NZ 2.72Å; E57-K574 IonicContact OE2-NZ 2.82Å; E57-K574 PolarHBondContact OE2-NZ 2.84Å | ||
| 58 | T | 46.4 | Very low | 66.5 | Low | 33 Ų | 33 | 54.6 Ų | 54.6 | 20% | 0.202 | 31% | 0.307 | C | S | . | . | trans | -111.5 | 142.3 | 175 | 12.4 | 0 | 0 | 0 | 0 | 111.2 | Y65 I567 S571 | T58-Y65 PolarHBondContact O-OH 2.98Å; T58-I567 HydrophobicContact CG2-CG2 3.21Å; T58-I567 WeakPolarHBondContact CG2-O 2.97Å; T58-I567 PolarHBondContact OG1-O 3.37Å; T58-S571 WeakPolarHBondContact CB-OG 3.47Å; T58-S571 WeakPolarHBondContact OG1-CA 3.23Å; T58-S571 WeakPolarHBondContact OG1-CB 3.3Å; T58-S571 PolarHBondContact OG1-N 3.38Å; T58-S571 VanDerWaalsContact OG1-N 3.16Å; T58-S571 PolarHBondContact OG1-OG 3.16Å | ||
| 59 | I | 57.7 | Low | 66.8 | Low | 54 Ų | 54 | 59.5 Ų | 59.5 | 28% | 0.277 | 33% | 0.33 | S | S | . | . | trans | -73.9 | 137.9 | -175.1 | -151.7 | 169.9 | 0 | 0 | 0 | 110.4 | L49 R63 | L49-I59 HydrophobicContact CB-CD1 3.82Å; L49-I59 HydrophobicContact CD1-CD1 4.28Å; I59-R63 HydrophobicContact CD1-CB 4.4Å; I59-R63 WeakPolarHBondContact CD1-O 3.45Å | ||
| 60 | P | 56.4 | Low | 67.3 | Low | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | trans | -64.2 | 166.6 | 177.6 | 26.2 | -36.4 | 0 | 0 | 0 | 112.1 | S62 R63 H64 Y65 Q575 | P60-S62 VanDerWaalsContact C-N 3.27Å; P60-S62 WeakPolarHBondContact CG-OG 3.45Å; P60-S62 PolarHBondContact O-N 2.96Å; P60-R63 WeakPolarHBondContact O-CA 3.34Å; P60-R63 PolarHBondContact O-N 2.72Å; P60-H64 VanDerWaalsContact CG-C 3.42Å; P60-H64 WeakPolarHBondContact CG-O 3.31Å; P60-Y65 VanDerWaalsContact CD-CE1 3.49Å; P60-Y65 HydrophobicContact CG-CD1 4.02Å; P60-Y65 HydrophobicContact CG-CE1 4.19Å; P60-Q575 VanDerWaalsContact CB-CD 3.47Å; P60-Q575 HydrophobicContact CB-CG 4.49Å; P60-Q575 VanDerWaalsContact CB-OE1 3.24Å | ||
| 61 | S | 64.9 | Low | 68.2 | Low | 82 Ų | 82 | 63.4 Ų | 63.4 | 57% | 0.573 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29.1 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | R63 W572 | S61-R63 PolarHBondContact O-N 2.91Å; S61-R63 VanDerWaalsContact O-N 3.07Å; S61-W572 VanDerWaalsContact CB-CH2 3.41Å; S61-W572 WeakPolarHBondContact OG-CH2 3.18Å |
| 62 | S | 68.8 | Low | 69.4 | Low | 49 Ų | 49 | 66.6 Ų | 66.6 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -15.6 | 166.3 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | P60 H64 | P60-S62 VanDerWaalsContact C-N 3.27Å; P60-S62 WeakPolarHBondContact CG-OG 3.45Å; P60-S62 PolarHBondContact O-N 2.96Å; S62-H64 PolarHBondContact O-CD2 3.15Å; S62-H64 VanDerWaalsContact O-CD2 3.25Å; S62-H64 PolarHBondContact O-N 2.96Å; S62-H64 PolarHBondContact OG-N 3.2Å; S62-H64 PolarHBondContact OG-O 3.09Å |
| 63 | R | 74.6 | Confident | 70.8 | Confident | 169 Ų | 169 | 68.7 Ų | 68.7 | 64% | 0.638 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 62.9 | 15.6 | -170.4 | -53 | -174 | -176.1 | -180 | 0.4 | 113.2 | K45 I59 P60 S61 | K45-R63 WeakPolarHBondContact CA-O 3.27Å; K45-R63 WeakPolarHBondContact CB-O 3.32Å; K45-R63 HydrophobicContact CD-CB 4.26Å; K45-R63 HydrophobicContact CG-CB 4.12Å; K45-R63 WeakPolarHBondContact CG-O 3.34Å; I59-R63 HydrophobicContact CD1-CB 4.4Å; I59-R63 WeakPolarHBondContact CD1-O 3.45Å; P60-R63 WeakPolarHBondContact O-CA 3.34Å; P60-R63 PolarHBondContact O-N 2.72Å; S61-R63 PolarHBondContact O-N 2.91Å; S61-R63 VanDerWaalsContact O-N 3.07Å |
| 64 | H | 77.7 | Confident | 72.3 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -153.8 | 149.3 | 174.1 | 71.5 | 82.1 | 0 | 0 | 0 | 114 | L44 K45 S48 P60 S62 G66 | L44-H64 HydrophobicContact CB-CB 4.46Å; L44-H64 HydrophobicContact CD2-CB 4.27Å; L44-H64 VanDerWaalsContact CD2-ND1 3.29Å; L44-H64 WeakPolarHBondContact CD2-ND1 3.34Å; L44-H64 HydrophobicContact CG-CB 3.87Å; K45-H64 HydrophobicContact CG-CB 4Å; S48-H64 VanDerWaalsContact OG-CA 3.31Å; S48-H64 WeakPolarHBondContact OG-CA 3.49Å; P60-H64 VanDerWaalsContact CG-C 3.42Å; P60-H64 WeakPolarHBondContact CG-O 3.31Å; S62-H64 PolarHBondContact O-CD2 3.15Å; S62-H64 VanDerWaalsContact O-CD2 3.25Å; S62-H64 PolarHBondContact O-N 2.96Å; S62-H64 PolarHBondContact OG-N 3.2Å; S62-H64 PolarHBondContact OG-O 3.09Å; H64-G66 PolarHBondContact CE1-O 2.89Å |
| 65 | Y | 65.8 | Low | 74 | Confident | 51 Ų | 51 | 68 Ų | 68 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -77.7 | 160.2 | 168.2 | -56.6 | -58.5 | 0 | 0 | 0 | 110.8 | S48 M51 A52 E57 T58 P60 | S48-Y65 VanDerWaalsContact O-CE2 3.26Å; S48-Y65 WeakPolarHBondContact O-CE2 3.29Å; S48-Y65 PolarHBondContact OG-N 3.16Å; M51-Y65 HydrophobicContact CB-CD2 4.4Å; M51-Y65 HydrophobicContact CB-CE2 4.13Å; M51-Y65 HydrophobicContact CE-CD2 4.23Å; M51-Y65 HydrophobicContact SD-CD2 4.33Å; A52-Y65 HydrophobicContact CB-CE2 4.26Å; A52-Y65 WeakPolarHBondContact CB-OH 3.32Å; E57-Y65 PolarHBondContact OE2-OH 3.22Å; T58-Y65 PolarHBondContact O-OH 2.98Å; P60-Y65 VanDerWaalsContact CD-CE1 3.49Å; P60-Y65 HydrophobicContact CG-CD1 4.02Å; P60-Y65 HydrophobicContact CG-CE1 4.19Å |
| 66 | G | 71.6 | Confident | 75.8 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 64% | 0.639 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 73.6 | -176.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | H64 | H64-G66 PolarHBondContact CE1-O 2.89Š|
| 67 | I | 75.2 | Confident | 77.7 | Confident | 157 Ų | 157 | 72.7 Ų | 72.7 | 81% | 0.805 | 39% | 0.389 | S | S | * | . | trans | -110.7 | 131.8 | 177.9 | -59.9 | 169.9 | 0 | 0 | 0 | 107.2 | ||||
| 68 | L | 84.1 | Confident | 79.9 | Confident | 55 Ų | 55 | 76 Ų | 76 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | trans | -97.2 | 112.6 | 167.1 | -178.5 | 62.8 | 0 | 0 | 0 | 107.4 | C40 L41 L44 | C40-L68 HydrophobicContact CB-CD1 4.1Å; C40-L68 HydrophobicContact CB-CD2 4.46Å; L41-L68 HydrophobicContact CB-CD2 3.76Å; L41-L68 HydrophobicContact CD1-CD2 4.06Å; L41-L68 HydrophobicContact CG-CD2 4.48Å; L44-L68 HydrophobicContact CD2-CB 3.97Å | ||
| 69 | E | 86.4 | Confident | 82.2 | Confident | 104 Ų | 104 | 75 Ų | 75 | 49% | 0.486 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 156.5 | 170.5 | -69.2 | -175.9 | -164.3 | 0 | 0 | 110.8 | R72 | E69-R72 IonicContact OE2-CZ 2.87Å; E69-R72 IonicContact OE2-NE 3.96Å; E69-R72 IonicContact OE2-NH2 3.67Å; E69-R72 PolarHBondContact OE2-NH2 3.49Å |
| 70 | D | 90.7 | Very high | 84 | Confident | 134 Ų | 134 | 75.8 Ų | 75.8 | 72% | 0.717 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 147.2 | 173.3 | -66.7 | -37.9 | 0 | 0 | 0 | 111.3 | R72 | D70-R72 PolarHBondContact O-N 2.83Š|
| 71 | I | 93.9 | Very high | 85.9 | Confident | 60 Ų | 60 | 79 Ų | 79 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 123.5 | 178.4 | -65.7 | -176 | 0 | 0 | 0 | 109.8 | L33 K36 H37 A73 | L33-I71 HydrophobicContact CD2-CG2 3.69Å; K36-I71 HydrophobicContact CB-CD1 3.4Å; H37-I71 HydrophobicContact CB-CD1 3.86Å; H37-I71 HydrophobicContact CB-CG1 4.21Å; H37-I71 VanDerWaalsContact N-CD1 3.31Å; I71-A73 PolarHBondContact O-N 2.88Å |
| 72 | R | 94.6 | Very high | 87.3 | Confident | 93 Ų | 93 | 75.3 Ų | 75.3 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | trans | -79.7 | 112.2 | 171.4 | -53.1 | -177.8 | -169.4 | -156 | 0.8 | 109.4 | E69 D70 V252 E259 | E69-R72 IonicContact OE2-CZ 2.87Å; E69-R72 IonicContact OE2-NE 3.96Å; E69-R72 IonicContact OE2-NH2 3.67Å; E69-R72 PolarHBondContact OE2-NH2 3.49Å; D70-R72 PolarHBondContact O-N 2.83Å; R72-V252 HydrophobicContact CB-CG1 3.46Å; R72-V252 VanDerWaalsContact CB-CG1 3.46Å; R72-E259 IonicContact CZ-OE2 3.88Å; R72-E259 IonicContact NH1-OE1 2.69Å; R72-E259 PolarHBondContact NH1-OE1 2.7Å; R72-E259 VanDerWaalsContact NH1-OE1 3.12Å; R72-E259 IonicContact NH1-OE2 3.59Å; R72-E259 PolarHBondContact NH1-OE2 2.73Å; R72-E259 IonicContact NH2-OE2 3.78Å; R72-E259 PolarHBondContact NH2-OE2 3.45Å | ||
| 73 | A | 95.8 | Very high | 88.6 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | trans | -68.1 | 148.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y29 L33 I71 | Y29-A73 HydrophobicContact CE1-CB 3.98Å; L33-A73 HydrophobicContact CD1-CB 3.84Å; I71-A73 PolarHBondContact O-N 2.88Å | ||
| 74 | S | 95.4 | Very high | 89.7 | Confident | 19 Ų | 19 | 67 Ų | 67 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | trans | -72.1 | 128.8 | 167.3 | 174.2 | 0 | 0 | 0 | 0 | 108 | Y29 K76 N246 | Y29-S74 WeakPolarHBondContact OH-CB 3.38Å; Y29-S74 PolarHBondContact OH-N 2.82Å; S74-K76 PolarHBondContact O-N 3.23Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-K76 PolarHBondContact OG-N 2.96Å; S74-K76 PolarHBondContact OG-O 3.29Å; S74-N246 PolarHBondContact OG-ND2 3.21Å | ||
| 75 | P | 95.7 | Very high | 90.6 | Very high | 96 Ų | 96 | 70 Ų | 70 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -72.7 | -7 | 179.3 | 33.3 | -38.8 | 0 | 0 | 0 | 112.5 | K248 | P75-K248 HydrophobicContact CG-CB 3.75Š|
| 76 | K | 94.3 | Very high | 92.1 | Very high | 96 Ų | 96 | 67.6 Ų | 67.6 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | trans | -120.6 | 114.5 | 174.9 | -166.4 | 177 | -173.5 | -170.8 | 0 | 110.2 | S74 N78 G79 K248 | S74-K76 PolarHBondContact O-N 3.23Å; S74-K76 VanDerWaalsContact O-N 3.15Å; S74-K76 PolarHBondContact OG-N 2.96Å; S74-K76 PolarHBondContact OG-O 3.29Å; K76-N78 VanDerWaalsContact CE-O 3.3Å; K76-N78 WeakPolarHBondContact CE-O 3.46Å; K76-N78 WeakPolarHBondContact CG-O 3.49Å; K76-G79 VanDerWaalsContact CE-O 3.24Å; K76-G79 WeakPolarHBondContact CE-O 3.47Å; K76-G79 PolarHBondContact NZ-O 3.44Å; K76-K248 HydrophobicContact CB-CB 4.31Å | ||
| 77 | E | 92.6 | Very high | 93.2 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 50% | 0.495 | 33% | 0.331 | S | S | . | . | trans | -91.9 | -36.6 | -176.9 | -63.4 | 178.6 | -157 | 0 | 0 | 113.4 | Y29 Y80 | Y29-E77 VanDerWaalsContact CD1-CD 3.47Å; Y29-E77 HydrophobicContact CD1-CG 3.61Å; Y29-E77 WeakPolarHBondContact CD1-OE1 3.49Å; Y29-E77 HydrophobicContact CD2-CG 4.46Å; Y29-E77 HydrophobicContact CE1-CG 3.86Å; Y29-E77 HydrophobicContact CG-CG 3.95Å; E77-Y80 WeakPolarHBondContact O-CD1 3.3Å; E77-Y80 VanDerWaalsContact O-CE1 3.32Å; E77-Y80 WeakPolarHBondContact O-CE1 3.45Å | ||
| 78 | N | 94.6 | Very high | 94.2 | Very high | 96 Ų | 96 | 58.1 Ų | 58.1 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -118.8 | 148.7 | -176 | -64.2 | -52.5 | 0 | 0 | 0 | 111.1 | K76 Y80 | K76-N78 VanDerWaalsContact CE-O 3.3Å; K76-N78 WeakPolarHBondContact CE-O 3.46Å; K76-N78 WeakPolarHBondContact CG-O 3.49Å; N78-Y80 PolarHBondContact O-N 3.39Å; N78-Y80 VanDerWaalsContact O-N 3.11Å |
| 79 | G | 95.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 54.5 | 31.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K76 K117 H118 | K76-G79 VanDerWaalsContact CE-O 3.24Å; K76-G79 WeakPolarHBondContact CE-O 3.47Å; K76-G79 PolarHBondContact NZ-O 3.44Å; G79-K117 PolarHBondContact N-O 3.17Å; G79-H118 CarbonylContact C-O 3.55Å; G79-H118 WeakPolarHBondContact CA-O 3.38Å |
| 80 | Y | 95.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 28% | 0.275 | 27% | 0.273 | S | S | . | . | trans | -83.8 | -19.6 | -179.1 | 62.9 | -99.2 | 0 | 0 | 0 | 112.7 | E77 N78 N82 H118 N246 | E77-Y80 WeakPolarHBondContact O-CD1 3.3Å; E77-Y80 VanDerWaalsContact O-CE1 3.32Å; E77-Y80 WeakPolarHBondContact O-CE1 3.45Å; N78-Y80 PolarHBondContact O-N 3.39Å; N78-Y80 VanDerWaalsContact O-N 3.11Å; Y80-N82 PolarHBondContact O-N 3.33Å; Y80-N82 VanDerWaalsContact O-N 3.17Å; Y80-H118 HydrophobicContact CD1-CB 4.48Å; Y80-H118 HydrophobicContact CE1-CB 3.76Å; Y80-H118 PolarHBondContact N-O 3.23Å; Y80-N246 HydrophobicContact CD2-CB 3.8Å | ||
| 81 | R | 96.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 50 Ų | 50 | 28% | 0.275 | 25% | 0.249 | S | C | . | . | trans | -81.1 | 99.9 | -170.9 | -167.1 | 170.7 | -176.9 | 102.3 | -0.4 | 111.2 | K83 C84 H118 P120 M123 V245 | R81-K83 WeakPolarHBondContact CG-O 3.28Å; R81-K83 PolarHBondContact NE-O 3.45Å; R81-K83 VanDerWaalsContact NE-O 3.09Å; R81-C84 WeakPolarHBondContact CD-SG 3.35Å; R81-H118 VanDerWaalsContact CB-O 3.24Å; R81-H118 WeakPolarHBondContact CB-O 3.5Å; R81-H118 VanDerWaalsContact CD-CD2 3.43Å; R81-H118 WeakPolarHBondContact CD-CD2 3.48Å; R81-H118 PolarHBondContact N-O 3.28Å; R81-H118 VanDerWaalsContact N-O 3.08Å; R81-P120 WeakPolarHBondContact O-CD 3.48Å; R81-M123 WeakPolarHBondContact O-CE 3.15Å; R81-V245 CarbonylContact C-O 3.5Å; R81-V245 VanDerWaalsContact CA-O 3.28Å; R81-V245 WeakPolarHBondContact CA-O 3.15Å; R81-V245 HydrophobicContact CG-CB 4.44Å | ||
| 82 | N | 95 | Very high | 94.3 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | trans | -79.9 | -13.8 | -177.3 | 67.6 | 26.8 | 0 | 0 | 0 | 113.8 | Y80 M123 R157 C158 Y159 Q244 V245 T247 | Y80-N82 PolarHBondContact O-N 3.33Å; Y80-N82 VanDerWaalsContact O-N 3.17Å; N82-M123 WeakPolarHBondContact O-CE 3.48Å; N82-R157 CarbonylContact O-C 3.58Å; N82-R157 WeakPolarHBondContact O-CA 3.3Å; N82-C158 WeakPolarHBondContact CB-O 3.46Å; N82-C158 PolarHBondContact O-N 3.39Å; N82-Y159 HydrophobicContact CB-CD1 4.11Å; N82-Y159 HydrophobicContact CB-CE1 4.09Å; N82-Q244 PolarHBondContact ND2-O 2.87Å; N82-Q244 PolarHBondContact OD1-O 3.41Å; N82-V245 PolarHBondContact N-O 3.25Å; N82-V245 WeakPolarHBondContact OD1-CA 3.4Å; N82-V245 PolarHBondContact OD1-O 3.11Å; N82-T247 PolarHBondContact ND2-OG1 3.21Å; N82-T247 VanDerWaalsContact ND2-OG1 3.12Å | ||
| 83 | K | 96.4 | Very high | 93.8 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 17% | 0.17 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 127.5 | 173.7 | 177.3 | -172.6 | 171.9 | -166.7 | 0 | 112 | R81 E85 T155 V156 R157 V245 | R81-K83 WeakPolarHBondContact CG-O 3.28Å; R81-K83 PolarHBondContact NE-O 3.45Å; R81-K83 VanDerWaalsContact NE-O 3.09Å; K83-E85 WeakPolarHBondContact CE-OE1 3.19Å; K83-E85 IonicContact NZ-OE1 3.63Å; K83-E85 PolarHBondContact NZ-OE1 2.88Å; K83-T155 HydrophobicContact CG-CG2 4.5Å; K83-V156 WeakPolarHBondContact CA-O 3.33Å; K83-R157 HydrophobicContact CB-CG 4.27Å; K83-R157 HydrophobicContact CD-CG 4.47Å; K83-R157 HydrophobicContact CG-CG 4.02Å; K83-V245 HydrophobicContact CB-CG1 4.04Å |
| 84 | C | 97.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153.6 | 169.5 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | R81 F86 F99 I119 M123 T155 V156 | R81-C84 WeakPolarHBondContact CD-SG 3.35Å; C84-F86 HydrophobicContact CB-CD2 4.28Å; C84-F86 HydrophobicContact CB-CE1 4.04Å; C84-F86 HydrophobicContact CB-CE2 3.52Å; C84-F86 HydrophobicContact CB-CZ 3.39Å; C84-F99 HydrophobicContact CB-CZ 4.43Å; C84-I119 HydrophobicContact CB-CD1 4.31Å; C84-I119 WeakPolarHBondContact SG-CD1 3.36Å; C84-M123 HydrophobicContact CB-SD 3.61Å; C84-M123 VanDerWaalsContact SG-SD 3.62Å; C84-T155 CarbonylContact O-C 3.59Å; C84-T155 WeakPolarHBondContact O-CA 3.37Å; C84-V156 PolarHBondContact N-O 3.47Å; C84-V156 PolarHBondContact O-N 3.36Å |
| 85 | E | 96.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.8 | 174.6 | -75.2 | 165.6 | -161 | 0 | 0 | 107.1 | K83 M153 T155 | K83-E85 WeakPolarHBondContact CE-OE1 3.19Å; K83-E85 IonicContact NZ-OE1 3.63Å; K83-E85 PolarHBondContact NZ-OE1 2.88Å; E85-M153 HydrophobicContact CB-CG 4.5Å; E85-M153 HydrophobicContact CB-SD 3.84Å; E85-M153 HydrophobicContact CG-CE 4.34Å; E85-M153 HydrophobicContact CG-SD 4.2Å; E85-T155 HydrophobicContact CG-CG2 3.85Å |
| 86 | F | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.2 | -176.7 | -56.8 | -79.3 | 0 | 0 | 0 | 109.2 | C84 I97 G98 F99 A113 I119 M123 V127 M153 L154 V156 | C84-F86 HydrophobicContact CB-CD2 4.28Å; C84-F86 HydrophobicContact CB-CE1 4.04Å; C84-F86 HydrophobicContact CB-CE2 3.52Å; C84-F86 HydrophobicContact CB-CZ 3.39Å; F86-I97 HydrophobicContact CB-CD1 3.99Å; F86-I97 HydrophobicContact CB-CG1 3.8Å; F86-G98 CarbonylContact C-O 3.53Å; F86-G98 VanDerWaalsContact CA-O 3.23Å; F86-G98 WeakPolarHBondContact CA-O 3.23Å; F86-F99 HydrophobicContact CD1-CE1 4.11Å; F86-F99 HydrophobicContact CD1-CE2 4.39Å; F86-F99 HydrophobicContact CD1-CZ 4.05Å; F86-F99 HydrophobicContact CE1-CE1 4.12Å; F86-F99 AromaticContact CE1-CE2 3.94Å; F86-F99 HydrophobicContact CE1-CE2 3.94Å; F86-F99 AromaticContact CE1-CZ 3.62Å; F86-F99 HydrophobicContact CE1-CZ 3.62Å; F86-F99 HydrophobicContact CZ-CZ 4.47Å; F86-A113 HydrophobicContact CD1-CB 4.14Å; F86-A113 HydrophobicContact CE1-CB 3.7Å; F86-I119 HydrophobicContact CZ-CD1 4.37Å; F86-I119 HydrophobicContact CZ-CG2 4.45Å; F86-M123 HydrophobicContact CE2-CG 3.89Å; F86-M123 HydrophobicContact CE2-SD 3.95Å; F86-M123 HydrophobicContact CZ-CG 3.89Å; F86-M123 HydrophobicContact CZ-SD 3.77Å; F86-V127 HydrophobicContact CD1-CG2 4.2Å; F86-V127 HydrophobicContact CD2-CG2 3.52Å; F86-V127 HydrophobicContact CE1-CG2 4.1Å; F86-V127 HydrophobicContact CE2-CG2 3.4Å; F86-V127 VanDerWaalsContact CE2-CG2 3.4Å; F86-V127 HydrophobicContact CG-CG2 3.91Å; F86-V127 HydrophobicContact CZ-CG2 3.7Å; F86-M153 CarbonylContact O-C 3.55Å; F86-M153 VanDerWaalsContact O-CA 3.25Å; F86-M153 WeakPolarHBondContact O-CA 3.3Å; F86-M153 VanDerWaalsContact O-CG 3.23Å; F86-M153 WeakPolarHBondContact O-CG 3.42Å; F86-L154 PolarHBondContact N-O 3.28Å; F86-L154 PolarHBondContact O-N 2.92Å; F86-V156 HydrophobicContact CD2-CG2 4.13Å; F86-V156 HydrophobicContact CE2-CB 4.23Å; F86-V156 HydrophobicContact CE2-CG2 3.93Å |
| 87 | S | 95.3 | Very high | 93.3 | Very high | 16 Ų | 16 | 51 Ų | 51 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 144.3 | 174.7 | -66.1 | 0 | 0 | 0 | 0 | 110.3 | I97 G98 R100 V110 | S87-I97 WeakPolarHBondContact O-CA 3.39Å; S87-G98 PolarHBondContact N-O 3.4Å; S87-G98 PolarHBondContact O-N 3.35Å; S87-R100 PolarHBondContact OG-NE 2.92Å; S87-R100 VanDerWaalsContact OG-NE 3.1Å; S87-V110 WeakPolarHBondContact O-CG1 3.36Å |
| 88 | V | 95.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.6 | 166.2 | -174 | 0 | 0 | 0 | 0 | 107.1 | E96 I97 F130 I134 P141 W151 R152 | V88-E96 WeakPolarHBondContact CA-O 3.49Å; V88-I97 HydrophobicContact CG2-CB 4.33Å; V88-I97 HydrophobicContact CG2-CD1 4.04Å; V88-I97 HydrophobicContact CG2-CG1 4.18Å; V88-F130 HydrophobicContact CG2-CE1 4.08Å; V88-I134 HydrophobicContact CG1-CD1 3.66Å; V88-P141 HydrophobicContact CG1-CB 3.95Å; V88-P141 HydrophobicContact CG1-CG 4.24Å; V88-W151 HydrophobicContact CB-CB 4.11Å; V88-W151 WeakPolarHBondContact CB-O 3.45Å; V88-W151 HydrophobicContact CG1-CB 3.71Å; V88-W151 HydrophobicContact CG2-CB 4.35Å; V88-R152 PolarHBondContact N-O 2.83Å |
| 89 | G | 93.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -149.2 | -175 | 0 | 0 | 0 | 0 | 0 | 111.2 | E96 | G89-E96 PolarHBondContact N-O 3.03Å; G89-E96 PolarHBondContact O-N 2.83Å |
| 90 | Y | 90.9 | Very high | 93.2 | Very high | 75 Ų | 75 | 47 Ų | 47 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 145.3 | -178.4 | -61 | -82.7 | 0 | 0 | 0 | 112.2 | Y94 T109 V110 P141 D143 | Y90-Y94 CarbonylContact C-O 3.51Å; Y90-Y94 VanDerWaalsContact CA-O 3.28Å; Y90-Y94 WeakPolarHBondContact CA-O 3.41Å; Y90-T109 WeakPolarHBondContact O-CA 3.28Å; Y90-V110 PolarHBondContact O-N 2.98Å; Y90-P141 HydrophobicContact CD1-CG 4.47Å; Y90-P141 HydrophobicContact CD2-CB 4.45Å; Y90-P141 HydrophobicContact CE1-CB 4.3Å; Y90-P141 HydrophobicContact CE1-CG 3.94Å; Y90-P141 HydrophobicContact CE2-CB 3.95Å; Y90-P141 HydrophobicContact CE2-CG 4.48Å; Y90-P141 PolarHBondContact OH-O 2.62Å; Y90-D143 HydrophobicContact CE2-CB 4.3Å |
| 91 | N | 88.4 | Confident | 92.7 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 114.3 | 168.1 | -163.1 | -9.5 | 0 | 0 | 0 | 109 | G93 Y94 E96 V110 | N91-G93 PolarHBondContact O-N 3.24Å; N91-G93 VanDerWaalsContact O-N 3.11Å; N91-Y94 PolarHBondContact N-O 3.48Å; N91-Y94 PolarHBondContact O-N 3.23Å; N91-E96 HydrophobicContact CB-CB 3.99Å; N91-E96 HydrophobicContact CB-CG 4.3Å; N91-V110 WeakPolarHBondContact CB-O 3.29Å; N91-V110 PolarHBondContact ND2-O 3.48Å |
| 92 | N | 85.4 | Confident | 91.6 | Very high | 142 Ų | 142 | 44 Ų | 44 | 76% | 0.759 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.6 | -176.4 | -61.2 | -28.7 | 0 | 0 | 0 | 113.1 | Y94 | N92-Y94 VanDerWaalsContact C-N 3.34Å; N92-Y94 VanDerWaalsContact O-CD2 3.31Å; N92-Y94 WeakPolarHBondContact O-CD2 3.33Å; N92-Y94 PolarHBondContact O-N 3.01Å |
| 93 | G | 84.7 | Confident | 90.2 | Very high | 65 Ų | 65 | 54 Ų | 54 | 67% | 0.67 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -8.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.9 | N91 | N91-G93 PolarHBondContact O-N 3.24Å; N91-G93 VanDerWaalsContact O-N 3.11Å |
| 94 | Y | 89.3 | Confident | 88.3 | Confident | 183 Ų | 183 | 57.4 Ų | 57.4 | 72% | 0.718 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 141.7 | 178.6 | -60.5 | -82 | 0 | 0 | 0 | 111.7 | Y90 N91 N92 E96 | Y90-Y94 CarbonylContact C-O 3.51Å; Y90-Y94 VanDerWaalsContact CA-O 3.28Å; Y90-Y94 WeakPolarHBondContact CA-O 3.41Å; N91-Y94 PolarHBondContact N-O 3.48Å; N91-Y94 PolarHBondContact O-N 3.23Å; N92-Y94 VanDerWaalsContact C-N 3.34Å; N92-Y94 VanDerWaalsContact O-CD2 3.31Å; N92-Y94 WeakPolarHBondContact O-CD2 3.33Å; N92-Y94 PolarHBondContact O-N 3.01Å; Y94-E96 PolarHBondContact O-N 2.91Å |
| 95 | A | 91.9 | Very high | 86.1 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 130.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | L135 P141 | A95-L135 HydrophobicContact CB-CD2 3.9Å; A95-P141 HydrophobicContact CB-CG 3.44Å; A95-P141 VanDerWaalsContact CB-CG 3.44Å |
| 96 | E | 93.6 | Very high | 84.2 | Confident | 16 Ų | 16 | 72 Ų | 72 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 156.7 | -177.3 | -169.4 | 53.4 | -81.2 | 0 | 0 | 111.8 | V88 G89 N91 Y94 V110 R131 | V88-E96 WeakPolarHBondContact CA-O 3.49Å; G89-E96 PolarHBondContact N-O 3.03Å; G89-E96 PolarHBondContact O-N 2.83Å; N91-E96 HydrophobicContact CB-CB 3.99Å; N91-E96 HydrophobicContact CB-CG 4.3Å; Y94-E96 PolarHBondContact O-N 2.91Å; E96-V110 HydrophobicContact CG-CG1 4.43Å; E96-R131 VanDerWaalsContact OE1-CD 3.31Å; E96-R131 WeakPolarHBondContact OE1-CD 3.06Å; E96-R131 IonicContact OE1-CZ 3.96Å; E96-R131 IonicContact OE1-NE 2.89Å; E96-R131 PolarHBondContact OE1-NE 2.91Å; E96-R131 IonicContact OE1-NH2 3.8Å; E96-R131 IonicContact OE2-CZ 3.12Å; E96-R131 IonicContact OE2-NE 3.11Å; E96-R131 PolarHBondContact OE2-NE 3.19Å; E96-R131 IonicContact OE2-NH2 3.04Å; E96-R131 PolarHBondContact OE2-NH2 3.18Å |
| 97 | I | 95.6 | Very high | 82.7 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.5 | 170.8 | 179 | 169.5 | 0 | 0 | 0 | 111.1 | F86 S87 V88 V127 F130 R131 I134 L154 | F86-I97 HydrophobicContact CB-CD1 3.99Å; F86-I97 HydrophobicContact CB-CG1 3.8Å; S87-I97 WeakPolarHBondContact O-CA 3.39Å; V88-I97 HydrophobicContact CG2-CB 4.33Å; V88-I97 HydrophobicContact CG2-CD1 4.04Å; V88-I97 HydrophobicContact CG2-CG1 4.18Å; I97-V127 HydrophobicContact CD1-CG1 4.23Å; I97-V127 HydrophobicContact CG1-CG1 4.14Å; I97-V127 HydrophobicContact CG2-CG1 3.86Å; I97-F130 HydrophobicContact CD1-CD1 3.54Å; I97-F130 HydrophobicContact CD1-CE1 4.2Å; I97-R131 HydrophobicContact CG2-CB 3.54Å; I97-R131 HydrophobicContact CG2-CG 3.88Å; I97-I134 HydrophobicContact CB-CD1 4.35Å; I97-I134 HydrophobicContact CG2-CD1 4.48Å; I97-L154 HydrophobicContact CD1-CB 3.73Å; I97-L154 HydrophobicContact CD1-CD2 3.91Å; I97-L154 HydrophobicContact CD1-CG 4.5Å |
| 98 | G | 95.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.2 | -133.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F86 S87 V110 A111 | F86-G98 CarbonylContact C-O 3.53Å; F86-G98 VanDerWaalsContact CA-O 3.23Å; F86-G98 WeakPolarHBondContact CA-O 3.23Å; S87-G98 PolarHBondContact N-O 3.4Å; S87-G98 PolarHBondContact O-N 3.35Å; G98-V110 VanDerWaalsContact N-CG1 3.29Å; G98-A111 CarbonylContact C-O 3.57Å; G98-A111 VanDerWaalsContact CA-O 3.26Å; G98-A111 WeakPolarHBondContact CA-O 3.46Å |
| 99 | F | 94.7 | Very high | 81.3 | Confident | 30 Ų | 30 | 75 Ų | 75 | 13% | 0.132 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 150.4 | 179.1 | -66.5 | -60.8 | 0 | 0 | 0 | 111 | I17 V21 C84 F86 V110 A111 A113 I119 | I17-F99 HydrophobicContact CD1-CB 3.61Å; I17-F99 HydrophobicContact CG1-CB 3.8Å; V21-F99 HydrophobicContact CB-CD2 4.43Å; V21-F99 HydrophobicContact CG1-CB 3.81Å; V21-F99 HydrophobicContact CG1-CD1 4.34Å; V21-F99 HydrophobicContact CG1-CD2 3.75Å; V21-F99 HydrophobicContact CG1-CE2 4.39Å; V21-F99 HydrophobicContact CG1-CG 3.72Å; V21-F99 HydrophobicContact CG2-CD2 4.28Å; V21-F99 HydrophobicContact CG2-CE2 4.47Å; C84-F99 HydrophobicContact CB-CZ 4.43Å; F86-F99 HydrophobicContact CD1-CE1 4.11Å; F86-F99 HydrophobicContact CD1-CE2 4.39Å; F86-F99 HydrophobicContact CD1-CZ 4.05Å; F86-F99 HydrophobicContact CE1-CE1 4.12Å; F86-F99 AromaticContact CE1-CE2 3.94Å; F86-F99 HydrophobicContact CE1-CE2 3.94Å; F86-F99 AromaticContact CE1-CZ 3.62Å; F86-F99 HydrophobicContact CE1-CZ 3.62Å; F86-F99 HydrophobicContact CZ-CZ 4.47Å; F99-V110 WeakPolarHBondContact O-CA 3.36Å; F99-A111 PolarHBondContact N-O 3.42Å; F99-A111 PolarHBondContact O-N 2.85Å; F99-A113 HydrophobicContact CD2-CB 3.87Å; F99-A113 HydrophobicContact CE2-CB 3.75Å; F99-I119 HydrophobicContact CE2-CD1 4.18Å; F99-I119 HydrophobicContact CE2-CG1 4.4Å; F99-I119 HydrophobicContact CZ-CD1 3.96Å |
| 100 | R | 89.5 | Confident | 81.2 | Confident | 99 Ų | 99 | 75 Ų | 75 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.2 | 175.1 | -64.7 | -175.9 | -175 | -171.2 | -4.2 | 109.8 | S87 T109 V110 | S87-R100 PolarHBondContact OG-NE 2.92Å; S87-R100 VanDerWaalsContact OG-NE 3.1Å; R100-T109 WeakPolarHBondContact CA-O 3.32Å; R100-V110 HydrophobicContact CG-CG2 4.49Å |
| 101 | L | 84.5 | Confident | 81.3 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | trans | -90.4 | -41.7 | -179.2 | -170.3 | 69.6 | 0 | 0 | 0 | 112.2 | V15 I17 V20 T109 | V15-L101 HydrophobicContact CB-CD1 4.27Å; V15-L101 HydrophobicContact CB-CG 4.48Å; V15-L101 HydrophobicContact CG1-CD1 4.04Å; V15-L101 VanDerWaalsContact O-CD1 3.24Å; V15-L101 WeakPolarHBondContact O-CD1 3.41Å; V15-L101 WeakPolarHBondContact O-CD2 3.39Å; I17-L101 HydrophobicContact CB-CD1 4.14Å; I17-L101 HydrophobicContact CD1-CB 4.35Å; I17-L101 HydrophobicContact CD1-CD1 3.84Å; V20-L101 HydrophobicContact CG2-CD1 4.04Å; L101-T109 HydrophobicContact CB-CG2 4.48Å; L101-T109 HydrophobicContact CD2-CG2 4.4Å; L101-T109 PolarHBondContact N-O 3.13Å | ||
| 102 | T | 73.5 | Confident | 81.5 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 22% | 0.221 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -106.3 | 160.8 | -174.8 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | G107 T109 | T102-G107 WeakPolarHBondContact CB-O 3.19Å; T102-G107 PolarHBondContact OG1-O 2.85Å; T102-T109 PolarHBondContact OG1-N 3.41Å |
| 103 | R | 65.3 | Low | 81.9 | Confident | 217 Ų | 217 | 64.8 Ų | 64.8 | 82% | 0.819 | 32% | 0.316 | S | S | * | . | trans | -91.8 | 151.9 | 170.2 | -67 | -179 | 178.7 | 176.8 | 0.6 | 109.4 | R105 E106 | R103-R105 PolarHBondContact O-N 2.91Å; R103-E106 PolarHBondContact O-N 3.06Å | ||
| 104 | H | 56.2 | Low | 82.4 | Confident | 109 Ų | 109 | 64.1 Ų | 64.1 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -40.5 | -26.2 | -175.9 | -83.8 | -63.2 | 0 | 0 | 0 | 118.3 | E106 V144 D145 | H104-E106 VanDerWaalsContact C-N 3.29Å; H104-E106 PolarHBondContact O-N 2.77Å; H104-V144 WeakPolarHBondContact CE1-CG1 3.29Å; H104-D145 IonicContact ND1-OD1 3.04Å |
| 105 | R | 51.5 | Low | 82.5 | Confident | 249 Ų | 249 | 61.1 Ų | 61.1 | 94% | 0.94 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -77.7 | -12.5 | -177.7 | -68.3 | -175.4 | 179.4 | 178.9 | -1.1 | 114 | R103 | R103-R105 PolarHBondContact O-N 2.91Š|
| 106 | E | 57.1 | Low | 82.7 | Confident | 154 Ų | 154 | 60 Ų | 60 | 72% | 0.72 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -114.9 | 11.6 | -174.5 | -66.5 | 167.3 | -177.1 | 0 | 0 | 112.2 | R103 H104 | R103-E106 PolarHBondContact O-N 3.06Å; H104-E106 VanDerWaalsContact C-N 3.29Å; H104-E106 PolarHBondContact O-N 2.77Å |
| 107 | G | 65 | Low | 82.7 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | trans | 82.6 | 160.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T102 D145 | T102-G107 WeakPolarHBondContact CB-O 3.19Å; T102-G107 PolarHBondContact OG1-O 2.85Å; G107-D145 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 108 | C | 73.3 | Confident | 82.7 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | trans | -101.2 | 94 | -178 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | V144 | C108-V144 HydrophobicContact CB-CG2 4.38Š| ||
| 109 | T | 87.6 | Confident | 82.7 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.209 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -90.8 | 134.8 | 174.9 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | Y90 R100 L101 T102 | Y90-T109 WeakPolarHBondContact O-CA 3.28Å; R100-T109 WeakPolarHBondContact CA-O 3.32Å; L101-T109 HydrophobicContact CB-CG2 4.48Å; L101-T109 HydrophobicContact CD2-CG2 4.4Å; L101-T109 PolarHBondContact N-O 3.13Å; T102-T109 PolarHBondContact OG1-N 3.41Å |
| 110 | V | 91.1 | Very high | 82.7 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.1 | 175.6 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | S87 Y90 N91 E96 G98 F99 R100 | S87-V110 WeakPolarHBondContact O-CG1 3.36Å; Y90-V110 PolarHBondContact O-N 2.98Å; N91-V110 WeakPolarHBondContact CB-O 3.29Å; N91-V110 PolarHBondContact ND2-O 3.48Å; E96-V110 HydrophobicContact CG-CG1 4.43Å; G98-V110 VanDerWaalsContact N-CG1 3.29Å; F99-V110 WeakPolarHBondContact O-CA 3.36Å; R100-V110 HydrophobicContact CG-CG2 4.49Å |
| 111 | A | 92.8 | Very high | 82.8 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I17 G98 F99 | I17-A111 HydrophobicContact CB-CB 3.76Å; I17-A111 HydrophobicContact CD1-CB 4.19Å; I17-A111 HydrophobicContact CG1-CB 3.95Å; I17-A111 HydrophobicContact CG2-CB 4.24Å; G98-A111 CarbonylContact C-O 3.57Å; G98-A111 VanDerWaalsContact CA-O 3.26Å; G98-A111 WeakPolarHBondContact CA-O 3.46Å; F99-A111 PolarHBondContact N-O 3.42Å; F99-A111 PolarHBondContact O-N 2.85Å |
| 112 | A | 94 | Very high | 83.1 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 26% | 0.256 | 33% | 0.325 | S | S | . | . | trans | -61.5 | 147.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I17 | I17-A112 WeakPolarHBondContact CG2-O 3.26Š| ||
| 113 | A | 93.8 | Very high | 84.1 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | trans | -95.4 | 9.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | F86 F99 D115 C116 | F86-A113 HydrophobicContact CD1-CB 4.14Å; F86-A113 HydrophobicContact CE1-CB 3.7Å; F99-A113 HydrophobicContact CD2-CB 3.87Å; F99-A113 HydrophobicContact CE2-CB 3.75Å; A113-D115 VanDerWaalsContact C-N 3.33Å; A113-D115 PolarHBondContact O-N 3.27Å; A113-C116 VanDerWaalsContact O-CB 3.25Å; A113-C116 WeakPolarHBondContact O-CB 3.35Å; A113-C116 PolarHBondContact O-N 3.21Å; A113-C116 VanDerWaalsContact O-N 3.15Å | ||
| 114 | D | 93.8 | Very high | 85.5 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -38.8 | -171.9 | -73.8 | -91.3 | 0 | 0 | 0 | 113.8 | C116 K124 R128 | D114-C116 VanDerWaalsContact C-N 3.3Å; D114-C116 PolarHBondContact O-N 2.93Å; D114-K124 VanDerWaalsContact O-CE 3.25Å; D114-K124 WeakPolarHBondContact O-CE 3.46Å; D114-K124 PolarHBondContact O-NZ 3.41Å; D114-R128 IonicContact OD1-CZ 2.81Å; D114-R128 IonicContact OD1-NE 2.75Å; D114-R128 PolarHBondContact OD1-NE 3.24Å; D114-R128 IonicContact OD1-NH2 3.2Å; D114-R128 PolarHBondContact OD1-NH2 2.95Å |
| 115 | D | 92.8 | Very high | 87.2 | Confident | 120 Ų | 120 | 51.4 Ų | 51.4 | 64% | 0.642 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -3.4 | -177.7 | -60.1 | -42.6 | 0 | 0 | 0 | 113.2 | T18 A113 K117 | T18-D115 HydrophobicContact CG2-CB 3.81Å; A113-D115 VanDerWaalsContact C-N 3.33Å; A113-D115 PolarHBondContact O-N 3.27Å; D115-K117 PolarHBondContact O-N 3.43Å; D115-K117 VanDerWaalsContact O-N 3.13Å |
| 116 | C | 94.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -72.9 | 107.8 | -179.8 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | V21 A113 D114 H118 I119 K124 | V21-C116 VanDerWaalsContact CG2-SG 3.52Å; A113-C116 VanDerWaalsContact O-CB 3.25Å; A113-C116 WeakPolarHBondContact O-CB 3.35Å; A113-C116 PolarHBondContact O-N 3.21Å; A113-C116 VanDerWaalsContact O-N 3.15Å; D114-C116 VanDerWaalsContact C-N 3.3Å; D114-C116 PolarHBondContact O-N 2.93Å; C116-H118 VanDerWaalsContact C-N 3.26Å; C116-H118 PolarHBondContact O-N 2.93Å; C116-I119 HydrophobicContact CB-CB 4.47Å; C116-I119 HydrophobicContact CB-CG1 3.65Å; C116-I119 PolarHBondContact O-N 3.46Å; C116-K124 VanDerWaalsContact O-CE 3.25Å; C116-K124 WeakPolarHBondContact O-CE 3.31Å; C116-K124 PolarHBondContact O-NZ 3.32Å | ||
| 117 | K | 94.4 | Very high | 91 | Very high | 108 Ų | 108 | 32.6 Ų | 32.6 | 47% | 0.47 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.5 | -176.3 | -64.7 | -178.7 | -178.2 | 174 | 0 | 114.6 | H25 G79 D115 I119 | H25-K117 PolarHBondContact O-NZ 3.46Å; G79-K117 PolarHBondContact N-O 3.17Å; D115-K117 PolarHBondContact O-N 3.43Å; D115-K117 VanDerWaalsContact O-N 3.13Å; K117-I119 VanDerWaalsContact C-N 3.29Å; K117-I119 PolarHBondContact O-N 3.02Å |
| 118 | H | 95.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -14.2 | -177.3 | 67.1 | -77.1 | 0 | 0 | 0 | 113.7 | T22 G79 Y80 R81 C116 | T22-H118 HydrophobicContact CG2-CB 4.14Å; T22-H118 WeakPolarHBondContact CG2-ND1 3.23Å; G79-H118 CarbonylContact C-O 3.55Å; G79-H118 WeakPolarHBondContact CA-O 3.38Å; Y80-H118 HydrophobicContact CD1-CB 4.48Å; Y80-H118 HydrophobicContact CE1-CB 3.76Å; Y80-H118 PolarHBondContact N-O 3.23Å; R81-H118 VanDerWaalsContact CB-O 3.24Å; R81-H118 WeakPolarHBondContact CB-O 3.5Å; R81-H118 VanDerWaalsContact CD-CD2 3.43Å; R81-H118 WeakPolarHBondContact CD-CD2 3.48Å; R81-H118 PolarHBondContact N-O 3.28Å; R81-H118 VanDerWaalsContact N-O 3.08Å; C116-H118 VanDerWaalsContact C-N 3.26Å; C116-H118 PolarHBondContact O-N 2.93Å |
| 119 | I | 96.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -88.3 | 126.9 | -179 | -53.3 | -63.3 | 0 | 0 | 0 | 110.2 | C84 F86 F99 C116 K117 M123 K124 | C84-I119 HydrophobicContact CB-CD1 4.31Å; C84-I119 WeakPolarHBondContact SG-CD1 3.36Å; F86-I119 HydrophobicContact CZ-CD1 4.37Å; F86-I119 HydrophobicContact CZ-CG2 4.45Å; F99-I119 HydrophobicContact CE2-CD1 4.18Å; F99-I119 HydrophobicContact CE2-CG1 4.4Å; F99-I119 HydrophobicContact CZ-CD1 3.96Å; C116-I119 HydrophobicContact CB-CB 4.47Å; C116-I119 HydrophobicContact CB-CG1 3.65Å; C116-I119 PolarHBondContact O-N 3.46Å; K117-I119 VanDerWaalsContact C-N 3.29Å; K117-I119 PolarHBondContact O-N 3.02Å; I119-M123 HydrophobicContact CD1-SD 4.35Å; I119-M123 HydrophobicContact CG2-CB 3.85Å; I119-M123 HydrophobicContact CG2-CG 3.85Å; I119-M123 HydrophobicContact CG2-SD 3.83Å; I119-K124 HydrophobicContact CB-CG 4.27Å; I119-K124 HydrophobicContact CG2-CG 3.68Å; I119-K124 VanDerWaalsContact O-CE 3.31Å; I119-K124 WeakPolarHBondContact O-CE 3.35Å |
| 120 | P | 94.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | trans | -62.6 | 149.5 | 175.2 | -18 | 27.7 | 0 | 0 | 0 | 113.1 | R81 V122 M123 K124 | R81-P120 WeakPolarHBondContact O-CD 3.48Å; P120-V122 VanDerWaalsContact C-N 3.3Å; P120-V122 PolarHBondContact O-N 3.03Å; P120-M123 HydrophobicContact CB-CB 4.41Å; P120-M123 HydrophobicContact CG-CB 4.48Å; P120-M123 WeakPolarHBondContact O-CB 3.34Å; P120-M123 PolarHBondContact O-N 3.23Å; P120-K124 PolarHBondContact O-N 3.35Å | ||
| 121 | T | 92.3 | Very high | 93.7 | Very high | 108 Ų | 108 | 40.5 Ų | 40.5 | 66% | 0.663 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -55.8 | -42 | 178.7 | -51.2 | 0 | 0 | 0 | 0 | 112.9 | M123 K124 S125 | T121-M123 VanDerWaalsContact C-N 3.32Å; T121-M123 PolarHBondContact O-N 3.16Å; T121-K124 WeakPolarHBondContact O-CB 3.41Å; T121-K124 PolarHBondContact O-N 3.4Å; T121-S125 PolarHBondContact O-N 3.19Å; T121-S125 PolarHBondContact O-OG 3.11Å |
| 122 | V | 90.5 | Very high | 93.7 | Very high | 51 Ų | 51 | 44 Ų | 44 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.7 | -45 | 176.9 | 177.2 | 0 | 0 | 0 | 0 | 111 | P120 K124 S125 V126 P199 | P120-V122 VanDerWaalsContact C-N 3.3Å; P120-V122 PolarHBondContact O-N 3.03Å; V122-K124 VanDerWaalsContact C-N 3.34Å; V122-K124 PolarHBondContact O-N 2.95Å; V122-S125 WeakPolarHBondContact O-CB 3.39Å; V122-S125 PolarHBondContact O-N 2.93Å; V122-V126 WeakPolarHBondContact O-CG2 3.37Å; V122-V126 PolarHBondContact O-N 3.35Å; V122-P199 HydrophobicContact CG1-CG 4.32Å |
| 123 | M | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 178 | -173.5 | 176.2 | -67.1 | 0 | 0 | 111.5 | R81 N82 C84 F86 I119 P120 T121 S125 V126 V127 V156 C158 | R81-M123 WeakPolarHBondContact O-CE 3.15Å; N82-M123 WeakPolarHBondContact O-CE 3.48Å; C84-M123 HydrophobicContact CB-SD 3.61Å; C84-M123 VanDerWaalsContact SG-SD 3.62Å; F86-M123 HydrophobicContact CE2-CG 3.89Å; F86-M123 HydrophobicContact CE2-SD 3.95Å; F86-M123 HydrophobicContact CZ-CG 3.89Å; F86-M123 HydrophobicContact CZ-SD 3.77Å; I119-M123 HydrophobicContact CD1-SD 4.35Å; I119-M123 HydrophobicContact CG2-CB 3.85Å; I119-M123 HydrophobicContact CG2-CG 3.85Å; I119-M123 HydrophobicContact CG2-SD 3.83Å; P120-M123 HydrophobicContact CB-CB 4.41Å; P120-M123 HydrophobicContact CG-CB 4.48Å; P120-M123 WeakPolarHBondContact O-CB 3.34Å; P120-M123 PolarHBondContact O-N 3.23Å; T121-M123 VanDerWaalsContact C-N 3.32Å; T121-M123 PolarHBondContact O-N 3.16Å; M123-S125 PolarHBondContact O-N 2.95Å; M123-V126 PolarHBondContact O-N 2.89Å; M123-V127 WeakPolarHBondContact O-CG2 3.45Å; M123-V127 PolarHBondContact O-N 3.46Å; M123-V156 HydrophobicContact CB-CG1 4.47Å; M123-V156 HydrophobicContact CE-CB 4.23Å; M123-V156 HydrophobicContact CE-CG1 4.14Å; M123-V156 WeakPolarHBondContact CE-O 3.27Å; M123-V156 HydrophobicContact CG-CB 3.95Å; M123-V156 HydrophobicContact CG-CG1 3.85Å; M123-V156 HydrophobicContact CG-CG2 4.49Å; M123-V156 HydrophobicContact SD-CB 4.39Å; M123-C158 HydrophobicContact CE-CB 4.11Å |
| 124 | K | 94.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 173.4 | -62.4 | -179.6 | -179.4 | -177.9 | 0 | 111.6 | D114 C116 I119 P120 T121 V122 V126 V127 R128 | D114-K124 VanDerWaalsContact O-CE 3.25Å; D114-K124 WeakPolarHBondContact O-CE 3.46Å; D114-K124 PolarHBondContact O-NZ 3.41Å; C116-K124 VanDerWaalsContact O-CE 3.25Å; C116-K124 WeakPolarHBondContact O-CE 3.31Å; C116-K124 PolarHBondContact O-NZ 3.32Å; I119-K124 HydrophobicContact CB-CG 4.27Å; I119-K124 HydrophobicContact CG2-CG 3.68Å; I119-K124 VanDerWaalsContact O-CE 3.31Å; I119-K124 WeakPolarHBondContact O-CE 3.35Å; P120-K124 PolarHBondContact O-N 3.35Å; T121-K124 WeakPolarHBondContact O-CB 3.41Å; T121-K124 PolarHBondContact O-N 3.4Å; V122-K124 VanDerWaalsContact C-N 3.34Å; V122-K124 PolarHBondContact O-N 2.95Å; K124-V126 PolarHBondContact O-N 3.15Å; K124-V127 PolarHBondContact O-N 2.9Å; K124-R128 WeakPolarHBondContact O-CG 3.06Å; K124-R128 PolarHBondContact O-N 2.84Å |
| 125 | S | 92.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 45.1 Ų | 45.1 | 20% | 0.203 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.7 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | T121 V122 M123 V127 R128 Q129 | T121-S125 PolarHBondContact O-N 3.19Å; T121-S125 PolarHBondContact O-OG 3.11Å; V122-S125 WeakPolarHBondContact O-CB 3.39Å; V122-S125 PolarHBondContact O-N 2.93Å; M123-S125 PolarHBondContact O-N 2.95Å; S125-V127 VanDerWaalsContact C-N 3.35Å; S125-V127 PolarHBondContact O-N 3.42Å; S125-R128 PolarHBondContact O-N 2.88Å; S125-Q129 WeakPolarHBondContact O-CG 3.47Å; S125-Q129 PolarHBondContact O-N 2.74Å |
| 126 | V | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | V122 M123 K124 R128 Q129 F130 L154 V156 T163 I165 L198 I200 | V122-V126 WeakPolarHBondContact O-CG2 3.37Å; V122-V126 PolarHBondContact O-N 3.35Å; M123-V126 PolarHBondContact O-N 2.89Å; K124-V126 PolarHBondContact O-N 3.15Å; V126-R128 PolarHBondContact O-N 3.18Å; V126-Q129 PolarHBondContact O-N 2.92Å; V126-F130 PolarHBondContact O-N 2.77Å; V126-L154 HydrophobicContact CG1-CD2 4.32Å; V126-V156 HydrophobicContact CG1-CG1 4.24Å; V126-V156 HydrophobicContact CG1-CG2 3.84Å; V126-T163 HydrophobicContact CG2-CG2 4.5Å; V126-I165 HydrophobicContact CG1-CG2 3.75Å; V126-L198 HydrophobicContact CB-CD2 4.38Å; V126-L198 HydrophobicContact CG2-CD2 3.74Å; V126-L198 HydrophobicContact CG2-CG 4.46Å; V126-I200 HydrophobicContact CG2-CD1 4.44Å; V126-I200 HydrophobicContact CG2-CG1 4.44Å |
| 127 | V | 95.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 178.8 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | F86 I97 M123 K124 S125 F130 R131 L154 | F86-V127 HydrophobicContact CD1-CG2 4.2Å; F86-V127 HydrophobicContact CD2-CG2 3.52Å; F86-V127 HydrophobicContact CE1-CG2 4.1Å; F86-V127 HydrophobicContact CE2-CG2 3.4Å; F86-V127 VanDerWaalsContact CE2-CG2 3.4Å; F86-V127 HydrophobicContact CG-CG2 3.91Å; F86-V127 HydrophobicContact CZ-CG2 3.7Å; I97-V127 HydrophobicContact CD1-CG1 4.23Å; I97-V127 HydrophobicContact CG1-CG1 4.14Å; I97-V127 HydrophobicContact CG2-CG1 3.86Å; M123-V127 WeakPolarHBondContact O-CG2 3.45Å; M123-V127 PolarHBondContact O-N 3.46Å; K124-V127 PolarHBondContact O-N 2.9Å; S125-V127 VanDerWaalsContact C-N 3.35Å; S125-V127 PolarHBondContact O-N 3.42Å; V127-F130 PolarHBondContact O-N 2.86Å; V127-R131 WeakPolarHBondContact O-CB 3.42Å; V127-R131 PolarHBondContact O-N 3.18Å; V127-L154 HydrophobicContact CG2-CD2 4.28Å |
| 128 | R | 93.3 | Very high | 92.8 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 39% | 0.389 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.8 | -68.3 | 177.8 | -158.5 | 133.6 | 0 | 112.7 | D114 K124 S125 V126 F130 R131 N132 | D114-R128 IonicContact OD1-CZ 2.81Å; D114-R128 IonicContact OD1-NE 2.75Å; D114-R128 PolarHBondContact OD1-NE 3.24Å; D114-R128 IonicContact OD1-NH2 3.2Å; D114-R128 PolarHBondContact OD1-NH2 2.95Å; K124-R128 WeakPolarHBondContact O-CG 3.06Å; K124-R128 PolarHBondContact O-N 2.84Å; S125-R128 PolarHBondContact O-N 2.88Å; V126-R128 PolarHBondContact O-N 3.18Å; R128-F130 VanDerWaalsContact C-N 3.31Å; R128-F130 PolarHBondContact O-N 3.3Å; R128-R131 WeakPolarHBondContact O-CB 3.18Å; R128-R131 PolarHBondContact O-N 2.85Å; R128-N132 PolarHBondContact O-N 3.42Å |
| 129 | Q | 91.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 45.9 Ų | 45.9 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.7 | -74 | -63.9 | -23.2 | 0 | 0 | 111.2 | S125 V126 N132 F133 H189 F190 L198 | S125-Q129 WeakPolarHBondContact O-CG 3.47Å; S125-Q129 PolarHBondContact O-N 2.74Å; V126-Q129 PolarHBondContact O-N 2.92Å; Q129-N132 PolarHBondContact O-N 3.35Å; Q129-F133 PolarHBondContact O-N 2.95Å; Q129-F133 VanDerWaalsContact O-N 3.11Å; Q129-H189 PolarHBondContact O-NE2 3.47Å; Q129-F190 HydrophobicContact CB-CE1 4Å; Q129-L198 HydrophobicContact CB-CD2 4.41Å; Q129-L198 HydrophobicContact CG-CD1 4.19Å; Q129-L198 HydrophobicContact CG-CD2 3.96Å |
| 130 | F | 94.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 175.5 | -165 | -116.7 | 0 | 0 | 0 | 112.4 | V88 I97 V126 V127 R128 N132 F133 I134 W151 L154 I167 F190 | V88-F130 HydrophobicContact CG2-CE1 4.08Å; I97-F130 HydrophobicContact CD1-CD1 3.54Å; I97-F130 HydrophobicContact CD1-CE1 4.2Å; V126-F130 PolarHBondContact O-N 2.77Å; V127-F130 PolarHBondContact O-N 2.86Å; R128-F130 VanDerWaalsContact C-N 3.31Å; R128-F130 PolarHBondContact O-N 3.3Å; F130-N132 VanDerWaalsContact C-N 3.33Å; F130-N132 PolarHBondContact O-N 3.48Å; F130-F133 HydrophobicContact CD2-CD1 4.23Å; F130-F133 HydrophobicContact CE2-CD1 4.04Å; F130-F133 WeakPolarHBondContact O-CB 3.42Å; F130-F133 PolarHBondContact O-N 3.31Å; F130-F133 VanDerWaalsContact O-N 3.16Å; F130-I134 HydrophobicContact CD1-CG2 4.05Å; F130-I134 HydrophobicContact CE1-CG2 3.71Å; F130-I134 HydrophobicContact CE2-CG2 4.24Å; F130-I134 HydrophobicContact CG-CG2 4.49Å; F130-I134 HydrophobicContact CZ-CG2 3.81Å; F130-I134 WeakPolarHBondContact O-CG2 3.22Å; F130-I134 PolarHBondContact O-N 3.11Å; F130-W151 HydrophobicContact CE2-CZ3 4.33Å; F130-W151 HydrophobicContact CZ-CD2 4.45Å; F130-W151 AromaticContact CZ-CE3 3.81Å; F130-W151 HydrophobicContact CZ-CE3 3.81Å; F130-W151 AromaticContact CZ-CZ3 3.99Å; F130-W151 HydrophobicContact CZ-CZ3 3.99Å; F130-L154 HydrophobicContact CB-CD2 3.81Å; F130-L154 HydrophobicContact CD1-CB 3.98Å; F130-L154 HydrophobicContact CD1-CD1 4.28Å; F130-L154 HydrophobicContact CD1-CD2 3.88Å; F130-L154 HydrophobicContact CD1-CG 4.27Å; F130-L154 HydrophobicContact CE1-CB 4.07Å; F130-L154 HydrophobicContact CE1-CD1 4.49Å; F130-L154 HydrophobicContact CG-CD1 4.29Å; F130-L154 HydrophobicContact CG-CD2 3.98Å; F130-I167 HydrophobicContact CD2-CD1 4.46Å; F130-I167 HydrophobicContact CE2-CD1 3.88Å; F130-I167 HydrophobicContact CE2-CG1 3.88Å; F130-I167 HydrophobicContact CE2-CG2 4.09Å; F130-I167 HydrophobicContact CZ-CG1 4.13Å; F130-I167 HydrophobicContact CZ-CG2 3.8Å; F130-F190 HydrophobicContact CB-CZ 3.94Å; F130-F190 AromaticContact CD2-CE2 3.86Å; F130-F190 HydrophobicContact CD2-CE2 3.86Å; F130-F190 AromaticContact CD2-CZ 3.75Å; F130-F190 HydrophobicContact CD2-CZ 3.75Å; F130-F190 HydrophobicContact CG-CZ 4.28Å |
| 131 | R | 94.6 | Very high | 92.4 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.7 | -48.6 | 172.2 | -171.7 | -178.5 | -174.1 | -125.7 | 6.9 | 111.5 | E96 I97 V127 R128 F133 I134 L135 | E96-R131 VanDerWaalsContact OE1-CD 3.31Å; E96-R131 WeakPolarHBondContact OE1-CD 3.06Å; E96-R131 IonicContact OE1-CZ 3.96Å; E96-R131 IonicContact OE1-NE 2.89Å; E96-R131 PolarHBondContact OE1-NE 2.91Å; E96-R131 IonicContact OE1-NH2 3.8Å; E96-R131 IonicContact OE2-CZ 3.12Å; E96-R131 IonicContact OE2-NE 3.11Å; E96-R131 PolarHBondContact OE2-NE 3.19Å; E96-R131 IonicContact OE2-NH2 3.04Å; E96-R131 PolarHBondContact OE2-NH2 3.18Å; I97-R131 HydrophobicContact CG2-CB 3.54Å; I97-R131 HydrophobicContact CG2-CG 3.88Å; V127-R131 WeakPolarHBondContact O-CB 3.42Å; V127-R131 PolarHBondContact O-N 3.18Å; R128-R131 WeakPolarHBondContact O-CB 3.18Å; R128-R131 PolarHBondContact O-N 2.85Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 3.15Å; R131-I134 WeakPolarHBondContact O-CG1 3.4Å; R131-I134 PolarHBondContact O-N 3.24Å; R131-L135 HydrophobicContact CG-CD1 4.15Å; R131-L135 VanDerWaalsContact O-CG 3.24Å; R131-L135 WeakPolarHBondContact O-CG 3.25Å; R131-L135 PolarHBondContact O-N 3.46Å; R131-L135 VanDerWaalsContact O-N 3.12Å |
| 132 | N | 92.1 | Very high | 92.4 | Very high | 84 Ų | 84 | 42.7 Ų | 42.7 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 178.2 | -66.7 | -16.5 | 0 | 0 | 0 | 111.2 | R128 Q129 F130 L135 S136 | R128-N132 PolarHBondContact O-N 3.42Å; Q129-N132 PolarHBondContact O-N 3.35Å; F130-N132 VanDerWaalsContact C-N 3.33Å; F130-N132 PolarHBondContact O-N 3.48Å; N132-L135 PolarHBondContact O-N 3Å; N132-S136 PolarHBondContact O-N 3.12Å; N132-S136 PolarHBondContact O-OG 2.96Å; N132-S136 VanDerWaalsContact O-OG 3.12Å |
| 133 | F | 92.7 | Very high | 92.4 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 177.5 | -178.1 | -101.5 | 0 | 0 | 0 | 112.6 | Q129 F130 R131 L135 S136 S137 W151 E185 V186 H189 | Q129-F133 PolarHBondContact O-N 2.95Å; Q129-F133 VanDerWaalsContact O-N 3.11Å; F130-F133 HydrophobicContact CD2-CD1 4.23Å; F130-F133 HydrophobicContact CE2-CD1 4.04Å; F130-F133 WeakPolarHBondContact O-CB 3.42Å; F130-F133 PolarHBondContact O-N 3.31Å; F130-F133 VanDerWaalsContact O-N 3.16Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 3.15Å; F133-L135 VanDerWaalsContact C-N 3.3Å; F133-L135 PolarHBondContact O-N 2.85Å; F133-S136 PolarHBondContact O-N 2.6Å; F133-S136 PolarHBondContact O-OG 3.18Å; F133-S137 WeakPolarHBondContact O-CB 3.38Å; F133-S137 PolarHBondContact O-N 2.87Å; F133-W151 HydrophobicContact CD1-CH2 4.33Å; F133-W151 HydrophobicContact CD1-CZ2 4.21Å; F133-W151 AromaticContact CE1-CH2 3.59Å; F133-W151 HydrophobicContact CE1-CH2 3.59Å; F133-W151 AromaticContact CE1-CZ2 3.61Å; F133-W151 HydrophobicContact CE1-CZ2 3.61Å; F133-E185 HydrophobicContact CE2-CB 4.01Å; F133-E185 HydrophobicContact CZ-CB 3.93Å; F133-V186 HydrophobicContact CD1-CG2 4.48Å; F133-V186 HydrophobicContact CE1-CG2 3.5Å; F133-V186 HydrophobicContact CZ-CB 4.41Å; F133-V186 HydrophobicContact CZ-CG2 3.62Å; F133-H189 HydrophobicContact CD2-CB 3.7Å; F133-H189 AromaticContact CD2-CG 3.55Å; F133-H189 AromaticContact CD2-ND1 3.71Å; F133-H189 HydrophobicContact CE2-CB 3.97Å |
| 134 | I | 93.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 179.2 | 62.6 | 172.9 | 0 | 0 | 0 | 111.2 | V88 I97 F130 R131 S136 S137 W151 | V88-I134 HydrophobicContact CG1-CD1 3.66Å; I97-I134 HydrophobicContact CB-CD1 4.35Å; I97-I134 HydrophobicContact CG2-CD1 4.48Å; F130-I134 HydrophobicContact CD1-CG2 4.05Å; F130-I134 HydrophobicContact CE1-CG2 3.71Å; F130-I134 HydrophobicContact CE2-CG2 4.24Å; F130-I134 HydrophobicContact CG-CG2 4.49Å; F130-I134 HydrophobicContact CZ-CG2 3.81Å; F130-I134 WeakPolarHBondContact O-CG2 3.22Å; F130-I134 PolarHBondContact O-N 3.11Å; R131-I134 WeakPolarHBondContact O-CG1 3.4Å; R131-I134 PolarHBondContact O-N 3.24Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 2.87Å; I134-S137 PolarHBondContact O-N 3.35Å; I134-S137 PolarHBondContact O-OG 2.79Å; I134-W151 HydrophobicContact CB-CG 4.39Å; I134-W151 HydrophobicContact CG2-CB 4.44Å; I134-W151 HydrophobicContact CG2-CD2 3.87Å; I134-W151 HydrophobicContact CG2-CG 3.82Å |
| 135 | L | 91.4 | Very high | 91.2 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 49% | 0.487 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 178.5 | -70.3 | 172.5 | 0 | 0 | 0 | 112 | A95 R131 N132 F133 | A95-L135 HydrophobicContact CB-CD2 3.9Å; R131-L135 HydrophobicContact CG-CD1 4.15Å; R131-L135 VanDerWaalsContact O-CG 3.24Å; R131-L135 WeakPolarHBondContact O-CG 3.25Å; R131-L135 PolarHBondContact O-N 3.46Å; R131-L135 VanDerWaalsContact O-N 3.12Å; N132-L135 PolarHBondContact O-N 3Å; F133-L135 VanDerWaalsContact C-N 3.3Å; F133-L135 PolarHBondContact O-N 2.85Å |
| 136 | S | 90.8 | Very high | 90.9 | Very high | 92 Ų | 92 | 48.4 Ų | 48.4 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -82.6 | -17.3 | 175.7 | 57 | 0 | 0 | 0 | 0 | 114.6 | N132 F133 I134 G138 | N132-S136 PolarHBondContact O-N 3.12Å; N132-S136 PolarHBondContact O-OG 2.96Å; N132-S136 VanDerWaalsContact O-OG 3.12Å; F133-S136 PolarHBondContact O-N 2.6Å; F133-S136 PolarHBondContact O-OG 3.18Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 2.87Å; S136-G138 VanDerWaalsContact C-N 3.29Å; S136-G138 PolarHBondContact O-N 3.19Å |
| 137 | S | 90.3 | Very high | 90.7 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -72.1 | -17.7 | -171.5 | 71.8 | 0 | 0 | 0 | 0 | 114.8 | F133 I134 K139 W151 | F133-S137 WeakPolarHBondContact O-CB 3.38Å; F133-S137 PolarHBondContact O-N 2.87Å; I134-S137 PolarHBondContact O-N 3.35Å; I134-S137 PolarHBondContact O-OG 2.79Å; S137-K139 PolarHBondContact O-N 3.21Å; S137-K139 VanDerWaalsContact O-N 3.12Å; S137-K139 PolarHBondContact OG-N 2.8Å; S137-W151 PolarHBondContact OG-NE1 2.92Å |
| 138 | G | 86.9 | Confident | 90.4 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | trans | 67 | 3.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S136 | S136-G138 VanDerWaalsContact C-N 3.29Å; S136-G138 PolarHBondContact O-N 3.19Å | ||
| 139 | K | 92 | Very high | 90.4 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 27% | 0.274 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -96.2 | 138.8 | 177.1 | -58.2 | -63.5 | -176.6 | 169.4 | 0 | 110.8 | S137 F150 C178 | S137-K139 PolarHBondContact O-N 3.21Å; S137-K139 VanDerWaalsContact O-N 3.12Å; S137-K139 PolarHBondContact OG-N 2.8Å; K139-F150 HydrophobicContact CB-CB 4.13Å; K139-F150 HydrophobicContact CB-CD1 3.98Å; K139-F150 HydrophobicContact CB-CG 4.37Å; K139-F150 HydrophobicContact CG-CD1 4.18Å; K139-C178 PolarHBondContact NZ-SG 2.75Å |
| 140 | A | 92.8 | Very high | 90.6 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 143.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F150 W151 | A140-F150 PolarHBondContact O-N 3.44Å; A140-W151 PolarHBondContact O-N 2.88Å |
| 141 | P | 94.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -51.9 | 148.1 | 159.1 | -27.7 | 35.8 | 0 | 0 | 0 | 112.7 | V88 Y90 A95 D143 G149 | V88-P141 HydrophobicContact CG1-CB 3.95Å; V88-P141 HydrophobicContact CG1-CG 4.24Å; Y90-P141 HydrophobicContact CD1-CG 4.47Å; Y90-P141 HydrophobicContact CD2-CB 4.45Å; Y90-P141 HydrophobicContact CE1-CB 4.3Å; Y90-P141 HydrophobicContact CE1-CG 3.94Å; Y90-P141 HydrophobicContact CE2-CB 3.95Å; Y90-P141 HydrophobicContact CE2-CG 4.48Å; Y90-P141 PolarHBondContact OH-O 2.62Å; A95-P141 HydrophobicContact CB-CG 3.44Å; A95-P141 VanDerWaalsContact CB-CG 3.44Å; P141-D143 PolarHBondContact O-N 2.87Å; P141-G149 WeakPolarHBondContact O-CA 3.18Å |
| 142 | Y | 92.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 122.4 | 173 | -177 | -101.2 | 0 | 0 | 0 | 110.6 | V144 K147 E148 W151 R152 N170 | Y142-V144 HydrophobicContact CD1-CG2 4.08Å; Y142-V144 HydrophobicContact CE1-CB 4.25Å; Y142-V144 HydrophobicContact CE1-CG1 4.23Å; Y142-V144 HydrophobicContact CE1-CG2 4.05Å; Y142-K147 WeakPolarHBondContact CE2-O 3.43Å; Y142-E148 CarbonylContact C-O 3.54Å; Y142-E148 VanDerWaalsContact CA-O 3.29Å; Y142-E148 WeakPolarHBondContact CA-O 3.23Å; Y142-E148 WeakPolarHBondContact CD2-O 3.39Å; Y142-W151 WeakPolarHBondContact CB-O 2.94Å; Y142-W151 PolarHBondContact N-O 3Å; Y142-R152 HydrophobicContact CD1-CG 4.29Å; Y142-R152 HydrophobicContact CD2-CG 3.97Å; Y142-R152 HydrophobicContact CG-CB 4.44Å; Y142-R152 HydrophobicContact CG-CG 3.75Å; Y142-R152 PolarHBondContact OH-NH2 3.36Å; Y142-N170 HydrophobicContact CD2-CB 3.96Å; Y142-N170 HydrophobicContact CE2-CB 4.19Å |
| 143 | D | 88.7 | Confident | 90.8 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 121 | 172.2 | -174.6 | -32 | 0 | 0 | 0 | 108.5 | Y90 P141 D145 T146 K147 E148 | Y90-D143 HydrophobicContact CE2-CB 4.3Å; P141-D143 PolarHBondContact O-N 2.87Å; D143-D145 VanDerWaalsContact C-N 3.3Å; D143-D145 PolarHBondContact O-N 3.06Å; D143-D145 WeakPolarHBondContact OD1-CB 3.24Å; D143-D145 PolarHBondContact OD1-N 3.31Å; D143-T146 WeakPolarHBondContact CB-OG1 3.26Å; D143-T146 PolarHBondContact OD1-N 3.03Å; D143-K147 WeakPolarHBondContact O-CA 3.19Å; D143-K147 PolarHBondContact O-N 2.74Å; D143-E148 PolarHBondContact N-O 2.73Å; D143-E148 PolarHBondContact O-N 3.49Å |
| 144 | V | 81.8 | Confident | 91.1 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -21.9 | -175.7 | -160.1 | 0 | 0 | 0 | 0 | 112.4 | H104 C108 Y142 | H104-V144 WeakPolarHBondContact CE1-CG1 3.29Å; C108-V144 HydrophobicContact CB-CG2 4.38Å; Y142-V144 HydrophobicContact CD1-CG2 4.08Å; Y142-V144 HydrophobicContact CE1-CB 4.25Å; Y142-V144 HydrophobicContact CE1-CG1 4.23Å; Y142-V144 HydrophobicContact CE1-CG2 4.05Å |
| 145 | D | 82.4 | Confident | 91.3 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -43.3 | -177.7 | -60.7 | -33.8 | 0 | 0 | 0 | 110.1 | H104 G107 D143 | H104-D145 IonicContact ND1-OD1 3.04Å; G107-D145 WeakPolarHBondContact CA-OD2 3.44Å; D143-D145 VanDerWaalsContact C-N 3.3Å; D143-D145 PolarHBondContact O-N 3.06Å; D143-D145 WeakPolarHBondContact OD1-CB 3.24Å; D143-D145 PolarHBondContact OD1-N 3.31Å |
| 146 | T | 87.3 | Confident | 91.5 | Very high | 77 Ų | 77 | 44.8 Ų | 44.8 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -20.8 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | D143 E148 | D143-T146 WeakPolarHBondContact CB-OG1 3.26Å; D143-T146 PolarHBondContact OD1-N 3.03Å; T146-E148 PolarHBondContact O-N 3.43Å; T146-E148 PolarHBondContact OG1-N 2.88Å |
| 147 | K | 87 | Confident | 91.8 | Very high | 141 Ų | 141 | 40.7 Ų | 40.7 | 61% | 0.613 | 24% | 0.235 | S | C | * | . | trans | 62.4 | 22.2 | -170.3 | -55 | -178.8 | 178.8 | 179 | 0 | 114.1 | Y142 D143 | Y142-K147 WeakPolarHBondContact CE2-O 3.43Å; D143-K147 WeakPolarHBondContact O-CA 3.19Å; D143-K147 PolarHBondContact O-N 2.74Å | ||
| 148 | E | 89.9 | Confident | 91.9 | Very high | 137 Ų | 137 | 40.4 Ų | 40.4 | 64% | 0.64 | 23% | 0.233 | S | C | * | . | trans | -105.5 | 171.2 | 178.6 | -60.6 | -174.8 | 162.3 | 0 | 0 | 111.7 | Y142 D143 T146 | Y142-E148 CarbonylContact C-O 3.54Å; Y142-E148 VanDerWaalsContact CA-O 3.29Å; Y142-E148 WeakPolarHBondContact CA-O 3.23Å; Y142-E148 WeakPolarHBondContact CD2-O 3.39Å; D143-E148 PolarHBondContact N-O 2.73Å; D143-E148 PolarHBondContact O-N 3.49Å; T146-E148 PolarHBondContact O-N 3.43Å; T146-E148 PolarHBondContact OG1-N 2.88Å | ||
| 149 | G | 92.1 | Very high | 92.1 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 24% | 0.237 | 20% | 0.199 | C | C | . | . | trans | 93.2 | 161.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P141 N170 | P141-G149 WeakPolarHBondContact O-CA 3.18Å; G149-N170 WeakPolarHBondContact O-CB 2.89Å; G149-N170 PolarHBondContact O-ND2 2.81Å | ||
| 150 | F | 95.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 4% | 0.044 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -100.8 | -52.4 | -167.2 | 178.8 | -107.5 | 0 | 0 | 0 | 112.6 | K139 A140 R152 V169 N170 L174 I182 | K139-F150 HydrophobicContact CB-CB 4.13Å; K139-F150 HydrophobicContact CB-CD1 3.98Å; K139-F150 HydrophobicContact CB-CG 4.37Å; K139-F150 HydrophobicContact CG-CD1 4.18Å; A140-F150 PolarHBondContact O-N 3.44Å; F150-R152 PolarHBondContact O-N 3.07Å; F150-V169 HydrophobicContact CD1-CG1 4.38Å; F150-V169 HydrophobicContact CD2-CB 4.24Å; F150-V169 HydrophobicContact CE1-CB 4.2Å; F150-V169 HydrophobicContact CE1-CG1 3.8Å; F150-V169 HydrophobicContact CE2-CB 3.82Å; F150-V169 HydrophobicContact CE2-CG1 4.28Å; F150-V169 HydrophobicContact CE2-CG2 3.88Å; F150-V169 HydrophobicContact CZ-CB 3.8Å; F150-V169 HydrophobicContact CZ-CG1 3.74Å; F150-V169 HydrophobicContact CZ-CG2 3.96Å; F150-V169 CarbonylContact O-C 3.6Å; F150-V169 VanDerWaalsContact O-CA 3.24Å; F150-V169 WeakPolarHBondContact O-CA 3.48Å; F150-V169 WeakPolarHBondContact O-CB 3.41Å; F150-N170 VanDerWaalsContact CD2-O 3.26Å; F150-N170 WeakPolarHBondContact CD2-O 3.35Å; F150-N170 PolarHBondContact O-N 3.18Å; F150-L174 HydrophobicContact CD2-CD1 3.45Å; F150-L174 VanDerWaalsContact CD2-CD1 3.45Å; F150-L174 HydrophobicContact CE2-CD1 3.56Å; F150-L174 HydrophobicContact CG-CD1 4.21Å; F150-L174 HydrophobicContact CZ-CD1 4.37Å; F150-I182 HydrophobicContact CE1-CD1 3.85Å; F150-I182 HydrophobicContact CE1-CG2 3.87Å; F150-I182 HydrophobicContact CE2-CD1 4.26Å; F150-I182 HydrophobicContact CZ-CD1 3.66Å; F150-I182 HydrophobicContact CZ-CG2 3.98Å |
| 151 | W | 95.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 114.2 | -175.3 | -63.9 | 118.9 | 0 | 0 | 0 | 111.4 | V88 F130 F133 I134 S137 A140 Y142 I167 V169 I182 V186 | V88-W151 HydrophobicContact CB-CB 4.11Å; V88-W151 WeakPolarHBondContact CB-O 3.45Å; V88-W151 HydrophobicContact CG1-CB 3.71Å; V88-W151 HydrophobicContact CG2-CB 4.35Å; F130-W151 HydrophobicContact CE2-CZ3 4.33Å; F130-W151 HydrophobicContact CZ-CD2 4.45Å; F130-W151 AromaticContact CZ-CE3 3.81Å; F130-W151 HydrophobicContact CZ-CE3 3.81Å; F130-W151 AromaticContact CZ-CZ3 3.99Å; F130-W151 HydrophobicContact CZ-CZ3 3.99Å; F133-W151 HydrophobicContact CD1-CH2 4.33Å; F133-W151 HydrophobicContact CD1-CZ2 4.21Å; F133-W151 AromaticContact CE1-CH2 3.59Å; F133-W151 HydrophobicContact CE1-CH2 3.59Å; F133-W151 AromaticContact CE1-CZ2 3.61Å; F133-W151 HydrophobicContact CE1-CZ2 3.61Å; I134-W151 HydrophobicContact CB-CG 4.39Å; I134-W151 HydrophobicContact CG2-CB 4.44Å; I134-W151 HydrophobicContact CG2-CD2 3.87Å; I134-W151 HydrophobicContact CG2-CG 3.82Å; S137-W151 PolarHBondContact OG-NE1 2.92Å; A140-W151 PolarHBondContact O-N 2.88Å; Y142-W151 WeakPolarHBondContact CB-O 2.94Å; Y142-W151 PolarHBondContact N-O 3Å; W151-I167 HydrophobicContact CE3-CG2 4.09Å; W151-I167 HydrophobicContact CZ3-CG2 3.58Å; W151-V169 HydrophobicContact CE3-CG1 3.68Å; W151-V169 HydrophobicContact CZ3-CG1 3.66Å; W151-I182 HydrophobicContact CH2-CG2 3.67Å; W151-I182 HydrophobicContact CZ2-CG2 4.2Å; W151-V186 HydrophobicContact CH2-CG2 4.14Å |
| 152 | R | 94.7 | Very high | 91 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -53.4 | -178.4 | -55.4 | -169.8 | 77.2 | 175.8 | -3 | 113.5 | V88 Y142 F150 T168 N170 L208 L209 | V88-R152 PolarHBondContact N-O 2.83Å; Y142-R152 HydrophobicContact CD1-CG 4.29Å; Y142-R152 HydrophobicContact CD2-CG 3.97Å; Y142-R152 HydrophobicContact CG-CB 4.44Å; Y142-R152 HydrophobicContact CG-CG 3.75Å; Y142-R152 PolarHBondContact OH-NH2 3.36Å; F150-R152 PolarHBondContact O-N 3.07Å; R152-T168 HydrophobicContact CB-CG2 4.37Å; R152-T168 WeakPolarHBondContact CB-O 3.04Å; R152-T168 PolarHBondContact N-O 3.48Å; R152-N170 HydrophobicContact CG-CB 4.02Å; R152-L208 WeakPolarHBondContact CD-O 3.15Å; R152-L208 VanDerWaalsContact NH1-C 3.27Å; R152-L208 PolarHBondContact NH1-O 3.33Å; R152-L209 PolarHBondContact NH1-O 3.15Å |
| 153 | M | 96.1 | Very high | 91 | Very high | 41 Ų | 41 | 42 Ų | 42 | 20% | 0.202 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 150.2 | -166.6 | -168.8 | 174.5 | 67.6 | 0 | 0 | 111.8 | E85 F86 T168 | E85-M153 HydrophobicContact CB-CG 4.5Å; E85-M153 HydrophobicContact CB-SD 3.84Å; E85-M153 HydrophobicContact CG-CE 4.34Å; E85-M153 HydrophobicContact CG-SD 4.2Å; F86-M153 CarbonylContact O-C 3.55Å; F86-M153 VanDerWaalsContact O-CA 3.25Å; F86-M153 WeakPolarHBondContact O-CA 3.3Å; F86-M153 VanDerWaalsContact O-CG 3.23Å; F86-M153 WeakPolarHBondContact O-CG 3.42Å; M153-T168 PolarHBondContact N-O 3.19Å; M153-T168 VanDerWaalsContact N-O 3.15Å; M153-T168 PolarHBondContact O-N 3.36Å |
| 154 | L | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.1 | 167.2 | 179.3 | 70.7 | 0 | 0 | 0 | 108.8 | F86 I97 V126 V127 F130 V156 I165 I166 I167 | F86-L154 PolarHBondContact N-O 3.28Å; F86-L154 PolarHBondContact O-N 2.92Å; I97-L154 HydrophobicContact CD1-CB 3.73Å; I97-L154 HydrophobicContact CD1-CD2 3.91Å; I97-L154 HydrophobicContact CD1-CG 4.5Å; V126-L154 HydrophobicContact CG1-CD2 4.32Å; V127-L154 HydrophobicContact CG2-CD2 4.28Å; F130-L154 HydrophobicContact CB-CD2 3.81Å; F130-L154 HydrophobicContact CD1-CB 3.98Å; F130-L154 HydrophobicContact CD1-CD1 4.28Å; F130-L154 HydrophobicContact CD1-CD2 3.88Å; F130-L154 HydrophobicContact CD1-CG 4.27Å; F130-L154 HydrophobicContact CE1-CB 4.07Å; F130-L154 HydrophobicContact CE1-CD1 4.49Å; F130-L154 HydrophobicContact CG-CD1 4.29Å; F130-L154 HydrophobicContact CG-CD2 3.98Å; L154-V156 HydrophobicContact CD2-CG2 3.76Å; L154-V156 HydrophobicContact CG-CG2 3.79Å; L154-I165 HydrophobicContact CD1-CB 4.25Å; L154-I166 WeakPolarHBondContact CA-O 3.36Å; L154-I167 HydrophobicContact CD1-CG1 3.82Å |
| 155 | T | 97.7 | Very high | 92 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.9 | 166.8 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | K83 C84 E85 I165 I166 | K83-T155 HydrophobicContact CG-CG2 4.5Å; C84-T155 CarbonylContact O-C 3.59Å; C84-T155 WeakPolarHBondContact O-CA 3.37Å; E85-T155 HydrophobicContact CG-CG2 3.85Å; T155-I165 CarbonylContact O-C 3.36Å; T155-I165 VanDerWaalsContact O-CA 3.28Å; T155-I165 WeakPolarHBondContact O-CA 3.43Å; T155-I166 HydrophobicContact CG2-CD1 4.23Å; T155-I166 PolarHBondContact N-O 3.41Å; T155-I166 PolarHBondContact O-N 3.49Å |
| 156 | V | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.9 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 109 | K83 C84 F86 M123 V126 L154 T163 I165 | K83-V156 WeakPolarHBondContact CA-O 3.33Å; C84-V156 PolarHBondContact N-O 3.47Å; C84-V156 PolarHBondContact O-N 3.36Å; F86-V156 HydrophobicContact CD2-CG2 4.13Å; F86-V156 HydrophobicContact CE2-CB 4.23Å; F86-V156 HydrophobicContact CE2-CG2 3.93Å; M123-V156 HydrophobicContact CB-CG1 4.47Å; M123-V156 HydrophobicContact CE-CB 4.23Å; M123-V156 HydrophobicContact CE-CG1 4.14Å; M123-V156 WeakPolarHBondContact CE-O 3.27Å; M123-V156 HydrophobicContact CG-CB 3.95Å; M123-V156 HydrophobicContact CG-CG1 3.85Å; M123-V156 HydrophobicContact CG-CG2 4.49Å; M123-V156 HydrophobicContact SD-CB 4.39Å; V126-V156 HydrophobicContact CG1-CG1 4.24Å; V126-V156 HydrophobicContact CG1-CG2 3.84Å; L154-V156 HydrophobicContact CD2-CG2 3.76Å; L154-V156 HydrophobicContact CG-CG2 3.79Å; V156-T163 HydrophobicContact CG1-CG2 3.94Å; V156-I165 HydrophobicContact CG1-CG2 4.18Å; V156-I165 HydrophobicContact CG2-CG2 4.24Å |
| 157 | R | 95.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 110.3 | 171.7 | -59 | -175.2 | -176.5 | -152.9 | 0.6 | 108.9 | N82 K83 Y159 T163 L164 I237 L238 P239 V241 | N82-R157 CarbonylContact O-C 3.58Å; N82-R157 WeakPolarHBondContact O-CA 3.3Å; K83-R157 HydrophobicContact CB-CG 4.27Å; K83-R157 HydrophobicContact CD-CG 4.47Å; K83-R157 HydrophobicContact CG-CG 4.02Å; R157-Y159 HydrophobicContact CB-CD2 4.4Å; R157-Y159 HydrophobicContact CB-CE2 3.66Å; R157-T163 CarbonylContact O-C 3.58Å; R157-T163 VanDerWaalsContact O-CA 3.26Å; R157-T163 WeakPolarHBondContact O-CA 3.48Å; R157-L164 HydrophobicContact CB-CB 4.35Å; R157-L164 PolarHBondContact N-O 2.9Å; R157-L164 PolarHBondContact O-N 3.37Å; R157-I237 VanDerWaalsContact NH1-CG2 3.33Å; R157-L238 PolarHBondContact NH1-O 2.69Å; R157-P239 PolarHBondContact NH2-O 2.83Å; R157-V241 PolarHBondContact NH1-O 2.91Å; R157-V241 PolarHBondContact NH2-O 2.99Å |
| 158 | C | 92.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 12% | 0.122 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 105.2 | -179.8 | -73.3 | 0 | 0 | 0 | 0 | 110.4 | N82 M123 T163 | N82-C158 WeakPolarHBondContact CB-O 3.46Å; N82-C158 PolarHBondContact O-N 3.39Å; M123-C158 HydrophobicContact CE-CB 4.11Å; C158-T163 VanDerWaalsContact SG-CG2 3.54Å |
| 159 | Y | 91.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 17.8 Ų | 17.8 | 6% | 0.059 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 170.5 | 175.1 | -55.2 | -64.7 | 0 | 0 | 0 | 110.6 | N82 R157 E161 G162 V226 Y227 E228 I237 F243 | N82-Y159 HydrophobicContact CB-CD1 4.11Å; N82-Y159 HydrophobicContact CB-CE1 4.09Å; R157-Y159 HydrophobicContact CB-CD2 4.4Å; R157-Y159 HydrophobicContact CB-CE2 3.66Å; Y159-E161 VanDerWaalsContact C-N 3.28Å; Y159-E161 PolarHBondContact O-N 2.56Å; Y159-G162 PolarHBondContact N-O 2.96Å; Y159-G162 PolarHBondContact O-N 3.38Å; Y159-V226 HydrophobicContact CD2-CB 3.98Å; Y159-V226 HydrophobicContact CD2-CG2 3.39Å; Y159-V226 HydrophobicContact CE2-CB 4.48Å; Y159-V226 HydrophobicContact CE2-CG2 3.43Å; Y159-V226 VanDerWaalsContact CE2-CG2 3.43Å; Y159-Y227 VanDerWaalsContact CB-O 3.27Å; Y159-Y227 WeakPolarHBondContact CB-O 3.36Å; Y159-E228 HydrophobicContact CD1-CB 3.68Å; Y159-E228 HydrophobicContact CD1-CG 3.75Å; Y159-E228 VanDerWaalsContact CD1-OE2 3.31Å; Y159-E228 WeakPolarHBondContact CD1-OE2 3.47Å; Y159-E228 HydrophobicContact CE1-CB 4.28Å; Y159-E228 HydrophobicContact CE1-CG 4.38Å; Y159-E228 HydrophobicContact CG-CB 3.91Å; Y159-E228 HydrophobicContact CG-CG 4.37Å; Y159-I237 HydrophobicContact CD1-CD1 4.26Å; Y159-I237 HydrophobicContact CD2-CD1 4.22Å; Y159-I237 HydrophobicContact CE1-CD1 3.77Å; Y159-I237 HydrophobicContact CE2-CB 4.4Å; Y159-I237 HydrophobicContact CE2-CD1 3.73Å; Y159-I237 HydrophobicContact CE2-CG2 4.23Å; Y159-I237 HydrophobicContact CG-CD1 4.45Å; Y159-I237 VanDerWaalsContact CZ-CD1 3.48Å; Y159-F243 HydrophobicContact CE1-CD1 4.4Å |
| 160 | E | 83.5 | Confident | 94.1 | Very high | 149 Ų | 149 | 17 Ų | 17 | 70% | 0.696 | 8% | 0.082 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -37 | -179.6 | -169.3 | 178.4 | 167.7 | 0 | 0 | 112.4 | ||
| 161 | E | 84.9 | Confident | 93.9 | Very high | 68 Ų | 68 | 17.2 Ų | 17.2 | 32% | 0.318 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 7.8 | -176.5 | -61.1 | -173 | -145.9 | 0 | 0 | 114.1 | Y159 K229 R234 | Y159-E161 VanDerWaalsContact C-N 3.28Å; Y159-E161 PolarHBondContact O-N 2.56Å; E161-K229 WeakPolarHBondContact OE1-CE 2.91Å; E161-R234 IonicContact OE1-NE 3.14Å; E161-R234 PolarHBondContact OE1-NE 3.16Å; E161-R234 VanDerWaalsContact OE1-NE 3.16Å; E161-R234 IonicContact OE2-CZ 3.94Å; E161-R234 IonicContact OE2-NE 3.8Å; E161-R234 PolarHBondContact OE2-NE 3.44Å; E161-R234 IonicContact OE2-NH2 2.71Å; E161-R234 PolarHBondContact OE2-NH2 3.27Å |
| 162 | G | 87.7 | Confident | 93.7 | Very high | 6 Ų | 6 | 20.7 Ų | 20.7 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | 158.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y159 S201 | Y159-G162 PolarHBondContact N-O 2.96Å; Y159-G162 PolarHBondContact O-N 3.38Å; G162-S201 WeakPolarHBondContact CA-OG 3.18Å |
| 163 | T | 92.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.4 | 173.7 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | V126 V156 R157 C158 I165 P199 S201 S202 | V126-T163 HydrophobicContact CG2-CG2 4.5Å; V156-T163 HydrophobicContact CG1-CG2 3.94Å; R157-T163 CarbonylContact O-C 3.58Å; R157-T163 VanDerWaalsContact O-CA 3.26Å; R157-T163 WeakPolarHBondContact O-CA 3.48Å; C158-T163 VanDerWaalsContact SG-CG2 3.54Å; T163-I165 HydrophobicContact CG2-CG2 4.31Å; T163-P199 VanDerWaalsContact CB-O 3.23Å; T163-P199 WeakPolarHBondContact CB-O 3.25Å; T163-P199 PolarHBondContact N-O 2.79Å; T163-P199 VanDerWaalsContact N-O 3.13Å; T163-P199 PolarHBondContact OG1-O 3.2Å; T163-S201 PolarHBondContact N-OG 3.36Å; T163-S201 PolarHBondContact O-N 3.32Å; T163-S202 PolarHBondContact O-N 3.42Å |
| 164 | L | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131 | 173.7 | 179.9 | 155.1 | 0 | 0 | 0 | 109.5 | R157 I166 S202 Y204 V226 P239 | R157-L164 HydrophobicContact CB-CB 4.35Å; R157-L164 PolarHBondContact N-O 2.9Å; R157-L164 PolarHBondContact O-N 3.37Å; L164-I166 HydrophobicContact CD2-CD1 3.9Å; L164-I166 HydrophobicContact CD2-CG1 3.59Å; L164-S202 WeakPolarHBondContact CA-O 3.27Å; L164-Y204 HydrophobicContact CD1-CD2 3.97Å; L164-Y204 HydrophobicContact CD1-CE2 3.73Å; L164-Y204 HydrophobicContact CD2-CD2 4.22Å; L164-Y204 HydrophobicContact CG-CD2 4Å; L164-Y204 HydrophobicContact CG-CE2 4.26Å; L164-V226 HydrophobicContact CB-CG1 3.79Å; L164-V226 HydrophobicContact CB-CG2 3.97Å; L164-V226 HydrophobicContact CD1-CG2 4.2Å; L164-P239 HydrophobicContact CD1-CB 4.4Å; L164-P239 HydrophobicContact CD2-CB 4.43Å |
| 165 | I | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.7 | 173.1 | 65.1 | 171.8 | 0 | 0 | 0 | 110.9 | V126 L154 T155 V156 T163 I167 F190 I200 S202 I203 Y204 | V126-I165 HydrophobicContact CG1-CG2 3.75Å; L154-I165 HydrophobicContact CD1-CB 4.25Å; T155-I165 CarbonylContact O-C 3.36Å; T155-I165 VanDerWaalsContact O-CA 3.28Å; T155-I165 WeakPolarHBondContact O-CA 3.43Å; V156-I165 HydrophobicContact CG1-CG2 4.18Å; V156-I165 HydrophobicContact CG2-CG2 4.24Å; T163-I165 HydrophobicContact CG2-CG2 4.31Å; I165-I167 HydrophobicContact CD1-CD1 4.32Å; I165-F190 HydrophobicContact CD1-CD1 4.35Å; I165-F190 HydrophobicContact CD1-CD2 3.77Å; I165-F190 HydrophobicContact CD1-CE1 4.36Å; I165-F190 HydrophobicContact CD1-CE2 3.8Å; I165-F190 HydrophobicContact CD1-CG 4.05Å; I165-F190 HydrophobicContact CD1-CZ 4.09Å; I165-I200 HydrophobicContact CD1-CD1 4.3Å; I165-I200 HydrophobicContact CD1-CG2 4.34Å; I165-I200 HydrophobicContact CG1-CG2 4.22Å; I165-S202 PolarHBondContact N-O 3.01Å; I165-I203 HydrophobicContact CD1-CG1 4.18Å; I165-I203 HydrophobicContact CD1-CG2 4.2Å; I165-I203 HydrophobicContact CG1-CB 4.33Å; I165-I203 HydrophobicContact CG1-CG1 4.15Å; I165-I203 HydrophobicContact CG1-CG2 4.22Å; I165-Y204 WeakPolarHBondContact O-CB 3.16Å; I165-Y204 PolarHBondContact O-N 3.48Å |
| 166 | I | 97.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.1 | 173.1 | -51.8 | 158.6 | 0 | 0 | 0 | 107.3 | L154 T155 L164 Y204 Q206 Y217 P239 | L154-I166 WeakPolarHBondContact CA-O 3.36Å; T155-I166 HydrophobicContact CG2-CD1 4.23Å; T155-I166 PolarHBondContact N-O 3.41Å; T155-I166 PolarHBondContact O-N 3.49Å; L164-I166 HydrophobicContact CD2-CD1 3.9Å; L164-I166 HydrophobicContact CD2-CG1 3.59Å; I166-Y204 WeakPolarHBondContact CA-O 3.25Å; I166-Q206 HydrophobicContact CG2-CB 3.91Å; I166-Y217 HydrophobicContact CD1-CD1 4.22Å; I166-Y217 HydrophobicContact CD1-CE1 3.88Å; I166-Y217 HydrophobicContact CG2-CD1 4.06Å; I166-Y217 HydrophobicContact CG2-CE1 4.17Å; I166-P239 HydrophobicContact CD1-CB 3.98Å; I166-P239 HydrophobicContact CG1-CB 4.43Å |
| 167 | I | 97.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 111 | 177.9 | -65.8 | 160.6 | 0 | 0 | 0 | 107.7 | F130 W151 L154 I165 V169 V186 F190 I203 Y204 Q206 | F130-I167 HydrophobicContact CD2-CD1 4.46Å; F130-I167 HydrophobicContact CE2-CD1 3.88Å; F130-I167 HydrophobicContact CE2-CG1 3.88Å; F130-I167 HydrophobicContact CE2-CG2 4.09Å; F130-I167 HydrophobicContact CZ-CG1 4.13Å; F130-I167 HydrophobicContact CZ-CG2 3.8Å; W151-I167 HydrophobicContact CE3-CG2 4.09Å; W151-I167 HydrophobicContact CZ3-CG2 3.58Å; L154-I167 HydrophobicContact CD1-CG1 3.82Å; I165-I167 HydrophobicContact CD1-CD1 4.32Å; I167-V169 HydrophobicContact CG2-CG1 4.02Å; I167-V186 HydrophobicContact CD1-CB 4.38Å; I167-V186 HydrophobicContact CD1-CG1 3.24Å; I167-V186 HydrophobicContact CD1-CG2 4.19Å; I167-F190 HydrophobicContact CD1-CE2 4.15Å; I167-I203 HydrophobicContact CD1-CG2 4.43Å; I167-Y204 PolarHBondContact N-O 3.05Å; I167-Q206 PolarHBondContact O-N 3.43Å |
| 168 | T | 97.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.9 | -179.9 | -50 | 0 | 0 | 0 | 0 | 110 | R152 M153 Q206 L208 | R152-T168 HydrophobicContact CB-CG2 4.37Å; R152-T168 WeakPolarHBondContact CB-O 3.04Å; R152-T168 PolarHBondContact N-O 3.48Å; M153-T168 PolarHBondContact N-O 3.19Å; M153-T168 VanDerWaalsContact N-O 3.15Å; M153-T168 PolarHBondContact O-N 3.36Å; T168-Q206 CarbonylContact C-O 3.51Å; T168-Q206 VanDerWaalsContact CA-O 3.27Å; T168-Q206 WeakPolarHBondContact CA-O 3.25Å; T168-Q206 HydrophobicContact CG2-CG 4.2Å; T168-Q206 VanDerWaalsContact CG2-OE1 3.31Å; T168-Q206 PolarHBondContact OG1-OE1 3.33Å; T168-L208 HydrophobicContact CG2-CB 3.67Å; T168-L208 HydrophobicContact CG2-CD2 4.17Å |
| 169 | V | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 160.4 | -177.2 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | F150 W151 I167 Y205 Q206 E207 L208 | F150-V169 HydrophobicContact CD1-CG1 4.38Å; F150-V169 HydrophobicContact CD2-CB 4.24Å; F150-V169 HydrophobicContact CE1-CB 4.2Å; F150-V169 HydrophobicContact CE1-CG1 3.8Å; F150-V169 HydrophobicContact CE2-CB 3.82Å; F150-V169 HydrophobicContact CE2-CG1 4.28Å; F150-V169 HydrophobicContact CE2-CG2 3.88Å; F150-V169 HydrophobicContact CZ-CB 3.8Å; F150-V169 HydrophobicContact CZ-CG1 3.74Å; F150-V169 HydrophobicContact CZ-CG2 3.96Å; F150-V169 CarbonylContact O-C 3.6Å; F150-V169 VanDerWaalsContact O-CA 3.24Å; F150-V169 WeakPolarHBondContact O-CA 3.48Å; F150-V169 WeakPolarHBondContact O-CB 3.41Å; W151-V169 HydrophobicContact CE3-CG1 3.68Å; W151-V169 HydrophobicContact CZ3-CG1 3.66Å; I167-V169 HydrophobicContact CG2-CG1 4.02Å; V169-Y205 HydrophobicContact CB-CE2 4.44Å; V169-Y205 HydrophobicContact CG1-CE2 4.11Å; V169-Y205 HydrophobicContact CG2-CD2 4.43Å; V169-Y205 HydrophobicContact CG2-CE1 4.44Å; V169-Y205 HydrophobicContact CG2-CE2 3.44Å; V169-Y205 VanDerWaalsContact CG2-CE2 3.44Å; V169-Y205 VanDerWaalsContact CG2-CZ 3.43Å; V169-Y205 WeakPolarHBondContact CG2-OH 3.43Å; V169-Q206 PolarHBondContact N-O 2.66Å; V169-E207 HydrophobicContact CG2-CG 4.37Å; V169-L208 PolarHBondContact O-N 3.48Å |
| 170 | N | 94.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | trans | -104.5 | 103.6 | 165.9 | 171.4 | 24.5 | 0 | 0 | 0 | 107.9 | Y142 G149 F150 R152 S172 | Y142-N170 HydrophobicContact CD2-CB 3.96Å; Y142-N170 HydrophobicContact CE2-CB 4.19Å; G149-N170 WeakPolarHBondContact O-CB 2.89Å; G149-N170 PolarHBondContact O-ND2 2.81Å; F150-N170 VanDerWaalsContact CD2-O 3.26Å; F150-N170 WeakPolarHBondContact CD2-O 3.35Å; F150-N170 PolarHBondContact O-N 3.18Å; R152-N170 HydrophobicContact CG-CB 4.02Å; N170-S172 PolarHBondContact O-N 3.11Å; N170-S172 VanDerWaalsContact O-N 3.17Å; N170-S172 VanDerWaalsContact OD1-CB 3.27Å; N170-S172 WeakPolarHBondContact OD1-CB 3.21Å; N170-S172 PolarHBondContact OD1-N 2.84Å; N170-S172 PolarHBondContact OD1-OG 3.38Å | ||
| 171 | P | 92.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | trans | -77.1 | 3.9 | -175.4 | 33.2 | -37.1 | 0 | 0 | 0 | 113.7 | G173 L174 I179 E207 L209 | P171-G173 PolarHBondContact O-N 2.92Å; P171-L174 PolarHBondContact O-N 3.49Å; P171-L174 VanDerWaalsContact O-N 3.12Å; P171-I179 HydrophobicContact CB-CD1 3.78Å; P171-E207 HydrophobicContact CG-CB 4.14Å; P171-E207 HydrophobicContact CG-CG 4.13Å; P171-L209 HydrophobicContact CG-CD2 4.3Å | ||
| 172 | S | 90.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 52% | 0.524 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 126.2 | -176.1 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | N170 L209 | N170-S172 PolarHBondContact O-N 3.11Å; N170-S172 VanDerWaalsContact O-N 3.17Å; N170-S172 VanDerWaalsContact OD1-CB 3.27Å; N170-S172 WeakPolarHBondContact OD1-CB 3.21Å; N170-S172 PolarHBondContact OD1-N 2.84Å; N170-S172 PolarHBondContact OD1-OG 3.38Å; S172-L209 WeakPolarHBondContact OG-CD2 3.47Å |
| 173 | G | 87.7 | Confident | 93.6 | Very high | 88 Ų | 88 | 36.8 Ų | 36.8 | 91% | 0.907 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 1.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P171 | P171-G173 PolarHBondContact O-N 2.92Š|
| 174 | L | 89.6 | Confident | 93.7 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | trans | -105.7 | 144.8 | 174.3 | -59.9 | -178.9 | 0 | 0 | 0 | 111.4 | F150 P171 I179 I182 | F150-L174 HydrophobicContact CD2-CD1 3.45Å; F150-L174 VanDerWaalsContact CD2-CD1 3.45Å; F150-L174 HydrophobicContact CE2-CD1 3.56Å; F150-L174 HydrophobicContact CG-CD1 4.21Å; F150-L174 HydrophobicContact CZ-CD1 4.37Å; P171-L174 PolarHBondContact O-N 3.49Å; P171-L174 VanDerWaalsContact O-N 3.12Å; L174-I179 HydrophobicContact CB-CD1 4.49Å; L174-I179 HydrophobicContact CB-CG1 4.18Å; L174-I182 HydrophobicContact CD1-CD1 4.02Å | ||
| 175 | D | 92 | Very high | 93.6 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | trans | -84 | 167.8 | 172.7 | 68.1 | 28.9 | 0 | 0 | 0 | 112.3 | T177 C178 I179 | D175-T177 PolarHBondContact O-N 3.02Å; D175-T177 PolarHBondContact OD1-N 3.19Å; D175-C178 PolarHBondContact O-N 2.77Å; D175-C178 VanDerWaalsContact OD1-CB 3.32Å; D175-C178 WeakPolarHBondContact OD1-CB 3.39Å; D175-C178 PolarHBondContact OD1-N 3.36Å; D175-I179 WeakPolarHBondContact O-CG1 3.46Å; D175-I179 PolarHBondContact O-N 3.01Å; D175-I179 VanDerWaalsContact O-N 3.08Å | ||
| 176 | A | 91.9 | Very high | 93.4 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.3 | -29.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A180 | A176-A180 WeakPolarHBondContact O-CB 3.42Å; A176-A180 PolarHBondContact O-N 2.72Å |
| 177 | T | 93.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 56% | 0.564 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.6 | -48.3 | 178.7 | -51 | 0 | 0 | 0 | 0 | 110.2 | D175 I179 A180 E181 | D175-T177 PolarHBondContact O-N 3.02Å; D175-T177 PolarHBondContact OD1-N 3.19Å; T177-I179 VanDerWaalsContact C-N 3.32Å; T177-I179 PolarHBondContact O-N 2.79Å; T177-A180 PolarHBondContact O-N 3.05Å; T177-A180 VanDerWaalsContact O-N 3.17Å; T177-E181 WeakPolarHBondContact O-CG 3.3Å; T177-E181 PolarHBondContact O-N 3.02Å |
| 178 | C | 91.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | K139 D175 E181 I182 | K139-C178 PolarHBondContact NZ-SG 2.75Å; D175-C178 PolarHBondContact O-N 2.77Å; D175-C178 VanDerWaalsContact OD1-CB 3.32Å; D175-C178 WeakPolarHBondContact OD1-CB 3.39Å; D175-C178 PolarHBondContact OD1-N 3.36Å; C178-E181 PolarHBondContact O-N 2.94Å; C178-I182 WeakPolarHBondContact O-CD1 3.39Å; C178-I182 VanDerWaalsContact O-CG1 3.26Å; C178-I182 WeakPolarHBondContact O-CG1 3.43Å; C178-I182 PolarHBondContact O-N 2.71Å |
| 179 | I | 93.5 | Very high | 92.3 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.1 | -68 | 169.2 | 0 | 0 | 0 | 111.2 | P171 L174 D175 T177 E181 I182 K183 Y205 | P171-I179 HydrophobicContact CB-CD1 3.78Å; L174-I179 HydrophobicContact CB-CD1 4.49Å; L174-I179 HydrophobicContact CB-CG1 4.18Å; D175-I179 WeakPolarHBondContact O-CG1 3.46Å; D175-I179 PolarHBondContact O-N 3.01Å; D175-I179 VanDerWaalsContact O-N 3.08Å; T177-I179 VanDerWaalsContact C-N 3.32Å; T177-I179 PolarHBondContact O-N 2.79Å; I179-E181 PolarHBondContact O-N 2.76Å; I179-I182 PolarHBondContact O-N 3.01Å; I179-K183 HydrophobicContact CG2-CD 4.14Å; I179-K183 VanDerWaalsContact O-CG 3.3Å; I179-K183 WeakPolarHBondContact O-CG 3.35Å; I179-K183 PolarHBondContact O-N 3.48Å; I179-Y205 WeakPolarHBondContact CG2-OH 3.31Å |
| 180 | A | 95 | Very high | 91.8 | Very high | 56 Ų | 56 | 54.9 Ų | 54.9 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A176 T177 K183 K184 | A176-A180 WeakPolarHBondContact O-CB 3.42Å; A176-A180 PolarHBondContact O-N 2.72Å; T177-A180 PolarHBondContact O-N 3.05Å; T177-A180 VanDerWaalsContact O-N 3.17Å; A180-K183 PolarHBondContact O-N 3.18Å; A180-K184 PolarHBondContact O-N 3.5Å; A180-K184 VanDerWaalsContact O-N 3.11Å |
| 181 | E | 93.8 | Very high | 90.7 | Very high | 113 Ų | 113 | 58.2 Ų | 58.2 | 53% | 0.528 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 174.3 | -72.9 | 174.3 | 171.2 | 0 | 0 | 111.5 | T177 C178 I179 K183 K184 E185 | T177-E181 WeakPolarHBondContact O-CG 3.3Å; T177-E181 PolarHBondContact O-N 3.02Å; C178-E181 PolarHBondContact O-N 2.94Å; I179-E181 PolarHBondContact O-N 2.76Å; E181-K183 VanDerWaalsContact C-N 3.32Å; E181-K183 PolarHBondContact O-N 2.86Å; E181-K184 WeakPolarHBondContact O-CB 3.34Å; E181-K184 PolarHBondContact O-N 2.89Å; E181-K184 VanDerWaalsContact O-N 3.08Å; E181-E185 WeakPolarHBondContact O-CG 3.45Å; E181-E185 PolarHBondContact O-N 2.95Å |
| 182 | I | 93.1 | Very high | 89.2 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 177.7 | -67 | 164.6 | 0 | 0 | 0 | 111.2 | F150 W151 L174 C178 I179 K184 E185 V186 | F150-I182 HydrophobicContact CE1-CD1 3.85Å; F150-I182 HydrophobicContact CE1-CG2 3.87Å; F150-I182 HydrophobicContact CE2-CD1 4.26Å; F150-I182 HydrophobicContact CZ-CD1 3.66Å; F150-I182 HydrophobicContact CZ-CG2 3.98Å; W151-I182 HydrophobicContact CH2-CG2 3.67Å; W151-I182 HydrophobicContact CZ2-CG2 4.2Å; L174-I182 HydrophobicContact CD1-CD1 4.02Å; C178-I182 WeakPolarHBondContact O-CD1 3.39Å; C178-I182 VanDerWaalsContact O-CG1 3.26Å; C178-I182 WeakPolarHBondContact O-CG1 3.43Å; C178-I182 PolarHBondContact O-N 2.71Å; I179-I182 PolarHBondContact O-N 3.01Å; I182-K184 VanDerWaalsContact C-N 3.29Å; I182-K184 PolarHBondContact O-N 3.33Å; I182-E185 PolarHBondContact O-N 3.45Å; I182-V186 HydrophobicContact CG2-CG2 4.42Å; I182-V186 WeakPolarHBondContact O-CG2 3.44Å; I182-V186 PolarHBondContact O-N 2.92Å |
| 183 | K | 94.8 | Very high | 88 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 176.3 | -74.1 | 172.6 | 174.3 | -172.8 | 0 | 111.5 | I179 A180 E181 V186 V187 Y205 E218 L220 | I179-K183 HydrophobicContact CG2-CD 4.14Å; I179-K183 VanDerWaalsContact O-CG 3.3Å; I179-K183 WeakPolarHBondContact O-CG 3.35Å; I179-K183 PolarHBondContact O-N 3.48Å; A180-K183 PolarHBondContact O-N 3.18Å; E181-K183 VanDerWaalsContact C-N 3.32Å; E181-K183 PolarHBondContact O-N 2.86Å; K183-V186 PolarHBondContact O-N 3.41Å; K183-V187 WeakPolarHBondContact O-CG2 3.46Å; K183-V187 PolarHBondContact O-N 3.17Å; K183-V187 VanDerWaalsContact O-N 3.1Å; K183-Y205 HydrophobicContact CG-CD2 4.15Å; K183-Y205 HydrophobicContact CG-CE2 4.28Å; K183-Y205 HydrophobicContact CG-CG 4.34Å; K183-E218 IonicContact NZ-OE1 2.74Å; K183-E218 PolarHBondContact NZ-OE1 3.37Å; K183-E218 IonicContact NZ-OE2 3.85Å; K183-E218 PolarHBondContact NZ-OE2 2.98Å; K183-L220 HydrophobicContact CB-CD1 4.1Å; K183-L220 HydrophobicContact CB-CD2 4.07Å; K183-L220 HydrophobicContact CD-CD2 3.87Å; K183-L220 HydrophobicContact CG-CD1 4.15Å; K183-L220 HydrophobicContact CG-CD2 3.88Å |
| 184 | K | 93.6 | Very high | 86.9 | Confident | 145 Ų | 145 | 64.3 Ų | 64.3 | 63% | 0.63 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 177.4 | -171 | -179.6 | 179.4 | -176.8 | 0 | 111.8 | A180 E181 I182 V187 N188 | A180-K184 PolarHBondContact O-N 3.5Å; A180-K184 VanDerWaalsContact O-N 3.11Å; E181-K184 WeakPolarHBondContact O-CB 3.34Å; E181-K184 PolarHBondContact O-N 2.89Å; E181-K184 VanDerWaalsContact O-N 3.08Å; I182-K184 VanDerWaalsContact C-N 3.29Å; I182-K184 PolarHBondContact O-N 3.33Å; K184-V187 PolarHBondContact O-N 3Å; K184-N188 WeakPolarHBondContact O-CB 3.14Å; K184-N188 PolarHBondContact O-N 2.73Å; K184-N188 PolarHBondContact O-ND2 3.09Å |
| 185 | E | 92.3 | Very high | 85.7 | Confident | 97 Ų | 97 | 67.1 Ų | 67.1 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176 | -72 | 177.1 | 177.7 | 0 | 0 | 112.1 | F133 E181 I182 V187 N188 H189 | F133-E185 HydrophobicContact CE2-CB 4.01Å; F133-E185 HydrophobicContact CZ-CB 3.93Å; E181-E185 WeakPolarHBondContact O-CG 3.45Å; E181-E185 PolarHBondContact O-N 2.95Å; I182-E185 PolarHBondContact O-N 3.45Å; E185-V187 PolarHBondContact O-N 3.18Å; E185-N188 PolarHBondContact O-N 3.15Å; E185-H189 WeakPolarHBondContact O-CB 3.42Å; E185-H189 PolarHBondContact O-N 3.27Å |
| 186 | V | 92.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 174.7 | 163 | 0 | 0 | 0 | 0 | 111.1 | F133 W151 I167 I182 K183 H189 F190 I203 L220 | F133-V186 HydrophobicContact CD1-CG2 4.48Å; F133-V186 HydrophobicContact CE1-CG2 3.5Å; F133-V186 HydrophobicContact CZ-CB 4.41Å; F133-V186 HydrophobicContact CZ-CG2 3.62Å; W151-V186 HydrophobicContact CH2-CG2 4.14Å; I167-V186 HydrophobicContact CD1-CB 4.38Å; I167-V186 HydrophobicContact CD1-CG1 3.24Å; I167-V186 HydrophobicContact CD1-CG2 4.19Å; I182-V186 HydrophobicContact CG2-CG2 4.42Å; I182-V186 WeakPolarHBondContact O-CG2 3.44Å; I182-V186 PolarHBondContact O-N 2.92Å; K183-V186 PolarHBondContact O-N 3.41Å; V186-H189 PolarHBondContact O-N 2.94Å; V186-F190 HydrophobicContact CG1-CD2 4.28Å; V186-F190 WeakPolarHBondContact O-CD2 3.41Å; V186-F190 PolarHBondContact O-N 3.2Å; V186-I203 HydrophobicContact CG1-CG2 3.94Å; V186-L220 HydrophobicContact CG1-CD1 4.15Å |
| 187 | V | 91.7 | Very high | 83 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 15% | 0.145 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 177.9 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | K183 K184 E185 H189 F190 L191 L220 | K183-V187 WeakPolarHBondContact O-CG2 3.46Å; K183-V187 PolarHBondContact O-N 3.17Å; K183-V187 VanDerWaalsContact O-N 3.1Å; K184-V187 PolarHBondContact O-N 3Å; E185-V187 PolarHBondContact O-N 3.18Å; V187-H189 VanDerWaalsContact C-N 3.28Å; V187-H189 PolarHBondContact O-N 3.47Å; V187-F190 PolarHBondContact O-N 3.45Å; V187-L191 HydrophobicContact CG1-CB 4.18Å; V187-L191 HydrophobicContact CG1-CD1 4.05Å; V187-L191 WeakPolarHBondContact O-CB 3.47Å; V187-L191 PolarHBondContact O-N 2.8Å; V187-L220 HydrophobicContact CG2-CB 3.65Å; V187-L220 HydrophobicContact CG2-CD1 4.21Å |
| 188 | N | 88.8 | Confident | 82.1 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 178.7 | -69.2 | -22.1 | 0 | 0 | 0 | 112.5 | K184 E185 Y192 | K184-N188 WeakPolarHBondContact O-CB 3.14Å; K184-N188 PolarHBondContact O-N 2.73Å; K184-N188 PolarHBondContact O-ND2 3.09Å; E185-N188 PolarHBondContact O-N 3.15Å; N188-Y192 HydrophobicContact CB-CD2 4.44Å; N188-Y192 HydrophobicContact CB-CE2 4.22Å; N188-Y192 VanDerWaalsContact O-CD2 3.28Å; N188-Y192 WeakPolarHBondContact O-CD2 3.42Å |
| 189 | H | 88.2 | Confident | 81.5 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 21% | 0.213 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | -179.4 | -173 | 76.1 | 0 | 0 | 0 | 112.9 | Q129 F133 E185 V186 V187 Q193 | Q129-H189 PolarHBondContact O-NE2 3.47Å; F133-H189 HydrophobicContact CD2-CB 3.7Å; F133-H189 AromaticContact CD2-CG 3.55Å; F133-H189 AromaticContact CD2-ND1 3.71Å; F133-H189 HydrophobicContact CE2-CB 3.97Å; E185-H189 WeakPolarHBondContact O-CB 3.42Å; E185-H189 PolarHBondContact O-N 3.27Å; V186-H189 PolarHBondContact O-N 2.94Å; V187-H189 VanDerWaalsContact C-N 3.28Å; V187-H189 PolarHBondContact O-N 3.47Å; H189-Q193 VanDerWaalsContact O-CG 3.3Å; H189-Q193 WeakPolarHBondContact O-CG 3.34Å; H189-Q193 PolarHBondContact O-NE2 3.44Å |
| 190 | F | 85.8 | Confident | 81.2 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -98.1 | -30.2 | -174.6 | -71.9 | -65.6 | 0 | 0 | 0 | 114.6 | Q129 F130 I165 I167 V186 V187 I200 I203 | Q129-F190 HydrophobicContact CB-CE1 4Å; F130-F190 HydrophobicContact CB-CZ 3.94Å; F130-F190 AromaticContact CD2-CE2 3.86Å; F130-F190 HydrophobicContact CD2-CE2 3.86Å; F130-F190 AromaticContact CD2-CZ 3.75Å; F130-F190 HydrophobicContact CD2-CZ 3.75Å; F130-F190 HydrophobicContact CG-CZ 4.28Å; I165-F190 HydrophobicContact CD1-CD1 4.35Å; I165-F190 HydrophobicContact CD1-CD2 3.77Å; I165-F190 HydrophobicContact CD1-CE1 4.36Å; I165-F190 HydrophobicContact CD1-CE2 3.8Å; I165-F190 HydrophobicContact CD1-CG 4.05Å; I165-F190 HydrophobicContact CD1-CZ 4.09Å; I167-F190 HydrophobicContact CD1-CE2 4.15Å; V186-F190 HydrophobicContact CG1-CD2 4.28Å; V186-F190 WeakPolarHBondContact O-CD2 3.41Å; V186-F190 PolarHBondContact O-N 3.2Å; V187-F190 PolarHBondContact O-N 3.45Å; F190-I200 HydrophobicContact CB-CD1 3.93Å; F190-I200 HydrophobicContact CD1-CD1 3.26Å; F190-I200 HydrophobicContact CE1-CD1 3.97Å; F190-I200 HydrophobicContact CG-CD1 3.84Å; F190-I203 HydrophobicContact CB-CD1 3.68Å |
| 191 | L | 70.7 | Confident | 81 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 40% | 0.403 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75 | -28.6 | -171.6 | -164.6 | 118.1 | 0 | 0 | 0 | 113.6 | V187 S221 | V187-L191 HydrophobicContact CG1-CB 4.18Å; V187-L191 HydrophobicContact CG1-CD1 4.05Å; V187-L191 WeakPolarHBondContact O-CB 3.47Å; V187-L191 PolarHBondContact O-N 2.8Å; L191-S221 WeakPolarHBondContact CD1-OG 3.41Å |
| 192 | Y | 61.9 | Low | 81 | Confident | 174 Ų | 174 | 58 Ų | 58 | 68% | 0.682 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 17 | -177.8 | -56.5 | -64.7 | 0 | 0 | 0 | 113.7 | N188 | N188-Y192 HydrophobicContact CB-CD2 4.44Å; N188-Y192 HydrophobicContact CB-CE2 4.22Å; N188-Y192 VanDerWaalsContact O-CD2 3.28Å; N188-Y192 WeakPolarHBondContact O-CD2 3.42Å |
| 193 | Q | 64.7 | Low | 81.1 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -86 | 157.8 | 176.1 | -57.3 | -155.2 | 1.8 | 0 | 0 | 111.6 | H189 M195 | H189-Q193 VanDerWaalsContact O-CG 3.3Å; H189-Q193 WeakPolarHBondContact O-CG 3.34Å; H189-Q193 PolarHBondContact O-NE2 3.44Å; Q193-M195 PolarHBondContact O-N 2.9Å |
| 194 | D | 65.2 | Low | 81.2 | Confident | 91 Ų | 91 | 56.8 Ų | 56.8 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | trans | -63 | 108.2 | 175.8 | 179 | -2.3 | 0 | 0 | 0 | 110.4 | T196 T197 L198 | D194-T196 PolarHBondContact O-N 3.21Å; D194-T196 VanDerWaalsContact O-N 3.08Å; D194-T196 WeakPolarHBondContact OD1-CB 3.31Å; D194-T196 PolarHBondContact OD1-N 2.92Å; D194-T196 PolarHBondContact OD1-OG1 3.38Å; D194-T196 PolarHBondContact OD2-OG1 3.21Å; D194-T197 HydrophobicContact CB-CG2 4.47Å; D194-T197 PolarHBondContact O-N 3.46Å; D194-T197 PolarHBondContact O-OG1 2.81Å; D194-L198 PolarHBondContact O-N 3.06Å | ||
| 195 | M | 64.7 | Low | 81.4 | Confident | 109 Ų | 109 | 50.1 Ų | 50.1 | 54% | 0.537 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.7 | 179.8 | -71.3 | -67.4 | -73.2 | 0 | 0 | 113.5 | Q193 T197 | Q193-M195 PolarHBondContact O-N 2.9Å; M195-T197 VanDerWaalsContact C-N 3.28Å |
| 196 | T | 61.5 | Low | 81.5 | Confident | 120 Ų | 120 | 46 Ų | 46 | 74% | 0.736 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -26.7 | 174.7 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | D194 | D194-T196 PolarHBondContact O-N 3.21Å; D194-T196 VanDerWaalsContact O-N 3.08Å; D194-T196 WeakPolarHBondContact OD1-CB 3.31Å; D194-T196 PolarHBondContact OD1-N 2.92Å; D194-T196 PolarHBondContact OD1-OG1 3.38Å; D194-T196 PolarHBondContact OD2-OG1 3.21Å |
| 197 | T | 66.3 | Low | 81.6 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -32.1 | -179.1 | 66.7 | 0 | 0 | 0 | 0 | 113.2 | D194 M195 | D194-T197 HydrophobicContact CB-CG2 4.47Å; D194-T197 PolarHBondContact O-N 3.46Å; D194-T197 PolarHBondContact O-OG1 2.81Å; M195-T197 VanDerWaalsContact C-N 3.28Å |
| 198 | L | 73.9 | Confident | 81.6 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | trans | -136.3 | 85.9 | 177.1 | -88 | 103.4 | 0 | 0 | 0 | 110.6 | V126 Q129 D194 I200 | V126-L198 HydrophobicContact CB-CD2 4.38Å; V126-L198 HydrophobicContact CG2-CD2 3.74Å; V126-L198 HydrophobicContact CG2-CG 4.46Å; Q129-L198 HydrophobicContact CB-CD2 4.41Å; Q129-L198 HydrophobicContact CG-CD1 4.19Å; Q129-L198 HydrophobicContact CG-CD2 3.96Å; D194-L198 PolarHBondContact O-N 3.06Å; L198-I200 HydrophobicContact CD2-CD1 3.99Å; L198-I200 PolarHBondContact O-N 2.75Å | ||
| 199 | P | 78.5 | Confident | 81.5 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | trans | -78.8 | 63.3 | 179.9 | 32.9 | -36.2 | 0 | 0 | 0 | 111.7 | V122 T163 S201 | V122-P199 HydrophobicContact CG1-CG 4.32Å; T163-P199 VanDerWaalsContact CB-O 3.23Å; T163-P199 WeakPolarHBondContact CB-O 3.25Å; T163-P199 PolarHBondContact N-O 2.79Å; T163-P199 VanDerWaalsContact N-O 3.13Å; T163-P199 PolarHBondContact OG1-O 3.2Å; P199-S201 PolarHBondContact O-N 3.48Å | ||
| 200 | I | 88.9 | Confident | 81.3 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 111.3 | 176.1 | -61.2 | 172.2 | 0 | 0 | 0 | 108.8 | V126 I165 F190 L198 I203 | V126-I200 HydrophobicContact CG2-CD1 4.44Å; V126-I200 HydrophobicContact CG2-CG1 4.44Å; I165-I200 HydrophobicContact CD1-CD1 4.3Å; I165-I200 HydrophobicContact CD1-CG2 4.34Å; I165-I200 HydrophobicContact CG1-CG2 4.22Å; F190-I200 HydrophobicContact CB-CD1 3.93Å; F190-I200 HydrophobicContact CD1-CD1 3.26Å; F190-I200 HydrophobicContact CE1-CD1 3.97Å; F190-I200 HydrophobicContact CG-CD1 3.84Å; L198-I200 HydrophobicContact CD2-CD1 3.99Å; L198-I200 PolarHBondContact O-N 2.75Å; I200-I203 HydrophobicContact CG2-CD1 4.39Å; I200-I203 HydrophobicContact CG2-CG1 3.73Å |
| 201 | S | 89.9 | Confident | 80.9 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -25.8 | -179.2 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | G162 T163 P199 G222 S223 | G162-S201 WeakPolarHBondContact CA-OG 3.18Å; T163-S201 PolarHBondContact N-OG 3.36Å; T163-S201 PolarHBondContact O-N 3.32Å; P199-S201 PolarHBondContact O-N 3.48Å; S201-G222 CarbonylContact O-C 3.55Å; S201-G222 VanDerWaalsContact O-CA 3.23Å; S201-G222 WeakPolarHBondContact O-CA 3.28Å; S201-S223 PolarHBondContact O-N 2.6Å |
| 202 | S | 93.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128 | -172.2 | -57.5 | 0 | 0 | 0 | 0 | 111 | T163 L164 I165 S223 | T163-S202 PolarHBondContact O-N 3.42Å; L164-S202 WeakPolarHBondContact CA-O 3.27Å; I165-S202 PolarHBondContact N-O 3.01Å; S202-S223 WeakPolarHBondContact CB-O 3.22Å; S202-S223 PolarHBondContact OG-O 3.32Å |
| 203 | I | 95.2 | Very high | 82.4 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114 | 176 | -54.4 | 172.9 | 0 | 0 | 0 | 108.6 | I165 I167 V186 F190 I200 L220 S221 | I165-I203 HydrophobicContact CD1-CG1 4.18Å; I165-I203 HydrophobicContact CD1-CG2 4.2Å; I165-I203 HydrophobicContact CG1-CB 4.33Å; I165-I203 HydrophobicContact CG1-CG1 4.15Å; I165-I203 HydrophobicContact CG1-CG2 4.22Å; I167-I203 HydrophobicContact CD1-CG2 4.43Å; V186-I203 HydrophobicContact CG1-CG2 3.94Å; F190-I203 HydrophobicContact CB-CD1 3.68Å; I200-I203 HydrophobicContact CG2-CD1 4.39Å; I200-I203 HydrophobicContact CG2-CG1 3.73Å; I203-L220 HydrophobicContact CG2-CB 4.32Å; I203-L220 HydrophobicContact CG2-CD1 4.34Å; I203-L220 PolarHBondContact O-N 3.41Å; I203-S221 PolarHBondContact N-O 2.79Å; I203-S221 PolarHBondContact O-N 3.48Å |
| 204 | Y | 97.2 | Very high | 83.2 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.4 | 176.6 | -81.9 | -88.1 | 0 | 0 | 0 | 111.9 | L164 I165 I166 I167 E218 L219 A224 P239 | L164-Y204 HydrophobicContact CD1-CD2 3.97Å; L164-Y204 HydrophobicContact CD1-CE2 3.73Å; L164-Y204 HydrophobicContact CD2-CD2 4.22Å; L164-Y204 HydrophobicContact CG-CD2 4Å; L164-Y204 HydrophobicContact CG-CE2 4.26Å; I165-Y204 WeakPolarHBondContact O-CB 3.16Å; I165-Y204 PolarHBondContact O-N 3.48Å; I166-Y204 WeakPolarHBondContact CA-O 3.25Å; I167-Y204 PolarHBondContact N-O 3.05Å; Y204-E218 CarbonylContact C-O 3.53Å; Y204-E218 VanDerWaalsContact CA-O 3.31Å; Y204-E218 WeakPolarHBondContact CA-O 3.37Å; Y204-E218 WeakPolarHBondContact CD1-O 3.16Å; Y204-L219 HydrophobicContact CD1-CB 4.32Å; Y204-L219 HydrophobicContact CD2-CD1 4.22Å; Y204-L219 HydrophobicContact CE1-CB 3.76Å; Y204-L219 HydrophobicContact CE1-CD1 4.22Å; Y204-L219 HydrophobicContact CE2-CD1 3.72Å; Y204-A224 VanDerWaalsContact OH-C 3.23Å; Y204-A224 WeakPolarHBondContact OH-CA 3.21Å; Y204-A224 PolarHBondContact OH-O 3.04Å; Y204-P239 HydrophobicContact CD1-CG 4.25Å; Y204-P239 HydrophobicContact CD2-CB 4.3Å; Y204-P239 HydrophobicContact CD2-CG 4.48Å; Y204-P239 HydrophobicContact CE1-CB 4.47Å; Y204-P239 HydrophobicContact CE1-CG 3.79Å; Y204-P239 HydrophobicContact CE2-CB 4.28Å; Y204-P239 HydrophobicContact CE2-CG 4.04Å; Y204-P239 HydrophobicContact CG-CB 4.41Å |
| 205 | Y | 96.7 | Very high | 84.1 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.3 | 170.6 | 176.2 | -93.8 | 0 | 0 | 0 | 109.5 | V169 I179 K183 E207 E218 | V169-Y205 HydrophobicContact CB-CE2 4.44Å; V169-Y205 HydrophobicContact CG1-CE2 4.11Å; V169-Y205 HydrophobicContact CG2-CD2 4.43Å; V169-Y205 HydrophobicContact CG2-CE1 4.44Å; V169-Y205 HydrophobicContact CG2-CE2 3.44Å; V169-Y205 VanDerWaalsContact CG2-CE2 3.44Å; V169-Y205 VanDerWaalsContact CG2-CZ 3.43Å; V169-Y205 WeakPolarHBondContact CG2-OH 3.43Å; I179-Y205 WeakPolarHBondContact CG2-OH 3.31Å; K183-Y205 HydrophobicContact CG-CD2 4.15Å; K183-Y205 HydrophobicContact CG-CE2 4.28Å; K183-Y205 HydrophobicContact CG-CG 4.34Å; Y205-E207 HydrophobicContact CD1-CG 4.25Å; Y205-E207 HydrophobicContact CE1-CG 3.32Å; Y205-E207 VanDerWaalsContact CE1-OE1 3.27Å; Y205-E207 WeakPolarHBondContact CE1-OE1 3.46Å; Y205-E207 PolarHBondContact OH-OE1 3.16Å; Y205-E218 PolarHBondContact N-O 3.45Å; Y205-E218 PolarHBondContact O-N 2.9Å |
| 206 | Q | 96.3 | Very high | 85.3 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.4 | -179.6 | 174.9 | -178.7 | 70.1 | 0 | 0 | 109.9 | I166 I167 T168 V169 R216 | I166-Q206 HydrophobicContact CG2-CB 3.91Å; I167-Q206 PolarHBondContact O-N 3.43Å; T168-Q206 CarbonylContact C-O 3.51Å; T168-Q206 VanDerWaalsContact CA-O 3.27Å; T168-Q206 WeakPolarHBondContact CA-O 3.25Å; T168-Q206 HydrophobicContact CG2-CG 4.2Å; T168-Q206 VanDerWaalsContact CG2-OE1 3.31Å; T168-Q206 PolarHBondContact OG1-OE1 3.33Å; V169-Q206 PolarHBondContact N-O 2.66Å; Q206-R216 WeakPolarHBondContact CG-O 3.39Å |
| 207 | E | 94.1 | Very high | 86.8 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 131.2 | 170.4 | -59.6 | -172.4 | 165.4 | 0 | 0 | 109.3 | V169 P171 Y205 | V169-E207 HydrophobicContact CG2-CG 4.37Å; P171-E207 HydrophobicContact CG-CB 4.14Å; P171-E207 HydrophobicContact CG-CG 4.13Å; Y205-E207 HydrophobicContact CD1-CG 4.25Å; Y205-E207 HydrophobicContact CE1-CG 3.32Å; Y205-E207 VanDerWaalsContact CE1-OE1 3.27Å; Y205-E207 WeakPolarHBondContact CE1-OE1 3.46Å; Y205-E207 PolarHBondContact OH-OE1 3.16Å |
| 208 | L | 91.7 | Very high | 88.2 | Confident | 28 Ų | 28 | 60 Ų | 60 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | trans | -138.7 | 111.6 | 175.9 | -165 | 74.2 | 0 | 0 | 0 | 107.6 | R152 T168 V169 N210 D213 | R152-L208 WeakPolarHBondContact CD-O 3.15Å; R152-L208 VanDerWaalsContact NH1-C 3.27Å; R152-L208 PolarHBondContact NH1-O 3.33Å; T168-L208 HydrophobicContact CG2-CB 3.67Å; T168-L208 HydrophobicContact CG2-CD2 4.17Å; V169-L208 PolarHBondContact O-N 3.48Å; L208-N210 WeakPolarHBondContact CD1-O 3.44Å; L208-N210 WeakPolarHBondContact CG-O 3.33Å; L208-D213 HydrophobicContact CD1-CB 3.97Å | ||
| 209 | L | 86.5 | Confident | 89.3 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -86.3 | -53.8 | 175.5 | -67.7 | 157.1 | 0 | 0 | 0 | 108.5 | R152 P171 S172 D213 | R152-L209 PolarHBondContact NH1-O 3.15Å; P171-L209 HydrophobicContact CG-CD2 4.3Å; S172-L209 WeakPolarHBondContact OG-CD2 3.47Å; L209-D213 WeakPolarHBondContact CB-OD2 3.28Å; L209-D213 PolarHBondContact N-OD2 3.43Å; L209-D213 VanDerWaalsContact N-OD2 3.11Å |
| 210 | N | 83.5 | Confident | 90.1 | Very high | 84 Ų | 84 | 62.6 Ų | 62.6 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -113.7 | 148.3 | 175.9 | -50.1 | -75.4 | 0 | 0 | 0 | 110.7 | L208 S212 D213 | L208-N210 WeakPolarHBondContact CD1-O 3.44Å; L208-N210 WeakPolarHBondContact CG-O 3.33Å; N210-S212 PolarHBondContact O-N 2.9Å; N210-D213 WeakPolarHBondContact CB-OD1 3.45Å; N210-D213 PolarHBondContact N-OD2 2.72Å; N210-D213 PolarHBondContact ND2-OD1 3.43Å; N210-D213 WeakPolarHBondContact O-CB 3.21Å; N210-D213 VanDerWaalsContact O-CG 3.3Å; N210-D213 PolarHBondContact O-N 3.02Å |
| 211 | S | 77.8 | Confident | 90.3 | Very high | 104 Ų | 104 | 63.3 Ų | 63.3 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.2 | 177.3 | -50.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 212 | S | 80.1 | Confident | 90.3 | Very high | 109 Ų | 109 | 64.2 Ų | 64.2 | 76% | 0.762 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -6.2 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | N210 | N210-S212 PolarHBondContact O-N 2.9Š|
| 213 | D | 83.2 | Confident | 90.2 | Very high | 55 Ų | 55 | 66.3 Ų | 66.3 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -68.8 | 146 | -178.2 | -61.1 | -17.9 | 0 | 0 | 0 | 110.4 | L208 L209 N210 P215 | L208-D213 HydrophobicContact CD1-CB 3.97Å; L209-D213 WeakPolarHBondContact CB-OD2 3.28Å; L209-D213 PolarHBondContact N-OD2 3.43Å; L209-D213 VanDerWaalsContact N-OD2 3.11Å; N210-D213 WeakPolarHBondContact CB-OD1 3.45Å; N210-D213 PolarHBondContact N-OD2 2.72Å; N210-D213 PolarHBondContact ND2-OD1 3.43Å; N210-D213 WeakPolarHBondContact O-CB 3.21Å; N210-D213 VanDerWaalsContact O-CG 3.3Å; N210-D213 PolarHBondContact O-N 3.02Å; D213-P215 WeakPolarHBondContact O-CD 3.44Å |
| 214 | E | 82.1 | Confident | 90.2 | Very high | 159 Ų | 159 | 68 Ų | 68 | 74% | 0.743 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 122.6 | 174.5 | -171.6 | 175.2 | -161.4 | 0 | 0 | 109.6 | R216 | E214-R216 PolarHBondContact O-N 2.7Š|
| 215 | P | 84.6 | Confident | 89.9 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 122.6 | -174.1 | 25.4 | -32.7 | 0 | 0 | 0 | 111 | D213 Y217 | D213-P215 WeakPolarHBondContact O-CD 3.44Å; P215-Y217 HydrophobicContact CB-CE2 4.01Å; P215-Y217 HydrophobicContact CG-CE2 4.33Å |
| 216 | R | 88.8 | Confident | 89.7 | Confident | 198 Ų | 198 | 71.5 Ų | 71.5 | 75% | 0.747 | 39% | 0.388 | S | S | * | . | trans | -107.4 | 129.6 | 172.3 | -65 | -177 | -179.4 | -176.8 | 0.1 | 110.4 | Q206 E214 | Q206-R216 WeakPolarHBondContact CG-O 3.39Å; E214-R216 PolarHBondContact O-N 2.7Å | ||
| 217 | Y | 94 | Very high | 89.6 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | trans | -109.2 | 115.6 | -177 | -56.9 | -81.1 | 0 | 0 | 0 | 109.9 | I166 P215 P239 | I166-Y217 HydrophobicContact CD1-CD1 4.22Å; I166-Y217 HydrophobicContact CD1-CE1 3.88Å; I166-Y217 HydrophobicContact CG2-CD1 4.06Å; I166-Y217 HydrophobicContact CG2-CE1 4.17Å; P215-Y217 HydrophobicContact CB-CE2 4.01Å; P215-Y217 HydrophobicContact CG-CE2 4.33Å; Y217-P239 HydrophobicContact CD1-CB 3.91Å; Y217-P239 HydrophobicContact CD1-CG 4.42Å; Y217-P239 HydrophobicContact CD2-CG 4.4Å; Y217-P239 HydrophobicContact CE1-CB 4.29Å; Y217-P239 HydrophobicContact CG-CB 4.04Å; Y217-P239 HydrophobicContact CG-CG 4.04Å | ||
| 218 | E | 96.3 | Very high | 89.6 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.6 | 173.2 | -177.3 | -177.3 | 155.6 | 0 | 0 | 109.3 | K183 Y204 Y205 L220 | K183-E218 IonicContact NZ-OE1 2.74Å; K183-E218 PolarHBondContact NZ-OE1 3.37Å; K183-E218 IonicContact NZ-OE2 3.85Å; K183-E218 PolarHBondContact NZ-OE2 2.98Å; Y204-E218 CarbonylContact C-O 3.53Å; Y204-E218 VanDerWaalsContact CA-O 3.31Å; Y204-E218 WeakPolarHBondContact CA-O 3.37Å; Y204-E218 WeakPolarHBondContact CD1-O 3.16Å; Y205-E218 PolarHBondContact N-O 3.45Å; Y205-E218 PolarHBondContact O-N 2.9Å; E218-L220 HydrophobicContact CG-CD2 4.27Å; E218-L220 PolarHBondContact O-N 3.44Å |
| 219 | L | 96.8 | Very high | 89.8 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 37% | 0.372 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 114.5 | 173.3 | 179.6 | 66.8 | 0 | 0 | 0 | 108.7 | Y204 S221 S223 A224 | Y204-L219 HydrophobicContact CD1-CB 4.32Å; Y204-L219 HydrophobicContact CD2-CD1 4.22Å; Y204-L219 HydrophobicContact CE1-CB 3.76Å; Y204-L219 HydrophobicContact CE1-CD1 4.22Å; Y204-L219 HydrophobicContact CE2-CD1 3.72Å; L219-S221 WeakPolarHBondContact CD1-O 3.21Å; L219-S223 WeakPolarHBondContact CD1-O 3.48Å; L219-A224 HydrophobicContact CD2-CB 4.13Å |
| 220 | L | 95.4 | Very high | 90.2 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -40.9 | 175 | -62.5 | -171.2 | 0 | 0 | 0 | 111.9 | K183 V186 V187 I203 E218 | K183-L220 HydrophobicContact CB-CD1 4.1Å; K183-L220 HydrophobicContact CB-CD2 4.07Å; K183-L220 HydrophobicContact CD-CD2 3.87Å; K183-L220 HydrophobicContact CG-CD1 4.15Å; K183-L220 HydrophobicContact CG-CD2 3.88Å; V186-L220 HydrophobicContact CG1-CD1 4.15Å; V187-L220 HydrophobicContact CG2-CB 3.65Å; V187-L220 HydrophobicContact CG2-CD1 4.21Å; I203-L220 HydrophobicContact CG2-CB 4.32Å; I203-L220 HydrophobicContact CG2-CD1 4.34Å; I203-L220 PolarHBondContact O-N 3.41Å; E218-L220 HydrophobicContact CG-CD2 4.27Å; E218-L220 PolarHBondContact O-N 3.44Å |
| 221 | S | 92.2 | Very high | 90.7 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 22% | 0.217 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 157.2 | 178.8 | -165.5 | 0 | 0 | 0 | 0 | 112.6 | L191 I203 L219 | L191-S221 WeakPolarHBondContact CD1-OG 3.41Å; I203-S221 PolarHBondContact N-O 2.79Å; I203-S221 PolarHBondContact O-N 3.48Å; L219-S221 WeakPolarHBondContact CD1-O 3.21Å |
| 222 | G | 91 | Very high | 91.4 | Very high | 53 Ų | 53 | 71 Ų | 71 | 55% | 0.546 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 89 | -152.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S201 | S201-G222 CarbonylContact O-C 3.55Å; S201-G222 VanDerWaalsContact O-CA 3.23Å; S201-G222 WeakPolarHBondContact O-CA 3.28Å |
| 223 | S | 91.6 | Very high | 92.1 | Very high | 43 Ų | 43 | 66.6 Ų | 66.6 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | trans | -80.4 | 148.1 | -179.5 | -178 | 0 | 0 | 0 | 0 | 111.7 | S201 S202 L219 Y225 | S201-S223 PolarHBondContact O-N 2.6Å; S202-S223 WeakPolarHBondContact CB-O 3.22Å; S202-S223 PolarHBondContact OG-O 3.32Å; L219-S223 WeakPolarHBondContact CD1-O 3.48Å; S223-Y225 VanDerWaalsContact CB-O 3.29Å; S223-Y225 WeakPolarHBondContact CB-O 3.24Å; S223-Y225 PolarHBondContact O-N 3.43Å; S223-Y225 PolarHBondContact OG-N 3.49Å; S223-Y225 PolarHBondContact OG-O 3.18Å | ||
| 224 | A | 93.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 69 Ų | 69 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -73.9 | -6.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y204 L219 | Y204-A224 VanDerWaalsContact OH-C 3.23Å; Y204-A224 WeakPolarHBondContact OH-CA 3.21Å; Y204-A224 PolarHBondContact OH-O 3.04Å; L219-A224 HydrophobicContact CD2-CB 4.13Å |
| 225 | Y | 92.5 | Very high | 93.4 | Very high | 89 Ų | 89 | 61.4 Ų | 61.4 | 35% | 0.349 | 31% | 0.306 | S | S | . | . | trans | -157.7 | 162.3 | -177.8 | 45.1 | -100.7 | 0 | 0 | 0 | 110.4 | S223 Y227 C236 I237 | S223-Y225 VanDerWaalsContact CB-O 3.29Å; S223-Y225 WeakPolarHBondContact CB-O 3.24Å; S223-Y225 PolarHBondContact O-N 3.43Å; S223-Y225 PolarHBondContact OG-N 3.49Å; S223-Y225 PolarHBondContact OG-O 3.18Å; Y225-Y227 HydrophobicContact CD2-CD2 4.44Å; Y225-Y227 AromaticContact CD2-CE2 3.73Å; Y225-Y227 HydrophobicContact CD2-CE2 3.73Å; Y225-Y227 AromaticContact CD2-CZ 3.83Å; Y225-Y227 AromaticContact CE2-CE2 3.54Å; Y225-Y227 HydrophobicContact CE2-CE2 3.54Å; Y225-Y227 AromaticContact CE2-CZ 3.52Å; Y225-Y227 WeakPolarHBondContact CE2-OH 3.4Å; Y225-C236 VanDerWaalsContact CB-SG 3.54Å; Y225-I237 WeakPolarHBondContact CB-O 3.28Å | ||
| 226 | V | 92.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 161 | 173.2 | -75.4 | 0 | 0 | 0 | 0 | 109.9 | Y159 L164 I237 | Y159-V226 HydrophobicContact CD2-CB 3.98Å; Y159-V226 HydrophobicContact CD2-CG2 3.39Å; Y159-V226 HydrophobicContact CE2-CB 4.48Å; Y159-V226 HydrophobicContact CE2-CG2 3.43Å; Y159-V226 VanDerWaalsContact CE2-CG2 3.43Å; L164-V226 HydrophobicContact CB-CG1 3.79Å; L164-V226 HydrophobicContact CB-CG2 3.97Å; L164-V226 HydrophobicContact CD1-CG2 4.2Å; V226-I237 HydrophobicContact CG2-CB 4.29Å; V226-I237 PolarHBondContact N-O 3.02Å; V226-I237 PolarHBondContact O-N 2.78Å |
| 227 | Y | 93.6 | Very high | 94.1 | Very high | 57 Ų | 57 | 49.9 Ų | 49.9 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145.3 | 178.1 | -66 | -84.5 | 0 | 0 | 0 | 111.1 | Y159 Y225 R234 F235 C236 | Y159-Y227 VanDerWaalsContact CB-O 3.27Å; Y159-Y227 WeakPolarHBondContact CB-O 3.36Å; Y225-Y227 HydrophobicContact CD2-CD2 4.44Å; Y225-Y227 AromaticContact CD2-CE2 3.73Å; Y225-Y227 HydrophobicContact CD2-CE2 3.73Å; Y225-Y227 AromaticContact CD2-CZ 3.83Å; Y225-Y227 AromaticContact CE2-CE2 3.54Å; Y225-Y227 HydrophobicContact CE2-CE2 3.54Å; Y225-Y227 AromaticContact CE2-CZ 3.52Å; Y225-Y227 WeakPolarHBondContact CE2-OH 3.4Å; Y227-R234 HydrophobicContact CD1-CG 3.94Å; Y227-R234 HydrophobicContact CG-CG 4.42Å; Y227-F235 VanDerWaalsContact CA-O 3.26Å; Y227-F235 WeakPolarHBondContact CA-O 3.39Å; Y227-C236 HydrophobicContact CD1-CB 4.16Å; Y227-C236 HydrophobicContact CE1-CB 3.77Å |
| 228 | E | 94.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 48.6 Ų | 48.6 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.1 | 167.9 | -179.2 | 61.5 | -62.4 | 0 | 0 | 109.3 | Y159 F235 I237 F243 T247 | Y159-E228 HydrophobicContact CD1-CB 3.68Å; Y159-E228 HydrophobicContact CD1-CG 3.75Å; Y159-E228 VanDerWaalsContact CD1-OE2 3.31Å; Y159-E228 WeakPolarHBondContact CD1-OE2 3.47Å; Y159-E228 HydrophobicContact CE1-CB 4.28Å; Y159-E228 HydrophobicContact CE1-CG 4.38Å; Y159-E228 HydrophobicContact CG-CB 3.91Å; Y159-E228 HydrophobicContact CG-CG 4.37Å; E228-F235 PolarHBondContact N-O 2.95Å; E228-F235 PolarHBondContact O-N 3.25Å; E228-I237 HydrophobicContact CB-CD1 3.62Å; E228-F243 HydrophobicContact CB-CE1 4.08Å; E228-F243 HydrophobicContact CG-CE1 3.88Å; E228-T247 HydrophobicContact CG-CG2 4.17Å; E228-T247 PolarHBondContact OE2-OG1 2.89Å |
| 229 | K | 94.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 44.8 Ų | 44.8 | 41% | 0.409 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.2 | 172.5 | -70.4 | -179.2 | -177.1 | 169.2 | 0 | 110.2 | E161 M233 T247 | E161-K229 WeakPolarHBondContact OE1-CE 2.91Å; K229-M233 VanDerWaalsContact CA-O 3.28Å; K229-M233 WeakPolarHBondContact CA-O 3.34Å; K229-T247 WeakPolarHBondContact O-CG2 3.38Å |
| 230 | L | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 114.5 | 172.6 | -174.9 | 73.6 | 0 | 0 | 0 | 107.3 | D232 M233 F235 T247 C250 E251 Y254 A278 | L230-D232 PolarHBondContact O-N 3.45Å; L230-M233 PolarHBondContact N-O 2.8Å; L230-M233 PolarHBondContact O-N 2.93Å; L230-F235 HydrophobicContact CB-CD2 3.98Å; L230-F235 HydrophobicContact CB-CE2 3.81Å; L230-F235 HydrophobicContact CD2-CE2 4.32Å; L230-T247 HydrophobicContact CD1-CG2 3.8Å; L230-T247 WeakPolarHBondContact CD1-O 3.45Å; L230-C250 HydrophobicContact CD1-CB 4.1Å; L230-E251 HydrophobicContact CD1-CG 3.56Å; L230-E251 HydrophobicContact CG-CG 4.35Å; L230-Y254 HydrophobicContact CD2-CD2 3.85Å; L230-Y254 HydrophobicContact CD2-CE2 3.5Å; L230-A278 HydrophobicContact CD2-CB 4.48Å |
| 231 | F | 95.1 | Very high | 93.5 | Very high | 79 Ų | 79 | 41.2 Ų | 41.2 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -128.4 | -161.2 | -56.6 | -72.8 | 0 | 0 | 0 | 111.9 | E251 Y254 C282 | F231-E251 HydrophobicContact CD1-CB 4.26Å; F231-E251 HydrophobicContact CD1-CG 3.98Å; F231-E251 HydrophobicContact CD2-CG 4.33Å; F231-E251 HydrophobicContact CE1-CB 3.64Å; F231-E251 HydrophobicContact CE1-CG 3.87Å; F231-E251 HydrophobicContact CE2-CB 4.31Å; F231-E251 HydrophobicContact CE2-CG 4.23Å; F231-E251 HydrophobicContact CG-CG 4.24Å; F231-E251 HydrophobicContact CZ-CB 3.7Å; F231-E251 HydrophobicContact CZ-CG 4.03Å; F231-E251 VanDerWaalsContact CZ-O 3.24Å; F231-E251 WeakPolarHBondContact CZ-O 3.47Å; F231-E251 PolarHBondContact N-OE1 3.34Å; F231-E251 VanDerWaalsContact N-OE1 3.09Å; F231-Y254 HydrophobicContact CE2-CD2 4.33Å; F231-C282 HydrophobicContact CD2-CB 4.34Å; F231-C282 HydrophobicContact CE2-CB 4.4Å |
| 232 | D | 92.2 | Very high | 93.4 | Very high | 140 Ų | 140 | 45.5 Ų | 45.5 | 75% | 0.749 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 3.3 | 178.5 | 58.8 | -29.8 | 0 | 0 | 0 | 113.5 | L230 | L230-D232 PolarHBondContact O-N 3.45Š|
| 233 | M | 94.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 159.1 | 179.8 | -74.8 | -171.3 | -78.2 | 0 | 0 | 113.7 | K229 L230 F235 L281 C282 N310 I312 | K229-M233 VanDerWaalsContact CA-O 3.28Å; K229-M233 WeakPolarHBondContact CA-O 3.34Å; L230-M233 PolarHBondContact N-O 2.8Å; L230-M233 PolarHBondContact O-N 2.93Å; M233-F235 HydrophobicContact CB-CD2 4.42Å; M233-F235 HydrophobicContact CB-CE2 3.65Å; M233-F235 HydrophobicContact CB-CZ 4.12Å; M233-F235 HydrophobicContact CE-CE2 4.45Å; M233-F235 HydrophobicContact CE-CZ 4.15Å; M233-F235 HydrophobicContact SD-CZ 4.2Å; M233-L281 VanDerWaalsContact CE-C 3.41Å; M233-L281 HydrophobicContact CE-CB 4.38Å; M233-L281 WeakPolarHBondContact CE-O 3.34Å; M233-L281 HydrophobicContact SD-CB 4.01Å; M233-C282 HydrophobicContact CE-CB 3.85Å; M233-C282 VanDerWaalsContact CE-N 3.3Å; M233-C282 WeakPolarHBondContact CE-SG 3.25Å; M233-N310 WeakPolarHBondContact CA-OD1 3.4Å; M233-N310 WeakPolarHBondContact CB-OD1 3.48Å; M233-N310 HydrophobicContact CG-CB 4.36Å; M233-N310 WeakPolarHBondContact CG-OD1 3.38Å; M233-N310 HydrophobicContact SD-CB 4.22Å; M233-I312 HydrophobicContact SD-CD1 3.84Å |
| 234 | R | 94.9 | Very high | 93.5 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122.2 | -178.4 | -169.5 | 174.1 | -179.3 | -120.4 | 1.6 | 110.1 | E161 Y227 N310 | E161-R234 IonicContact OE1-NE 3.14Å; E161-R234 PolarHBondContact OE1-NE 3.16Å; E161-R234 VanDerWaalsContact OE1-NE 3.16Å; E161-R234 IonicContact OE2-CZ 3.94Å; E161-R234 IonicContact OE2-NE 3.8Å; E161-R234 PolarHBondContact OE2-NE 3.44Å; E161-R234 IonicContact OE2-NH2 2.71Å; E161-R234 PolarHBondContact OE2-NH2 3.27Å; Y227-R234 HydrophobicContact CD1-CG 3.94Å; Y227-R234 HydrophobicContact CG-CG 4.42Å; R234-N310 PolarHBondContact N-OD1 2.9Å; R234-N310 PolarHBondContact O-ND2 2.67Å; R234-N310 PolarHBondContact O-OD1 2.8Å |
| 235 | F | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.3 | -176.1 | -68.8 | -87.5 | 0 | 0 | 0 | 110.7 | Y227 E228 L230 M233 F243 A278 L281 N306 | Y227-F235 VanDerWaalsContact CA-O 3.26Å; Y227-F235 WeakPolarHBondContact CA-O 3.39Å; E228-F235 PolarHBondContact N-O 2.95Å; E228-F235 PolarHBondContact O-N 3.25Å; L230-F235 HydrophobicContact CB-CD2 3.98Å; L230-F235 HydrophobicContact CB-CE2 3.81Å; L230-F235 HydrophobicContact CD2-CE2 4.32Å; M233-F235 HydrophobicContact CB-CD2 4.42Å; M233-F235 HydrophobicContact CB-CE2 3.65Å; M233-F235 HydrophobicContact CB-CZ 4.12Å; M233-F235 HydrophobicContact CE-CE2 4.45Å; M233-F235 HydrophobicContact CE-CZ 4.15Å; M233-F235 HydrophobicContact SD-CZ 4.2Å; F235-F243 HydrophobicContact CB-CE2 3.7Å; F235-F243 HydrophobicContact CB-CZ 3.82Å; F235-F243 HydrophobicContact CD1-CE2 4.14Å; F235-F243 HydrophobicContact CD2-CE2 4.34Å; F235-F243 AromaticContact CD2-CZ 4Å; F235-F243 HydrophobicContact CD2-CZ 4Å; F235-F243 AromaticContact CG-CE2 3.78Å; F235-F243 HydrophobicContact CG-CE2 3.78Å; F235-F243 AromaticContact CG-CZ 3.87Å; F235-F243 HydrophobicContact CG-CZ 3.87Å; F235-A278 HydrophobicContact CD1-CB 4.36Å; F235-A278 HydrophobicContact CE1-CB 3.98Å; F235-A278 HydrophobicContact CZ-CB 4.23Å; F235-L281 HydrophobicContact CE1-CB 4.19Å; F235-L281 HydrophobicContact CE1-CD1 3.81Å; F235-L281 HydrophobicContact CZ-CB 4.19Å; F235-N306 HydrophobicContact CD1-CB 4.15Å |
| 236 | C | 94.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 12% | 0.122 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 127.9 | 167.8 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | Y225 Y227 N302 N306 | Y225-C236 VanDerWaalsContact CB-SG 3.54Å; Y227-C236 HydrophobicContact CD1-CB 4.16Å; Y227-C236 HydrophobicContact CE1-CB 3.77Å; C236-N302 PolarHBondContact O-ND2 3.47Å; C236-N302 PolarHBondContact O-OD1 2.95Å; C236-N306 WeakPolarHBondContact CB-OD1 3.33Å; C236-N306 PolarHBondContact N-OD1 3.04Å; C236-N306 PolarHBondContact O-ND2 2.89Å; C236-N306 PolarHBondContact O-OD1 3.06Å |
| 237 | I | 94 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.3 | -175 | -56.5 | 170.8 | 0 | 0 | 0 | 109.5 | R157 Y159 Y225 V226 E228 V241 F243 | R157-I237 VanDerWaalsContact NH1-CG2 3.33Å; Y159-I237 HydrophobicContact CD1-CD1 4.26Å; Y159-I237 HydrophobicContact CD2-CD1 4.22Å; Y159-I237 HydrophobicContact CE1-CD1 3.77Å; Y159-I237 HydrophobicContact CE2-CB 4.4Å; Y159-I237 HydrophobicContact CE2-CD1 3.73Å; Y159-I237 HydrophobicContact CE2-CG2 4.23Å; Y159-I237 HydrophobicContact CG-CD1 4.45Å; Y159-I237 VanDerWaalsContact CZ-CD1 3.48Å; Y225-I237 WeakPolarHBondContact CB-O 3.28Å; V226-I237 HydrophobicContact CG2-CB 4.29Å; V226-I237 PolarHBondContact N-O 3.02Å; V226-I237 PolarHBondContact O-N 2.78Å; E228-I237 HydrophobicContact CB-CD1 3.62Å; I237-V241 HydrophobicContact CG2-CG2 4.32Å; I237-F243 HydrophobicContact CD1-CB 3.9Å; I237-F243 HydrophobicContact CD1-CD1 3.5Å; I237-F243 VanDerWaalsContact CD1-CD1 3.5Å; I237-F243 HydrophobicContact CD1-CD2 3.97Å; I237-F243 HydrophobicContact CD1-CE1 3.95Å; I237-F243 HydrophobicContact CD1-CE2 4.38Å; I237-F243 HydrophobicContact CD1-CG 3.5Å; I237-F243 HydrophobicContact CD1-CZ 4.37Å; I237-F243 HydrophobicContact CG1-CB 4.26Å; I237-F243 HydrophobicContact CG1-CD1 4.42Å; I237-F243 HydrophobicContact CG1-CD2 4.01Å; I237-F243 HydrophobicContact CG1-CE2 4.47Å; I237-F243 HydrophobicContact CG1-CG 3.98Å; I237-F243 HydrophobicContact CG2-CB 4.17Å |
| 238 | L | 93.9 | Very high | 93.7 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | trans | -82.2 | 157.9 | 174.3 | -64.6 | 169.6 | 0 | 0 | 0 | 111.7 | R157 S240 V241 N302 | R157-L238 PolarHBondContact NH1-O 2.69Å; L238-S240 PolarHBondContact O-N 3.12Å; L238-V241 HydrophobicContact CB-CG1 4.18Å; L238-V241 HydrophobicContact CB-CG2 3.84Å; L238-V241 HydrophobicContact CD1-CG1 4.28Å; L238-V241 WeakPolarHBondContact O-CG2 3.32Å; L238-V241 PolarHBondContact O-N 3.05Å; L238-N302 HydrophobicContact CD1-CB 4.05Å | ||
| 239 | P | 93 | Very high | 93.8 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 5% | 0.045 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -61.9 | -29.9 | 176.2 | 26.4 | -37.5 | 0 | 0 | 0 | 113.4 | R157 L164 I166 Y204 Y217 | R157-P239 PolarHBondContact NH2-O 2.83Å; L164-P239 HydrophobicContact CD1-CB 4.4Å; L164-P239 HydrophobicContact CD2-CB 4.43Å; I166-P239 HydrophobicContact CD1-CB 3.98Å; I166-P239 HydrophobicContact CG1-CB 4.43Å; Y204-P239 HydrophobicContact CD1-CG 4.25Å; Y204-P239 HydrophobicContact CD2-CB 4.3Å; Y204-P239 HydrophobicContact CD2-CG 4.48Å; Y204-P239 HydrophobicContact CE1-CB 4.47Å; Y204-P239 HydrophobicContact CE1-CG 3.79Å; Y204-P239 HydrophobicContact CE2-CB 4.28Å; Y204-P239 HydrophobicContact CE2-CG 4.04Å; Y204-P239 HydrophobicContact CG-CB 4.41Å; Y217-P239 HydrophobicContact CD1-CB 3.91Å; Y217-P239 HydrophobicContact CD1-CG 4.42Å; Y217-P239 HydrophobicContact CD2-CG 4.4Å; Y217-P239 HydrophobicContact CE1-CB 4.29Å; Y217-P239 HydrophobicContact CG-CB 4.04Å; Y217-P239 HydrophobicContact CG-CG 4.04Å |
| 240 | S | 91.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 39 Ų | 39 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -86.3 | -22 | -175.6 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | L238 E298 | L238-S240 PolarHBondContact O-N 3.12Å; S240-E298 WeakPolarHBondContact CB-OE2 3.38Å; S240-E298 PolarHBondContact OG-OE2 3.41Å |
| 241 | V | 92 | Very high | 94 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -93 | 153 | -176 | -56.2 | 0 | 0 | 0 | 0 | 112 | R157 I237 L238 T276 E298 A299 N302 | R157-V241 PolarHBondContact NH1-O 2.91Å; R157-V241 PolarHBondContact NH2-O 2.99Å; I237-V241 HydrophobicContact CG2-CG2 4.32Å; L238-V241 HydrophobicContact CB-CG1 4.18Å; L238-V241 HydrophobicContact CB-CG2 3.84Å; L238-V241 HydrophobicContact CD1-CG1 4.28Å; L238-V241 WeakPolarHBondContact O-CG2 3.32Å; L238-V241 PolarHBondContact O-N 3.05Å; V241-T276 HydrophobicContact CB-CG2 3.69Å; V241-T276 HydrophobicContact CG1-CG2 4.33Å; V241-T276 HydrophobicContact CG2-CG2 3.57Å; V241-E298 HydrophobicContact CG1-CB 4.33Å; V241-A299 HydrophobicContact CG1-CB 4.26Å; V241-N302 HydrophobicContact CG1-CB 4.45Å |
| 242 | F | 89.9 | Confident | 94.1 | Very high | 121 Ų | 121 | 38.6 Ų | 38.6 | 53% | 0.531 | 20% | 0.197 | S | C | . | . | trans | -82.4 | 144.1 | 174.2 | 174.9 | -96.6 | 0 | 0 | 0 | 111.2 | ||||
| 243 | F | 92.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | trans | -142.8 | 158.3 | 167.8 | -158 | -102 | 0 | 0 | 0 | 109.4 | Y159 E228 F235 I237 V245 A278 | Y159-F243 HydrophobicContact CE1-CD1 4.4Å; E228-F243 HydrophobicContact CB-CE1 4.08Å; E228-F243 HydrophobicContact CG-CE1 3.88Å; F235-F243 HydrophobicContact CB-CE2 3.7Å; F235-F243 HydrophobicContact CB-CZ 3.82Å; F235-F243 HydrophobicContact CD1-CE2 4.14Å; F235-F243 HydrophobicContact CD2-CE2 4.34Å; F235-F243 AromaticContact CD2-CZ 4Å; F235-F243 HydrophobicContact CD2-CZ 4Å; F235-F243 AromaticContact CG-CE2 3.78Å; F235-F243 HydrophobicContact CG-CE2 3.78Å; F235-F243 AromaticContact CG-CZ 3.87Å; F235-F243 HydrophobicContact CG-CZ 3.87Å; I237-F243 HydrophobicContact CD1-CB 3.9Å; I237-F243 HydrophobicContact CD1-CD1 3.5Å; I237-F243 VanDerWaalsContact CD1-CD1 3.5Å; I237-F243 HydrophobicContact CD1-CD2 3.97Å; I237-F243 HydrophobicContact CD1-CE1 3.95Å; I237-F243 HydrophobicContact CD1-CE2 4.38Å; I237-F243 HydrophobicContact CD1-CG 3.5Å; I237-F243 HydrophobicContact CD1-CZ 4.37Å; I237-F243 HydrophobicContact CG1-CB 4.26Å; I237-F243 HydrophobicContact CG1-CD1 4.42Å; I237-F243 HydrophobicContact CG1-CD2 4.01Å; I237-F243 HydrophobicContact CG1-CE2 4.47Å; I237-F243 HydrophobicContact CG1-CG 3.98Å; I237-F243 HydrophobicContact CG2-CB 4.17Å; F243-V245 PolarHBondContact O-N 3.1Å; F243-A278 HydrophobicContact CE2-CB 3.97Å | ||
| 244 | Q | 91.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 28% | 0.276 | 18% | 0.175 | S | C | . | . | trans | -64.6 | 130.7 | -173.9 | -68.1 | -68.2 | -14.9 | 0 | 0 | 111.7 | N82 N246 C250 | N82-Q244 PolarHBondContact ND2-O 2.87Å; N82-Q244 PolarHBondContact OD1-O 3.41Å; Q244-N246 VanDerWaalsContact C-N 3.27Å; Q244-N246 PolarHBondContact O-N 3.35Å; Q244-C250 HydrophobicContact CB-CB 3.89Å; Q244-C250 HydrophobicContact CG-CB 4.11Å; Q244-C250 VanDerWaalsContact CG-SG 3.57Å | ||
| 245 | V | 92.9 | Very high | 94.5 | Very high | 33 Ų | 33 | 31.5 Ų | 31.5 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -79.3 | -10.1 | -172.1 | -55.5 | 0 | 0 | 0 | 0 | 114.1 | R81 N82 K83 F243 | R81-V245 CarbonylContact C-O 3.5Å; R81-V245 VanDerWaalsContact CA-O 3.28Å; R81-V245 WeakPolarHBondContact CA-O 3.15Å; R81-V245 HydrophobicContact CG-CB 4.44Å; N82-V245 PolarHBondContact N-O 3.25Å; N82-V245 WeakPolarHBondContact OD1-CA 3.4Å; N82-V245 PolarHBondContact OD1-O 3.11Å; K83-V245 HydrophobicContact CB-CG1 4.04Å; F243-V245 PolarHBondContact O-N 3.1Å |
| 246 | N | 94.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 16% | 0.155 | 18% | 0.176 | C | C | . | . | trans | -134.5 | 94.6 | 176 | 179.1 | -2.6 | 0 | 0 | 0 | 107.9 | S74 Y80 Q244 K248 G249 C250 | S74-N246 PolarHBondContact OG-ND2 3.21Å; Y80-N246 HydrophobicContact CD2-CB 3.8Å; Q244-N246 VanDerWaalsContact C-N 3.27Å; Q244-N246 PolarHBondContact O-N 3.35Å; N246-K248 VanDerWaalsContact C-N 3.32Å; N246-K248 PolarHBondContact O-N 3.08Å; N246-K248 PolarHBondContact OD1-N 3.48Å; N246-G249 PolarHBondContact O-N 3.38Å; N246-G249 PolarHBondContact OD1-N 2.93Å; N246-C250 WeakPolarHBondContact O-CB 3.35Å; N246-C250 PolarHBondContact O-N 3.42Å | ||
| 247 | T | 95.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 10% | 0.098 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.6 | -46.5 | -177.3 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | N82 E228 K229 L230 C250 E251 | N82-T247 PolarHBondContact ND2-OG1 3.21Å; N82-T247 VanDerWaalsContact ND2-OG1 3.12Å; E228-T247 HydrophobicContact CG-CG2 4.17Å; E228-T247 PolarHBondContact OE2-OG1 2.89Å; K229-T247 WeakPolarHBondContact O-CG2 3.38Å; L230-T247 HydrophobicContact CD1-CG2 3.8Å; L230-T247 WeakPolarHBondContact CD1-O 3.45Å; T247-C250 WeakPolarHBondContact O-CB 3.32Å; T247-C250 PolarHBondContact O-N 2.73Å; T247-E251 PolarHBondContact O-N 3.44Å |
| 248 | K | 95.9 | Very high | 94.5 | Very high | 90 Ų | 90 | 32.9 Ų | 32.9 | 39% | 0.391 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -74 | -34.6 | -177.1 | -63.1 | -55.5 | 179.5 | -172 | 0 | 114.1 | P75 K76 N246 C250 E251 V252 | P75-K248 HydrophobicContact CG-CB 3.75Å; K76-K248 HydrophobicContact CB-CB 4.31Å; N246-K248 VanDerWaalsContact C-N 3.32Å; N246-K248 PolarHBondContact O-N 3.08Å; N246-K248 PolarHBondContact OD1-N 3.48Å; K248-C250 VanDerWaalsContact C-N 3.3Å; K248-E251 WeakPolarHBondContact CD-OE2 3.42Å; K248-E251 IonicContact NZ-OE1 3.27Å; K248-E251 PolarHBondContact NZ-OE1 3.36Å; K248-E251 IonicContact NZ-OE2 3.03Å; K248-E251 PolarHBondContact NZ-OE2 3.22Å; K248-E251 PolarHBondContact O-N 3.04Å; K248-V252 PolarHBondContact O-N 3.31Å |
| 249 | G | 95.9 | Very high | 94.4 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -34.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N246 V252 L253 | N246-G249 PolarHBondContact O-N 3.38Å; N246-G249 PolarHBondContact OD1-N 2.93Å; G249-V252 PolarHBondContact O-N 3.07Å; G249-L253 PolarHBondContact O-N 2.81Å; G249-L253 VanDerWaalsContact O-N 3.12Å |
| 250 | C | 95.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 175.4 | -178 | 0 | 0 | 0 | 0 | 112.5 | L230 Q244 N246 T247 K248 V252 L253 Y254 | L230-C250 HydrophobicContact CD1-CB 4.1Å; Q244-C250 HydrophobicContact CB-CB 3.89Å; Q244-C250 HydrophobicContact CG-CB 4.11Å; Q244-C250 VanDerWaalsContact CG-SG 3.57Å; N246-C250 WeakPolarHBondContact O-CB 3.35Å; N246-C250 PolarHBondContact O-N 3.42Å; T247-C250 WeakPolarHBondContact O-CB 3.32Å; T247-C250 PolarHBondContact O-N 2.73Å; K248-C250 VanDerWaalsContact C-N 3.3Å; C250-V252 VanDerWaalsContact C-N 3.32Å; C250-V252 PolarHBondContact O-N 3.26Å; C250-L253 PolarHBondContact O-N 2.75Å; C250-Y254 PolarHBondContact O-N 2.85Å; C250-Y254 VanDerWaalsContact SG-CE1 3.52Å; C250-Y254 VanDerWaalsContact SG-CE2 3.57Å |
| 251 | E | 98 | Very high | 93.9 | Very high | 30 Ų | 30 | 37 Ų | 37 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 174.6 | -70.3 | 173.6 | 170.7 | 0 | 0 | 110.6 | L230 F231 T247 K248 L253 Y254 S255 | L230-E251 HydrophobicContact CD1-CG 3.56Å; L230-E251 HydrophobicContact CG-CG 4.35Å; F231-E251 HydrophobicContact CD1-CB 4.26Å; F231-E251 HydrophobicContact CD1-CG 3.98Å; F231-E251 HydrophobicContact CD2-CG 4.33Å; F231-E251 HydrophobicContact CE1-CB 3.64Å; F231-E251 HydrophobicContact CE1-CG 3.87Å; F231-E251 HydrophobicContact CE2-CB 4.31Å; F231-E251 HydrophobicContact CE2-CG 4.23Å; F231-E251 HydrophobicContact CG-CG 4.24Å; F231-E251 HydrophobicContact CZ-CB 3.7Å; F231-E251 HydrophobicContact CZ-CG 4.03Å; F231-E251 VanDerWaalsContact CZ-O 3.24Å; F231-E251 WeakPolarHBondContact CZ-O 3.47Å; F231-E251 PolarHBondContact N-OE1 3.34Å; F231-E251 VanDerWaalsContact N-OE1 3.09Å; T247-E251 PolarHBondContact O-N 3.44Å; K248-E251 WeakPolarHBondContact CD-OE2 3.42Å; K248-E251 IonicContact NZ-OE1 3.27Å; K248-E251 PolarHBondContact NZ-OE1 3.36Å; K248-E251 IonicContact NZ-OE2 3.03Å; K248-E251 PolarHBondContact NZ-OE2 3.22Å; K248-E251 PolarHBondContact O-N 3.04Å; E251-L253 VanDerWaalsContact C-N 3.35Å; E251-L253 PolarHBondContact O-N 3.42Å; E251-Y254 PolarHBondContact O-N 3.25Å; E251-S255 PolarHBondContact O-N 2.85Å; E251-S255 PolarHBondContact O-OG 2.86Å |
| 252 | V | 98 | Very high | 93.5 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 24% | 0.242 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 176.7 | 177 | 0 | 0 | 0 | 0 | 112 | R72 K248 G249 C250 S255 A256 | R72-V252 HydrophobicContact CB-CG1 3.46Å; R72-V252 VanDerWaalsContact CB-CG1 3.46Å; K248-V252 PolarHBondContact O-N 3.31Å; G249-V252 PolarHBondContact O-N 3.07Å; C250-V252 VanDerWaalsContact C-N 3.32Å; C250-V252 PolarHBondContact O-N 3.26Å; V252-S255 PolarHBondContact O-N 3.49Å; V252-A256 PolarHBondContact O-N 2.84Å; V252-A256 VanDerWaalsContact O-N 3.09Å |
| 253 | L | 96.1 | Very high | 92.7 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 33% | 0.33 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -48 | 176.8 | 174 | 63.3 | 0 | 0 | 0 | 111.4 | G249 C250 E251 S255 A256 V257 I371 | G249-L253 PolarHBondContact O-N 2.81Å; G249-L253 VanDerWaalsContact O-N 3.12Å; C250-L253 PolarHBondContact O-N 2.75Å; E251-L253 VanDerWaalsContact C-N 3.35Å; E251-L253 PolarHBondContact O-N 3.42Å; L253-S255 VanDerWaalsContact C-N 3.34Å; L253-S255 PolarHBondContact O-N 3.08Å; L253-A256 WeakPolarHBondContact O-CB 3.23Å; L253-A256 PolarHBondContact O-N 3.32Å; L253-V257 HydrophobicContact CD1-CG2 4.35Å; L253-V257 WeakPolarHBondContact O-CG2 3.44Å; L253-V257 PolarHBondContact O-N 2.81Å; L253-I371 HydrophobicContact CD1-CG2 4.35Å; L253-I371 HydrophobicContact CD2-CG2 4.08Å |
| 254 | Y | 97.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.2 | -34.8 | -176.8 | -73.1 | 6 | 0 | 0 | 0 | 111.8 | L230 F231 C250 E251 V257 E258 A278 L279 C282 | L230-Y254 HydrophobicContact CD2-CD2 3.85Å; L230-Y254 HydrophobicContact CD2-CE2 3.5Å; F231-Y254 HydrophobicContact CE2-CD2 4.33Å; C250-Y254 PolarHBondContact O-N 2.85Å; C250-Y254 VanDerWaalsContact SG-CE1 3.52Å; C250-Y254 VanDerWaalsContact SG-CE2 3.57Å; E251-Y254 PolarHBondContact O-N 3.25Å; Y254-V257 PolarHBondContact O-N 2.71Å; Y254-E258 WeakPolarHBondContact O-CB 3.47Å; Y254-E258 PolarHBondContact O-N 2.77Å; Y254-A278 HydrophobicContact CE2-CB 4.23Å; Y254-L279 HydrophobicContact CD1-CD1 3.97Å; Y254-L279 HydrophobicContact CD1-CG 4.25Å; Y254-L279 HydrophobicContact CE1-CB 3.94Å; Y254-L279 HydrophobicContact CE1-CD1 3.73Å; Y254-L279 HydrophobicContact CE1-CG 4.07Å; Y254-L279 HydrophobicContact CE2-CB 4.03Å; Y254-C282 HydrophobicContact CD2-CB 3.85Å; Y254-C282 HydrophobicContact CE2-CB 4.44Å |
| 255 | S | 97.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.2 | -41.9 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | E251 V252 L253 V257 E258 E259 | E251-S255 PolarHBondContact O-N 2.85Å; E251-S255 PolarHBondContact O-OG 2.86Å; V252-S255 PolarHBondContact O-N 3.49Å; L253-S255 VanDerWaalsContact C-N 3.34Å; L253-S255 PolarHBondContact O-N 3.08Å; S255-V257 PolarHBondContact O-N 3.42Å; S255-E258 WeakPolarHBondContact O-CB 3.49Å; S255-E258 PolarHBondContact O-N 3.15Å; S255-E259 WeakPolarHBondContact O-CG 3.46Å; S255-E259 PolarHBondContact O-N 3.04Å |
| 256 | A | 95 | Very high | 91.6 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V252 L253 E259 L260 | V252-A256 PolarHBondContact O-N 2.84Å; V252-A256 VanDerWaalsContact O-N 3.09Å; L253-A256 WeakPolarHBondContact O-CB 3.23Å; L253-A256 PolarHBondContact O-N 3.32Å; A256-E259 PolarHBondContact O-N 3.18Å; A256-L260 WeakPolarHBondContact O-CG 3.32Å; A256-L260 PolarHBondContact O-N 3.19Å |
| 257 | V | 94.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.1 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | L253 Y254 S255 E259 L260 C261 L279 L283 V343 V369 I371 | L253-V257 HydrophobicContact CD1-CG2 4.35Å; L253-V257 WeakPolarHBondContact O-CG2 3.44Å; L253-V257 PolarHBondContact O-N 2.81Å; Y254-V257 PolarHBondContact O-N 2.71Å; S255-V257 PolarHBondContact O-N 3.42Å; V257-E259 VanDerWaalsContact C-N 3.33Å; V257-E259 PolarHBondContact O-N 3.5Å; V257-L260 PolarHBondContact O-N 3.09Å; V257-C261 WeakPolarHBondContact O-CB 3.42Å; V257-C261 PolarHBondContact O-N 3.3Å; V257-C261 PolarHBondContact O-SG 3.27Å; V257-L279 HydrophobicContact CG1-CD1 4.44Å; V257-L283 HydrophobicContact CG1-CD2 3.94Å; V257-V343 HydrophobicContact CG1-CG1 4.03Å; V257-V343 HydrophobicContact CG1-CG2 3.82Å; V257-V369 HydrophobicContact CG1-CG1 4.33Å; V257-V369 HydrophobicContact CG2-CG1 4.34Å; V257-I371 HydrophobicContact CG2-CD1 3.56Å; V257-I371 HydrophobicContact CG2-CG1 4.33Å |
| 258 | E | 95.2 | Very high | 91.5 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 176.6 | -169.7 | -170.7 | 164.5 | 0 | 0 | 111.4 | Y254 S255 C261 K262 L283 N286 | Y254-E258 WeakPolarHBondContact O-CB 3.47Å; Y254-E258 PolarHBondContact O-N 2.77Å; S255-E258 WeakPolarHBondContact O-CB 3.49Å; S255-E258 PolarHBondContact O-N 3.15Å; E258-C261 PolarHBondContact O-N 2.99Å; E258-K262 VanDerWaalsContact CD-NZ 3.35Å; E258-K262 HydrophobicContact CG-CD 4.37Å; E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 VanDerWaalsContact O-CG 3.23Å; E258-K262 WeakPolarHBondContact O-CG 3.22Å; E258-K262 PolarHBondContact O-N 2.75Å; E258-K262 WeakPolarHBondContact OE1-CE 3.34Å; E258-K262 IonicContact OE1-NZ 3.11Å; E258-K262 PolarHBondContact OE1-NZ 3.01Å; E258-L283 HydrophobicContact CB-CD1 4.4Å; E258-L283 HydrophobicContact CB-CD2 4.48Å; E258-L283 HydrophobicContact CB-CG 4.25Å; E258-L283 HydrophobicContact CG-CG 4.39Å; E258-N286 VanDerWaalsContact CD-ND2 3.29Å; E258-N286 VanDerWaalsContact CG-ND2 3.34Å; E258-N286 WeakPolarHBondContact CG-ND2 3.34Å; E258-N286 PolarHBondContact OE1-ND2 3.12Å |
| 259 | E | 91.3 | Very high | 91.5 | Very high | 97 Ų | 97 | 41.5 Ų | 41.5 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.3 | -73.5 | 167.3 | -150.7 | 0 | 0 | 112.6 | R72 S255 A256 V257 C261 K262 | R72-E259 IonicContact CZ-OE2 3.88Å; R72-E259 IonicContact NH1-OE1 2.69Å; R72-E259 PolarHBondContact NH1-OE1 2.7Å; R72-E259 VanDerWaalsContact NH1-OE1 3.12Å; R72-E259 IonicContact NH1-OE2 3.59Å; R72-E259 PolarHBondContact NH1-OE2 2.73Å; R72-E259 IonicContact NH2-OE2 3.78Å; R72-E259 PolarHBondContact NH2-OE2 3.45Å; S255-E259 WeakPolarHBondContact O-CG 3.46Å; S255-E259 PolarHBondContact O-N 3.04Å; A256-E259 PolarHBondContact O-N 3.18Å; V257-E259 VanDerWaalsContact C-N 3.33Å; V257-E259 PolarHBondContact O-N 3.5Å; E259-C261 PolarHBondContact O-N 2.99Å; E259-K262 PolarHBondContact O-N 3.36Å |
| 260 | L | 86.6 | Confident | 91.5 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61 | -46.8 | 177.6 | -71.8 | 171.7 | 0 | 0 | 0 | 111.1 | A256 V257 S263 F367 V369 | A256-L260 WeakPolarHBondContact O-CG 3.32Å; A256-L260 PolarHBondContact O-N 3.19Å; V257-L260 PolarHBondContact O-N 3.09Å; L260-S263 PolarHBondContact O-OG 2.88Å; L260-F367 HydrophobicContact CB-CE1 4.49Å; L260-V369 HydrophobicContact CB-CG2 4.32Å; L260-V369 HydrophobicContact CD1-CG1 4.39Å |
| 261 | C | 88 | Confident | 91.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73 | -28.1 | -177.2 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | V257 E258 E259 S263 T264 Y287 V341 | V257-C261 WeakPolarHBondContact O-CB 3.42Å; V257-C261 PolarHBondContact O-N 3.3Å; V257-C261 PolarHBondContact O-SG 3.27Å; E258-C261 PolarHBondContact O-N 2.99Å; E259-C261 PolarHBondContact O-N 2.99Å; C261-S263 PolarHBondContact O-N 2.95Å; C261-T264 WeakPolarHBondContact O-CB 3.02Å; C261-T264 WeakPolarHBondContact O-CG2 3.08Å; C261-T264 PolarHBondContact O-N 3.28Å; C261-T264 PolarHBondContact O-OG1 3.12Å; C261-Y287 WeakPolarHBondContact CB-OH 2.93Å; C261-V341 HydrophobicContact CB-CG1 4.35Å; C261-V341 HydrophobicContact CB-CG2 4.19Å |
| 262 | K | 81.9 | Confident | 91.3 | Very high | 116 Ų | 116 | 39.2 Ų | 39.2 | 50% | 0.504 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54 | -36.5 | 178.2 | -90.8 | 169 | 179 | 161.2 | 0 | 112.9 | E258 E259 T264 K265 | E258-K262 VanDerWaalsContact CD-NZ 3.35Å; E258-K262 HydrophobicContact CG-CD 4.37Å; E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 VanDerWaalsContact O-CG 3.23Å; E258-K262 WeakPolarHBondContact O-CG 3.22Å; E258-K262 PolarHBondContact O-N 2.75Å; E258-K262 WeakPolarHBondContact OE1-CE 3.34Å; E258-K262 IonicContact OE1-NZ 3.11Å; E258-K262 PolarHBondContact OE1-NZ 3.01Å; E259-K262 PolarHBondContact O-N 3.36Å; K262-T264 PolarHBondContact O-N 2.85Å; K262-K265 PolarHBondContact O-N 3.3Å |
| 263 | S | 74.6 | Confident | 91.1 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 59% | 0.587 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.1 | 179.1 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | L260 C261 | L260-S263 PolarHBondContact O-OG 2.88Å; C261-S263 PolarHBondContact O-N 2.95Å |
| 264 | T | 78.6 | Confident | 91 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23.1 | -172.8 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | C261 K262 A266 K339 V341 F367 | C261-T264 WeakPolarHBondContact O-CB 3.02Å; C261-T264 WeakPolarHBondContact O-CG2 3.08Å; C261-T264 PolarHBondContact O-N 3.28Å; C261-T264 PolarHBondContact O-OG1 3.12Å; K262-T264 PolarHBondContact O-N 2.85Å; T264-A266 PolarHBondContact O-N 2.72Å; T264-A266 VanDerWaalsContact O-N 3.15Å; T264-A266 WeakPolarHBondContact OG1-CB 3.37Å; T264-A266 PolarHBondContact OG1-N 3.3Å; T264-K339 WeakPolarHBondContact O-CD 3.32Å; T264-K339 WeakPolarHBondContact O-CE 3.35Å; T264-K339 PolarHBondContact O-NZ 2.88Å; T264-V341 HydrophobicContact CG2-CG2 4.2Å; T264-F367 HydrophobicContact CG2-CB 3.59Å; T264-F367 HydrophobicContact CG2-CD1 3.64Å; T264-F367 HydrophobicContact CG2-CD2 4Å; T264-F367 HydrophobicContact CG2-CE1 4.27Å; T264-F367 HydrophobicContact CG2-CG 3.48Å; T264-F367 VanDerWaalsContact CG2-CG 3.48Å |
| 265 | K | 85 | Confident | 90.8 | Very high | 186 Ų | 186 | 37.2 Ų | 37.2 | 81% | 0.809 | 20% | 0.197 | S | C | * | . | trans | 48.9 | 33.1 | -169.4 | -55.5 | -179.6 | -178.8 | 178 | 0 | 112.7 | K262 | K262-K265 PolarHBondContact O-N 3.3Š| ||
| 266 | A | 89.1 | Confident | 90.7 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | trans | -68.6 | 143.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T264 Y287 K339 V341 | T264-A266 PolarHBondContact O-N 2.72Å; T264-A266 VanDerWaalsContact O-N 3.15Å; T264-A266 WeakPolarHBondContact OG1-CB 3.37Å; T264-A266 PolarHBondContact OG1-N 3.3Å; A266-Y287 HydrophobicContact CB-CE1 4.31Å; A266-Y287 WeakPolarHBondContact O-CD1 3.44Å; A266-K339 HydrophobicContact CB-CG 4.29Å; A266-K339 WeakPolarHBondContact CB-O 3.31Å; A266-V341 HydrophobicContact CB-CB 3.88Å; A266-V341 HydrophobicContact CB-CG1 3.83Å | ||
| 267 | D | 92.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -82.2 | -28.2 | 176.2 | -70.7 | -61.5 | 0 | 0 | 0 | 111.7 | K288 H289 K339 | D267-K288 HydrophobicContact CB-CD 4.1Å; D267-K288 WeakPolarHBondContact O-CB 3.33Å; D267-K288 PolarHBondContact O-N 2.96Å; D267-K288 WeakPolarHBondContact OD1-CD 3.1Å; D267-K288 WeakPolarHBondContact OD1-CE 3.44Å; D267-K288 IonicContact OD1-NZ 3.49Å; D267-K288 PolarHBondContact OD1-NZ 3.44Å; D267-K288 IonicContact OD2-NZ 2.84Å; D267-H289 PolarHBondContact O-N 2.84Å; D267-K339 PolarHBondContact N-O 2.85Å |
| 268 | V | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134 | -173.8 | 179.7 | 0 | 0 | 0 | 0 | 111 | L270 H289 I291 V335 K339 C340 V341 | V268-L270 HydrophobicContact CG1-CD2 4.02Å; V268-H289 WeakPolarHBondContact CA-O 3.14Å; V268-H289 HydrophobicContact CG2-CB 4.19Å; V268-I291 HydrophobicContact CG1-CG1 4.4Å; V268-V335 HydrophobicContact CG1-CG1 4.23Å; V268-V335 HydrophobicContact CG1-CG2 4.2Å; V268-K339 PolarHBondContact N-O 2.83Å; V268-C340 WeakPolarHBondContact O-CA 3.31Å; V268-V341 PolarHBondContact O-N 3.08Å |
| 269 | L | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.4 | 170.5 | 174.4 | 64.5 | 0 | 0 | 0 | 110.1 | L283 Y287 H289 V290 I291 V341 V343 | L269-L283 HydrophobicContact CD2-CB 3.76Å; L269-L283 HydrophobicContact CD2-CD2 4.27Å; L269-Y287 HydrophobicContact CB-CD1 3.93Å; L269-Y287 HydrophobicContact CB-CD2 3.7Å; L269-Y287 HydrophobicContact CB-CE1 4.11Å; L269-Y287 HydrophobicContact CB-CE2 3.92Å; L269-Y287 HydrophobicContact CB-CG 3.71Å; L269-Y287 HydrophobicContact CD1-CE2 4.49Å; L269-Y287 HydrophobicContact CD2-CD2 4.05Å; L269-Y287 HydrophobicContact CD2-CE2 3.91Å; L269-Y287 HydrophobicContact CG-CD2 4.46Å; L269-Y287 HydrophobicContact CG-CE2 4.33Å; L269-H289 PolarHBondContact N-O 3.36Å; L269-H289 VanDerWaalsContact N-O 3.08Å; L269-V290 HydrophobicContact CB-CG1 4.44Å; L269-V290 HydrophobicContact CB-CG2 4.32Å; L269-V290 HydrophobicContact CD2-CG1 4.25Å; L269-V290 HydrophobicContact CD2-CG2 4.48Å; L269-V290 HydrophobicContact CG-CG1 4.39Å; L269-V290 CarbonylContact O-C 3.58Å; L269-V290 WeakPolarHBondContact O-CA 3.43Å; L269-I291 PolarHBondContact O-N 2.98Å; L269-V341 HydrophobicContact CD1-CG1 3.9Å; L269-V343 HydrophobicContact CD1-CB 4.44Å; L269-V343 HydrophobicContact CD1-CG2 3.65Å |
| 270 | L | 95.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 104.9 | 168.1 | -52 | -178.8 | 0 | 0 | 0 | 108.8 | V268 I272 I291 V329 C340 V341 A342 V343 V365 | V268-L270 HydrophobicContact CG1-CD2 4.02Å; L270-I272 HydrophobicContact CB-CD1 4.35Å; L270-I272 HydrophobicContact CB-CG1 4.23Å; L270-I291 CarbonylContact C-O 3.48Å; L270-I291 HydrophobicContact CD2-CB 3.8Å; L270-I291 HydrophobicContact CD2-CG1 3.91Å; L270-V329 HydrophobicContact CD2-CG1 4.42Å; L270-C340 HydrophobicContact CD1-CB 4.3Å; L270-C340 HydrophobicContact CG-CB 4.34Å; L270-V341 PolarHBondContact N-O 3.3Å; L270-A342 HydrophobicContact CB-CB 4.2Å; L270-A342 WeakPolarHBondContact O-CA 3.23Å; L270-V343 PolarHBondContact O-N 3.12Å; L270-V365 HydrophobicContact CD1-CG2 3.51Å |
| 271 | D | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 99.2 | 174.4 | -174 | 7.9 | 0 | 0 | 0 | 109 | C274 G280 I291 G292 I293 | D271-C274 HydrophobicContact CB-CB 4.06Å; D271-C274 VanDerWaalsContact CG-CB 3.41Å; D271-C274 WeakPolarHBondContact O-CB 3.34Å; D271-C274 WeakPolarHBondContact OD2-CB 3.39Å; D271-G280 WeakPolarHBondContact OD2-CA 3.28Å; D271-G280 PolarHBondContact OD2-N 3.33Å; D271-I291 PolarHBondContact N-O 2.84Å; D271-G292 WeakPolarHBondContact O-CA 3.23Å; D271-I293 PolarHBondContact O-N 3.08Å |
| 272 | I | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128 | -170.1 | -55.9 | 171 | 0 | 0 | 0 | 109.4 | L270 L322 A342 V343 L344 T345 L359 | L270-I272 HydrophobicContact CB-CD1 4.35Å; L270-I272 HydrophobicContact CB-CG1 4.23Å; I272-L322 HydrophobicContact CD1-CD1 4.08Å; I272-L322 HydrophobicContact CD1-CD2 4.13Å; I272-L322 HydrophobicContact CG1-CD1 4.19Å; I272-L322 HydrophobicContact CG2-CD1 3.84Å; I272-L322 HydrophobicContact CG2-CD2 3.76Å; I272-L322 HydrophobicContact CG2-CG 4.22Å; I272-A342 HydrophobicContact CD1-CB 4.02Å; I272-V343 PolarHBondContact N-O 2.77Å; I272-L344 HydrophobicContact CB-CD1 3.53Å; I272-L344 HydrophobicContact CD1-CD1 4.1Å; I272-L344 HydrophobicContact CG1-CD1 4.42Å; I272-L344 HydrophobicContact CG2-CD1 3.31Å; I272-T345 PolarHBondContact O-N 2.87Å; I272-T345 PolarHBondContact O-OG1 2.93Å; I272-L359 HydrophobicContact CD1-CD2 3.73Å |
| 273 | F | 92.2 | Very high | 93 | Very high | 43 Ų | 43 | 20.9 Ų | 20.9 | 19% | 0.189 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 46.2 | -161.5 | -47.7 | -71.6 | 0 | 0 | 0 | 111.5 | G275 I293 D294 L344 T345 P346 I351 V355 | F273-G275 PolarHBondContact O-N 3.31Å; F273-I293 VanDerWaalsContact CA-O 3.27Å; F273-I293 WeakPolarHBondContact CA-O 3.44Å; F273-I293 PolarHBondContact N-O 3.41Å; F273-D294 VanDerWaalsContact C-OD2 3.22Å; F273-D294 WeakPolarHBondContact CA-OD2 3.09Å; F273-L344 HydrophobicContact CD2-CD1 3.73Å; F273-L344 HydrophobicContact CD2-CG 4.13Å; F273-L344 HydrophobicContact CE2-CD1 3.49Å; F273-L344 VanDerWaalsContact CE2-CD1 3.49Å; F273-L344 HydrophobicContact CE2-CG 3.95Å; F273-T345 VanDerWaalsContact CB-O 3.3Å; F273-T345 WeakPolarHBondContact CB-O 3.32Å; F273-T345 PolarHBondContact O-OG1 3.36Å; F273-P346 HydrophobicContact CD2-CB 4.17Å; F273-P346 HydrophobicContact CE2-CB 4.2Å; F273-I351 HydrophobicContact CE2-CD1 4.31Å; F273-I351 HydrophobicContact CE2-CG1 4.12Å; F273-I351 HydrophobicContact CZ-CG1 4.43Å; F273-V355 HydrophobicContact CZ-CG1 4.41Å |
| 274 | C | 94.7 | Very high | 94 | Very high | 11 Ų | 11 | 17 Ų | 17 | 7% | 0.074 | 9% | 0.088 | C | C | . | . | trans | -68.1 | -16.4 | -168.4 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | D271 T276 G277 I293 D294 | D271-C274 HydrophobicContact CB-CB 4.06Å; D271-C274 VanDerWaalsContact CG-CB 3.41Å; D271-C274 WeakPolarHBondContact O-CB 3.34Å; D271-C274 WeakPolarHBondContact OD2-CB 3.39Å; C274-T276 PolarHBondContact O-N 3.42Å; C274-T276 VanDerWaalsContact O-N 3.15Å; C274-G277 PolarHBondContact O-N 2.91Å; C274-I293 PolarHBondContact N-O 2.87Å; C274-I293 VanDerWaalsContact N-O 3.17Å; C274-D294 PolarHBondContact N-OD2 2.79Å | ||
| 275 | G | 94 | Very high | 94.8 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 19% | 0.186 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -120.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F273 G277 D294 A299 | F273-G275 PolarHBondContact O-N 3.31Å; G275-G277 PolarHBondContact O-N 2.79Å; G275-D294 WeakPolarHBondContact CA-OD2 3.19Å; G275-D294 PolarHBondContact N-OD2 2.82Å; G275-A299 CarbonylContact O-C 3.3Å |
| 276 | T | 95 | Very high | 95.3 | Very high | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 9.6 | 178.9 | 57.4 | 0 | 0 | 0 | 0 | 114.1 | V241 C274 N302 A303 N306 | V241-T276 HydrophobicContact CB-CG2 3.69Å; V241-T276 HydrophobicContact CG1-CG2 4.33Å; V241-T276 HydrophobicContact CG2-CG2 3.57Å; C274-T276 PolarHBondContact O-N 3.42Å; C274-T276 VanDerWaalsContact O-N 3.15Å; T276-N302 HydrophobicContact CG2-CB 4.47Å; T276-N302 WeakPolarHBondContact CG2-OD1 3.03Å; T276-A303 VanDerWaalsContact C-CB 3.49Å; T276-A303 VanDerWaalsContact O-CA 3.3Å; T276-A303 WeakPolarHBondContact O-CA 3.44Å; T276-A303 WeakPolarHBondContact O-CB 3.47Å; T276-N306 PolarHBondContact O-ND2 3.34Å |
| 277 | G | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 13.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C274 G275 L279 G280 L281 | C274-G277 PolarHBondContact O-N 2.91Å; G275-G277 PolarHBondContact O-N 2.79Å; G277-L279 PolarHBondContact O-N 3.06Å; G277-G280 PolarHBondContact O-N 2.93Å; G277-L281 VanDerWaalsContact O-CB 3.29Å; G277-L281 WeakPolarHBondContact O-CB 3.43Å; G277-L281 WeakPolarHBondContact O-CD1 3.32Å; G277-L281 WeakPolarHBondContact O-CG 3.33Å; G277-L281 PolarHBondContact O-N 2.95Å |
| 278 | A | 96.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L230 F235 F243 Y254 C282 | L230-A278 HydrophobicContact CD2-CB 4.48Å; F235-A278 HydrophobicContact CD1-CB 4.36Å; F235-A278 HydrophobicContact CE1-CB 3.98Å; F235-A278 HydrophobicContact CZ-CB 4.23Å; F243-A278 HydrophobicContact CE2-CB 3.97Å; Y254-A278 HydrophobicContact CE2-CB 4.23Å; A278-C282 WeakPolarHBondContact O-CB 3.45Å; A278-C282 PolarHBondContact O-N 2.85Å; A278-C282 VanDerWaalsContact O-N 3.08Å; A278-C282 PolarHBondContact O-SG 3.44Å |
| 279 | L | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.3 | -53.9 | -179.7 | -175 | 149.4 | 0 | 0 | 0 | 111.1 | Y254 V257 G277 L281 C282 L283 V343 T345 I371 | Y254-L279 HydrophobicContact CD1-CD1 3.97Å; Y254-L279 HydrophobicContact CD1-CG 4.25Å; Y254-L279 HydrophobicContact CE1-CB 3.94Å; Y254-L279 HydrophobicContact CE1-CD1 3.73Å; Y254-L279 HydrophobicContact CE1-CG 4.07Å; Y254-L279 HydrophobicContact CE2-CB 4.03Å; V257-L279 HydrophobicContact CG1-CD1 4.44Å; G277-L279 PolarHBondContact O-N 3.06Å; L279-L281 VanDerWaalsContact C-N 3.29Å; L279-L281 PolarHBondContact O-N 3.08Å; L279-C282 PolarHBondContact O-N 3.06Å; L279-C282 VanDerWaalsContact O-N 3.11Å; L279-L283 HydrophobicContact CD2-CD2 4.17Å; L279-L283 PolarHBondContact O-N 3.5Å; L279-L283 VanDerWaalsContact O-N 3.12Å; L279-V343 HydrophobicContact CD1-CG1 3.8Å; L279-V343 HydrophobicContact CD2-CB 4.14Å; L279-V343 HydrophobicContact CD2-CG1 3.97Å; L279-V343 HydrophobicContact CD2-CG2 4.33Å; L279-T345 HydrophobicContact CD1-CG2 4.01Å; L279-I371 HydrophobicContact CD1-CD1 3.78Å |
| 280 | G | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.1 | -42.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D271 G277 L283 A284 | D271-G280 WeakPolarHBondContact OD2-CA 3.28Å; D271-G280 PolarHBondContact OD2-N 3.33Å; G277-G280 PolarHBondContact O-N 2.93Å; G280-L283 PolarHBondContact O-N 3.37Å; G280-A284 WeakPolarHBondContact O-CA 3.41Å; G280-A284 WeakPolarHBondContact O-CB 3.24Å; G280-A284 PolarHBondContact O-N 3.03Å |
| 281 | L | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.9 | -38.9 | 177.3 | -69.1 | 168.2 | 0 | 0 | 0 | 112.1 | M233 F235 G277 L279 L283 A284 N306 A307 I312 Y317 | M233-L281 VanDerWaalsContact CE-C 3.41Å; M233-L281 HydrophobicContact CE-CB 4.38Å; M233-L281 WeakPolarHBondContact CE-O 3.34Å; M233-L281 HydrophobicContact SD-CB 4.01Å; F235-L281 HydrophobicContact CE1-CB 4.19Å; F235-L281 HydrophobicContact CE1-CD1 3.81Å; F235-L281 HydrophobicContact CZ-CB 4.19Å; G277-L281 VanDerWaalsContact O-CB 3.29Å; G277-L281 WeakPolarHBondContact O-CB 3.43Å; G277-L281 WeakPolarHBondContact O-CD1 3.32Å; G277-L281 WeakPolarHBondContact O-CG 3.33Å; G277-L281 PolarHBondContact O-N 2.95Å; L279-L281 VanDerWaalsContact C-N 3.29Å; L279-L281 PolarHBondContact O-N 3.08Å; L281-L283 PolarHBondContact O-N 2.94Å; L281-A284 PolarHBondContact O-N 3.15Å; L281-N306 HydrophobicContact CD1-CB 3.78Å; L281-A307 HydrophobicContact CD1-CB 4.49Å; L281-A307 HydrophobicContact CD2-CB 3.77Å; L281-I312 HydrophobicContact CB-CD1 4.24Å; L281-I312 HydrophobicContact CD2-CB 4.02Å; L281-I312 HydrophobicContact CD2-CD1 3.66Å; L281-I312 HydrophobicContact CD2-CG1 4.41Å; L281-I312 HydrophobicContact CD2-CG2 4.1Å; L281-Y317 WeakPolarHBondContact CD2-OH 3.45Å; L281-Y317 WeakPolarHBondContact CG-OH 3.37Å |
| 282 | C | 97.5 | Very high | 96 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 7% | 0.068 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -32.8 | 174.7 | -73.4 | 0 | 0 | 0 | 0 | 113.5 | F231 M233 Y254 A278 L279 | F231-C282 HydrophobicContact CD2-CB 4.34Å; F231-C282 HydrophobicContact CE2-CB 4.4Å; M233-C282 HydrophobicContact CE-CB 3.85Å; M233-C282 VanDerWaalsContact CE-N 3.3Å; M233-C282 WeakPolarHBondContact CE-SG 3.25Å; Y254-C282 HydrophobicContact CD2-CB 3.85Å; Y254-C282 HydrophobicContact CE2-CB 4.44Å; A278-C282 WeakPolarHBondContact O-CB 3.45Å; A278-C282 PolarHBondContact O-N 2.85Å; A278-C282 VanDerWaalsContact O-N 3.08Å; A278-C282 PolarHBondContact O-SG 3.44Å; L279-C282 PolarHBondContact O-N 3.06Å; L279-C282 VanDerWaalsContact O-N 3.11Å |
| 283 | L | 96.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -99 | -9.7 | -175.8 | -86.5 | 61.8 | 0 | 0 | 0 | 112.8 | V257 E258 L269 L279 G280 L281 K285 N286 Y287 | V257-L283 HydrophobicContact CG1-CD2 3.94Å; E258-L283 HydrophobicContact CB-CD1 4.4Å; E258-L283 HydrophobicContact CB-CD2 4.48Å; E258-L283 HydrophobicContact CB-CG 4.25Å; E258-L283 HydrophobicContact CG-CG 4.39Å; L269-L283 HydrophobicContact CD2-CB 3.76Å; L269-L283 HydrophobicContact CD2-CD2 4.27Å; L279-L283 HydrophobicContact CD2-CD2 4.17Å; L279-L283 PolarHBondContact O-N 3.5Å; L279-L283 VanDerWaalsContact O-N 3.12Å; G280-L283 PolarHBondContact O-N 3.37Å; L281-L283 PolarHBondContact O-N 2.94Å; L283-K285 PolarHBondContact O-N 3.46Å; L283-N286 WeakPolarHBondContact O-CB 3.32Å; L283-N286 PolarHBondContact O-N 3.25Å; L283-Y287 HydrophobicContact CB-CE2 4.06Å; L283-Y287 VanDerWaalsContact O-CD2 3.28Å; L283-Y287 WeakPolarHBondContact O-CD2 3.06Å |
| 284 | A | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -54.8 | -32.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G280 L281 N286 Y287 V290 I312 H314 | G280-A284 WeakPolarHBondContact O-CA 3.41Å; G280-A284 WeakPolarHBondContact O-CB 3.24Å; G280-A284 PolarHBondContact O-N 3.03Å; L281-A284 PolarHBondContact O-N 3.15Å; A284-N286 PolarHBondContact O-N 3.32Å; A284-N286 VanDerWaalsContact O-N 3.12Å; A284-Y287 PolarHBondContact O-N 3.38Å; A284-Y287 VanDerWaalsContact O-O 3.08Å; A284-V290 HydrophobicContact CB-CG2 3.91Å; A284-I312 HydrophobicContact CB-CD1 4.2Å; A284-I312 HydrophobicContact CB-CG2 3.87Å; A284-H314 PolarHBondContact O-NE2 3.22Å |
| 285 | K | 95.1 | Very high | 96.1 | Very high | 146 Ų | 146 | 28 Ų | 28 | 64% | 0.635 | 14% | 0.139 | S | C | * | . | G | 310 helix | trans | -60.8 | -19.4 | 177.2 | 67.9 | -175 | 176.6 | -169.9 | 0 | 114.3 | L283 | L283-K285 PolarHBondContact O-N 3.46Š|
| 286 | N | 95.1 | Very high | 96 | Very high | 63 Ų | 63 | 30.2 Ų | 30.2 | 34% | 0.337 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -96.2 | -3.2 | -177 | -63.1 | -34.7 | 0 | 0 | 0 | 113.4 | E258 L283 A284 | E258-N286 VanDerWaalsContact CD-ND2 3.29Å; E258-N286 VanDerWaalsContact CG-ND2 3.34Å; E258-N286 WeakPolarHBondContact CG-ND2 3.34Å; E258-N286 PolarHBondContact OE1-ND2 3.12Å; L283-N286 WeakPolarHBondContact O-CB 3.32Å; L283-N286 PolarHBondContact O-N 3.25Å; A284-N286 PolarHBondContact O-N 3.32Å; A284-N286 VanDerWaalsContact O-N 3.12Å |
| 287 | Y | 95.8 | Very high | 96 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -130.1 | 150.8 | -174.4 | -59.1 | -82.5 | 0 | 0 | 0 | 110.8 | C261 A266 L269 L283 A284 H289 H314 V341 | C261-Y287 WeakPolarHBondContact CB-OH 2.93Å; A266-Y287 HydrophobicContact CB-CE1 4.31Å; A266-Y287 WeakPolarHBondContact O-CD1 3.44Å; L269-Y287 HydrophobicContact CB-CD1 3.93Å; L269-Y287 HydrophobicContact CB-CD2 3.7Å; L269-Y287 HydrophobicContact CB-CE1 4.11Å; L269-Y287 HydrophobicContact CB-CE2 3.92Å; L269-Y287 HydrophobicContact CB-CG 3.71Å; L269-Y287 HydrophobicContact CD1-CE2 4.49Å; L269-Y287 HydrophobicContact CD2-CD2 4.05Å; L269-Y287 HydrophobicContact CD2-CE2 3.91Å; L269-Y287 HydrophobicContact CG-CD2 4.46Å; L269-Y287 HydrophobicContact CG-CE2 4.33Å; L283-Y287 HydrophobicContact CB-CE2 4.06Å; L283-Y287 VanDerWaalsContact O-CD2 3.28Å; L283-Y287 WeakPolarHBondContact O-CD2 3.06Å; A284-Y287 PolarHBondContact O-N 3.38Å; A284-Y287 VanDerWaalsContact O-O 3.08Å; Y287-H289 VanDerWaalsContact C-N 3.29Å; Y287-H314 PolarHBondContact O-CD2 3.24Å; Y287-H314 PolarHBondContact O-NE2 2.65Å; Y287-V341 HydrophobicContact CE1-CG1 3.57Å |
| 288 | K | 95.7 | Very high | 95.9 | Very high | 148 Ų | 148 | 40.8 Ų | 40.8 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -70.4 | -31.1 | 172.7 | -66.8 | 179.4 | -179 | 154.7 | 0 | 111.5 | D267 H314 | D267-K288 HydrophobicContact CB-CD 4.1Å; D267-K288 WeakPolarHBondContact O-CB 3.33Å; D267-K288 PolarHBondContact O-N 2.96Å; D267-K288 WeakPolarHBondContact OD1-CD 3.1Å; D267-K288 WeakPolarHBondContact OD1-CE 3.44Å; D267-K288 IonicContact OD1-NZ 3.49Å; D267-K288 PolarHBondContact OD1-NZ 3.44Å; D267-K288 IonicContact OD2-NZ 2.84Å; K288-H314 PolarHBondContact O-CD2 3.18Å |
| 289 | H | 97.1 | Very high | 95.8 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 11% | 0.111 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 148.2 | 179.1 | -148.3 | 75.8 | 0 | 0 | 0 | 111.4 | D267 V268 L269 Y287 I291 H314 D316 A334 | D267-H289 PolarHBondContact O-N 2.84Å; V268-H289 WeakPolarHBondContact CA-O 3.14Å; V268-H289 HydrophobicContact CG2-CB 4.19Å; L269-H289 PolarHBondContact N-O 3.36Å; L269-H289 VanDerWaalsContact N-O 3.08Å; Y287-H289 VanDerWaalsContact C-N 3.29Å; H289-I291 VanDerWaalsContact CD2-CD1 3.45Å; H289-I291 WeakPolarHBondContact CD2-CD1 3.07Å; H289-H314 WeakPolarHBondContact CA-O 3.28Å; H289-H314 PolarHBondContact ND1-O 3.44Å; H289-D316 IonicContact CD2-OD2 3.24Å; H289-D316 IonicContact CE1-OD2 2.6Å; H289-D316 PolarHBondContact CE1-OD2 2.92Å; H289-D316 IonicContact NE2-OD2 3.59Å; H289-D316 PolarHBondContact NE2-OD2 3.48Å; H289-A334 HydrophobicContact CB-CB 4.48Å |
| 290 | V | 97.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.7 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | L269 A284 H314 C315 D316 | L269-V290 HydrophobicContact CB-CG1 4.44Å; L269-V290 HydrophobicContact CB-CG2 4.32Å; L269-V290 HydrophobicContact CD2-CG1 4.25Å; L269-V290 HydrophobicContact CD2-CG2 4.48Å; L269-V290 HydrophobicContact CG-CG1 4.39Å; L269-V290 CarbonylContact O-C 3.58Å; L269-V290 WeakPolarHBondContact O-CA 3.43Å; A284-V290 HydrophobicContact CB-CG2 3.91Å; V290-H314 PolarHBondContact N-O 3.18Å; V290-C315 HydrophobicContact CB-CB 4.47Å; V290-C315 CarbonylContact O-C 3.4Å; V290-C315 VanDerWaalsContact O-CA 3.28Å; V290-C315 WeakPolarHBondContact O-CA 3.37Å; V290-D316 PolarHBondContact O-N 3.32Å |
| 291 | I | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.5 | 172 | -52.4 | -66.5 | 0 | 0 | 0 | 109.7 | V268 L269 L270 D271 H289 I293 D316 F318 V329 L332 V335 | V268-I291 HydrophobicContact CG1-CG1 4.4Å; L269-I291 PolarHBondContact O-N 2.98Å; L270-I291 CarbonylContact C-O 3.48Å; L270-I291 HydrophobicContact CD2-CB 3.8Å; L270-I291 HydrophobicContact CD2-CG1 3.91Å; D271-I291 PolarHBondContact N-O 2.84Å; H289-I291 VanDerWaalsContact CD2-CD1 3.45Å; H289-I291 WeakPolarHBondContact CD2-CD1 3.07Å; I291-I293 HydrophobicContact CG2-CD1 4.49Å; I291-I293 HydrophobicContact CG2-CG1 4.12Å; I291-D316 CarbonylContact C-O 3.57Å; I291-D316 WeakPolarHBondContact CA-O 3.29Å; I291-D316 HydrophobicContact CD1-CB 3.84Å; I291-F318 HydrophobicContact CD1-CE2 4.2Å; I291-F318 HydrophobicContact CG2-CD2 3.68Å; I291-F318 HydrophobicContact CG2-CE2 3.75Å; I291-V329 HydrophobicContact CB-CG1 4.13Å; I291-V329 HydrophobicContact CD1-CG1 4.35Å; I291-V329 HydrophobicContact CG1-CG1 3.86Å; I291-V329 HydrophobicContact CG2-CG1 3.62Å; I291-V329 HydrophobicContact CG2-CG2 4.25Å; I291-L332 HydrophobicContact CD1-CD1 4.19Å; I291-V335 HydrophobicContact CD1-CG2 3.91Å; I291-V335 HydrophobicContact CG1-CG2 3.88Å |
| 292 | G | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D271 D316 Y317 F318 | D271-G292 WeakPolarHBondContact O-CA 3.23Å; G292-D316 PolarHBondContact N-O 3.11Å; G292-Y317 CarbonylContact O-C 3.23Å; G292-Y317 VanDerWaalsContact O-CA 3.32Å; G292-Y317 WeakPolarHBondContact O-CA 3.48Å; G292-F318 PolarHBondContact O-N 3.39Å |
| 293 | I | 95.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.8 | 174.4 | -56.6 | 176 | 0 | 0 | 0 | 109.3 | D271 F273 C274 I291 F318 L322 L325 V329 | D271-I293 PolarHBondContact O-N 3.08Å; F273-I293 VanDerWaalsContact CA-O 3.27Å; F273-I293 WeakPolarHBondContact CA-O 3.44Å; F273-I293 PolarHBondContact N-O 3.41Å; C274-I293 PolarHBondContact N-O 2.87Å; C274-I293 VanDerWaalsContact N-O 3.17Å; I291-I293 HydrophobicContact CG2-CD1 4.49Å; I291-I293 HydrophobicContact CG2-CG1 4.12Å; I293-F318 WeakPolarHBondContact CA-O 3.26Å; I293-F318 HydrophobicContact CG1-CB 4.45Å; I293-L322 HydrophobicContact CB-CD1 4.47Å; I293-L322 HydrophobicContact CD1-CD1 3.54Å; I293-L322 HydrophobicContact CG2-CD1 4.27Å; I293-L325 HydrophobicContact CD1-CB 4.5Å; I293-L325 HydrophobicContact CG2-CD1 3.88Å; I293-V329 HydrophobicContact CD1-CG2 4.2Å |
| 294 | D | 94.8 | Very high | 95.8 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159.2 | 174.8 | -155.2 | -73.3 | 0 | 0 | 0 | 110.9 | F273 C274 G275 N296 I300 F318 C319 G320 | F273-D294 VanDerWaalsContact C-OD2 3.22Å; F273-D294 WeakPolarHBondContact CA-OD2 3.09Å; C274-D294 PolarHBondContact N-OD2 2.79Å; G275-D294 WeakPolarHBondContact CA-OD2 3.19Å; G275-D294 PolarHBondContact N-OD2 2.82Å; D294-N296 WeakPolarHBondContact OD1-CB 3.41Å; D294-N296 PolarHBondContact OD1-N 3.15Å; D294-I300 HydrophobicContact CB-CD1 3.79Å; D294-I300 HydrophobicContact CB-CG1 4.02Å; D294-F318 PolarHBondContact N-O 3.08Å; D294-C319 CarbonylContact O-C 3.49Å; D294-C319 VanDerWaalsContact O-CA 3.25Å; D294-C319 WeakPolarHBondContact O-CA 3.46Å; D294-G320 PolarHBondContact O-N 2.9Å |
| 295 | L | 92.1 | Very high | 95.8 | Very high | 105 Ų | 105 | 52.6 Ų | 52.6 | 55% | 0.55 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -83.9 | -24.2 | 175 | -76.1 | 165.5 | 0 | 0 | 0 | 112.4 | K297 G320 Q321 | L295-K297 PolarHBondContact O-N 3.2Å; L295-G320 VanDerWaalsContact CD2-C 3.41Å; L295-G320 WeakPolarHBondContact CD2-O 3.31Å; L295-Q321 HydrophobicContact CD2-CB 4.35Å; L295-Q321 HydrophobicContact CD2-CG 3.66Å |
| 296 | N | 91.6 | Very high | 95.9 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 35% | 0.348 | 22% | 0.224 | S | C | . | . | trans | -84.4 | 109.4 | -176.6 | -175.4 | -31.1 | 0 | 0 | 0 | 110.9 | D294 E298 A299 I300 | D294-N296 WeakPolarHBondContact OD1-CB 3.41Å; D294-N296 PolarHBondContact OD1-N 3.15Å; N296-E298 PolarHBondContact O-N 3.36Å; N296-E298 PolarHBondContact OD1-N 3.25Å; N296-A299 HydrophobicContact CB-CB 3.79Å; N296-A299 WeakPolarHBondContact O-CB 3.47Å; N296-A299 PolarHBondContact O-N 3.31Å; N296-A299 PolarHBondContact OD1-N 2.8Å; N296-I300 WeakPolarHBondContact O-CG1 3.47Å; N296-I300 PolarHBondContact O-N 3.09Å | ||
| 297 | K | 94.8 | Very high | 96 | Very high | 134 Ų | 134 | 42.9 Ų | 42.9 | 58% | 0.583 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -57.4 | -44.7 | 179.7 | -174.1 | -178.1 | 173.8 | -169.2 | 0 | 113.2 | L295 A299 I300 E301 C319 | L295-K297 PolarHBondContact O-N 3.2Å; K297-A299 VanDerWaalsContact C-N 3.31Å; K297-A299 PolarHBondContact O-N 3.48Å; K297-I300 PolarHBondContact O-N 3.15Å; K297-E301 WeakPolarHBondContact CE-OE1 3.38Å; K297-E301 IonicContact NZ-OE1 3.42Å; K297-E301 WeakPolarHBondContact O-CG 3.38Å; K297-E301 PolarHBondContact O-N 3.41Å; K297-C319 VanDerWaalsContact CA-SG 3.59Å |
| 298 | E | 93.4 | Very high | 96.1 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.2 | -35.5 | 179.9 | -64.6 | -174.3 | 178.3 | 0 | 0 | 111.6 | S240 V241 N296 E301 N302 | S240-E298 WeakPolarHBondContact CB-OE2 3.38Å; S240-E298 PolarHBondContact OG-OE2 3.41Å; V241-E298 HydrophobicContact CG1-CB 4.33Å; N296-E298 PolarHBondContact O-N 3.36Å; N296-E298 PolarHBondContact OD1-N 3.25Å; E298-E301 PolarHBondContact O-N 2.83Å; E298-N302 VanDerWaalsContact O-CB 3.27Å; E298-N302 WeakPolarHBondContact O-CB 3.27Å; E298-N302 PolarHBondContact O-N 3.43Å |
| 299 | A | 94.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V241 G275 N296 K297 N302 A303 | V241-A299 HydrophobicContact CG1-CB 4.26Å; G275-A299 CarbonylContact O-C 3.3Å; N296-A299 HydrophobicContact CB-CB 3.79Å; N296-A299 WeakPolarHBondContact O-CB 3.47Å; N296-A299 PolarHBondContact O-N 3.31Å; N296-A299 PolarHBondContact OD1-N 2.8Å; K297-A299 VanDerWaalsContact C-N 3.31Å; K297-A299 PolarHBondContact O-N 3.48Å; A299-N302 PolarHBondContact O-N 2.82Å; A299-A303 WeakPolarHBondContact O-CB 3.44Å; A299-A303 PolarHBondContact O-N 3.12Å |
| 300 | I | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 175.1 | -69.7 | -69.4 | 0 | 0 | 0 | 112.1 | D294 N296 K297 N302 A303 K304 F318 C319 | D294-I300 HydrophobicContact CB-CD1 3.79Å; D294-I300 HydrophobicContact CB-CG1 4.02Å; N296-I300 WeakPolarHBondContact O-CG1 3.47Å; N296-I300 PolarHBondContact O-N 3.09Å; K297-I300 PolarHBondContact O-N 3.15Å; I300-N302 VanDerWaalsContact C-N 3.3Å; I300-N302 PolarHBondContact O-N 3.45Å; I300-A303 WeakPolarHBondContact O-CB 3.48Å; I300-A303 PolarHBondContact O-N 3.39Å; I300-K304 WeakPolarHBondContact O-CG 3.38Å; I300-K304 PolarHBondContact O-N 3.33Å; I300-F318 WeakPolarHBondContact CD1-O 3.22Å; I300-C319 HydrophobicContact CB-CB 4.45Å; I300-C319 HydrophobicContact CG1-CB 4.11Å; I300-C319 HydrophobicContact CG2-CB 4.4Å |
| 301 | E | 97.1 | Very high | 96.1 | Very high | 103 Ų | 103 | 52 Ų | 52 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.3 | -72.2 | 176.3 | -178.2 | 0 | 0 | 111.1 | K297 E298 K304 A305 | K297-E301 WeakPolarHBondContact CE-OE1 3.38Å; K297-E301 IonicContact NZ-OE1 3.42Å; K297-E301 WeakPolarHBondContact O-CG 3.38Å; K297-E301 PolarHBondContact O-N 3.41Å; E298-E301 PolarHBondContact O-N 2.83Å; E301-K304 PolarHBondContact O-N 3.03Å; E301-A305 PolarHBondContact O-N 2.96Å; E301-A305 VanDerWaalsContact O-N 3.09Å |
| 302 | N | 96.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.032 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 175 | -175.3 | -144.8 | 0 | 0 | 0 | 112.5 | C236 L238 V241 T276 E298 A299 I300 A305 N306 | C236-N302 PolarHBondContact O-ND2 3.47Å; C236-N302 PolarHBondContact O-OD1 2.95Å; L238-N302 HydrophobicContact CD1-CB 4.05Å; V241-N302 HydrophobicContact CG1-CB 4.45Å; T276-N302 HydrophobicContact CG2-CB 4.47Å; T276-N302 WeakPolarHBondContact CG2-OD1 3.03Å; E298-N302 VanDerWaalsContact O-CB 3.27Å; E298-N302 WeakPolarHBondContact O-CB 3.27Å; E298-N302 PolarHBondContact O-N 3.43Å; A299-N302 PolarHBondContact O-N 2.82Å; I300-N302 VanDerWaalsContact C-N 3.3Å; I300-N302 PolarHBondContact O-N 3.45Å; N302-A305 PolarHBondContact O-N 3.44Å; N302-N306 WeakPolarHBondContact O-CB 3.47Å; N302-N306 VanDerWaalsContact O-CG 3.27Å; N302-N306 PolarHBondContact O-N 3.32Å; N302-N306 PolarHBondContact O-ND2 3.22Å |
| 303 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T276 A299 I300 A305 N306 A307 Y317 | T276-A303 VanDerWaalsContact C-CB 3.49Å; T276-A303 VanDerWaalsContact O-CA 3.3Å; T276-A303 WeakPolarHBondContact O-CA 3.44Å; T276-A303 WeakPolarHBondContact O-CB 3.47Å; A299-A303 WeakPolarHBondContact O-CB 3.44Å; A299-A303 PolarHBondContact O-N 3.12Å; I300-A303 WeakPolarHBondContact O-CB 3.48Å; I300-A303 PolarHBondContact O-N 3.39Å; A303-A305 PolarHBondContact O-N 3.23Å; A303-N306 PolarHBondContact O-N 3.49Å; A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 2.92Å; A303-Y317 HydrophobicContact CB-CD1 3.64Å; A303-Y317 HydrophobicContact CB-CD2 4.37Å; A303-Y317 HydrophobicContact CB-CE1 3.57Å; A303-Y317 HydrophobicContact CB-CE2 4.27Å; A303-Y317 HydrophobicContact CB-CG 4.07Å |
| 304 | K | 98.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 62.4 Ų | 62.4 | 45% | 0.452 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 174 | -68.9 | 174.3 | -177.6 | -176.8 | 0 | 112.3 | I300 E301 A307 S308 Y317 | I300-K304 WeakPolarHBondContact O-CG 3.38Å; I300-K304 PolarHBondContact O-N 3.33Å; E301-K304 PolarHBondContact O-N 3.03Å; K304-A307 PolarHBondContact O-N 3.46Å; K304-S308 PolarHBondContact O-N 3.36Å; K304-S308 PolarHBondContact O-OG 3.33Å; K304-Y317 HydrophobicContact CG-CD2 3.73Å; K304-Y317 HydrophobicContact CG-CG 4.3Å |
| 305 | A | 96.7 | Very high | 96.2 | Very high | 51 Ų | 51 | 62 Ų | 62 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E301 N302 A303 S308 A309 | E301-A305 PolarHBondContact O-N 2.96Å; E301-A305 VanDerWaalsContact O-N 3.09Å; N302-A305 PolarHBondContact O-N 3.44Å; A303-A305 PolarHBondContact O-N 3.23Å; A305-S308 PolarHBondContact O-N 2.9Å; A305-A309 VanDerWaalsContact O-CB 3.31Å; A305-A309 WeakPolarHBondContact O-CB 3.48Å; A305-A309 PolarHBondContact O-N 2.82Å |
| 306 | N | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.4 | -73.5 | -29.8 | 0 | 0 | 0 | 112.1 | F235 C236 T276 L281 N302 A303 A309 N310 | F235-N306 HydrophobicContact CD1-CB 4.15Å; C236-N306 WeakPolarHBondContact CB-OD1 3.33Å; C236-N306 PolarHBondContact N-OD1 3.04Å; C236-N306 PolarHBondContact O-ND2 2.89Å; C236-N306 PolarHBondContact O-OD1 3.06Å; T276-N306 PolarHBondContact O-ND2 3.34Å; L281-N306 HydrophobicContact CD1-CB 3.78Å; N302-N306 WeakPolarHBondContact O-CB 3.47Å; N302-N306 VanDerWaalsContact O-CG 3.27Å; N302-N306 PolarHBondContact O-N 3.32Å; N302-N306 PolarHBondContact O-ND2 3.22Å; A303-N306 PolarHBondContact O-N 3.49Å; N306-A309 PolarHBondContact O-N 3.39Å; N306-N310 PolarHBondContact O-N 2.89Å; N306-N310 PolarHBondContact O-ND2 2.9Å |
| 307 | A | 98.2 | Very high | 96.8 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L281 A303 K304 A309 N310 K311 I312 Y317 | L281-A307 HydrophobicContact CD1-CB 4.49Å; L281-A307 HydrophobicContact CD2-CB 3.77Å; A303-A307 WeakPolarHBondContact O-CB 3.43Å; A303-A307 PolarHBondContact O-N 2.92Å; K304-A307 PolarHBondContact O-N 3.46Å; A307-A309 PolarHBondContact O-N 3.1Å; A307-N310 CarbonylContact O-C 3.51Å; A307-N310 PolarHBondContact O-N 3.09Å; A307-K311 PolarHBondContact O-N 2.87Å; A307-I312 PolarHBondContact O-N 2.91Å; A307-Y317 HydrophobicContact CB-CE2 3.94Å |
| 308 | S | 97.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | K304 A305 N310 K311 | K304-S308 PolarHBondContact O-N 3.36Å; K304-S308 PolarHBondContact O-OG 3.33Å; A305-S308 PolarHBondContact O-N 2.9Å; S308-N310 VanDerWaalsContact C-N 3.32Å; S308-N310 PolarHBondContact O-N 3.04Å; S308-K311 PolarHBondContact O-N 3.34Å; S308-K311 VanDerWaalsContact O-N 3.08Å |
| 309 | A | 95.6 | Very high | 97.1 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 55% | 0.554 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -34.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A305 N306 A307 K311 | A305-A309 VanDerWaalsContact O-CB 3.31Å; A305-A309 WeakPolarHBondContact O-CB 3.48Å; A305-A309 PolarHBondContact O-N 2.82Å; N306-A309 PolarHBondContact O-N 3.39Å; A307-A309 PolarHBondContact O-N 3.1Å; A309-K311 VanDerWaalsContact C-N 3.31Å |
| 310 | N | 97.7 | Very high | 97 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.193 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 6.1 | 175.3 | -66.6 | -78.4 | 0 | 0 | 0 | 113.1 | M233 R234 N306 A307 S308 I312 | M233-N310 WeakPolarHBondContact CA-OD1 3.4Å; M233-N310 WeakPolarHBondContact CB-OD1 3.48Å; M233-N310 HydrophobicContact CG-CB 4.36Å; M233-N310 WeakPolarHBondContact CG-OD1 3.38Å; M233-N310 HydrophobicContact SD-CB 4.22Å; R234-N310 PolarHBondContact N-OD1 2.9Å; R234-N310 PolarHBondContact O-ND2 2.67Å; R234-N310 PolarHBondContact O-OD1 2.8Å; N306-N310 PolarHBondContact O-N 2.89Å; N306-N310 PolarHBondContact O-ND2 2.9Å; A307-N310 CarbonylContact O-C 3.51Å; A307-N310 PolarHBondContact O-N 3.09Å; S308-N310 VanDerWaalsContact C-N 3.32Å; S308-N310 PolarHBondContact O-N 3.04Å; N310-I312 VanDerWaalsContact C-N 3.26Å; N310-I312 HydrophobicContact CB-CD1 4.19Å; N310-I312 HydrophobicContact CB-CG1 4.39Å; N310-I312 PolarHBondContact O-N 3.25Å |
| 311 | K | 97.3 | Very high | 96.8 | Very high | 188 Ų | 188 | 57.8 Ų | 57.8 | 82% | 0.817 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 34.5 | 178.4 | -53 | 176.2 | -177.9 | 175.3 | 0 | 113.7 | A307 S308 A309 | A307-K311 PolarHBondContact O-N 2.87Å; S308-K311 PolarHBondContact O-N 3.34Å; S308-K311 VanDerWaalsContact O-N 3.08Å; A309-K311 VanDerWaalsContact C-N 3.31Å |
| 312 | I | 97.6 | Very high | 96.4 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | trans | -99.3 | 114.8 | 174.8 | -61.1 | 169.6 | 0 | 0 | 0 | 107.6 | M233 L281 A284 A307 N310 C315 | M233-I312 HydrophobicContact SD-CD1 3.84Å; L281-I312 HydrophobicContact CB-CD1 4.24Å; L281-I312 HydrophobicContact CD2-CB 4.02Å; L281-I312 HydrophobicContact CD2-CD1 3.66Å; L281-I312 HydrophobicContact CD2-CG1 4.41Å; L281-I312 HydrophobicContact CD2-CG2 4.1Å; A284-I312 HydrophobicContact CB-CD1 4.2Å; A284-I312 HydrophobicContact CB-CG2 3.87Å; A307-I312 PolarHBondContact O-N 2.91Å; N310-I312 VanDerWaalsContact C-N 3.26Å; N310-I312 HydrophobicContact CB-CD1 4.19Å; N310-I312 HydrophobicContact CB-CG1 4.39Å; N310-I312 PolarHBondContact O-N 3.25Å; I312-C315 WeakPolarHBondContact CG2-SG 3.41Å | ||
| 313 | N | 95.6 | Very high | 96.1 | Very high | 153 Ų | 153 | 54.6 Ų | 54.6 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | trans | -110.9 | -0.4 | -170.3 | 63.6 | -5.5 | 0 | 0 | 0 | 114.4 | ||||
| 314 | H | 96.5 | Very high | 95.8 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 21% | 0.213 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -106.8 | 38.4 | 178.1 | 61.6 | -73.2 | 0 | 0 | 0 | 112.4 | A284 Y287 K288 H289 V290 | A284-H314 PolarHBondContact O-NE2 3.22Å; Y287-H314 PolarHBondContact O-CD2 3.24Å; Y287-H314 PolarHBondContact O-NE2 2.65Å; K288-H314 PolarHBondContact O-CD2 3.18Å; H289-H314 WeakPolarHBondContact CA-O 3.28Å; H289-H314 PolarHBondContact ND1-O 3.44Å; V290-H314 PolarHBondContact N-O 3.18Å |
| 315 | C | 97.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.5 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | V290 I312 Y317 | V290-C315 HydrophobicContact CB-CB 4.47Å; V290-C315 CarbonylContact O-C 3.4Å; V290-C315 VanDerWaalsContact O-CA 3.28Å; V290-C315 WeakPolarHBondContact O-CA 3.37Å; I312-C315 WeakPolarHBondContact CG2-SG 3.41Å; C315-Y317 HydrophobicContact CB-CE2 3.71Å |
| 316 | D | 97.2 | Very high | 95.1 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 35% | 0.353 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 142.8 | 169.2 | -68.5 | -52.9 | 0 | 0 | 0 | 111.2 | H289 V290 I291 G292 F318 | H289-D316 IonicContact CD2-OD2 3.24Å; H289-D316 IonicContact CE1-OD2 2.6Å; H289-D316 PolarHBondContact CE1-OD2 2.92Å; H289-D316 IonicContact NE2-OD2 3.59Å; H289-D316 PolarHBondContact NE2-OD2 3.48Å; V290-D316 PolarHBondContact O-N 3.32Å; I291-D316 CarbonylContact C-O 3.57Å; I291-D316 WeakPolarHBondContact CA-O 3.29Å; I291-D316 HydrophobicContact CD1-CB 3.84Å; G292-D316 PolarHBondContact N-O 3.11Å; D316-F318 HydrophobicContact CB-CE2 3.64Å; D316-F318 HydrophobicContact CB-CZ 4.02Å |
| 317 | Y | 97.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 57.5 Ų | 57.5 | 5% | 0.051 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.6 | -176.9 | -60.8 | -84.9 | 0 | 0 | 0 | 111.9 | L281 G292 A303 K304 A307 C315 | L281-Y317 WeakPolarHBondContact CD2-OH 3.45Å; L281-Y317 WeakPolarHBondContact CG-OH 3.37Å; G292-Y317 CarbonylContact O-C 3.23Å; G292-Y317 VanDerWaalsContact O-CA 3.32Å; G292-Y317 WeakPolarHBondContact O-CA 3.48Å; A303-Y317 HydrophobicContact CB-CD1 3.64Å; A303-Y317 HydrophobicContact CB-CD2 4.37Å; A303-Y317 HydrophobicContact CB-CE1 3.57Å; A303-Y317 HydrophobicContact CB-CE2 4.27Å; A303-Y317 HydrophobicContact CB-CG 4.07Å; K304-Y317 HydrophobicContact CG-CD2 3.73Å; K304-Y317 HydrophobicContact CG-CG 4.3Å; A307-Y317 HydrophobicContact CB-CE2 3.94Å; C315-Y317 HydrophobicContact CB-CE2 3.71Å |
| 318 | F | 97.5 | Very high | 94.3 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129 | -176.1 | -58.8 | -91.5 | 0 | 0 | 0 | 111.5 | I291 G292 I293 D294 I300 D316 L325 V329 L332 | I291-F318 HydrophobicContact CD1-CE2 4.2Å; I291-F318 HydrophobicContact CG2-CD2 3.68Å; I291-F318 HydrophobicContact CG2-CE2 3.75Å; G292-F318 PolarHBondContact O-N 3.39Å; I293-F318 WeakPolarHBondContact CA-O 3.26Å; I293-F318 HydrophobicContact CG1-CB 4.45Å; D294-F318 PolarHBondContact N-O 3.08Å; I300-F318 WeakPolarHBondContact CD1-O 3.22Å; D316-F318 HydrophobicContact CB-CE2 3.64Å; D316-F318 HydrophobicContact CB-CZ 4.02Å; F318-L325 HydrophobicContact CB-CD1 3.96Å; F318-V329 HydrophobicContact CD1-CG2 4.46Å; F318-V329 HydrophobicContact CD2-CG2 3.81Å; F318-V329 HydrophobicContact CE2-CG2 3.94Å; F318-V329 HydrophobicContact CG-CG2 4.1Å; F318-V329 HydrophobicContact CZ-CG2 4.34Å; F318-L332 HydrophobicContact CE2-CD1 4Å; F318-L332 HydrophobicContact CZ-CD1 3.55Å |
| 319 | C | 96.7 | Very high | 93.9 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 43% | 0.426 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.8 | 176.4 | -175 | 0 | 0 | 0 | 0 | 110.2 | D294 K297 I300 | D294-C319 CarbonylContact O-C 3.49Å; D294-C319 VanDerWaalsContact O-CA 3.25Å; D294-C319 WeakPolarHBondContact O-CA 3.46Å; K297-C319 VanDerWaalsContact CA-SG 3.59Å; I300-C319 HydrophobicContact CB-CB 4.45Å; I300-C319 HydrophobicContact CG1-CB 4.11Å; I300-C319 HydrophobicContact CG2-CB 4.4Å |
| 320 | G | 94.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 56.3 Ų | 56.3 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 154.6 | -175.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D294 L295 | D294-G320 PolarHBondContact O-N 2.9Å; L295-G320 VanDerWaalsContact CD2-C 3.41Å; L295-G320 WeakPolarHBondContact CD2-O 3.31Å |
| 321 | Q | 91.7 | Very high | 93 | Very high | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | trans | -72.7 | 131.8 | 177.2 | -72.4 | 177.4 | -31 | 0 | 0 | 110.5 | L295 E323 N324 L325 | L295-Q321 HydrophobicContact CD2-CB 4.35Å; L295-Q321 HydrophobicContact CD2-CG 3.66Å; Q321-E323 VanDerWaalsContact C-N 3.32Å; Q321-E323 HydrophobicContact CB-CG 4.5Å; Q321-E323 PolarHBondContact O-N 3.35Å; Q321-N324 PolarHBondContact O-N 3.37Å; Q321-N324 VanDerWaalsContact O-N 3.12Å; Q321-N324 PolarHBondContact OE1-ND2 2.92Å; Q321-L325 WeakPolarHBondContact O-CG 3.31Å; Q321-L325 PolarHBondContact O-N 3.27Å | ||
| 322 | L | 90.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | -176.2 | 178.2 | 70.3 | 0 | 0 | 0 | 111.9 | I272 I293 N324 L325 I326 V355 L359 | I272-L322 HydrophobicContact CD1-CD1 4.08Å; I272-L322 HydrophobicContact CD1-CD2 4.13Å; I272-L322 HydrophobicContact CG1-CD1 4.19Å; I272-L322 HydrophobicContact CG2-CD1 3.84Å; I272-L322 HydrophobicContact CG2-CD2 3.76Å; I272-L322 HydrophobicContact CG2-CG 4.22Å; I293-L322 HydrophobicContact CB-CD1 4.47Å; I293-L322 HydrophobicContact CD1-CD1 3.54Å; I293-L322 HydrophobicContact CG2-CD1 4.27Å; L322-N324 PolarHBondContact O-N 3.45Å; L322-N324 VanDerWaalsContact O-N 3.08Å; L322-L325 PolarHBondContact O-N 2.95Å; L322-I326 HydrophobicContact CD1-CB 4.05Å; L322-I326 HydrophobicContact CD1-CD1 4.23Å; L322-I326 HydrophobicContact CD1-CG1 4.35Å; L322-I326 HydrophobicContact CD2-CD1 4.49Å; L322-I326 HydrophobicContact CG-CB 4.34Å; L322-I326 HydrophobicContact CG-CD1 4.45Å; L322-I326 WeakPolarHBondContact O-CB 3.37Å; L322-I326 PolarHBondContact O-N 2.94Å; L322-V355 HydrophobicContact CB-CG2 4.4Å; L322-V355 HydrophobicContact CD2-CG1 3.61Å; L322-L359 HydrophobicContact CD2-CD1 4.32Å; L322-L359 HydrophobicContact CD2-CD2 4.01Å; L322-L359 HydrophobicContact CD2-CG 3.94Å |
| 323 | E | 88.4 | Confident | 92.1 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -23.3 | -176.8 | 63.6 | -90.3 | -149.8 | 0 | 0 | 113.2 | Q321 K354 V355 A358 | Q321-E323 VanDerWaalsContact C-N 3.32Å; Q321-E323 HydrophobicContact CB-CG 4.5Å; Q321-E323 PolarHBondContact O-N 3.35Å; E323-K354 HydrophobicContact CB-CB 4.3Å; E323-K354 HydrophobicContact CG-CB 4.11Å; E323-V355 WeakPolarHBondContact OE2-CG2 3.39Å; E323-A358 HydrophobicContact CB-CB 3.9Å |
| 324 | N | 90.9 | Very high | 91.7 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -93.8 | -17.4 | 178 | -61.3 | -27.3 | 0 | 0 | 0 | 112.9 | Q321 L322 N328 | Q321-N324 PolarHBondContact O-N 3.37Å; Q321-N324 VanDerWaalsContact O-N 3.12Å; Q321-N324 PolarHBondContact OE1-ND2 2.92Å; L322-N324 PolarHBondContact O-N 3.45Å; L322-N324 VanDerWaalsContact O-N 3.08Å; N324-N328 PolarHBondContact O-ND2 2.99Å |
| 325 | L | 92.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -106.7 | -33.6 | -172.5 | -67.9 | 177.5 | 0 | 0 | 0 | 113.2 | I293 F318 Q321 L322 F327 N328 V329 | I293-L325 HydrophobicContact CD1-CB 4.5Å; I293-L325 HydrophobicContact CG2-CD1 3.88Å; F318-L325 HydrophobicContact CB-CD1 3.96Å; Q321-L325 WeakPolarHBondContact O-CG 3.31Å; Q321-L325 PolarHBondContact O-N 3.27Å; L322-L325 PolarHBondContact O-N 2.95Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.27Å; L325-N328 PolarHBondContact O-N 3.49Å; L325-V329 WeakPolarHBondContact O-CG2 3.21Å; L325-V329 PolarHBondContact O-N 3.48Å |
| 326 | I | 89.9 | Confident | 90.8 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.9 | -44.8 | -167.2 | -164.8 | 168.5 | 0 | 0 | 0 | 112.3 | L322 N328 V329 L330 A358 L359 C362 | L322-I326 HydrophobicContact CD1-CB 4.05Å; L322-I326 HydrophobicContact CD1-CD1 4.23Å; L322-I326 HydrophobicContact CD1-CG1 4.35Å; L322-I326 HydrophobicContact CD2-CD1 4.49Å; L322-I326 HydrophobicContact CG-CB 4.34Å; L322-I326 HydrophobicContact CG-CD1 4.45Å; L322-I326 WeakPolarHBondContact O-CB 3.37Å; L322-I326 PolarHBondContact O-N 2.94Å; I326-N328 PolarHBondContact O-N 3.4Å; I326-V329 PolarHBondContact O-N 2.95Å; I326-L330 VanDerWaalsContact O-CG 3.25Å; I326-L330 WeakPolarHBondContact O-CG 3.3Å; I326-L330 PolarHBondContact O-N 2.97Å; I326-L330 VanDerWaalsContact O-N 3.15Å; I326-A358 HydrophobicContact CG2-CB 4.09Å; I326-L359 HydrophobicContact CD1-CD2 3.94Å; I326-C362 HydrophobicContact CD1-CB 3.83Å; I326-C362 HydrophobicContact CG1-CB 4.48Å |
| 327 | F | 87.8 | Confident | 90.2 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 37% | 0.373 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.6 | -33.4 | -179.4 | -59.1 | -67.9 | 0 | 0 | 0 | 113.1 | L325 L330 E361 | L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.27Å; F327-L330 PolarHBondContact O-N 3.32Å; F327-E361 HydrophobicContact CE1-CB 4.22Å; F327-E361 HydrophobicContact CZ-CB 3.81Å |
| 328 | N | 90 | Very high | 89.7 | Confident | 112 Ų | 112 | 59.4 Ų | 59.4 | 60% | 0.599 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.6 | -38.6 | 176.7 | -64.6 | -25.4 | 0 | 0 | 0 | 111.2 | N324 L325 I326 L330 E331 | N324-N328 PolarHBondContact O-ND2 2.99Å; L325-N328 PolarHBondContact O-N 3.49Å; I326-N328 PolarHBondContact O-N 3.4Å; N328-L330 VanDerWaalsContact C-N 3.29Å; N328-L330 PolarHBondContact O-N 3.47Å; N328-E331 PolarHBondContact O-N 2.83Å |
| 329 | V | 89.2 | Confident | 89.1 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | 175.7 | 161.5 | 0 | 0 | 0 | 0 | 111.5 | L270 I291 I293 F318 L325 I326 E331 L332 | L270-V329 HydrophobicContact CD2-CG1 4.42Å; I291-V329 HydrophobicContact CB-CG1 4.13Å; I291-V329 HydrophobicContact CD1-CG1 4.35Å; I291-V329 HydrophobicContact CG1-CG1 3.86Å; I291-V329 HydrophobicContact CG2-CG1 3.62Å; I291-V329 HydrophobicContact CG2-CG2 4.25Å; I293-V329 HydrophobicContact CD1-CG2 4.2Å; F318-V329 HydrophobicContact CD1-CG2 4.46Å; F318-V329 HydrophobicContact CD2-CG2 3.81Å; F318-V329 HydrophobicContact CE2-CG2 3.94Å; F318-V329 HydrophobicContact CG-CG2 4.1Å; F318-V329 HydrophobicContact CZ-CG2 4.34Å; L325-V329 WeakPolarHBondContact O-CG2 3.21Å; L325-V329 PolarHBondContact O-N 3.48Å; I326-V329 PolarHBondContact O-N 2.95Å; V329-E331 PolarHBondContact O-N 3.49Å; V329-L332 HydrophobicContact CG1-CD1 4.46Å; V329-L332 WeakPolarHBondContact O-CB 3.05Å; V329-L332 WeakPolarHBondContact O-CD1 3.33Å; V329-L332 VanDerWaalsContact O-CG 3.24Å; V329-L332 WeakPolarHBondContact O-CG 3.49Å; V329-L332 PolarHBondContact O-N 2.85Å |
| 330 | L | 85.4 | Confident | 88.8 | Confident | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71 | -18.5 | 179.8 | -64.6 | 170.5 | 0 | 0 | 0 | 113.7 | I326 F327 N328 L332 V335 K336 C362 A364 | I326-L330 VanDerWaalsContact O-CG 3.25Å; I326-L330 WeakPolarHBondContact O-CG 3.3Å; I326-L330 PolarHBondContact O-N 2.97Å; I326-L330 VanDerWaalsContact O-N 3.15Å; F327-L330 PolarHBondContact O-N 3.32Å; N328-L330 VanDerWaalsContact C-N 3.29Å; N328-L330 PolarHBondContact O-N 3.47Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-V335 HydrophobicContact CD2-CG1 3.77Å; L330-K336 VanDerWaalsContact O-CA 3.32Å; L330-K336 WeakPolarHBondContact O-CA 3.27Å; L330-K336 PolarHBondContact O-N 3.45Å; L330-C362 WeakPolarHBondContact CD1-SG 3.21Å; L330-A364 HydrophobicContact CD1-CB 4.2Å; L330-A364 HydrophobicContact CD2-CB 3.55Å; L330-A364 HydrophobicContact CG-CB 4.44Å |
| 331 | E | 89.4 | Confident | 88.7 | Confident | 114 Ų | 114 | 56 Ų | 56 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -5.4 | 176.2 | -68.9 | -62.1 | 148.1 | 0 | 0 | 113.1 | N328 V329 K336 | N328-E331 PolarHBondContact O-N 2.83Å; V329-E331 PolarHBondContact O-N 3.49Å; E331-K336 WeakPolarHBondContact OE2-CE 3.43Å; E331-K336 IonicContact OE2-NZ 3.32Å; E331-K336 PolarHBondContact OE2-NZ 3.38Å |
| 332 | L | 89.1 | Confident | 88.7 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 29% | 0.293 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -62.6 | 138.1 | 172.7 | -63.1 | 171.5 | 0 | 0 | 0 | 110.1 | I291 F318 V329 L330 A334 V335 K336 | I291-L332 HydrophobicContact CD1-CD1 4.19Å; F318-L332 HydrophobicContact CE2-CD1 4Å; F318-L332 HydrophobicContact CZ-CD1 3.55Å; V329-L332 HydrophobicContact CG1-CD1 4.46Å; V329-L332 WeakPolarHBondContact O-CB 3.05Å; V329-L332 WeakPolarHBondContact O-CD1 3.33Å; V329-L332 VanDerWaalsContact O-CG 3.24Å; V329-L332 WeakPolarHBondContact O-CG 3.49Å; V329-L332 PolarHBondContact O-N 2.85Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.43Å; L332-V335 HydrophobicContact CB-CG2 4.31Å; L332-V335 PolarHBondContact O-N 3.36Å; L332-K336 WeakPolarHBondContact O-CB 3.46Å; L332-K336 PolarHBondContact O-N 2.86Å |
| 333 | D | 87.5 | Confident | 88.9 | Confident | 158 Ų | 158 | 51.1 Ų | 51.1 | 85% | 0.845 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -32.1 | -178.2 | -68.1 | -28.4 | 0 | 0 | 0 | 113.2 | V335 | D333-V335 VanDerWaalsContact C-N 3.29Å; D333-V335 PolarHBondContact O-N 3Å |
| 334 | A | 85.8 | Confident | 89 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -21.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | H289 L332 | H289-A334 HydrophobicContact CB-CB 4.48Å; L332-A334 PolarHBondContact O-N 3.43Å |
| 335 | V | 87.9 | Confident | 88.8 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -32.4 | -173.8 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | V268 I291 L330 L332 D333 G337 S338 | V268-V335 HydrophobicContact CG1-CG1 4.23Å; V268-V335 HydrophobicContact CG1-CG2 4.2Å; I291-V335 HydrophobicContact CD1-CG2 3.91Å; I291-V335 HydrophobicContact CG1-CG2 3.88Å; L330-V335 HydrophobicContact CD2-CG1 3.77Å; L332-V335 HydrophobicContact CB-CG2 4.31Å; L332-V335 PolarHBondContact O-N 3.36Å; D333-V335 VanDerWaalsContact C-N 3.29Å; D333-V335 PolarHBondContact O-N 3Å; V335-G337 PolarHBondContact O-N 3.49Å; V335-S338 VanDerWaalsContact O-CB 3.23Å; V335-S338 WeakPolarHBondContact O-CB 3.33Å; V335-S338 PolarHBondContact O-N 3.27Å |
| 336 | K | 88.5 | Confident | 88.2 | Confident | 118 Ų | 118 | 45.7 Ų | 45.7 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 120.7 | -173.9 | -174.4 | 169.5 | -175.7 | 148.4 | 0 | 111.9 | L330 E331 L332 S338 | L330-K336 VanDerWaalsContact O-CA 3.32Å; L330-K336 WeakPolarHBondContact O-CA 3.27Å; L330-K336 PolarHBondContact O-N 3.45Å; E331-K336 WeakPolarHBondContact OE2-CE 3.43Å; E331-K336 IonicContact OE2-NZ 3.32Å; E331-K336 PolarHBondContact OE2-NZ 3.38Å; L332-K336 WeakPolarHBondContact O-CB 3.46Å; L332-K336 PolarHBondContact O-N 2.86Å; K336-S338 PolarHBondContact O-N 3.48Å |
| 337 | G | 84.7 | Confident | 87.2 | Confident | 87 Ų | 87 | 51 Ų | 51 | 90% | 0.897 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -1.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V335 | V335-G337 PolarHBondContact O-N 3.49Š|
| 338 | S | 86.5 | Confident | 85.9 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | trans | -84.1 | 147.6 | 177.8 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | V335 K336 C340 | V335-S338 VanDerWaalsContact O-CB 3.23Å; V335-S338 WeakPolarHBondContact O-CB 3.33Å; V335-S338 PolarHBondContact O-N 3.27Å; K336-S338 PolarHBondContact O-N 3.48Å; S338-C340 PolarHBondContact O-N 2.88Å | ||
| 339 | K | 85.7 | Confident | 84.5 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 30% | 0.3 | 30% | 0.299 | S | S | . | . | trans | -71.1 | 126.2 | 170.6 | -174 | 176.8 | -175.8 | 179.3 | 0 | 108.8 | T264 A266 D267 V268 | T264-K339 WeakPolarHBondContact O-CD 3.32Å; T264-K339 WeakPolarHBondContact O-CE 3.35Å; T264-K339 PolarHBondContact O-NZ 2.88Å; A266-K339 HydrophobicContact CB-CG 4.29Å; A266-K339 WeakPolarHBondContact CB-O 3.31Å; D267-K339 PolarHBondContact N-O 2.85Å; V268-K339 PolarHBondContact N-O 2.83Å | ||
| 340 | C | 90.1 | Very high | 83.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 146.8 | -179.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | V268 L270 S338 A364 | V268-C340 WeakPolarHBondContact O-CA 3.31Å; L270-C340 HydrophobicContact CD1-CB 4.3Å; L270-C340 HydrophobicContact CG-CB 4.34Å; S338-C340 PolarHBondContact O-N 2.88Å; C340-A364 HydrophobicContact CB-CB 4.25Å; C340-A364 WeakPolarHBondContact CB-O 3.44Å; C340-A364 PolarHBondContact N-O 2.97Å |
| 341 | V | 91.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136.4 | 163.1 | 62.2 | 0 | 0 | 0 | 0 | 108.6 | C261 T264 A266 V268 L269 L270 Y287 F367 | C261-V341 HydrophobicContact CB-CG1 4.35Å; C261-V341 HydrophobicContact CB-CG2 4.19Å; T264-V341 HydrophobicContact CG2-CG2 4.2Å; A266-V341 HydrophobicContact CB-CB 3.88Å; A266-V341 HydrophobicContact CB-CG1 3.83Å; V268-V341 PolarHBondContact O-N 3.08Å; L269-V341 HydrophobicContact CD1-CG1 3.9Å; L270-V341 PolarHBondContact N-O 3.3Å; Y287-V341 HydrophobicContact CE1-CG1 3.57Å; V341-F367 HydrophobicContact CG2-CB 4.2Å; V341-F367 HydrophobicContact CG2-CD1 3.81Å; V341-F367 HydrophobicContact CG2-CG 4.48Å |
| 342 | A | 92.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | L270 I272 V365 F367 L368 V369 | L270-A342 HydrophobicContact CB-CB 4.2Å; L270-A342 WeakPolarHBondContact O-CA 3.23Å; I272-A342 HydrophobicContact CD1-CB 4.02Å; A342-V365 HydrophobicContact CB-CB 4.44Å; A342-V365 HydrophobicContact CB-CG1 3.59Å; A342-V365 HydrophobicContact CB-CG2 3.88Å; A342-F367 PolarHBondContact N-O 2.89Å; A342-L368 HydrophobicContact CB-CD1 3.66Å; A342-L368 CarbonylContact O-C 3.58Å; A342-L368 WeakPolarHBondContact O-CA 3.39Å; A342-V369 PolarHBondContact O-N 3.3Å |
| 343 | V | 93.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125 | 169.8 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | V257 L269 L270 I272 L279 T345 V369 I371 | V257-V343 HydrophobicContact CG1-CG1 4.03Å; V257-V343 HydrophobicContact CG1-CG2 3.82Å; L269-V343 HydrophobicContact CD1-CB 4.44Å; L269-V343 HydrophobicContact CD1-CG2 3.65Å; L270-V343 PolarHBondContact O-N 3.12Å; I272-V343 PolarHBondContact N-O 2.77Å; L279-V343 HydrophobicContact CD1-CG1 3.8Å; L279-V343 HydrophobicContact CD2-CB 4.14Å; L279-V343 HydrophobicContact CD2-CG1 3.97Å; L279-V343 HydrophobicContact CD2-CG2 4.33Å; V343-T345 HydrophobicContact CG1-CG2 4.46Å; V343-V369 CarbonylContact C-O 3.53Å; V343-V369 WeakPolarHBondContact CA-O 3.5Å; V343-V369 HydrophobicContact CG1-CB 4.32Å; V343-V369 HydrophobicContact CG1-CG1 4.43Å; V343-V369 HydrophobicContact CG2-CB 4.15Å; V343-V369 HydrophobicContact CG2-CG2 4.49Å; V343-I371 HydrophobicContact CG1-CD1 3.74Å; V343-I371 HydrophobicContact CG1-CG1 4.41Å |
| 344 | L | 90.4 | Very high | 82 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 112.2 | -175.4 | -155.4 | 63.8 | 0 | 0 | 0 | 108.4 | I272 F273 P346 I351 L359 L368 V369 Y370 I371 | I272-L344 HydrophobicContact CB-CD1 3.53Å; I272-L344 HydrophobicContact CD1-CD1 4.1Å; I272-L344 HydrophobicContact CG1-CD1 4.42Å; I272-L344 HydrophobicContact CG2-CD1 3.31Å; F273-L344 HydrophobicContact CD2-CD1 3.73Å; F273-L344 HydrophobicContact CD2-CG 4.13Å; F273-L344 HydrophobicContact CE2-CD1 3.49Å; F273-L344 VanDerWaalsContact CE2-CD1 3.49Å; F273-L344 HydrophobicContact CE2-CG 3.95Å; L344-P346 WeakPolarHBondContact O-CD 3.5Å; L344-I351 HydrophobicContact CD2-CD1 3.24Å; L344-I351 HydrophobicContact CD2-CG1 4.49Å; L344-I351 HydrophobicContact CG-CD1 3.78Å; L344-L359 HydrophobicContact CD1-CD1 4.11Å; L344-L359 HydrophobicContact CD2-CD1 3.75Å; L344-L368 HydrophobicContact CB-CD1 4.18Å; L344-V369 PolarHBondContact N-O 2.83Å; L344-Y370 HydrophobicContact CD2-CD2 3.89Å; L344-Y370 HydrophobicContact CD2-CE2 4.12Å; L344-I371 PolarHBondContact O-N 3.07Å |
| 345 | T | 87.3 | Confident | 82 | Confident | 32 Ų | 32 | 55.8 Ų | 55.8 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | trans | -110.9 | 59.3 | 178.1 | 44.2 | 0 | 0 | 0 | 0 | 111.6 | I272 F273 L279 V343 I371 | I272-T345 PolarHBondContact O-N 2.87Å; I272-T345 PolarHBondContact O-OG1 2.93Å; F273-T345 VanDerWaalsContact CB-O 3.3Å; F273-T345 WeakPolarHBondContact CB-O 3.32Å; F273-T345 PolarHBondContact O-OG1 3.36Å; L279-T345 HydrophobicContact CD1-CG2 4.01Å; V343-T345 HydrophobicContact CG1-CG2 4.46Å; T345-I371 HydrophobicContact CG2-CB 4.11Å; T345-I371 HydrophobicContact CG2-CD1 3.64Å; T345-I371 HydrophobicContact CG2-CG1 4.32Å | ||
| 346 | P | 78.2 | Confident | 81.6 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 13% | 0.13 | 30% | 0.3 | C | S | . | . | trans | -57.9 | 150.4 | -178 | 29.4 | -37.2 | 0 | 0 | 0 | 111.5 | F273 L344 I351 Y370 I371 | F273-P346 HydrophobicContact CD2-CB 4.17Å; F273-P346 HydrophobicContact CE2-CB 4.2Å; L344-P346 WeakPolarHBondContact O-CD 3.5Å; P346-I351 HydrophobicContact CB-CD1 3.55Å; P346-I351 HydrophobicContact CB-CG1 3.47Å; P346-I351 VanDerWaalsContact CB-CG1 3.47Å; P346-I351 HydrophobicContact CG-CD1 3.55Å; P346-I351 HydrophobicContact CG-CG1 4.03Å; P346-Y370 HydrophobicContact CG-CE1 4.1Å; P346-Y370 HydrophobicContact CG-CE2 4.44Å; P346-I371 WeakPolarHBondContact CD-O 3.39Å | ||
| 347 | T | 69 | Low | 80.9 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 68% | 0.681 | 30% | 0.295 | S | S | * | . | trans | -63.4 | 177.3 | 168.7 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | A349 | T347-A349 PolarHBondContact O-N 3.05Å; T347-A349 VanDerWaalsContact O-O 3.06Å | ||
| 348 | R | 60.4 | Low | 80.7 | Confident | 183 Ų | 183 | 50.1 Ų | 50.1 | 69% | 0.691 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -57.2 | -0.9 | -177.7 | -62.9 | -178.1 | 178.3 | -176.6 | 1.1 | 115.6 | R377 | R348-R377 VanDerWaalsContact O-CD 3.29Å; R348-R377 WeakPolarHBondContact O-CD 3.45Å; R348-R377 PolarHBondContact O-NH1 3.45Å |
| 349 | A | 62.1 | Low | 80.5 | Confident | 53 Ų | 53 | 49 Ų | 49 | 44% | 0.438 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -93.2 | 154.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T347 | T347-A349 PolarHBondContact O-N 3.05Å; T347-A349 VanDerWaalsContact O-O 3.06Å |
| 350 | E | 67.4 | Low | 80 | Confident | 104 Ų | 104 | 49.7 Ų | 49.7 | 49% | 0.486 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 140.5 | 165.9 | -74.4 | 171.8 | -151.9 | 0 | 0 | 109.9 | R377 | E350-R377 HydrophobicContact CG-CB 4.38Å; E350-R377 VanDerWaalsContact CG-O 3.23Å; E350-R377 WeakPolarHBondContact CG-O 3.36Å |
| 351 | I | 79 | Confident | 79.3 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 135.8 | 174.6 | -72.2 | 155 | 0 | 0 | 0 | 109.4 | F273 L344 P346 V355 I356 Y370 N381 | F273-I351 HydrophobicContact CE2-CD1 4.31Å; F273-I351 HydrophobicContact CE2-CG1 4.12Å; F273-I351 HydrophobicContact CZ-CG1 4.43Å; L344-I351 HydrophobicContact CD2-CD1 3.24Å; L344-I351 HydrophobicContact CD2-CG1 4.49Å; L344-I351 HydrophobicContact CG-CD1 3.78Å; P346-I351 HydrophobicContact CB-CD1 3.55Å; P346-I351 HydrophobicContact CB-CG1 3.47Å; P346-I351 VanDerWaalsContact CB-CG1 3.47Å; P346-I351 HydrophobicContact CG-CD1 3.55Å; P346-I351 HydrophobicContact CG-CG1 4.03Å; I351-V355 HydrophobicContact CG2-CB 3.41Å; I351-V355 VanDerWaalsContact CG2-CB 3.41Å; I351-V355 HydrophobicContact CG2-CG1 3.22Å; I351-V355 HydrophobicContact CG2-CG2 4.22Å; I351-I356 HydrophobicContact CB-CD1 4.4Å; I351-I356 HydrophobicContact CG2-CD1 3.94Å; I351-I356 HydrophobicContact CG2-CG1 4.24Å; I351-Y370 HydrophobicContact CD1-CD2 4.17Å; I351-Y370 HydrophobicContact CD1-CE2 3.29Å; I351-N381 PolarHBondContact N-OD1 3.36Å; I351-N381 PolarHBondContact O-ND2 2.87Å |
| 352 | D | 80.9 | Confident | 78.5 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 145.3 | 178.5 | -166.8 | -76.4 | 0 | 0 | 0 | 111.5 | K354 V355 I356 | D352-K354 PolarHBondContact O-N 3.4Å; D352-K354 WeakPolarHBondContact OD1-CB 3.21Å; D352-K354 WeakPolarHBondContact OD1-CG 3.33Å; D352-K354 PolarHBondContact OD1-N 3Å; D352-V355 WeakPolarHBondContact O-CB 3.4Å; D352-V355 PolarHBondContact O-N 3.46Å; D352-I356 PolarHBondContact O-N 2.96Å |
| 353 | Q | 78.4 | Confident | 77.5 | Confident | 116 Ų | 116 | 61.6 Ų | 61.6 | 54% | 0.542 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.9 | -29.2 | -179 | -169 | 165.3 | 4 | 0 | 0 | 112.8 | V355 I356 I357 | Q353-V355 VanDerWaalsContact C-N 3.31Å; Q353-V355 PolarHBondContact O-N 3.29Å; Q353-I356 PolarHBondContact O-N 3.3Å; Q353-I357 HydrophobicContact CG-CD1 4.17Å; Q353-I357 VanDerWaalsContact O-CG1 3.32Å; Q353-I357 WeakPolarHBondContact O-CG1 3.05Å; Q353-I357 PolarHBondContact O-N 2.94Å |
| 354 | K | 81.5 | Confident | 76.6 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 56% | 0.557 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 174.4 | -64.7 | -179.5 | -175 | 178.9 | 0 | 112.3 | E323 D352 I357 A358 | E323-K354 HydrophobicContact CB-CB 4.3Å; E323-K354 HydrophobicContact CG-CB 4.11Å; D352-K354 PolarHBondContact O-N 3.4Å; D352-K354 WeakPolarHBondContact OD1-CB 3.21Å; D352-K354 WeakPolarHBondContact OD1-CG 3.33Å; D352-K354 PolarHBondContact OD1-N 3Å; K354-I357 PolarHBondContact O-N 3.37Å; K354-A358 WeakPolarHBondContact O-CB 3.24Å; K354-A358 PolarHBondContact O-N 3.48Å |
| 355 | V | 85.7 | Confident | 76 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | F273 L322 E323 I351 D352 Q353 I357 A358 L359 | F273-V355 HydrophobicContact CZ-CG1 4.41Å; L322-V355 HydrophobicContact CB-CG2 4.4Å; L322-V355 HydrophobicContact CD2-CG1 3.61Å; E323-V355 WeakPolarHBondContact OE2-CG2 3.39Å; I351-V355 HydrophobicContact CG2-CB 3.41Å; I351-V355 VanDerWaalsContact CG2-CB 3.41Å; I351-V355 HydrophobicContact CG2-CG1 3.22Å; I351-V355 HydrophobicContact CG2-CG2 4.22Å; D352-V355 WeakPolarHBondContact O-CB 3.4Å; D352-V355 PolarHBondContact O-N 3.46Å; Q353-V355 VanDerWaalsContact C-N 3.31Å; Q353-V355 PolarHBondContact O-N 3.29Å; V355-I357 PolarHBondContact O-N 2.89Å; V355-A358 PolarHBondContact O-N 3.21Å; V355-L359 HydrophobicContact CG1-CD1 4.02Å; V355-L359 WeakPolarHBondContact O-CB 3.45Å; V355-L359 WeakPolarHBondContact O-CG 3.37Å; V355-L359 PolarHBondContact O-N 2.9Å |
| 356 | I | 80.2 | Confident | 75.1 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 175.9 | -58.7 | -59 | 0 | 0 | 0 | 111.2 | I351 D352 Q353 L359 R360 N381 D384 L385 | I351-I356 HydrophobicContact CB-CD1 4.4Å; I351-I356 HydrophobicContact CG2-CD1 3.94Å; I351-I356 HydrophobicContact CG2-CG1 4.24Å; D352-I356 PolarHBondContact O-N 2.96Å; Q353-I356 PolarHBondContact O-N 3.3Å; I356-L359 PolarHBondContact O-N 3.33Å; I356-R360 HydrophobicContact CG2-CG 4.46Å; I356-R360 WeakPolarHBondContact O-CB 3.34Å; I356-R360 VanDerWaalsContact O-CG 3.27Å; I356-R360 WeakPolarHBondContact O-CG 3.42Å; I356-R360 PolarHBondContact O-N 3.05Å; I356-N381 HydrophobicContact CD1-CB 4.41Å; I356-D384 HydrophobicContact CG2-CB 4.06Å; I356-L385 HydrophobicContact CD1-CD1 4.16Å; I356-L385 HydrophobicContact CD1-CD2 3.98Å; I356-L385 HydrophobicContact CD1-CG 3.96Å; I356-L385 HydrophobicContact CG2-CD2 4.01Å; I356-L385 HydrophobicContact CG2-CG 4.37Å |
| 357 | I | 74.3 | Confident | 75.2 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 41% | 0.41 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 177.3 | -69.2 | 163.7 | 0 | 0 | 0 | 110.3 | Q353 K354 V355 L359 R360 E361 | Q353-I357 HydrophobicContact CG-CD1 4.17Å; Q353-I357 VanDerWaalsContact O-CG1 3.32Å; Q353-I357 WeakPolarHBondContact O-CG1 3.05Å; Q353-I357 PolarHBondContact O-N 2.94Å; K354-I357 PolarHBondContact O-N 3.37Å; V355-I357 PolarHBondContact O-N 2.89Å; I357-L359 VanDerWaalsContact C-N 3.32Å; I357-L359 PolarHBondContact O-N 3.33Å; I357-R360 PolarHBondContact O-N 3.09Å; I357-R360 VanDerWaalsContact O-N 3.08Å; I357-E361 HydrophobicContact CG2-CG 4.26Å; I357-E361 WeakPolarHBondContact O-CB 3.39Å; I357-E361 WeakPolarHBondContact O-CG 3.33Å; I357-E361 PolarHBondContact O-N 3.25Å |
| 358 | A | 80.2 | Confident | 75.9 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.3 | -40.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E323 I326 K354 V355 E361 C362 | E323-A358 HydrophobicContact CB-CB 3.9Å; I326-A358 HydrophobicContact CG2-CB 4.09Å; K354-A358 WeakPolarHBondContact O-CB 3.24Å; K354-A358 PolarHBondContact O-N 3.48Å; V355-A358 PolarHBondContact O-N 3.21Å; A358-E361 PolarHBondContact O-N 3.26Å; A358-C362 WeakPolarHBondContact O-CB 3.34Å; A358-C362 PolarHBondContact O-N 3.32Å |
| 359 | L | 82.5 | Confident | 77.2 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 173.9 | -75.2 | 170.4 | 0 | 0 | 0 | 112.3 | I272 L322 I326 L344 V355 I356 I357 E361 C362 L368 | I272-L359 HydrophobicContact CD1-CD2 3.73Å; L322-L359 HydrophobicContact CD2-CD1 4.32Å; L322-L359 HydrophobicContact CD2-CD2 4.01Å; L322-L359 HydrophobicContact CD2-CG 3.94Å; I326-L359 HydrophobicContact CD1-CD2 3.94Å; L344-L359 HydrophobicContact CD1-CD1 4.11Å; L344-L359 HydrophobicContact CD2-CD1 3.75Å; V355-L359 HydrophobicContact CG1-CD1 4.02Å; V355-L359 WeakPolarHBondContact O-CB 3.45Å; V355-L359 WeakPolarHBondContact O-CG 3.37Å; V355-L359 PolarHBondContact O-N 2.9Å; I356-L359 PolarHBondContact O-N 3.33Å; I357-L359 VanDerWaalsContact C-N 3.32Å; I357-L359 PolarHBondContact O-N 3.33Å; L359-E361 VanDerWaalsContact C-N 3.34Å; L359-C362 WeakPolarHBondContact O-CB 3.07Å; L359-C362 PolarHBondContact O-N 3.38Å; L359-L368 HydrophobicContact CD1-CD1 4.48Å; L359-L368 HydrophobicContact CD1-CD2 4.46Å |
| 360 | R | 75.2 | Confident | 78.5 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 32% | 0.317 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70 | -30.8 | 177.6 | -71.9 | 174.9 | 71.8 | 107 | -1.7 | 112.8 | I356 I357 C362 D384 L385 H386 | I356-R360 HydrophobicContact CG2-CG 4.46Å; I356-R360 WeakPolarHBondContact O-CB 3.34Å; I356-R360 VanDerWaalsContact O-CG 3.27Å; I356-R360 WeakPolarHBondContact O-CG 3.42Å; I356-R360 PolarHBondContact O-N 3.05Å; I357-R360 PolarHBondContact O-N 3.09Å; I357-R360 VanDerWaalsContact O-N 3.08Å; R360-C362 VanDerWaalsContact C-N 3.32Å; R360-D384 PolarHBondContact NH1-O 3.4Å; R360-L385 VanDerWaalsContact NH1-C 3.34Å; R360-L385 PolarHBondContact NH1-O 2.84Å; R360-H386 PolarHBondContact NH1-O 2.91Å |
| 361 | E | 75 | Confident | 79.5 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -78.6 | -18.4 | 175.2 | -71.9 | -178.8 | 174.4 | 0 | 0 | 112.7 | F327 I357 A358 L359 K363 | F327-E361 HydrophobicContact CE1-CB 4.22Å; F327-E361 HydrophobicContact CZ-CB 3.81Å; I357-E361 HydrophobicContact CG2-CG 4.26Å; I357-E361 WeakPolarHBondContact O-CB 3.39Å; I357-E361 WeakPolarHBondContact O-CG 3.33Å; I357-E361 PolarHBondContact O-N 3.25Å; A358-E361 PolarHBondContact O-N 3.26Å; L359-E361 VanDerWaalsContact C-N 3.34Å; E361-K363 PolarHBondContact O-N 3.48Å |
| 362 | C | 74.1 | Confident | 79.8 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | trans | -74.1 | 92.7 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 112 | I326 L330 A358 L359 R360 A364 V365 | I326-C362 HydrophobicContact CD1-CB 3.83Å; I326-C362 HydrophobicContact CG1-CB 4.48Å; L330-C362 WeakPolarHBondContact CD1-SG 3.21Å; A358-C362 WeakPolarHBondContact O-CB 3.34Å; A358-C362 PolarHBondContact O-N 3.32Å; L359-C362 WeakPolarHBondContact O-CB 3.07Å; L359-C362 PolarHBondContact O-N 3.38Å; R360-C362 VanDerWaalsContact C-N 3.32Å; C362-A364 PolarHBondContact O-N 2.88Å; C362-A364 VanDerWaalsContact O-N 3.11Å; C362-V365 HydrophobicContact CB-CB 4.37Å; C362-V365 HydrophobicContact CB-CG2 4.38Å; C362-V365 PolarHBondContact O-N 2.86Å; C362-V365 VanDerWaalsContact O-N 3.1Å; C362-V365 WeakPolarHBondContact SG-CG2 3.32Å | ||
| 363 | K | 71.4 | Confident | 79.7 | Confident | 141 Ų | 141 | 55.4 Ų | 55.4 | 61% | 0.613 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | 179.7 | -63.2 | 177.7 | -175.7 | 171.3 | 0 | 114.7 | E361 | E361-K363 PolarHBondContact O-N 3.48Š|
| 364 | A | 76.1 | Confident | 79.8 | Confident | 26 Ų | 26 | 52.8 Ų | 52.8 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -26.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L330 C340 C362 L366 | L330-A364 HydrophobicContact CD1-CB 4.2Å; L330-A364 HydrophobicContact CD2-CB 3.55Å; L330-A364 HydrophobicContact CG-CB 4.44Å; C340-A364 HydrophobicContact CB-CB 4.25Å; C340-A364 WeakPolarHBondContact CB-O 3.44Å; C340-A364 PolarHBondContact N-O 2.97Å; C362-A364 PolarHBondContact O-N 2.88Å; C362-A364 VanDerWaalsContact O-N 3.11Å; A364-L366 PolarHBondContact O-N 3.43Å |
| 365 | V | 76.5 | Confident | 79.7 | Confident | 20 Ų | 20 | 49.8 Ų | 49.8 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 99.6 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 109 | L270 A342 C362 | L270-V365 HydrophobicContact CD1-CG2 3.51Å; A342-V365 HydrophobicContact CB-CB 4.44Å; A342-V365 HydrophobicContact CB-CG1 3.59Å; A342-V365 HydrophobicContact CB-CG2 3.88Å; C362-V365 HydrophobicContact CB-CB 4.37Å; C362-V365 HydrophobicContact CB-CG2 4.38Å; C362-V365 PolarHBondContact O-N 2.86Å; C362-V365 VanDerWaalsContact O-N 3.1Å; C362-V365 WeakPolarHBondContact SG-CG2 3.32Å |
| 366 | L | 69.2 | Low | 79.3 | Confident | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.366 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -17.9 | 177.3 | -63.3 | 175.3 | 0 | 0 | 0 | 112.7 | A364 L585 | A364-L366 PolarHBondContact O-N 3.43Å; L366-L585 HydrophobicContact CD2-CD1 4.41Å; L366-L585 HydrophobicContact CD2-CD2 4.11Å; L366-L585 HydrophobicContact CD2-CG 4.2Å |
| 367 | F | 79.3 | Confident | 79.2 | Confident | 64 Ų | 64 | 60.9 Ų | 60.9 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 129.9 | -179.1 | -166.3 | -91.2 | 0 | 0 | 0 | 109.4 | L260 T264 V341 A342 V369 | L260-F367 HydrophobicContact CB-CE1 4.49Å; T264-F367 HydrophobicContact CG2-CB 3.59Å; T264-F367 HydrophobicContact CG2-CD1 3.64Å; T264-F367 HydrophobicContact CG2-CD2 4Å; T264-F367 HydrophobicContact CG2-CE1 4.27Å; T264-F367 HydrophobicContact CG2-CG 3.48Å; T264-F367 VanDerWaalsContact CG2-CG 3.48Å; V341-F367 HydrophobicContact CG2-CB 4.2Å; V341-F367 HydrophobicContact CG2-CD1 3.81Å; V341-F367 HydrophobicContact CG2-CG 4.48Å; A342-F367 PolarHBondContact N-O 2.89Å; F367-V369 HydrophobicContact CD1-CG2 4.05Å; F367-V369 HydrophobicContact CE1-CG2 3.61Å |
| 368 | L | 85.7 | Confident | 79.4 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 121.7 | -177.6 | -178.8 | 69.4 | 0 | 0 | 0 | 109.3 | A342 L344 L359 L385 | A342-L368 HydrophobicContact CB-CD1 3.66Å; A342-L368 CarbonylContact O-C 3.58Å; A342-L368 WeakPolarHBondContact O-CA 3.39Å; L344-L368 HydrophobicContact CB-CD1 4.18Å; L359-L368 HydrophobicContact CD1-CD1 4.48Å; L359-L368 HydrophobicContact CD1-CD2 4.46Å; L368-L385 HydrophobicContact CD2-CD1 3.77Å; L368-L385 HydrophobicContact CD2-CD2 3.76Å; L368-L385 HydrophobicContact CD2-CG 4.39Å |
| 369 | V | 87.2 | Confident | 79.4 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.6 | 168.5 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | V257 L260 A342 V343 L344 F367 I371 | V257-V369 HydrophobicContact CG1-CG1 4.33Å; V257-V369 HydrophobicContact CG2-CG1 4.34Å; L260-V369 HydrophobicContact CB-CG2 4.32Å; L260-V369 HydrophobicContact CD1-CG1 4.39Å; A342-V369 PolarHBondContact O-N 3.3Å; V343-V369 CarbonylContact C-O 3.53Å; V343-V369 WeakPolarHBondContact CA-O 3.5Å; V343-V369 HydrophobicContact CG1-CB 4.32Å; V343-V369 HydrophobicContact CG1-CG1 4.43Å; V343-V369 HydrophobicContact CG2-CB 4.15Å; V343-V369 HydrophobicContact CG2-CG2 4.49Å; L344-V369 PolarHBondContact N-O 2.83Å; F367-V369 HydrophobicContact CD1-CG2 4.05Å; F367-V369 HydrophobicContact CE1-CG2 3.61Å; V369-I371 HydrophobicContact CG1-CG1 4.28Å |
| 370 | Y | 88.4 | Confident | 79.3 | Confident | 53 Ų | 53 | 63 Ų | 63 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.1 | 178.5 | -171.6 | -70.4 | 0 | 0 | 0 | 109.8 | L344 P346 I351 N381 L385 | L344-Y370 HydrophobicContact CD2-CD2 3.89Å; L344-Y370 HydrophobicContact CD2-CE2 4.12Å; P346-Y370 HydrophobicContact CG-CE1 4.1Å; P346-Y370 HydrophobicContact CG-CE2 4.44Å; I351-Y370 HydrophobicContact CD1-CD2 4.17Å; I351-Y370 HydrophobicContact CD1-CE2 3.29Å; Y370-N381 HydrophobicContact CE2-CB 3.79Å; Y370-N381 PolarHBondContact OH-OD1 3.38Å; Y370-L385 HydrophobicContact CD2-CD1 4.01Å; Y370-L385 HydrophobicContact CE2-CD1 4.44Å |
| 371 | I | 89.1 | Confident | 79.5 | Confident | 30 Ų | 30 | 59 Ų | 59 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | trans | -107 | 119.5 | -179.6 | -60.5 | 175.9 | 0 | 0 | 0 | 109.3 | L253 V257 L279 V343 L344 T345 P346 V369 | L253-I371 HydrophobicContact CD1-CG2 4.35Å; L253-I371 HydrophobicContact CD2-CG2 4.08Å; V257-I371 HydrophobicContact CG2-CD1 3.56Å; V257-I371 HydrophobicContact CG2-CG1 4.33Å; L279-I371 HydrophobicContact CD1-CD1 3.78Å; V343-I371 HydrophobicContact CG1-CD1 3.74Å; V343-I371 HydrophobicContact CG1-CG1 4.41Å; L344-I371 PolarHBondContact O-N 3.07Å; T345-I371 HydrophobicContact CG2-CB 4.11Å; T345-I371 HydrophobicContact CG2-CD1 3.64Å; T345-I371 HydrophobicContact CG2-CG1 4.32Å; P346-I371 WeakPolarHBondContact CD-O 3.39Å; V369-I371 HydrophobicContact CG1-CG1 4.28Å | ||
| 372 | S | 84.4 | Confident | 79.6 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -123.2 | 132.2 | 177.5 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | N374 | S372-N374 PolarHBondContact OG-N 2.95Å; S372-N374 VanDerWaalsContact OG-N 3.08Å; S372-N374 PolarHBondContact OG-O 3.05Å | ||
| 373 | C | 80.3 | Confident | 79.4 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 69% | 0.689 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -88.3 | -6.5 | 165.3 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 374 | N | 80.2 | Confident | 79.5 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 33% | 0.326 | 28% | 0.278 | S | S | . | . | trans | -135.6 | 97.3 | 177 | -174 | -41.2 | 0 | 0 | 0 | 109.6 | S372 M376 R377 S378 | S372-N374 PolarHBondContact OG-N 2.95Å; S372-N374 VanDerWaalsContact OG-N 3.08Å; S372-N374 PolarHBondContact OG-O 3.05Å; N374-M376 VanDerWaalsContact C-N 3.3Å; N374-M376 PolarHBondContact O-N 3.48Å; N374-M376 PolarHBondContact OD1-N 3.32Å; N374-R377 HydrophobicContact CB-CB 4.35Å; N374-R377 HydrophobicContact CB-CG 4.49Å; N374-R377 PolarHBondContact O-N 3.15Å; N374-R377 PolarHBondContact OD1-N 2.92Å; N374-R377 VanDerWaalsContact OD1-N 3.08Å; N374-S378 PolarHBondContact O-N 3.41Å | ||
| 375 | I | 78.6 | Confident | 79.3 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | -174.4 | -157.8 | 171.7 | 0 | 0 | 0 | 111.7 | F43 R377 S378 K379 | F43-I375 HydrophobicContact CB-CD1 3.9Å; F43-I375 HydrophobicContact CB-CG1 4.37Å; F43-I375 HydrophobicContact CD1-CD1 3.26Å; F43-I375 HydrophobicContact CD1-CG1 3.31Å; F43-I375 HydrophobicContact CD2-CB 4.48Å; F43-I375 HydrophobicContact CD2-CD1 4.34Å; F43-I375 HydrophobicContact CD2-CG1 3.87Å; F43-I375 HydrophobicContact CD2-CG2 4.15Å; F43-I375 HydrophobicContact CE1-CD1 3.77Å; F43-I375 HydrophobicContact CE1-CG1 3.32Å; F43-I375 HydrophobicContact CE2-CB 4.48Å; F43-I375 HydrophobicContact CE2-CG1 3.88Å; F43-I375 WeakPolarHBondContact CE2-O 3.45Å; F43-I375 HydrophobicContact CG-CD1 3.56Å; F43-I375 HydrophobicContact CG-CG1 3.57Å; F43-I375 HydrophobicContact CG-CG2 4.3Å; F43-I375 HydrophobicContact CZ-CD1 4.47Å; F43-I375 HydrophobicContact CZ-CG1 3.59Å; F43-I375 WeakPolarHBondContact CZ-O 3.36Å; I375-R377 PolarHBondContact O-N 3.21Å; I375-S378 PolarHBondContact O-N 2.91Å; I375-S378 PolarHBondContact O-OG 2.97Å; I375-K379 PolarHBondContact O-N 3.37Å |
| 376 | M | 78.3 | Confident | 78.6 | Confident | 119 Ų | 119 | 55.8 Ų | 55.8 | 59% | 0.586 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | -179.3 | -63.4 | -55.5 | -67.1 | 0 | 0 | 113.1 | F43 N374 S378 K379 | F43-M376 HydrophobicContact CD2-SD 3.79Å; F43-M376 HydrophobicContact CE2-SD 4.3Å; N374-M376 VanDerWaalsContact C-N 3.3Å; N374-M376 PolarHBondContact O-N 3.48Å; N374-M376 PolarHBondContact OD1-N 3.32Å; M376-S378 VanDerWaalsContact C-N 3.3Å; M376-S378 PolarHBondContact O-N 2.93Å; M376-K379 WeakPolarHBondContact O-CB 3.47Å; M376-K379 PolarHBondContact O-N 3.09Å |
| 377 | R | 76.6 | Confident | 77.8 | Confident | 128 Ų | 128 | 53.5 Ų | 53.5 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.8 | -29.1 | 176.5 | -70.9 | -175.1 | 178.7 | -170 | -4 | 112.3 | R348 E350 N374 I375 K379 | R348-R377 VanDerWaalsContact O-CD 3.29Å; R348-R377 WeakPolarHBondContact O-CD 3.45Å; R348-R377 PolarHBondContact O-NH1 3.45Å; E350-R377 HydrophobicContact CG-CB 4.38Å; E350-R377 VanDerWaalsContact CG-O 3.23Å; E350-R377 WeakPolarHBondContact CG-O 3.36Å; N374-R377 HydrophobicContact CB-CB 4.35Å; N374-R377 HydrophobicContact CB-CG 4.49Å; N374-R377 PolarHBondContact O-N 3.15Å; N374-R377 PolarHBondContact OD1-N 2.92Å; N374-R377 VanDerWaalsContact OD1-N 3.08Å; I375-R377 PolarHBondContact O-N 3.21Å; R377-K379 VanDerWaalsContact C-N 3.26Å; R377-K379 PolarHBondContact O-N 3.49Å |
| 378 | S | 79.4 | Confident | 76.4 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.9 | -14.1 | 179.4 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | N374 I375 M376 K380 N381 M382 | N374-S378 PolarHBondContact O-N 3.41Å; I375-S378 PolarHBondContact O-N 2.91Å; I375-S378 PolarHBondContact O-OG 2.97Å; M376-S378 VanDerWaalsContact C-N 3.3Å; M376-S378 PolarHBondContact O-N 2.93Å; S378-K380 PolarHBondContact O-N 3.24Å; S378-N381 PolarHBondContact O-N 3.42Å; S378-N381 VanDerWaalsContact O-N 3.09Å; S378-M382 WeakPolarHBondContact O-CG 3.36Å; S378-M382 PolarHBondContact O-N 3.3Å |
| 379 | K | 81 | Confident | 75 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -49.8 | -50.3 | -176.1 | 175.1 | 165.8 | -172.3 | -176.7 | 0 | 113.2 | F43 D46 V47 I375 M376 R377 N381 M382 I383 | F43-K379 HydrophobicContact CE2-CB 3.97Å; F43-K379 HydrophobicContact CZ-CB 4.17Å; D46-K379 IonicContact OD1-NZ 3.02Å; D46-K379 PolarHBondContact OD1-NZ 3.43Å; D46-K379 WeakPolarHBondContact OD2-CE 3.29Å; D46-K379 IonicContact OD2-NZ 3.05Å; D46-K379 PolarHBondContact OD2-NZ 2.84Å; V47-K379 HydrophobicContact CG2-CB 4.11Å; V47-K379 HydrophobicContact CG2-CD 4.13Å; V47-K379 HydrophobicContact CG2-CG 3.8Å; I375-K379 PolarHBondContact O-N 3.37Å; M376-K379 WeakPolarHBondContact O-CB 3.47Å; M376-K379 PolarHBondContact O-N 3.09Å; R377-K379 VanDerWaalsContact C-N 3.26Å; R377-K379 PolarHBondContact O-N 3.49Å; K379-N381 PolarHBondContact O-N 3.49Å; K379-M382 PolarHBondContact O-N 2.86Å; K379-I383 HydrophobicContact CG-CD1 3.81Å; K379-I383 WeakPolarHBondContact O-CD1 3.34Å; K379-I383 VanDerWaalsContact O-CG1 3.3Å; K379-I383 WeakPolarHBondContact O-CG1 3.37Å; K379-I383 PolarHBondContact O-N 3.05Å |
| 380 | K | 78.6 | Confident | 73.6 | Confident | 82 Ų | 82 | 56.7 Ų | 56.7 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | -179.2 | -175.2 | -178.5 | -177.9 | -63.1 | 0 | 111.4 | S378 M382 I383 D384 | S378-K380 PolarHBondContact O-N 3.24Å; K380-M382 VanDerWaalsContact C-N 3.33Å; K380-M382 PolarHBondContact O-N 3.37Å; K380-I383 PolarHBondContact O-N 3.22Å; K380-D384 IonicContact NZ-OD2 3.88Å; K380-D384 PolarHBondContact NZ-OD2 2.91Å; K380-D384 VanDerWaalsContact O-CG 3.29Å; K380-D384 PolarHBondContact O-N 2.89Å |
| 381 | N | 80.2 | Confident | 72.3 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 178.7 | -64.2 | 149.5 | 0 | 0 | 0 | 112.2 | I351 I356 Y370 S378 K379 I383 D384 L385 | I351-N381 PolarHBondContact N-OD1 3.36Å; I351-N381 PolarHBondContact O-ND2 2.87Å; I356-N381 HydrophobicContact CD1-CB 4.41Å; Y370-N381 HydrophobicContact CE2-CB 3.79Å; Y370-N381 PolarHBondContact OH-OD1 3.38Å; S378-N381 PolarHBondContact O-N 3.42Å; S378-N381 VanDerWaalsContact O-N 3.09Å; K379-N381 PolarHBondContact O-N 3.49Å; N381-I383 VanDerWaalsContact C-N 3.35Å; N381-D384 PolarHBondContact O-N 2.85Å; N381-L385 WeakPolarHBondContact O-CB 3.45Å; N381-L385 WeakPolarHBondContact O-CD1 3.2Å; N381-L385 WeakPolarHBondContact O-CG 3.29Å; N381-L385 PolarHBondContact O-N 3.03Å |
| 382 | M | 76.4 | Confident | 71.6 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 34% | 0.335 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 175 | -67.6 | -177.8 | 79.8 | 0 | 0 | 112 | F43 V47 S378 K379 K380 H386 | F43-M382 HydrophobicContact CE1-CE 4.48Å; F43-M382 HydrophobicContact CE1-SD 3.63Å; F43-M382 HydrophobicContact CZ-SD 3.87Å; V47-M382 HydrophobicContact CG1-CB 4.01Å; V47-M382 HydrophobicContact CG1-SD 4.41Å; S378-M382 WeakPolarHBondContact O-CG 3.36Å; S378-M382 PolarHBondContact O-N 3.3Å; K379-M382 PolarHBondContact O-N 2.86Å; K380-M382 VanDerWaalsContact C-N 3.33Å; K380-M382 PolarHBondContact O-N 3.37Å; M382-H386 PolarHBondContact O-N 3.41Å |
| 383 | I | 71.2 | Confident | 71.5 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 18% | 0.179 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 175.7 | -62.9 | 159.7 | 0 | 0 | 0 | 110.6 | V47 A50 M51 A54 K379 K380 N381 L385 H386 | V47-I383 HydrophobicContact CG1-CG1 4.4Å; A50-I383 HydrophobicContact CB-CD1 3.57Å; A50-I383 HydrophobicContact CB-CG1 4.22Å; M51-I383 HydrophobicContact CG-CB 4.43Å; M51-I383 HydrophobicContact CG-CG1 3.91Å; A54-I383 HydrophobicContact CB-CG2 3.94Å; K379-I383 HydrophobicContact CG-CD1 3.81Å; K379-I383 WeakPolarHBondContact O-CD1 3.34Å; K379-I383 VanDerWaalsContact O-CG1 3.3Å; K379-I383 WeakPolarHBondContact O-CG1 3.37Å; K379-I383 PolarHBondContact O-N 3.05Å; K380-I383 PolarHBondContact O-N 3.22Å; N381-I383 VanDerWaalsContact C-N 3.35Å; I383-L385 VanDerWaalsContact C-N 3.26Å; I383-L385 PolarHBondContact O-N 2.65Å; I383-H386 WeakPolarHBondContact O-CB 3.45Å; I383-H386 PolarHBondContact O-N 3.47Å |
| 384 | D | 72.3 | Confident | 71.8 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -24.2 | -177.8 | -67.6 | -21.3 | 0 | 0 | 0 | 113 | I356 R360 K380 N381 | I356-D384 HydrophobicContact CG2-CB 4.06Å; R360-D384 PolarHBondContact NH1-O 3.4Å; K380-D384 IonicContact NZ-OD2 3.88Å; K380-D384 PolarHBondContact NZ-OD2 2.91Å; K380-D384 VanDerWaalsContact O-CG 3.29Å; K380-D384 PolarHBondContact O-N 2.89Å; N381-D384 PolarHBondContact O-N 2.85Å |
| 385 | L | 72.5 | Confident | 72.2 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -81.7 | -14.3 | 173.1 | -71.8 | 165.8 | 0 | 0 | 0 | 112.6 | I356 R360 L368 Y370 N381 I383 | I356-L385 HydrophobicContact CD1-CD1 4.16Å; I356-L385 HydrophobicContact CD1-CD2 3.98Å; I356-L385 HydrophobicContact CD1-CG 3.96Å; I356-L385 HydrophobicContact CG2-CD2 4.01Å; I356-L385 HydrophobicContact CG2-CG 4.37Å; R360-L385 VanDerWaalsContact NH1-C 3.34Å; R360-L385 PolarHBondContact NH1-O 2.84Å; L368-L385 HydrophobicContact CD2-CD1 3.77Å; L368-L385 HydrophobicContact CD2-CD2 3.76Å; L368-L385 HydrophobicContact CD2-CG 4.39Å; Y370-L385 HydrophobicContact CD2-CD1 4.01Å; Y370-L385 HydrophobicContact CE2-CD1 4.44Å; N381-L385 WeakPolarHBondContact O-CB 3.45Å; N381-L385 WeakPolarHBondContact O-CD1 3.2Å; N381-L385 WeakPolarHBondContact O-CG 3.29Å; N381-L385 PolarHBondContact O-N 3.03Å; I383-L385 VanDerWaalsContact C-N 3.26Å; I383-L385 PolarHBondContact O-N 2.65Å |
| 386 | H | 62.7 | Low | 72.5 | Confident | 39 Ų | 39 | 42.5 Ų | 42.5 | 18% | 0.181 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -71.8 | 135.9 | 176.2 | -170 | 55.8 | 0 | 0 | 0 | 111.6 | M51 E57 R360 M382 I383 | M51-H386 HydrophobicContact CE-CB 3.66Å; M51-H386 WeakPolarHBondContact CE-ND1 3.32Å; M51-H386 HydrophobicContact CG-CB 4.36Å; E57-H386 IonicContact OE1-CD2 3.78Å; E57-H386 IonicContact OE1-NE2 3.79Å; E57-H386 PolarHBondContact OE1-NE2 3.39Å; E57-H386 IonicContact OE2-NE2 3.48Å; R360-H386 PolarHBondContact NH1-O 2.91Å; M382-H386 PolarHBondContact O-N 3.41Å; I383-H386 WeakPolarHBondContact O-CB 3.45Å; I383-H386 PolarHBondContact O-N 3.47Å |
| 387 | P | 51.3 | Low | 73 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 14% | 0.143 | 19% | 0.186 | C | C | . | . | trans | -95.9 | 132.3 | 173.9 | 32.7 | -31 | 0 | 0 | 0 | 113.7 | F584 V586 | P387-F584 HydrophobicContact CG-CD1 3.92Å; P387-V586 HydrophobicContact CB-CG2 3.42Å; P387-V586 VanDerWaalsContact CB-CG2 3.42Å; P387-V586 HydrophobicContact CG-CG2 4.06Å | ||
| 388 | V | 51.3 | Low | 73.4 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 32% | 0.315 | 21% | 0.206 | S | C | . | . | trans | -126.6 | 101.2 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | G55 R390 | G55-V388 VanDerWaalsContact CA-CG1 3.46Å; G55-V388 WeakPolarHBondContact O-CG1 3.37Å; V388-R390 HydrophobicContact CG1-CB 4.46Å; V388-R390 HydrophobicContact CG1-CG 4.42Å; V388-R390 PolarHBondContact O-N 3.48Å | ||
| 389 | I | 55.2 | Low | 73.6 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | trans | -85.5 | 87.8 | 177.1 | -54.8 | 174.6 | 0 | 0 | 0 | 108.5 | A560 L561 | I389-A560 HydrophobicContact CG2-CB 4.11Å; I389-L561 WeakPolarHBondContact O-CB 3.39Å | ||
| 390 | R | 57.9 | Low | 73.7 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 33% | 0.328 | 26% | 0.256 | S | S | . | . | trans | -141.7 | 155.6 | 169.7 | -77.4 | -77 | -100.4 | -178.9 | -4.7 | 107.8 | V388 L561 E562 | V388-R390 HydrophobicContact CG1-CB 4.46Å; V388-R390 HydrophobicContact CG1-CG 4.42Å; V388-R390 PolarHBondContact O-N 3.48Å; R390-L561 HydrophobicContact CG-CD1 4.27Å; R390-E562 PolarHBondContact NH1-O 3.18Å | ||
| 391 | P | 61.9 | Low | 73.8 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | S | Bend | cis | -72.8 | 173.8 | 2.2 | 31.9 | -36.2 | 0 | 0 | 0 | 113.6 | L406 N409 | P391-L406 HydrophobicContact CG-CB 4.49Å; P391-L406 HydrophobicContact CG-CD1 4.22Å; P391-N409 PolarHBondContact O-ND2 3.39Å |
| 392 | P | 73.7 | Confident | 73.5 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | trans | -55.3 | 160.7 | 168.5 | 27.8 | -37.5 | 0 | 0 | 0 | 110.7 | F404 C405 E562 | P392-F404 HydrophobicContact CG-CB 3.61Å; P392-C405 VanDerWaalsContact C-SG 3.54Å; P392-C405 VanDerWaalsContact O-CA 3.31Å; P392-C405 WeakPolarHBondContact O-CA 3.45Å; P392-E562 VanDerWaalsContact CA-OE2 3.28Å; P392-E562 WeakPolarHBondContact CA-OE2 3.12Å; P392-E562 HydrophobicContact CB-CB 4.4Å; P392-E562 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 393 | G | 81.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -136.6 | -15.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | H395 A396 C405 F407 N408 E562 | G393-H395 PolarHBondContact O-N 2.89Å; G393-A396 WeakPolarHBondContact O-CB 3.32Å; G393-A396 PolarHBondContact O-N 3.01Å; G393-C405 VanDerWaalsContact C-SG 3.54Å; G393-C405 PolarHBondContact N-SG 3.45Å; G393-F407 WeakPolarHBondContact CA-O 3.47Å; G393-N408 VanDerWaalsContact O-CA 3.32Å; G393-N408 WeakPolarHBondContact O-CA 3.31Å; G393-E562 PolarHBondContact N-OE2 2.67Å | ||
| 394 | H | 86.6 | Confident | 73.8 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.009 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.6 | -163.4 | 80.5 | 146 | 0 | 0 | 0 | 115.9 | D430 D432 H434 G436 G438 K439 E562 | H394-D430 IonicContact CE1-OD2 2.78Å; H394-D430 IonicContact CG-OD2 3.88Å; H394-D430 IonicContact ND1-OD1 2.63Å; H394-D430 IonicContact ND1-OD2 3.96Å; H394-D430 PolarHBondContact ND1-OD2 3.25Å; H394-D432 WeakPolarHBondContact CE1-CB 3.49Å; H394-D432 IonicContact CE1-OD1 3.64Å; H394-D432 PolarHBondContact CE1-OD1 3.44Å; H394-D432 VanDerWaalsContact CE1-OD1 3.24Å; H394-D432 IonicContact CE1-OD2 3.2Å; H394-D432 IonicContact NE2-OD1 2.81Å; H394-D432 IonicContact NE2-OD2 3.26Å; H394-H434 PolarHBondContact CE1-O 3.27Å; H394-H434 VanDerWaalsContact CE1-O 3.31Å; H394-G436 WeakPolarHBondContact ND1-CA 3.34Å; H394-G436 CarbonylContact O-C 3.54Å; H394-G436 VanDerWaalsContact O-C 3.23Å; H394-G436 WeakPolarHBondContact O-CA 3.26Å; H394-G438 WeakPolarHBondContact O-CA 3.3Å; H394-G438 PolarHBondContact O-N 3.48Å; H394-K439 HydrophobicContact CB-CD 3.77Å; H394-K439 HydrophobicContact CB-CG 4.17Å; H394-K439 PolarHBondContact O-N 2.97Å; H394-E562 HydrophobicContact CB-CG 4.21Å; H394-E562 IonicContact CD2-OE2 2.83Å; H394-E562 PolarHBondContact CD2-OE2 2.98Å; H394-E562 IonicContact CG-OE2 2.73Å; H394-E562 PolarHBondContact N-OE2 2.92Å |
| 395 | H | 89 | Confident | 74.1 | Confident | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -15.6 | 170.8 | -55 | -55.4 | 0 | 0 | 0 | 114.3 | G393 M397 N402 C405 Y435 Q437 W463 | G393-H395 PolarHBondContact O-N 2.89Å; H395-M397 PolarHBondContact O-N 3.25Å; H395-N402 HydrophobicContact CB-CB 4Å; H395-N402 WeakPolarHBondContact O-CB 3.39Å; H395-C405 HydrophobicContact CB-CB 3.88Å; H395-C405 VanDerWaalsContact CD2-SG 3.52Å; H395-C405 PolarHBondContact N-SG 3.2Å; H395-C405 VanDerWaalsContact N-SG 3.45Å; H395-Y435 PolarHBondContact CE1-O 3.25Å; H395-Y435 PolarHBondContact ND1-O 3.05Å; H395-Q437 PolarHBondContact ND1-OE1 2.63Å; H395-W463 AromaticContact CD2-CH2 3.51Å; H395-W463 AromaticContact CD2-CZ3 3.81Å; H395-W463 AromaticContact CE1-CH2 3.57Å; H395-W463 AromaticContact CE1-CZ3 3.25Å; H395-W463 WeakPolarHBondContact CE1-CZ3 3.43Å; H395-W463 AromaticContact CG-CH2 3.69Å; H395-W463 AromaticContact ND1-CH2 3.71Å; H395-W463 AromaticContact ND1-CZ3 3.85Å; H395-W463 AromaticContact NE2-CH2 3.4Å; H395-W463 WeakPolarHBondContact NE2-CH2 3.46Å; H395-W463 AromaticContact NE2-CZ3 3.16Å; H395-W463 WeakPolarHBondContact NE2-CZ3 3.48Å |
| 396 | A | 86.4 | Confident | 74.2 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | trans | -66.9 | 131.9 | -178 | 0 | 0 | 0 | 0 | 0 | 110.2 | G393 C405 N408 G438 | G393-A396 WeakPolarHBondContact O-CB 3.32Å; G393-A396 PolarHBondContact O-N 3.01Å; A396-C405 HydrophobicContact CB-CB 3.87Å; A396-N408 HydrophobicContact CB-CB 4.16Å; A396-N408 PolarHBondContact O-ND2 2.84Å; A396-G438 VanDerWaalsContact O-CA 3.3Å; A396-G438 WeakPolarHBondContact O-CA 3.37Å | ||
| 397 | M | 88.4 | Confident | 74.9 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | trans | -95.8 | -174 | -175 | -63 | -76.7 | -72.6 | 0 | 0 | 110.2 | H395 D399 E400 Q437 K441 | H395-M397 PolarHBondContact O-N 3.25Å; M397-D399 VanDerWaalsContact C-N 3.31Å; M397-D399 PolarHBondContact O-N 2.86Å; M397-E400 HydrophobicContact CB-CG 3.44Å; M397-E400 VanDerWaalsContact CB-CG 3.44Å; M397-E400 HydrophobicContact CG-CG 3.7Å; M397-E400 WeakPolarHBondContact CG-OE1 3.46Å; M397-E400 PolarHBondContact N-O 3.17Å; M397-Q437 HydrophobicContact SD-CG 4.2Å; M397-K441 HydrophobicContact CE-CD 3.26Å; M397-K441 HydrophobicContact SD-CD 3.75Å | ||
| 398 | A | 84.1 | Confident | 76.4 | Confident | 111 Ų | 111 | 59 Ų | 59 | 92% | 0.917 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -65.9 | -34.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 399 | D | 84.6 | Confident | 77.7 | Confident | 149 Ų | 149 | 58 Ų | 58 | 80% | 0.797 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -133.4 | 1.3 | -171.1 | 60 | -23 | 0 | 0 | 0 | 114.2 | M397 | M397-D399 VanDerWaalsContact C-N 3.31Å; M397-D399 PolarHBondContact O-N 2.86Å |
| 400 | E | 81.8 | Confident | 79 | Confident | 103 Ų | 103 | 55.5 Ų | 55.5 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | trans | -137 | 140.1 | 178.4 | 61.7 | 176.3 | -173.3 | 0 | 0 | 112.8 | M397 | M397-E400 HydrophobicContact CB-CG 3.44Å; M397-E400 VanDerWaalsContact CB-CG 3.44Å; M397-E400 HydrophobicContact CG-CG 3.7Å; M397-E400 WeakPolarHBondContact CG-OE1 3.46Å; M397-E400 PolarHBondContact N-O 3.17Å | ||
| 401 | A | 80.9 | Confident | 80.4 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 48% | 0.479 | 28% | 0.283 | S | S | . | . | trans | -76.7 | 149.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | C405 L406 | A401-C405 CarbonylContact C-O 3.54Å; A401-C405 WeakPolarHBondContact CA-O 3.46Å; A401-C405 WeakPolarHBondContact CB-O 3.43Å; A401-L406 HydrophobicContact CB-CD2 4Å | ||
| 402 | N | 75.1 | Confident | 81.5 | Confident | 42 Ų | 42 | 52.6 Ų | 52.6 | 23% | 0.225 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | 121.8 | -177.6 | -161.2 | -38.4 | 0 | 0 | 0 | 110.7 | H395 F404 C405 Q437 | H395-N402 HydrophobicContact CB-CB 4Å; H395-N402 WeakPolarHBondContact O-CB 3.39Å; N402-F404 PolarHBondContact O-N 3.01Å; N402-C405 PolarHBondContact N-O 3.19Å; N402-C405 WeakPolarHBondContact O-CA 3.44Å; N402-C405 WeakPolarHBondContact O-CB 3.45Å; N402-C405 PolarHBondContact O-N 3.05Å; N402-Q437 PolarHBondContact ND2-NE2 3.31Å |
| 403 | E | 78.8 | Confident | 81.7 | Confident | 127 Ų | 127 | 54.8 Ų | 54.8 | 59% | 0.593 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | -115.6 | -170 | -63.7 | -65.3 | 170.3 | 0 | 0 | 112.2 | C405 W463 | E403-C405 VanDerWaalsContact C-N 3.32Å; E403-W463 HydrophobicContact CB-CH2 4.42Å; E403-W463 HydrophobicContact CB-CZ2 4.28Å; E403-W463 HydrophobicContact CG-CH2 3.85Å; E403-W463 HydrophobicContact CG-CZ2 3.27Å |
| 404 | F | 74.7 | Confident | 81.8 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.8 | -179.9 | -53.5 | -58.3 | 0 | 0 | 0 | 113.5 | P392 N402 Y565 | P392-F404 HydrophobicContact CG-CB 3.61Å; N402-F404 PolarHBondContact O-N 3.01Å; F404-Y565 HydrophobicContact CD2-CE1 4.27Å; F404-Y565 AromaticContact CD2-CZ 3.98Å; F404-Y565 WeakPolarHBondContact CD2-OH 3.49Å; F404-Y565 HydrophobicContact CE2-CE1 4.02Å; F404-Y565 AromaticContact CE2-CZ 3.88Å; F404-Y565 WeakPolarHBondContact CE2-OH 3.29Å |
| 405 | C | 77.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -93.5 | 107 | -174.7 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | P392 G393 H395 A396 A401 N402 E403 | P392-C405 VanDerWaalsContact C-SG 3.54Å; P392-C405 VanDerWaalsContact O-CA 3.31Å; P392-C405 WeakPolarHBondContact O-CA 3.45Å; G393-C405 VanDerWaalsContact C-SG 3.54Å; G393-C405 PolarHBondContact N-SG 3.45Å; H395-C405 HydrophobicContact CB-CB 3.88Å; H395-C405 VanDerWaalsContact CD2-SG 3.52Å; H395-C405 PolarHBondContact N-SG 3.2Å; H395-C405 VanDerWaalsContact N-SG 3.45Å; A396-C405 HydrophobicContact CB-CB 3.87Å; A401-C405 CarbonylContact C-O 3.54Å; A401-C405 WeakPolarHBondContact CA-O 3.46Å; A401-C405 WeakPolarHBondContact CB-O 3.43Å; N402-C405 PolarHBondContact N-O 3.19Å; N402-C405 WeakPolarHBondContact O-CA 3.44Å; N402-C405 WeakPolarHBondContact O-CB 3.45Å; N402-C405 PolarHBondContact O-N 3.05Å; E403-C405 VanDerWaalsContact C-N 3.32Å |
| 406 | L | 75.2 | Confident | 81.6 | Confident | 103 Ų | 103 | 59 Ų | 59 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -88.9 | -38.1 | 176.1 | -73.3 | 163.6 | 0 | 0 | 0 | 112.7 | P391 A401 | P391-L406 HydrophobicContact CG-CB 4.49Å; P391-L406 HydrophobicContact CG-CD1 4.22Å; A401-L406 HydrophobicContact CB-CD2 4Å |
| 407 | F | 77.3 | Confident | 81.2 | Confident | 137 Ų | 137 | 59 Ų | 59 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -137.8 | 136 | -177.4 | -59.2 | -69.9 | 0 | 0 | 0 | 109.8 | G393 N409 | G393-F407 WeakPolarHBondContact CA-O 3.47Å; F407-N409 VanDerWaalsContact C-N 3.27Å; F407-N409 PolarHBondContact O-N 2.86Å; F407-N409 PolarHBondContact O-ND2 3.09Å |
| 408 | N | 82.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | trans | -77.4 | 76.5 | 176.9 | -169.9 | -21.7 | 0 | 0 | 0 | 110.9 | G393 A396 V410 G411 V412 G438 K439 | G393-N408 VanDerWaalsContact O-CA 3.32Å; G393-N408 WeakPolarHBondContact O-CA 3.31Å; A396-N408 HydrophobicContact CB-CB 4.16Å; A396-N408 PolarHBondContact O-ND2 2.84Å; N408-V410 VanDerWaalsContact C-N 3.32Å; N408-V410 PolarHBondContact O-N 3.37Å; N408-G411 PolarHBondContact O-N 3.37Å; N408-G411 VanDerWaalsContact O-N 3.07Å; N408-G411 WeakPolarHBondContact OD1-CA 3.38Å; N408-G411 PolarHBondContact OD1-N 2.84Å; N408-V412 WeakPolarHBondContact O-CB 3.44Å; N408-V412 WeakPolarHBondContact O-CG2 3.45Å; N408-V412 PolarHBondContact O-N 2.83Å; N408-G438 PolarHBondContact ND2-O 3.31Å; N408-G438 VanDerWaalsContact ND2-O 3.15Å; N408-K439 PolarHBondContact ND2-N 3.26Å; N408-K439 WeakPolarHBondContact OD1-CG 3.07Å | ||
| 409 | N | 80 | Confident | 80.9 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 17% | 0.171 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -52.1 | -48.1 | -171.8 | -57.8 | -58.4 | 0 | 0 | 0 | 112.4 | P391 F407 R413 | P391-N409 PolarHBondContact O-ND2 3.39Å; F407-N409 VanDerWaalsContact C-N 3.27Å; F407-N409 PolarHBondContact O-N 2.86Å; F407-N409 PolarHBondContact O-ND2 3.09Å; N409-R413 WeakPolarHBondContact O-CB 3.5Å; N409-R413 PolarHBondContact O-N 3.16Å; N409-R413 VanDerWaalsContact O-N 3.09Å |
| 410 | V | 82.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | N408 R413 A414 I428 K439 F519 A521 A560 | N408-V410 VanDerWaalsContact C-N 3.32Å; N408-V410 PolarHBondContact O-N 3.37Å; V410-R413 PolarHBondContact O-N 2.86Å; V410-A414 WeakPolarHBondContact O-CB 3.44Å; V410-A414 PolarHBondContact O-N 3.06Å; V410-I428 HydrophobicContact CG1-CD1 3.89Å; V410-I428 HydrophobicContact CG1-CG1 4.08Å; V410-I428 HydrophobicContact CG1-CG2 3.86Å; V410-K439 HydrophobicContact CB-CD 4.1Å; V410-K439 HydrophobicContact CG1-CD 4.22Å; V410-F519 HydrophobicContact CG1-CB 3.65Å; V410-F519 HydrophobicContact CG1-CD1 4.22Å; V410-F519 HydrophobicContact CG1-CG 3.96Å; V410-A521 HydrophobicContact CG2-CB 4.3Å; V410-A560 HydrophobicContact CG2-CB 3.54Å |
| 411 | G | 86.8 | Confident | 79.8 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -39.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N408 S415 F443 | N408-G411 PolarHBondContact O-N 3.37Å; N408-G411 VanDerWaalsContact O-N 3.07Å; N408-G411 WeakPolarHBondContact OD1-CA 3.38Å; N408-G411 PolarHBondContact OD1-N 2.84Å; G411-S415 WeakPolarHBondContact O-CB 3.44Å; G411-S415 PolarHBondContact O-N 3.21Å; G411-S415 PolarHBondContact O-OG 2.68Å; G411-F443 WeakPolarHBondContact O-CZ 3.42Å |
| 412 | V | 85.1 | Confident | 79.7 | Confident | 66 Ų | 66 | 62 Ų | 62 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 110 | N408 S415 F416 | N408-V412 WeakPolarHBondContact O-CB 3.44Å; N408-V412 WeakPolarHBondContact O-CG2 3.45Å; N408-V412 PolarHBondContact O-N 2.83Å; V412-S415 PolarHBondContact O-N 2.87Å; V412-F416 WeakPolarHBondContact O-CB 3.49Å; V412-F416 PolarHBondContact O-N 2.85Å |
| 413 | R | 77.2 | Confident | 80 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.6 | -38.4 | -176.9 | -174.2 | 57.9 | -174.8 | 178.1 | 0.8 | 113.1 | N409 V410 F416 A417 F519 | N409-R413 WeakPolarHBondContact O-CB 3.5Å; N409-R413 PolarHBondContact O-N 3.16Å; N409-R413 VanDerWaalsContact O-N 3.09Å; V410-R413 PolarHBondContact O-N 2.86Å; R413-F416 PolarHBondContact O-N 3.27Å; R413-A417 WeakPolarHBondContact O-CB 3.05Å; R413-A417 PolarHBondContact O-N 3.3Å; R413-F519 HydrophobicContact CB-CE1 3.86Å; R413-F519 HydrophobicContact CB-CZ 4.12Å; R413-F519 HydrophobicContact CG-CE1 3.42Å; R413-F519 VanDerWaalsContact CG-CE1 3.42Å; R413-F519 HydrophobicContact CG-CZ 3.59Å |
| 414 | A | 84.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V410 F416 A417 L418 I426 I428 F443 F519 | V410-A414 WeakPolarHBondContact O-CB 3.44Å; V410-A414 PolarHBondContact O-N 3.06Å; A414-F416 VanDerWaalsContact C-N 3.33Å; A414-F416 PolarHBondContact O-N 2.89Å; A414-A417 PolarHBondContact O-N 3.15Å; A414-L418 WeakPolarHBondContact O-CG 3.3Å; A414-L418 PolarHBondContact O-N 3.17Å; A414-I426 HydrophobicContact CB-CD1 4.06Å; A414-I426 HydrophobicContact CB-CG2 4.22Å; A414-I426 WeakPolarHBondContact O-CD1 3.31Å; A414-I428 HydrophobicContact CB-CD1 4.2Å; A414-F443 HydrophobicContact CB-CE1 4.33Å; A414-F443 HydrophobicContact CB-CE2 4.25Å; A414-F443 HydrophobicContact CB-CZ 3.65Å; A414-F519 HydrophobicContact CB-CD2 4.24Å; A414-F519 HydrophobicContact CB-CE2 3.91Å; A414-F519 HydrophobicContact CB-CZ 4.48Å |
| 415 | S | 88.4 | Confident | 81.5 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | G411 V412 K419 | G411-S415 WeakPolarHBondContact O-CB 3.44Å; G411-S415 PolarHBondContact O-N 3.21Å; G411-S415 PolarHBondContact O-OG 2.68Å; V412-S415 PolarHBondContact O-N 2.87Å; S415-K419 WeakPolarHBondContact O-CB 3.23Å; S415-K419 PolarHBondContact O-N 2.78Å; S415-K419 VanDerWaalsContact O-N 3.16Å |
| 416 | F | 82.9 | Confident | 82.4 | Confident | 55 Ų | 55 | 63.8 Ų | 63.8 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.3 | -179.9 | -83.5 | 0 | 0 | 0 | 111.5 | V412 R413 A414 K419 H420 | V412-F416 WeakPolarHBondContact O-CB 3.49Å; V412-F416 PolarHBondContact O-N 2.85Å; R413-F416 PolarHBondContact O-N 3.27Å; A414-F416 VanDerWaalsContact C-N 3.33Å; A414-F416 PolarHBondContact O-N 2.89Å; F416-K419 PolarHBondContact O-N 3Å; F416-H420 HydrophobicContact CD1-CB 4.38Å; F416-H420 AromaticContact CD2-CD2 3.47Å; F416-H420 VanDerWaalsContact CD2-CD2 3.47Å; F416-H420 WeakPolarHBondContact CD2-CD2 3.44Å; F416-H420 HydrophobicContact CE1-CB 3.89Å; F416-H420 HydrophobicContact CE2-CB 4.18Å; F416-H420 AromaticContact CE2-CD2 3.41Å; F416-H420 VanDerWaalsContact CE2-CD2 3.41Å; F416-H420 WeakPolarHBondContact CE2-CD2 3.3Å; F416-H420 AromaticContact CE2-CG 3.92Å; F416-H420 HydrophobicContact CZ-CB 3.75Å; F416-H420 AromaticContact CZ-CD2 3.93Å; F416-H420 AromaticContact CZ-CG 3.99Å; F416-H420 WeakPolarHBondContact O-CB 3.42Å; F416-H420 PolarHBondContact O-N 3.49Å |
| 417 | A | 77.2 | Confident | 83.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | R413 A414 K419 L421 I423 I426 L517 | R413-A417 WeakPolarHBondContact O-CB 3.05Å; R413-A417 PolarHBondContact O-N 3.3Å; A414-A417 PolarHBondContact O-N 3.15Å; A417-K419 VanDerWaalsContact C-N 3.28Å; A417-K419 PolarHBondContact O-N 2.83Å; A417-L421 HydrophobicContact CB-CD1 3.98Å; A417-L421 WeakPolarHBondContact O-CA 3.02Å; A417-L421 VanDerWaalsContact O-CB 3.27Å; A417-L421 WeakPolarHBondContact O-CB 3.47Å; A417-L421 PolarHBondContact O-N 3.41Å; A417-I423 HydrophobicContact CB-CD1 4.36Å; A417-I426 HydrophobicContact CB-CD1 3.8Å; A417-L517 HydrophobicContact CB-CD2 4.04Å |
| 418 | L | 83.6 | Confident | 84.5 | Confident | 44 Ų | 44 | 52.4 Ų | 52.4 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -36.8 | 175.9 | -67.4 | 177.7 | 0 | 0 | 0 | 113 | A414 I426 E448 V449 | A414-L418 WeakPolarHBondContact O-CG 3.3Å; A414-L418 PolarHBondContact O-N 3.17Å; L418-I426 HydrophobicContact CD2-CD1 3.76Å; L418-I426 HydrophobicContact CD2-CG1 4.03Å; L418-I426 HydrophobicContact CG-CD1 3.73Å; L418-E448 HydrophobicContact CD1-CB 4.01Å; L418-E448 HydrophobicContact CD2-CB 3.8Å; L418-V449 HydrophobicContact CD1-CG2 3.62Å |
| 419 | K | 82.3 | Confident | 85.2 | Confident | 167 Ų | 167 | 51.7 Ų | 51.7 | 73% | 0.726 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -83.4 | -32 | -174.5 | -171.4 | 173.4 | 179.8 | 178.1 | 0 | 113.7 | S415 F416 A417 | S415-K419 WeakPolarHBondContact O-CB 3.23Å; S415-K419 PolarHBondContact O-N 2.78Å; S415-K419 VanDerWaalsContact O-N 3.16Å; F416-K419 PolarHBondContact O-N 3Å; A417-K419 VanDerWaalsContact C-N 3.28Å; A417-K419 PolarHBondContact O-N 2.83Å |
| 420 | H | 72.8 | Confident | 86 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -124.5 | -11 | -166.2 | -63.8 | -66.3 | 0 | 0 | 0 | 114.6 | F416 | F416-H420 HydrophobicContact CD1-CB 4.38Å; F416-H420 AromaticContact CD2-CD2 3.47Å; F416-H420 VanDerWaalsContact CD2-CD2 3.47Å; F416-H420 WeakPolarHBondContact CD2-CD2 3.44Å; F416-H420 HydrophobicContact CE1-CB 3.89Å; F416-H420 HydrophobicContact CE2-CB 4.18Å; F416-H420 AromaticContact CE2-CD2 3.41Å; F416-H420 VanDerWaalsContact CE2-CD2 3.41Å; F416-H420 WeakPolarHBondContact CE2-CD2 3.3Å; F416-H420 AromaticContact CE2-CG 3.92Å; F416-H420 HydrophobicContact CZ-CB 3.75Å; F416-H420 AromaticContact CZ-CD2 3.93Å; F416-H420 AromaticContact CZ-CG 3.99Å; F416-H420 WeakPolarHBondContact O-CB 3.42Å; F416-H420 PolarHBondContact O-N 3.49Å |
| 421 | L | 70.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -113.5 | 160.5 | 176.4 | -52.9 | 179.5 | 0 | 0 | 0 | 109.5 | A417 I423 | A417-L421 HydrophobicContact CB-CD1 3.98Å; A417-L421 WeakPolarHBondContact O-CA 3.02Å; A417-L421 VanDerWaalsContact O-CB 3.27Å; A417-L421 WeakPolarHBondContact O-CB 3.47Å; A417-L421 PolarHBondContact O-N 3.41Å; L421-I423 HydrophobicContact CB-CD1 4.01Å; L421-I423 HydrophobicContact CB-CG1 4.08Å; L421-I423 HydrophobicContact CD1-CD1 3.93Å; L421-I423 PolarHBondContact O-N 3.36Å |
| 422 | V | 78.8 | Confident | 87.1 | Confident | 133 Ų | 133 | 50 Ų | 50 | 81% | 0.806 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -81.8 | 65.5 | 173.1 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 423 | I | 82.5 | Confident | 87.6 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | trans | -132 | 126.3 | -179.7 | -64.9 | 175.1 | 0 | 0 | 0 | 107.4 | A417 L421 I426 E516 L517 | A417-I423 HydrophobicContact CB-CD1 4.36Å; L421-I423 HydrophobicContact CB-CD1 4.01Å; L421-I423 HydrophobicContact CB-CG1 4.08Å; L421-I423 HydrophobicContact CD1-CD1 3.93Å; L421-I423 PolarHBondContact O-N 3.36Å; I423-I426 HydrophobicContact CG2-CD1 4.13Å; I423-I426 HydrophobicContact CG2-CG1 3.62Å; I423-E516 HydrophobicContact CG2-CB 4.22Å; I423-L517 HydrophobicContact CD1-CB 4.05Å; I423-L517 HydrophobicContact CD1-CD2 3.74Å; I423-L517 HydrophobicContact CD1-CG 4.45Å; I423-L517 HydrophobicContact CG2-CB 4.13Å | ||
| 424 | R | 89.7 | Confident | 88.4 | Confident | 189 Ų | 189 | 45.2 Ų | 45.2 | 71% | 0.713 | 21% | 0.213 | S | C | * | . | trans | -114.8 | -24.7 | -176.2 | -58.6 | -176.3 | -178.1 | -167.6 | 0.7 | 113.1 | E448 E516 | R424-E448 WeakPolarHBondContact O-CA 3.26Å; R424-E448 VanDerWaalsContact O-CB 3.3Å; R424-E448 WeakPolarHBondContact O-CB 3.5Å; R424-E516 WeakPolarHBondContact CA-OE2 3.47Å; R424-E516 WeakPolarHBondContact CB-OE2 3.45Å; R424-E516 PolarHBondContact N-OE2 3.03Å | ||
| 425 | R | 95.3 | Very high | 88.9 | Confident | 90 Ų | 90 | 45.4 Ų | 45.4 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | trans | -126.8 | 117.3 | 178.1 | -66 | -169.8 | -57.4 | -96.1 | 4.7 | 111.2 | E448 Y513 E514 E516 L517 | R425-E448 WeakPolarHBondContact CA-O 3.37Å; R425-Y513 HydrophobicContact CB-CE1 3.94Å; R425-Y513 HydrophobicContact CB-CE2 4.5Å; R425-Y513 VanDerWaalsContact CD-O 3.27Å; R425-Y513 WeakPolarHBondContact CD-O 3.27Å; R425-Y513 HydrophobicContact CG-CE2 4.29Å; R425-Y513 PolarHBondContact NE-O 2.63Å; R425-E514 VanDerWaalsContact CZ-O 3.25Å; R425-E514 PolarHBondContact NE-O 3.23Å; R425-E514 PolarHBondContact NH2-O 3.01Å; R425-E514 IonicContact NH2-OE2 2.68Å; R425-E516 PolarHBondContact N-OE2 3.32Å; R425-E516 PolarHBondContact O-N 3.45Å; R425-L517 PolarHBondContact O-N 2.89Å | ||
| 426 | I | 96.9 | Very high | 89 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132 | 177.2 | -59.7 | -178.7 | 0 | 0 | 0 | 108.9 | A414 A417 L418 I423 I428 E448 V449 L450 Y513 L517 F519 | A414-I426 HydrophobicContact CB-CD1 4.06Å; A414-I426 HydrophobicContact CB-CG2 4.22Å; A414-I426 WeakPolarHBondContact O-CD1 3.31Å; A417-I426 HydrophobicContact CB-CD1 3.8Å; L418-I426 HydrophobicContact CD2-CD1 3.76Å; L418-I426 HydrophobicContact CD2-CG1 4.03Å; L418-I426 HydrophobicContact CG-CD1 3.73Å; I423-I426 HydrophobicContact CG2-CD1 4.13Å; I423-I426 HydrophobicContact CG2-CG1 3.62Å; I426-I428 HydrophobicContact CG2-CG1 4.28Å; I426-E448 PolarHBondContact N-O 2.92Å; I426-V449 HydrophobicContact CB-CG1 4.47Å; I426-V449 HydrophobicContact CB-CG2 4.3Å; I426-V449 HydrophobicContact CG2-CG1 4.47Å; I426-V449 CarbonylContact O-C 3.57Å; I426-V449 VanDerWaalsContact O-CA 3.29Å; I426-V449 WeakPolarHBondContact O-CA 3.37Å; I426-L450 PolarHBondContact O-N 3.04Å; I426-Y513 WeakPolarHBondContact O-CE1 3.49Å; I426-L517 WeakPolarHBondContact CA-O 3.46Å; I426-L517 HydrophobicContact CG1-CB 4.48Å; I426-F519 HydrophobicContact CD1-CE2 4.36Å; I426-F519 HydrophobicContact CG2-CD2 3.47Å; I426-F519 VanDerWaalsContact CG2-CD2 3.47Å; I426-F519 HydrophobicContact CG2-CE2 3.65Å |
| 427 | L | 98.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.4 | 168.9 | 169.9 | 64 | 0 | 0 | 0 | 108.9 | V429 L450 I452 A510 P515 L517 V518 F519 I552 | L427-V429 HydrophobicContact CD1-CG2 4.04Å; L427-V429 HydrophobicContact CD2-CG2 3.97Å; L427-V429 HydrophobicContact CG-CG2 3.87Å; L427-L450 HydrophobicContact CD1-CB 4.25Å; L427-L450 HydrophobicContact CD1-CD2 4.08Å; L427-L450 HydrophobicContact CD1-CG 4Å; L427-I452 HydrophobicContact CD1-CD1 3.88Å; L427-I452 HydrophobicContact CD1-CG1 4.05Å; L427-A510 HydrophobicContact CD2-CB 3.6Å; L427-P515 HydrophobicContact CB-CB 3.62Å; L427-P515 HydrophobicContact CB-CG 3.69Å; L427-P515 HydrophobicContact CD2-CG 4.11Å; L427-L517 PolarHBondContact N-O 2.85Å; L427-V518 HydrophobicContact CB-CG2 4.28Å; L427-V518 HydrophobicContact CD2-CG1 4.33Å; L427-V518 HydrophobicContact CD2-CG2 4.19Å; L427-V518 HydrophobicContact CG-CG1 4.41Å; L427-V518 CarbonylContact O-C 3.52Å; L427-V518 VanDerWaalsContact O-CA 3.31Å; L427-V518 WeakPolarHBondContact O-CA 3.11Å; L427-F519 PolarHBondContact O-N 3.14Å; L427-I552 HydrophobicContact CD2-CG2 4.34Å |
| 428 | I | 97.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.8 | 169 | -59 | 174.6 | 0 | 0 | 0 | 107.8 | V410 A414 I426 K439 F443 V449 L450 I452 F519 | V410-I428 HydrophobicContact CG1-CD1 3.89Å; V410-I428 HydrophobicContact CG1-CG1 4.08Å; V410-I428 HydrophobicContact CG1-CG2 3.86Å; A414-I428 HydrophobicContact CB-CD1 4.2Å; I426-I428 HydrophobicContact CG2-CG1 4.28Å; I428-K439 HydrophobicContact CG2-CD 4.23Å; I428-F443 HydrophobicContact CD1-CD2 3.87Å; I428-F443 HydrophobicContact CD1-CE2 3.6Å; I428-F443 HydrophobicContact CD1-CZ 4.43Å; I428-V449 HydrophobicContact CD1-CG1 3.48Å; I428-V449 VanDerWaalsContact CD1-CG1 3.48Å; I428-V449 HydrophobicContact CG1-CG1 3.85Å; I428-L450 PolarHBondContact N-O 3.24Å; I428-I452 PolarHBondContact O-N 2.94Å; I428-F519 CarbonylContact C-O 3.57Å; I428-F519 WeakPolarHBondContact CA-O 3.46Å; I428-F519 HydrophobicContact CG1-CB 4.2Å; I428-F519 HydrophobicContact CG1-CD2 4.45Å |
| 429 | V | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.8 | 170.1 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | L427 W431 I452 F502 I506 F519 I520 A521 L549 | L427-V429 HydrophobicContact CD1-CG2 4.04Å; L427-V429 HydrophobicContact CD2-CG2 3.97Å; L427-V429 HydrophobicContact CG-CG2 3.87Å; V429-W431 HydrophobicContact CG1-CE3 4.21Å; V429-I452 WeakPolarHBondContact CA-O 3.11Å; V429-F502 HydrophobicContact CG1-CZ 4.16Å; V429-I506 HydrophobicContact CG1-CD1 4.22Å; V429-I506 HydrophobicContact CG2-CG2 4.24Å; V429-F519 PolarHBondContact N-O 3.04Å; V429-I520 CarbonylContact O-C 3.57Å; V429-I520 VanDerWaalsContact O-CA 3.29Å; V429-I520 WeakPolarHBondContact O-CA 3.32Å; V429-A521 PolarHBondContact O-N 3.27Å; V429-L549 HydrophobicContact CB-CD1 4Å; V429-L549 HydrophobicContact CG1-CD1 4.17Å; V429-L549 HydrophobicContact CG2-CD1 3.88Å; V429-L549 HydrophobicContact CG2-CD2 4.03Å |
| 430 | D | 97.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.6 | 174.1 | -172.5 | -0.6 | 0 | 0 | 0 | 109.8 | H394 D432 K439 I452 S453 I454 A521 | H394-D430 IonicContact CE1-OD2 2.78Å; H394-D430 IonicContact CG-OD2 3.88Å; H394-D430 IonicContact ND1-OD1 2.63Å; H394-D430 IonicContact ND1-OD2 3.96Å; H394-D430 PolarHBondContact ND1-OD2 3.25Å; D430-D432 VanDerWaalsContact OD1-CB 3.25Å; D430-D432 WeakPolarHBondContact OD1-CB 3.37Å; D430-D432 PolarHBondContact OD1-N 2.81Å; D430-K439 WeakPolarHBondContact OD2-CE 3.33Å; D430-K439 IonicContact OD2-NZ 3.96Å; D430-K439 PolarHBondContact OD2-NZ 3.25Å; D430-I452 PolarHBondContact N-O 2.97Å; D430-S453 CarbonylContact O-C 3.55Å; D430-S453 VanDerWaalsContact O-CA 3.28Å; D430-S453 WeakPolarHBondContact O-CA 3.44Å; D430-I454 PolarHBondContact O-N 2.98Å; D430-A521 HydrophobicContact CB-CB 3.88Å |
| 431 | W | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -117.8 | 9.6 | 175.9 | 64.1 | 56.8 | 0 | 0 | 0 | 112.8 | V429 V433 F502 I520 A521 A522 G523 F542 L545 T546 L549 | V429-W431 HydrophobicContact CG1-CE3 4.21Å; W431-V433 PolarHBondContact O-N 2.84Å; W431-F502 AromaticContact CE3-CZ 3.71Å; W431-F502 HydrophobicContact CE3-CZ 3.71Å; W431-F502 HydrophobicContact CZ3-CE1 4.43Å; W431-F502 AromaticContact CZ3-CZ 3.95Å; W431-F502 HydrophobicContact CZ3-CZ 3.95Å; W431-I520 HydrophobicContact CD2-CG2 3.91Å; W431-I520 HydrophobicContact CE3-CG2 3.67Å; W431-I520 HydrophobicContact CH2-CB 4.44Å; W431-I520 HydrophobicContact CH2-CD1 3.59Å; W431-I520 HydrophobicContact CH2-CG1 4.46Å; W431-I520 HydrophobicContact CH2-CG2 3.32Å; W431-I520 HydrophobicContact CZ2-CG2 3.47Å; W431-I520 VanDerWaalsContact CZ2-CG2 3.47Å; W431-I520 HydrophobicContact CZ3-CD1 3.74Å; W431-I520 HydrophobicContact CZ3-CG1 4.36Å; W431-I520 HydrophobicContact CZ3-CG2 3.41Å; W431-I520 VanDerWaalsContact CZ3-CG2 3.41Å; W431-A521 PolarHBondContact N-O 2.98Å; W431-A522 HydrophobicContact CZ2-CB 3.91Å; W431-G523 PolarHBondContact NE1-O 2.74Å; W431-F542 AromaticContact CD1-CE1 3.99Å; W431-F542 AromaticContact CE2-CD1 3.97Å; W431-F542 HydrophobicContact CZ2-CD1 4.25Å; W431-F542 AromaticContact NE1-CD1 3.6Å; W431-F542 AromaticContact NE1-CE1 3.83Å; W431-L545 HydrophobicContact CE3-CB 4.49Å; W431-L545 HydrophobicContact CH2-CB 4.19Å; W431-L545 HydrophobicContact CZ3-CB 3.95Å; W431-T546 WeakPolarHBondContact CH2-OG1 3.17Å; W431-L549 HydrophobicContact CZ3-CD1 4.08Å | ||
| 432 | D | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -53.3 | 140 | 166.5 | -170.6 | -73.9 | 0 | 0 | 0 | 109.6 | H394 D430 H434 G523 E562 G563 | H394-D432 WeakPolarHBondContact CE1-CB 3.49Å; H394-D432 IonicContact CE1-OD1 3.64Å; H394-D432 PolarHBondContact CE1-OD1 3.44Å; H394-D432 VanDerWaalsContact CE1-OD1 3.24Å; H394-D432 IonicContact CE1-OD2 3.2Å; H394-D432 IonicContact NE2-OD1 2.81Å; H394-D432 IonicContact NE2-OD2 3.26Å; D430-D432 VanDerWaalsContact OD1-CB 3.25Å; D430-D432 WeakPolarHBondContact OD1-CB 3.37Å; D430-D432 PolarHBondContact OD1-N 2.81Å; D432-H434 PolarHBondContact O-N 3.45Å; D432-H434 VanDerWaalsContact O-N 3.12Å; D432-H434 WeakPolarHBondContact OD1-CB 3.34Å; D432-H434 IonicContact OD1-CG 2.7Å; D432-H434 PolarHBondContact OD1-N 3.27Å; D432-H434 IonicContact OD1-ND1 2.66Å; D432-H434 PolarHBondContact OD1-ND1 3.26Å; D432-H434 VanDerWaalsContact OD1-ND1 3.11Å; D432-G523 VanDerWaalsContact OD2-CA 3.24Å; D432-G523 WeakPolarHBondContact OD2-CA 3.42Å; D432-E562 HydrophobicContact CB-CB 4.17Å; D432-E562 VanDerWaalsContact OD2-CB 3.22Å; D432-E562 WeakPolarHBondContact OD2-CB 3.35Å; D432-G563 WeakPolarHBondContact OD2-CA 3.3Å; D432-G563 PolarHBondContact OD2-N 3.01Å | ||
| 433 | V | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -65 | -20.7 | -173.6 | 79 | 0 | 0 | 0 | 0 | 112 | W431 H455 R456 F462 D525 A526 M535 | W431-V433 PolarHBondContact O-N 2.84Å; V433-H455 CarbonylContact O-C 3.43Å; V433-H455 WeakPolarHBondContact O-CA 3.34Å; V433-H455 WeakPolarHBondContact O-CB 3.43Å; V433-R456 HydrophobicContact CG2-CB 3.83Å; V433-R456 PolarHBondContact O-N 3.08Å; V433-F462 HydrophobicContact CG1-CE1 4.46Å; V433-D525 WeakPolarHBondContact CB-OD1 3.22Å; V433-D525 HydrophobicContact CG1-CB 3.9Å; V433-D525 WeakPolarHBondContact CG1-OD1 3.42Å; V433-D525 PolarHBondContact N-OD1 2.8Å; V433-A526 HydrophobicContact CB-CB 4.14Å; V433-A526 HydrophobicContact CG2-CB 4.22Å; V433-M535 HydrophobicContact CG2-CG 3.93Å |
| 434 | H | 94.1 | Very high | 95 | Very high | 18 Ų | 18 | 25.3 Ų | 25.3 | 8% | 0.083 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -94.2 | 142.4 | 177.3 | -50.8 | 95.5 | 0 | 0 | 0 | 111 | H394 D432 G436 F462 W463 D525 | H394-H434 PolarHBondContact CE1-O 3.27Å; H394-H434 VanDerWaalsContact CE1-O 3.31Å; D432-H434 PolarHBondContact O-N 3.45Å; D432-H434 VanDerWaalsContact O-N 3.12Å; D432-H434 WeakPolarHBondContact OD1-CB 3.34Å; D432-H434 IonicContact OD1-CG 2.7Å; D432-H434 PolarHBondContact OD1-N 3.27Å; D432-H434 IonicContact OD1-ND1 2.66Å; D432-H434 PolarHBondContact OD1-ND1 3.26Å; D432-H434 VanDerWaalsContact OD1-ND1 3.11Å; H434-G436 PolarHBondContact O-N 3.34Å; H434-G436 VanDerWaalsContact O-N 3.15Å; H434-F462 AromaticContact CD2-CE1 3.35Å; H434-F462 WeakPolarHBondContact CD2-CE1 3.4Å; H434-F462 AromaticContact CD2-CZ 3.62Å; H434-F462 AromaticContact NE2-CE1 3.84Å; H434-F462 AromaticContact NE2-CZ 3.61Å; H434-W463 HydrophobicContact CB-CE3 4Å; H434-W463 HydrophobicContact CB-CZ3 3.85Å; H434-W463 AromaticContact CD2-CE3 3.61Å; H434-W463 AromaticContact CG-CE3 3.94Å; H434-D525 IonicContact CE1-OD2 3.17Å; H434-D525 PolarHBondContact CE1-OD2 2.79Å; H434-D525 IonicContact ND1-OD2 2.74Å; H434-D525 PolarHBondContact ND1-OD2 2.83Å |
| 435 | Y | 94.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | trans | -59.7 | 120.3 | 174.1 | 165.1 | -133.5 | 0 | 0 | 0 | 110.5 | H395 Q437 Q440 H455 P464 M466 | H395-Y435 PolarHBondContact CE1-O 3.25Å; H395-Y435 PolarHBondContact ND1-O 3.05Å; Y435-Q437 HydrophobicContact CD1-CB 4.08Å; Y435-Q437 HydrophobicContact CE1-CB 3.5Å; Y435-Q437 VanDerWaalsContact CE1-CB 3.5Å; Y435-Q437 HydrophobicContact CE2-CB 4.37Å; Y435-Q437 PolarHBondContact O-N 3.48Å; Y435-Q437 PolarHBondContact O-OE1 2.87Å; Y435-Q440 HydrophobicContact CE2-CB 4.25Å; Y435-Q440 VanDerWaalsContact CE2-OE1 3.28Å; Y435-Q440 PolarHBondContact OH-NE2 3.18Å; Y435-Q440 PolarHBondContact OH-OE1 2.96Å; Y435-H455 AromaticContact CD2-CE1 3.63Å; Y435-H455 AromaticContact CD2-ND1 3.98Å; Y435-P464 HydrophobicContact CD1-CG 3.83Å; Y435-P464 HydrophobicContact CG-CG 4.49Å; Y435-M466 HydrophobicContact CD1-CB 4.15Å; Y435-M466 HydrophobicContact CE1-CB 3.93Å; Y435-M466 HydrophobicContact CE1-SD 4.22Å | ||
| 436 | G | 91.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | -89.8 | 70.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H394 H434 G438 K439 Q440 | H394-G436 WeakPolarHBondContact ND1-CA 3.34Å; H394-G436 CarbonylContact O-C 3.54Å; H394-G436 VanDerWaalsContact O-C 3.23Å; H394-G436 WeakPolarHBondContact O-CA 3.26Å; H434-G436 PolarHBondContact O-N 3.34Å; H434-G436 VanDerWaalsContact O-N 3.15Å; G436-G438 VanDerWaalsContact C-N 3.26Å; G436-G438 PolarHBondContact O-N 3.09Å; G436-K439 VanDerWaalsContact CA-NZ 3.34Å; G436-K439 PolarHBondContact O-N 3.38Å; G436-K439 PolarHBondContact O-NZ 3.07Å; G436-Q440 PolarHBondContact O-N 3.45Å | ||
| 437 | Q | 93.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.9 | -32.1 | -175.6 | 73.2 | -79.2 | 17.7 | 0 | 0 | 114.7 | H395 M397 N402 Y435 K439 Q440 K441 M466 | H395-Q437 PolarHBondContact ND1-OE1 2.63Å; M397-Q437 HydrophobicContact SD-CG 4.2Å; N402-Q437 PolarHBondContact ND2-NE2 3.31Å; Y435-Q437 HydrophobicContact CD1-CB 4.08Å; Y435-Q437 HydrophobicContact CE1-CB 3.5Å; Y435-Q437 VanDerWaalsContact CE1-CB 3.5Å; Y435-Q437 HydrophobicContact CE2-CB 4.37Å; Y435-Q437 PolarHBondContact O-N 3.48Å; Y435-Q437 PolarHBondContact O-OE1 2.87Å; Q437-K439 PolarHBondContact O-N 2.96Å; Q437-Q440 PolarHBondContact O-N 3.29Å; Q437-K441 WeakPolarHBondContact O-CB 3.28Å; Q437-K441 PolarHBondContact O-N 2.93Å; Q437-M466 HydrophobicContact CB-SD 3.98Å; Q437-M466 HydrophobicContact CG-SD 3.98Å |
| 438 | G | 92.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | H394 A396 N408 G436 A442 | H394-G438 WeakPolarHBondContact O-CA 3.3Å; H394-G438 PolarHBondContact O-N 3.48Å; A396-G438 VanDerWaalsContact O-CA 3.3Å; A396-G438 WeakPolarHBondContact O-CA 3.37Å; N408-G438 PolarHBondContact ND2-O 3.31Å; N408-G438 VanDerWaalsContact ND2-O 3.15Å; G436-G438 VanDerWaalsContact C-N 3.26Å; G436-G438 PolarHBondContact O-N 3.09Å; G438-A442 WeakPolarHBondContact O-CB 3.39Å; G438-A442 PolarHBondContact O-N 2.95Å; G438-A442 VanDerWaalsContact O-N 3.11Å |
| 439 | K | 90.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.9 | -43.5 | 177.5 | -54.1 | 176.3 | -50.8 | -34.5 | 0 | 111.6 | H394 N408 V410 I428 D430 G436 Q437 K441 A442 F443 A521 | H394-K439 HydrophobicContact CB-CD 3.77Å; H394-K439 HydrophobicContact CB-CG 4.17Å; H394-K439 PolarHBondContact O-N 2.97Å; N408-K439 PolarHBondContact ND2-N 3.26Å; N408-K439 WeakPolarHBondContact OD1-CG 3.07Å; V410-K439 HydrophobicContact CB-CD 4.1Å; V410-K439 HydrophobicContact CG1-CD 4.22Å; I428-K439 HydrophobicContact CG2-CD 4.23Å; D430-K439 WeakPolarHBondContact OD2-CE 3.33Å; D430-K439 IonicContact OD2-NZ 3.96Å; D430-K439 PolarHBondContact OD2-NZ 3.25Å; G436-K439 VanDerWaalsContact CA-NZ 3.34Å; G436-K439 PolarHBondContact O-N 3.38Å; G436-K439 PolarHBondContact O-NZ 3.07Å; Q437-K439 PolarHBondContact O-N 2.96Å; K439-K441 VanDerWaalsContact C-N 3.32Å; K439-K441 PolarHBondContact O-N 3.36Å; K439-A442 PolarHBondContact O-N 3.37Å; K439-F443 WeakPolarHBondContact O-CD2 3.5Å; K439-F443 PolarHBondContact O-N 3.28Å; K439-A521 HydrophobicContact CD-CB 4.16Å |
| 440 | Q | 95.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.6 | -51.7 | 176.8 | 171.3 | 164.6 | -41.6 | 0 | 0 | 110 | Y435 G436 Q437 A442 F443 Y444 E468 N483 N485 | Y435-Q440 HydrophobicContact CE2-CB 4.25Å; Y435-Q440 VanDerWaalsContact CE2-OE1 3.28Å; Y435-Q440 PolarHBondContact OH-NE2 3.18Å; Y435-Q440 PolarHBondContact OH-OE1 2.96Å; G436-Q440 PolarHBondContact O-N 3.45Å; Q437-Q440 PolarHBondContact O-N 3.29Å; Q440-A442 VanDerWaalsContact C-N 3.35Å; Q440-A442 PolarHBondContact O-N 2.95Å; Q440-F443 PolarHBondContact O-N 2.63Å; Q440-Y444 HydrophobicContact CG-CD2 3.52Å; Q440-Y444 HydrophobicContact CG-CE2 3.83Å; Q440-Y444 WeakPolarHBondContact O-CA 3.41Å; Q440-Y444 WeakPolarHBondContact O-CB 3.16Å; Q440-Y444 PolarHBondContact O-N 3.2Å; Q440-E468 PolarHBondContact NE2-O 2.81Å; Q440-N483 VanDerWaalsContact CG-OD1 3.31Å; Q440-N483 WeakPolarHBondContact CG-OD1 3.48Å; Q440-N483 PolarHBondContact OE1-ND2 3.02Å; Q440-N483 PolarHBondContact OE1-OD1 2.88Å; Q440-N485 PolarHBondContact OE1-ND2 3.41Å; Q440-N485 PolarHBondContact OE1-OD1 2.84Å |
| 441 | K | 95.1 | Very high | 95.5 | Very high | 103 Ų | 103 | 28.3 Ų | 28.3 | 45% | 0.448 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 179.5 | -74.4 | -176.3 | 174.4 | -176 | 0 | 113.4 | M397 Q437 K439 F443 | M397-K441 HydrophobicContact CE-CD 3.26Å; M397-K441 HydrophobicContact SD-CD 3.75Å; Q437-K441 WeakPolarHBondContact O-CB 3.28Å; Q437-K441 PolarHBondContact O-N 2.93Å; K439-K441 VanDerWaalsContact C-N 3.32Å; K439-K441 PolarHBondContact O-N 3.36Å; K441-F443 PolarHBondContact O-N 2.91Å |
| 442 | A | 94.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 28.4 Ų | 28.4 | 34% | 0.339 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -62.9 | -24.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | G438 K439 Q440 | G438-A442 WeakPolarHBondContact O-CB 3.39Å; G438-A442 PolarHBondContact O-N 2.95Å; G438-A442 VanDerWaalsContact O-N 3.11Å; K439-A442 PolarHBondContact O-N 3.37Å; Q440-A442 VanDerWaalsContact C-N 3.35Å; Q440-A442 PolarHBondContact O-N 2.95Å |
| 443 | F | 96.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 2% | 0.022 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -127.6 | 10.4 | -175.8 | -55.8 | -69.7 | 0 | 0 | 0 | 114.4 | G411 A414 I428 K439 Q440 K441 E445 K446 V449 | G411-F443 WeakPolarHBondContact O-CZ 3.42Å; A414-F443 HydrophobicContact CB-CE1 4.33Å; A414-F443 HydrophobicContact CB-CE2 4.25Å; A414-F443 HydrophobicContact CB-CZ 3.65Å; I428-F443 HydrophobicContact CD1-CD2 3.87Å; I428-F443 HydrophobicContact CD1-CE2 3.6Å; I428-F443 HydrophobicContact CD1-CZ 4.43Å; K439-F443 WeakPolarHBondContact O-CD2 3.5Å; K439-F443 PolarHBondContact O-N 3.28Å; Q440-F443 PolarHBondContact O-N 2.63Å; K441-F443 PolarHBondContact O-N 2.91Å; F443-E445 PolarHBondContact O-N 3.03Å; F443-K446 HydrophobicContact CD1-CD 3.92Å; F443-K446 PolarHBondContact O-N 3.26Å; F443-V449 HydrophobicContact CB-CB 3.96Å; F443-V449 HydrophobicContact CB-CG1 4.16Å; F443-V449 HydrophobicContact CD1-CB 3.77Å; F443-V449 HydrophobicContact CD1-CG1 4.07Å; F443-V449 HydrophobicContact CD1-CG2 3.44Å; F443-V449 VanDerWaalsContact CD1-CG2 3.44Å; F443-V449 HydrophobicContact CD2-CB 4.42Å; F443-V449 HydrophobicContact CD2-CG1 3.89Å; F443-V449 HydrophobicContact CE1-CB 4.42Å; F443-V449 HydrophobicContact CE1-CG1 4.5Å; F443-V449 HydrophobicContact CE1-CG2 3.73Å; F443-V449 HydrophobicContact CE2-CG1 4.31Å; F443-V449 HydrophobicContact CG-CB 3.79Å; F443-V449 HydrophobicContact CG-CG1 3.77Å; F443-V449 HydrophobicContact CG-CG2 4Å; F443-V449 HydrophobicContact CZ-CG2 4.47Å |
| 444 | Y | 97.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 22% | 0.224 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.5 | -171 | -154.3 | -117 | 0 | 0 | 0 | 114.7 | Q440 G475 T476 N483 | Q440-Y444 HydrophobicContact CG-CD2 3.52Å; Q440-Y444 HydrophobicContact CG-CE2 3.83Å; Q440-Y444 WeakPolarHBondContact O-CA 3.41Å; Q440-Y444 WeakPolarHBondContact O-CB 3.16Å; Q440-Y444 PolarHBondContact O-N 3.2Å; Y444-G475 VanDerWaalsContact CZ-CA 3.46Å; Y444-G475 VanDerWaalsContact O-CA 3.31Å; Y444-G475 WeakPolarHBondContact O-CA 3.21Å; Y444-G475 PolarHBondContact OH-N 3.5Å; Y444-T476 HydrophobicContact CD1-CG2 4.2Å; Y444-T476 WeakPolarHBondContact CD1-OG1 3.43Å; Y444-T476 HydrophobicContact CE1-CG2 3.79Å; Y444-T476 PolarHBondContact O-N 2.66Å; Y444-N483 HydrophobicContact CD2-CB 4.29Å; Y444-N483 HydrophobicContact CE2-CB 4.22Å |
| 445 | E | 97.5 | Very high | 96 | Very high | 125 Ų | 125 | 27.9 Ų | 27.9 | 58% | 0.584 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 6.7 | -179.6 | -66.5 | 179.2 | -169.7 | 0 | 0 | 114 | F443 T476 G479 | F443-E445 PolarHBondContact O-N 3.03Å; E445-T476 WeakPolarHBondContact CA-O 3.25Å; E445-T476 WeakPolarHBondContact CG-OG1 3.33Å; E445-G479 VanDerWaalsContact C-N 3.29Å; E445-G479 PolarHBondContact O-N 3.34Å; E445-G479 VanDerWaalsContact O-N 3.15Å |
| 446 | K | 96.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 29.6 Ų | 29.6 | 35% | 0.348 | 15% | 0.147 | S | C | . | . | trans | -115.3 | 129.6 | -170.8 | -67.5 | 175.4 | 178.5 | 170.9 | 0 | 111.8 | F443 E448 | F443-K446 HydrophobicContact CD1-CD 3.92Å; F443-K446 PolarHBondContact O-N 3.26Å; K446-E448 WeakPolarHBondContact CB-OE2 3.3Å | ||
| 447 | S | 96.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 30.4 Ų | 30.4 | 30% | 0.301 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -84.7 | -17.4 | 174.6 | 53.8 | 0 | 0 | 0 | 0 | 113 | V449 D478 F482 Y513 | S447-V449 PolarHBondContact O-N 3.32Å; S447-D478 WeakPolarHBondContact CB-O 3.39Å; S447-F482 VanDerWaalsContact CB-CE2 3.48Å; S447-Y513 PolarHBondContact O-OH 3.3Å |
| 448 | E | 97.3 | Very high | 96.5 | Very high | 84 Ų | 84 | 32.8 Ų | 32.8 | 39% | 0.393 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -71.2 | -12.7 | 179.1 | -54.6 | 99.5 | 127.9 | 0 | 0 | 112.8 | L418 R424 R425 I426 K446 Y513 | L418-E448 HydrophobicContact CD1-CB 4.01Å; L418-E448 HydrophobicContact CD2-CB 3.8Å; R424-E448 WeakPolarHBondContact O-CA 3.26Å; R424-E448 VanDerWaalsContact O-CB 3.3Å; R424-E448 WeakPolarHBondContact O-CB 3.5Å; R425-E448 WeakPolarHBondContact CA-O 3.37Å; I426-E448 PolarHBondContact N-O 2.92Å; K446-E448 WeakPolarHBondContact CB-OE2 3.3Å; E448-Y513 PolarHBondContact O-OH 3.2Å |
| 449 | V | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 114.4 | 177.5 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | L418 I426 I428 F443 S447 Y513 | L418-V449 HydrophobicContact CD1-CG2 3.62Å; I426-V449 HydrophobicContact CB-CG1 4.47Å; I426-V449 HydrophobicContact CB-CG2 4.3Å; I426-V449 HydrophobicContact CG2-CG1 4.47Å; I426-V449 CarbonylContact O-C 3.57Å; I426-V449 VanDerWaalsContact O-CA 3.29Å; I426-V449 WeakPolarHBondContact O-CA 3.37Å; I428-V449 HydrophobicContact CD1-CG1 3.48Å; I428-V449 VanDerWaalsContact CD1-CG1 3.48Å; I428-V449 HydrophobicContact CG1-CG1 3.85Å; F443-V449 HydrophobicContact CB-CB 3.96Å; F443-V449 HydrophobicContact CB-CG1 4.16Å; F443-V449 HydrophobicContact CD1-CB 3.77Å; F443-V449 HydrophobicContact CD1-CG1 4.07Å; F443-V449 HydrophobicContact CD1-CG2 3.44Å; F443-V449 VanDerWaalsContact CD1-CG2 3.44Å; F443-V449 HydrophobicContact CD2-CB 4.42Å; F443-V449 HydrophobicContact CD2-CG1 3.89Å; F443-V449 HydrophobicContact CE1-CB 4.42Å; F443-V449 HydrophobicContact CE1-CG1 4.5Å; F443-V449 HydrophobicContact CE1-CG2 3.73Å; F443-V449 HydrophobicContact CE2-CG1 4.31Å; F443-V449 HydrophobicContact CG-CB 3.79Å; F443-V449 HydrophobicContact CG-CG1 3.77Å; F443-V449 HydrophobicContact CG-CG2 4Å; F443-V449 HydrophobicContact CZ-CG2 4.47Å; S447-V449 PolarHBondContact O-N 3.32Å; V449-Y513 PolarHBondContact N-OH 2.84Å |
| 450 | L | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114 | 170.6 | 177.2 | 57.8 | 0 | 0 | 0 | 109.4 | I426 L427 I428 I452 F482 I484 I509 Y513 | I426-L450 PolarHBondContact O-N 3.04Å; L427-L450 HydrophobicContact CD1-CB 4.25Å; L427-L450 HydrophobicContact CD1-CD2 4.08Å; L427-L450 HydrophobicContact CD1-CG 4Å; I428-L450 PolarHBondContact N-O 3.24Å; L450-I452 HydrophobicContact CD1-CG1 4.36Å; L450-I452 HydrophobicContact CD2-CD1 4.22Å; L450-I452 HydrophobicContact CD2-CG1 4.5Å; L450-I452 HydrophobicContact CG-CD1 4.32Å; L450-I452 HydrophobicContact CG-CG1 4.06Å; L450-F482 WeakPolarHBondContact CA-O 3.5Å; L450-F482 HydrophobicContact CD1-CB 4.3Å; L450-F482 HydrophobicContact CD1-CD1 4.43Å; L450-F482 WeakPolarHBondContact CD1-O 3.27Å; L450-I484 HydrophobicContact CD1-CD1 4.05Å; L450-I484 HydrophobicContact CD1-CG1 4.41Å; L450-I509 HydrophobicContact CD2-CG2 3.75Å; L450-Y513 HydrophobicContact CB-CD1 3.67Å; L450-Y513 HydrophobicContact CB-CD2 4.28Å; L450-Y513 HydrophobicContact CB-CE1 3.49Å; L450-Y513 VanDerWaalsContact CB-CE1 3.49Å; L450-Y513 HydrophobicContact CB-CE2 4.14Å; L450-Y513 HydrophobicContact CB-CG 4.07Å; L450-Y513 HydrophobicContact CD2-CD1 3.7Å; L450-Y513 HydrophobicContact CD2-CD2 4.15Å; L450-Y513 HydrophobicContact CD2-CE1 4.4Å; L450-Y513 HydrophobicContact CD2-CG 3.55Å; L450-Y513 HydrophobicContact CG-CD1 4.35Å; L450-Y513 HydrophobicContact CG-CG 4.47Å |
| 451 | C | 97.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120 | 175.3 | -72.9 | 0 | 0 | 0 | 0 | 110.1 | F482 N483 I484 | C451-F482 PolarHBondContact N-O 2.83Å; C451-N483 CarbonylContact O-C 3.58Å; C451-N483 WeakPolarHBondContact O-CA 3.23Å; C451-I484 PolarHBondContact O-N 3.12Å |
| 452 | I | 98.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.4 | 172 | -49.2 | -176.4 | 0 | 0 | 0 | 108.6 | L427 I428 V429 D430 L450 I484 I486 I506 I509 | L427-I452 HydrophobicContact CD1-CD1 3.88Å; L427-I452 HydrophobicContact CD1-CG1 4.05Å; I428-I452 PolarHBondContact O-N 2.94Å; V429-I452 WeakPolarHBondContact CA-O 3.11Å; D430-I452 PolarHBondContact N-O 2.97Å; L450-I452 HydrophobicContact CD1-CG1 4.36Å; L450-I452 HydrophobicContact CD2-CD1 4.22Å; L450-I452 HydrophobicContact CD2-CG1 4.5Å; L450-I452 HydrophobicContact CG-CD1 4.32Å; L450-I452 HydrophobicContact CG-CG1 4.06Å; I452-I484 CarbonylContact C-O 3.59Å; I452-I484 VanDerWaalsContact CA-O 3.32Å; I452-I484 WeakPolarHBondContact CA-O 3.35Å; I452-I484 HydrophobicContact CD1-CD1 4.39Å; I452-I484 HydrophobicContact CG1-CB 4.29Å; I452-I484 HydrophobicContact CG1-CD1 4.3Å; I452-I484 HydrophobicContact CG2-CB 4.3Å; I452-I484 HydrophobicContact CG2-CG2 4.25Å; I452-I486 HydrophobicContact CG2-CD1 3.99Å; I452-I506 HydrophobicContact CD1-CG2 4.43Å; I452-I506 HydrophobicContact CG2-CD1 4.3Å; I452-I506 HydrophobicContact CG2-CG1 4.08Å; I452-I509 HydrophobicContact CD1-CB 4.44Å; I452-I509 HydrophobicContact CD1-CG2 3.99Å |
| 453 | S | 98 | Very high | 96.6 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.5 | 179 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | D430 H455 I484 I486 | D430-S453 CarbonylContact O-C 3.55Å; D430-S453 VanDerWaalsContact O-CA 3.28Å; D430-S453 WeakPolarHBondContact O-CA 3.44Å; S453-H455 PolarHBondContact OG-ND1 3.46Å; S453-I484 PolarHBondContact N-O 3.37Å; S453-I486 PolarHBondContact O-N 2.93Å |
| 454 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.4 | 165.8 | -52 | 161 | 0 | 0 | 0 | 107.4 | D430 I486 L488 Y498 I501 F502 I506 | D430-I454 PolarHBondContact O-N 2.98Å; I454-I486 HydrophobicContact CG1-CB 4.19Å; I454-I486 HydrophobicContact CG1-CD1 3.89Å; I454-I486 HydrophobicContact CG2-CG2 4.45Å; I454-L488 HydrophobicContact CG2-CD1 3.62Å; I454-L488 HydrophobicContact CG2-CD2 4.24Å; I454-L488 HydrophobicContact CG2-CG 3.96Å; I454-Y498 HydrophobicContact CD1-CD1 4.33Å; I454-Y498 HydrophobicContact CD1-CE1 4.5Å; I454-Y498 HydrophobicContact CG2-CE1 4.04Å; I454-I501 HydrophobicContact CD1-CG2 3.7Å; I454-I501 HydrophobicContact CG1-CG2 3.93Å; I454-I501 HydrophobicContact CG2-CD1 4.36Å; I454-F502 HydrophobicContact CD1-CD2 4Å; I454-F502 HydrophobicContact CD1-CE2 3.59Å; I454-I506 HydrophobicContact CD1-CD1 3.46Å; I454-I506 VanDerWaalsContact CD1-CD1 3.46Å; I454-I506 HydrophobicContact CG1-CD1 3.93Å |
| 455 | H | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 155.1 | 179.6 | 50.5 | -97.9 | 0 | 0 | 0 | 111.3 | V433 Y435 S453 Y457 G469 I486 L488 | V433-H455 CarbonylContact O-C 3.43Å; V433-H455 WeakPolarHBondContact O-CA 3.34Å; V433-H455 WeakPolarHBondContact O-CB 3.43Å; Y435-H455 AromaticContact CD2-CE1 3.63Å; Y435-H455 AromaticContact CD2-ND1 3.98Å; S453-H455 PolarHBondContact OG-ND1 3.46Å; H455-Y457 PolarHBondContact O-N 3.43Å; H455-G469 PolarHBondContact CE1-O 2.81Å; H455-G469 PolarHBondContact NE2-O 3.37Å; H455-I486 PolarHBondContact N-O 3.19Å; H455-L488 WeakPolarHBondContact O-CB 3.39Å; H455-L488 PolarHBondContact O-N 3.31Å |
| 456 | R | 97.1 | Very high | 96 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 15% | 0.151 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.1 | 169.1 | -178.4 | 178.2 | 167.8 | 178.8 | -1 | 108.7 | V433 E458 F462 T491 G533 M535 | V433-R456 HydrophobicContact CG2-CB 3.83Å; V433-R456 PolarHBondContact O-N 3.08Å; R456-E458 HydrophobicContact CG-CG 4.16Å; R456-E458 IonicContact CZ-OE2 2.83Å; R456-E458 IonicContact NE-OE2 2.63Å; R456-E458 PolarHBondContact NE-OE2 2.76Å; R456-E458 IonicContact NH2-OE1 2.91Å; R456-E458 PolarHBondContact NH2-OE1 3.15Å; R456-E458 IonicContact NH2-OE2 3.16Å; R456-E458 PolarHBondContact NH2-OE2 3.48Å; R456-F462 HydrophobicContact CB-CD1 3.62Å; R456-F462 HydrophobicContact CB-CE1 3.78Å; R456-F462 HydrophobicContact CB-CG 4.15Å; R456-F462 HydrophobicContact CB-CZ 4.48Å; R456-F462 HydrophobicContact CG-CB 4.07Å; R456-F462 HydrophobicContact CG-CD1 3.68Å; R456-F462 HydrophobicContact CG-CD2 4.08Å; R456-F462 HydrophobicContact CG-CE1 4.07Å; R456-F462 HydrophobicContact CG-CE2 4.47Å; R456-F462 HydrophobicContact CG-CG 3.66Å; R456-F462 HydrophobicContact CG-CZ 4.46Å; R456-F462 VanDerWaalsContact NE-CD2 3.27Å; R456-F462 WeakPolarHBondContact O-CD1 3.46Å; R456-T491 VanDerWaalsContact CZ-CG2 3.44Å; R456-G533 VanDerWaalsContact CD-O 3.25Å; R456-G533 WeakPolarHBondContact CD-O 3.31Å; R456-G533 PolarHBondContact NH1-O 2.84Å; R456-M535 HydrophobicContact CB-CE 3.66Å; R456-M535 HydrophobicContact CG-CE 3.86Å |
| 457 | Y | 97.4 | Very high | 96 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 7% | 0.071 | 23% | 0.232 | C | C | . | . | trans | -123.6 | -40.7 | -175.7 | -173.6 | -119.8 | 0 | 0 | 0 | 112.6 | H455 H459 G460 K461 F462 M466 N470 P487 L488 N489 | H455-Y457 PolarHBondContact O-N 3.43Å; Y457-H459 PolarHBondContact O-N 3.09Å; Y457-G460 VanDerWaalsContact CE2-CA 3.49Å; Y457-G460 VanDerWaalsContact CZ-CA 3.45Å; Y457-G460 VanDerWaalsContact CZ-N 3.29Å; Y457-G460 WeakPolarHBondContact O-CA 3.35Å; Y457-G460 PolarHBondContact O-N 2.92Å; Y457-K461 PolarHBondContact O-N 2.94Å; Y457-F462 PolarHBondContact O-N 3.3Å; Y457-M466 WeakPolarHBondContact CE2-O 2.92Å; Y457-N470 HydrophobicContact CE1-CB 3.85Å; Y457-P487 VanDerWaalsContact CB-CB 3.46Å; Y457-P487 HydrophobicContact CD1-CB 3.6Å; Y457-P487 HydrophobicContact CD2-CB 4.46Å; Y457-P487 HydrophobicContact CE1-CB 4.49Å; Y457-P487 HydrophobicContact CG-CB 3.6Å; Y457-L488 PolarHBondContact N-O 2.89Å; Y457-N489 WeakPolarHBondContact CD1-OD1 3.39Å | ||
| 458 | E | 96.2 | Very high | 95.9 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | 46.4 | 47.3 | -178.8 | -65.3 | -177.3 | 97.2 | 0 | 0 | 113.3 | R456 G460 K461 F462 L488 N489 | R456-E458 HydrophobicContact CG-CG 4.16Å; R456-E458 IonicContact CZ-OE2 2.83Å; R456-E458 IonicContact NE-OE2 2.63Å; R456-E458 PolarHBondContact NE-OE2 2.76Å; R456-E458 IonicContact NH2-OE1 2.91Å; R456-E458 PolarHBondContact NH2-OE1 3.15Å; R456-E458 IonicContact NH2-OE2 3.16Å; R456-E458 PolarHBondContact NH2-OE2 3.48Å; E458-G460 VanDerWaalsContact C-N 3.28Å; E458-G460 PolarHBondContact O-N 3.25Å; E458-K461 HydrophobicContact CB-CB 4.25Å; E458-K461 VanDerWaalsContact O-CB 3.28Å; E458-K461 WeakPolarHBondContact O-CB 3.47Å; E458-K461 VanDerWaalsContact O-CG 3.31Å; E458-K461 WeakPolarHBondContact O-CG 3.37Å; E458-K461 PolarHBondContact O-N 3.13Å; E458-K461 VanDerWaalsContact O-N 3.15Å; E458-F462 HydrophobicContact CB-CB 4.31Å; E458-F462 HydrophobicContact CG-CB 4.46Å; E458-L488 PolarHBondContact N-O 3.02Å; E458-N489 PolarHBondContact N-OD1 3.4Å |
| 459 | H | 95.5 | Very high | 95.8 | Very high | 135 Ų | 135 | 46.3 Ų | 46.3 | 63% | 0.625 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | 56.2 | 39.9 | -177.3 | -50.1 | -74.7 | 0 | 0 | 0 | 113 | Y457 K461 N489 | Y457-H459 PolarHBondContact O-N 3.09Å; H459-K461 VanDerWaalsContact C-N 3.33Å; H459-N489 PolarHBondContact N-OD1 2.86Å |
| 460 | G | 93.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | 81.2 | 6.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y457 E458 R465 | Y457-G460 VanDerWaalsContact CE2-CA 3.49Å; Y457-G460 VanDerWaalsContact CZ-CA 3.45Å; Y457-G460 VanDerWaalsContact CZ-N 3.29Å; Y457-G460 WeakPolarHBondContact O-CA 3.35Å; Y457-G460 PolarHBondContact O-N 2.92Å; E458-G460 VanDerWaalsContact C-N 3.28Å; E458-G460 PolarHBondContact O-N 3.25Å; G460-R465 WeakPolarHBondContact O-CA 3.25Å; G460-R465 WeakPolarHBondContact O-CB 3.45Å |
| 461 | K | 93.3 | Very high | 95.8 | Very high | 162 Ų | 162 | 54.9 Ų | 54.9 | 70% | 0.704 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -27.2 | 178.8 | -63.3 | 176.5 | -177.1 | 174.9 | 0 | 113 | Y457 E458 H459 | Y457-K461 PolarHBondContact O-N 2.94Å; E458-K461 HydrophobicContact CB-CB 4.25Å; E458-K461 VanDerWaalsContact O-CB 3.28Å; E458-K461 WeakPolarHBondContact O-CB 3.47Å; E458-K461 VanDerWaalsContact O-CG 3.31Å; E458-K461 WeakPolarHBondContact O-CG 3.37Å; E458-K461 PolarHBondContact O-N 3.13Å; E458-K461 VanDerWaalsContact O-N 3.15Å; H459-K461 VanDerWaalsContact C-N 3.33Å |
| 462 | F | 95.1 | Very high | 95.7 | Very high | 27 Ų | 27 | 59 Ų | 59 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -79.2 | 149 | 179.3 | -168.5 | -111 | 0 | 0 | 0 | 111.5 | V433 H434 R456 Y457 E458 R465 L532 | V433-F462 HydrophobicContact CG1-CE1 4.46Å; H434-F462 AromaticContact CD2-CE1 3.35Å; H434-F462 WeakPolarHBondContact CD2-CE1 3.4Å; H434-F462 AromaticContact CD2-CZ 3.62Å; H434-F462 AromaticContact NE2-CE1 3.84Å; H434-F462 AromaticContact NE2-CZ 3.61Å; R456-F462 HydrophobicContact CB-CD1 3.62Å; R456-F462 HydrophobicContact CB-CE1 3.78Å; R456-F462 HydrophobicContact CB-CG 4.15Å; R456-F462 HydrophobicContact CB-CZ 4.48Å; R456-F462 HydrophobicContact CG-CB 4.07Å; R456-F462 HydrophobicContact CG-CD1 3.68Å; R456-F462 HydrophobicContact CG-CD2 4.08Å; R456-F462 HydrophobicContact CG-CE1 4.07Å; R456-F462 HydrophobicContact CG-CE2 4.47Å; R456-F462 HydrophobicContact CG-CG 3.66Å; R456-F462 HydrophobicContact CG-CZ 4.46Å; R456-F462 VanDerWaalsContact NE-CD2 3.27Å; R456-F462 WeakPolarHBondContact O-CD1 3.46Å; Y457-F462 PolarHBondContact O-N 3.3Å; E458-F462 HydrophobicContact CB-CB 4.31Å; E458-F462 HydrophobicContact CG-CB 4.46Å; F462-R465 WeakPolarHBondContact O-CA 3.39Å; F462-R465 WeakPolarHBondContact O-CG 3.43Å; F462-R465 PolarHBondContact O-N 3.25Å; F462-L532 WeakPolarHBondContact CZ-O 3.49Å |
| 463 | W | 91.6 | Very high | 95.7 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 137 | -177.8 | -174.5 | 98.6 | 0 | 0 | 0 | 110.4 | H395 E403 H434 | H395-W463 AromaticContact CD2-CH2 3.51Å; H395-W463 AromaticContact CD2-CZ3 3.81Å; H395-W463 AromaticContact CE1-CH2 3.57Å; H395-W463 AromaticContact CE1-CZ3 3.25Å; H395-W463 WeakPolarHBondContact CE1-CZ3 3.43Å; H395-W463 AromaticContact CG-CH2 3.69Å; H395-W463 AromaticContact ND1-CH2 3.71Å; H395-W463 AromaticContact ND1-CZ3 3.85Å; H395-W463 AromaticContact NE2-CH2 3.4Å; H395-W463 WeakPolarHBondContact NE2-CH2 3.46Å; H395-W463 AromaticContact NE2-CZ3 3.16Å; H395-W463 WeakPolarHBondContact NE2-CZ3 3.48Å; E403-W463 HydrophobicContact CB-CH2 4.42Å; E403-W463 HydrophobicContact CB-CZ2 4.28Å; E403-W463 HydrophobicContact CG-CH2 3.85Å; E403-W463 HydrophobicContact CG-CZ2 3.27Å; H434-W463 HydrophobicContact CB-CE3 4Å; H434-W463 HydrophobicContact CB-CZ3 3.85Å; H434-W463 AromaticContact CD2-CE3 3.61Å; H434-W463 AromaticContact CG-CE3 3.94Å |
| 464 | P | 93 | Very high | 95.7 | Very high | 25 Ų | 25 | 62.6 Ų | 62.6 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -88.9 | 11.1 | 13.1 | 36.2 | -36.3 | 0 | 0 | 0 | 116.1 | Y435 M466 | Y435-P464 HydrophobicContact CD1-CG 3.83Å; Y435-P464 HydrophobicContact CG-CG 4.49Å; P464-M466 HydrophobicContact CB-CG 4.34Å; P464-M466 HydrophobicContact CG-CG 4.17Å; P464-M466 HydrophobicContact CG-SD 4.46Å; P464-M466 PolarHBondContact O-N 3.26Å |
| 465 | R | 93.3 | Very high | 95.6 | Very high | 178 Ų | 178 | 63 Ų | 63 | 67% | 0.672 | 30% | 0.296 | S | S | * | . | trans | 62.1 | 40.2 | 175.6 | -50.4 | 175.8 | -172.8 | 152.1 | 5.5 | 114.2 | G460 F462 | G460-R465 WeakPolarHBondContact O-CA 3.25Å; G460-R465 WeakPolarHBondContact O-CB 3.45Å; F462-R465 WeakPolarHBondContact O-CA 3.39Å; F462-R465 WeakPolarHBondContact O-CG 3.43Å; F462-R465 PolarHBondContact O-N 3.25Å | ||
| 466 | M | 94.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 65.7 Ų | 65.7 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | trans | -105.7 | 131.9 | -179.5 | -66.6 | -167.2 | 78.8 | 0 | 0 | 110.6 | Y435 Q437 Y457 P464 E468 G469 | Y435-M466 HydrophobicContact CD1-CB 4.15Å; Y435-M466 HydrophobicContact CE1-CB 3.93Å; Y435-M466 HydrophobicContact CE1-SD 4.22Å; Q437-M466 HydrophobicContact CB-SD 3.98Å; Q437-M466 HydrophobicContact CG-SD 3.98Å; Y457-M466 WeakPolarHBondContact CE2-O 2.92Å; P464-M466 HydrophobicContact CB-CG 4.34Å; P464-M466 HydrophobicContact CG-CG 4.17Å; P464-M466 HydrophobicContact CG-SD 4.46Å; P464-M466 PolarHBondContact O-N 3.26Å; M466-E468 PolarHBondContact O-N 3.18Å; M466-G469 PolarHBondContact O-N 2.66Å | ||
| 467 | V | 95.3 | Very high | 95.6 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 62% | 0.624 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -64.3 | -27.3 | 179.4 | -169.7 | 0 | 0 | 0 | 0 | 110.9 | G469 N470 | V467-G469 PolarHBondContact O-N 2.62Å; V467-G469 VanDerWaalsContact O-N 3.17Å; V467-N470 VanDerWaalsContact O-CB 3.23Å; V467-N470 WeakPolarHBondContact O-CB 3.12Å; V467-N470 PolarHBondContact O-N 2.89Å |
| 468 | E | 95.6 | Very high | 95.5 | Very high | 78 Ų | 78 | 73.3 Ų | 73.3 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -67.3 | -11.6 | 179.6 | -59.6 | 92 | 147.1 | 0 | 0 | 114.2 | Q440 M466 S473 N485 | Q440-E468 PolarHBondContact NE2-O 2.81Å; M466-E468 PolarHBondContact O-N 3.18Å; E468-S473 VanDerWaalsContact CA-OG 3.29Å; E468-S473 WeakPolarHBondContact CA-OG 3.48Å; E468-S473 WeakPolarHBondContact O-CB 3.4Å; E468-S473 PolarHBondContact O-OG 3.36Å; E468-N485 PolarHBondContact O-ND2 2.93Å |
| 469 | G | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -78.9 | -6.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H455 M466 V467 N485 | H455-G469 PolarHBondContact CE1-O 2.81Å; H455-G469 PolarHBondContact NE2-O 3.37Å; M466-G469 PolarHBondContact O-N 2.66Å; V467-G469 PolarHBondContact O-N 2.62Å; V467-G469 VanDerWaalsContact O-N 3.17Å; G469-N485 VanDerWaalsContact O-CB 3.27Å; G469-N485 WeakPolarHBondContact O-CB 3.14Å |
| 470 | N | 97.9 | Very high | 95.6 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -79.2 | 163.8 | 179 | -164.1 | 35.9 | 0 | 0 | 0 | 112.3 | Y457 V467 D472 S473 N485 | Y457-N470 HydrophobicContact CE1-CB 3.85Å; V467-N470 VanDerWaalsContact O-CB 3.23Å; V467-N470 WeakPolarHBondContact O-CB 3.12Å; V467-N470 PolarHBondContact O-N 2.89Å; N470-D472 VanDerWaalsContact CB-OD1 3.24Å; N470-D472 WeakPolarHBondContact CB-OD1 3.24Å; N470-D472 PolarHBondContact ND2-OD1 3.47Å; N470-D472 PolarHBondContact O-N 3.43Å; N470-D472 VanDerWaalsContact O-N 3.15Å; N470-S473 PolarHBondContact O-N 3.32Å; N470-N485 WeakPolarHBondContact O-CB 3.49Å; N470-N485 PolarHBondContact O-ND2 3.2Å |
| 471 | Y | 96.9 | Very high | 95.8 | Very high | 159 Ų | 159 | 72.4 Ų | 72.4 | 62% | 0.624 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.4 | -172.1 | 67.6 | -94 | 0 | 0 | 0 | 114.7 | S473 P487 | Y471-S473 VanDerWaalsContact C-N 3.33Å; Y471-P487 HydrophobicContact CD1-CG 4.24Å |
| 472 | D | 96.7 | Very high | 96 | Very high | 94 Ų | 94 | 67.6 Ų | 67.6 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -6.1 | -178.8 | 56.6 | -28.3 | 0 | 0 | 0 | 113.5 | N470 I474 | N470-D472 VanDerWaalsContact CB-OD1 3.24Å; N470-D472 WeakPolarHBondContact CB-OD1 3.24Å; N470-D472 PolarHBondContact ND2-OD1 3.47Å; N470-D472 PolarHBondContact O-N 3.43Å; N470-D472 VanDerWaalsContact O-N 3.15Å; D472-I474 PolarHBondContact O-N 3.21Å |
| 473 | S | 97.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | trans | -85.9 | 84.6 | 174.2 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | E468 N470 Y471 N483 | E468-S473 VanDerWaalsContact CA-OG 3.29Å; E468-S473 WeakPolarHBondContact CA-OG 3.48Å; E468-S473 WeakPolarHBondContact O-CB 3.4Å; E468-S473 PolarHBondContact O-OG 3.36Å; N470-S473 PolarHBondContact O-N 3.32Å; Y471-S473 VanDerWaalsContact C-N 3.33Å; S473-N483 PolarHBondContact O-ND2 3.05Å | ||
| 474 | I | 97.7 | Very high | 96.5 | Very high | 71 Ų | 71 | 65.1 Ų | 65.1 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | trans | -101.4 | 11.5 | -167.8 | 63.5 | 167.3 | 0 | 0 | 0 | 115.4 | D472 K480 G481 N483 | D472-I474 PolarHBondContact O-N 3.21Å; I474-K480 HydrophobicContact CD1-CG 3.98Å; I474-K480 HydrophobicContact CG1-CG 4.31Å; I474-G481 PolarHBondContact O-N 3.29Å; I474-N483 WeakPolarHBondContact CA-O 3.27Å | ||
| 475 | G | 97 | Very high | 96.7 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | trans | 90.4 | 171.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y444 | Y444-G475 VanDerWaalsContact CZ-CA 3.46Å; Y444-G475 VanDerWaalsContact O-CA 3.31Å; Y444-G475 WeakPolarHBondContact O-CA 3.21Å; Y444-G475 PolarHBondContact OH-N 3.5Å | ||
| 476 | T | 97.1 | Very high | 97 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 36% | 0.356 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -132.7 | 164.4 | -179.3 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | Y444 E445 D478 G479 K480 | Y444-T476 HydrophobicContact CD1-CG2 4.2Å; Y444-T476 WeakPolarHBondContact CD1-OG1 3.43Å; Y444-T476 HydrophobicContact CE1-CG2 3.79Å; Y444-T476 PolarHBondContact O-N 2.66Å; E445-T476 WeakPolarHBondContact CA-O 3.25Å; E445-T476 WeakPolarHBondContact CG-OG1 3.33Å; T476-D478 PolarHBondContact O-N 3.47Å; T476-G479 CarbonylContact O-C 3.59Å; T476-G479 WeakPolarHBondContact O-CA 3.33Å; T476-G479 PolarHBondContact O-N 2.84Å; T476-K480 PolarHBondContact O-N 3.08Å |
| 477 | S | 96.5 | Very high | 97.1 | Very high | 90 Ų | 90 | 55.6 Ų | 55.6 | 63% | 0.629 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | 51.7 | -133.7 | 179 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | G479 K480 | S477-G479 PolarHBondContact O-N 2.84Å; S477-K480 WeakPolarHBondContact O-CB 3.28Å; S477-K480 PolarHBondContact O-N 2.83Å |
| 478 | D | 96.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 68% | 0.679 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -66.3 | -21.9 | 178.2 | -62 | -23.5 | 0 | 0 | 0 | 112.6 | S447 T476 K480 F482 | S447-D478 WeakPolarHBondContact CB-O 3.39Å; T476-D478 PolarHBondContact O-N 3.47Å; D478-K480 VanDerWaalsContact C-N 3.28Å; D478-K480 PolarHBondContact O-N 3.26Å; D478-F482 WeakPolarHBondContact O-CD2 3.35Å |
| 479 | G | 96.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -78.4 | -3.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E445 T476 S477 G481 F482 | E445-G479 VanDerWaalsContact C-N 3.29Å; E445-G479 PolarHBondContact O-N 3.34Å; E445-G479 VanDerWaalsContact O-N 3.15Å; T476-G479 CarbonylContact O-C 3.59Å; T476-G479 WeakPolarHBondContact O-CA 3.33Å; T476-G479 PolarHBondContact O-N 2.84Å; S477-G479 PolarHBondContact O-N 2.84Å; G479-G481 PolarHBondContact O-N 3.08Å; G479-F482 WeakPolarHBondContact O-CB 3.48Å; G479-F482 PolarHBondContact O-N 3.01Å |
| 480 | K | 97.6 | Very high | 97.2 | Very high | 142 Ų | 142 | 57 Ų | 57 | 62% | 0.617 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 121.1 | 178.6 | -172.4 | 179.5 | -178.3 | 179.7 | 0 | 110.8 | I474 T476 S477 D478 | I474-K480 HydrophobicContact CD1-CG 3.98Å; I474-K480 HydrophobicContact CG1-CG 4.31Å; T476-K480 PolarHBondContact O-N 3.08Å; S477-K480 WeakPolarHBondContact O-CB 3.28Å; S477-K480 PolarHBondContact O-N 2.83Å; D478-K480 VanDerWaalsContact C-N 3.28Å; D478-K480 PolarHBondContact O-N 3.26Å |
| 481 | G | 96.6 | Very high | 97.1 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 46% | 0.464 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -4.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I474 G479 | I474-G481 PolarHBondContact O-N 3.29Å; G479-G481 PolarHBondContact O-N 3.08Å |
| 482 | F | 97.8 | Very high | 97 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -108.4 | 11.8 | -179.2 | -60.9 | -86.8 | 0 | 0 | 0 | 113.6 | S447 L450 C451 D478 G479 Y513 | S447-F482 VanDerWaalsContact CB-CE2 3.48Å; L450-F482 WeakPolarHBondContact CA-O 3.5Å; L450-F482 HydrophobicContact CD1-CB 4.3Å; L450-F482 HydrophobicContact CD1-CD1 4.43Å; L450-F482 WeakPolarHBondContact CD1-O 3.27Å; C451-F482 PolarHBondContact N-O 2.83Å; D478-F482 WeakPolarHBondContact O-CD2 3.35Å; G479-F482 WeakPolarHBondContact O-CB 3.48Å; G479-F482 PolarHBondContact O-N 3.01Å; F482-Y513 HydrophobicContact CD1-CD2 4.12Å; F482-Y513 AromaticContact CD1-CE2 3.7Å; F482-Y513 HydrophobicContact CD1-CE2 3.7Å; F482-Y513 AromaticContact CE1-CD2 3.79Å; F482-Y513 HydrophobicContact CE1-CD2 3.79Å; F482-Y513 AromaticContact CE1-CE2 3.51Å; F482-Y513 HydrophobicContact CE1-CE2 3.51Å |
| 483 | N | 98.4 | Very high | 97 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.5 | 165.2 | -169.9 | 80.1 | 0 | 0 | 0 | 109.9 | Q440 Y444 C451 S473 I474 N485 | Q440-N483 VanDerWaalsContact CG-OD1 3.31Å; Q440-N483 WeakPolarHBondContact CG-OD1 3.48Å; Q440-N483 PolarHBondContact OE1-ND2 3.02Å; Q440-N483 PolarHBondContact OE1-OD1 2.88Å; Y444-N483 HydrophobicContact CD2-CB 4.29Å; Y444-N483 HydrophobicContact CE2-CB 4.22Å; C451-N483 CarbonylContact O-C 3.58Å; C451-N483 WeakPolarHBondContact O-CA 3.23Å; S473-N483 PolarHBondContact O-ND2 3.05Å; I474-N483 WeakPolarHBondContact CA-O 3.27Å; N483-N485 PolarHBondContact ND2-ND2 2.73Å |
| 484 | I | 98.3 | Very high | 97 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 112.2 | -176.7 | -59.3 | 172.4 | 0 | 0 | 0 | 108.6 | L450 C451 I452 S453 I486 I509 | L450-I484 HydrophobicContact CD1-CD1 4.05Å; L450-I484 HydrophobicContact CD1-CG1 4.41Å; C451-I484 PolarHBondContact O-N 3.12Å; I452-I484 CarbonylContact C-O 3.59Å; I452-I484 VanDerWaalsContact CA-O 3.32Å; I452-I484 WeakPolarHBondContact CA-O 3.35Å; I452-I484 HydrophobicContact CD1-CD1 4.39Å; I452-I484 HydrophobicContact CG1-CB 4.29Å; I452-I484 HydrophobicContact CG1-CD1 4.3Å; I452-I484 HydrophobicContact CG2-CB 4.3Å; I452-I484 HydrophobicContact CG2-CG2 4.25Å; S453-I484 PolarHBondContact N-O 3.37Å; I484-I486 HydrophobicContact CG2-CG1 4.29Å; I484-I509 HydrophobicContact CD1-CD1 3.63Å; I484-I509 HydrophobicContact CD1-CG2 3.72Å |
| 485 | N | 98.3 | Very high | 96.9 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.8 | 171.2 | -69.4 | -38.7 | 0 | 0 | 0 | 110.3 | Q440 E468 G469 N470 N483 P487 | Q440-N485 PolarHBondContact OE1-ND2 3.41Å; Q440-N485 PolarHBondContact OE1-OD1 2.84Å; E468-N485 PolarHBondContact O-ND2 2.93Å; G469-N485 VanDerWaalsContact O-CB 3.27Å; G469-N485 WeakPolarHBondContact O-CB 3.14Å; N470-N485 WeakPolarHBondContact O-CB 3.49Å; N470-N485 PolarHBondContact O-ND2 3.2Å; N483-N485 PolarHBondContact ND2-ND2 2.73Å; N485-P487 VanDerWaalsContact C-CD 3.4Å; N485-P487 WeakPolarHBondContact O-CD 3.44Å |
| 486 | I | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 10% | 0.097 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 81.6 | 175.3 | -55.5 | 170.1 | 0 | 0 | 0 | 106.9 | I452 S453 I454 H455 I484 L488 I501 I505 I506 | I452-I486 HydrophobicContact CG2-CD1 3.99Å; S453-I486 PolarHBondContact O-N 2.93Å; I454-I486 HydrophobicContact CG1-CB 4.19Å; I454-I486 HydrophobicContact CG1-CD1 3.89Å; I454-I486 HydrophobicContact CG2-CG2 4.45Å; H455-I486 PolarHBondContact N-O 3.19Å; I484-I486 HydrophobicContact CG2-CG1 4.29Å; I486-L488 HydrophobicContact CG2-CD2 4.38Å; I486-L488 PolarHBondContact O-N 3.42Å; I486-I501 HydrophobicContact CD1-CG2 3.73Å; I486-I501 HydrophobicContact CG2-CD1 4.36Å; I486-I501 HydrophobicContact CG2-CG2 4.11Å; I486-I505 HydrophobicContact CD1-CB 4.42Å; I486-I505 HydrophobicContact CD1-CD1 4.5Å; I486-I505 HydrophobicContact CD1-CG2 3.9Å; I486-I506 HydrophobicContact CD1-CD1 4.38Å; I486-I506 HydrophobicContact CD1-CG1 4.1Å |
| 487 | P | 98 | Very high | 96.9 | Very high | 21 Ų | 21 | 56.1 Ų | 56.1 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 116.3 | -175.6 | 29.6 | -35.4 | 0 | 0 | 0 | 111.4 | Y457 Y471 N485 N489 | Y457-P487 VanDerWaalsContact CB-CB 3.46Å; Y457-P487 HydrophobicContact CD1-CB 3.6Å; Y457-P487 HydrophobicContact CD2-CB 4.46Å; Y457-P487 HydrophobicContact CE1-CB 4.49Å; Y457-P487 HydrophobicContact CG-CB 3.6Å; Y471-P487 HydrophobicContact CD1-CG 4.24Å; N485-P487 VanDerWaalsContact C-CD 3.4Å; N485-P487 WeakPolarHBondContact O-CD 3.44Å; P487-N489 PolarHBondContact O-N 3.36Å |
| 488 | L | 98 | Very high | 97 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 111.1 | 177.6 | -54.2 | 178.8 | 0 | 0 | 0 | 110.1 | I454 H455 Y457 E458 I486 Q490 L493 Y498 I501 M535 | I454-L488 HydrophobicContact CG2-CD1 3.62Å; I454-L488 HydrophobicContact CG2-CD2 4.24Å; I454-L488 HydrophobicContact CG2-CG 3.96Å; H455-L488 WeakPolarHBondContact O-CB 3.39Å; H455-L488 PolarHBondContact O-N 3.31Å; Y457-L488 PolarHBondContact N-O 2.89Å; E458-L488 PolarHBondContact N-O 3.02Å; I486-L488 HydrophobicContact CG2-CD2 4.38Å; I486-L488 PolarHBondContact O-N 3.42Å; L488-Q490 VanDerWaalsContact C-N 3.31Å; L488-L493 HydrophobicContact CB-CD1 3.99Å; L488-L493 HydrophobicContact CD1-CD1 3.86Å; L488-L493 HydrophobicContact CD2-CD1 4.06Å; L488-L493 HydrophobicContact CG-CD1 4.18Å; L488-Y498 HydrophobicContact CD1-CE2 3.82Å; L488-I501 HydrophobicContact CD2-CD1 3.75Å; L488-M535 HydrophobicContact CB-CE 4.23Å; L488-M535 HydrophobicContact CD1-CE 4.12Å |
| 489 | N | 96.8 | Very high | 97 | Very high | 60 Ų | 60 | 48 Ų | 48 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | trans | -93.3 | 15 | -178.5 | -66.8 | -45.8 | 0 | 0 | 0 | 113.7 | Y457 E458 H459 P487 | Y457-N489 WeakPolarHBondContact CD1-OD1 3.39Å; E458-N489 PolarHBondContact N-OD1 3.4Å; H459-N489 PolarHBondContact N-OD1 2.86Å; P487-N489 PolarHBondContact O-N 3.36Å | ||
| 490 | Q | 93.9 | Very high | 97.1 | Very high | 135 Ų | 135 | 49.7 Ų | 49.7 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | trans | -135.1 | 146.9 | 176.9 | -67.3 | -178.1 | -11.1 | 0 | 0 | 109.3 | L488 L493 M535 | L488-Q490 VanDerWaalsContact C-N 3.31Å; Q490-L493 HydrophobicContact CB-CD2 4.29Å; Q490-L493 HydrophobicContact CB-CG 4.48Å; Q490-M535 WeakPolarHBondContact O-CE 3.38Å | ||
| 491 | T | 94.9 | Very high | 97.1 | Very high | 57 Ų | 57 | 44 Ų | 44 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -92.8 | 174.3 | 171.8 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | R456 L493 G534 | R456-T491 VanDerWaalsContact CZ-CG2 3.44Å; T491-L493 PolarHBondContact O-N 3.34Å; T491-L493 VanDerWaalsContact O-N 3.16Å; T491-G534 WeakPolarHBondContact CB-O 3.45Å |
| 492 | E | 94.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 38% | 0.379 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 64.8 | 16.1 | 172.7 | -58.8 | -68 | 113.6 | 0 | 0 | 115.1 | G534 R536 | E492-G534 PolarHBondContact N-O 2.85Å; E492-R536 PolarHBondContact O-NE 2.97Å; E492-R536 VanDerWaalsContact O-NE 3.15Å; E492-R536 PolarHBondContact O-NH2 2.87Å; E492-R536 VanDerWaalsContact O-NH2 3.09Å; E492-R536 WeakPolarHBondContact OE2-CD 3.45Å; E492-R536 WeakPolarHBondContact OE2-CG 3.07Å; E492-R536 IonicContact OE2-CZ 3.53Å; E492-R536 VanDerWaalsContact OE2-CZ 3.31Å; E492-R536 IonicContact OE2-NE 3.11Å; E492-R536 PolarHBondContact OE2-NE 2.85Å; E492-R536 IonicContact OE2-NH1 3.31Å; E492-R536 PolarHBondContact OE2-NH1 3.17Å |
| 493 | L | 97 | Very high | 97 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | trans | -62.6 | 152.1 | 172.6 | -61.4 | 175.5 | 0 | 0 | 0 | 110.6 | L488 Q490 T491 D497 M535 R536 | L488-L493 HydrophobicContact CB-CD1 3.99Å; L488-L493 HydrophobicContact CD1-CD1 3.86Å; L488-L493 HydrophobicContact CD2-CD1 4.06Å; L488-L493 HydrophobicContact CG-CD1 4.18Å; Q490-L493 HydrophobicContact CB-CD2 4.29Å; Q490-L493 HydrophobicContact CB-CG 4.48Å; T491-L493 PolarHBondContact O-N 3.34Å; T491-L493 VanDerWaalsContact O-N 3.16Å; L493-D497 HydrophobicContact CB-CB 4.13Å; L493-D497 HydrophobicContact CD2-CB 4.33Å; L493-M535 HydrophobicContact CB-SD 3.83Å; L493-M535 HydrophobicContact CD1-CE 4.45Å; L493-M535 HydrophobicContact CD1-SD 4.36Å; L493-M535 HydrophobicContact CG-SD 4.18Å; L493-R536 PolarHBondContact O-N 2.88Å | ||
| 494 | T | 97.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | trans | -122.1 | -178.5 | -166.9 | 66.3 | 0 | 0 | 0 | 0 | 111.8 | V496 D497 Y498 R536 | T494-V496 PolarHBondContact O-N 2.91Å; T494-D497 PolarHBondContact N-OD2 3.47Å; T494-D497 PolarHBondContact O-N 3.07Å; T494-D497 VanDerWaalsContact O-N 3.14Å; T494-D497 PolarHBondContact OG1-OD2 2.82Å; T494-Y498 PolarHBondContact O-N 3.4Å; T494-R536 HydrophobicContact CG2-CB 4.42Å | ||
| 495 | D | 96.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -52.2 | -40.1 | 176.9 | -59.4 | -14.5 | 0 | 0 | 0 | 112.8 | D497 Y498 L499 L537 N538 V541 | D495-D497 VanDerWaalsContact C-N 3.28Å; D495-D497 PolarHBondContact O-N 3.2Å; D495-Y498 PolarHBondContact O-N 3Å; D495-L499 HydrophobicContact CB-CD1 4.4Å; D495-L499 VanDerWaalsContact O-CB 3.28Å; D495-L499 WeakPolarHBondContact O-CB 3.44Å; D495-L499 WeakPolarHBondContact O-CD1 3.48Å; D495-L499 WeakPolarHBondContact O-CG 3.45Å; D495-L499 PolarHBondContact O-N 2.93Å; D495-L537 WeakPolarHBondContact OD1-CA 3.41Å; D495-N538 PolarHBondContact OD1-N 3.04Å; D495-N538 WeakPolarHBondContact OD2-CB 3.16Å; D495-V541 HydrophobicContact CB-CB 4.21Å; D495-V541 HydrophobicContact CB-CG2 3.82Å |
| 496 | V | 96.6 | Very high | 96.8 | Very high | 106 Ų | 106 | 50.3 Ų | 50.3 | 64% | 0.642 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62 | -39.8 | -177.3 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | T494 A500 | T494-V496 PolarHBondContact O-N 2.91Å; V496-A500 VanDerWaalsContact O-CB 3.26Å; V496-A500 WeakPolarHBondContact O-CB 3.24Å; V496-A500 PolarHBondContact O-N 3.44Å |
| 497 | D | 97.8 | Very high | 96.7 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.2 | -46.1 | -179.5 | -53.3 | -72.9 | 0 | 0 | 0 | 110.7 | L493 T494 D495 A500 I501 | L493-D497 HydrophobicContact CB-CB 4.13Å; L493-D497 HydrophobicContact CD2-CB 4.33Å; T494-D497 PolarHBondContact N-OD2 3.47Å; T494-D497 PolarHBondContact O-N 3.07Å; T494-D497 VanDerWaalsContact O-N 3.14Å; T494-D497 PolarHBondContact OG1-OD2 2.82Å; D495-D497 VanDerWaalsContact C-N 3.28Å; D495-D497 PolarHBondContact O-N 3.2Å; D497-A500 PolarHBondContact O-N 2.65Å; D497-I501 WeakPolarHBondContact O-CD1 3.48Å; D497-I501 VanDerWaalsContact O-CG1 3.24Å; D497-I501 WeakPolarHBondContact O-CG1 3.3Å; D497-I501 PolarHBondContact O-N 3.09Å |
| 498 | Y | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 178.3 | -86.3 | -113.2 | 0 | 0 | 0 | 112.4 | I454 L488 T494 D495 A500 I501 F502 L537 L545 | I454-Y498 HydrophobicContact CD1-CD1 4.33Å; I454-Y498 HydrophobicContact CD1-CE1 4.5Å; I454-Y498 HydrophobicContact CG2-CE1 4.04Å; L488-Y498 HydrophobicContact CD1-CE2 3.82Å; T494-Y498 PolarHBondContact O-N 3.4Å; D495-Y498 PolarHBondContact O-N 3Å; Y498-A500 VanDerWaalsContact C-N 3.34Å; Y498-I501 PolarHBondContact O-N 3.09Å; Y498-F502 WeakPolarHBondContact O-CD2 3.22Å; Y498-F502 PolarHBondContact O-N 2.97Å; Y498-L537 HydrophobicContact CD1-CD2 3.66Å; Y498-L537 HydrophobicContact CD2-CD1 3.63Å; Y498-L537 HydrophobicContact CD2-CD2 4.02Å; Y498-L537 HydrophobicContact CD2-CG 4.17Å; Y498-L537 HydrophobicContact CE1-CD2 3.79Å; Y498-L537 HydrophobicContact CE2-CD1 3.54Å; Y498-L537 HydrophobicContact CE2-CD2 4.17Å; Y498-L537 HydrophobicContact CE2-CG 4.39Å; Y498-L537 HydrophobicContact CG-CD1 4.22Å; Y498-L537 HydrophobicContact CG-CD2 3.75Å; Y498-L537 HydrophobicContact CG-CG 4.27Å; Y498-L545 HydrophobicContact CD1-CD1 4.31Å |
| 499 | L | 96.8 | Very high | 96.6 | Very high | 45 Ų | 45 | 56.7 Ų | 56.7 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.8 | -72.3 | 168 | 0 | 0 | 0 | 111.2 | D495 F502 Q503 V541 H544 L545 M548 | D495-L499 HydrophobicContact CB-CD1 4.4Å; D495-L499 VanDerWaalsContact O-CB 3.28Å; D495-L499 WeakPolarHBondContact O-CB 3.44Å; D495-L499 WeakPolarHBondContact O-CD1 3.48Å; D495-L499 WeakPolarHBondContact O-CG 3.45Å; D495-L499 PolarHBondContact O-N 2.93Å; L499-F502 PolarHBondContact O-N 3.41Å; L499-Q503 WeakPolarHBondContact O-CB 3.48Å; L499-Q503 VanDerWaalsContact O-CG 3.29Å; L499-Q503 WeakPolarHBondContact O-CG 3.23Å; L499-Q503 PolarHBondContact O-N 2.86Å; L499-V541 HydrophobicContact CD1-CG2 4.32Å; L499-V541 HydrophobicContact CD2-CG2 4.14Å; L499-V541 HydrophobicContact CG-CG2 3.98Å; L499-H544 HydrophobicContact CD2-CB 4.26Å; L499-L545 HydrophobicContact CD2-CD2 4.18Å; L499-M548 HydrophobicContact CD2-CE 3.52Å; L499-M548 HydrophobicContact CD2-SD 4.43Å |
| 500 | A | 97.5 | Very high | 96.6 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 31% | 0.306 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V496 D497 Y498 F502 Q503 H504 | V496-A500 VanDerWaalsContact O-CB 3.26Å; V496-A500 WeakPolarHBondContact O-CB 3.24Å; V496-A500 PolarHBondContact O-N 3.44Å; D497-A500 PolarHBondContact O-N 2.65Å; Y498-A500 VanDerWaalsContact C-N 3.34Å; A500-F502 VanDerWaalsContact C-N 3.32Å; A500-F502 PolarHBondContact O-N 3.3Å; A500-Q503 PolarHBondContact O-N 3.31Å; A500-H504 VanDerWaalsContact O-CB 3.3Å; A500-H504 WeakPolarHBondContact O-CB 3.31Å; A500-H504 PolarHBondContact O-CD2 2.97Å; A500-H504 VanDerWaalsContact O-CD2 3.23Å; A500-H504 PolarHBondContact O-N 3.47Å |
| 501 | I | 98 | Very high | 96.6 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 174.8 | -69.9 | 162.7 | 0 | 0 | 0 | 110.9 | I454 I486 L488 D497 Y498 I505 I506 | I454-I501 HydrophobicContact CD1-CG2 3.7Å; I454-I501 HydrophobicContact CG1-CG2 3.93Å; I454-I501 HydrophobicContact CG2-CD1 4.36Å; I486-I501 HydrophobicContact CD1-CG2 3.73Å; I486-I501 HydrophobicContact CG2-CD1 4.36Å; I486-I501 HydrophobicContact CG2-CG2 4.11Å; L488-I501 HydrophobicContact CD2-CD1 3.75Å; D497-I501 WeakPolarHBondContact O-CD1 3.48Å; D497-I501 VanDerWaalsContact O-CG1 3.24Å; D497-I501 WeakPolarHBondContact O-CG1 3.3Å; D497-I501 PolarHBondContact O-N 3.09Å; Y498-I501 PolarHBondContact O-N 3.09Å; I501-I505 WeakPolarHBondContact O-CA 3.18Å; I501-I505 VanDerWaalsContact O-CB 3.32Å; I501-I505 WeakPolarHBondContact O-CB 3.31Å; I501-I505 PolarHBondContact O-N 3.37Å; I501-I506 HydrophobicContact CG2-CD1 4.29Å; I501-I506 HydrophobicContact CG2-CG1 4.36Å; I501-I506 PolarHBondContact O-N 3.41Å; I501-I506 VanDerWaalsContact O-N 3.17Å |
| 502 | F | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -62 | -49.3 | 178.4 | -96.7 | -109.1 | 0 | 0 | 0 | 111.9 | V429 W431 I454 Y498 L499 A500 I506 L507 L545 M548 L549 | V429-F502 HydrophobicContact CG1-CZ 4.16Å; W431-F502 AromaticContact CE3-CZ 3.71Å; W431-F502 HydrophobicContact CE3-CZ 3.71Å; W431-F502 HydrophobicContact CZ3-CE1 4.43Å; W431-F502 AromaticContact CZ3-CZ 3.95Å; W431-F502 HydrophobicContact CZ3-CZ 3.95Å; I454-F502 HydrophobicContact CD1-CD2 4Å; I454-F502 HydrophobicContact CD1-CE2 3.59Å; Y498-F502 WeakPolarHBondContact O-CD2 3.22Å; Y498-F502 PolarHBondContact O-N 2.97Å; L499-F502 PolarHBondContact O-N 3.41Å; A500-F502 VanDerWaalsContact C-N 3.32Å; A500-F502 PolarHBondContact O-N 3.3Å; F502-I506 HydrophobicContact CD1-CD1 4.47Å; F502-I506 HydrophobicContact CD1-CG2 4.48Å; F502-I506 HydrophobicContact CD2-CD1 3.77Å; F502-I506 HydrophobicContact CE1-CD1 4.38Å; F502-I506 HydrophobicContact CE2-CD1 3.68Å; F502-I506 HydrophobicContact CG-CD1 4.18Å; F502-I506 HydrophobicContact CZ-CD1 4Å; F502-I506 PolarHBondContact O-N 2.92Å; F502-L507 WeakPolarHBondContact O-CB 3.37Å; F502-L507 VanDerWaalsContact O-CG 3.31Å; F502-L507 WeakPolarHBondContact O-CG 3.42Å; F502-L507 PolarHBondContact O-N 3.45Å; F502-L545 HydrophobicContact CB-CD2 4.33Å; F502-L545 HydrophobicContact CD1-CB 4.37Å; F502-L545 HydrophobicContact CD1-CD2 4.08Å; F502-L545 HydrophobicContact CD2-CD1 4.36Å; F502-L545 HydrophobicContact CD2-CD2 3.59Å; F502-L545 HydrophobicContact CD2-CG 4.4Å; F502-L545 HydrophobicContact CE1-CB 3.84Å; F502-L545 HydrophobicContact CE1-CD2 4.27Å; F502-L545 HydrophobicContact CE1-CG 4.49Å; F502-L545 HydrophobicContact CE2-CB 4.23Å; F502-L545 HydrophobicContact CE2-CD1 3.77Å; F502-L545 HydrophobicContact CE2-CD2 3.8Å; F502-L545 HydrophobicContact CE2-CG 4.11Å; F502-L545 HydrophobicContact CG-CD2 3.73Å; F502-L545 HydrophobicContact CZ-CB 3.76Å; F502-L545 HydrophobicContact CZ-CD1 4.05Å; F502-L545 HydrophobicContact CZ-CD2 4.14Å; F502-L545 HydrophobicContact CZ-CG 4.17Å; F502-M548 HydrophobicContact CB-SD 3.96Å; F502-M548 HydrophobicContact CD1-CB 4.44Å; F502-M548 HydrophobicContact CD1-SD 4.33Å; F502-L549 HydrophobicContact CE1-CD1 3.95Å; F502-L549 HydrophobicContact CE1-CD2 4.32Å; F502-L549 HydrophobicContact CE1-CG 3.99Å |
| 503 | Q | 95.9 | Very high | 96.8 | Very high | 98 Ų | 98 | 54.8 Ų | 54.8 | 46% | 0.458 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -70.2 | -39.1 | -175.7 | -71.4 | 176.3 | -17.7 | 0 | 0 | 113.3 | L499 A500 M548 | L499-Q503 WeakPolarHBondContact O-CB 3.48Å; L499-Q503 VanDerWaalsContact O-CG 3.29Å; L499-Q503 WeakPolarHBondContact O-CG 3.23Å; L499-Q503 PolarHBondContact O-N 2.86Å; A500-Q503 PolarHBondContact O-N 3.31Å; Q503-M548 HydrophobicContact CG-CE 4.25Å; Q503-M548 HydrophobicContact CG-SD 4.43Å |
| 504 | H | 96.1 | Very high | 96.7 | Very high | 130 Ų | 130 | 59.8 Ų | 59.8 | 60% | 0.602 | 31% | 0.308 | S | S | * | . | I | π-helix | trans | -96.7 | -15.5 | -172.5 | -65 | -63.4 | 0 | 0 | 0 | 114.5 | A500 L508 | A500-H504 VanDerWaalsContact O-CB 3.3Å; A500-H504 WeakPolarHBondContact O-CB 3.31Å; A500-H504 PolarHBondContact O-CD2 2.97Å; A500-H504 VanDerWaalsContact O-CD2 3.23Å; A500-H504 PolarHBondContact O-N 3.47Å; H504-L508 WeakPolarHBondContact O-CD1 3.35Å |
| 505 | I | 96.7 | Very high | 96.6 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 32% | 0.318 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -124.4 | -64.6 | -178.6 | -52.5 | 178.5 | 0 | 0 | 0 | 109.9 | I486 I501 L507 I509 | I486-I505 HydrophobicContact CD1-CB 4.42Å; I486-I505 HydrophobicContact CD1-CD1 4.5Å; I486-I505 HydrophobicContact CD1-CG2 3.9Å; I501-I505 WeakPolarHBondContact O-CA 3.18Å; I501-I505 VanDerWaalsContact O-CB 3.32Å; I501-I505 WeakPolarHBondContact O-CB 3.31Å; I501-I505 PolarHBondContact O-N 3.37Å; I505-L507 PolarHBondContact O-N 3.05Å; I505-I509 HydrophobicContact CG2-CD1 3.81Å; I505-I509 WeakPolarHBondContact O-CB 3.12Å; I505-I509 VanDerWaalsContact O-CG1 3.24Å; I505-I509 WeakPolarHBondContact O-CG1 3.49Å; I505-I509 PolarHBondContact O-N 2.83Å |
| 506 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -65.1 | -49.6 | -167.4 | -60.7 | -174.5 | 0 | 0 | 0 | 111.7 | V429 I452 I454 I486 I501 F502 I509 A510 L549 | V429-I506 HydrophobicContact CG1-CD1 4.22Å; V429-I506 HydrophobicContact CG2-CG2 4.24Å; I452-I506 HydrophobicContact CD1-CG2 4.43Å; I452-I506 HydrophobicContact CG2-CD1 4.3Å; I452-I506 HydrophobicContact CG2-CG1 4.08Å; I454-I506 HydrophobicContact CD1-CD1 3.46Å; I454-I506 VanDerWaalsContact CD1-CD1 3.46Å; I454-I506 HydrophobicContact CG1-CD1 3.93Å; I486-I506 HydrophobicContact CD1-CD1 4.38Å; I486-I506 HydrophobicContact CD1-CG1 4.1Å; I501-I506 HydrophobicContact CG2-CD1 4.29Å; I501-I506 HydrophobicContact CG2-CG1 4.36Å; I501-I506 PolarHBondContact O-N 3.41Å; I501-I506 VanDerWaalsContact O-N 3.17Å; F502-I506 HydrophobicContact CD1-CD1 4.47Å; F502-I506 HydrophobicContact CD1-CG2 4.48Å; F502-I506 HydrophobicContact CD2-CD1 3.77Å; F502-I506 HydrophobicContact CE1-CD1 4.38Å; F502-I506 HydrophobicContact CE2-CD1 3.68Å; F502-I506 HydrophobicContact CG-CD1 4.18Å; F502-I506 HydrophobicContact CZ-CD1 4Å; F502-I506 PolarHBondContact O-N 2.92Å; I506-I509 PolarHBondContact O-N 2.95Å; I506-A510 WeakPolarHBondContact O-CB 3.27Å; I506-A510 PolarHBondContact O-N 2.78Å; I506-L549 HydrophobicContact CG2-CD2 4.08Å |
| 507 | L | 95.9 | Very high | 95.7 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | -175.1 | -69.5 | 178.6 | 0 | 0 | 0 | 112.5 | F502 I505 I509 A510 I511 M548 L549 I552 | F502-L507 WeakPolarHBondContact O-CB 3.37Å; F502-L507 VanDerWaalsContact O-CG 3.31Å; F502-L507 WeakPolarHBondContact O-CG 3.42Å; F502-L507 PolarHBondContact O-N 3.45Å; I505-L507 PolarHBondContact O-N 3.05Å; L507-I509 VanDerWaalsContact C-N 3.32Å; L507-I509 PolarHBondContact O-N 3.43Å; L507-A510 PolarHBondContact O-N 3.21Å; L507-I511 WeakPolarHBondContact O-CB 3.41Å; L507-I511 WeakPolarHBondContact O-CD1 3.32Å; L507-I511 WeakPolarHBondContact O-CG1 3.2Å; L507-I511 PolarHBondContact O-N 3.41Å; L507-M548 HydrophobicContact CD1-CB 4.05Å; L507-M548 HydrophobicContact CD1-CG 4.22Å; L507-M548 HydrophobicContact CD1-SD 4.16Å; L507-M548 HydrophobicContact CD2-CB 4.05Å; L507-M548 VanDerWaalsContact CD2-O 3.27Å; L507-M548 WeakPolarHBondContact CD2-O 3.06Å; L507-L549 HydrophobicContact CD2-CD2 4.3Å; L507-I552 HydrophobicContact CD2-CD1 4.09Å; L507-I552 HydrophobicContact CD2-CG1 4.37Å |
| 508 | L | 95.7 | Very high | 95.2 | Very high | 107 Ų | 107 | 51 Ų | 51 | 56% | 0.56 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 178.4 | -61 | -177.2 | 0 | 0 | 0 | 111.1 | H504 E512 | H504-L508 WeakPolarHBondContact O-CD1 3.35Å; L508-E512 PolarHBondContact O-N 3.37Å; L508-E512 VanDerWaalsContact O-N 3.16Å |
| 509 | I | 97.2 | Very high | 94.8 | Very high | 53 Ų | 53 | 51.3 Ų | 51.3 | 27% | 0.272 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 179.5 | -65 | 175.1 | 0 | 0 | 0 | 111.1 | L450 I452 I484 I505 I506 L507 I511 E512 Y513 | L450-I509 HydrophobicContact CD2-CG2 3.75Å; I452-I509 HydrophobicContact CD1-CB 4.44Å; I452-I509 HydrophobicContact CD1-CG2 3.99Å; I484-I509 HydrophobicContact CD1-CD1 3.63Å; I484-I509 HydrophobicContact CD1-CG2 3.72Å; I505-I509 HydrophobicContact CG2-CD1 3.81Å; I505-I509 WeakPolarHBondContact O-CB 3.12Å; I505-I509 VanDerWaalsContact O-CG1 3.24Å; I505-I509 WeakPolarHBondContact O-CG1 3.49Å; I505-I509 PolarHBondContact O-N 2.83Å; I506-I509 PolarHBondContact O-N 2.95Å; L507-I509 VanDerWaalsContact C-N 3.32Å; L507-I509 PolarHBondContact O-N 3.43Å; I509-I511 VanDerWaalsContact C-N 3.33Å; I509-I511 PolarHBondContact O-N 2.87Å; I509-E512 PolarHBondContact O-N 2.75Å; I509-Y513 WeakPolarHBondContact O-CB 3.14Å; I509-Y513 PolarHBondContact O-N 3.11Å |
| 510 | A | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L427 I506 L507 E514 P515 I552 | L427-A510 HydrophobicContact CD2-CB 3.6Å; I506-A510 WeakPolarHBondContact O-CB 3.27Å; I506-A510 PolarHBondContact O-N 2.78Å; L507-A510 PolarHBondContact O-N 3.21Å; A510-E514 PolarHBondContact O-N 3.49Å; A510-P515 WeakPolarHBondContact O-CD 3.45Å; A510-I552 HydrophobicContact CB-CD1 4.16Å; A510-I552 HydrophobicContact CB-CG1 4.34Å; A510-I552 HydrophobicContact CB-CG2 3.94Å |
| 511 | I | 94.4 | Very high | 94.1 | Very high | 107 Ų | 107 | 47.4 Ų | 47.4 | 55% | 0.549 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.8 | -47.9 | 174.8 | -70.2 | 164.9 | 0 | 0 | 0 | 110.2 | L507 I509 Y513 E514 I552 | L507-I511 WeakPolarHBondContact O-CB 3.41Å; L507-I511 WeakPolarHBondContact O-CD1 3.32Å; L507-I511 WeakPolarHBondContact O-CG1 3.2Å; L507-I511 PolarHBondContact O-N 3.41Å; I509-I511 VanDerWaalsContact C-N 3.33Å; I509-I511 PolarHBondContact O-N 2.87Å; I511-Y513 VanDerWaalsContact C-N 3.31Å; I511-Y513 PolarHBondContact O-N 3.38Å; I511-E514 VanDerWaalsContact O-CG 3.31Å; I511-E514 WeakPolarHBondContact O-CG 3.43Å; I511-E514 PolarHBondContact O-N 2.89Å; I511-I552 HydrophobicContact CD1-CD1 4.49Å; I511-I552 HydrophobicContact CG1-CD1 3.67Å |
| 512 | E | 96.2 | Very high | 93.6 | Very high | 164 Ų | 164 | 46.3 Ų | 46.3 | 77% | 0.766 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.4 | -37.8 | 179.2 | -174.4 | 65.7 | -164.2 | 0 | 0 | 112.4 | L508 I509 E514 | L508-E512 PolarHBondContact O-N 3.37Å; L508-E512 VanDerWaalsContact O-N 3.16Å; I509-E512 PolarHBondContact O-N 2.75Å; E512-E514 VanDerWaalsContact C-N 3.3Å; E512-E514 PolarHBondContact O-N 2.82Å |
| 513 | Y | 97.3 | Very high | 93.1 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 9% | 0.09 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -73.7 | -19.9 | 179.3 | -177.5 | -116.1 | 0 | 0 | 0 | 113.6 | R425 I426 S447 E448 V449 L450 F482 I509 I511 P515 | R425-Y513 HydrophobicContact CB-CE1 3.94Å; R425-Y513 HydrophobicContact CB-CE2 4.5Å; R425-Y513 VanDerWaalsContact CD-O 3.27Å; R425-Y513 WeakPolarHBondContact CD-O 3.27Å; R425-Y513 HydrophobicContact CG-CE2 4.29Å; R425-Y513 PolarHBondContact NE-O 2.63Å; I426-Y513 WeakPolarHBondContact O-CE1 3.49Å; S447-Y513 PolarHBondContact O-OH 3.3Å; E448-Y513 PolarHBondContact O-OH 3.2Å; V449-Y513 PolarHBondContact N-OH 2.84Å; L450-Y513 HydrophobicContact CB-CD1 3.67Å; L450-Y513 HydrophobicContact CB-CD2 4.28Å; L450-Y513 HydrophobicContact CB-CE1 3.49Å; L450-Y513 VanDerWaalsContact CB-CE1 3.49Å; L450-Y513 HydrophobicContact CB-CE2 4.14Å; L450-Y513 HydrophobicContact CB-CG 4.07Å; L450-Y513 HydrophobicContact CD2-CD1 3.7Å; L450-Y513 HydrophobicContact CD2-CD2 4.15Å; L450-Y513 HydrophobicContact CD2-CE1 4.4Å; L450-Y513 HydrophobicContact CD2-CG 3.55Å; L450-Y513 HydrophobicContact CG-CD1 4.35Å; L450-Y513 HydrophobicContact CG-CG 4.47Å; F482-Y513 HydrophobicContact CD1-CD2 4.12Å; F482-Y513 AromaticContact CD1-CE2 3.7Å; F482-Y513 HydrophobicContact CD1-CE2 3.7Å; F482-Y513 AromaticContact CE1-CD2 3.79Å; F482-Y513 HydrophobicContact CE1-CD2 3.79Å; F482-Y513 AromaticContact CE1-CE2 3.51Å; F482-Y513 HydrophobicContact CE1-CE2 3.51Å; I509-Y513 WeakPolarHBondContact O-CB 3.14Å; I509-Y513 PolarHBondContact O-N 3.11Å; I511-Y513 VanDerWaalsContact C-N 3.31Å; I511-Y513 PolarHBondContact O-N 3.38Å; Y513-P515 HydrophobicContact CD1-CB 3.92Å; Y513-P515 HydrophobicContact CD1-CG 4.36Å; Y513-P515 HydrophobicContact CE1-CB 4.04Å |
| 514 | E | 94.8 | Very high | 92.6 | Very high | 126 Ų | 126 | 41.8 Ų | 41.8 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | trans | 45.9 | 59.6 | 179.9 | -61.4 | -172.1 | 136.5 | 0 | 0 | 113.9 | R425 A510 I511 E512 | R425-E514 VanDerWaalsContact CZ-O 3.25Å; R425-E514 PolarHBondContact NE-O 3.23Å; R425-E514 PolarHBondContact NH2-O 3.01Å; R425-E514 IonicContact NH2-OE2 2.68Å; A510-E514 PolarHBondContact O-N 3.49Å; I511-E514 VanDerWaalsContact O-CG 3.31Å; I511-E514 WeakPolarHBondContact O-CG 3.43Å; I511-E514 PolarHBondContact O-N 2.89Å; E512-E514 VanDerWaalsContact C-N 3.3Å; E512-E514 PolarHBondContact O-N 2.82Å | ||
| 515 | P | 96.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | trans | -69.2 | 149.5 | -177.5 | 32.2 | -37.2 | 0 | 0 | 0 | 111.8 | L427 A510 Y513 V518 I552 A553 | L427-P515 HydrophobicContact CB-CB 3.62Å; L427-P515 HydrophobicContact CB-CG 3.69Å; L427-P515 HydrophobicContact CD2-CG 4.11Å; A510-P515 WeakPolarHBondContact O-CD 3.45Å; Y513-P515 HydrophobicContact CD1-CB 3.92Å; Y513-P515 HydrophobicContact CD1-CG 4.36Å; Y513-P515 HydrophobicContact CE1-CB 4.04Å; P515-V518 HydrophobicContact CG-CG2 4.21Å; P515-I552 HydrophobicContact CG-CG2 3.42Å; P515-I552 VanDerWaalsContact CG-CG2 3.42Å; P515-A553 WeakPolarHBondContact O-CB 3.43Å | ||
| 516 | E | 86.6 | Confident | 92.1 | Very high | 47 Ų | 47 | 32.7 Ų | 32.7 | 22% | 0.22 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -92.5 | -16 | 175.7 | -63.6 | 171.9 | 101.5 | 0 | 0 | 112.2 | I423 R424 R425 R556 | I423-E516 HydrophobicContact CG2-CB 4.22Å; R424-E516 WeakPolarHBondContact CA-OE2 3.47Å; R424-E516 WeakPolarHBondContact CB-OE2 3.45Å; R424-E516 PolarHBondContact N-OE2 3.03Å; R425-E516 PolarHBondContact N-OE2 3.32Å; R425-E516 PolarHBondContact O-N 3.45Å; E516-R556 PolarHBondContact O-NE 2.79Å; E516-R556 PolarHBondContact O-NH1 3.27Å; E516-R556 PolarHBondContact O-NH2 2.6Å |
| 517 | L | 86.5 | Confident | 91.7 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 134.7 | 177 | 179.3 | 62.6 | 0 | 0 | 0 | 110.2 | A417 I423 R425 I426 L427 F519 R556 L558 | A417-L517 HydrophobicContact CB-CD2 4.04Å; I423-L517 HydrophobicContact CD1-CB 4.05Å; I423-L517 HydrophobicContact CD1-CD2 3.74Å; I423-L517 HydrophobicContact CD1-CG 4.45Å; I423-L517 HydrophobicContact CG2-CB 4.13Å; R425-L517 PolarHBondContact O-N 2.89Å; I426-L517 WeakPolarHBondContact CA-O 3.46Å; I426-L517 HydrophobicContact CG1-CB 4.48Å; L427-L517 PolarHBondContact N-O 2.85Å; L517-F519 HydrophobicContact CD2-CD2 4.48Å; L517-F519 HydrophobicContact CD2-CE2 3.48Å; L517-F519 VanDerWaalsContact CD2-CE2 3.48Å; L517-F519 HydrophobicContact CD2-CZ 3.65Å; L517-F519 HydrophobicContact CG-CD2 4.41Å; L517-F519 HydrophobicContact CG-CE2 3.85Å; L517-F519 HydrophobicContact CG-CZ 4.29Å; L517-R556 WeakPolarHBondContact CA-O 3.42Å; L517-R556 HydrophobicContact CD1-CB 4.23Å; L517-R556 WeakPolarHBondContact CD1-O 3.26Å; L517-L558 HydrophobicContact CD1-CD1 4.08Å; L517-L558 HydrophobicContact CD1-CG 4.4Å; L517-L558 HydrophobicContact CD2-CD1 4.4Å |
| 518 | V | 87.3 | Confident | 91.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.3 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | L427 P515 I520 I552 A553 R556 L557 L558 | L427-V518 HydrophobicContact CB-CG2 4.28Å; L427-V518 HydrophobicContact CD2-CG1 4.33Å; L427-V518 HydrophobicContact CD2-CG2 4.19Å; L427-V518 HydrophobicContact CG-CG1 4.41Å; L427-V518 CarbonylContact O-C 3.52Å; L427-V518 VanDerWaalsContact O-CA 3.31Å; L427-V518 WeakPolarHBondContact O-CA 3.11Å; P515-V518 HydrophobicContact CG-CG2 4.21Å; V518-I520 HydrophobicContact CG1-CG1 4.44Å; V518-I552 HydrophobicContact CG2-CG2 4.41Å; V518-A553 HydrophobicContact CG2-CB 3.74Å; V518-R556 PolarHBondContact N-O 2.51Å; V518-L557 HydrophobicContact CB-CB 4.17Å; V518-L557 HydrophobicContact CB-CD1 3.92Å; V518-L557 HydrophobicContact CB-CG 3.93Å; V518-L557 HydrophobicContact CG1-CD1 3.71Å; V518-L557 HydrophobicContact CG1-CG 4Å; V518-L557 CarbonylContact O-C 3.59Å; V518-L557 VanDerWaalsContact O-C 3.3Å; V518-L557 WeakPolarHBondContact O-CA 3.33Å; V518-L558 PolarHBondContact O-N 3.33Å |
| 519 | F | 89.4 | Confident | 90.7 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.9 | 162.8 | -68 | -90.9 | 0 | 0 | 0 | 109.8 | V410 R413 A414 I426 L427 I428 V429 L517 L558 | V410-F519 HydrophobicContact CG1-CB 3.65Å; V410-F519 HydrophobicContact CG1-CD1 4.22Å; V410-F519 HydrophobicContact CG1-CG 3.96Å; R413-F519 HydrophobicContact CB-CE1 3.86Å; R413-F519 HydrophobicContact CB-CZ 4.12Å; R413-F519 HydrophobicContact CG-CE1 3.42Å; R413-F519 VanDerWaalsContact CG-CE1 3.42Å; R413-F519 HydrophobicContact CG-CZ 3.59Å; A414-F519 HydrophobicContact CB-CD2 4.24Å; A414-F519 HydrophobicContact CB-CE2 3.91Å; A414-F519 HydrophobicContact CB-CZ 4.48Å; I426-F519 HydrophobicContact CD1-CE2 4.36Å; I426-F519 HydrophobicContact CG2-CD2 3.47Å; I426-F519 VanDerWaalsContact CG2-CD2 3.47Å; I426-F519 HydrophobicContact CG2-CE2 3.65Å; L427-F519 PolarHBondContact O-N 3.14Å; I428-F519 CarbonylContact C-O 3.57Å; I428-F519 WeakPolarHBondContact CA-O 3.46Å; I428-F519 HydrophobicContact CG1-CB 4.2Å; I428-F519 HydrophobicContact CG1-CD2 4.45Å; V429-F519 PolarHBondContact N-O 3.04Å; L517-F519 HydrophobicContact CD2-CD2 4.48Å; L517-F519 HydrophobicContact CD2-CE2 3.48Å; L517-F519 VanDerWaalsContact CD2-CE2 3.48Å; L517-F519 HydrophobicContact CD2-CZ 3.65Å; L517-F519 HydrophobicContact CG-CD2 4.41Å; L517-F519 HydrophobicContact CG-CE2 3.85Å; L517-F519 HydrophobicContact CG-CZ 4.29Å; F519-L558 CarbonylContact C-O 3.55Å; F519-L558 WeakPolarHBondContact CA-O 3.37Å; F519-L558 HydrophobicContact CD1-CB 3.64Å; F519-L558 HydrophobicContact CD1-CD1 3.99Å; F519-L558 HydrophobicContact CD1-CG 4.46Å; F519-L558 HydrophobicContact CE1-CB 3.83Å; F519-L558 HydrophobicContact CE1-CD1 3.26Å; F519-L558 HydrophobicContact CE1-CG 4.16Å; F519-L558 HydrophobicContact CG-CB 4.42Å; F519-L558 HydrophobicContact CZ-CD1 3.62Å |
| 520 | I | 89.8 | Confident | 90 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.2 | 168.9 | -54.6 | -172.7 | 0 | 0 | 0 | 107.6 | V429 W431 V518 A522 T546 L549 L557 L558 I559 A560 | V429-I520 CarbonylContact O-C 3.57Å; V429-I520 VanDerWaalsContact O-CA 3.29Å; V429-I520 WeakPolarHBondContact O-CA 3.32Å; W431-I520 HydrophobicContact CD2-CG2 3.91Å; W431-I520 HydrophobicContact CE3-CG2 3.67Å; W431-I520 HydrophobicContact CH2-CB 4.44Å; W431-I520 HydrophobicContact CH2-CD1 3.59Å; W431-I520 HydrophobicContact CH2-CG1 4.46Å; W431-I520 HydrophobicContact CH2-CG2 3.32Å; W431-I520 HydrophobicContact CZ2-CG2 3.47Å; W431-I520 VanDerWaalsContact CZ2-CG2 3.47Å; W431-I520 HydrophobicContact CZ3-CD1 3.74Å; W431-I520 HydrophobicContact CZ3-CG1 4.36Å; W431-I520 HydrophobicContact CZ3-CG2 3.41Å; W431-I520 VanDerWaalsContact CZ3-CG2 3.41Å; V518-I520 HydrophobicContact CG1-CG1 4.44Å; I520-A522 HydrophobicContact CG2-CB 3.85Å; I520-A522 PolarHBondContact O-N 3.02Å; I520-T546 HydrophobicContact CD1-CG2 4.19Å; I520-L549 HydrophobicContact CD1-CD1 3.77Å; I520-L549 HydrophobicContact CG1-CD1 4.02Å; I520-L557 HydrophobicContact CD1-CD1 3.87Å; I520-L557 HydrophobicContact CD1-CD2 3.72Å; I520-L557 HydrophobicContact CD1-CG 4.2Å; I520-L557 HydrophobicContact CG1-CD1 4.14Å; I520-L557 HydrophobicContact CG1-CD2 3.98Å; I520-L557 HydrophobicContact CG1-CG 4.18Å; I520-L558 PolarHBondContact N-O 2.99Å; I520-I559 HydrophobicContact CB-CG1 4.27Å; I520-I559 HydrophobicContact CB-CG2 4.43Å; I520-I559 HydrophobicContact CD1-CD1 4.43Å; I520-I559 HydrophobicContact CD1-CG1 4.14Å; I520-I559 HydrophobicContact CG1-CG1 4.44Å; I520-A560 PolarHBondContact O-N 2.94Å |
| 521 | A | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 95.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | V410 V429 D430 W431 K439 G523 E562 | V410-A521 HydrophobicContact CG2-CB 4.3Å; V429-A521 PolarHBondContact O-N 3.27Å; D430-A521 HydrophobicContact CB-CB 3.88Å; W431-A521 PolarHBondContact N-O 2.98Å; K439-A521 HydrophobicContact CD-CB 4.16Å; A521-G523 PolarHBondContact O-N 3.32Å; A521-E562 HydrophobicContact CB-CG 3.87Å |
| 522 | A | 86.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 83.9 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W431 I520 F524 I559 A560 E562 | W431-A522 HydrophobicContact CZ2-CB 3.91Å; I520-A522 HydrophobicContact CG2-CB 3.85Å; I520-A522 PolarHBondContact O-N 3.02Å; A522-F524 HydrophobicContact CB-CE1 4.47Å; A522-F524 HydrophobicContact CB-CE2 4.14Å; A522-F524 HydrophobicContact CB-CZ 3.87Å; A522-F524 WeakPolarHBondContact O-CE2 3.27Å; A522-I559 HydrophobicContact CB-CG2 3.53Å; A522-A560 WeakPolarHBondContact CB-O 3.33Å; A522-A560 PolarHBondContact N-O 2.72Å; A522-E562 PolarHBondContact O-N 3.36Å |
| 523 | G | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -79.7 | 140.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | W431 D432 A521 G563 | W431-G523 PolarHBondContact NE1-O 2.74Å; D432-G523 VanDerWaalsContact OD2-CA 3.24Å; D432-G523 WeakPolarHBondContact OD2-CA 3.42Å; A521-G523 PolarHBondContact O-N 3.32Å; G523-G563 CarbonylContact C-O 3.41Å; G523-G563 WeakPolarHBondContact CA-O 3.5Å | ||
| 524 | F | 86.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | trans | -119.3 | 15.2 | -179.6 | -58.2 | -68.9 | 0 | 0 | 0 | 112.2 | A522 A526 A527 F542 L561 G563 L570 S573 K574 | A522-F524 HydrophobicContact CB-CE1 4.47Å; A522-F524 HydrophobicContact CB-CE2 4.14Å; A522-F524 HydrophobicContact CB-CZ 3.87Å; A522-F524 WeakPolarHBondContact O-CE2 3.27Å; F524-A526 VanDerWaalsContact C-N 3.27Å; F524-A527 WeakPolarHBondContact O-CB 3.43Å; F524-A527 PolarHBondContact O-N 2.71Å; F524-F542 HydrophobicContact CD1-CB 4.45Å; F524-F542 AromaticContact CD1-CD1 3.66Å; F524-F542 HydrophobicContact CD1-CD1 3.66Å; F524-F542 HydrophobicContact CD1-CD2 4.08Å; F524-F542 AromaticContact CD1-CE1 3.78Å; F524-F542 HydrophobicContact CD1-CE1 3.78Å; F524-F542 HydrophobicContact CD1-CE2 4.18Å; F524-F542 AromaticContact CD1-CG 3.8Å; F524-F542 HydrophobicContact CD1-CG 3.8Å; F524-F542 HydrophobicContact CD1-CZ 4.03Å; F524-F542 HydrophobicContact CE1-CB 3.96Å; F524-F542 AromaticContact CE1-CD1 3.78Å; F524-F542 HydrophobicContact CE1-CD1 3.78Å; F524-F542 HydrophobicContact CE1-CD2 4.41Å; F524-F542 HydrophobicContact CE1-CE1 4.35Å; F524-F542 AromaticContact CE1-CG 3.8Å; F524-F542 HydrophobicContact CE1-CG 3.8Å; F524-L561 HydrophobicContact CE2-CD2 3.73Å; F524-G563 PolarHBondContact N-O 3.06Å; F524-L570 HydrophobicContact CB-CD1 3.79Å; F524-L570 HydrophobicContact CD2-CD1 3.31Å; F524-L570 HydrophobicContact CE2-CD1 4.19Å; F524-L570 HydrophobicContact CG-CD1 3.89Å; F524-S573 VanDerWaalsContact CE1-CB 3.49Å; F524-K574 HydrophobicContact CE2-CB 4.33Å; F524-K574 HydrophobicContact CZ-CB 4.4Å | ||
| 525 | D | 88.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.8 | 174.8 | 45.1 | 13.2 | 0 | 0 | 0 | 113.9 | V433 H434 A527 C530 G533 Y565 | V433-D525 WeakPolarHBondContact CB-OD1 3.22Å; V433-D525 HydrophobicContact CG1-CB 3.9Å; V433-D525 WeakPolarHBondContact CG1-OD1 3.42Å; V433-D525 PolarHBondContact N-OD1 2.8Å; H434-D525 IonicContact CE1-OD2 3.17Å; H434-D525 PolarHBondContact CE1-OD2 2.79Å; H434-D525 IonicContact ND1-OD2 2.74Å; H434-D525 PolarHBondContact ND1-OD2 2.83Å; D525-A527 PolarHBondContact O-N 3.08Å; D525-C530 WeakPolarHBondContact CA-SG 3.4Å; D525-C530 HydrophobicContact CB-CB 4.47Å; D525-C530 WeakPolarHBondContact CB-SG 3.02Å; D525-C530 WeakPolarHBondContact O-CB 3.46Å; D525-G533 VanDerWaalsContact O-CA 3.26Å; D525-G533 WeakPolarHBondContact O-CA 3.46Å; D525-Y565 HydrophobicContact CB-CD2 4.18Å; D525-Y565 HydrophobicContact CB-CE2 4.36Å |
| 526 | A | 93.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V433 F524 M535 L537 | V433-A526 HydrophobicContact CB-CB 4.14Å; V433-A526 HydrophobicContact CG2-CB 4.22Å; F524-A526 VanDerWaalsContact C-N 3.27Å; A526-M535 HydrophobicContact CB-CB 4.05Å; A526-M535 HydrophobicContact CB-CG 4.28Å; A526-M535 CarbonylContact O-C 3.57Å; A526-M535 WeakPolarHBondContact O-CB 2.92Å; A526-L537 HydrophobicContact CB-CD1 4.32Å; A526-L537 HydrophobicContact CB-CD2 4.18Å; A526-L537 PolarHBondContact O-N 3.36Å; A526-L537 VanDerWaalsContact O-N 3.15Å |
| 527 | A | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -71.7 | 150.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F524 D525 G529 C530 L537 F542 | F524-A527 WeakPolarHBondContact O-CB 3.43Å; F524-A527 PolarHBondContact O-N 2.71Å; D525-A527 PolarHBondContact O-N 3.08Å; A527-G529 PolarHBondContact O-N 2.92Å; A527-C530 WeakPolarHBondContact O-CB 3.33Å; A527-C530 PolarHBondContact O-N 2.9Å; A527-C530 VanDerWaalsContact O-N 3.16Å; A527-L537 WeakPolarHBondContact CA-O 3.25Å; A527-F542 HydrophobicContact CB-CE2 3.83Å; A527-F542 HydrophobicContact CB-CZ 4.12Å |
| 528 | V | 86.6 | Confident | 88.2 | Confident | 67 Ų | 67 | 26 Ų | 26 | 41% | 0.406 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 137.1 | 178.1 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | C530 L537 S569 | V528-C530 VanDerWaalsContact C-N 3.3Å; V528-C530 PolarHBondContact O-N 3.37Å; V528-L537 PolarHBondContact N-O 2.86Å; V528-S569 VanDerWaalsContact O-CB 3.28Å; V528-S569 WeakPolarHBondContact O-CB 3.5Å; V528-S569 PolarHBondContact O-OG 3.11Å |
| 529 | G | 83.5 | Confident | 87.9 | Confident | 61 Ų | 61 | 26.5 Ų | 26.5 | 63% | 0.629 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A527 S531 C566 | A527-G529 PolarHBondContact O-N 2.92Å; G529-S531 PolarHBondContact O-N 2.98Å; G529-C566 WeakPolarHBondContact O-CB 3.46Å |
| 530 | C | 81.9 | Confident | 87.2 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | trans | -73 | 122.4 | 171.9 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | D525 A527 V528 L532 C566 | D525-C530 WeakPolarHBondContact CA-SG 3.4Å; D525-C530 HydrophobicContact CB-CB 4.47Å; D525-C530 WeakPolarHBondContact CB-SG 3.02Å; D525-C530 WeakPolarHBondContact O-CB 3.46Å; A527-C530 WeakPolarHBondContact O-CB 3.33Å; A527-C530 PolarHBondContact O-N 2.9Å; A527-C530 VanDerWaalsContact O-N 3.16Å; V528-C530 VanDerWaalsContact C-N 3.3Å; V528-C530 PolarHBondContact O-N 3.37Å; C530-L532 PolarHBondContact O-N 2.82Å; C530-C566 HydrophobicContact CB-CB 4.1Å | ||
| 531 | S | 78.7 | Confident | 87 | Confident | 105 Ų | 105 | 30 Ų | 30 | 73% | 0.734 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.1 | -176.6 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | G529 | G529-S531 PolarHBondContact O-N 2.98Š|
| 532 | L | 83.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 30 Ų | 30 | 40% | 0.398 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -26.5 | -174.5 | -61.1 | -174.5 | 0 | 0 | 0 | 114 | F462 C530 Y565 | F462-L532 WeakPolarHBondContact CZ-O 3.49Å; C530-L532 PolarHBondContact O-N 2.82Å; L532-Y565 HydrophobicContact CB-CD2 4.32Å; L532-Y565 HydrophobicContact CD1-CD1 4.46Å; L532-Y565 HydrophobicContact CD1-CD2 3.62Å; L532-Y565 HydrophobicContact CD1-CE2 3.74Å; L532-Y565 HydrophobicContact CD1-CG 4Å; L532-Y565 HydrophobicContact CG-CD2 4.24Å |
| 533 | G | 87.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -36.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R456 D525 M535 | R456-G533 VanDerWaalsContact CD-O 3.25Å; R456-G533 WeakPolarHBondContact CD-O 3.31Å; R456-G533 PolarHBondContact NH1-O 2.84Å; D525-G533 VanDerWaalsContact O-CA 3.26Å; D525-G533 WeakPolarHBondContact O-CA 3.46Å; G533-M535 VanDerWaalsContact C-N 3.3Å; G533-M535 PolarHBondContact O-N 3.29Å |
| 534 | G | 90.8 | Very high | 86 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | trans | 63.3 | 34 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T491 E492 | T491-G534 WeakPolarHBondContact CB-O 3.45Å; E492-G534 PolarHBondContact N-O 2.85Å | ||
| 535 | M | 95.7 | Very high | 86.1 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | trans | -119.9 | 171.7 | 172.5 | -61.3 | -63.1 | 179.4 | 0 | 0 | 109.4 | V433 R456 L488 Q490 L493 A526 G533 L537 | V433-M535 HydrophobicContact CG2-CG 3.93Å; R456-M535 HydrophobicContact CB-CE 3.66Å; R456-M535 HydrophobicContact CG-CE 3.86Å; L488-M535 HydrophobicContact CB-CE 4.23Å; L488-M535 HydrophobicContact CD1-CE 4.12Å; Q490-M535 WeakPolarHBondContact O-CE 3.38Å; L493-M535 HydrophobicContact CB-SD 3.83Å; L493-M535 HydrophobicContact CD1-CE 4.45Å; L493-M535 HydrophobicContact CD1-SD 4.36Å; L493-M535 HydrophobicContact CG-SD 4.18Å; A526-M535 HydrophobicContact CB-CB 4.05Å; A526-M535 HydrophobicContact CB-CG 4.28Å; A526-M535 CarbonylContact O-C 3.57Å; A526-M535 WeakPolarHBondContact O-CB 2.92Å; G533-M535 VanDerWaalsContact C-N 3.3Å; G533-M535 PolarHBondContact O-N 3.29Å; M535-L537 HydrophobicContact CB-CD1 4.12Å | ||
| 536 | R | 94.4 | Very high | 85.9 | Confident | 122 Ų | 122 | 35.1 Ų | 35.1 | 46% | 0.46 | 21% | 0.207 | S | C | . | . | trans | -129.4 | 43.6 | -174.3 | -66.1 | -167.8 | -65 | -145 | 8.7 | 113.1 | E492 L493 T494 N538 | E492-R536 PolarHBondContact O-NE 2.97Å; E492-R536 VanDerWaalsContact O-NE 3.15Å; E492-R536 PolarHBondContact O-NH2 2.87Å; E492-R536 VanDerWaalsContact O-NH2 3.09Å; E492-R536 WeakPolarHBondContact OE2-CD 3.45Å; E492-R536 WeakPolarHBondContact OE2-CG 3.07Å; E492-R536 IonicContact OE2-CZ 3.53Å; E492-R536 VanDerWaalsContact OE2-CZ 3.31Å; E492-R536 IonicContact OE2-NE 3.11Å; E492-R536 PolarHBondContact OE2-NE 2.85Å; E492-R536 IonicContact OE2-NH1 3.31Å; E492-R536 PolarHBondContact OE2-NH1 3.17Å; L493-R536 PolarHBondContact O-N 2.88Å; T494-R536 HydrophobicContact CG2-CB 4.42Å; R536-N538 PolarHBondContact O-N 2.95Å | ||
| 537 | L | 94.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 129.6 | 176.2 | -83.2 | 62.8 | 0 | 0 | 0 | 109.8 | D495 Y498 A526 A527 V528 M535 V541 F542 | D495-L537 WeakPolarHBondContact OD1-CA 3.41Å; Y498-L537 HydrophobicContact CD1-CD2 3.66Å; Y498-L537 HydrophobicContact CD2-CD1 3.63Å; Y498-L537 HydrophobicContact CD2-CD2 4.02Å; Y498-L537 HydrophobicContact CD2-CG 4.17Å; Y498-L537 HydrophobicContact CE1-CD2 3.79Å; Y498-L537 HydrophobicContact CE2-CD1 3.54Å; Y498-L537 HydrophobicContact CE2-CD2 4.17Å; Y498-L537 HydrophobicContact CE2-CG 4.39Å; Y498-L537 HydrophobicContact CG-CD1 4.22Å; Y498-L537 HydrophobicContact CG-CD2 3.75Å; Y498-L537 HydrophobicContact CG-CG 4.27Å; A526-L537 HydrophobicContact CB-CD1 4.32Å; A526-L537 HydrophobicContact CB-CD2 4.18Å; A526-L537 PolarHBondContact O-N 3.36Å; A526-L537 VanDerWaalsContact O-N 3.15Å; A527-L537 WeakPolarHBondContact CA-O 3.25Å; V528-L537 PolarHBondContact N-O 2.86Å; M535-L537 HydrophobicContact CB-CD1 4.12Å; L537-V541 HydrophobicContact CB-CG1 3.89Å; L537-V541 HydrophobicContact CD2-CG1 3.81Å; L537-V541 HydrophobicContact CG-CG1 3.91Å; L537-F542 HydrophobicContact CB-CE2 4.05Å; L537-F542 HydrophobicContact CB-CZ 4.07Å; L537-F542 HydrophobicContact CD2-CE1 4.03Å; L537-F542 HydrophobicContact CD2-CE2 4.36Å; L537-F542 HydrophobicContact CD2-CZ 3.76Å |
| 538 | N | 86.2 | Confident | 85 | Confident | 70 Ų | 70 | 40.4 Ų | 40.4 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | trans | -66.9 | 131.8 | 166.5 | -169.6 | -61.7 | 0 | 0 | 0 | 108 | D495 R536 N540 V541 | D495-N538 PolarHBondContact OD1-N 3.04Å; D495-N538 WeakPolarHBondContact OD2-CB 3.16Å; R536-N538 PolarHBondContact O-N 2.95Å; N538-N540 PolarHBondContact O-N 2.72Å; N538-N540 WeakPolarHBondContact OD1-CB 3.36Å; N538-N540 PolarHBondContact OD1-N 2.82Å; N538-N540 PolarHBondContact OD1-ND2 2.96Å; N538-V541 WeakPolarHBondContact O-CB 3.34Å; N538-V541 WeakPolarHBondContact O-CG1 3.43Å; N538-V541 PolarHBondContact O-N 2.79Å | ||
| 539 | P | 80.2 | Confident | 85 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 7% | 0.071 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -24.2 | 177.8 | -32.2 | 38.6 | 0 | 0 | 0 | 116.2 | V541 W572 S573 N576 | P539-V541 VanDerWaalsContact C-N 3.27Å; P539-V541 PolarHBondContact O-N 3.4Å; P539-W572 HydrophobicContact CB-CB 3.16Å; P539-W572 HydrophobicContact CB-CG 4.27Å; P539-W572 HydrophobicContact CG-CB 3.85Å; P539-S573 VanDerWaalsContact CA-OG 3.31Å; P539-S573 WeakPolarHBondContact CA-OG 3.29Å; P539-S573 WeakPolarHBondContact CB-OG 2.83Å; P539-S573 WeakPolarHBondContact O-CA 3.44Å; P539-N576 PolarHBondContact O-ND2 3.43Å |
| 540 | N | 75.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 35.5 Ų | 35.5 | 40% | 0.401 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -27.8 | 175.5 | -65.1 | -27.6 | 0 | 0 | 0 | 113.1 | N538 F542 G543 H544 N576 | N538-N540 PolarHBondContact O-N 2.72Å; N538-N540 WeakPolarHBondContact OD1-CB 3.36Å; N538-N540 PolarHBondContact OD1-N 2.82Å; N538-N540 PolarHBondContact OD1-ND2 2.96Å; N540-F542 VanDerWaalsContact C-N 3.28Å; N540-F542 PolarHBondContact O-N 2.79Å; N540-G543 PolarHBondContact O-N 2.95Å; N540-H544 PolarHBondContact O-CD2 2.89Å; N540-N576 WeakPolarHBondContact CA-ND2 3.4Å; N540-N576 PolarHBondContact OD1-ND2 2.95Å |
| 541 | V | 85.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -36.2 | -176.7 | 82.9 | 0 | 0 | 0 | 0 | 111.8 | D495 L499 L537 N538 P539 G543 H544 L545 | D495-V541 HydrophobicContact CB-CB 4.21Å; D495-V541 HydrophobicContact CB-CG2 3.82Å; L499-V541 HydrophobicContact CD1-CG2 4.32Å; L499-V541 HydrophobicContact CD2-CG2 4.14Å; L499-V541 HydrophobicContact CG-CG2 3.98Å; L537-V541 HydrophobicContact CB-CG1 3.89Å; L537-V541 HydrophobicContact CD2-CG1 3.81Å; L537-V541 HydrophobicContact CG-CG1 3.91Å; N538-V541 WeakPolarHBondContact O-CB 3.34Å; N538-V541 WeakPolarHBondContact O-CG1 3.43Å; N538-V541 PolarHBondContact O-N 2.79Å; P539-V541 VanDerWaalsContact C-N 3.27Å; P539-V541 PolarHBondContact O-N 3.4Å; V541-G543 PolarHBondContact O-N 2.75Å; V541-H544 CarbonylContact O-C 3.58Å; V541-H544 WeakPolarHBondContact O-CA 3.31Å; V541-H544 VanDerWaalsContact O-CB 3.3Å; V541-H544 WeakPolarHBondContact O-CB 3.2Å; V541-H544 PolarHBondContact O-N 2.79Å; V541-L545 HydrophobicContact CG2-CD2 4.34Å; V541-L545 HydrophobicContact CG2-CG 4.4Å; V541-L545 WeakPolarHBondContact O-CG 3.32Å; V541-L545 PolarHBondContact O-N 3.37Å |
| 542 | F | 84.6 | Confident | 85 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.2 | -30.4 | -179.6 | -61.7 | -84 | 0 | 0 | 0 | 113.2 | W431 F524 A527 L537 N540 L545 T546 S573 S577 | W431-F542 AromaticContact CD1-CE1 3.99Å; W431-F542 AromaticContact CE2-CD1 3.97Å; W431-F542 HydrophobicContact CZ2-CD1 4.25Å; W431-F542 AromaticContact NE1-CD1 3.6Å; W431-F542 AromaticContact NE1-CE1 3.83Å; F524-F542 HydrophobicContact CD1-CB 4.45Å; F524-F542 AromaticContact CD1-CD1 3.66Å; F524-F542 HydrophobicContact CD1-CD1 3.66Å; F524-F542 HydrophobicContact CD1-CD2 4.08Å; F524-F542 AromaticContact CD1-CE1 3.78Å; F524-F542 HydrophobicContact CD1-CE1 3.78Å; F524-F542 HydrophobicContact CD1-CE2 4.18Å; F524-F542 AromaticContact CD1-CG 3.8Å; F524-F542 HydrophobicContact CD1-CG 3.8Å; F524-F542 HydrophobicContact CD1-CZ 4.03Å; F524-F542 HydrophobicContact CE1-CB 3.96Å; F524-F542 AromaticContact CE1-CD1 3.78Å; F524-F542 HydrophobicContact CE1-CD1 3.78Å; F524-F542 HydrophobicContact CE1-CD2 4.41Å; F524-F542 HydrophobicContact CE1-CE1 4.35Å; F524-F542 AromaticContact CE1-CG 3.8Å; F524-F542 HydrophobicContact CE1-CG 3.8Å; A527-F542 HydrophobicContact CB-CE2 3.83Å; A527-F542 HydrophobicContact CB-CZ 4.12Å; L537-F542 HydrophobicContact CB-CE2 4.05Å; L537-F542 HydrophobicContact CB-CZ 4.07Å; L537-F542 HydrophobicContact CD2-CE1 4.03Å; L537-F542 HydrophobicContact CD2-CE2 4.36Å; L537-F542 HydrophobicContact CD2-CZ 3.76Å; N540-F542 VanDerWaalsContact C-N 3.28Å; N540-F542 PolarHBondContact O-N 2.79Å; F542-L545 HydrophobicContact CD1-CD1 4.47Å; F542-T546 WeakPolarHBondContact O-CB 3.33Å; F542-T546 PolarHBondContact O-N 3.35Å; F542-T546 PolarHBondContact O-OG1 3.04Å; F542-S573 VanDerWaalsContact CD2-OG 3.23Å; F542-S573 WeakPolarHBondContact CD2-OG 3.05Å; F542-S573 VanDerWaalsContact CE2-OG 3.24Å; F542-S573 WeakPolarHBondContact CE2-OG 3.49Å; F542-S577 WeakPolarHBondContact CB-OG 3Å |
| 543 | G | 74.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N540 V541 T546 N547 N576 S580 | N540-G543 PolarHBondContact O-N 2.95Å; V541-G543 PolarHBondContact O-N 2.75Å; G543-T546 PolarHBondContact O-N 2.83Å; G543-N547 VanDerWaalsContact O-CB 3.3Å; G543-N547 WeakPolarHBondContact O-CB 3.24Å; G543-N547 VanDerWaalsContact O-CG 3.3Å; G543-N547 PolarHBondContact O-N 3.13Å; G543-N547 PolarHBondContact O-ND2 2.75Å; G543-N576 WeakPolarHBondContact CA-O 3.32Å; G543-S580 PolarHBondContact O-OG 2.93Å |
| 544 | H | 82.3 | Confident | 84.1 | Confident | 108 Ų | 108 | 36.9 Ų | 36.9 | 50% | 0.5 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 172.9 | -66.6 | -71.3 | 0 | 0 | 0 | 111.8 | L499 N540 V541 T546 N547 M548 | L499-H544 HydrophobicContact CD2-CB 4.26Å; N540-H544 PolarHBondContact O-CD2 2.89Å; V541-H544 CarbonylContact O-C 3.58Å; V541-H544 WeakPolarHBondContact O-CA 3.31Å; V541-H544 VanDerWaalsContact O-CB 3.3Å; V541-H544 WeakPolarHBondContact O-CB 3.2Å; V541-H544 PolarHBondContact O-N 2.79Å; H544-T546 VanDerWaalsContact C-N 3.34Å; H544-T546 PolarHBondContact O-N 3.32Å; H544-N547 PolarHBondContact O-N 3.01Å; H544-M548 VanDerWaalsContact O-CG 3.28Å; H544-M548 WeakPolarHBondContact O-CG 3.18Å; H544-M548 PolarHBondContact O-N 3.42Å |
| 545 | L | 90.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.7 | -57.5 | -172.1 | 0 | 0 | 0 | 111.5 | W431 Y498 L499 F502 V541 F542 M548 L549 | W431-L545 HydrophobicContact CE3-CB 4.49Å; W431-L545 HydrophobicContact CH2-CB 4.19Å; W431-L545 HydrophobicContact CZ3-CB 3.95Å; Y498-L545 HydrophobicContact CD1-CD1 4.31Å; L499-L545 HydrophobicContact CD2-CD2 4.18Å; F502-L545 HydrophobicContact CB-CD2 4.33Å; F502-L545 HydrophobicContact CD1-CB 4.37Å; F502-L545 HydrophobicContact CD1-CD2 4.08Å; F502-L545 HydrophobicContact CD2-CD1 4.36Å; F502-L545 HydrophobicContact CD2-CD2 3.59Å; F502-L545 HydrophobicContact CD2-CG 4.4Å; F502-L545 HydrophobicContact CE1-CB 3.84Å; F502-L545 HydrophobicContact CE1-CD2 4.27Å; F502-L545 HydrophobicContact CE1-CG 4.49Å; F502-L545 HydrophobicContact CE2-CB 4.23Å; F502-L545 HydrophobicContact CE2-CD1 3.77Å; F502-L545 HydrophobicContact CE2-CD2 3.8Å; F502-L545 HydrophobicContact CE2-CG 4.11Å; F502-L545 HydrophobicContact CG-CD2 3.73Å; F502-L545 HydrophobicContact CZ-CB 3.76Å; F502-L545 HydrophobicContact CZ-CD1 4.05Å; F502-L545 HydrophobicContact CZ-CD2 4.14Å; F502-L545 HydrophobicContact CZ-CG 4.17Å; V541-L545 HydrophobicContact CG2-CD2 4.34Å; V541-L545 HydrophobicContact CG2-CG 4.4Å; V541-L545 WeakPolarHBondContact O-CG 3.32Å; V541-L545 PolarHBondContact O-N 3.37Å; F542-L545 HydrophobicContact CD1-CD1 4.47Å; L545-M548 PolarHBondContact O-N 3.24Å; L545-L549 PolarHBondContact O-N 3.44Å |
| 546 | T | 83.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | W431 I520 F542 G543 H544 M548 L549 M550 I559 S577 K581 | W431-T546 WeakPolarHBondContact CH2-OG1 3.17Å; I520-T546 HydrophobicContact CD1-CG2 4.19Å; F542-T546 WeakPolarHBondContact O-CB 3.33Å; F542-T546 PolarHBondContact O-N 3.35Å; F542-T546 PolarHBondContact O-OG1 3.04Å; G543-T546 PolarHBondContact O-N 2.83Å; H544-T546 VanDerWaalsContact C-N 3.34Å; H544-T546 PolarHBondContact O-N 3.32Å; T546-M548 VanDerWaalsContact C-N 3.26Å; T546-M548 PolarHBondContact O-N 3.43Å; T546-L549 PolarHBondContact O-N 2.93Å; T546-M550 HydrophobicContact CG2-CG 4.46Å; T546-M550 WeakPolarHBondContact O-CG 3.33Å; T546-M550 PolarHBondContact O-N 3.03Å; T546-I559 HydrophobicContact CG2-CD1 3.8Å; T546-S577 WeakPolarHBondContact OG1-CB 3.4Å; T546-S577 PolarHBondContact OG1-OG 3.3Å; T546-K581 HydrophobicContact CG2-CB 4.46Å |
| 547 | N | 77.7 | Confident | 80.6 | Confident | 67 Ų | 67 | 40.9 Ų | 40.9 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.9 | -39.7 | -179.8 | -84.9 | -49.1 | 0 | 0 | 0 | 112.4 | G543 H544 L549 M550 P551 S580 | G543-N547 VanDerWaalsContact O-CB 3.3Å; G543-N547 WeakPolarHBondContact O-CB 3.24Å; G543-N547 VanDerWaalsContact O-CG 3.3Å; G543-N547 PolarHBondContact O-N 3.13Å; G543-N547 PolarHBondContact O-ND2 2.75Å; H544-N547 PolarHBondContact O-N 3.01Å; N547-L549 PolarHBondContact O-N 2.86Å; N547-M550 HydrophobicContact CB-CE 4.36Å; N547-M550 PolarHBondContact O-N 2.95Å; N547-M550 WeakPolarHBondContact OD1-CE 3.32Å; N547-P551 VanDerWaalsContact O-CD 3.23Å; N547-P551 WeakPolarHBondContact O-CD 3.29Å; N547-S580 VanDerWaalsContact CG-OG 3.28Å; N547-S580 PolarHBondContact ND2-OG 3.12Å; N547-S580 WeakPolarHBondContact OD1-CB 3.46Å; N547-S580 PolarHBondContact OD1-OG 2.9Å |
| 548 | M | 87.2 | Confident | 79.6 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 22% | 0.217 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -30.8 | 177.7 | -74.9 | 179.6 | -175.1 | 0 | 0 | 112.7 | L499 F502 Q503 L507 H544 L545 T546 | L499-M548 HydrophobicContact CD2-CE 3.52Å; L499-M548 HydrophobicContact CD2-SD 4.43Å; F502-M548 HydrophobicContact CB-SD 3.96Å; F502-M548 HydrophobicContact CD1-CB 4.44Å; F502-M548 HydrophobicContact CD1-SD 4.33Å; Q503-M548 HydrophobicContact CG-CE 4.25Å; Q503-M548 HydrophobicContact CG-SD 4.43Å; L507-M548 HydrophobicContact CD1-CB 4.05Å; L507-M548 HydrophobicContact CD1-CG 4.22Å; L507-M548 HydrophobicContact CD1-SD 4.16Å; L507-M548 HydrophobicContact CD2-CB 4.05Å; L507-M548 VanDerWaalsContact CD2-O 3.27Å; L507-M548 WeakPolarHBondContact CD2-O 3.06Å; H544-M548 VanDerWaalsContact O-CG 3.28Å; H544-M548 WeakPolarHBondContact O-CG 3.18Å; H544-M548 PolarHBondContact O-N 3.42Å; L545-M548 PolarHBondContact O-N 3.24Å; T546-M548 VanDerWaalsContact C-N 3.26Å; T546-M548 PolarHBondContact O-N 3.43Å |
| 549 | L | 87 | Confident | 79 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -87.9 | -20.3 | -179.2 | -66.3 | 174.3 | 0 | 0 | 0 | 114.3 | V429 W431 F502 I506 L507 I520 L545 T546 N547 I552 L557 | V429-L549 HydrophobicContact CB-CD1 4Å; V429-L549 HydrophobicContact CG1-CD1 4.17Å; V429-L549 HydrophobicContact CG2-CD1 3.88Å; V429-L549 HydrophobicContact CG2-CD2 4.03Å; W431-L549 HydrophobicContact CZ3-CD1 4.08Å; F502-L549 HydrophobicContact CE1-CD1 3.95Å; F502-L549 HydrophobicContact CE1-CD2 4.32Å; F502-L549 HydrophobicContact CE1-CG 3.99Å; I506-L549 HydrophobicContact CG2-CD2 4.08Å; L507-L549 HydrophobicContact CD2-CD2 4.3Å; I520-L549 HydrophobicContact CD1-CD1 3.77Å; I520-L549 HydrophobicContact CG1-CD1 4.02Å; L545-L549 PolarHBondContact O-N 3.44Å; T546-L549 PolarHBondContact O-N 2.93Å; N547-L549 PolarHBondContact O-N 2.86Å; L549-I552 WeakPolarHBondContact O-CB 3.49Å; L549-I552 WeakPolarHBondContact O-CG1 3.28Å; L549-I552 PolarHBondContact O-N 3.3Å; L549-L557 HydrophobicContact CB-CD1 3.62Å |
| 550 | M | 79.2 | Confident | 78.8 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 12% | 0.118 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -61 | -42.4 | -175.4 | -49.5 | -169 | -55.7 | 0 | 0 | 114 | T546 N547 I552 N555 S580 K581 | T546-M550 HydrophobicContact CG2-CG 4.46Å; T546-M550 WeakPolarHBondContact O-CG 3.33Å; T546-M550 PolarHBondContact O-N 3.03Å; N547-M550 HydrophobicContact CB-CE 4.36Å; N547-M550 PolarHBondContact O-N 2.95Å; N547-M550 WeakPolarHBondContact OD1-CE 3.32Å; M550-I552 PolarHBondContact O-N 2.72Å; M550-N555 WeakPolarHBondContact CB-OD1 3.19Å; M550-N555 VanDerWaalsContact O-CA 3.29Å; M550-N555 WeakPolarHBondContact O-CA 3.43Å; M550-N555 PolarHBondContact O-N 3.34Å; M550-N555 PolarHBondContact O-OD1 3.3Å; M550-S580 VanDerWaalsContact CE-O 3.25Å; M550-S580 WeakPolarHBondContact CE-O 3.29Å; M550-S580 VanDerWaalsContact SD-C 3.51Å; M550-K581 HydrophobicContact SD-CB 3.82Å; M550-K581 HydrophobicContact SD-CG 4.11Å |
| 551 | P | 77.5 | Confident | 79 | Confident | 94 Ų | 94 | 36.2 Ų | 36.2 | 61% | 0.61 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -65.3 | -24.3 | 179.6 | -19.3 | 31.1 | 0 | 0 | 0 | 113.5 | N547 A553 S554 | N547-P551 VanDerWaalsContact O-CD 3.23Å; N547-P551 WeakPolarHBondContact O-CD 3.29Å; P551-A553 VanDerWaalsContact C-N 3.31Å; P551-A553 PolarHBondContact O-N 3.29Å; P551-S554 PolarHBondContact O-N 3.18Å |
| 552 | I | 85.9 | Confident | 78.9 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 16% | 0.159 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -59.9 | -38.3 | -170 | -60 | -63.2 | 0 | 0 | 0 | 112.3 | L427 L507 A510 I511 P515 V518 L549 M550 | L427-I552 HydrophobicContact CD2-CG2 4.34Å; L507-I552 HydrophobicContact CD2-CD1 4.09Å; L507-I552 HydrophobicContact CD2-CG1 4.37Å; A510-I552 HydrophobicContact CB-CD1 4.16Å; A510-I552 HydrophobicContact CB-CG1 4.34Å; A510-I552 HydrophobicContact CB-CG2 3.94Å; I511-I552 HydrophobicContact CD1-CD1 4.49Å; I511-I552 HydrophobicContact CG1-CD1 3.67Å; P515-I552 HydrophobicContact CG-CG2 3.42Å; P515-I552 VanDerWaalsContact CG-CG2 3.42Å; V518-I552 HydrophobicContact CG2-CG2 4.41Å; L549-I552 WeakPolarHBondContact O-CB 3.49Å; L549-I552 WeakPolarHBondContact O-CG1 3.28Å; L549-I552 PolarHBondContact O-N 3.3Å; M550-I552 PolarHBondContact O-N 2.72Å |
| 553 | A | 80 | Confident | 78.6 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -121.5 | 32.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P515 V518 P551 N555 R556 | P515-A553 WeakPolarHBondContact O-CB 3.43Å; V518-A553 HydrophobicContact CG2-CB 3.74Å; P551-A553 VanDerWaalsContact C-N 3.31Å; P551-A553 PolarHBondContact O-N 3.29Å; A553-N555 VanDerWaalsContact C-N 3.34Å; A553-N555 PolarHBondContact O-N 3.49Å; A553-R556 HydrophobicContact CB-CB 4.31Å; A553-R556 VanDerWaalsContact O-CB 3.23Å; A553-R556 WeakPolarHBondContact O-CB 3.37Å; A553-R556 WeakPolarHBondContact O-CG 3.19Å; A553-R556 PolarHBondContact O-N 2.79Å; A553-R556 PolarHBondContact O-NE 3.5Å; A553-R556 VanDerWaalsContact O-NE 3.17Å |
| 554 | S | 73.6 | Confident | 78.8 | Confident | 92 Ų | 92 | 36.2 Ų | 36.2 | 64% | 0.643 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 47.1 | -176.9 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | P551 R556 | P551-S554 PolarHBondContact O-N 3.18Å; S554-R556 PolarHBondContact O-N 3.29Å; S554-R556 VanDerWaalsContact O-N 3.13Å |
| 555 | N | 58.6 | Low | 78.5 | Confident | 106 Ų | 106 | 34.5 Ų | 34.5 | 57% | 0.567 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 5.8 | -176 | -54.3 | -44.8 | 0 | 0 | 0 | 115.6 | M550 A553 L557 | M550-N555 WeakPolarHBondContact CB-OD1 3.19Å; M550-N555 VanDerWaalsContact O-CA 3.29Å; M550-N555 WeakPolarHBondContact O-CA 3.43Å; M550-N555 PolarHBondContact O-N 3.34Å; M550-N555 PolarHBondContact O-OD1 3.3Å; A553-N555 VanDerWaalsContact C-N 3.34Å; A553-N555 PolarHBondContact O-N 3.49Å; N555-L557 PolarHBondContact O-N 3.37Å |
| 556 | R | 70.9 | Confident | 77.6 | Confident | 118 Ų | 118 | 35.4 Ų | 35.4 | 45% | 0.445 | 19% | 0.19 | S | C | . | . | trans | -75.6 | 78.2 | 170.3 | -62.8 | 178.5 | -72.6 | 173.2 | 0.7 | 109.5 | E516 L517 V518 A553 S554 | E516-R556 PolarHBondContact O-NE 2.79Å; E516-R556 PolarHBondContact O-NH1 3.27Å; E516-R556 PolarHBondContact O-NH2 2.6Å; L517-R556 WeakPolarHBondContact CA-O 3.42Å; L517-R556 HydrophobicContact CD1-CB 4.23Å; L517-R556 WeakPolarHBondContact CD1-O 3.26Å; V518-R556 PolarHBondContact N-O 2.51Å; A553-R556 HydrophobicContact CB-CB 4.31Å; A553-R556 VanDerWaalsContact O-CB 3.23Å; A553-R556 WeakPolarHBondContact O-CB 3.37Å; A553-R556 WeakPolarHBondContact O-CG 3.19Å; A553-R556 PolarHBondContact O-N 2.79Å; A553-R556 PolarHBondContact O-NE 3.5Å; A553-R556 VanDerWaalsContact O-NE 3.17Å; S554-R556 PolarHBondContact O-N 3.29Å; S554-R556 VanDerWaalsContact O-N 3.13Å | ||
| 557 | L | 77.2 | Confident | 76.8 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 155.7 | -178.4 | -175.3 | 144.7 | 0 | 0 | 0 | 109.2 | V518 I520 L549 N555 I559 K581 | V518-L557 HydrophobicContact CB-CB 4.17Å; V518-L557 HydrophobicContact CB-CD1 3.92Å; V518-L557 HydrophobicContact CB-CG 3.93Å; V518-L557 HydrophobicContact CG1-CD1 3.71Å; V518-L557 HydrophobicContact CG1-CG 4Å; V518-L557 CarbonylContact O-C 3.59Å; V518-L557 VanDerWaalsContact O-C 3.3Å; V518-L557 WeakPolarHBondContact O-CA 3.33Å; I520-L557 HydrophobicContact CD1-CD1 3.87Å; I520-L557 HydrophobicContact CD1-CD2 3.72Å; I520-L557 HydrophobicContact CD1-CG 4.2Å; I520-L557 HydrophobicContact CG1-CD1 4.14Å; I520-L557 HydrophobicContact CG1-CD2 3.98Å; I520-L557 HydrophobicContact CG1-CG 4.18Å; L549-L557 HydrophobicContact CB-CD1 3.62Å; N555-L557 PolarHBondContact O-N 3.37Å; L557-I559 HydrophobicContact CD2-CD1 4.14Å; L557-I559 HydrophobicContact CD2-CG1 3.58Å; L557-K581 HydrophobicContact CD2-CD 3.52Å; L557-K581 HydrophobicContact CD2-CG 4.2Å; L557-K581 WeakPolarHBondContact O-CE 3.46Å; L557-K581 PolarHBondContact O-NZ 3.08Å |
| 558 | L | 72.9 | Confident | 76.1 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138 | 176.4 | -73.4 | 167.4 | 0 | 0 | 0 | 108.5 | L517 V518 F519 I520 K581 L585 | L517-L558 HydrophobicContact CD1-CD1 4.08Å; L517-L558 HydrophobicContact CD1-CG 4.4Å; L517-L558 HydrophobicContact CD2-CD1 4.4Å; V518-L558 PolarHBondContact O-N 3.33Å; F519-L558 CarbonylContact C-O 3.55Å; F519-L558 WeakPolarHBondContact CA-O 3.37Å; F519-L558 HydrophobicContact CD1-CB 3.64Å; F519-L558 HydrophobicContact CD1-CD1 3.99Å; F519-L558 HydrophobicContact CD1-CG 4.46Å; F519-L558 HydrophobicContact CE1-CB 3.83Å; F519-L558 HydrophobicContact CE1-CD1 3.26Å; F519-L558 HydrophobicContact CE1-CG 4.16Å; F519-L558 HydrophobicContact CG-CB 4.42Å; F519-L558 HydrophobicContact CZ-CD1 3.62Å; I520-L558 PolarHBondContact N-O 2.99Å; L558-K581 VanDerWaalsContact CA-NZ 3.26Å; L558-L585 HydrophobicContact CD2-CB 4.04Å |
| 559 | I | 73.3 | Confident | 75.1 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.046 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.5 | 179.8 | -54.1 | -178.1 | 0 | 0 | 0 | 107.5 | I520 A522 T546 L557 K581 | I520-I559 HydrophobicContact CB-CG1 4.27Å; I520-I559 HydrophobicContact CB-CG2 4.43Å; I520-I559 HydrophobicContact CD1-CD1 4.43Å; I520-I559 HydrophobicContact CD1-CG1 4.14Å; I520-I559 HydrophobicContact CG1-CG1 4.44Å; A522-I559 HydrophobicContact CB-CG2 3.53Å; T546-I559 HydrophobicContact CG2-CD1 3.8Å; L557-I559 HydrophobicContact CD2-CD1 4.14Å; L557-I559 HydrophobicContact CD2-CG1 3.58Å; I559-K581 HydrophobicContact CD1-CD 4.03Å; I559-K581 HydrophobicContact CG1-CD 4.17Å |
| 560 | A | 77.5 | Confident | 74.1 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | I389 V410 I520 A522 | I389-A560 HydrophobicContact CG2-CB 4.11Å; V410-A560 HydrophobicContact CG2-CB 3.54Å; I520-A560 PolarHBondContact O-N 2.94Å; A522-A560 WeakPolarHBondContact CB-O 3.33Å; A522-A560 PolarHBondContact N-O 2.72Å |
| 561 | L | 78.7 | Confident | 72.9 | Confident | 12 Ų | 12 | 44.2 Ų | 44.2 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 134.1 | -178.7 | -52.5 | 171.9 | 0 | 0 | 0 | 109.8 | I389 R390 F524 K574 Y578 | I389-L561 WeakPolarHBondContact O-CB 3.39Å; R390-L561 HydrophobicContact CG-CD1 4.27Å; F524-L561 HydrophobicContact CE2-CD2 3.73Å; L561-K574 HydrophobicContact CD1-CD 4.4Å; L561-K574 HydrophobicContact CD2-CD 4.2Å; L561-K574 HydrophobicContact CD2-CG 4.27Å; L561-Y578 HydrophobicContact CD2-CE2 4.27Å |
| 562 | E | 84.4 | Confident | 71.6 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | trans | -112.2 | -127.3 | 175.4 | -59.8 | -64.4 | 164.7 | 0 | 0 | 110.7 | R390 P392 G393 H394 D432 A521 A522 | R390-E562 PolarHBondContact NH1-O 3.18Å; P392-E562 VanDerWaalsContact CA-OE2 3.28Å; P392-E562 WeakPolarHBondContact CA-OE2 3.12Å; P392-E562 HydrophobicContact CB-CB 4.4Å; P392-E562 WeakPolarHBondContact CB-OE2 3.39Å; G393-E562 PolarHBondContact N-OE2 2.67Å; H394-E562 HydrophobicContact CB-CG 4.21Å; H394-E562 IonicContact CD2-OE2 2.83Å; H394-E562 PolarHBondContact CD2-OE2 2.98Å; H394-E562 IonicContact CG-OE2 2.73Å; H394-E562 PolarHBondContact N-OE2 2.92Å; D432-E562 HydrophobicContact CB-CB 4.17Å; D432-E562 VanDerWaalsContact OD2-CB 3.22Å; D432-E562 WeakPolarHBondContact OD2-CB 3.35Å; A521-E562 HydrophobicContact CB-CG 3.87Å; A522-E562 PolarHBondContact O-N 3.36Å | ||
| 563 | G | 78.8 | Confident | 70.1 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -67.8 | 171.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D432 G523 F524 | D432-G563 WeakPolarHBondContact OD2-CA 3.3Å; D432-G563 PolarHBondContact OD2-N 3.01Å; G523-G563 CarbonylContact C-O 3.41Å; G523-G563 WeakPolarHBondContact CA-O 3.5Å; F524-G563 PolarHBondContact N-O 3.06Å | ||
| 564 | G | 77.8 | Confident | 69 | Low | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | 134.4 | 105.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 565 | Y | 76.8 | Confident | 68 | Low | 71 Ų | 71 | 41.8 Ų | 41.8 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | trans | -126.1 | -9.7 | -167.4 | -53.3 | -87.4 | 0 | 0 | 0 | 113.1 | F404 D525 L532 I567 | F404-Y565 HydrophobicContact CD2-CE1 4.27Å; F404-Y565 AromaticContact CD2-CZ 3.98Å; F404-Y565 WeakPolarHBondContact CD2-OH 3.49Å; F404-Y565 HydrophobicContact CE2-CE1 4.02Å; F404-Y565 AromaticContact CE2-CZ 3.88Å; F404-Y565 WeakPolarHBondContact CE2-OH 3.29Å; D525-Y565 HydrophobicContact CB-CD2 4.18Å; D525-Y565 HydrophobicContact CB-CE2 4.36Å; L532-Y565 HydrophobicContact CB-CD2 4.32Å; L532-Y565 HydrophobicContact CD1-CD1 4.46Å; L532-Y565 HydrophobicContact CD1-CD2 3.62Å; L532-Y565 HydrophobicContact CD1-CE2 3.74Å; L532-Y565 HydrophobicContact CD1-CG 4Å; L532-Y565 HydrophobicContact CG-CD2 4.24Å; Y565-I567 PolarHBondContact O-N 2.9Å | ||
| 566 | C | 72 | Confident | 67.6 | Low | 20 Ų | 20 | 38.3 Ų | 38.3 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | trans | -82.7 | 106.6 | 162.3 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | G529 C530 E568 S569 L570 | G529-C566 WeakPolarHBondContact O-CB 3.46Å; C530-C566 HydrophobicContact CB-CB 4.1Å; C566-E568 PolarHBondContact O-N 3.49Å; C566-S569 PolarHBondContact O-N 3.48Å; C566-L570 WeakPolarHBondContact O-CB 2.97Å; C566-L570 PolarHBondContact O-N 3.21Å | ||
| 567 | I | 66.3 | Low | 66.5 | Low | 121 Ų | 121 | 32.7 Ų | 32.7 | 62% | 0.621 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -53.9 | -41.9 | -176.5 | -70.3 | 178.3 | 0 | 0 | 0 | 111.5 | T58 Y565 S571 | T58-I567 HydrophobicContact CG2-CG2 3.21Å; T58-I567 WeakPolarHBondContact CG2-O 2.97Å; T58-I567 PolarHBondContact OG1-O 3.37Å; Y565-I567 PolarHBondContact O-N 2.9Å; I567-S571 PolarHBondContact O-N 3.3Å; I567-S571 PolarHBondContact O-OG 2.82Å; I567-S571 VanDerWaalsContact O-OG 3.08Å |
| 568 | E | 61.9 | Low | 65.4 | Low | 144 Ų | 144 | 34.4 Ų | 34.4 | 67% | 0.673 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -67.7 | -51.5 | -179.1 | -68.6 | 154.6 | 169.6 | 0 | 0 | 111.8 | C566 L570 S571 | C566-E568 PolarHBondContact O-N 3.49Å; E568-L570 PolarHBondContact O-N 3.02Å; E568-S571 PolarHBondContact O-N 2.82Å; E568-S571 PolarHBondContact O-OG 2.9Å |
| 569 | S | 66.7 | Low | 64.2 | Low | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.9 | -32.9 | -179.5 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | V528 C566 S571 W572 S573 | V528-S569 VanDerWaalsContact O-CB 3.28Å; V528-S569 WeakPolarHBondContact O-CB 3.5Å; V528-S569 PolarHBondContact O-OG 3.11Å; C566-S569 PolarHBondContact O-N 3.48Å; S569-S571 VanDerWaalsContact C-N 3.33Å; S569-S571 PolarHBondContact O-N 3.44Å; S569-W572 PolarHBondContact O-N 2.76Å; S569-S573 VanDerWaalsContact O-CB 3.31Å; S569-S573 WeakPolarHBondContact O-CB 3.18Å; S569-S573 PolarHBondContact O-N 2.86Å; S569-S573 PolarHBondContact O-OG 3.18Å |
| 570 | L | 66.1 | Low | 62.6 | Low | 28 Ų | 28 | 43.4 Ų | 43.4 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 174.1 | 177.5 | 62.7 | 0 | 0 | 0 | 111.7 | F524 C566 E568 W572 S573 K574 | F524-L570 HydrophobicContact CB-CD1 3.79Å; F524-L570 HydrophobicContact CD2-CD1 3.31Å; F524-L570 HydrophobicContact CE2-CD1 4.19Å; F524-L570 HydrophobicContact CG-CD1 3.89Å; C566-L570 WeakPolarHBondContact O-CB 2.97Å; C566-L570 PolarHBondContact O-N 3.21Å; E568-L570 PolarHBondContact O-N 3.02Å; L570-W572 PolarHBondContact O-N 3.2Å; L570-S573 PolarHBondContact O-N 3.37Å; L570-K574 WeakPolarHBondContact O-CB 3.49Å; L570-K574 PolarHBondContact O-N 3Å |
| 571 | S | 53.5 | Low | 60.6 | Low | 14 Ų | 14 | 44.2 Ų | 44.2 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.3 | -57.1 | 178.4 | -0.5 | 0 | 0 | 0 | 0 | 111.9 | T58 I567 E568 S569 S573 K574 Q575 | T58-S571 WeakPolarHBondContact CB-OG 3.47Å; T58-S571 WeakPolarHBondContact OG1-CA 3.23Å; T58-S571 WeakPolarHBondContact OG1-CB 3.3Å; T58-S571 PolarHBondContact OG1-N 3.38Å; T58-S571 VanDerWaalsContact OG1-N 3.16Å; T58-S571 PolarHBondContact OG1-OG 3.16Å; I567-S571 PolarHBondContact O-N 3.3Å; I567-S571 PolarHBondContact O-OG 2.82Å; I567-S571 VanDerWaalsContact O-OG 3.08Å; E568-S571 PolarHBondContact O-N 2.82Å; E568-S571 PolarHBondContact O-OG 2.9Å; S569-S571 VanDerWaalsContact C-N 3.33Å; S569-S571 PolarHBondContact O-N 3.44Å; S571-S573 VanDerWaalsContact C-N 3.31Å; S571-S573 PolarHBondContact O-N 2.8Å; S571-K574 PolarHBondContact O-N 3.22Å; S571-Q575 WeakPolarHBondContact O-CB 3.31Å; S571-Q575 PolarHBondContact O-N 3.26Å |
| 572 | W | 50.7 | Low | 58.1 | Low | 103 Ų | 103 | 48.7 Ų | 48.7 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.3 | -39.5 | -170.5 | -72.9 | 111 | 0 | 0 | 0 | 109.8 | S61 P539 S569 L570 K574 Q575 N576 | S61-W572 VanDerWaalsContact CB-CH2 3.41Å; S61-W572 WeakPolarHBondContact OG-CH2 3.18Å; P539-W572 HydrophobicContact CB-CB 3.16Å; P539-W572 HydrophobicContact CB-CG 4.27Å; P539-W572 HydrophobicContact CG-CB 3.85Å; S569-W572 PolarHBondContact O-N 2.76Å; L570-W572 PolarHBondContact O-N 3.2Å; W572-K574 PolarHBondContact O-N 3.48Å; W572-Q575 PolarHBondContact O-N 2.92Å; W572-N576 WeakPolarHBondContact O-CB 3.47Å; W572-N576 PolarHBondContact O-N 2.98Å; W572-N576 PolarHBondContact O-ND2 2.88Å |
| 573 | S | 55.1 | Low | 55.3 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | -179.1 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | F524 P539 F542 S569 L570 S571 S577 | F524-S573 VanDerWaalsContact CE1-CB 3.49Å; P539-S573 VanDerWaalsContact CA-OG 3.31Å; P539-S573 WeakPolarHBondContact CA-OG 3.29Å; P539-S573 WeakPolarHBondContact CB-OG 2.83Å; P539-S573 WeakPolarHBondContact O-CA 3.44Å; F542-S573 VanDerWaalsContact CD2-OG 3.23Å; F542-S573 WeakPolarHBondContact CD2-OG 3.05Å; F542-S573 VanDerWaalsContact CE2-OG 3.24Å; F542-S573 WeakPolarHBondContact CE2-OG 3.49Å; S569-S573 VanDerWaalsContact O-CB 3.31Å; S569-S573 WeakPolarHBondContact O-CB 3.18Å; S569-S573 PolarHBondContact O-N 2.86Å; S569-S573 PolarHBondContact O-OG 3.18Å; L570-S573 PolarHBondContact O-N 3.37Å; S571-S573 VanDerWaalsContact C-N 3.31Å; S571-S573 PolarHBondContact O-N 2.8Å; S573-S577 PolarHBondContact O-N 3.13Å; S573-S577 PolarHBondContact O-OG 2.9Å |
| 574 | K | 57.4 | Low | 52.9 | Low | 21 Ų | 21 | 58.5 Ų | 58.5 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -56 | 172.6 | -169.4 | -177.4 | 177.5 | -171.1 | 0 | 110.5 | E57 F524 L561 L570 S571 W572 N576 S577 Y578 | E57-K574 IonicContact OE1-NZ 3.64Å; E57-K574 PolarHBondContact OE1-NZ 2.72Å; E57-K574 IonicContact OE2-NZ 2.82Å; E57-K574 PolarHBondContact OE2-NZ 2.84Å; F524-K574 HydrophobicContact CE2-CB 4.33Å; F524-K574 HydrophobicContact CZ-CB 4.4Å; L561-K574 HydrophobicContact CD1-CD 4.4Å; L561-K574 HydrophobicContact CD2-CD 4.2Å; L561-K574 HydrophobicContact CD2-CG 4.27Å; L570-K574 WeakPolarHBondContact O-CB 3.49Å; L570-K574 PolarHBondContact O-N 3Å; S571-K574 PolarHBondContact O-N 3.22Å; W572-K574 PolarHBondContact O-N 3.48Å; K574-N576 VanDerWaalsContact C-N 3.27Å; K574-N576 PolarHBondContact O-N 3.25Å; K574-S577 WeakPolarHBondContact O-CB 3.31Å; K574-S577 PolarHBondContact O-N 3.26Å; K574-Y578 HydrophobicContact CD-CD2 4.26Å; K574-Y578 HydrophobicContact CD-CE2 3.93Å; K574-Y578 HydrophobicContact CG-CD2 3.41Å; K574-Y578 VanDerWaalsContact CG-CD2 3.41Å; K574-Y578 HydrophobicContact CG-CE2 3.35Å; K574-Y578 VanDerWaalsContact O-CD2 3.28Å; K574-Y578 WeakPolarHBondContact O-CD2 3.21Å; K574-Y578 PolarHBondContact O-N 3.29Å |
| 575 | Q | 52.5 | Low | 50.3 | Low | 46 Ų | 46 | 61.9 Ų | 61.9 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52.1 | -46.5 | -177.1 | -176.6 | -177.2 | 3.5 | 0 | 0 | 112.2 | P60 S571 W572 S577 Y578 R579 | P60-Q575 VanDerWaalsContact CB-CD 3.47Å; P60-Q575 HydrophobicContact CB-CG 4.49Å; P60-Q575 VanDerWaalsContact CB-OE1 3.24Å; S571-Q575 WeakPolarHBondContact O-CB 3.31Å; S571-Q575 PolarHBondContact O-N 3.26Å; W572-Q575 PolarHBondContact O-N 2.92Å; Q575-S577 VanDerWaalsContact C-N 3.35Å; Q575-S577 PolarHBondContact O-N 2.98Å; Q575-Y578 PolarHBondContact O-N 3.15Å; Q575-R579 WeakPolarHBondContact O-CB 3.34Å; Q575-R579 PolarHBondContact O-N 3.32Å |
| 576 | N | 48.6 | Very low | 47.9 | Very low | 33 Ų | 33 | 60.9 Ų | 60.9 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | -179.6 | -74 | -58.7 | 0 | 0 | 0 | 112.5 | P539 N540 G543 W572 K574 S580 | P539-N576 PolarHBondContact O-ND2 3.43Å; N540-N576 WeakPolarHBondContact CA-ND2 3.4Å; N540-N576 PolarHBondContact OD1-ND2 2.95Å; G543-N576 WeakPolarHBondContact CA-O 3.32Å; W572-N576 WeakPolarHBondContact O-CB 3.47Å; W572-N576 PolarHBondContact O-N 2.98Å; W572-N576 PolarHBondContact O-ND2 2.88Å; K574-N576 VanDerWaalsContact C-N 3.27Å; K574-N576 PolarHBondContact O-N 3.25Å; N576-S580 PolarHBondContact O-OG 3.07Å |
| 577 | S | 48 | Very low | 45.9 | Very low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -45.6 | 174.1 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | F542 T546 S573 K574 Q575 S580 | F542-S577 WeakPolarHBondContact CB-OG 3Å; T546-S577 WeakPolarHBondContact OG1-CB 3.4Å; T546-S577 PolarHBondContact OG1-OG 3.3Å; S573-S577 PolarHBondContact O-N 3.13Å; S573-S577 PolarHBondContact O-OG 2.9Å; K574-S577 WeakPolarHBondContact O-CB 3.31Å; K574-S577 PolarHBondContact O-N 3.26Å; Q575-S577 VanDerWaalsContact C-N 3.35Å; Q575-S577 PolarHBondContact O-N 2.98Å; S577-S580 WeakPolarHBondContact O-CB 3.29Å |
| 578 | Y | 54.6 | Low | 44 | Very low | 43 Ų | 43 | 68.5 Ų | 68.5 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -75.1 | -35 | -178.8 | -79.2 | -90.4 | 0 | 0 | 0 | 113.5 | L561 K574 Q575 S580 K581 F584 | L561-Y578 HydrophobicContact CD2-CE2 4.27Å; K574-Y578 HydrophobicContact CD-CD2 4.26Å; K574-Y578 HydrophobicContact CD-CE2 3.93Å; K574-Y578 HydrophobicContact CG-CD2 3.41Å; K574-Y578 VanDerWaalsContact CG-CD2 3.41Å; K574-Y578 HydrophobicContact CG-CE2 3.35Å; K574-Y578 VanDerWaalsContact O-CD2 3.28Å; K574-Y578 WeakPolarHBondContact O-CD2 3.21Å; K574-Y578 PolarHBondContact O-N 3.29Å; Q575-Y578 PolarHBondContact O-N 3.15Å; Y578-S580 PolarHBondContact O-N 3.1Å; Y578-S580 VanDerWaalsContact O-N 3.11Å; Y578-K581 PolarHBondContact O-N 3.02Å; Y578-F584 AromaticContact CD1-CE1 3.61Å; Y578-F584 HydrophobicContact CD1-CE1 3.61Å; Y578-F584 AromaticContact CD1-CZ 3.97Å; Y578-F584 HydrophobicContact CD1-CZ 3.97Å; Y578-F584 HydrophobicContact CE1-CD1 4.4Å; Y578-F584 AromaticContact CE1-CE1 3.65Å; Y578-F584 HydrophobicContact CE1-CE1 3.65Å; Y578-F584 HydrophobicContact CE1-CZ 4.45Å |
| 579 | R | 47.3 | Very low | 42.3 | Very low | 200 Ų | 200 | 66.5 Ų | 66.5 | 76% | 0.755 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.5 | -26.9 | 176.3 | -176 | 174.3 | 178.1 | 137.8 | 2.8 | 112.2 | Q575 K581 | Q575-R579 WeakPolarHBondContact O-CB 3.34Å; Q575-R579 PolarHBondContact O-N 3.32Å; R579-K581 VanDerWaalsContact C-N 3.34Å |
| 580 | S | 39.4 | Very low | 40.3 | Very low | 27 Ų | 27 | 72.2 Ų | 72.2 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -27.6 | 177.3 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | G543 N547 M550 N576 S577 Y578 | G543-S580 PolarHBondContact O-OG 2.93Å; N547-S580 VanDerWaalsContact CG-OG 3.28Å; N547-S580 PolarHBondContact ND2-OG 3.12Å; N547-S580 WeakPolarHBondContact OD1-CB 3.46Å; N547-S580 PolarHBondContact OD1-OG 2.9Å; M550-S580 VanDerWaalsContact CE-O 3.25Å; M550-S580 WeakPolarHBondContact CE-O 3.29Å; M550-S580 VanDerWaalsContact SD-C 3.51Å; N576-S580 PolarHBondContact O-OG 3.07Å; S577-S580 WeakPolarHBondContact O-CB 3.29Å; Y578-S580 PolarHBondContact O-N 3.1Å; Y578-S580 VanDerWaalsContact O-N 3.11Å |
| 581 | K | 37 | Very low | 38.3 | Very low | 25 Ų | 25 | 82.4 Ų | 82.4 | 11% | 0.109 | 38% | 0.379 | C | S | . | . | trans | -139.4 | 49.5 | -152.8 | -166.1 | -132.3 | 171 | -168.2 | 0 | 114.3 | T546 M550 L557 L558 I559 Y578 R579 E583 | T546-K581 HydrophobicContact CG2-CB 4.46Å; M550-K581 HydrophobicContact SD-CB 3.82Å; M550-K581 HydrophobicContact SD-CG 4.11Å; L557-K581 HydrophobicContact CD2-CD 3.52Å; L557-K581 HydrophobicContact CD2-CG 4.2Å; L557-K581 WeakPolarHBondContact O-CE 3.46Å; L557-K581 PolarHBondContact O-NZ 3.08Å; L558-K581 VanDerWaalsContact CA-NZ 3.26Å; I559-K581 HydrophobicContact CD1-CD 4.03Å; I559-K581 HydrophobicContact CG1-CD 4.17Å; Y578-K581 PolarHBondContact O-N 3.02Å; R579-K581 VanDerWaalsContact C-N 3.34Å; K581-E583 VanDerWaalsContact C-N 3.34Å; K581-E583 PolarHBondContact O-N 2.59Å | ||
| 582 | C | 25.7 | Very low | 36.9 | Very low | 107 Ų | 107 | 85.4 Ų | 85.4 | 72% | 0.723 | 40% | 0.401 | S | S | * | . | trans | -58.7 | 86.9 | 176.1 | -72 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 583 | E | 26.1 | Very low | 35.6 | Very low | 106 Ų | 106 | 85.4 Ų | 85.4 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | trans | -174 | 132 | 154 | -103.8 | 175.2 | -176.1 | 0 | 0 | 109.5 | K581 | K581-E583 VanDerWaalsContact C-N 3.34Å; K581-E583 PolarHBondContact O-N 2.59Å | ||
| 584 | F | 26.9 | Very low | 34.2 | Very low | 104 Ų | 104 | 93.1 Ų | 93.1 | 46% | 0.456 | 46% | 0.458 | S | S | . | . | trans | -121.6 | 146.7 | -159.6 | -68.9 | -91.2 | 0 | 0 | 0 | 113.2 | P387 Y578 | P387-F584 HydrophobicContact CG-CD1 3.92Å; Y578-F584 AromaticContact CD1-CE1 3.61Å; Y578-F584 HydrophobicContact CD1-CE1 3.61Å; Y578-F584 AromaticContact CD1-CZ 3.97Å; Y578-F584 HydrophobicContact CD1-CZ 3.97Å; Y578-F584 HydrophobicContact CE1-CD1 4.4Å; Y578-F584 AromaticContact CE1-CE1 3.65Å; Y578-F584 HydrophobicContact CE1-CE1 3.65Å; Y578-F584 HydrophobicContact CE1-CZ 4.45Å | ||
| 585 | L | 25.1 | Very low | 32.7 | Very low | 75 Ų | 75 | 94.3 Ų | 94.3 | 39% | 0.393 | 47% | 0.468 | S | S | . | . | trans | -144.8 | 146.4 | 172.4 | -96.5 | 163.1 | 0 | 0 | 0 | 110.3 | L366 L558 | L366-L585 HydrophobicContact CD2-CD1 4.41Å; L366-L585 HydrophobicContact CD2-CD2 4.11Å; L366-L585 HydrophobicContact CD2-CG 4.2Å; L558-L585 HydrophobicContact CD2-CB 4.04Å | ||
| 586 | V | 26 | Very low | 31.4 | Very low | 49 Ų | 49 | 95.7 Ų | 95.7 | 30% | 0.297 | 49% | 0.494 | S | S | . | . | trans | -137 | 154.1 | -163.5 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | P387 | P387-V586 HydrophobicContact CB-CG2 3.42Å; P387-V586 VanDerWaalsContact CB-CG2 3.42Å; P387-V586 HydrophobicContact CG-CG2 4.06Å | ||
| 587 | E | 29.9 | Very low | 30.3 | Very low | 86 Ų | 86 | 97.6 Ų | 97.6 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | trans | -128 | 147.2 | -179.8 | -162.5 | 173.7 | -130.6 | 0 | 0 | 112.1 | ||||
| 588 | Y | 25.5 | Very low | 29.3 | Very low | 215 Ų | 215 | 108.2 Ų | 108.2 | 84% | 0.843 | 54% | 0.541 | S | S | * | . | trans | -154.8 | 154.2 | 135.6 | -140.9 | -94.4 | 0 | 0 | 0 | 111.1 | ||||
| 589 | N | 25.8 | Very low | 27.9 | Very low | 103 Ų | 103 | 111.1 Ų | 111.1 | 55% | 0.551 | 56% | 0.559 | S | S | * | * | trans | -123.9 | 143.9 | -162.4 | -145.7 | -4 | 0 | 0 | 0 | 112.7 | ||||
| 590 | N | 25.2 | Very low | 26.8 | Very low | 132 Ų | 132 | 105.2 Ų | 105.2 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | trans | 65.5 | 107.8 | 156.1 | -75.1 | -27.8 | 0 | 0 | 0 | 123.6 | ||||
| 591 | R | 24.3 | Very low | 26.2 | Very low | 241 Ų | 241 | 109.3 Ų | 109.3 | 91% | 0.909 | 57% | 0.572 | S | S | * | * | 6.8 | 113.4 | 126 | -64.3 | -179.9 | 179.8 | -179.5 | -0.1 | 116.8 | |||||
| 592 | S | 25 | Very low | 25.7 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | -167.3 | 152.5 | 122.8 | 49.6 | 0 | 0 | 0 | 0 | 107.9 | E594 | S592-E594 PolarHBondContact O-N 3.42Š| |||
| 593 | A | 22.9 | Very low | 25.8 | Very low | 103 Ų | 103 | 112.3 Ų | 112.3 | 85% | 0.851 | 58% | 0.575 | S | S | * | * | trans | -58.4 | 92.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V595 | A593-V595 PolarHBondContact O-N 2.99Š| ||
| 594 | E | 25.2 | Very low | 25.9 | Very low | 161 Ų | 161 | 115.2 Ų | 115.2 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | trans | -84.6 | 118.2 | -176.3 | -78.9 | -168.6 | 160.2 | 0 | 0 | 110.3 | S592 G596 | S592-E594 PolarHBondContact O-N 3.42Å; E594-G596 PolarHBondContact O-N 3.07Å | ||
| 595 | V | 26.4 | Very low | 25.9 | Very low | 47 Ų | 47 | 117.8 Ų | 117.8 | 29% | 0.285 | 60% | 0.602 | S | S | . | * | trans | -54.7 | 106.1 | 155.2 | -176.9 | 0 | 0 | 0 | 0 | 106.4 | A593 F597 P639 | A593-V595 PolarHBondContact O-N 2.99Å; V595-F597 HydrophobicContact CB-CD2 4.49Å; V595-F597 HydrophobicContact CB-CE2 3.92Å; V595-F597 HydrophobicContact CB-CZ 4.39Å; V595-F597 HydrophobicContact CG1-CE2 3.98Å; V595-F597 HydrophobicContact CG1-CZ 4Å; V595-F597 WeakPolarHBondContact O-CD2 3.36Å; V595-F597 PolarHBondContact O-N 3.19Å; V595-P639 HydrophobicContact CB-CB 4.5Å; V595-P639 HydrophobicContact CB-CG 4.25Å; V595-P639 HydrophobicContact CG1-CB 3.63Å; V595-P639 HydrophobicContact CG1-CG 3.89Å; V595-P639 HydrophobicContact CG2-CB 4.14Å; V595-P639 HydrophobicContact CG2-CG 3.4Å; V595-P639 VanDerWaalsContact CG2-CG 3.4Å | ||
| 596 | G | 23.8 | Very low | 25.8 | Very low | 75 Ų | 75 | 115.6 Ų | 115.6 | 77% | 0.773 | 59% | 0.592 | S | S | * | * | trans | -63 | 98.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E594 R598 | E594-G596 PolarHBondContact O-N 3.07Å; G596-R598 PolarHBondContact O-N 3.45Å | ||
| 597 | F | 25.9 | Very low | 25.6 | Very low | 72 Ų | 72 | 117 Ų | 117 | 32% | 0.316 | 60% | 0.596 | S | S | . | * | trans | -84.7 | 105.5 | 169.8 | -68 | -80.4 | 0 | 0 | 0 | 108.7 | V595 L599 V625 F628 I632 | V595-F597 HydrophobicContact CB-CD2 4.49Å; V595-F597 HydrophobicContact CB-CE2 3.92Å; V595-F597 HydrophobicContact CB-CZ 4.39Å; V595-F597 HydrophobicContact CG1-CE2 3.98Å; V595-F597 HydrophobicContact CG1-CZ 4Å; V595-F597 WeakPolarHBondContact O-CD2 3.36Å; V595-F597 PolarHBondContact O-N 3.19Å; F597-L599 VanDerWaalsContact C-N 3.33Å; F597-L599 PolarHBondContact O-N 2.96Å; F597-V625 HydrophobicContact CD1-CG1 4.5Å; F597-V625 HydrophobicContact CD2-CG1 4.01Å; F597-V625 HydrophobicContact CE2-CG1 4.29Å; F597-V625 HydrophobicContact CG-CG1 4.13Å; F597-F628 AromaticContact CE1-CD1 3.86Å; F597-F628 HydrophobicContact CE1-CD1 3.86Å; F597-F628 HydrophobicContact CE1-CE1 4.13Å; F597-F628 HydrophobicContact CZ-CD1 4.17Å; F597-I632 HydrophobicContact CZ-CD1 3.95Å | ||
| 598 | R | 27 | Very low | 25.4 | Very low | 223 Ų | 223 | 119.4 Ų | 119.4 | 84% | 0.842 | 62% | 0.617 | S | S | * | * | trans | -72.2 | 88.7 | 172.3 | -164.7 | 179.2 | -167.4 | 162.9 | 3.9 | 109.4 | G596 T600 | G596-R598 PolarHBondContact O-N 3.45Å; R598-T600 PolarHBondContact O-N 3.18Å; R598-T600 PolarHBondContact O-OG1 3.28Å | ||
| 599 | L | 25.6 | Very low | 25.3 | Very low | 105 Ų | 105 | 110.5 Ų | 110.5 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | trans | -64.5 | 87.7 | 165.1 | -82 | 160.7 | 0 | 0 | 0 | 108 | F597 C601 | F597-L599 VanDerWaalsContact C-N 3.33Å; F597-L599 PolarHBondContact O-N 2.96Å; L599-C601 VanDerWaalsContact C-N 3.28Å; L599-C601 PolarHBondContact O-N 3.29Å | ||
| 600 | T | 25.2 | Very low | 25.2 | Very low | 75 Ų | 75 | 107 Ų | 107 | 46% | 0.46 | 57% | 0.573 | S | S | . | * | trans | -82.8 | 82.9 | 177.9 | -30.1 | 0 | 0 | 0 | 0 | 106.9 | R598 H602 | R598-T600 PolarHBondContact O-N 3.18Å; R598-T600 PolarHBondContact O-OG1 3.28Å; T600-H602 WeakPolarHBondContact CG2-CE1 3.5Å; T600-H602 PolarHBondContact O-N 3.07Å | ||
| 601 | C | 26 | Very low | 25.3 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 76% | 0.764 | 56% | 0.562 | S | S | * | * | trans | -66.6 | 92.8 | 163.3 | -171.7 | 0 | 0 | 0 | 0 | 106.2 | L599 K603 | L599-C601 VanDerWaalsContact C-N 3.28Å; L599-C601 PolarHBondContact O-N 3.29Å; C601-K603 PolarHBondContact O-N 3.15Å | ||
| 602 | H | 25.7 | Very low | 25.4 | Very low | 122 Ų | 122 | 104.8 Ų | 104.8 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -70.3 | 76.9 | 176.9 | -81.2 | -41 | 0 | 0 | 0 | 109.5 | T600 R845 | T600-H602 WeakPolarHBondContact CG2-CE1 3.5Å; T600-H602 PolarHBondContact O-N 3.07Å; H602-R845 PolarHBondContact CE1-NH2 3.09Å; H602-R845 PolarHBondContact ND1-NH2 2.98Å; H602-R845 PolarHBondContact NE2-NH2 2.85Å |
| 603 | K | 28.5 | Very low | 25.9 | Very low | 74 Ų | 74 | 105.9 Ų | 105.9 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | trans | 172.9 | 100.9 | 158.4 | -94.8 | 147.5 | -171.1 | -69.6 | 0 | 109.9 | C601 H605 C606 Q741 | C601-K603 PolarHBondContact O-N 3.15Å; K603-H605 PolarHBondContact O-N 3.44Å; K603-C606 HydrophobicContact CB-CB 4.18Å; K603-C606 HydrophobicContact CD-CB 4Å; K603-C606 HydrophobicContact CG-CB 4.1Å; K603-Q741 WeakPolarHBondContact CE-O 3.04Å; K603-Q741 PolarHBondContact NZ-O 2.86Å | ||
| 604 | E | 27.9 | Very low | 26.6 | Very low | 166 Ų | 166 | 102.5 Ų | 102.5 | 78% | 0.776 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -77.1 | -3.7 | 164.6 | -74.1 | -177.6 | 163.9 | 0 | 0 | 112.7 | ||
| 605 | H | 27.4 | Very low | 27.5 | Very low | 158 Ų | 158 | 100.7 Ų | 100.7 | 73% | 0.731 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -126.9 | 16.1 | -171.8 | -60.4 | -42.9 | 0 | 0 | 0 | 116 | K603 | K603-H605 PolarHBondContact O-N 3.44Š|
| 606 | C | 22.5 | Very low | 28.5 | Very low | 30 Ų | 30 | 103.7 Ų | 103.7 | 20% | 0.203 | 54% | 0.539 | C | S | . | . | trans | -128.4 | 53.9 | 175.5 | -75.3 | 0 | 0 | 0 | 0 | 111.5 | K603 | K603-C606 HydrophobicContact CB-CB 4.18Å; K603-C606 HydrophobicContact CD-CB 4Å; K603-C606 HydrophobicContact CG-CB 4.1Å | ||
| 607 | M | 22.8 | Very low | 29.9 | Very low | 77 Ų | 77 | 103.2 Ų | 103.2 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | trans | -97.1 | -14.7 | -178 | -87.5 | -178.7 | 61.2 | 0 | 0 | 115.1 | A609 | M607-A609 VanDerWaalsContact C-N 3.34Å; M607-A609 PolarHBondContact O-N 2.88Å | ||
| 608 | V | 25 | Very low | 31.3 | Very low | 137 Ų | 137 | 103.5 Ų | 103.5 | 83% | 0.83 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -70.1 | -26.2 | -165.1 | -174.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 609 | A | 23.3 | Very low | 32.8 | Very low | 29 Ų | 29 | 98.6 Ų | 98.6 | 24% | 0.24 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -108.9 | -15.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | M607 M611 K745 V749 | M607-A609 VanDerWaalsContact C-N 3.34Å; M607-A609 PolarHBondContact O-N 2.88Å; A609-M611 VanDerWaalsContact C-N 3.28Å; A609-M611 PolarHBondContact O-N 2.66Å; A609-K745 HydrophobicContact CB-CB 4.19Å; A609-K745 HydrophobicContact CB-CG 3.63Å; A609-K745 WeakPolarHBondContact O-CG 3.13Å; A609-V749 HydrophobicContact CB-CG2 3.75Å |
| 610 | A | 24.5 | Very low | 34.4 | Very low | 29 Ų | 29 | 94 Ų | 94 | 24% | 0.24 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 1.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y612 G614 N743 | A610-Y612 VanDerWaalsContact C-N 3.35Å; A610-Y612 PolarHBondContact O-N 2.92Å; A610-G614 PolarHBondContact O-N 2.98Å; A610-N743 WeakPolarHBondContact CB-ND2 2.87Å |
| 611 | M | 26.8 | Very low | 36.2 | Very low | 96 Ų | 96 | 92.8 Ų | 92.8 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.8 | -165.6 | -77.5 | -174.3 | 60.7 | 0 | 0 | 115.5 | K56 A609 | K56-M611 HydrophobicContact CB-CE 4.27Å; K56-M611 HydrophobicContact CD-CE 3.56Å; K56-M611 HydrophobicContact CD-SD 4.47Å; K56-M611 HydrophobicContact CG-CE 3.9Å; K56-M611 HydrophobicContact CG-SD 4.36Å; A609-M611 VanDerWaalsContact C-N 3.28Å; A609-M611 PolarHBondContact O-N 2.66Å |
| 612 | Y | 26.8 | Very low | 37.9 | Very low | 230 Ų | 230 | 93.6 Ų | 93.6 | 90% | 0.902 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -27.2 | -178.8 | -81.1 | -83.3 | 0 | 0 | 0 | 114.2 | A610 | A610-Y612 VanDerWaalsContact C-N 3.35Å; A610-Y612 PolarHBondContact O-N 2.92Å |
| 613 | D | 34.5 | Very low | 39.8 | Very low | 102 Ų | 102 | 91.2 Ų | 91.2 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -17.2 | -175.7 | -151.7 | -0.6 | 0 | 0 | 0 | 113.3 | Q615 H616 I617 | D613-Q615 PolarHBondContact O-N 2.96Å; D613-Q615 VanDerWaalsContact O-N 3.15Å; D613-H616 PolarHBondContact O-N 2.81Å; D613-H616 VanDerWaalsContact O-N 3.09Å; D613-I617 PolarHBondContact O-N 2.79Å |
| 614 | G | 38.8 | Very low | 41.6 | Very low | 32 Ų | 32 | 87.7 Ų | 87.7 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -24.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A610 L618 | A610-G614 PolarHBondContact O-N 2.98Å; G614-L618 VanDerWaalsContact O-CB 3.23Å; G614-L618 WeakPolarHBondContact O-CB 3.26Å; G614-L618 PolarHBondContact O-N 3.08Å |
| 615 | Q | 42.5 | Very low | 43.4 | Very low | 123 Ų | 123 | 81.2 Ų | 81.2 | 58% | 0.575 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.7 | -41 | 174.5 | -75.8 | -170.8 | -18.1 | 0 | 0 | 111.9 | D613 L618 M619 | D613-Q615 PolarHBondContact O-N 2.96Å; D613-Q615 VanDerWaalsContact O-N 3.15Å; Q615-L618 PolarHBondContact O-N 3.48Å; Q615-M619 WeakPolarHBondContact O-CB 3.1Å; Q615-M619 PolarHBondContact O-N 3.36Å |
| 616 | H | 48.5 | Very low | 45.2 | Very low | 110 Ų | 110 | 76.3 Ų | 76.3 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 177 | -158.8 | -103.9 | 0 | 0 | 0 | 109.8 | D613 L618 M619 V620 | D613-H616 PolarHBondContact O-N 2.81Å; D613-H616 VanDerWaalsContact O-N 3.09Å; H616-L618 VanDerWaalsContact C-N 3.32Å; H616-L618 PolarHBondContact O-N 2.88Å; H616-M619 WeakPolarHBondContact O-CB 3.35Å; H616-M619 PolarHBondContact O-N 3.05Å; H616-M619 VanDerWaalsContact O-N 3.1Å; H616-V620 WeakPolarHBondContact O-CG2 3.29Å; H616-V620 PolarHBondContact O-N 2.82Å |
| 617 | I | 53.3 | Low | 47.5 | Very low | 64 Ų | 64 | 76.2 Ų | 76.2 | 33% | 0.328 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.2 | -44 | 174.9 | -64.8 | 172.7 | 0 | 0 | 0 | 111.7 | D613 M619 V620 M621 C656 | D613-I617 PolarHBondContact O-N 2.79Å; I617-M619 VanDerWaalsContact C-N 3.32Å; I617-M619 PolarHBondContact O-N 2.85Å; I617-V620 PolarHBondContact O-N 2.82Å; I617-M621 HydrophobicContact CG2-CE 3.76Å; I617-M621 HydrophobicContact CG2-CG 4.35Å; I617-M621 HydrophobicContact CG2-SD 4.18Å; I617-M621 WeakPolarHBondContact O-CB 3.47Å; I617-M621 VanDerWaalsContact O-CG 3.31Å; I617-M621 WeakPolarHBondContact O-CG 3.44Å; I617-M621 PolarHBondContact O-N 3.26Å; I617-C656 HydrophobicContact CG2-CB 4.09Å |
| 618 | L | 55.3 | Low | 49.9 | Very low | 78 Ų | 78 | 72.9 Ų | 72.9 | 41% | 0.408 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 178.8 | -172.7 | 68.4 | 0 | 0 | 0 | 111.6 | G614 Q615 H616 M621 K622 | G614-L618 VanDerWaalsContact O-CB 3.23Å; G614-L618 WeakPolarHBondContact O-CB 3.26Å; G614-L618 PolarHBondContact O-N 3.08Å; Q615-L618 PolarHBondContact O-N 3.48Å; H616-L618 VanDerWaalsContact C-N 3.32Å; H616-L618 PolarHBondContact O-N 2.88Å; L618-M621 PolarHBondContact O-N 2.91Å; L618-K622 HydrophobicContact CG-CD 4.47Å; L618-K622 WeakPolarHBondContact O-CB 3.33Å; L618-K622 VanDerWaalsContact O-CG 3.3Å; L618-K622 WeakPolarHBondContact O-CG 3.25Å; L618-K622 PolarHBondContact O-N 2.9Å |
| 619 | M | 57 | Low | 51.8 | Low | 120 Ų | 120 | 71.3 Ų | 71.3 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.4 | -46.2 | 175.6 | -163 | 178.9 | 74.7 | 0 | 0 | 111.1 | Q615 H616 I617 M621 K622 F623 | Q615-M619 WeakPolarHBondContact O-CB 3.1Å; Q615-M619 PolarHBondContact O-N 3.36Å; H616-M619 WeakPolarHBondContact O-CB 3.35Å; H616-M619 PolarHBondContact O-N 3.05Å; H616-M619 VanDerWaalsContact O-N 3.1Å; I617-M619 VanDerWaalsContact C-N 3.32Å; I617-M619 PolarHBondContact O-N 2.85Å; M619-M621 PolarHBondContact O-N 2.8Å; M619-K622 PolarHBondContact O-N 3.3Å; M619-F623 WeakPolarHBondContact O-CB 3.36Å; M619-F623 PolarHBondContact O-N 2.75Å |
| 620 | V | 60.4 | Low | 54 | Low | 10 Ų | 10 | 73.8 Ų | 73.8 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 173.1 | 175 | 0 | 0 | 0 | 0 | 110.9 | H616 I617 K622 F623 V624 I661 L696 | H616-V620 WeakPolarHBondContact O-CG2 3.29Å; H616-V620 PolarHBondContact O-N 2.82Å; I617-V620 PolarHBondContact O-N 2.82Å; V620-K622 PolarHBondContact O-N 3.37Å; V620-F623 PolarHBondContact O-N 2.83Å; V620-V624 HydrophobicContact CG1-CG2 4.41Å; V620-V624 WeakPolarHBondContact O-CG2 3.12Å; V620-V624 PolarHBondContact O-N 2.6Å; V620-I661 HydrophobicContact CG1-CD1 3.45Å; V620-I661 VanDerWaalsContact CG1-CD1 3.45Å; V620-I661 HydrophobicContact CG1-CG1 4.19Å; V620-L696 HydrophobicContact CB-CD2 4.31Å; V620-L696 HydrophobicContact CG1-CD1 4.36Å; V620-L696 HydrophobicContact CG1-CD2 4.02Å; V620-L696 HydrophobicContact CG2-CD2 3.59Å |
| 621 | M | 62.7 | Low | 56.1 | Low | 48 Ų | 48 | 73.5 Ų | 73.5 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 178.8 | -75.3 | -175.5 | 177.1 | 0 | 0 | 111.9 | I617 L618 M619 F623 V624 V625 | I617-M621 HydrophobicContact CG2-CE 3.76Å; I617-M621 HydrophobicContact CG2-CG 4.35Å; I617-M621 HydrophobicContact CG2-SD 4.18Å; I617-M621 WeakPolarHBondContact O-CB 3.47Å; I617-M621 VanDerWaalsContact O-CG 3.31Å; I617-M621 WeakPolarHBondContact O-CG 3.44Å; I617-M621 PolarHBondContact O-N 3.26Å; L618-M621 PolarHBondContact O-N 2.91Å; M619-M621 PolarHBondContact O-N 2.8Å; M621-F623 VanDerWaalsContact C-N 3.33Å; M621-F623 PolarHBondContact O-N 2.91Å; M621-V624 PolarHBondContact O-N 3.4Å; M621-V625 WeakPolarHBondContact O-CB 3.31Å; M621-V625 VanDerWaalsContact O-CG2 3.22Å; M621-V625 WeakPolarHBondContact O-CG2 3.18Å; M621-V625 PolarHBondContact O-N 2.97Å |
| 622 | K | 60.8 | Low | 57.9 | Low | 131 Ų | 131 | 69.5 Ų | 69.5 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.4 | -42.4 | 176.1 | -78.6 | 179.9 | 176.4 | -174.8 | 0 | 111.5 | L618 M619 V620 V625 S626 | L618-K622 HydrophobicContact CG-CD 4.47Å; L618-K622 WeakPolarHBondContact O-CB 3.33Å; L618-K622 VanDerWaalsContact O-CG 3.3Å; L618-K622 WeakPolarHBondContact O-CG 3.25Å; L618-K622 PolarHBondContact O-N 2.9Å; M619-K622 PolarHBondContact O-N 3.3Å; V620-K622 PolarHBondContact O-N 3.37Å; K622-V625 PolarHBondContact O-N 3.49Å; K622-S626 WeakPolarHBondContact O-CB 3.43Å; K622-S626 PolarHBondContact O-N 2.92Å |
| 623 | F | 66 | Low | 59.5 | Low | 71 Ų | 71 | 63.3 Ų | 63.3 | 31% | 0.311 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 176.7 | 179.9 | -91.1 | 0 | 0 | 0 | 111.3 | M619 V620 M621 V625 S626 Q627 M693 L696 | M619-F623 WeakPolarHBondContact O-CB 3.36Å; M619-F623 PolarHBondContact O-N 2.75Å; V620-F623 PolarHBondContact O-N 2.83Å; M621-F623 VanDerWaalsContact C-N 3.33Å; M621-F623 PolarHBondContact O-N 2.91Å; F623-V625 VanDerWaalsContact C-N 3.32Å; F623-V625 PolarHBondContact O-N 2.91Å; F623-S626 CarbonylContact O-C 3.12Å; F623-S626 WeakPolarHBondContact O-CA 3.46Å; F623-S626 WeakPolarHBondContact O-CB 3.42Å; F623-S626 PolarHBondContact O-N 3.35Å; F623-S626 VanDerWaalsContact O-N 3.09Å; F623-Q627 HydrophobicContact CD1-CG 3.99Å; F623-Q627 HydrophobicContact CE1-CG 3.6Å; F623-Q627 HydrophobicContact CE2-CG 4.39Å; F623-Q627 VanDerWaalsContact CE2-NE2 3.31Å; F623-Q627 HydrophobicContact CZ-CG 3.83Å; F623-Q627 VanDerWaalsContact CZ-NE2 3.32Å; F623-Q627 WeakPolarHBondContact O-CG 3.4Å; F623-Q627 PolarHBondContact O-N 3.25Å; F623-M693 HydrophobicContact CE1-SD 3.52Å; F623-M693 VanDerWaalsContact CE1-SD 3.52Å; F623-M693 HydrophobicContact CZ-SD 3.82Å; F623-L696 HydrophobicContact CB-CD1 4.48Å; F623-L696 HydrophobicContact CD1-CD1 3.17Å; F623-L696 HydrophobicContact CE1-CD1 3.51Å; F623-L696 HydrophobicContact CG-CD1 4.03Å |
| 624 | V | 66.2 | Low | 60.5 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | V620 M621 Q627 F628 V654 I663 F688 | V620-V624 HydrophobicContact CG1-CG2 4.41Å; V620-V624 WeakPolarHBondContact O-CG2 3.12Å; V620-V624 PolarHBondContact O-N 2.6Å; M621-V624 PolarHBondContact O-N 3.4Å; V624-Q627 PolarHBondContact O-N 3.09Å; V624-F628 WeakPolarHBondContact O-CB 3.33Å; V624-F628 PolarHBondContact O-N 3.39Å; V624-V654 HydrophobicContact CB-CG1 4.35Å; V624-V654 HydrophobicContact CB-CG2 4.17Å; V624-V654 HydrophobicContact CG1-CB 4.5Å; V624-V654 HydrophobicContact CG1-CG1 4.16Å; V624-V654 HydrophobicContact CG1-CG2 3.49Å; V624-V654 VanDerWaalsContact CG1-CG2 3.49Å; V624-V654 HydrophobicContact CG2-CG1 4.35Å; V624-I663 HydrophobicContact CG1-CD1 3.67Å; V624-I663 HydrophobicContact CG1-CG1 4.16Å; V624-F688 HydrophobicContact CG1-CE1 4.01Å |
| 625 | V | 66.4 | Low | 61.3 | Low | 30 Ų | 30 | 64 Ų | 64 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | F597 M621 K622 F623 F628 R629 L652 | F597-V625 HydrophobicContact CD1-CG1 4.5Å; F597-V625 HydrophobicContact CD2-CG1 4.01Å; F597-V625 HydrophobicContact CE2-CG1 4.29Å; F597-V625 HydrophobicContact CG-CG1 4.13Å; M621-V625 WeakPolarHBondContact O-CB 3.31Å; M621-V625 VanDerWaalsContact O-CG2 3.22Å; M621-V625 WeakPolarHBondContact O-CG2 3.18Å; M621-V625 PolarHBondContact O-N 2.97Å; K622-V625 PolarHBondContact O-N 3.49Å; F623-V625 VanDerWaalsContact C-N 3.32Å; F623-V625 PolarHBondContact O-N 2.91Å; V625-F628 PolarHBondContact O-N 3.46Å; V625-R629 WeakPolarHBondContact O-CB 3.37Å; V625-R629 PolarHBondContact O-N 3.18Å; V625-L652 HydrophobicContact CG2-CD2 4.26Å |
| 626 | S | 64.8 | Low | 61.7 | Low | 55 Ų | 55 | 61.7 Ų | 61.7 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 112 | K622 F623 R629 N630 | K622-S626 WeakPolarHBondContact O-CB 3.43Å; K622-S626 PolarHBondContact O-N 2.92Å; F623-S626 CarbonylContact O-C 3.12Å; F623-S626 WeakPolarHBondContact O-CA 3.46Å; F623-S626 WeakPolarHBondContact O-CB 3.42Å; F623-S626 PolarHBondContact O-N 3.35Å; F623-S626 VanDerWaalsContact O-N 3.09Å; S626-R629 WeakPolarHBondContact O-CB 3.39Å; S626-R629 PolarHBondContact O-N 3.45Å; S626-N630 VanDerWaalsContact O-CG 3.29Å; S626-N630 PolarHBondContact O-N 3.42Å; S626-N630 PolarHBondContact O-ND2 2.7Å |
| 627 | Q | 70 | Confident | 62 | Low | 28 Ų | 28 | 59.8 Ų | 59.8 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 175 | -65.9 | -46.2 | -31.4 | 0 | 0 | 111 | F623 V624 R629 N630 L631 H687 F688 M693 | F623-Q627 HydrophobicContact CD1-CG 3.99Å; F623-Q627 HydrophobicContact CE1-CG 3.6Å; F623-Q627 HydrophobicContact CE2-CG 4.39Å; F623-Q627 VanDerWaalsContact CE2-NE2 3.31Å; F623-Q627 HydrophobicContact CZ-CG 3.83Å; F623-Q627 VanDerWaalsContact CZ-NE2 3.32Å; F623-Q627 WeakPolarHBondContact O-CG 3.4Å; F623-Q627 PolarHBondContact O-N 3.25Å; V624-Q627 PolarHBondContact O-N 3.09Å; Q627-R629 PolarHBondContact O-N 3.08Å; Q627-N630 CarbonylContact O-C 3.58Å; Q627-N630 WeakPolarHBondContact O-CA 3.48Å; Q627-N630 WeakPolarHBondContact O-CB 3.35Å; Q627-N630 PolarHBondContact O-N 3.04Å; Q627-L631 PolarHBondContact O-N 2.73Å; Q627-H687 PolarHBondContact O-NE2 2.95Å; Q627-F688 HydrophobicContact CB-CE1 3.95Å; Q627-M693 HydrophobicContact CG-SD 4.32Å |
| 628 | F | 73.6 | Confident | 61.7 | Low | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 173.4 | -169.6 | -114.2 | 0 | 0 | 0 | 112.1 | F597 V624 V625 L631 I632 W649 L652 I665 F688 | F597-F628 AromaticContact CE1-CD1 3.86Å; F597-F628 HydrophobicContact CE1-CD1 3.86Å; F597-F628 HydrophobicContact CE1-CE1 4.13Å; F597-F628 HydrophobicContact CZ-CD1 4.17Å; V624-F628 WeakPolarHBondContact O-CB 3.33Å; V624-F628 PolarHBondContact O-N 3.39Å; V625-F628 PolarHBondContact O-N 3.46Å; F628-L631 HydrophobicContact CD2-CD2 4.33Å; F628-L631 HydrophobicContact CE2-CD2 4.49Å; F628-L631 WeakPolarHBondContact O-CB 3.23Å; F628-L631 PolarHBondContact O-N 3.19Å; F628-I632 HydrophobicContact CD1-CD1 4.46Å; F628-I632 HydrophobicContact CD1-CG2 4.25Å; F628-I632 HydrophobicContact CD2-CG2 4.45Å; F628-I632 HydrophobicContact CE1-CD1 4.42Å; F628-I632 HydrophobicContact CE1-CG2 3.85Å; F628-I632 HydrophobicContact CE2-CG2 4.04Å; F628-I632 HydrophobicContact CZ-CG2 3.74Å; F628-I632 WeakPolarHBondContact O-CG1 3.36Å; F628-I632 WeakPolarHBondContact O-CG2 3.19Å; F628-I632 PolarHBondContact O-N 3.4Å; F628-W649 AromaticContact CE2-CE3 3.99Å; F628-W649 HydrophobicContact CE2-CE3 3.99Å; F628-W649 HydrophobicContact CE2-CH2 4.38Å; F628-W649 AromaticContact CE2-CZ3 3.81Å; F628-W649 HydrophobicContact CE2-CZ3 3.81Å; F628-W649 HydrophobicContact CZ-CD2 4.12Å; F628-W649 AromaticContact CZ-CE3 3.59Å; F628-W649 HydrophobicContact CZ-CE3 3.59Å; F628-W649 AromaticContact CZ-CZ3 3.92Å; F628-W649 HydrophobicContact CZ-CZ3 3.92Å; F628-L652 HydrophobicContact CB-CD2 3.71Å; F628-L652 HydrophobicContact CD1-CB 4.15Å; F628-L652 HydrophobicContact CD1-CD1 4.46Å; F628-L652 HydrophobicContact CD1-CD2 3.81Å; F628-L652 HydrophobicContact CD1-CG 4.37Å; F628-L652 HydrophobicContact CD2-CD1 4.07Å; F628-L652 HydrophobicContact CE1-CB 4.13Å; F628-L652 HydrophobicContact CE2-CD1 4.35Å; F628-L652 HydrophobicContact CG-CD1 4.13Å; F628-L652 HydrophobicContact CG-CD2 3.75Å; F628-L652 HydrophobicContact CG-CG 4.39Å; F628-I665 HydrophobicContact CD2-CD1 4.34Å; F628-I665 HydrophobicContact CE2-CD1 3.92Å; F628-I665 HydrophobicContact CE2-CG1 4.32Å; F628-I665 HydrophobicContact CE2-CG2 4.31Å; F628-F688 HydrophobicContact CB-CZ 3.97Å; F628-F688 HydrophobicContact CD2-CE2 4.15Å; F628-F688 HydrophobicContact CD2-CZ 4.09Å |
| 629 | R | 66 | Low | 61.5 | Low | 105 Ų | 105 | 57.6 Ų | 57.6 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 172.7 | -175.1 | -176.6 | 178.3 | -175 | 0 | 111.6 | V625 S626 Q627 L631 I632 L633 | V625-R629 WeakPolarHBondContact O-CB 3.37Å; V625-R629 PolarHBondContact O-N 3.18Å; S626-R629 WeakPolarHBondContact O-CB 3.39Å; S626-R629 PolarHBondContact O-N 3.45Å; Q627-R629 PolarHBondContact O-N 3.08Å; R629-L631 PolarHBondContact O-N 3.03Å; R629-I632 WeakPolarHBondContact O-CG1 3.5Å; R629-I632 PolarHBondContact O-N 3.43Å; R629-L633 HydrophobicContact CG-CD1 3.65Å; R629-L633 HydrophobicContact CG-CG 3.97Å; R629-L633 WeakPolarHBondContact O-CB 3.35Å; R629-L633 WeakPolarHBondContact O-CG 3.33Å; R629-L633 PolarHBondContact O-N 2.97Å |
| 630 | N | 68.1 | Low | 60.7 | Low | 81 Ų | 81 | 55.4 Ų | 55.4 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -25.8 | 176.8 | -69 | -19.6 | 0 | 0 | 0 | 112.8 | S626 Q627 P634 | S626-N630 VanDerWaalsContact O-CG 3.29Å; S626-N630 PolarHBondContact O-N 3.42Å; S626-N630 PolarHBondContact O-ND2 2.7Å; Q627-N630 CarbonylContact O-C 3.58Å; Q627-N630 WeakPolarHBondContact O-CA 3.48Å; Q627-N630 WeakPolarHBondContact O-CB 3.35Å; Q627-N630 PolarHBondContact O-N 3.04Å; N630-P634 WeakPolarHBondContact O-CD 3.48Å; N630-P634 WeakPolarHBondContact O-CG 3.3Å |
| 631 | L | 68.8 | Low | 60 | Low | 22 Ų | 22 | 57.4 Ų | 57.4 | 12% | 0.115 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.3 | -43.8 | 172.2 | -176.6 | 68 | 0 | 0 | 0 | 112.1 | Q627 F628 R629 E683 V684 H687 F688 | Q627-L631 PolarHBondContact O-N 2.73Å; F628-L631 HydrophobicContact CD2-CD2 4.33Å; F628-L631 HydrophobicContact CE2-CD2 4.49Å; F628-L631 WeakPolarHBondContact O-CB 3.23Å; F628-L631 PolarHBondContact O-N 3.19Å; R629-L631 PolarHBondContact O-N 3.03Å; L631-E683 HydrophobicContact CD1-CB 4.29Å; L631-V684 HydrophobicContact CD2-CB 4.39Å; L631-V684 HydrophobicContact CD2-CG2 3.69Å; L631-H687 HydrophobicContact CD1-CB 4Å; L631-F688 HydrophobicContact CD2-CE2 4.18Å |
| 632 | I | 64.9 | Low | 59.2 | Low | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.062 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -79.5 | -36.2 | -174.3 | 66.7 | -177.7 | 0 | 0 | 0 | 113.5 | F597 F628 R629 S635 W649 | F597-I632 HydrophobicContact CZ-CD1 3.95Å; F628-I632 HydrophobicContact CD1-CD1 4.46Å; F628-I632 HydrophobicContact CD1-CG2 4.25Å; F628-I632 HydrophobicContact CD2-CG2 4.45Å; F628-I632 HydrophobicContact CE1-CD1 4.42Å; F628-I632 HydrophobicContact CE1-CG2 3.85Å; F628-I632 HydrophobicContact CE2-CG2 4.04Å; F628-I632 HydrophobicContact CZ-CG2 3.74Å; F628-I632 WeakPolarHBondContact O-CG1 3.36Å; F628-I632 WeakPolarHBondContact O-CG2 3.19Å; F628-I632 PolarHBondContact O-N 3.4Å; R629-I632 WeakPolarHBondContact O-CG1 3.5Å; R629-I632 PolarHBondContact O-N 3.43Å; I632-S635 WeakPolarHBondContact O-CB 3.49Å; I632-S635 PolarHBondContact O-N 3.27Å; I632-S635 PolarHBondContact O-OG 3.32Å; I632-W649 HydrophobicContact CG2-CD2 3.94Å; I632-W649 HydrophobicContact CG2-CG 4.15Å; I632-W649 HydrophobicContact CG2-CZ2 4.08Å |
| 633 | L | 61.3 | Low | 58.4 | Low | 101 Ų | 101 | 61.3 Ų | 61.3 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -46.1 | -174.1 | -72.6 | 178 | 0 | 0 | 0 | 113.5 | R629 S635 | R629-L633 HydrophobicContact CG-CD1 3.65Å; R629-L633 HydrophobicContact CG-CG 3.97Å; R629-L633 WeakPolarHBondContact O-CB 3.35Å; R629-L633 WeakPolarHBondContact O-CG 3.33Å; R629-L633 PolarHBondContact O-N 2.97Å; L633-S635 PolarHBondContact O-N 2.85Å |
| 634 | P | 55.3 | Low | 57.7 | Low | 107 Ų | 107 | 61.4 Ų | 61.4 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -17.8 | 179.2 | -16.8 | 32.3 | 0 | 0 | 0 | 113.1 | N630 G636 | N630-P634 WeakPolarHBondContact O-CD 3.48Å; N630-P634 WeakPolarHBondContact O-CG 3.3Å; P634-G636 PolarHBondContact O-N 2.73Å; P634-G636 VanDerWaalsContact O-N 3.09Å |
| 635 | S | 54.8 | Low | 56.9 | Low | 40 Ų | 40 | 68.6 Ų | 68.6 | 28% | 0.28 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.6 | -174 | 76.2 | 0 | 0 | 0 | 0 | 114.2 | I632 L633 K637 | I632-S635 WeakPolarHBondContact O-CB 3.49Å; I632-S635 PolarHBondContact O-N 3.27Å; I632-S635 PolarHBondContact O-OG 3.32Å; L633-S635 PolarHBondContact O-N 2.85Å; S635-K637 PolarHBondContact O-N 2.95Å; S635-K637 VanDerWaalsContact O-N 3.09Å; S635-K637 PolarHBondContact OG-N 3.02Å |
| 636 | G | 52.3 | Low | 56.1 | Low | 75 Ų | 75 | 71.3 Ų | 71.3 | 77% | 0.773 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 2.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P634 | P634-G636 PolarHBondContact O-N 2.73Å; P634-G636 VanDerWaalsContact O-N 3.09Å |
| 637 | K | 55 | Low | 55.9 | Low | 71 Ų | 71 | 74.3 Ų | 74.3 | 31% | 0.309 | 40% | 0.403 | S | S | . | . | trans | -98.8 | 108.8 | -178.6 | -63.8 | 179.6 | -177.7 | 179.3 | 0 | 109.6 | S635 I680 | S635-K637 PolarHBondContact O-N 2.95Å; S635-K637 VanDerWaalsContact O-N 3.09Å; S635-K637 PolarHBondContact OG-N 3.02Å; K637-I680 VanDerWaalsContact NZ-CD1 3.31Å | ||
| 638 | A | 46.5 | Very low | 55.7 | Low | 47 Ų | 47 | 73.8 Ų | 73.8 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 152.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R647 | A638-R647 VanDerWaalsContact CB-NH1 3.27Å; A638-R647 WeakPolarHBondContact O-CD 3.46Å |
| 639 | P | 49.7 | Very low | 55.4 | Low | 48 Ų | 48 | 74.5 Ų | 74.5 | 31% | 0.312 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 158.2 | -178.1 | 0.5 | 9.5 | 0 | 0 | 0 | 114.1 | V595 R647 | V595-P639 HydrophobicContact CB-CB 4.5Å; V595-P639 HydrophobicContact CB-CG 4.25Å; V595-P639 HydrophobicContact CG1-CB 3.63Å; V595-P639 HydrophobicContact CG1-CG 3.89Å; V595-P639 HydrophobicContact CG2-CB 4.14Å; V595-P639 HydrophobicContact CG2-CG 3.4Å; V595-P639 VanDerWaalsContact CG2-CG 3.4Å; P639-R647 WeakPolarHBondContact O-CD 3.48Å; P639-R647 PolarHBondContact O-NH1 2.92Å |
| 640 | Y | 42 | Very low | 55.5 | Low | 75 Ų | 75 | 74.1 Ų | 74.1 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 135.2 | -176.5 | -178.7 | -108.8 | 0 | 0 | 0 | 114.2 | V642 E646 W649 R650 | Y640-V642 HydrophobicContact CE1-CG2 4.33Å; Y640-E646 WeakPolarHBondContact CD2-O 3.14Å; Y640-W649 WeakPolarHBondContact CB-O 3.33Å; Y640-R650 PolarHBondContact OH-NH2 2.71Å; Y640-R650 VanDerWaalsContact OH-NH2 3.15Å |
| 641 | D | 45.8 | Very low | 55.5 | Low | 51 Ų | 51 | 75.2 Ų | 75.2 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | trans | -110.2 | 123 | 176.9 | 179.2 | -18.4 | 0 | 0 | 0 | 109 | D643 T644 K645 | D641-D643 VanDerWaalsContact C-N 3.29Å; D641-D643 PolarHBondContact O-N 2.99Å; D641-D643 PolarHBondContact OD1-N 2.85Å; D641-T644 WeakPolarHBondContact CB-OG1 3.23Å; D641-T644 PolarHBondContact OD1-N 3.23Å; D641-K645 PolarHBondContact O-N 3.39Å | ||
| 642 | V | 45.9 | Very low | 55.5 | Low | 111 Ų | 111 | 75.4 Ų | 75.4 | 67% | 0.673 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.8 | -174.8 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | Y640 | Y640-V642 HydrophobicContact CE1-CG2 4.33Š|
| 643 | D | 42.1 | Very low | 55.6 | Low | 151 Ų | 151 | 76.5 Ų | 76.5 | 81% | 0.807 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -43.1 | -172.5 | -66.8 | -33 | 0 | 0 | 0 | 111.3 | D641 | D641-D643 VanDerWaalsContact C-N 3.29Å; D641-D643 PolarHBondContact O-N 2.99Å; D641-D643 PolarHBondContact OD1-N 2.85Å |
| 644 | T | 53.2 | Low | 56 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -17.4 | -179.6 | 60.9 | 0 | 0 | 0 | 0 | 112.9 | D641 E646 | D641-T644 WeakPolarHBondContact CB-OG1 3.23Å; D641-T644 PolarHBondContact OD1-N 3.23Å; T644-E646 WeakPolarHBondContact O-CG 3.08Å; T644-E646 PolarHBondContact O-N 3.07Å; T644-E646 PolarHBondContact OG1-N 3.32Å |
| 645 | K | 49.3 | Very low | 56.6 | Low | 151 Ų | 151 | 69.3 Ų | 69.3 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | trans | 54.1 | 14.5 | -168.3 | -59.7 | 179.2 | 179.7 | 173.7 | 0 | 113.6 | D641 | D641-K645 PolarHBondContact O-N 3.39Š| ||
| 646 | E | 48.6 | Very low | 57.2 | Low | 87 Ų | 87 | 68.7 Ų | 68.7 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | trans | -92.9 | 158.3 | 179.5 | -59.3 | -156.8 | 157 | 0 | 0 | 110.9 | Y640 T644 R671 | Y640-E646 WeakPolarHBondContact CD2-O 3.14Å; T644-E646 WeakPolarHBondContact O-CG 3.08Å; T644-E646 PolarHBondContact O-N 3.07Å; T644-E646 PolarHBondContact OG1-N 3.32Å; E646-R671 IonicContact OE1-CZ 3.9Å; E646-R671 IonicContact OE1-NH1 3.93Å; E646-R671 PolarHBondContact OE1-NH1 3.06Å; E646-R671 IonicContact OE1-NH2 2.77Å; E646-R671 PolarHBondContact OE1-NH2 3.36Å; E646-R671 IonicContact OE2-CZ 2.72Å; E646-R671 IonicContact OE2-NH1 2.73Å; E646-R671 PolarHBondContact OE2-NH1 3.5Å; E646-R671 IonicContact OE2-NH2 3.74Å | ||
| 647 | R | 60.8 | Low | 57.9 | Low | 119 Ų | 119 | 66.7 Ų | 66.7 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | 101.3 | 157.3 | 172.6 | -53.8 | 168.1 | 178.2 | -172.8 | 1.9 | 117.7 | A638 P639 | A638-R647 VanDerWaalsContact CB-NH1 3.27Å; A638-R647 WeakPolarHBondContact O-CD 3.46Å; P639-R647 WeakPolarHBondContact O-CD 3.48Å; P639-R647 PolarHBondContact O-NH1 2.92Å | ||
| 648 | F | 65.5 | Low | 58.3 | Low | 16 Ų | 16 | 69.4 Ų | 69.4 | 7% | 0.07 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -80.3 | -53 | -160.3 | 178.1 | -104.5 | 0 | 0 | 0 | 114.7 | R650 V667 N668 L672 I680 Y703 | F648-R650 PolarHBondContact O-N 3.16Å; F648-V667 HydrophobicContact CD1-CB 4.46Å; F648-V667 HydrophobicContact CD1-CG1 4.22Å; F648-V667 HydrophobicContact CD2-CB 4.12Å; F648-V667 HydrophobicContact CE1-CB 4.18Å; F648-V667 HydrophobicContact CE1-CG1 3.72Å; F648-V667 HydrophobicContact CE2-CB 3.84Å; F648-V667 HydrophobicContact CE2-CG1 4.25Å; F648-V667 HydrophobicContact CE2-CG2 3.84Å; F648-V667 HydrophobicContact CG-CB 4.44Å; F648-V667 HydrophobicContact CZ-CB 3.88Å; F648-V667 HydrophobicContact CZ-CG1 3.76Å; F648-V667 HydrophobicContact CZ-CG2 3.96Å; F648-V667 CarbonylContact O-C 3.51Å; F648-V667 WeakPolarHBondContact O-CA 3.31Å; F648-V667 VanDerWaalsContact O-CB 3.23Å; F648-V667 WeakPolarHBondContact O-CB 3.11Å; F648-N668 WeakPolarHBondContact CD2-O 3.27Å; F648-N668 PolarHBondContact O-N 3.08Å; F648-L672 HydrophobicContact CD2-CD1 3.31Å; F648-L672 HydrophobicContact CD2-CG 4.42Å; F648-L672 HydrophobicContact CE2-CD1 3.4Å; F648-L672 HydrophobicContact CG-CD1 3.95Å; F648-L672 HydrophobicContact CZ-CD1 4.09Å; F648-I680 HydrophobicContact CD1-CD1 4.34Å; F648-I680 HydrophobicContact CE1-CD1 3.61Å; F648-I680 HydrophobicContact CE1-CG2 3.84Å; F648-I680 HydrophobicContact CE2-CD1 4.14Å; F648-I680 HydrophobicContact CZ-CB 4.49Å; F648-I680 HydrophobicContact CZ-CD1 3.47Å; F648-I680 VanDerWaalsContact CZ-CD1 3.47Å; F648-I680 HydrophobicContact CZ-CG2 3.97Å; F648-Y703 HydrophobicContact CZ-CE2 4.49Å |
| 649 | W | 68.3 | Low | 59.2 | Low | 21 Ų | 21 | 70 Ų | 70 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 114.6 | -176.7 | -59.9 | 110.7 | 0 | 0 | 0 | 111.5 | F628 I632 Y640 I665 V667 I680 V684 | F628-W649 AromaticContact CE2-CE3 3.99Å; F628-W649 HydrophobicContact CE2-CE3 3.99Å; F628-W649 HydrophobicContact CE2-CH2 4.38Å; F628-W649 AromaticContact CE2-CZ3 3.81Å; F628-W649 HydrophobicContact CE2-CZ3 3.81Å; F628-W649 HydrophobicContact CZ-CD2 4.12Å; F628-W649 AromaticContact CZ-CE3 3.59Å; F628-W649 HydrophobicContact CZ-CE3 3.59Å; F628-W649 AromaticContact CZ-CZ3 3.92Å; F628-W649 HydrophobicContact CZ-CZ3 3.92Å; I632-W649 HydrophobicContact CG2-CD2 3.94Å; I632-W649 HydrophobicContact CG2-CG 4.15Å; I632-W649 HydrophobicContact CG2-CZ2 4.08Å; Y640-W649 WeakPolarHBondContact CB-O 3.33Å; W649-I665 HydrophobicContact CE3-CG2 3.86Å; W649-I665 HydrophobicContact CZ3-CG2 3.49Å; W649-I665 VanDerWaalsContact CZ3-CG2 3.49Å; W649-V667 HydrophobicContact CE3-CG1 3.72Å; W649-V667 HydrophobicContact CZ3-CG1 4.05Å; W649-I680 HydrophobicContact CH2-CG2 3.59Å; W649-I680 HydrophobicContact CZ2-CG2 3.99Å; W649-I680 HydrophobicContact CZ3-CG2 4.45Å; W649-V684 HydrophobicContact CH2-CG2 4.05Å; W649-V684 HydrophobicContact CZ3-CG2 4.46Å |
| 650 | R | 67 | Low | 60.1 | Low | 97 Ų | 97 | 69 Ų | 69 | 37% | 0.366 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -49.8 | -178.3 | -82.7 | -153.4 | 153.1 | -159.5 | -2.7 | 114.4 | Y640 F648 R666 N668 L706 | Y640-R650 PolarHBondContact OH-NH2 2.71Å; Y640-R650 VanDerWaalsContact OH-NH2 3.15Å; F648-R650 PolarHBondContact O-N 3.16Å; R650-R666 WeakPolarHBondContact CA-O 3.39Å; R650-R666 HydrophobicContact CB-CB 4.45Å; R650-R666 WeakPolarHBondContact CB-O 3.23Å; R650-R666 PolarHBondContact N-O 3.46Å; R650-N668 HydrophobicContact CG-CB 4.37Å; R650-L706 HydrophobicContact CB-CD1 4.27Å |
| 651 | M | 67.9 | Low | 61.7 | Low | 104 Ų | 104 | 65.6 Ų | 65.6 | 51% | 0.512 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 135.4 | -172.4 | -168.4 | 178.2 | -70.5 | 0 | 0 | 111.7 | R666 | M651-R666 HydrophobicContact CB-CB 4.03Å; M651-R666 HydrophobicContact CB-CG 4.2Å; M651-R666 PolarHBondContact N-O 2.68Å; M651-R666 VanDerWaalsContact N-O 3.12Å; M651-R666 PolarHBondContact O-N 3.1Å; M651-R666 PolarHBondContact SD-NH1 3.04Å |
| 652 | L | 69.2 | Low | 63 | Low | 27 Ų | 27 | 63.2 Ų | 63.2 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.7 | 164.6 | -177.4 | 70.5 | 0 | 0 | 0 | 108.6 | V625 F628 V654 I663 I665 | V625-L652 HydrophobicContact CG2-CD2 4.26Å; F628-L652 HydrophobicContact CB-CD2 3.71Å; F628-L652 HydrophobicContact CD1-CB 4.15Å; F628-L652 HydrophobicContact CD1-CD1 4.46Å; F628-L652 HydrophobicContact CD1-CD2 3.81Å; F628-L652 HydrophobicContact CD1-CG 4.37Å; F628-L652 HydrophobicContact CD2-CD1 4.07Å; F628-L652 HydrophobicContact CE1-CB 4.13Å; F628-L652 HydrophobicContact CE2-CD1 4.35Å; F628-L652 HydrophobicContact CG-CD1 4.13Å; F628-L652 HydrophobicContact CG-CD2 3.75Å; F628-L652 HydrophobicContact CG-CG 4.39Å; L652-V654 HydrophobicContact CD2-CG2 4.01Å; L652-V654 HydrophobicContact CG-CG2 4.06Å; L652-I663 HydrophobicContact CD1-CG2 3.65Å; L652-I665 HydrophobicContact CD1-CG1 3.91Å |
| 653 | T | 68.1 | Low | 64.6 | Low | 34 Ų | 34 | 58 Ų | 58 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.5 | 168.9 | -67.5 | 0 | 0 | 0 | 0 | 109.1 | R655 I663 V664 R666 | T653-R655 HydrophobicContact CG2-CG 4.26Å; T653-I663 CarbonylContact O-C 3.57Å; T653-V664 PolarHBondContact N-O 2.71Å; T653-V664 PolarHBondContact O-N 3.47Å; T653-R666 PolarHBondContact OG1-NH1 2.71Å |
| 654 | V | 68.3 | Low | 66.2 | Low | 25 Ų | 25 | 50.8 Ų | 50.8 | 15% | 0.152 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.3 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 107.4 | V624 L652 I661 L662 | V624-V654 HydrophobicContact CB-CG1 4.35Å; V624-V654 HydrophobicContact CB-CG2 4.17Å; V624-V654 HydrophobicContact CG1-CB 4.5Å; V624-V654 HydrophobicContact CG1-CG1 4.16Å; V624-V654 HydrophobicContact CG1-CG2 3.49Å; V624-V654 VanDerWaalsContact CG1-CG2 3.49Å; V624-V654 HydrophobicContact CG2-CG1 4.35Å; L652-V654 HydrophobicContact CD2-CG2 4.01Å; L652-V654 HydrophobicContact CG-CG2 4.06Å; V654-I661 HydrophobicContact CG1-CG2 3.97Å; V654-L662 CarbonylContact C-O 3.41Å; V654-L662 WeakPolarHBondContact CA-O 3.43Å |
| 655 | R | 67.6 | Low | 67.5 | Low | 32 Ų | 32 | 47.3 Ų | 47.3 | 12% | 0.121 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 118.4 | 170.3 | -57.2 | -172.2 | -166.2 | 164.3 | 16.8 | 107.6 | T653 Y657 L662 L736 V738 F739 | T653-R655 HydrophobicContact CG2-CG 4.26Å; R655-Y657 HydrophobicContact CB-CD2 4.42Å; R655-Y657 HydrophobicContact CB-CE2 3.59Å; R655-Y657 WeakPolarHBondContact CD-OH 3.22Å; R655-L662 HydrophobicContact CB-CB 4.15Å; R655-L662 PolarHBondContact N-O 3.05Å; R655-L662 PolarHBondContact O-N 3.36Å; R655-L736 PolarHBondContact NH1-O 3.47Å; R655-L736 PolarHBondContact NH2-O 3.13Å; R655-L736 VanDerWaalsContact NH2-O 3.1Å; R655-V738 PolarHBondContact NH1-O 3.48Å; R655-F739 VanDerWaalsContact CZ-CD1 3.48Å |
| 656 | C | 67.3 | Low | 68.8 | Low | 27 Ų | 27 | 42 Ų | 42 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.2 | 175.9 | -58 | 0 | 0 | 0 | 0 | 108 | I617 | I617-C656 HydrophobicContact CG2-CB 4.09Å |
| 657 | Y | 69 | Low | 70.2 | Confident | 33 Ų | 33 | 37.8 Ų | 37.8 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | trans | -111 | 166.1 | 170.4 | -60.4 | -77.2 | 0 | 0 | 0 | 108.1 | R655 E659 D660 L662 A723 Y724 E725 I734 F740 | R655-Y657 HydrophobicContact CB-CD2 4.42Å; R655-Y657 HydrophobicContact CB-CE2 3.59Å; R655-Y657 WeakPolarHBondContact CD-OH 3.22Å; Y657-E659 VanDerWaalsContact C-N 3.27Å; Y657-E659 PolarHBondContact O-N 3.48Å; Y657-D660 WeakPolarHBondContact CA-O 3.42Å; Y657-D660 VanDerWaalsContact CB-O 3.22Å; Y657-D660 WeakPolarHBondContact CB-O 3.37Å; Y657-D660 WeakPolarHBondContact CD2-O 3.49Å; Y657-D660 PolarHBondContact N-O 3.05Å; Y657-L662 HydrophobicContact CD2-CD1 4.12Å; Y657-L662 HydrophobicContact CE2-CB 4.34Å; Y657-L662 HydrophobicContact CE2-CD1 3.46Å; Y657-L662 VanDerWaalsContact CE2-CD1 3.46Å; Y657-L662 HydrophobicContact CE2-CG 4.27Å; Y657-A723 HydrophobicContact CD2-CB 4.21Å; Y657-A723 HydrophobicContact CE2-CB 4.4Å; Y657-Y724 WeakPolarHBondContact CB-O 3.43Å; Y657-E725 WeakPolarHBondContact CA-OE2 3.46Å; Y657-E725 WeakPolarHBondContact CB-OE2 3.19Å; Y657-E725 HydrophobicContact CD1-CB 4.08Å; Y657-E725 HydrophobicContact CD1-CG 4.44Å; Y657-E725 WeakPolarHBondContact CD1-OE2 3.33Å; Y657-I734 HydrophobicContact CD1-CD1 3.55Å; Y657-I734 HydrophobicContact CE1-CD1 3.34Å; Y657-I734 HydrophobicContact CG-CD1 4.19Å; Y657-F740 HydrophobicContact CE1-CD2 4.39Å | ||
| 658 | E | 62.4 | Low | 70.8 | Confident | 129 Ų | 129 | 33.3 Ų | 33.3 | 60% | 0.603 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -58.9 | -40.1 | -179.4 | -169 | -177.7 | -177.2 | 0 | 0 | 111.7 | E725 | E658-E725 PolarHBondContact N-OE2 3.36Š|
| 659 | E | 64.5 | Low | 71.2 | Confident | 59 Ų | 59 | 33.1 Ų | 33.1 | 28% | 0.276 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -98.3 | -26.9 | -178.7 | -63.2 | -174.7 | 176 | 0 | 0 | 113.5 | Y657 P697 Y724 R731 | Y657-E659 VanDerWaalsContact C-N 3.27Å; Y657-E659 PolarHBondContact O-N 3.48Å; E659-P697 WeakPolarHBondContact O-CB 3.23Å; E659-Y724 WeakPolarHBondContact OE2-CB 2.94Å; E659-R731 IonicContact OE1-NE 2.82Å; E659-R731 IonicContact OE2-CZ 2.62Å; E659-R731 IonicContact OE2-NE 3.35Å; E659-R731 PolarHBondContact OE2-NE 2.87Å; E659-R731 IonicContact OE2-NH2 2.79Å; E659-R731 PolarHBondContact OE2-NH2 3.45Å |
| 660 | D | 70.3 | Confident | 71.2 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | trans | -139.6 | 142.3 | -164 | -75.3 | -40.1 | 0 | 0 | 0 | 113.5 | Y657 S699 A723 Y724 | Y657-D660 WeakPolarHBondContact CA-O 3.42Å; Y657-D660 VanDerWaalsContact CB-O 3.22Å; Y657-D660 WeakPolarHBondContact CB-O 3.37Å; Y657-D660 WeakPolarHBondContact CD2-O 3.49Å; Y657-D660 PolarHBondContact N-O 3.05Å; D660-S699 WeakPolarHBondContact OD1-CB 3.49Å; D660-A723 HydrophobicContact CB-CB 3.89Å; D660-A723 WeakPolarHBondContact OD2-CA 3.44Å; D660-Y724 PolarHBondContact OD2-N 3.29Å | ||
| 661 | I | 75.6 | Confident | 71.2 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.3 | 170.2 | -59 | 159.2 | 0 | 0 | 0 | 110 | V620 V654 I663 L696 P697 I698 S699 | V620-I661 HydrophobicContact CG1-CD1 3.45Å; V620-I661 VanDerWaalsContact CG1-CD1 3.45Å; V620-I661 HydrophobicContact CG1-CG1 4.19Å; V654-I661 HydrophobicContact CG1-CG2 3.97Å; I661-I663 HydrophobicContact CG2-CG1 4.4Å; I661-L696 HydrophobicContact CD1-CB 4.03Å; I661-L696 HydrophobicContact CD1-CD2 4.2Å; I661-P697 HydrophobicContact CD1-CG 4.25Å; I661-P697 HydrophobicContact CG1-CG 4.48Å; I661-P697 PolarHBondContact N-O 3.2Å; I661-I698 HydrophobicContact CB-CG1 4.27Å; I661-I698 HydrophobicContact CD1-CG1 4.41Å; I661-I698 HydrophobicContact CG2-CG1 4.34Å; I661-S699 PolarHBondContact O-N 2.84Å; I661-S699 PolarHBondContact O-OG 2.9Å |
| 662 | L | 71.9 | Confident | 71.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.3 | 178.8 | -84.4 | 167.1 | 0 | 0 | 0 | 111 | V654 R655 Y657 S700 Y702 A723 L736 | V654-L662 CarbonylContact C-O 3.41Å; V654-L662 WeakPolarHBondContact CA-O 3.43Å; R655-L662 HydrophobicContact CB-CB 4.15Å; R655-L662 PolarHBondContact N-O 3.05Å; R655-L662 PolarHBondContact O-N 3.36Å; Y657-L662 HydrophobicContact CD2-CD1 4.12Å; Y657-L662 HydrophobicContact CE2-CB 4.34Å; Y657-L662 HydrophobicContact CE2-CD1 3.46Å; Y657-L662 VanDerWaalsContact CE2-CD1 3.46Å; Y657-L662 HydrophobicContact CE2-CG 4.27Å; L662-S700 WeakPolarHBondContact CD2-OG 3.28Å; L662-Y702 HydrophobicContact CD2-CD2 4.11Å; L662-Y702 HydrophobicContact CD2-CE2 3.48Å; L662-Y702 VanDerWaalsContact CD2-CE2 3.48Å; L662-A723 HydrophobicContact CD1-CB 3.23Å; L662-A723 HydrophobicContact CD2-CB 4.37Å; L662-A723 HydrophobicContact CG-CB 3.74Å; L662-L736 HydrophobicContact CD2-CD1 4.21Å |
| 663 | I | 79.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 130.3 | 177 | -59.9 | 177.4 | 0 | 0 | 0 | 109.3 | V624 L652 T653 I661 I665 F688 I698 S700 V701 Y702 | V624-I663 HydrophobicContact CG1-CD1 3.67Å; V624-I663 HydrophobicContact CG1-CG1 4.16Å; L652-I663 HydrophobicContact CD1-CG2 3.65Å; T653-I663 CarbonylContact O-C 3.57Å; I661-I663 HydrophobicContact CG2-CG1 4.4Å; I663-I665 HydrophobicContact CG2-CG1 4.01Å; I663-F688 HydrophobicContact CD1-CB 4.41Å; I663-F688 HydrophobicContact CD1-CD1 3.5Å; I663-F688 VanDerWaalsContact CD1-CD1 3.5Å; I663-F688 HydrophobicContact CD1-CE1 3.81Å; I663-F688 HydrophobicContact CD1-CG 3.9Å; I663-F688 HydrophobicContact CD1-CZ 4.44Å; I663-I698 HydrophobicContact CD1-CD1 4.03Å; I663-I698 HydrophobicContact CD1-CG1 4.49Å; I663-I698 HydrophobicContact CD1-CG2 3.92Å; I663-I698 HydrophobicContact CG1-CG2 4.39Å; I663-S700 PolarHBondContact N-O 3.45Å; I663-V701 HydrophobicContact CB-CG1 4.33Å; I663-V701 HydrophobicContact CB-CG2 4.33Å; I663-V701 HydrophobicContact CG2-CG1 4.29Å; I663-V701 CarbonylContact O-C 3.47Å; I663-V701 WeakPolarHBondContact O-CA 3.4Å; I663-Y702 PolarHBondContact O-N 3.15Å |
| 664 | V | 77.2 | Confident | 71.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.7 | 171.8 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | T653 R666 Q704 L736 | T653-V664 PolarHBondContact N-O 2.71Å; T653-V664 PolarHBondContact O-N 3.47Å; V664-R666 HydrophobicContact CG1-CG 4.39Å; V664-Q704 HydrophobicContact CG1-CB 4.48Å; V664-L736 HydrophobicContact CG2-CD1 3.71Å; V664-L736 HydrophobicContact CG2-CD2 4.24Å; V664-L736 HydrophobicContact CG2-CG 4.37Å |
| 665 | I | 78.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.2 | 177.8 | -59.9 | -175.3 | 0 | 0 | 0 | 108 | F628 W649 L652 I663 V667 V684 F688 V701 Y702 Y703 Q704 | F628-I665 HydrophobicContact CD2-CD1 4.34Å; F628-I665 HydrophobicContact CE2-CD1 3.92Å; F628-I665 HydrophobicContact CE2-CG1 4.32Å; F628-I665 HydrophobicContact CE2-CG2 4.31Å; W649-I665 HydrophobicContact CE3-CG2 3.86Å; W649-I665 HydrophobicContact CZ3-CG2 3.49Å; W649-I665 VanDerWaalsContact CZ3-CG2 3.49Å; L652-I665 HydrophobicContact CD1-CG1 3.91Å; I663-I665 HydrophobicContact CG2-CG1 4.01Å; I665-V667 HydrophobicContact CG2-CG1 3.96Å; I665-V684 HydrophobicContact CD1-CB 4.24Å; I665-V684 HydrophobicContact CD1-CG1 3.37Å; I665-V684 HydrophobicContact CD1-CG2 3.76Å; I665-F688 HydrophobicContact CD1-CE2 4.25Å; I665-V701 HydrophobicContact CD1-CG1 4.36Å; I665-Y702 PolarHBondContact N-O 2.92Å; I665-Y703 WeakPolarHBondContact O-CA 3.04Å; I665-Q704 PolarHBondContact O-N 3.32Å |
| 666 | R | 78.4 | Confident | 72.7 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 14% | 0.143 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.6 | 176.5 | -49.3 | -168 | 172.2 | 80.6 | 12.7 | 110.3 | R650 M651 T653 V664 Q704 L706 | R650-R666 WeakPolarHBondContact CA-O 3.39Å; R650-R666 HydrophobicContact CB-CB 4.45Å; R650-R666 WeakPolarHBondContact CB-O 3.23Å; R650-R666 PolarHBondContact N-O 3.46Å; M651-R666 HydrophobicContact CB-CB 4.03Å; M651-R666 HydrophobicContact CB-CG 4.2Å; M651-R666 PolarHBondContact N-O 2.68Å; M651-R666 VanDerWaalsContact N-O 3.12Å; M651-R666 PolarHBondContact O-N 3.1Å; M651-R666 PolarHBondContact SD-NH1 3.04Å; T653-R666 PolarHBondContact OG1-NH1 2.71Å; V664-R666 HydrophobicContact CG1-CG 4.39Å; R666-Q704 CarbonylContact C-O 3.59Å; R666-Q704 VanDerWaalsContact CA-O 3.3Å; R666-Q704 WeakPolarHBondContact CA-O 3.13Å; R666-Q704 HydrophobicContact CG-CB 4.2Å; R666-L706 HydrophobicContact CB-CD1 3.77Å; R666-L706 HydrophobicContact CB-CG 4.28Å; R666-L706 HydrophobicContact CG-CD1 4.42Å |
| 667 | V | 76.3 | Confident | 73.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 162.4 | -178.5 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | F648 W649 I665 Y703 Q704 L706 | F648-V667 HydrophobicContact CD1-CB 4.46Å; F648-V667 HydrophobicContact CD1-CG1 4.22Å; F648-V667 HydrophobicContact CD2-CB 4.12Å; F648-V667 HydrophobicContact CE1-CB 4.18Å; F648-V667 HydrophobicContact CE1-CG1 3.72Å; F648-V667 HydrophobicContact CE2-CB 3.84Å; F648-V667 HydrophobicContact CE2-CG1 4.25Å; F648-V667 HydrophobicContact CE2-CG2 3.84Å; F648-V667 HydrophobicContact CG-CB 4.44Å; F648-V667 HydrophobicContact CZ-CB 3.88Å; F648-V667 HydrophobicContact CZ-CG1 3.76Å; F648-V667 HydrophobicContact CZ-CG2 3.96Å; F648-V667 CarbonylContact O-C 3.51Å; F648-V667 WeakPolarHBondContact O-CA 3.31Å; F648-V667 VanDerWaalsContact O-CB 3.23Å; F648-V667 WeakPolarHBondContact O-CB 3.11Å; W649-V667 HydrophobicContact CE3-CG1 3.72Å; W649-V667 HydrophobicContact CZ3-CG1 4.05Å; I665-V667 HydrophobicContact CG2-CG1 3.96Å; V667-Y703 HydrophobicContact CB-CE2 4.42Å; V667-Y703 HydrophobicContact CG1-CE2 4.16Å; V667-Y703 HydrophobicContact CG2-CD2 4.29Å; V667-Y703 HydrophobicContact CG2-CE1 4.13Å; V667-Y703 HydrophobicContact CG2-CE2 3.37Å; V667-Y703 WeakPolarHBondContact CG2-OH 3.37Å; V667-Q704 PolarHBondContact N-O 3.44Å; V667-L706 PolarHBondContact O-N 3.39Å |
| 668 | N | 74.9 | Confident | 73.7 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | trans | -110.5 | 104.5 | 167 | -179 | 8.2 | 0 | 0 | 0 | 109.2 | F648 R650 S670 | F648-N668 WeakPolarHBondContact CD2-O 3.27Å; F648-N668 PolarHBondContact O-N 3.08Å; R650-N668 HydrophobicContact CG-CB 4.37Å; N668-S670 VanDerWaalsContact C-N 3.27Å; N668-S670 PolarHBondContact ND2-OG 2.83Å; N668-S670 PolarHBondContact O-N 3.46Å; N668-S670 WeakPolarHBondContact OD1-CB 3.42Å; N668-S670 PolarHBondContact OD1-N 3.28Å; N668-S670 PolarHBondContact OD1-OG 3.03Å | ||
| 669 | P | 72.1 | Confident | 74.4 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | trans | -80.2 | 0.5 | -174.5 | 33.4 | -37.6 | 0 | 0 | 0 | 114.4 | R671 L672 I677 E705 V707 | P669-R671 PolarHBondContact O-N 2.72Å; P669-L672 PolarHBondContact O-N 3.47Å; P669-I677 HydrophobicContact CB-CD1 3.69Å; P669-I677 HydrophobicContact CB-CG1 4.46Å; P669-E705 HydrophobicContact CG-CB 4.11Å; P669-E705 HydrophobicContact CG-CG 3.94Å; P669-V707 HydrophobicContact CG-CG2 3.79Å | ||
| 670 | S | 70.2 | Confident | 75.1 | Confident | 84 Ų | 84 | 47 Ų | 47 | 59% | 0.587 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -7.6 | -162.1 | 62.7 | 0 | 0 | 0 | 0 | 118.3 | N668 | N668-S670 VanDerWaalsContact C-N 3.27Å; N668-S670 PolarHBondContact ND2-OG 2.83Å; N668-S670 PolarHBondContact O-N 3.46Å; N668-S670 WeakPolarHBondContact OD1-CB 3.42Å; N668-S670 PolarHBondContact OD1-N 3.28Å; N668-S670 PolarHBondContact OD1-OG 3.03Å |
| 671 | R | 66.3 | Low | 75.7 | Confident | 191 Ų | 191 | 47 Ų | 47 | 72% | 0.721 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 13.3 | 177.6 | -68.2 | -169 | -179.3 | 157.7 | 7 | 114.5 | E646 P669 | E646-R671 IonicContact OE1-CZ 3.9Å; E646-R671 IonicContact OE1-NH1 3.93Å; E646-R671 PolarHBondContact OE1-NH1 3.06Å; E646-R671 IonicContact OE1-NH2 2.77Å; E646-R671 PolarHBondContact OE1-NH2 3.36Å; E646-R671 IonicContact OE2-CZ 2.72Å; E646-R671 IonicContact OE2-NH1 2.73Å; E646-R671 PolarHBondContact OE2-NH1 3.5Å; E646-R671 IonicContact OE2-NH2 3.74Å; P669-R671 PolarHBondContact O-N 2.72Å |
| 672 | L | 69.1 | Low | 76 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | trans | -108.7 | 140.5 | 175.8 | -70.7 | 173.3 | 0 | 0 | 0 | 110.4 | F648 P669 I677 I680 | F648-L672 HydrophobicContact CD2-CD1 3.31Å; F648-L672 HydrophobicContact CD2-CG 4.42Å; F648-L672 HydrophobicContact CE2-CD1 3.4Å; F648-L672 HydrophobicContact CG-CD1 3.95Å; F648-L672 HydrophobicContact CZ-CD1 4.09Å; P669-L672 PolarHBondContact O-N 3.47Å; L672-I677 HydrophobicContact CB-CD1 4.3Å; L672-I677 HydrophobicContact CB-CG1 3.89Å; L672-I680 HydrophobicContact CD1-CD1 3.72Å | ||
| 673 | D | 74.9 | Confident | 76.5 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | trans | -69.8 | 161.3 | 168.7 | 61.4 | 36.2 | 0 | 0 | 0 | 111.5 | T675 S676 I677 | D673-T675 PolarHBondContact O-N 3.31Å; D673-T675 PolarHBondContact OD1-N 2.97Å; D673-S676 PolarHBondContact O-N 3.5Å; D673-S676 WeakPolarHBondContact OD1-CB 3.5Å; D673-S676 PolarHBondContact OD1-N 3Å; D673-S676 PolarHBondContact OD1-OG 2.94Å; D673-I677 WeakPolarHBondContact O-CG1 3.39Å; D673-I677 PolarHBondContact O-N 3.17Å; D673-I677 VanDerWaalsContact O-N 3.08Å | ||
| 674 | S | 76.5 | Confident | 76.7 | Confident | 102 Ų | 102 | 55.5 Ų | 55.5 | 71% | 0.713 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -56.3 | -35.4 | -178.9 | -33.6 | 0 | 0 | 0 | 0 | 112.3 | I677 A678 | S674-I677 PolarHBondContact O-N 3.4Å; S674-A678 WeakPolarHBondContact O-CB 3.35Å; S674-A678 PolarHBondContact O-N 2.84Å |
| 675 | T | 76.9 | Confident | 76.9 | Confident | 112 Ų | 112 | 56 Ų | 56 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | -179.6 | -45.9 | 0 | 0 | 0 | 0 | 111.5 | D673 A678 K679 | D673-T675 PolarHBondContact O-N 3.31Å; D673-T675 PolarHBondContact OD1-N 2.97Å; T675-A678 PolarHBondContact O-N 2.89Å; T675-K679 PolarHBondContact O-N 2.87Å |
| 676 | S | 74.1 | Confident | 76.9 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 177 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | D673 K679 I680 | D673-S676 PolarHBondContact O-N 3.5Å; D673-S676 WeakPolarHBondContact OD1-CB 3.5Å; D673-S676 PolarHBondContact OD1-N 3Å; D673-S676 PolarHBondContact OD1-OG 2.94Å; S676-K679 PolarHBondContact O-N 2.8Å; S676-I680 WeakPolarHBondContact O-CD1 3.3Å; S676-I680 VanDerWaalsContact O-CG1 3.23Å; S676-I680 WeakPolarHBondContact O-CG1 3.37Å; S676-I680 PolarHBondContact O-N 2.59Å; S676-I680 VanDerWaalsContact O-N 3.09Å |
| 677 | I | 77.9 | Confident | 77 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 175.1 | -67.8 | 168.3 | 0 | 0 | 0 | 110.1 | P669 L672 D673 S674 K679 I680 K681 Y703 | P669-I677 HydrophobicContact CB-CD1 3.69Å; P669-I677 HydrophobicContact CB-CG1 4.46Å; L672-I677 HydrophobicContact CB-CD1 4.3Å; L672-I677 HydrophobicContact CB-CG1 3.89Å; D673-I677 WeakPolarHBondContact O-CG1 3.39Å; D673-I677 PolarHBondContact O-N 3.17Å; D673-I677 VanDerWaalsContact O-N 3.08Å; S674-I677 PolarHBondContact O-N 3.4Å; I677-K679 VanDerWaalsContact C-N 3.32Å; I677-K679 PolarHBondContact O-N 2.88Å; I677-I680 PolarHBondContact O-N 2.82Å; I677-K681 HydrophobicContact CG2-CD 4.05Å; I677-K681 HydrophobicContact CG2-CG 4.43Å; I677-K681 WeakPolarHBondContact O-CG 3.48Å; I677-K681 PolarHBondContact O-N 2.85Å; I677-Y703 HydrophobicContact CG2-CE1 4.49Å; I677-Y703 WeakPolarHBondContact CG2-OH 3.31Å |
| 678 | A | 79 | Confident | 77.1 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S674 T675 K681 N682 | S674-A678 WeakPolarHBondContact O-CB 3.35Å; S674-A678 PolarHBondContact O-N 2.84Å; T675-A678 PolarHBondContact O-N 2.89Å; A678-K681 PolarHBondContact O-N 2.76Å; A678-N682 PolarHBondContact O-N 3.15Å |
| 679 | K | 78.2 | Confident | 77 | Confident | 135 Ų | 135 | 60.9 Ų | 60.9 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 176.2 | -170.6 | -179.5 | 178.4 | -174.3 | 0 | 112.1 | T675 S676 I677 K681 N682 E683 | T675-K679 PolarHBondContact O-N 2.87Å; S676-K679 PolarHBondContact O-N 2.8Å; I677-K679 VanDerWaalsContact C-N 3.32Å; I677-K679 PolarHBondContact O-N 2.88Å; K679-K681 PolarHBondContact O-N 3.03Å; K679-N682 PolarHBondContact O-N 2.86Å; K679-E683 VanDerWaalsContact CE-OE1 3.3Å; K679-E683 WeakPolarHBondContact CE-OE1 3.46Å; K679-E683 WeakPolarHBondContact O-CG 3.44Å; K679-E683 PolarHBondContact O-N 3.44Å |
| 680 | I | 79 | Confident | 76.8 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.3 | -66.6 | 163.6 | 0 | 0 | 0 | 111.1 | K637 F648 W649 L672 S676 I677 N682 E683 V684 | K637-I680 VanDerWaalsContact NZ-CD1 3.31Å; F648-I680 HydrophobicContact CD1-CD1 4.34Å; F648-I680 HydrophobicContact CE1-CD1 3.61Å; F648-I680 HydrophobicContact CE1-CG2 3.84Å; F648-I680 HydrophobicContact CE2-CD1 4.14Å; F648-I680 HydrophobicContact CZ-CB 4.49Å; F648-I680 HydrophobicContact CZ-CD1 3.47Å; F648-I680 VanDerWaalsContact CZ-CD1 3.47Å; F648-I680 HydrophobicContact CZ-CG2 3.97Å; W649-I680 HydrophobicContact CH2-CG2 3.59Å; W649-I680 HydrophobicContact CZ2-CG2 3.99Å; W649-I680 HydrophobicContact CZ3-CG2 4.45Å; L672-I680 HydrophobicContact CD1-CD1 3.72Å; S676-I680 WeakPolarHBondContact O-CD1 3.3Å; S676-I680 VanDerWaalsContact O-CG1 3.23Å; S676-I680 WeakPolarHBondContact O-CG1 3.37Å; S676-I680 PolarHBondContact O-N 2.59Å; S676-I680 VanDerWaalsContact O-N 3.09Å; I677-I680 PolarHBondContact O-N 2.82Å; I680-N682 VanDerWaalsContact C-N 3.3Å; I680-N682 PolarHBondContact O-N 2.85Å; I680-E683 PolarHBondContact O-N 2.84Å; I680-V684 HydrophobicContact CG2-CG2 4.35Å; I680-V684 WeakPolarHBondContact O-CB 3.43Å; I680-V684 VanDerWaalsContact O-CG2 3.3Å; I680-V684 WeakPolarHBondContact O-CG2 3.25Å; I680-V684 PolarHBondContact O-N 2.86Å |
| 681 | K | 83.6 | Confident | 76.1 | Confident | 28 Ų | 28 | 69.2 Ų | 69.2 | 12% | 0.122 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 176.9 | -73.1 | 175.9 | 174.1 | -177.7 | 0 | 111.3 | I677 A678 K679 V684 V685 Y703 E715 L717 | I677-K681 HydrophobicContact CG2-CD 4.05Å; I677-K681 HydrophobicContact CG2-CG 4.43Å; I677-K681 WeakPolarHBondContact O-CG 3.48Å; I677-K681 PolarHBondContact O-N 2.85Å; A678-K681 PolarHBondContact O-N 2.76Å; K679-K681 PolarHBondContact O-N 3.03Å; K681-V684 WeakPolarHBondContact O-CB 3.25Å; K681-V684 PolarHBondContact O-N 2.88Å; K681-V685 WeakPolarHBondContact O-CG2 3.39Å; K681-V685 PolarHBondContact O-N 2.83Å; K681-Y703 HydrophobicContact CG-CD2 4.04Å; K681-Y703 HydrophobicContact CG-CE2 4.11Å; K681-Y703 HydrophobicContact CG-CG 4.34Å; K681-E715 IonicContact NZ-OE1 2.73Å; K681-E715 PolarHBondContact NZ-OE1 3.1Å; K681-E715 IonicContact NZ-OE2 3.26Å; K681-E715 PolarHBondContact NZ-OE2 3.19Å; K681-L717 HydrophobicContact CB-CD1 4.18Å; K681-L717 HydrophobicContact CB-CD2 3.85Å; K681-L717 HydrophobicContact CD-CD2 3.7Å; K681-L717 HydrophobicContact CG-CD1 4.18Å; K681-L717 HydrophobicContact CG-CD2 3.62Å |
| 682 | N | 82.2 | Confident | 75.3 | Confident | 103 Ų | 103 | 67.5 Ų | 67.5 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.3 | -41.6 | 175.7 | -75.5 | -16.4 | 0 | 0 | 0 | 112.5 | A678 K679 I680 V685 N686 | A678-N682 PolarHBondContact O-N 3.15Å; K679-N682 PolarHBondContact O-N 2.86Å; I680-N682 VanDerWaalsContact C-N 3.3Å; I680-N682 PolarHBondContact O-N 2.85Å; N682-V685 PolarHBondContact O-N 3.28Å; N682-N686 VanDerWaalsContact O-CB 3.32Å; N682-N686 WeakPolarHBondContact O-CB 3.47Å; N682-N686 PolarHBondContact O-N 3.3Å; N682-N686 PolarHBondContact O-ND2 2.86Å |
| 683 | E | 81.7 | Confident | 74.3 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.6 | -76.7 | 173.5 | -175.9 | 0 | 0 | 111.8 | L631 K679 I680 N686 H687 | L631-E683 HydrophobicContact CD1-CB 4.29Å; K679-E683 VanDerWaalsContact CE-OE1 3.3Å; K679-E683 WeakPolarHBondContact CE-OE1 3.46Å; K679-E683 WeakPolarHBondContact O-CG 3.44Å; K679-E683 PolarHBondContact O-N 3.44Å; I680-E683 PolarHBondContact O-N 2.84Å; E683-N686 PolarHBondContact O-N 3.22Å; E683-H687 WeakPolarHBondContact O-CB 3.42Å; E683-H687 PolarHBondContact O-N 2.98Å |
| 684 | V | 82.9 | Confident | 72.9 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 174.6 | 163.1 | 0 | 0 | 0 | 0 | 111.1 | L631 W649 I665 I680 K681 H687 F688 V701 L717 | L631-V684 HydrophobicContact CD2-CB 4.39Å; L631-V684 HydrophobicContact CD2-CG2 3.69Å; W649-V684 HydrophobicContact CH2-CG2 4.05Å; W649-V684 HydrophobicContact CZ3-CG2 4.46Å; I665-V684 HydrophobicContact CD1-CB 4.24Å; I665-V684 HydrophobicContact CD1-CG1 3.37Å; I665-V684 HydrophobicContact CD1-CG2 3.76Å; I680-V684 HydrophobicContact CG2-CG2 4.35Å; I680-V684 WeakPolarHBondContact O-CB 3.43Å; I680-V684 VanDerWaalsContact O-CG2 3.3Å; I680-V684 WeakPolarHBondContact O-CG2 3.25Å; I680-V684 PolarHBondContact O-N 2.86Å; K681-V684 WeakPolarHBondContact O-CB 3.25Å; K681-V684 PolarHBondContact O-N 2.88Å; V684-H687 PolarHBondContact O-N 2.89Å; V684-F688 HydrophobicContact CG1-CD2 4.12Å; V684-F688 WeakPolarHBondContact O-CD2 3.43Å; V684-F688 PolarHBondContact O-N 2.73Å; V684-V701 HydrophobicContact CG1-CG1 3.58Å; V684-L717 HydrophobicContact CB-CD1 4.21Å; V684-L717 HydrophobicContact CG1-CD1 3.76Å |
| 685 | V | 80.8 | Confident | 72.1 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | -179.2 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | K681 N682 H687 F688 L689 Y690 L717 | K681-V685 WeakPolarHBondContact O-CG2 3.39Å; K681-V685 PolarHBondContact O-N 2.83Å; N682-V685 PolarHBondContact O-N 3.28Å; V685-H687 VanDerWaalsContact C-N 3.27Å; V685-H687 PolarHBondContact O-N 3.42Å; V685-F688 PolarHBondContact O-N 3.32Å; V685-L689 HydrophobicContact CG1-CD1 4.28Å; V685-L689 WeakPolarHBondContact O-CB 3.48Å; V685-L689 PolarHBondContact O-N 3.37Å; V685-Y690 HydrophobicContact CG1-CD2 3.88Å; V685-Y690 HydrophobicContact CG1-CE2 3.52Å; V685-L717 HydrophobicContact CG2-CB 3.39Å; V685-L717 HydrophobicContact CG2-CD1 4.34Å; V685-L717 HydrophobicContact CG2-CG 4.49Å; V685-L717 WeakPolarHBondContact CG2-O 3.48Å |
| 686 | N | 79 | Confident | 71.5 | Confident | 87 Ų | 87 | 67 Ų | 67 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -59.7 | -39.7 | 177.9 | -71.1 | -18.4 | 0 | 0 | 0 | 112.1 | N682 E683 Y690 Q691 | N682-N686 VanDerWaalsContact O-CB 3.32Å; N682-N686 WeakPolarHBondContact O-CB 3.47Å; N682-N686 PolarHBondContact O-N 3.3Å; N682-N686 PolarHBondContact O-ND2 2.86Å; E683-N686 PolarHBondContact O-N 3.22Å; N686-Y690 PolarHBondContact O-N 3.21Å; N686-Y690 WeakPolarHBondContact OD1-CD2 3.39Å; N686-Q691 PolarHBondContact O-N 2.75Å |
| 687 | H | 80.5 | Confident | 71.2 | Confident | 24 Ų | 24 | 68.5 Ų | 68.5 | 11% | 0.111 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -69.8 | -42 | -179 | -164.8 | 76.1 | 0 | 0 | 0 | 112.7 | Q627 L631 E683 V684 V685 M693 | Q627-H687 PolarHBondContact O-NE2 2.95Å; L631-H687 HydrophobicContact CD1-CB 4Å; E683-H687 WeakPolarHBondContact O-CB 3.42Å; E683-H687 PolarHBondContact O-N 2.98Å; V684-H687 PolarHBondContact O-N 2.89Å; V685-H687 VanDerWaalsContact C-N 3.27Å; V685-H687 PolarHBondContact O-N 3.42Å; H687-M693 WeakPolarHBondContact O-CE 3.42Å |
| 688 | F | 79.1 | Confident | 71 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -95 | -26.8 | -173.7 | -74.4 | -67.5 | 0 | 0 | 0 | 115.5 | V624 Q627 F628 L631 I663 I665 V684 V685 M693 I698 V701 | V624-F688 HydrophobicContact CG1-CE1 4.01Å; Q627-F688 HydrophobicContact CB-CE1 3.95Å; F628-F688 HydrophobicContact CB-CZ 3.97Å; F628-F688 HydrophobicContact CD2-CE2 4.15Å; F628-F688 HydrophobicContact CD2-CZ 4.09Å; L631-F688 HydrophobicContact CD2-CE2 4.18Å; I663-F688 HydrophobicContact CD1-CB 4.41Å; I663-F688 HydrophobicContact CD1-CD1 3.5Å; I663-F688 VanDerWaalsContact CD1-CD1 3.5Å; I663-F688 HydrophobicContact CD1-CE1 3.81Å; I663-F688 HydrophobicContact CD1-CG 3.9Å; I663-F688 HydrophobicContact CD1-CZ 4.44Å; I665-F688 HydrophobicContact CD1-CE2 4.25Å; V684-F688 HydrophobicContact CG1-CD2 4.12Å; V684-F688 WeakPolarHBondContact O-CD2 3.43Å; V684-F688 PolarHBondContact O-N 2.73Å; V685-F688 PolarHBondContact O-N 3.32Å; F688-M693 HydrophobicContact CD1-CE 4.32Å; F688-M693 VanDerWaalsContact O-CE 3.26Å; F688-M693 WeakPolarHBondContact O-CE 3.33Å; F688-I698 HydrophobicContact CD1-CD1 4.09Å; F688-V701 HydrophobicContact CB-CG2 3.82Å |
| 689 | L | 73.1 | Confident | 70.7 | Confident | 48 Ų | 48 | 67 Ų | 67 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -113 | -23.6 | -173.7 | -65.8 | 174.2 | 0 | 0 | 0 | 114.2 | V685 I698 V701 | V685-L689 HydrophobicContact CG1-CD1 4.28Å; V685-L689 WeakPolarHBondContact O-CB 3.48Å; V685-L689 PolarHBondContact O-N 3.37Å; L689-I698 HydrophobicContact CD2-CB 4.37Å; L689-I698 HydrophobicContact CD2-CG2 3.91Å; L689-I698 VanDerWaalsContact CD2-O 3.31Å; L689-I698 WeakPolarHBondContact CD2-O 3.24Å; L689-V701 HydrophobicContact CD1-CG2 4.15Å; L689-V701 HydrophobicContact CD2-CG2 4.25Å; L689-V701 HydrophobicContact CG-CG2 3.99Å |
| 690 | Y | 67.1 | Low | 70.8 | Confident | 170 Ų | 170 | 60.6 Ų | 60.6 | 67% | 0.667 | 31% | 0.309 | S | S | * | . | I | π-helix | trans | -115.2 | -10.7 | -172.8 | -66.4 | -63.5 | 0 | 0 | 0 | 115.4 | V685 N686 | V685-Y690 HydrophobicContact CG1-CD2 3.88Å; V685-Y690 HydrophobicContact CG1-CE2 3.52Å; N686-Y690 PolarHBondContact O-N 3.21Å; N686-Y690 WeakPolarHBondContact OD1-CD2 3.39Å |
| 691 | Q | 57 | Low | 71 | Confident | 102 Ų | 102 | 60.2 Ų | 60.2 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -66.7 | 144.6 | 163.6 | -72 | -161.6 | -24 | 0 | 0 | 108.6 | N686 M693 | N686-Q691 PolarHBondContact O-N 2.75Å; Q691-M693 HydrophobicContact CB-CG 4.09Å; Q691-M693 PolarHBondContact O-N 2.84Å |
| 692 | D | 48.7 | Very low | 70.9 | Confident | 156 Ų | 156 | 59.3 Ų | 59.3 | 83% | 0.834 | 30% | 0.303 | S | S | * | . | trans | -61.7 | 54.6 | 173.6 | -92.8 | -33.8 | 0 | 0 | 0 | 111.5 | M694 | D692-M694 PolarHBondContact O-N 3.01Š| ||
| 693 | M | 48.9 | Very low | 71 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 14% | 0.143 | 28% | 0.277 | C | S | . | . | trans | -79.6 | 60.8 | 170.8 | -65.6 | -150.9 | -79 | 0 | 0 | 107.4 | F623 Q627 H687 F688 Q691 T695 L696 I698 | F623-M693 HydrophobicContact CE1-SD 3.52Å; F623-M693 VanDerWaalsContact CE1-SD 3.52Å; F623-M693 HydrophobicContact CZ-SD 3.82Å; Q627-M693 HydrophobicContact CG-SD 4.32Å; H687-M693 WeakPolarHBondContact O-CE 3.42Å; F688-M693 HydrophobicContact CD1-CE 4.32Å; F688-M693 VanDerWaalsContact O-CE 3.26Å; F688-M693 WeakPolarHBondContact O-CE 3.33Å; Q691-M693 HydrophobicContact CB-CG 4.09Å; Q691-M693 PolarHBondContact O-N 2.84Å; M693-T695 PolarHBondContact O-N 2.91Å; M693-L696 PolarHBondContact O-N 2.9Å; M693-I698 HydrophobicContact CE-CD1 3.77Å | ||
| 694 | M | 45.3 | Very low | 70.9 | Confident | 173 Ų | 173 | 51.3 Ų | 51.3 | 85% | 0.852 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -1.1 | 176.2 | -85 | -74.1 | -144.5 | 0 | 0 | 113.8 | D692 | D692-M694 PolarHBondContact O-N 3.01Š|
| 695 | T | 58.8 | Low | 70.7 | Confident | 113 Ų | 113 | 54.9 Ų | 54.9 | 69% | 0.693 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -15.3 | -172.5 | 54 | 0 | 0 | 0 | 0 | 115.1 | M693 | M693-T695 PolarHBondContact O-N 2.91Š|
| 696 | L | 63.8 | Low | 70.1 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | trans | -131 | 126.9 | -174.6 | -65.7 | 178.6 | 0 | 0 | 0 | 113 | V620 F623 I661 M693 I698 | V620-L696 HydrophobicContact CB-CD2 4.31Å; V620-L696 HydrophobicContact CG1-CD1 4.36Å; V620-L696 HydrophobicContact CG1-CD2 4.02Å; V620-L696 HydrophobicContact CG2-CD2 3.59Å; F623-L696 HydrophobicContact CB-CD1 4.48Å; F623-L696 HydrophobicContact CD1-CD1 3.17Å; F623-L696 HydrophobicContact CE1-CD1 3.51Å; F623-L696 HydrophobicContact CG-CD1 4.03Å; I661-L696 HydrophobicContact CD1-CB 4.03Å; I661-L696 HydrophobicContact CD1-CD2 4.2Å; M693-L696 PolarHBondContact O-N 2.9Å; L696-I698 HydrophobicContact CB-CG1 4.34Å; L696-I698 PolarHBondContact O-N 2.92Å | ||
| 697 | P | 68.2 | Low | 69.2 | Low | 69 Ų | 69 | 56.2 Ų | 56.2 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | trans | -79.2 | 65.5 | -179.9 | 34.2 | -36.1 | 0 | 0 | 0 | 111.2 | E659 I661 S699 | E659-P697 WeakPolarHBondContact O-CB 3.23Å; I661-P697 HydrophobicContact CD1-CG 4.25Å; I661-P697 HydrophobicContact CG1-CG 4.48Å; I661-P697 PolarHBondContact N-O 3.2Å; P697-S699 PolarHBondContact O-N 3.38Å | ||
| 698 | I | 73.4 | Confident | 67.9 | Low | 20 Ų | 20 | 61.1 Ų | 61.1 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 102.9 | 173 | -58.5 | 175.1 | 0 | 0 | 0 | 108.4 | I661 I663 F688 L689 M693 L696 V701 | I661-I698 HydrophobicContact CB-CG1 4.27Å; I661-I698 HydrophobicContact CD1-CG1 4.41Å; I661-I698 HydrophobicContact CG2-CG1 4.34Å; I663-I698 HydrophobicContact CD1-CD1 4.03Å; I663-I698 HydrophobicContact CD1-CG1 4.49Å; I663-I698 HydrophobicContact CD1-CG2 3.92Å; I663-I698 HydrophobicContact CG1-CG2 4.39Å; F688-I698 HydrophobicContact CD1-CD1 4.09Å; L689-I698 HydrophobicContact CD2-CB 4.37Å; L689-I698 HydrophobicContact CD2-CG2 3.91Å; L689-I698 VanDerWaalsContact CD2-O 3.31Å; L689-I698 WeakPolarHBondContact CD2-O 3.24Å; M693-I698 HydrophobicContact CE-CD1 3.77Å; L696-I698 HydrophobicContact CB-CG1 4.34Å; L696-I698 PolarHBondContact O-N 2.92Å; I698-V701 HydrophobicContact CG2-CG2 4.07Å |
| 699 | S | 74 | Confident | 66.6 | Low | 15 Ų | 15 | 66.7 Ų | 66.7 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -34 | -173.1 | 71.6 | 0 | 0 | 0 | 0 | 112 | D660 I661 P697 G719 C720 | D660-S699 WeakPolarHBondContact OD1-CB 3.49Å; I661-S699 PolarHBondContact O-N 2.84Å; I661-S699 PolarHBondContact O-OG 2.9Å; P697-S699 PolarHBondContact O-N 3.38Å; S699-G719 CarbonylContact O-C 3.58Å; S699-G719 WeakPolarHBondContact O-CA 3.47Å; S699-C720 PolarHBondContact O-N 3.07Å |
| 700 | S | 79.3 | Confident | 65.1 | Low | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 141.9 | -172.2 | -10.2 | 0 | 0 | 0 | 0 | 113.9 | L662 I663 G718 C720 | L662-S700 WeakPolarHBondContact CD2-OG 3.28Å; I663-S700 PolarHBondContact N-O 3.45Å; S700-G718 WeakPolarHBondContact CA-O 3.23Å; S700-C720 WeakPolarHBondContact CB-O 3.49Å; S700-C720 PolarHBondContact OG-O 3.48Å |
| 701 | V | 83.1 | Confident | 64 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.5 | 176 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | I663 I665 V684 F688 L689 I698 L717 G718 | I663-V701 HydrophobicContact CB-CG1 4.33Å; I663-V701 HydrophobicContact CB-CG2 4.33Å; I663-V701 HydrophobicContact CG2-CG1 4.29Å; I663-V701 CarbonylContact O-C 3.47Å; I663-V701 WeakPolarHBondContact O-CA 3.4Å; I665-V701 HydrophobicContact CD1-CG1 4.36Å; V684-V701 HydrophobicContact CG1-CG1 3.58Å; F688-V701 HydrophobicContact CB-CG2 3.82Å; L689-V701 HydrophobicContact CD1-CG2 4.15Å; L689-V701 HydrophobicContact CD2-CG2 4.25Å; L689-V701 HydrophobicContact CG-CG2 3.99Å; I698-V701 HydrophobicContact CG2-CG2 4.07Å; V701-L717 WeakPolarHBondContact O-CB 3.45Å; V701-L717 PolarHBondContact O-N 3.22Å; V701-G718 PolarHBondContact N-O 3.15Å; V701-G718 PolarHBondContact O-N 3.15Å |
| 702 | Y | 83.1 | Confident | 63.9 | Low | 9 Ų | 9 | 65.7 Ų | 65.7 | 4% | 0.035 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 146 | -179 | -68.6 | -92.5 | 0 | 0 | 0 | 111.7 | L662 I663 I665 H714 E715 L716 L721 L736 | L662-Y702 HydrophobicContact CD2-CD2 4.11Å; L662-Y702 HydrophobicContact CD2-CE2 3.48Å; L662-Y702 VanDerWaalsContact CD2-CE2 3.48Å; I663-Y702 PolarHBondContact O-N 3.15Å; I665-Y702 PolarHBondContact N-O 2.92Å; Y702-H714 HydrophobicContact CD1-CB 4.18Å; Y702-E715 CarbonylContact C-O 3.56Å; Y702-E715 WeakPolarHBondContact CA-O 3.47Å; Y702-L716 HydrophobicContact CD1-CB 4.11Å; Y702-L716 HydrophobicContact CD1-CD1 4.1Å; Y702-L716 HydrophobicContact CD2-CD1 4.36Å; Y702-L716 HydrophobicContact CE1-CB 3.87Å; Y702-L716 HydrophobicContact CE1-CD1 3.71Å; Y702-L716 HydrophobicContact CE1-CG 4.37Å; Y702-L716 HydrophobicContact CE2-CD1 3.96Å; Y702-L716 HydrophobicContact CG-CD1 4.44Å; Y702-L721 WeakPolarHBondContact OH-CA 3.39Å; Y702-L721 PolarHBondContact OH-O 2.88Å; Y702-L736 HydrophobicContact CD1-CD2 3.61Å; Y702-L736 HydrophobicContact CD2-CD1 3.7Å; Y702-L736 HydrophobicContact CD2-CD2 3.88Å; Y702-L736 HydrophobicContact CD2-CG 4.38Å; Y702-L736 HydrophobicContact CE1-CD2 3.88Å; Y702-L736 HydrophobicContact CE2-CD1 3.7Å; Y702-L736 HydrophobicContact CE2-CD2 4.14Å; Y702-L736 HydrophobicContact CE2-CG 4.35Å; Y702-L736 HydrophobicContact CG-CD1 4.28Å; Y702-L736 HydrophobicContact CG-CD2 3.58Å |
| 703 | Y | 82.6 | Confident | 64.5 | Low | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.7 | 173.5 | -178.3 | -94.7 | 0 | 0 | 0 | 110.1 | F648 I665 V667 I677 K681 E705 E715 L717 | F648-Y703 HydrophobicContact CZ-CE2 4.49Å; I665-Y703 WeakPolarHBondContact O-CA 3.04Å; V667-Y703 HydrophobicContact CB-CE2 4.42Å; V667-Y703 HydrophobicContact CG1-CE2 4.16Å; V667-Y703 HydrophobicContact CG2-CD2 4.29Å; V667-Y703 HydrophobicContact CG2-CE1 4.13Å; V667-Y703 HydrophobicContact CG2-CE2 3.37Å; V667-Y703 WeakPolarHBondContact CG2-OH 3.37Å; I677-Y703 HydrophobicContact CG2-CE1 4.49Å; I677-Y703 WeakPolarHBondContact CG2-OH 3.31Å; K681-Y703 HydrophobicContact CG-CD2 4.04Å; K681-Y703 HydrophobicContact CG-CE2 4.11Å; K681-Y703 HydrophobicContact CG-CG 4.34Å; Y703-E705 HydrophobicContact CD1-CG 4.19Å; Y703-E705 HydrophobicContact CE1-CG 3.41Å; Y703-E705 VanDerWaalsContact CE1-CG 3.41Å; Y703-E705 WeakPolarHBondContact CE1-OE1 3.48Å; Y703-E715 PolarHBondContact N-O 2.99Å; Y703-E715 PolarHBondContact O-N 2.83Å; Y703-L717 VanDerWaalsContact CB-CD2 3.5Å; Y703-L717 VanDerWaalsContact CB-CG 3.49Å; Y703-L717 HydrophobicContact CD2-CD1 4.32Å; Y703-L717 HydrophobicContact CG-CD1 4.4Å; Y703-L717 HydrophobicContact CG-CD2 4.18Å; Y703-L717 HydrophobicContact CG-CG 4.49Å |
| 704 | Q | 80.8 | Confident | 65.5 | Low | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.2 | -179.9 | 179.5 | 168.4 | 53.7 | 0 | 0 | 110.7 | V664 I665 R666 V667 V712 H714 | V664-Q704 HydrophobicContact CG1-CB 4.48Å; I665-Q704 PolarHBondContact O-N 3.32Å; R666-Q704 CarbonylContact C-O 3.59Å; R666-Q704 VanDerWaalsContact CA-O 3.3Å; R666-Q704 WeakPolarHBondContact CA-O 3.13Å; R666-Q704 HydrophobicContact CG-CB 4.2Å; V667-Q704 PolarHBondContact N-O 3.44Å; Q704-V712 VanDerWaalsContact CD-CG1 3.45Å; Q704-V712 HydrophobicContact CG-CG1 3.54Å; Q704-H714 PolarHBondContact NE2-CD2 3.47Å; Q704-H714 PolarHBondContact NE2-CE1 3.34Å; Q704-H714 PolarHBondContact NE2-NE2 2.85Å |
| 705 | E | 77.3 | Confident | 67.1 | Low | 77 Ų | 77 | 60.4 Ų | 60.4 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.9 | 173.6 | -59.9 | -175.3 | 176.3 | 0 | 0 | 109.8 | P669 Y703 V707 | P669-E705 HydrophobicContact CG-CB 4.11Å; P669-E705 HydrophobicContact CG-CG 3.94Å; Y703-E705 HydrophobicContact CD1-CG 4.19Å; Y703-E705 HydrophobicContact CE1-CG 3.41Å; Y703-E705 VanDerWaalsContact CE1-CG 3.41Å; Y703-E705 WeakPolarHBondContact CE1-OE1 3.48Å; E705-V707 HydrophobicContact CB-CG2 4.33Å |
| 706 | L | 68.3 | Low | 68.1 | Low | 46 Ų | 46 | 57.8 Ų | 57.8 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | trans | -109.2 | 70.2 | 175.2 | -70.9 | 174.8 | 0 | 0 | 0 | 109.3 | R650 R666 V667 V712 | R650-L706 HydrophobicContact CB-CD1 4.27Å; R666-L706 HydrophobicContact CB-CD1 3.77Å; R666-L706 HydrophobicContact CB-CG 4.28Å; R666-L706 HydrophobicContact CG-CD1 4.42Å; V667-L706 PolarHBondContact O-N 3.39Å; L706-V712 HydrophobicContact CD2-CG1 4.07Å | ||
| 707 | V | 60.9 | Low | 69 | Low | 83 Ų | 83 | 57.7 Ų | 57.7 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -84 | -46.7 | 176.4 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | P669 E705 | P669-V707 HydrophobicContact CG-CG2 3.79Å; E705-V707 HydrophobicContact CB-CG2 4.33Å |
| 708 | N | 53.7 | Low | 69.3 | Low | 126 Ų | 126 | 55.1 Ų | 55.1 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -143.8 | 149.2 | 175.8 | -78.4 | -36.5 | 0 | 0 | 0 | 110.4 | S710 | N708-S710 VanDerWaalsContact C-N 3.25Å; N708-S710 PolarHBondContact O-N 3.19Å; N708-S710 VanDerWaalsContact O-N 3.14Å |
| 709 | S | 50.5 | Low | 69.4 | Low | 121 Ų | 121 | 56.4 Ų | 56.4 | 85% | 0.846 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -5.9 | -167.1 | 54.1 | 0 | 0 | 0 | 0 | 116.3 | ||
| 710 | S | 43.2 | Very low | 69.2 | Low | 95 Ų | 95 | 59.5 Ų | 59.5 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -26 | -165.9 | 50.2 | 0 | 0 | 0 | 0 | 116.4 | N708 | N708-S710 VanDerWaalsContact C-N 3.25Å; N708-S710 PolarHBondContact O-N 3.19Å; N708-S710 VanDerWaalsContact O-N 3.14Å |
| 711 | D | 43.2 | Very low | 68.5 | Low | 147 Ų | 147 | 64.4 Ų | 64.4 | 79% | 0.786 | 39% | 0.388 | S | S | * | . | trans | -132.7 | 98 | -179.3 | -80.3 | -47.4 | 0 | 0 | 0 | 110.8 | ||||
| 712 | V | 55.8 | Low | 67.5 | Low | 57 Ų | 57 | 66.7 Ų | 66.7 | 35% | 0.345 | 40% | 0.4 | S | S | . | . | trans | -114.8 | 88.3 | -172.2 | -139.4 | 0 | 0 | 0 | 0 | 110.7 | Q704 L706 | Q704-V712 VanDerWaalsContact CD-CG1 3.45Å; Q704-V712 HydrophobicContact CG-CG1 3.54Å; L706-V712 HydrophobicContact CD2-CG1 4.07Å | ||
| 713 | A | 60.3 | Low | 66.4 | Low | 87 Ų | 87 | 66.3 Ų | 66.3 | 72% | 0.719 | 40% | 0.399 | S | S | * | . | trans | -75.3 | 142.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 714 | H | 70.5 | Confident | 65.6 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 35% | 0.352 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.8 | 172 | -58.1 | 74.3 | 0 | 0 | 0 | 107.4 | Y702 Q704 L736 | Y702-H714 HydrophobicContact CD1-CB 4.18Å; Q704-H714 PolarHBondContact NE2-CD2 3.47Å; Q704-H714 PolarHBondContact NE2-CE1 3.34Å; Q704-H714 PolarHBondContact NE2-NE2 2.85Å; H714-L736 HydrophobicContact CB-CD2 3.8Å; H714-L736 WeakPolarHBondContact CD2-CD2 3.45Å |
| 715 | E | 77.8 | Confident | 64.9 | Low | 85 Ų | 85 | 68.2 Ų | 68.2 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124 | 173.3 | -175.8 | -178.6 | 150.8 | 0 | 0 | 108.4 | K681 Y702 Y703 L717 | K681-E715 IonicContact NZ-OE1 2.73Å; K681-E715 PolarHBondContact NZ-OE1 3.1Å; K681-E715 IonicContact NZ-OE2 3.26Å; K681-E715 PolarHBondContact NZ-OE2 3.19Å; Y702-E715 CarbonylContact C-O 3.56Å; Y702-E715 WeakPolarHBondContact CA-O 3.47Å; Y703-E715 PolarHBondContact N-O 2.99Å; Y703-E715 PolarHBondContact O-N 2.83Å; E715-L717 HydrophobicContact CG-CD2 4.31Å; E715-L717 PolarHBondContact O-N 3.04Å |
| 716 | L | 81.4 | Confident | 64.2 | Low | 57 Ų | 57 | 68.3 Ų | 68.3 | 30% | 0.298 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 114.8 | 171 | 178 | 68.4 | 0 | 0 | 0 | 107.6 | Y702 G718 L721 | Y702-L716 HydrophobicContact CD1-CB 4.11Å; Y702-L716 HydrophobicContact CD1-CD1 4.1Å; Y702-L716 HydrophobicContact CD2-CD1 4.36Å; Y702-L716 HydrophobicContact CE1-CB 3.87Å; Y702-L716 HydrophobicContact CE1-CD1 3.71Å; Y702-L716 HydrophobicContact CE1-CG 4.37Å; Y702-L716 HydrophobicContact CE2-CD1 3.96Å; Y702-L716 HydrophobicContact CG-CD1 4.44Å; L716-G718 WeakPolarHBondContact CD1-O 3.34Å; L716-L721 HydrophobicContact CB-CD1 4.43Å; L716-L721 HydrophobicContact CD2-CB 4.39Å; L716-L721 HydrophobicContact CD2-CD1 4.03Å |
| 717 | L | 81.6 | Confident | 63.9 | Low | 29 Ų | 29 | 66.2 Ų | 66.2 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -32.7 | 176.9 | -61.8 | -173.5 | 0 | 0 | 0 | 112.1 | K681 V684 V685 V701 Y703 E715 | K681-L717 HydrophobicContact CB-CD1 4.18Å; K681-L717 HydrophobicContact CB-CD2 3.85Å; K681-L717 HydrophobicContact CD-CD2 3.7Å; K681-L717 HydrophobicContact CG-CD1 4.18Å; K681-L717 HydrophobicContact CG-CD2 3.62Å; V684-L717 HydrophobicContact CB-CD1 4.21Å; V684-L717 HydrophobicContact CG1-CD1 3.76Å; V685-L717 HydrophobicContact CG2-CB 3.39Å; V685-L717 HydrophobicContact CG2-CD1 4.34Å; V685-L717 HydrophobicContact CG2-CG 4.49Å; V685-L717 WeakPolarHBondContact CG2-O 3.48Å; V701-L717 WeakPolarHBondContact O-CB 3.45Å; V701-L717 PolarHBondContact O-N 3.22Å; Y703-L717 VanDerWaalsContact CB-CD2 3.5Å; Y703-L717 VanDerWaalsContact CB-CG 3.49Å; Y703-L717 HydrophobicContact CD2-CD1 4.32Å; Y703-L717 HydrophobicContact CG-CD1 4.4Å; Y703-L717 HydrophobicContact CG-CD2 4.18Å; Y703-L717 HydrophobicContact CG-CG 4.49Å; E715-L717 HydrophobicContact CG-CD2 4.31Å; E715-L717 PolarHBondContact O-N 3.04Å |
| 718 | G | 75.1 | Confident | 64 | Low | 15 Ų | 15 | 64.8 Ų | 64.8 | 16% | 0.155 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175 | 158.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S700 V701 L716 | S700-G718 WeakPolarHBondContact CA-O 3.23Å; V701-G718 PolarHBondContact N-O 3.15Å; V701-G718 PolarHBondContact O-N 3.15Å; L716-G718 WeakPolarHBondContact CD1-O 3.34Å |
| 719 | G | 75.2 | Confident | 64.5 | Low | 47 Ų | 47 | 65 Ų | 65 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.3 | -157.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S699 | S699-G719 CarbonylContact O-C 3.58Å; S699-G719 WeakPolarHBondContact O-CA 3.47Å |
| 720 | C | 69 | Low | 65 | Low | 80 Ų | 80 | 61.6 Ų | 61.6 | 54% | 0.541 | 36% | 0.355 | S | S | . | . | trans | -91.6 | 141.3 | -179 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | S699 S700 L722 | S699-C720 PolarHBondContact O-N 3.07Å; S700-C720 WeakPolarHBondContact CB-O 3.49Å; S700-C720 PolarHBondContact OG-O 3.48Å; C720-L722 WeakPolarHBondContact CB-O 3.46Å; C720-L722 PolarHBondContact O-N 2.8Å; C720-L722 VanDerWaalsContact O-N 3.07Å | ||
| 721 | L | 64.5 | Low | 66.1 | Low | 104 Ų | 104 | 64.1 Ų | 64.1 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -65.3 | -12.2 | 175.2 | -159 | 91.6 | 0 | 0 | 0 | 113.3 | Y702 L716 | Y702-L721 WeakPolarHBondContact OH-CA 3.39Å; Y702-L721 PolarHBondContact OH-O 2.88Å; L716-L721 HydrophobicContact CB-CD1 4.43Å; L716-L721 HydrophobicContact CD2-CB 4.39Å; L716-L721 HydrophobicContact CD2-CD1 4.03Å |
| 722 | L | 62.1 | Low | 67.1 | Low | 47 Ų | 47 | 58 Ų | 58 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.8 | -172 | -62 | 169.7 | 0 | 0 | 0 | 108.1 | C720 Y724 L735 | C720-L722 WeakPolarHBondContact CB-O 3.46Å; C720-L722 PolarHBondContact O-N 2.8Å; C720-L722 VanDerWaalsContact O-N 3.07Å; L722-Y724 HydrophobicContact CB-CE2 4.26Å; L722-L735 HydrophobicContact CD2-CD2 3.66Å; L722-L735 HydrophobicContact CD2-CG 4.02Å |
| 723 | A | 61.7 | Low | 67.3 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 159.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y657 D660 L662 I734 | Y657-A723 HydrophobicContact CD2-CB 4.21Å; Y657-A723 HydrophobicContact CE2-CB 4.4Å; D660-A723 HydrophobicContact CB-CB 3.89Å; D660-A723 WeakPolarHBondContact OD2-CA 3.44Å; L662-A723 HydrophobicContact CD1-CB 3.23Å; L662-A723 HydrophobicContact CD2-CB 4.37Å; L662-A723 HydrophobicContact CG-CB 3.74Å; A723-I734 PolarHBondContact N-O 2.86Å; A723-I734 VanDerWaalsContact N-O 3.15Å; A723-I734 PolarHBondContact O-N 2.84Å |
| 724 | Y | 63.9 | Low | 67.3 | Low | 47 Ų | 47 | 60.2 Ų | 60.2 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.8 | -179.1 | -65 | -91.4 | 0 | 0 | 0 | 110.6 | Y657 E659 D660 L722 R731 F732 R733 | Y657-Y724 WeakPolarHBondContact CB-O 3.43Å; E659-Y724 WeakPolarHBondContact OE2-CB 2.94Å; D660-Y724 PolarHBondContact OD2-N 3.29Å; L722-Y724 HydrophobicContact CB-CE2 4.26Å; Y724-R731 HydrophobicContact CD1-CG 3.94Å; Y724-F732 VanDerWaalsContact CA-O 3.31Å; Y724-F732 WeakPolarHBondContact CA-O 3.42Å; Y724-R733 HydrophobicContact CD1-CG 3.96Å; Y724-R733 HydrophobicContact CE1-CB 4.45Å; Y724-R733 HydrophobicContact CE1-CG 3.27Å; Y724-R733 PolarHBondContact OH-NE 3.46Å |
| 725 | E | 66.4 | Low | 66.7 | Low | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.4 | 169.5 | 177.5 | 73.7 | -167.6 | 0 | 0 | 106.7 | Y657 E658 F732 I734 F740 T744 | Y657-E725 WeakPolarHBondContact CA-OE2 3.46Å; Y657-E725 WeakPolarHBondContact CB-OE2 3.19Å; Y657-E725 HydrophobicContact CD1-CB 4.08Å; Y657-E725 HydrophobicContact CD1-CG 4.44Å; Y657-E725 WeakPolarHBondContact CD1-OE2 3.33Å; E658-E725 PolarHBondContact N-OE2 3.36Å; E725-F732 PolarHBondContact N-O 3.27Å; E725-F732 PolarHBondContact O-N 2.91Å; E725-I734 HydrophobicContact CB-CD1 3.69Å; E725-F740 HydrophobicContact CB-CE2 4.05Å; E725-F740 HydrophobicContact CG-CE2 4.19Å; E725-T744 WeakPolarHBondContact OE1-CB 3.5Å; E725-T744 VanDerWaalsContact OE1-CG2 3.23Å; E725-T744 WeakPolarHBondContact OE1-CG2 3.24Å; E725-T744 PolarHBondContact OE1-OG1 2.79Å |
| 726 | K | 63.8 | Low | 65.7 | Low | 78 Ų | 78 | 57 Ų | 57 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.8 | 175 | -164.6 | -178.9 | 172.5 | -165.5 | 0 | 109 | D729 | K726-D729 WeakPolarHBondContact CE-OD1 3.46Å; K726-D729 IonicContact NZ-OD1 2.59Å; K726-D729 PolarHBondContact NZ-OD1 2.72Å |
| 727 | L | 62.4 | Low | 64.4 | Low | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 112.9 | 178.5 | -136.2 | 148.5 | 0 | 0 | 0 | 108.9 | D729 I730 F732 T744 C747 A775 | L727-D729 VanDerWaalsContact C-N 3.33Å; L727-D729 PolarHBondContact O-N 3.46Å; L727-I730 PolarHBondContact N-O 3.04Å; L727-I730 PolarHBondContact O-N 3.27Å; L727-F732 HydrophobicContact CB-CD2 4.09Å; L727-F732 HydrophobicContact CB-CE2 3.64Å; L727-T744 HydrophobicContact CD1-CG2 3.61Å; L727-T744 HydrophobicContact CG-CG2 3.63Å; L727-C747 HydrophobicContact CD1-CB 4.04Å; L727-C747 HydrophobicContact CD2-CB 3.75Å; L727-A775 HydrophobicContact CD1-CB 4.25Å |
| 728 | F | 61.4 | Low | 62.9 | Low | 52 Ų | 52 | 59 Ų | 59 | 23% | 0.228 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 47.8 | -175.3 | -62 | -69.3 | 0 | 0 | 0 | 114.8 | I730 E748 Y751 C779 K782 | F728-I730 PolarHBondContact O-N 3.12Å; F728-E748 HydrophobicContact CE1-CB 4.32Å; F728-E748 HydrophobicContact CE1-CG 4.03Å; F728-E748 HydrophobicContact CE2-CB 4.08Å; F728-E748 HydrophobicContact CE2-CG 3.8Å; F728-E748 HydrophobicContact CZ-CB 3.57Å; F728-E748 HydrophobicContact CZ-CG 3.53Å; F728-Y751 HydrophobicContact CD1-CD1 4.19Å; F728-Y751 HydrophobicContact CD1-CE1 4.19Å; F728-Y751 HydrophobicContact CD2-CD1 4.06Å; F728-Y751 AromaticContact CD2-CD2 3.93Å; F728-Y751 HydrophobicContact CD2-CD2 3.93Å; F728-Y751 HydrophobicContact CD2-CE1 4.46Å; F728-Y751 HydrophobicContact CD2-CE2 4.36Å; F728-Y751 AromaticContact CD2-CG 3.77Å; F728-Y751 HydrophobicContact CD2-CG 3.77Å; F728-Y751 AromaticContact CE1-CD1 3.64Å; F728-Y751 HydrophobicContact CE1-CD1 3.64Å; F728-Y751 HydrophobicContact CE1-CE1 4.01Å; F728-Y751 HydrophobicContact CE1-CG 4.26Å; F728-Y751 AromaticContact CE2-CD1 3.53Å; F728-Y751 HydrophobicContact CE2-CD1 3.53Å; F728-Y751 AromaticContact CE2-CD2 3.85Å; F728-Y751 HydrophobicContact CE2-CD2 3.85Å; F728-Y751 HydrophobicContact CE2-CE1 4.33Å; F728-Y751 AromaticContact CE2-CG 3.24Å; F728-Y751 HydrophobicContact CE2-CG 3.24Å; F728-Y751 HydrophobicContact CG-CD1 4.34Å; F728-Y751 HydrophobicContact CG-CE1 4.38Å; F728-Y751 HydrophobicContact CG-CG 4.46Å; F728-Y751 VanDerWaalsContact CZ-CB 3.5Å; F728-Y751 AromaticContact CZ-CD1 3.23Å; F728-Y751 HydrophobicContact CZ-CD1 3.23Å; F728-Y751 HydrophobicContact CZ-CD2 4.43Å; F728-Y751 HydrophobicContact CZ-CE1 4.04Å; F728-Y751 AromaticContact CZ-CG 3.48Å; F728-Y751 HydrophobicContact CZ-CG 3.48Å; F728-Y751 VanDerWaalsContact CZ-CG 3.48Å; F728-C779 HydrophobicContact CD2-CB 4.1Å; F728-K782 PolarHBondContact O-NZ 2.95Å; F728-K782 VanDerWaalsContact O-NZ 3.11Å |
| 729 | D | 64 | Low | 61.8 | Low | 131 Ų | 131 | 63 Ų | 63 | 70% | 0.701 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 2.9 | -177 | -59.8 | -49.5 | 0 | 0 | 0 | 116.9 | K726 L727 | K726-D729 WeakPolarHBondContact CE-OD1 3.46Å; K726-D729 IonicContact NZ-OD1 2.59Å; K726-D729 PolarHBondContact NZ-OD1 2.72Å; L727-D729 VanDerWaalsContact C-N 3.33Å; L727-D729 PolarHBondContact O-N 3.46Å |
| 730 | I | 61.1 | Low | 60.7 | Low | 50 Ų | 50 | 63.2 Ų | 63.2 | 26% | 0.256 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.6 | 172.5 | -53.6 | -175.7 | 0 | 0 | 0 | 108.5 | L727 F728 F732 | L727-I730 PolarHBondContact N-O 3.04Å; L727-I730 PolarHBondContact O-N 3.27Å; F728-I730 PolarHBondContact O-N 3.12Å; I730-F732 HydrophobicContact CB-CE2 3.8Å; I730-F732 HydrophobicContact CB-CZ 4.17Å; I730-F732 HydrophobicContact CG2-CD2 4.3Å; I730-F732 HydrophobicContact CG2-CE1 4.4Å; I730-F732 HydrophobicContact CG2-CE2 3.76Å; I730-F732 HydrophobicContact CG2-CZ 3.83Å; I730-F732 VanDerWaalsContact O-CD2 3.29Å; I730-F732 WeakPolarHBondContact O-CD2 3.43Å; I730-F732 WeakPolarHBondContact O-CE2 3.5Å |
| 731 | R | 67.1 | Low | 60 | Low | 148 Ų | 148 | 61.9 Ų | 61.9 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.5 | 176.2 | -159 | -179.3 | -175 | -165.5 | -2.9 | 109.6 | E659 Y724 | E659-R731 IonicContact OE1-NE 2.82Å; E659-R731 IonicContact OE2-CZ 2.62Å; E659-R731 IonicContact OE2-NE 3.35Å; E659-R731 PolarHBondContact OE2-NE 2.87Å; E659-R731 IonicContact OE2-NH2 2.79Å; E659-R731 PolarHBondContact OE2-NH2 3.45Å; Y724-R731 HydrophobicContact CD1-CG 3.94Å |
| 732 | F | 63.8 | Low | 59.4 | Low | 18 Ų | 18 | 57.7 Ų | 57.7 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133 | -178.8 | -69.3 | -93 | 0 | 0 | 0 | 110.9 | Y724 E725 L727 I730 F740 A775 L778 | Y724-F732 VanDerWaalsContact CA-O 3.31Å; Y724-F732 WeakPolarHBondContact CA-O 3.42Å; E725-F732 PolarHBondContact N-O 3.27Å; E725-F732 PolarHBondContact O-N 2.91Å; L727-F732 HydrophobicContact CB-CD2 4.09Å; L727-F732 HydrophobicContact CB-CE2 3.64Å; I730-F732 HydrophobicContact CB-CE2 3.8Å; I730-F732 HydrophobicContact CB-CZ 4.17Å; I730-F732 HydrophobicContact CG2-CD2 4.3Å; I730-F732 HydrophobicContact CG2-CE1 4.4Å; I730-F732 HydrophobicContact CG2-CE2 3.76Å; I730-F732 HydrophobicContact CG2-CZ 3.83Å; I730-F732 VanDerWaalsContact O-CD2 3.29Å; I730-F732 WeakPolarHBondContact O-CD2 3.43Å; I730-F732 WeakPolarHBondContact O-CE2 3.5Å; F732-F740 HydrophobicContact CB-CZ 3.95Å; F732-F740 HydrophobicContact CD1-CZ 4.25Å; F732-F740 HydrophobicContact CG-CZ 4.01Å; F732-A775 HydrophobicContact CD1-CB 4.14Å; F732-A775 HydrophobicContact CD2-CB 4.5Å; F732-A775 HydrophobicContact CE1-CB 3.66Å; F732-A775 HydrophobicContact CE2-CB 4.09Å; F732-A775 HydrophobicContact CZ-CB 3.64Å; F732-L778 HydrophobicContact CD1-CD1 4.42Å; F732-L778 HydrophobicContact CE1-CB 3.8Å; F732-L778 HydrophobicContact CE1-CD1 3.75Å; F732-L778 HydrophobicContact CE1-CG 4.38Å; F732-L778 HydrophobicContact CZ-CB 4.01Å |
| 733 | R | 61.3 | Low | 59.3 | Low | 186 Ų | 186 | 58.1 Ų | 58.1 | 70% | 0.702 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.5 | 166.9 | -79.9 | 178.7 | 175.8 | 171.3 | 5.2 | 109.5 | Y724 | Y724-R733 HydrophobicContact CD1-CG 3.96Å; Y724-R733 HydrophobicContact CE1-CB 4.45Å; Y724-R733 HydrophobicContact CE1-CG 3.27Å; Y724-R733 PolarHBondContact OH-NE 3.46Å |
| 734 | I | 60 | Low | 59.2 | Low | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117 | -177.9 | -49 | 173.6 | 0 | 0 | 0 | 109.1 | Y657 A723 E725 F740 | Y657-I734 HydrophobicContact CD1-CD1 3.55Å; Y657-I734 HydrophobicContact CE1-CD1 3.34Å; Y657-I734 HydrophobicContact CG-CD1 4.19Å; A723-I734 PolarHBondContact N-O 2.86Å; A723-I734 VanDerWaalsContact N-O 3.15Å; A723-I734 PolarHBondContact O-N 2.84Å; E725-I734 HydrophobicContact CB-CD1 3.69Å; I734-F740 HydrophobicContact CD1-CD2 4.14Å; I734-F740 HydrophobicContact CD1-CE2 3.4Å; I734-F740 HydrophobicContact CD1-CZ 4.15Å; I734-F740 HydrophobicContact CG1-CE2 3.93Å; I734-F740 HydrophobicContact CG1-CZ 4.19Å |
| 735 | L | 57.3 | Low | 59 | Low | 83 Ų | 83 | 62 Ų | 62 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 147.8 | 166.3 | -76 | 161.6 | 0 | 0 | 0 | 109.4 | L722 S737 V738 | L722-L735 HydrophobicContact CD2-CD2 3.66Å; L722-L735 HydrophobicContact CD2-CG 4.02Å; L735-S737 PolarHBondContact O-N 3.01Å; L735-V738 HydrophobicContact CB-CG2 3.97Å; L735-V738 WeakPolarHBondContact O-CA 3.47Å; L735-V738 WeakPolarHBondContact O-CB 3.47Å; L735-V738 PolarHBondContact O-N 3.48Å |
| 736 | L | 57 | Low | 58.8 | Low | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.8 | -177.8 | -165.8 | 73.1 | 0 | 0 | 0 | 114.2 | R655 L662 V664 Y702 H714 V738 | R655-L736 PolarHBondContact NH1-O 3.47Å; R655-L736 PolarHBondContact NH2-O 3.13Å; R655-L736 VanDerWaalsContact NH2-O 3.1Å; L662-L736 HydrophobicContact CD2-CD1 4.21Å; V664-L736 HydrophobicContact CG2-CD1 3.71Å; V664-L736 HydrophobicContact CG2-CD2 4.24Å; V664-L736 HydrophobicContact CG2-CG 4.37Å; Y702-L736 HydrophobicContact CD1-CD2 3.61Å; Y702-L736 HydrophobicContact CD2-CD1 3.7Å; Y702-L736 HydrophobicContact CD2-CD2 3.88Å; Y702-L736 HydrophobicContact CD2-CG 4.38Å; Y702-L736 HydrophobicContact CE1-CD2 3.88Å; Y702-L736 HydrophobicContact CE2-CD1 3.7Å; Y702-L736 HydrophobicContact CE2-CD2 4.14Å; Y702-L736 HydrophobicContact CE2-CG 4.35Å; Y702-L736 HydrophobicContact CG-CD1 4.28Å; Y702-L736 HydrophobicContact CG-CD2 3.58Å; H714-L736 HydrophobicContact CB-CD2 3.8Å; H714-L736 WeakPolarHBondContact CD2-CD2 3.45Å; L736-V738 VanDerWaalsContact C-N 3.26Å; L736-V738 PolarHBondContact O-N 3.27Å |
| 737 | S | 53.7 | Low | 58.9 | Low | 79 Ų | 79 | 59 Ų | 59 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.3 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | L735 F739 | L735-S737 PolarHBondContact O-N 3.01Å; S737-F739 WeakPolarHBondContact O-CE2 3.37Å |
| 738 | V | 51 | Low | 59.1 | Low | 48 Ų | 48 | 61.5 Ų | 61.5 | 29% | 0.291 | 30% | 0.295 | S | S | . | . | trans | -108.4 | 137.8 | -178.5 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | R655 L735 L736 | R655-V738 PolarHBondContact NH1-O 3.48Å; L735-V738 HydrophobicContact CB-CG2 3.97Å; L735-V738 WeakPolarHBondContact O-CA 3.47Å; L735-V738 WeakPolarHBondContact O-CB 3.47Å; L735-V738 PolarHBondContact O-N 3.48Å; L736-V738 VanDerWaalsContact C-N 3.26Å; L736-V738 PolarHBondContact O-N 3.27Å | ||
| 739 | F | 52.1 | Low | 59.3 | Low | 100 Ų | 100 | 63.2 Ų | 63.2 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | trans | -132.3 | 140.5 | -178.9 | -42.1 | -105.4 | 0 | 0 | 0 | 108.8 | R655 S737 | R655-F739 VanDerWaalsContact CZ-CD1 3.48Å; S737-F739 WeakPolarHBondContact O-CE2 3.37Å | ||
| 740 | F | 52.1 | Low | 59.5 | Low | 50 Ų | 50 | 58.2 Ų | 58.2 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | trans | -75.1 | 127.2 | 163.7 | -67.2 | -56.8 | 0 | 0 | 0 | 109.8 | Y657 E725 F732 I734 L742 A775 | Y657-F740 HydrophobicContact CE1-CD2 4.39Å; E725-F740 HydrophobicContact CB-CE2 4.05Å; E725-F740 HydrophobicContact CG-CE2 4.19Å; F732-F740 HydrophobicContact CB-CZ 3.95Å; F732-F740 HydrophobicContact CD1-CZ 4.25Å; F732-F740 HydrophobicContact CG-CZ 4.01Å; I734-F740 HydrophobicContact CD1-CD2 4.14Å; I734-F740 HydrophobicContact CD1-CE2 3.4Å; I734-F740 HydrophobicContact CD1-CZ 4.15Å; I734-F740 HydrophobicContact CG1-CE2 3.93Å; I734-F740 HydrophobicContact CG1-CZ 4.19Å; F740-L742 WeakPolarHBondContact CB-O 3.38Å; F740-L742 PolarHBondContact O-N 2.84Å; F740-A775 HydrophobicContact CD1-CB 3.64Å; F740-A775 HydrophobicContact CE1-CB 3.14Å; F740-A775 HydrophobicContact CZ-CB 3.82Å | ||
| 741 | Q | 52.8 | Low | 60.2 | Low | 52 Ų | 52 | 57.1 Ų | 57.1 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -69.9 | -17.1 | 176.6 | -75.8 | -175.3 | -63.5 | 0 | 0 | 113 | K603 I842 P843 | K603-Q741 WeakPolarHBondContact CE-O 3.04Å; K603-Q741 PolarHBondContact NZ-O 2.86Å; Q741-I842 HydrophobicContact CB-CG2 4.42Å; Q741-P843 PolarHBondContact NE2-O 3.48Å |
| 742 | L | 53.3 | Low | 60.7 | Low | 16 Ų | 16 | 51.6 Ų | 51.6 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -130.3 | 148.2 | -177.5 | -71.2 | 156.6 | 0 | 0 | 0 | 108.2 | F740 C746 L750 I842 L868 | F740-L742 WeakPolarHBondContact CB-O 3.38Å; F740-L742 PolarHBondContact O-N 2.84Å; L742-C746 HydrophobicContact CB-CB 4.28Å; L742-C746 HydrophobicContact CD2-CB 4.12Å; L742-L750 HydrophobicContact CD1-CD1 3.74Å; L742-L750 HydrophobicContact CD2-CD1 4.42Å; L742-I842 HydrophobicContact CD1-CD1 3.76Å; L742-I842 HydrophobicContact CD1-CG2 3.79Å; L742-I842 HydrophobicContact CG-CG2 4.32Å; L742-L868 HydrophobicContact CD1-CD1 4.08Å |
| 743 | N | 58.8 | Low | 61.1 | Low | 56 Ų | 56 | 52.9 Ų | 52.9 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | trans | -70.7 | 161.2 | 171.2 | 88.1 | -8.8 | 0 | 0 | 0 | 110 | A610 K745 C746 C747 | A610-N743 WeakPolarHBondContact CB-ND2 2.87Å; N743-K745 VanDerWaalsContact C-N 3.28Å; N743-K745 PolarHBondContact O-N 2.97Å; N743-K745 PolarHBondContact OD1-N 3.1Å; N743-C746 PolarHBondContact O-N 3.11Å; N743-C746 VanDerWaalsContact O-N 3.15Å; N743-C746 WeakPolarHBondContact OD1-CB 3.41Å; N743-C746 PolarHBondContact OD1-N 3.44Å; N743-C746 PolarHBondContact OD1-SG 3.29Å; N743-C747 PolarHBondContact O-N 2.85Å | ||
| 744 | T | 60.4 | Low | 61.7 | Low | 36 Ų | 36 | 44 Ų | 44 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.8 | -45.8 | -176.9 | -44.3 | 0 | 0 | 0 | 0 | 111.8 | E725 L727 C746 C747 E748 | E725-T744 WeakPolarHBondContact OE1-CB 3.5Å; E725-T744 VanDerWaalsContact OE1-CG2 3.23Å; E725-T744 WeakPolarHBondContact OE1-CG2 3.24Å; E725-T744 PolarHBondContact OE1-OG1 2.79Å; L727-T744 HydrophobicContact CD1-CG2 3.61Å; L727-T744 HydrophobicContact CG-CG2 3.63Å; T744-C746 PolarHBondContact O-N 2.94Å; T744-C747 CarbonylContact O-C 3.56Å; T744-C747 WeakPolarHBondContact O-CA 3.22Å; T744-C747 VanDerWaalsContact O-CB 3.27Å; T744-C747 WeakPolarHBondContact O-CB 3.46Å; T744-C747 PolarHBondContact O-N 3.31Å; T744-E748 WeakPolarHBondContact O-CG 3.37Å; T744-E748 PolarHBondContact O-N 2.91Å |
| 745 | K | 59.9 | Low | 62.6 | Low | 95 Ų | 95 | 44.5 Ų | 44.5 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.8 | -33.2 | -178.3 | -153.1 | 76.6 | -172.9 | 172.1 | 0 | 114.7 | A609 N743 C747 E748 V749 | A609-K745 HydrophobicContact CB-CB 4.19Å; A609-K745 HydrophobicContact CB-CG 3.63Å; A609-K745 WeakPolarHBondContact O-CG 3.13Å; N743-K745 VanDerWaalsContact C-N 3.28Å; N743-K745 PolarHBondContact O-N 2.97Å; N743-K745 PolarHBondContact OD1-N 3.1Å; K745-C747 VanDerWaalsContact C-N 3.34Å; K745-E748 VanDerWaalsContact CD-OE2 3.24Å; K745-E748 WeakPolarHBondContact CD-OE2 3.46Å; K745-E748 WeakPolarHBondContact CE-OE2 3.37Å; K745-E748 IonicContact NZ-OE2 2.72Å; K745-E748 PolarHBondContact NZ-OE2 2.86Å; K745-E748 WeakPolarHBondContact O-CA 3.46Å; K745-E748 WeakPolarHBondContact O-CB 3.47Å; K745-E748 PolarHBondContact O-N 2.97Å; K745-E748 VanDerWaalsContact O-N 3.09Å; K745-V749 PolarHBondContact O-N 3.34Å |
| 746 | C | 61.8 | Low | 63.7 | Low | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 171.2 | -68.6 | 0 | 0 | 0 | 0 | 109.6 | L742 N743 T744 E748 V749 L750 | L742-C746 HydrophobicContact CB-CB 4.28Å; L742-C746 HydrophobicContact CD2-CB 4.12Å; N743-C746 PolarHBondContact O-N 3.11Å; N743-C746 VanDerWaalsContact O-N 3.15Å; N743-C746 WeakPolarHBondContact OD1-CB 3.41Å; N743-C746 PolarHBondContact OD1-N 3.44Å; N743-C746 PolarHBondContact OD1-SG 3.29Å; T744-C746 PolarHBondContact O-N 2.94Å; C746-E748 PolarHBondContact O-N 3.15Å; C746-V749 PolarHBondContact O-N 3.27Å; C746-L750 VanDerWaalsContact O-CB 3.25Å; C746-L750 WeakPolarHBondContact O-CB 3.38Å; C746-L750 WeakPolarHBondContact O-CD1 3.3Å; C746-L750 WeakPolarHBondContact O-CG 3.25Å; C746-L750 PolarHBondContact O-N 2.86Å |
| 747 | C | 65.8 | Low | 64.4 | Low | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.4 | -35.1 | 170.9 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | L727 N743 T744 K745 Y751 L776 | L727-C747 HydrophobicContact CD1-CB 4.04Å; L727-C747 HydrophobicContact CD2-CB 3.75Å; N743-C747 PolarHBondContact O-N 2.85Å; T744-C747 CarbonylContact O-C 3.56Å; T744-C747 WeakPolarHBondContact O-CA 3.22Å; T744-C747 VanDerWaalsContact O-CB 3.27Å; T744-C747 WeakPolarHBondContact O-CB 3.46Å; T744-C747 PolarHBondContact O-N 3.31Å; K745-C747 VanDerWaalsContact C-N 3.34Å; C747-Y751 WeakPolarHBondContact O-CB 3.26Å; C747-Y751 PolarHBondContact O-N 3.04Å; C747-L776 WeakPolarHBondContact O-CD1 3.43Å |
| 748 | E | 66.4 | Low | 65.5 | Low | 56 Ų | 56 | 48.5 Ų | 48.5 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.6 | -50.1 | 177.7 | -68.4 | -176.8 | -172.4 | 0 | 0 | 114.8 | F728 T744 K745 C746 L750 Y751 G752 | F728-E748 HydrophobicContact CE1-CB 4.32Å; F728-E748 HydrophobicContact CE1-CG 4.03Å; F728-E748 HydrophobicContact CE2-CB 4.08Å; F728-E748 HydrophobicContact CE2-CG 3.8Å; F728-E748 HydrophobicContact CZ-CB 3.57Å; F728-E748 HydrophobicContact CZ-CG 3.53Å; T744-E748 WeakPolarHBondContact O-CG 3.37Å; T744-E748 PolarHBondContact O-N 2.91Å; K745-E748 VanDerWaalsContact CD-OE2 3.24Å; K745-E748 WeakPolarHBondContact CD-OE2 3.46Å; K745-E748 WeakPolarHBondContact CE-OE2 3.37Å; K745-E748 IonicContact NZ-OE2 2.72Å; K745-E748 PolarHBondContact NZ-OE2 2.86Å; K745-E748 WeakPolarHBondContact O-CA 3.46Å; K745-E748 WeakPolarHBondContact O-CB 3.47Å; K745-E748 PolarHBondContact O-N 2.97Å; K745-E748 VanDerWaalsContact O-N 3.09Å; C746-E748 PolarHBondContact O-N 3.15Å; E748-L750 PolarHBondContact O-N 2.89Å; E748-Y751 PolarHBondContact O-N 3.14Å; E748-G752 PolarHBondContact O-N 3.36Å |
| 749 | V | 65.4 | Low | 66.9 | Low | 88 Ų | 88 | 53.7 Ų | 53.7 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.6 | -42 | 176.3 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | A609 K745 C746 G752 A753 | A609-V749 HydrophobicContact CB-CG2 3.75Å; K745-V749 PolarHBondContact O-N 3.34Å; C746-V749 PolarHBondContact O-N 3.27Å; V749-G752 PolarHBondContact O-N 3.22Å; V749-A753 PolarHBondContact O-N 2.85Å |
| 750 | L | 69.1 | Low | 68.2 | Low | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 179.2 | -68.9 | 170.6 | 0 | 0 | 0 | 112.7 | L742 C746 E748 G752 A753 V754 L776 L868 | L742-L750 HydrophobicContact CD1-CD1 3.74Å; L742-L750 HydrophobicContact CD2-CD1 4.42Å; C746-L750 VanDerWaalsContact O-CB 3.25Å; C746-L750 WeakPolarHBondContact O-CB 3.38Å; C746-L750 WeakPolarHBondContact O-CD1 3.3Å; C746-L750 WeakPolarHBondContact O-CG 3.25Å; C746-L750 PolarHBondContact O-N 2.86Å; E748-L750 PolarHBondContact O-N 2.89Å; L750-G752 VanDerWaalsContact C-N 3.28Å; L750-G752 PolarHBondContact O-N 2.69Å; L750-A753 PolarHBondContact O-N 3.33Å; L750-V754 WeakPolarHBondContact O-CB 3.27Å; L750-V754 WeakPolarHBondContact O-CG2 3.42Å; L750-V754 PolarHBondContact O-N 2.94Å; L750-L776 HydrophobicContact CB-CD1 4.45Å; L750-L776 HydrophobicContact CB-CD2 3.91Å; L750-L776 HydrophobicContact CD1-CD2 4.3Å; L750-L868 HydrophobicContact CD1-CD1 3.45Å; L750-L868 VanDerWaalsContact CD1-CD1 3.45Å; L750-L868 HydrophobicContact CD1-CD2 3.85Å; L750-L868 HydrophobicContact CD1-CG 4.3Å; L750-L868 HydrophobicContact CD2-CD1 4.13Å; L750-L868 HydrophobicContact CD2-CD2 3.22Å; L750-L868 HydrophobicContact CD2-CG 4.27Å; L750-L868 HydrophobicContact CG-CD1 4.37Å; L750-L868 HydrophobicContact CG-CD2 4.14Å |
| 751 | Y | 75.5 | Confident | 69.2 | Low | 27 Ų | 27 | 52.1 Ų | 52.1 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 173 | 174.3 | -84.5 | 0 | 0 | 0 | 110.7 | F728 C747 E748 A753 V754 E755 C779 L780 K782 N783 | F728-Y751 HydrophobicContact CD1-CD1 4.19Å; F728-Y751 HydrophobicContact CD1-CE1 4.19Å; F728-Y751 HydrophobicContact CD2-CD1 4.06Å; F728-Y751 AromaticContact CD2-CD2 3.93Å; F728-Y751 HydrophobicContact CD2-CD2 3.93Å; F728-Y751 HydrophobicContact CD2-CE1 4.46Å; F728-Y751 HydrophobicContact CD2-CE2 4.36Å; F728-Y751 AromaticContact CD2-CG 3.77Å; F728-Y751 HydrophobicContact CD2-CG 3.77Å; F728-Y751 AromaticContact CE1-CD1 3.64Å; F728-Y751 HydrophobicContact CE1-CD1 3.64Å; F728-Y751 HydrophobicContact CE1-CE1 4.01Å; F728-Y751 HydrophobicContact CE1-CG 4.26Å; F728-Y751 AromaticContact CE2-CD1 3.53Å; F728-Y751 HydrophobicContact CE2-CD1 3.53Å; F728-Y751 AromaticContact CE2-CD2 3.85Å; F728-Y751 HydrophobicContact CE2-CD2 3.85Å; F728-Y751 HydrophobicContact CE2-CE1 4.33Å; F728-Y751 AromaticContact CE2-CG 3.24Å; F728-Y751 HydrophobicContact CE2-CG 3.24Å; F728-Y751 HydrophobicContact CG-CD1 4.34Å; F728-Y751 HydrophobicContact CG-CE1 4.38Å; F728-Y751 HydrophobicContact CG-CG 4.46Å; F728-Y751 VanDerWaalsContact CZ-CB 3.5Å; F728-Y751 AromaticContact CZ-CD1 3.23Å; F728-Y751 HydrophobicContact CZ-CD1 3.23Å; F728-Y751 HydrophobicContact CZ-CD2 4.43Å; F728-Y751 HydrophobicContact CZ-CE1 4.04Å; F728-Y751 AromaticContact CZ-CG 3.48Å; F728-Y751 HydrophobicContact CZ-CG 3.48Å; F728-Y751 VanDerWaalsContact CZ-CG 3.48Å; C747-Y751 WeakPolarHBondContact O-CB 3.26Å; C747-Y751 PolarHBondContact O-N 3.04Å; E748-Y751 PolarHBondContact O-N 3.14Å; Y751-A753 PolarHBondContact O-N 3.3Å; Y751-V754 PolarHBondContact O-N 3.47Å; Y751-E755 HydrophobicContact CD1-CG 4.04Å; Y751-E755 HydrophobicContact CE1-CG 3.66Å; Y751-E755 HydrophobicContact CE2-CG 4.22Å; Y751-E755 HydrophobicContact CG-CG 4.48Å; Y751-E755 WeakPolarHBondContact O-CB 3.41Å; Y751-E755 VanDerWaalsContact O-CG 3.31Å; Y751-E755 WeakPolarHBondContact O-CG 3.4Å; Y751-E755 PolarHBondContact O-N 3.38Å; Y751-C779 HydrophobicContact CD2-CB 3.91Å; Y751-C779 HydrophobicContact CE2-CB 4.15Å; Y751-C779 WeakPolarHBondContact CE2-O 3.41Å; Y751-L780 HydrophobicContact CD2-CD2 3.53Å; Y751-L780 HydrophobicContact CD2-CG 3.99Å; Y751-L780 HydrophobicContact CE2-CD2 3.97Å; Y751-L780 HydrophobicContact CG-CD2 4.22Å; Y751-K782 WeakPolarHBondContact OH-CE 3.4Å; Y751-N783 PolarHBondContact OH-ND2 2.76Å |
| 752 | G | 76.7 | Confident | 70.3 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.8 | -49.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E748 V749 L750 E755 E756 | E748-G752 PolarHBondContact O-N 3.36Å; V749-G752 PolarHBondContact O-N 3.22Å; L750-G752 VanDerWaalsContact C-N 3.28Å; L750-G752 PolarHBondContact O-N 2.69Å; G752-E755 PolarHBondContact O-N 3.03Å; G752-E756 PolarHBondContact O-N 2.9Å |
| 753 | A | 72.6 | Confident | 71.7 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V749 L750 Y751 E755 E756 L757 | V749-A753 PolarHBondContact O-N 2.85Å; L750-A753 PolarHBondContact O-N 3.33Å; Y751-A753 PolarHBondContact O-N 3.3Å; A753-E755 VanDerWaalsContact C-N 3.32Å; A753-E755 PolarHBondContact O-N 3.26Å; A753-E756 PolarHBondContact O-N 3.11Å; A753-L757 WeakPolarHBondContact O-CB 3.36Å; A753-L757 PolarHBondContact O-N 2.78Å |
| 754 | V | 74.4 | Confident | 72.8 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 177.5 | -179 | 0 | 0 | 0 | 0 | 110.6 | L750 Y751 L757 R758 L780 Y784 V838 V840 I866 | L750-V754 WeakPolarHBondContact O-CB 3.27Å; L750-V754 WeakPolarHBondContact O-CG2 3.42Å; L750-V754 PolarHBondContact O-N 2.94Å; Y751-V754 PolarHBondContact O-N 3.47Å; V754-L757 WeakPolarHBondContact O-CB 3.28Å; V754-L757 PolarHBondContact O-N 3.34Å; V754-R758 WeakPolarHBondContact O-CB 3.39Å; V754-R758 PolarHBondContact O-N 2.62Å; V754-L780 HydrophobicContact CB-CD1 4.22Å; V754-L780 HydrophobicContact CB-CD2 3.72Å; V754-L780 HydrophobicContact CG1-CD1 3.81Å; V754-L780 HydrophobicContact CG1-CD2 3.59Å; V754-L780 HydrophobicContact CG1-CG 4.34Å; V754-L780 HydrophobicContact CG2-CD1 4.17Å; V754-L780 HydrophobicContact CG2-CD2 4.45Å; V754-Y784 WeakPolarHBondContact CG1-OH 3.35Å; V754-V838 HydrophobicContact CG1-CG1 4.29Å; V754-V840 HydrophobicContact CG1-CG2 4.47Å; V754-V840 HydrophobicContact CG2-CG2 4.18Å; V754-I866 HydrophobicContact CB-CD1 4.19Å; V754-I866 HydrophobicContact CG1-CD1 4.29Å; V754-I866 HydrophobicContact CG2-CD1 3.41Å; V754-I866 VanDerWaalsContact CG2-CD1 3.41Å |
| 755 | E | 79.3 | Confident | 73.9 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.1 | -38.8 | 176.9 | -78.8 | -57.6 | 130.9 | 0 | 0 | 112.9 | Y751 G752 A753 L757 R758 K759 L780 N783 | Y751-E755 HydrophobicContact CD1-CG 4.04Å; Y751-E755 HydrophobicContact CE1-CG 3.66Å; Y751-E755 HydrophobicContact CE2-CG 4.22Å; Y751-E755 HydrophobicContact CG-CG 4.48Å; Y751-E755 WeakPolarHBondContact O-CB 3.41Å; Y751-E755 VanDerWaalsContact O-CG 3.31Å; Y751-E755 WeakPolarHBondContact O-CG 3.4Å; Y751-E755 PolarHBondContact O-N 3.38Å; G752-E755 PolarHBondContact O-N 3.03Å; A753-E755 VanDerWaalsContact C-N 3.32Å; A753-E755 PolarHBondContact O-N 3.26Å; E755-L757 VanDerWaalsContact C-N 3.34Å; E755-R758 PolarHBondContact O-N 2.79Å; E755-R758 IonicContact OE1-NH1 2.75Å; E755-R758 IonicContact OE2-CZ 2.75Å; E755-R758 IonicContact OE2-NH1 3.33Å; E755-R758 PolarHBondContact OE2-NH1 2.89Å; E755-K759 WeakPolarHBondContact O-CB 3.34Å; E755-K759 VanDerWaalsContact O-CG 3.27Å; E755-K759 WeakPolarHBondContact O-CG 3.38Å; E755-K759 PolarHBondContact O-N 3.07Å; E755-L780 HydrophobicContact CG-CD2 4.46Å; E755-N783 VanDerWaalsContact OE1-CB 3.29Å; E755-N783 WeakPolarHBondContact OE1-CB 3.31Å; E755-N783 PolarHBondContact OE1-ND2 2.73Å; E755-N783 PolarHBondContact OE2-ND2 3.1Å |
| 756 | E | 79.1 | Confident | 75 | Confident | 142 Ų | 142 | 53.4 Ų | 53.4 | 66% | 0.664 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 171.6 | -77.5 | -167.4 | 151.1 | 0 | 0 | 111.8 | G752 A753 K759 S760 | G752-E756 PolarHBondContact O-N 2.9Å; A753-E756 PolarHBondContact O-N 3.11Å; E756-K759 PolarHBondContact O-N 2.89Å; E756-S760 WeakPolarHBondContact O-CB 3.45Å; E756-S760 PolarHBondContact O-N 2.98Å; E756-S760 PolarHBondContact O-OG 3.36Å |
| 757 | L | 72.1 | Confident | 75.8 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 172.9 | -97.8 | 151.2 | 0 | 0 | 0 | 111.6 | A753 V754 E755 K759 S760 T761 F864 I866 | A753-L757 WeakPolarHBondContact O-CB 3.36Å; A753-L757 PolarHBondContact O-N 2.78Å; V754-L757 WeakPolarHBondContact O-CB 3.28Å; V754-L757 PolarHBondContact O-N 3.34Å; E755-L757 VanDerWaalsContact C-N 3.34Å; L757-K759 PolarHBondContact O-N 2.98Å; L757-S760 WeakPolarHBondContact CA-OG 3.39Å; L757-S760 PolarHBondContact O-N 2.83Å; L757-S760 PolarHBondContact O-OG 3.1Å; L757-T761 HydrophobicContact CD2-CG2 4.48Å; L757-T761 VanDerWaalsContact O-CB 3.31Å; L757-T761 WeakPolarHBondContact O-CB 3.3Å; L757-T761 WeakPolarHBondContact O-CG2 3.27Å; L757-T761 PolarHBondContact O-N 3.11Å; L757-T761 VanDerWaalsContact O-N 3.08Å; L757-T761 PolarHBondContact O-OG1 3.39Å; L757-F864 HydrophobicContact CD2-CD1 3.44Å; L757-F864 VanDerWaalsContact CD2-CD1 3.44Å; L757-F864 HydrophobicContact CD2-CD2 4.11Å; L757-F864 HydrophobicContact CD2-CE1 3.5Å; L757-F864 HydrophobicContact CD2-CE2 4.19Å; L757-F864 HydrophobicContact CD2-CG 3.77Å; L757-F864 HydrophobicContact CD2-CZ 3.91Å; L757-I866 HydrophobicContact CD1-CD1 4.08Å |
| 758 | R | 77.3 | Confident | 76.2 | Confident | 66 Ų | 66 | 53 Ų | 53 | 25% | 0.249 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 176.7 | -179.4 | -169.5 | 151.7 | -126.6 | 0.2 | 111.5 | V754 E755 S760 T761 K762 N783 Y784 | V754-R758 WeakPolarHBondContact O-CB 3.39Å; V754-R758 PolarHBondContact O-N 2.62Å; E755-R758 PolarHBondContact O-N 2.79Å; E755-R758 IonicContact OE1-NH1 2.75Å; E755-R758 IonicContact OE2-CZ 2.75Å; E755-R758 IonicContact OE2-NH1 3.33Å; E755-R758 PolarHBondContact OE2-NH1 2.89Å; R758-S760 PolarHBondContact O-N 3.27Å; R758-T761 PolarHBondContact O-N 3.34Å; R758-K762 PolarHBondContact O-N 3.44Å; R758-N783 VanDerWaalsContact CZ-CB 3.46Å; R758-N783 PolarHBondContact NE-O 3.46Å; R758-N783 PolarHBondContact NH2-O 3.01Å; R758-Y784 HydrophobicContact CG-CE1 4.05Å |
| 759 | K | 80.4 | Confident | 76.3 | Confident | 156 Ų | 156 | 50.3 Ų | 50.3 | 68% | 0.678 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | -179.1 | -74.5 | 172.9 | -175.7 | 175.9 | 0 | 112.2 | E755 E756 L757 T761 | E755-K759 WeakPolarHBondContact O-CB 3.34Å; E755-K759 VanDerWaalsContact O-CG 3.27Å; E755-K759 WeakPolarHBondContact O-CG 3.38Å; E755-K759 PolarHBondContact O-N 3.07Å; E756-K759 PolarHBondContact O-N 2.89Å; L757-K759 PolarHBondContact O-N 2.98Å; K759-T761 VanDerWaalsContact C-N 3.34Å |
| 760 | S | 78.7 | Confident | 76.1 | Confident | 91 Ų | 91 | 48 Ų | 48 | 64% | 0.636 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -73.1 | -24.4 | -179.4 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | E756 L757 R758 | E756-S760 WeakPolarHBondContact O-CB 3.45Å; E756-S760 PolarHBondContact O-N 2.98Å; E756-S760 PolarHBondContact O-OG 3.36Å; L757-S760 WeakPolarHBondContact CA-OG 3.39Å; L757-S760 PolarHBondContact O-N 2.83Å; L757-S760 PolarHBondContact O-OG 3.1Å; R758-S760 PolarHBondContact O-N 3.27Å |
| 761 | T | 73.7 | Confident | 75.1 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -113 | -10.4 | -168.3 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | L757 R758 K759 V763 F864 | L757-T761 HydrophobicContact CD2-CG2 4.48Å; L757-T761 VanDerWaalsContact O-CB 3.31Å; L757-T761 WeakPolarHBondContact O-CB 3.3Å; L757-T761 WeakPolarHBondContact O-CG2 3.27Å; L757-T761 PolarHBondContact O-N 3.11Å; L757-T761 VanDerWaalsContact O-N 3.08Å; L757-T761 PolarHBondContact O-OG1 3.39Å; R758-T761 PolarHBondContact O-N 3.34Å; K759-T761 VanDerWaalsContact C-N 3.34Å; T761-V763 PolarHBondContact O-N 3.05Å; T761-V763 WeakPolarHBondContact OG1-CG2 3.46Å; T761-F864 HydrophobicContact CG2-CD2 4.31Å; T761-F864 HydrophobicContact CG2-CE1 4.37Å; T761-F864 HydrophobicContact CG2-CE2 3.21Å; T761-F864 HydrophobicContact CG2-CZ 3.25Å |
| 762 | K | 75.8 | Confident | 73.8 | Confident | 180 Ų | 180 | 48.1 Ų | 48.1 | 78% | 0.783 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.1 | -176.4 | -56.9 | -177 | -179.9 | -179.4 | 0 | 113.3 | R758 | R758-K762 PolarHBondContact O-N 3.44Š|
| 763 | V | 81.9 | Confident | 72.6 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | trans | -69.5 | 128.2 | 174.6 | 172.1 | 0 | 0 | 0 | 0 | 109.2 | T761 V765 Y784 K836 V838 F864 | T761-V763 PolarHBondContact O-N 3.05Å; T761-V763 WeakPolarHBondContact OG1-CG2 3.46Å; V763-V765 WeakPolarHBondContact CG1-O 3.4Å; V763-Y784 HydrophobicContact CB-CE1 4.42Å; V763-Y784 HydrophobicContact CG1-CD1 4.39Å; V763-Y784 HydrophobicContact CG1-CE1 3.79Å; V763-K836 VanDerWaalsContact CG1-O 3.31Å; V763-K836 WeakPolarHBondContact CG1-O 3.39Å; V763-K836 HydrophobicContact CG2-CB 4.08Å; V763-V838 HydrophobicContact CB-CG2 4.16Å; V763-V838 HydrophobicContact CG1-CB 3.96Å; V763-V838 HydrophobicContact CG1-CG2 3.72Å; V763-V838 HydrophobicContact CG2-CG2 4.03Å; V763-F864 HydrophobicContact CG2-CD2 4.42Å; V763-F864 HydrophobicContact CG2-CE2 4.45Å | ||
| 764 | E | 81.5 | Confident | 71.9 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | trans | -103.4 | -16.5 | -178.1 | -65.6 | -165.7 | 173.5 | 0 | 0 | 113.6 | K785 H786 | E764-K785 HydrophobicContact CB-CB 4.2Å; E764-K785 PolarHBondContact O-N 3.41Å; E764-K785 WeakPolarHBondContact OE2-CD 3.2Å; E764-K785 IonicContact OE2-NZ 2.99Å; E764-K785 PolarHBondContact OE2-NZ 2.87Å; E764-H786 PolarHBondContact O-N 3.22Å | ||
| 765 | V | 84.4 | Confident | 71.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.2 | -174.5 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | V763 L767 H786 I788 C837 V838 | V763-V765 WeakPolarHBondContact CG1-O 3.4Å; V765-L767 HydrophobicContact CG1-CD2 4.36Å; V765-H786 WeakPolarHBondContact CA-O 3.22Å; V765-H786 HydrophobicContact CG1-CB 4.33Å; V765-H786 HydrophobicContact CG2-CB 4.22Å; V765-I788 HydrophobicContact CG1-CD1 4.44Å; V765-C837 HydrophobicContact CB-CB 4.35Å; V765-C837 VanDerWaalsContact O-CA 3.27Å; V765-C837 WeakPolarHBondContact O-CA 3.36Å; V765-V838 PolarHBondContact O-N 2.72Å |
| 766 | L | 82.4 | Confident | 70.9 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.9 | 172.2 | 178.2 | 66 | 0 | 0 | 0 | 110.1 | L780 Y784 H786 V787 I788 V838 V840 | L766-L780 HydrophobicContact CD2-CB 3.67Å; L766-Y784 HydrophobicContact CB-CD1 3.79Å; L766-Y784 HydrophobicContact CB-CD2 3.83Å; L766-Y784 HydrophobicContact CB-CE1 4.18Å; L766-Y784 HydrophobicContact CB-CE2 4.23Å; L766-Y784 HydrophobicContact CB-CG 3.59Å; L766-Y784 HydrophobicContact CD1-CE2 4.31Å; L766-Y784 HydrophobicContact CD2-CD2 4.08Å; L766-Y784 HydrophobicContact CD2-CE2 4.3Å; L766-Y784 HydrophobicContact CG-CD2 4.42Å; L766-H786 PolarHBondContact N-O 2.9Å; L766-V787 HydrophobicContact CB-CG1 4.46Å; L766-V787 HydrophobicContact CB-CG2 4.31Å; L766-V787 HydrophobicContact CD2-CG1 4.25Å; L766-V787 WeakPolarHBondContact O-CA 3.45Å; L766-I788 PolarHBondContact O-N 2.91Å; L766-V838 HydrophobicContact CD1-CG1 3.98Å; L766-V840 HydrophobicContact CD1-CG2 4.46Å |
| 767 | L | 78.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 98.6 | 169.4 | -61.2 | -176.6 | 0 | 0 | 0 | 109.3 | V765 I788 V826 C837 V838 S839 V862 | V765-L767 HydrophobicContact CG1-CD2 4.36Å; L767-I788 HydrophobicContact CD2-CB 3.82Å; L767-I788 HydrophobicContact CD2-CD1 4.13Å; L767-I788 HydrophobicContact CD2-CG1 4.36Å; L767-I788 HydrophobicContact CD2-CG2 4.47Å; L767-V826 HydrophobicContact CD2-CG1 3.85Å; L767-C837 HydrophobicContact CD1-CB 4.09Å; L767-C837 HydrophobicContact CG-CB 4.07Å; L767-V838 PolarHBondContact N-O 3.24Å; L767-S839 WeakPolarHBondContact O-CA 3.37Å; L767-S839 PolarHBondContact O-OG 2.93Å; L767-S839 VanDerWaalsContact O-OG 3.07Å; L767-V862 HydrophobicContact CD1-CG2 3.63Å |
| 768 | D | 74.5 | Confident | 70.3 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 104.9 | 177.4 | -172.1 | 9.5 | 0 | 0 | 0 | 109.4 | C771 G777 I788 R789 I790 | D768-C771 VanDerWaalsContact CG-SG 3.51Å; D768-C771 PolarHBondContact O-SG 3.18Å; D768-G777 WeakPolarHBondContact OD2-CA 3.39Å; D768-I788 PolarHBondContact N-O 3.44Å; D768-R789 HydrophobicContact CB-CG 4.37Å; D768-R789 WeakPolarHBondContact O-CA 3.29Å; D768-I790 PolarHBondContact O-N 3.16Å |
| 769 | I | 68.8 | Low | 70.2 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.9 | -172.9 | -54 | -177.7 | 0 | 0 | 0 | 109.5 | R774 I790 L819 I823 S839 L841 L856 | I769-R774 PolarHBondContact O-NH1 2.9Å; I769-I790 HydrophobicContact CD1-CD1 4.31Å; I769-I790 HydrophobicContact CG1-CB 4.21Å; I769-I790 HydrophobicContact CG1-CD1 4.05Å; I769-I790 HydrophobicContact CG1-CG1 4.34Å; I769-I790 HydrophobicContact CG2-CB 4.42Å; I769-I790 HydrophobicContact CG2-CG2 4.42Å; I769-L819 HydrophobicContact CG2-CD1 4.33Å; I769-L819 HydrophobicContact CG2-CD2 4.15Å; I769-L819 HydrophobicContact CG2-CG 4.49Å; I769-I823 HydrophobicContact CD1-CD1 4.2Å; I769-I823 HydrophobicContact CD1-CG1 4.23Å; I769-S839 VanDerWaalsContact CD1-OG 3.3Å; I769-S839 WeakPolarHBondContact CD1-OG 2.92Å; I769-L841 HydrophobicContact CB-CD2 4.35Å; I769-L841 HydrophobicContact CD1-CD2 4.45Å; I769-L856 HydrophobicContact CD1-CD1 3.81Å; I769-L856 HydrophobicContact CD1-CD2 3.41Å; I769-L856 VanDerWaalsContact CD1-CD2 3.41Å; I769-L856 HydrophobicContact CD1-CG 4.19Å |
| 770 | C | 60.4 | Low | 70 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 68.4 | 52.4 | -174.6 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | G772 I790 | C770-G772 PolarHBondContact O-N 3.13Å; C770-I790 PolarHBondContact N-O 3.07Å |
| 771 | C | 49.3 | Very low | 69.9 | Low | 15 Ų | 15 | 32.5 Ų | 32.5 | 10% | 0.101 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -57.8 | -34.8 | -170.7 | -59.2 | 0 | 0 | 0 | 0 | 115.9 | D768 R773 R774 R789 E791 | D768-C771 VanDerWaalsContact CG-SG 3.51Å; D768-C771 PolarHBondContact O-SG 3.18Å; C771-R773 PolarHBondContact O-N 3.48Å; C771-R774 PolarHBondContact O-N 2.86Å; C771-R774 VanDerWaalsContact O-N 3.1Å; C771-R789 WeakPolarHBondContact SG-CB 3.36Å; C771-R789 WeakPolarHBondContact SG-CG 3.48Å; C771-E791 HydrophobicContact CB-CB 4.48Å |
| 772 | G | 47.7 | Very low | 70.1 | Confident | 39 Ų | 39 | 36.5 Ų | 36.5 | 40% | 0.402 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -59.4 | -0.2 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | C770 E791 | C770-G772 PolarHBondContact O-N 3.13Å; G772-E791 WeakPolarHBondContact CA-OE1 3.18Å; G772-E791 PolarHBondContact N-OE1 2.65Å; G772-E791 PolarHBondContact N-OE2 3.12Å |
| 773 | R | 50.7 | Low | 70.5 | Confident | 146 Ų | 146 | 29.8 Ų | 29.8 | 55% | 0.551 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -139.7 | 9 | 179.3 | -59.1 | -172.1 | -176.2 | -172.7 | 1.4 | 115.3 | C771 | C771-R773 PolarHBondContact O-N 3.48Š|
| 774 | R | 59.7 | Low | 70.5 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | trans | -122.9 | 93.9 | -165.5 | -60.2 | -179.9 | -177.5 | 174.1 | 15.5 | 113 | I769 C771 L776 G777 V840 I842 | I769-R774 PolarHBondContact O-NH1 2.9Å; C771-R774 PolarHBondContact O-N 2.86Å; C771-R774 VanDerWaalsContact O-N 3.1Å; R774-L776 PolarHBondContact O-N 3.41Å; R774-L776 VanDerWaalsContact O-N 3.16Å; R774-G777 PolarHBondContact O-N 2.98Å; R774-V840 PolarHBondContact NH1-O 3.44Å; R774-I842 HydrophobicContact CB-CD1 4.3Å; R774-I842 HydrophobicContact CG-CD1 4.01Å; R774-I842 VanDerWaalsContact CZ-O 3.25Å; R774-I842 VanDerWaalsContact NH1-N 3.17Å; R774-I842 PolarHBondContact NH2-O 2.83Å | ||
| 775 | A | 63.5 | Low | 70.5 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.9 | -34.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L727 F732 F740 G777 L778 C779 | L727-A775 HydrophobicContact CD1-CB 4.25Å; F732-A775 HydrophobicContact CD1-CB 4.14Å; F732-A775 HydrophobicContact CD2-CB 4.5Å; F732-A775 HydrophobicContact CE1-CB 3.66Å; F732-A775 HydrophobicContact CE2-CB 4.09Å; F732-A775 HydrophobicContact CZ-CB 3.64Å; F740-A775 HydrophobicContact CD1-CB 3.64Å; F740-A775 HydrophobicContact CE1-CB 3.14Å; F740-A775 HydrophobicContact CZ-CB 3.82Å; A775-G777 VanDerWaalsContact C-N 3.32Å; A775-G777 PolarHBondContact O-N 3.05Å; A775-L778 WeakPolarHBondContact O-CB 3.33Å; A775-L778 PolarHBondContact O-N 3.05Å; A775-L778 VanDerWaalsContact O-N 3.16Å; A775-C779 PolarHBondContact O-N 3.43Å; A775-C779 PolarHBondContact O-SG 2.9Å |
| 776 | L | 67.8 | Low | 70.5 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.4 | -42.4 | -175.6 | -177.7 | 60.3 | 0 | 0 | 0 | 112.8 | C747 L750 R774 L778 C779 L780 V840 I842 | C747-L776 WeakPolarHBondContact O-CD1 3.43Å; L750-L776 HydrophobicContact CB-CD1 4.45Å; L750-L776 HydrophobicContact CB-CD2 3.91Å; L750-L776 HydrophobicContact CD1-CD2 4.3Å; R774-L776 PolarHBondContact O-N 3.41Å; R774-L776 VanDerWaalsContact O-N 3.16Å; L776-L778 VanDerWaalsContact C-N 3.34Å; L776-L778 PolarHBondContact O-N 3.19Å; L776-C779 PolarHBondContact O-N 3.27Å; L776-L780 HydrophobicContact CD1-CD1 4.11Å; L776-L780 HydrophobicContact CD1-CG 4.16Å; L776-L780 HydrophobicContact CG-CD1 3.87Å; L776-L780 HydrophobicContact CG-CG 4.37Å; L776-L780 WeakPolarHBondContact O-CB 3.38Å; L776-L780 VanDerWaalsContact O-CG 3.29Å; L776-L780 WeakPolarHBondContact O-CG 3.46Å; L776-L780 PolarHBondContact O-N 3.49Å; L776-V840 HydrophobicContact CD2-CG1 4.12Å; L776-I842 HydrophobicContact CD2-CD1 4.27Å |
| 777 | G | 69.4 | Low | 70.4 | Confident | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D768 R774 A775 L780 A781 | D768-G777 WeakPolarHBondContact OD2-CA 3.39Å; R774-G777 PolarHBondContact O-N 2.98Å; A775-G777 VanDerWaalsContact C-N 3.32Å; A775-G777 PolarHBondContact O-N 3.05Å; G777-L780 PolarHBondContact O-N 2.98Å; G777-A781 WeakPolarHBondContact O-CB 3.31Å; G777-A781 PolarHBondContact O-N 2.72Å |
| 778 | L | 70.2 | Confident | 70.4 | Confident | 72 Ų | 72 | 39.1 Ų | 39.1 | 38% | 0.377 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66 | -40.9 | 172.7 | -91.7 | 156 | 0 | 0 | 0 | 112.6 | F732 A775 L776 A781 | F732-L778 HydrophobicContact CD1-CD1 4.42Å; F732-L778 HydrophobicContact CE1-CB 3.8Å; F732-L778 HydrophobicContact CE1-CD1 3.75Å; F732-L778 HydrophobicContact CE1-CG 4.38Å; F732-L778 HydrophobicContact CZ-CB 4.01Å; A775-L778 WeakPolarHBondContact O-CB 3.33Å; A775-L778 PolarHBondContact O-N 3.05Å; A775-L778 VanDerWaalsContact O-N 3.16Å; L776-L778 VanDerWaalsContact C-N 3.34Å; L776-L778 PolarHBondContact O-N 3.19Å; L778-A781 WeakPolarHBondContact O-CB 3.32Å; L778-A781 PolarHBondContact O-N 3.26Å |
| 779 | C | 74.1 | Confident | 70.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 175.2 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | F728 Y751 A775 L776 A781 K782 | F728-C779 HydrophobicContact CD2-CB 4.1Å; Y751-C779 HydrophobicContact CD2-CB 3.91Å; Y751-C779 HydrophobicContact CE2-CB 4.15Å; Y751-C779 WeakPolarHBondContact CE2-O 3.41Å; A775-C779 PolarHBondContact O-N 3.43Å; A775-C779 PolarHBondContact O-SG 2.9Å; L776-C779 PolarHBondContact O-N 3.27Å; C779-A781 VanDerWaalsContact C-N 3.32Å; C779-A781 PolarHBondContact O-N 3.36Å; C779-K782 WeakPolarHBondContact O-CG 3.37Å |
| 780 | L | 76.6 | Confident | 70.6 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -34.1 | 177.5 | -69.7 | 169.1 | 0 | 0 | 0 | 111.9 | Y751 V754 E755 L766 L776 G777 K782 N783 Y784 V840 | Y751-L780 HydrophobicContact CD2-CD2 3.53Å; Y751-L780 HydrophobicContact CD2-CG 3.99Å; Y751-L780 HydrophobicContact CE2-CD2 3.97Å; Y751-L780 HydrophobicContact CG-CD2 4.22Å; V754-L780 HydrophobicContact CB-CD1 4.22Å; V754-L780 HydrophobicContact CB-CD2 3.72Å; V754-L780 HydrophobicContact CG1-CD1 3.81Å; V754-L780 HydrophobicContact CG1-CD2 3.59Å; V754-L780 HydrophobicContact CG1-CG 4.34Å; V754-L780 HydrophobicContact CG2-CD1 4.17Å; V754-L780 HydrophobicContact CG2-CD2 4.45Å; E755-L780 HydrophobicContact CG-CD2 4.46Å; L766-L780 HydrophobicContact CD2-CB 3.67Å; L776-L780 HydrophobicContact CD1-CD1 4.11Å; L776-L780 HydrophobicContact CD1-CG 4.16Å; L776-L780 HydrophobicContact CG-CD1 3.87Å; L776-L780 HydrophobicContact CG-CG 4.37Å; L776-L780 WeakPolarHBondContact O-CB 3.38Å; L776-L780 VanDerWaalsContact O-CG 3.29Å; L776-L780 WeakPolarHBondContact O-CG 3.46Å; L776-L780 PolarHBondContact O-N 3.49Å; G777-L780 PolarHBondContact O-N 2.98Å; L780-K782 PolarHBondContact O-N 3.09Å; L780-N783 WeakPolarHBondContact O-CB 3.48Å; L780-N783 PolarHBondContact O-N 2.96Å; L780-Y784 HydrophobicContact CB-CE2 4.2Å; L780-Y784 VanDerWaalsContact O-CD2 3.31Å; L780-Y784 WeakPolarHBondContact O-CD2 3.45Å; L780-V840 HydrophobicContact CD1-CG2 4.12Å |
| 781 | A | 77.1 | Confident | 70.8 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -51.1 | -35.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | G777 L778 C779 N783 Y784 V787 | G777-A781 WeakPolarHBondContact O-CB 3.31Å; G777-A781 PolarHBondContact O-N 2.72Å; L778-A781 WeakPolarHBondContact O-CB 3.32Å; L778-A781 PolarHBondContact O-N 3.26Å; C779-A781 VanDerWaalsContact C-N 3.32Å; C779-A781 PolarHBondContact O-N 3.36Å; A781-N783 PolarHBondContact O-N 2.59Å; A781-Y784 PolarHBondContact O-N 2.92Å; A781-V787 HydrophobicContact CB-CB 4.48Å; A781-V787 HydrophobicContact CB-CG1 4.28Å; A781-V787 HydrophobicContact CB-CG2 3.71Å |
| 782 | K | 78.2 | Confident | 71.2 | Confident | 110 Ų | 110 | 48.1 Ų | 48.1 | 48% | 0.478 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.8 | -179 | 74.7 | -171 | 175.3 | 177.1 | 0 | 114.3 | F728 Y751 C779 L780 | F728-K782 PolarHBondContact O-NZ 2.95Å; F728-K782 VanDerWaalsContact O-NZ 3.11Å; Y751-K782 WeakPolarHBondContact OH-CE 3.4Å; C779-K782 WeakPolarHBondContact O-CG 3.37Å; L780-K782 PolarHBondContact O-N 3.09Å |
| 783 | N | 82.6 | Confident | 71.5 | Confident | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -16.6 | -173.4 | -77.1 | -29.8 | 0 | 0 | 0 | 112.8 | Y751 E755 R758 L780 A781 | Y751-N783 PolarHBondContact OH-ND2 2.76Å; E755-N783 VanDerWaalsContact OE1-CB 3.29Å; E755-N783 WeakPolarHBondContact OE1-CB 3.31Å; E755-N783 PolarHBondContact OE1-ND2 2.73Å; E755-N783 PolarHBondContact OE2-ND2 3.1Å; R758-N783 VanDerWaalsContact CZ-CB 3.46Å; R758-N783 PolarHBondContact NE-O 3.46Å; R758-N783 PolarHBondContact NH2-O 3.01Å; L780-N783 WeakPolarHBondContact O-CB 3.48Å; L780-N783 PolarHBondContact O-N 2.96Å; A781-N783 PolarHBondContact O-N 2.59Å |
| 784 | Y | 83.2 | Confident | 71.1 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | trans | -98.3 | 145.6 | 179.9 | -69.9 | -98 | 0 | 0 | 0 | 110.4 | V754 R758 V763 L766 L780 A781 V838 | V754-Y784 WeakPolarHBondContact CG1-OH 3.35Å; R758-Y784 HydrophobicContact CG-CE1 4.05Å; V763-Y784 HydrophobicContact CB-CE1 4.42Å; V763-Y784 HydrophobicContact CG1-CD1 4.39Å; V763-Y784 HydrophobicContact CG1-CE1 3.79Å; L766-Y784 HydrophobicContact CB-CD1 3.79Å; L766-Y784 HydrophobicContact CB-CD2 3.83Å; L766-Y784 HydrophobicContact CB-CE1 4.18Å; L766-Y784 HydrophobicContact CB-CE2 4.23Å; L766-Y784 HydrophobicContact CB-CG 3.59Å; L766-Y784 HydrophobicContact CD1-CE2 4.31Å; L766-Y784 HydrophobicContact CD2-CD2 4.08Å; L766-Y784 HydrophobicContact CD2-CE2 4.3Å; L766-Y784 HydrophobicContact CG-CD2 4.42Å; L780-Y784 HydrophobicContact CB-CE2 4.2Å; L780-Y784 VanDerWaalsContact O-CD2 3.31Å; L780-Y784 WeakPolarHBondContact O-CD2 3.45Å; A781-Y784 PolarHBondContact O-N 2.92Å; Y784-V838 HydrophobicContact CE1-CB 4.38Å | ||
| 785 | K | 82 | Confident | 70.4 | Confident | 137 Ų | 137 | 58.6 Ų | 58.6 | 60% | 0.596 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -71.8 | -36.1 | 179.6 | -169 | -174.2 | -175.8 | -175.4 | 0 | 111.1 | E764 | E764-K785 HydrophobicContact CB-CB 4.2Å; E764-K785 PolarHBondContact O-N 3.41Å; E764-K785 WeakPolarHBondContact OE2-CD 3.2Å; E764-K785 IonicContact OE2-NZ 2.99Å; E764-K785 PolarHBondContact OE2-NZ 2.87Å |
| 786 | H | 83.3 | Confident | 69.6 | Low | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.7 | 173 | -58.1 | -69.7 | 0 | 0 | 0 | 110.2 | E764 V765 L766 | E764-H786 PolarHBondContact O-N 3.22Å; V765-H786 WeakPolarHBondContact CA-O 3.22Å; V765-H786 HydrophobicContact CG1-CB 4.33Å; V765-H786 HydrophobicContact CG2-CB 4.22Å; L766-H786 PolarHBondContact N-O 2.9Å |
| 787 | V | 81.1 | Confident | 68.5 | Low | 48 Ų | 48 | 62.5 Ų | 62.5 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.9 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | L766 A781 R789 | L766-V787 HydrophobicContact CB-CG1 4.46Å; L766-V787 HydrophobicContact CB-CG2 4.31Å; L766-V787 HydrophobicContact CD2-CG1 4.25Å; L766-V787 WeakPolarHBondContact O-CA 3.45Å; A781-V787 HydrophobicContact CB-CB 4.48Å; A781-V787 HydrophobicContact CB-CG1 4.28Å; A781-V787 HydrophobicContact CB-CG2 3.71Å; V787-R789 HydrophobicContact CG1-CG 4.45Å |
| 788 | I | 78.6 | Confident | 67.4 | Low | 25 Ų | 25 | 70.1 Ų | 70.1 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.7 | 178.3 | -55.7 | 179.1 | 0 | 0 | 0 | 108.1 | V765 L766 L767 D768 I790 V826 L829 V832 | V765-I788 HydrophobicContact CG1-CD1 4.44Å; L766-I788 PolarHBondContact O-N 2.91Å; L767-I788 HydrophobicContact CD2-CB 3.82Å; L767-I788 HydrophobicContact CD2-CD1 4.13Å; L767-I788 HydrophobicContact CD2-CG1 4.36Å; L767-I788 HydrophobicContact CD2-CG2 4.47Å; D768-I788 PolarHBondContact N-O 3.44Å; I788-I790 HydrophobicContact CG2-CG1 4.39Å; I788-V826 HydrophobicContact CB-CG1 4.39Å; I788-V826 HydrophobicContact CD1-CG1 4.01Å; I788-V826 HydrophobicContact CG2-CG1 3.71Å; I788-V826 HydrophobicContact CG2-CG2 4.1Å; I788-L829 HydrophobicContact CD1-CD1 4.08Å; I788-V832 HydrophobicContact CD1-CG2 3.02Å; I788-V832 HydrophobicContact CG1-CG2 4.46Å |
| 789 | R | 75.5 | Confident | 66.3 | Low | 136 Ų | 136 | 71.6 Ų | 71.6 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.7 | 180 | -72.2 | -168.4 | -179 | 150.4 | 10.7 | 109.5 | D768 C771 V787 | D768-R789 HydrophobicContact CB-CG 4.37Å; D768-R789 WeakPolarHBondContact O-CA 3.29Å; C771-R789 WeakPolarHBondContact SG-CB 3.36Å; C771-R789 WeakPolarHBondContact SG-CG 3.48Å; V787-R789 HydrophobicContact CG1-CG 4.45Å |
| 790 | I | 71.9 | Confident | 65 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 105.6 | 177.9 | -52.4 | -169.8 | 0 | 0 | 0 | 106.8 | D768 I769 C770 I788 L819 L822 I823 V826 | D768-I790 PolarHBondContact O-N 3.16Å; I769-I790 HydrophobicContact CD1-CD1 4.31Å; I769-I790 HydrophobicContact CG1-CB 4.21Å; I769-I790 HydrophobicContact CG1-CD1 4.05Å; I769-I790 HydrophobicContact CG1-CG1 4.34Å; I769-I790 HydrophobicContact CG2-CB 4.42Å; I769-I790 HydrophobicContact CG2-CG2 4.42Å; C770-I790 PolarHBondContact N-O 3.07Å; I788-I790 HydrophobicContact CG2-CG1 4.39Å; I790-L819 HydrophobicContact CG2-CD1 4.2Å; I790-L822 HydrophobicContact CG2-CB 4.11Å; I790-L822 HydrophobicContact CG2-CD2 3.52Å; I790-L822 HydrophobicContact CG2-CG 4.24Å; I790-I823 HydrophobicContact CD1-CG1 4.15Å; I790-I823 HydrophobicContact CG2-CG1 4.47Å; I790-V826 HydrophobicContact CD1-CB 4.05Å; I790-V826 HydrophobicContact CD1-CG1 4.05Å; I790-V826 HydrophobicContact CD1-CG2 3.82Å; I790-V826 HydrophobicContact CG1-CG2 4.06Å |
| 791 | E | 65.3 | Low | 63.5 | Low | 93 Ų | 93 | 78.4 Ų | 78.4 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | trans | -138.2 | 142.7 | 179.7 | -174.3 | 169.2 | -169.8 | 0 | 0 | 111.1 | C771 G772 | C771-E791 HydrophobicContact CB-CB 4.48Å; G772-E791 WeakPolarHBondContact CA-OE1 3.18Å; G772-E791 PolarHBondContact N-OE1 2.65Å; G772-E791 PolarHBondContact N-OE2 3.12Å | ||
| 792 | L | 57.8 | Low | 62.3 | Low | 23 Ų | 23 | 80.1 Ų | 80.1 | 12% | 0.12 | 39% | 0.389 | C | S | . | . | trans | -88.3 | 110.3 | 167.6 | -73.7 | 165.7 | 0 | 0 | 0 | 108.6 | A796 F815 K818 L819 | L792-A796 HydrophobicContact CD2-CB 4.38Å; L792-F815 HydrophobicContact CD1-CD2 3.63Å; L792-F815 HydrophobicContact CD1-CE2 3.45Å; L792-F815 VanDerWaalsContact CD1-CE2 3.45Å; L792-F815 HydrophobicContact CD1-CG 4.33Å; L792-F815 HydrophobicContact CD1-CZ 4.02Å; L792-K818 HydrophobicContact CD1-CB 4.43Å; L792-K818 HydrophobicContact CD2-CB 4.17Å; L792-L819 HydrophobicContact CD1-CD1 4.43Å | ||
| 793 | V | 52.2 | Low | 60.9 | Low | 99 Ų | 99 | 77.9 Ų | 77.9 | 60% | 0.6 | 38% | 0.382 | S | S | * | . | trans | -64 | 151.7 | -178.9 | -151.2 | 0 | 0 | 0 | 0 | 110.6 | E795 A796 I797 | V793-E795 PolarHBondContact O-N 3.39Å; V793-A796 WeakPolarHBondContact O-CA 3.35Å; V793-A796 VanDerWaalsContact O-CB 3.32Å; V793-A796 WeakPolarHBondContact O-CB 3.31Å; V793-A796 PolarHBondContact O-N 2.89Å; V793-I797 PolarHBondContact O-N 3.43Å | ||
| 794 | K | 44.3 | Very low | 59.4 | Low | 176 Ų | 176 | 76.5 Ų | 76.5 | 77% | 0.765 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -48.1 | -36 | -177.9 | -106.3 | -178.3 | 177.7 | 177.8 | 0 | 114.7 | I797 K798 | K794-I797 WeakPolarHBondContact O-CB 3.45Å; K794-I797 PolarHBondContact O-N 2.77Å; K794-K798 PolarHBondContact O-N 3.2Å |
| 795 | E | 43.7 | Very low | 57.9 | Low | 150 Ų | 150 | 80.2 Ų | 80.2 | 70% | 0.701 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.8 | -41.1 | 177.9 | -74.3 | 158 | 166.1 | 0 | 0 | 111.5 | V793 I797 K798 D799 | V793-E795 PolarHBondContact O-N 3.39Å; E795-I797 VanDerWaalsContact C-N 3.27Å; E795-I797 PolarHBondContact O-N 2.94Å; E795-K798 PolarHBondContact O-N 2.83Å; E795-K798 VanDerWaalsContact O-N 3.14Å; E795-D799 PolarHBondContact O-N 3.44Å; E795-D799 VanDerWaalsContact O-N 3.09Å |
| 796 | A | 46.3 | Very low | 56.4 | Low | 33 Ų | 33 | 77.2 Ų | 77.2 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L792 V793 D799 V800 | L792-A796 HydrophobicContact CD2-CB 4.38Å; V793-A796 WeakPolarHBondContact O-CA 3.35Å; V793-A796 VanDerWaalsContact O-CB 3.32Å; V793-A796 WeakPolarHBondContact O-CB 3.31Å; V793-A796 PolarHBondContact O-N 2.89Å; A796-D799 PolarHBondContact O-N 3.12Å; A796-V800 VanDerWaalsContact O-CB 3.3Å; A796-V800 WeakPolarHBondContact O-CB 3.35Å; A796-V800 WeakPolarHBondContact O-CG2 3.48Å; A796-V800 PolarHBondContact O-N 2.91Å |
| 797 | I | 45.4 | Very low | 54.7 | Low | 55 Ų | 55 | 78.7 Ų | 78.7 | 28% | 0.282 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 176 | -60.5 | 175 | 0 | 0 | 0 | 111.6 | V793 K794 E795 K801 | V793-I797 PolarHBondContact O-N 3.43Å; K794-I797 WeakPolarHBondContact O-CB 3.45Å; K794-I797 PolarHBondContact O-N 2.77Å; E795-I797 VanDerWaalsContact C-N 3.27Å; E795-I797 PolarHBondContact O-N 2.94Å; I797-K801 PolarHBondContact O-N 3.17Å |
| 798 | K | 46.2 | Very low | 53.3 | Low | 164 Ų | 164 | 85.6 Ų | 85.6 | 71% | 0.713 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.6 | -46 | 174.5 | -77.2 | -174.3 | 175.9 | -177.7 | 0 | 111.1 | K794 E795 V800 K801 A802 | K794-K798 PolarHBondContact O-N 3.2Å; E795-K798 PolarHBondContact O-N 2.83Å; E795-K798 VanDerWaalsContact O-N 3.14Å; K798-V800 VanDerWaalsContact C-N 3.33Å; K798-V800 PolarHBondContact O-N 3.39Å; K798-K801 PolarHBondContact O-N 2.69Å; K798-A802 PolarHBondContact O-N 3.37Å |
| 799 | D | 47.2 | Very low | 51.7 | Low | 104 Ų | 104 | 86.5 Ų | 86.5 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.5 | -39.2 | 174.7 | -85.2 | -2.7 | 0 | 0 | 0 | 112.3 | E795 A796 K801 A802 N803 | E795-D799 PolarHBondContact O-N 3.44Å; E795-D799 VanDerWaalsContact O-N 3.09Å; A796-D799 PolarHBondContact O-N 3.12Å; D799-K801 VanDerWaalsContact C-N 3.34Å; D799-K801 PolarHBondContact O-N 3.28Å; D799-A802 PolarHBondContact O-N 3.49Å; D799-N803 VanDerWaalsContact O-CB 3.28Å; D799-N803 WeakPolarHBondContact O-CB 3.05Å; D799-N803 PolarHBondContact O-N 3.3Å; D799-N803 PolarHBondContact O-ND2 3.11Å |
| 800 | V | 47.1 | Very low | 50.7 | Low | 4 Ų | 4 | 84.9 Ų | 84.9 | 2% | 0.024 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.4 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | A796 K798 A804 Y811 Y814 | A796-V800 VanDerWaalsContact O-CB 3.3Å; A796-V800 WeakPolarHBondContact O-CB 3.35Å; A796-V800 WeakPolarHBondContact O-CG2 3.48Å; A796-V800 PolarHBondContact O-N 2.91Å; K798-V800 VanDerWaalsContact C-N 3.33Å; K798-V800 PolarHBondContact O-N 3.39Å; V800-A804 WeakPolarHBondContact O-CB 3.4Å; V800-A804 PolarHBondContact O-N 3.25Å; V800-Y811 HydrophobicContact CB-CE2 4.48Å; V800-Y811 HydrophobicContact CG1-CD2 3.68Å; V800-Y811 HydrophobicContact CG1-CE2 3.64Å; V800-Y814 HydrophobicContact CB-CD1 4.07Å; V800-Y814 HydrophobicContact CB-CE1 4.23Å; V800-Y814 HydrophobicContact CG1-CD1 3.72Å; V800-Y814 HydrophobicContact CG1-CE1 4.38Å; V800-Y814 HydrophobicContact CG2-CD1 3.7Å; V800-Y814 HydrophobicContact CG2-CE1 3.61Å |
| 801 | K | 45.6 | Very low | 49.6 | Very low | 140 Ų | 140 | 88.9 Ų | 88.9 | 61% | 0.609 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 176 | -78.8 | -172.7 | 175.5 | -172.9 | 0 | 111.8 | I797 K798 D799 S805 Y811 | I797-K801 PolarHBondContact O-N 3.17Å; K798-K801 PolarHBondContact O-N 2.69Å; D799-K801 VanDerWaalsContact C-N 3.34Å; D799-K801 PolarHBondContact O-N 3.28Å; K801-S805 PolarHBondContact O-N 3.36Å; K801-S805 PolarHBondContact O-OG 3.48Å; K801-Y811 HydrophobicContact CG-CD2 4.07Å; K801-Y811 HydrophobicContact CG-CE2 3.92Å |
| 802 | A | 51.7 | Low | 48.9 | Very low | 56 Ų | 56 | 87.4 Ų | 87.4 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K798 D799 S805 A806 | K798-A802 PolarHBondContact O-N 3.37Å; D799-A802 PolarHBondContact O-N 3.49Å; A802-S805 PolarHBondContact O-OG 2.99Å; A802-A806 PolarHBondContact O-N 3.39Å |
| 803 | N | 49.2 | Very low | 48.8 | Very low | 63 Ų | 63 | 90.1 Ų | 90.1 | 34% | 0.337 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.9 | -32.2 | -178.2 | -71.1 | -46.7 | 0 | 0 | 0 | 113.5 | D799 S805 A806 N807 | D799-N803 VanDerWaalsContact O-CB 3.28Å; D799-N803 WeakPolarHBondContact O-CB 3.05Å; D799-N803 PolarHBondContact O-N 3.3Å; D799-N803 PolarHBondContact O-ND2 3.11Å; N803-S805 VanDerWaalsContact C-N 3.27Å; N803-S805 PolarHBondContact O-N 2.91Å; N803-A806 PolarHBondContact O-N 3.08Å; N803-A806 VanDerWaalsContact O-N 3.09Å; N803-N807 PolarHBondContact O-N 3.03Å |
| 804 | A | 49.8 | Very low | 49 | Very low | 11 Ų | 11 | 87.6 Ų | 87.6 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | V800 A806 E808 M809 | V800-A804 WeakPolarHBondContact O-CB 3.4Å; V800-A804 PolarHBondContact O-N 3.25Å; A804-A806 VanDerWaalsContact C-N 3.34Å; A804-E808 PolarHBondContact O-N 3.49Å; A804-M809 WeakPolarHBondContact CB-O 3.47Å; A804-M809 PolarHBondContact O-N 3.37Å |
| 805 | S | 52.3 | Low | 49.9 | Very low | 94 Ų | 94 | 81.9 Ų | 81.9 | 66% | 0.657 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.4 | -29.6 | 172.5 | 29.5 | 0 | 0 | 0 | 0 | 113.9 | K801 A802 N803 | K801-S805 PolarHBondContact O-N 3.36Å; K801-S805 PolarHBondContact O-OG 3.48Å; A802-S805 PolarHBondContact O-OG 2.99Å; N803-S805 VanDerWaalsContact C-N 3.27Å; N803-S805 PolarHBondContact O-N 2.91Å |
| 806 | A | 50 | Low | 50.8 | Low | 74 Ų | 74 | 75.3 Ų | 75.3 | 61% | 0.612 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -78.1 | -29.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A802 N803 A804 | A802-A806 PolarHBondContact O-N 3.39Å; N803-A806 PolarHBondContact O-N 3.08Å; N803-A806 VanDerWaalsContact O-N 3.09Å; A804-A806 VanDerWaalsContact C-N 3.34Å |
| 807 | N | 47.8 | Very low | 51.7 | Low | 104 Ų | 104 | 80 Ų | 80 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 10.8 | -173.2 | -72.7 | -12.6 | 0 | 0 | 0 | 114.3 | N803 M809 | N803-N807 PolarHBondContact O-N 3.03Å; N807-M809 PolarHBondContact O-N 2.97Å |
| 808 | E | 51.9 | Low | 52.8 | Low | 192 Ų | 192 | 82.2 Ų | 82.2 | 90% | 0.897 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 19.7 | -174 | -61.6 | -173.4 | 159.2 | 0 | 0 | 114.4 | A804 | A804-E808 PolarHBondContact O-N 3.49Š|
| 809 | M | 45.7 | Very low | 53.9 | Low | 44 Ų | 44 | 74.7 Ų | 74.7 | 22% | 0.217 | 39% | 0.389 | C | S | . | . | trans | -88.2 | 139.1 | 177.9 | -90.3 | -176.9 | 74.6 | 0 | 0 | 110.5 | A804 N807 Y811 E813 | A804-M809 WeakPolarHBondContact CB-O 3.47Å; A804-M809 PolarHBondContact O-N 3.37Å; N807-M809 PolarHBondContact O-N 2.97Å; M809-Y811 PolarHBondContact O-N 2.96Å; M809-E813 HydrophobicContact CE-CB 4.06Å; M809-E813 HydrophobicContact CE-CG 3.71Å | ||
| 810 | N | 52.8 | Low | 55 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | trans | -60.2 | 131 | 171.2 | -178.8 | -18.3 | 0 | 0 | 0 | 110.3 | C812 E813 Y814 | N810-C812 PolarHBondContact O-N 2.74Å; N810-C812 VanDerWaalsContact O-N 3.09Å; N810-C812 PolarHBondContact OD1-N 3.17Å; N810-E813 HydrophobicContact CB-CB 4.49Å; N810-E813 PolarHBondContact O-N 3.32Å; N810-Y814 PolarHBondContact O-N 3.45Å | ||
| 811 | Y | 48.8 | Very low | 56.2 | Low | 85 Ų | 85 | 76.2 Ų | 76.2 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -44.2 | -42.5 | 174.8 | 173.2 | -92 | 0 | 0 | 0 | 113.1 | V800 K801 M809 E813 F815 | V800-Y811 HydrophobicContact CB-CE2 4.48Å; V800-Y811 HydrophobicContact CG1-CD2 3.68Å; V800-Y811 HydrophobicContact CG1-CE2 3.64Å; K801-Y811 HydrophobicContact CG-CD2 4.07Å; K801-Y811 HydrophobicContact CG-CE2 3.92Å; M809-Y811 PolarHBondContact O-N 2.96Å; Y811-E813 PolarHBondContact O-N 2.63Å; Y811-F815 WeakPolarHBondContact O-CB 3.19Å; Y811-F815 PolarHBondContact O-N 3.41Å |
| 812 | C | 51.7 | Low | 57.6 | Low | 62 Ų | 62 | 72.5 Ų | 72.5 | 42% | 0.419 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 179.3 | -70.5 | 0 | 0 | 0 | 0 | 112 | N810 C816 | N810-C812 PolarHBondContact O-N 2.74Å; N810-C812 VanDerWaalsContact O-N 3.09Å; N810-C812 PolarHBondContact OD1-N 3.17Å; C812-C816 PolarHBondContact O-N 3.29Å; C812-C816 PolarHBondContact O-SG 3.2Å |
| 813 | E | 54.5 | Low | 58.6 | Low | 79 Ų | 79 | 69.9 Ų | 69.9 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.5 | -44.3 | -176.9 | -170.9 | 173.9 | -169.1 | 0 | 0 | 111.7 | M809 N810 Y811 F815 C816 R817 K851 | M809-E813 HydrophobicContact CE-CB 4.06Å; M809-E813 HydrophobicContact CE-CG 3.71Å; N810-E813 HydrophobicContact CB-CB 4.49Å; N810-E813 PolarHBondContact O-N 3.32Å; Y811-E813 PolarHBondContact O-N 2.63Å; E813-F815 VanDerWaalsContact C-N 3.34Å; E813-F815 PolarHBondContact O-N 3.08Å; E813-C816 PolarHBondContact O-N 3.06Å; E813-R817 PolarHBondContact O-N 3.34Å; E813-K851 IonicContact OE1-NZ 3.16Å; E813-K851 PolarHBondContact OE1-NZ 3.26Å; E813-K851 VanDerWaalsContact OE1-NZ 3.11Å |
| 814 | Y | 58.1 | Low | 59.8 | Low | 47 Ų | 47 | 70.4 Ų | 70.4 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.7 | -171.7 | -83.8 | 0 | 0 | 0 | 111.6 | V800 N810 C816 R817 K818 | V800-Y814 HydrophobicContact CB-CD1 4.07Å; V800-Y814 HydrophobicContact CB-CE1 4.23Å; V800-Y814 HydrophobicContact CG1-CD1 3.72Å; V800-Y814 HydrophobicContact CG1-CE1 4.38Å; V800-Y814 HydrophobicContact CG2-CD1 3.7Å; V800-Y814 HydrophobicContact CG2-CE1 3.61Å; N810-Y814 PolarHBondContact O-N 3.45Å; Y814-C816 VanDerWaalsContact C-N 3.32Å; Y814-C816 PolarHBondContact O-N 3.08Å; Y814-R817 PolarHBondContact O-N 3.13Å; Y814-K818 HydrophobicContact CD1-CG 4.32Å; Y814-K818 HydrophobicContact CE1-CG 3.83Å; Y814-K818 PolarHBondContact O-N 3.11Å; Y814-K818 VanDerWaalsContact O-N 3.14Å |
| 815 | F | 61.5 | Low | 61.1 | Low | 56 Ų | 56 | 75.3 Ų | 75.3 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.1 | -46 | 173.9 | 177.9 | -89.1 | 0 | 0 | 0 | 111.7 | L792 Y811 E813 K818 L819 | L792-F815 HydrophobicContact CD1-CD2 3.63Å; L792-F815 HydrophobicContact CD1-CE2 3.45Å; L792-F815 VanDerWaalsContact CD1-CE2 3.45Å; L792-F815 HydrophobicContact CD1-CG 4.33Å; L792-F815 HydrophobicContact CD1-CZ 4.02Å; Y811-F815 WeakPolarHBondContact O-CB 3.19Å; Y811-F815 PolarHBondContact O-N 3.41Å; E813-F815 VanDerWaalsContact C-N 3.34Å; E813-F815 PolarHBondContact O-N 3.08Å; F815-K818 PolarHBondContact O-N 3.14Å; F815-L819 PolarHBondContact O-N 3.43Å; F815-L819 VanDerWaalsContact O-N 3.14Å |
| 816 | C | 63.5 | Low | 62.2 | Low | 11 Ų | 11 | 71.6 Ų | 71.6 | 7% | 0.074 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | -178.5 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | C812 E813 Y814 K818 L819 E820 D849 V852 | C812-C816 PolarHBondContact O-N 3.29Å; C812-C816 PolarHBondContact O-SG 3.2Å; E813-C816 PolarHBondContact O-N 3.06Å; Y814-C816 VanDerWaalsContact C-N 3.32Å; Y814-C816 PolarHBondContact O-N 3.08Å; C816-K818 VanDerWaalsContact C-N 3.34Å; C816-K818 PolarHBondContact O-N 2.76Å; C816-L819 PolarHBondContact O-N 3.32Å; C816-E820 WeakPolarHBondContact O-CB 3.33Å; C816-E820 PolarHBondContact O-N 3.07Å; C816-D849 HydrophobicContact CB-CB 4.01Å; C816-D849 WeakPolarHBondContact SG-CB 3.47Å; C816-V852 HydrophobicContact CB-CG2 4.24Å |
| 817 | R | 65.3 | Low | 63.1 | Low | 133 Ų | 133 | 69.4 Ų | 69.4 | 50% | 0.502 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 175.8 | -116.1 | 176.3 | 169.4 | 172.2 | -3 | 113.1 | E813 Y814 N821 | E813-R817 PolarHBondContact O-N 3.34Å; Y814-R817 PolarHBondContact O-N 3.13Å; R817-N821 PolarHBondContact O-N 3.48Å; R817-N821 PolarHBondContact O-ND2 3.38Å |
| 818 | K | 67.8 | Low | 64.4 | Low | 100 Ų | 100 | 70.1 Ų | 70.1 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.7 | -88.2 | -82.1 | -174.4 | 174.7 | 0 | 111.7 | L792 Y814 F815 C816 L822 | L792-K818 HydrophobicContact CD1-CB 4.43Å; L792-K818 HydrophobicContact CD2-CB 4.17Å; Y814-K818 HydrophobicContact CD1-CG 4.32Å; Y814-K818 HydrophobicContact CE1-CG 3.83Å; Y814-K818 PolarHBondContact O-N 3.11Å; Y814-K818 VanDerWaalsContact O-N 3.14Å; F815-K818 PolarHBondContact O-N 3.14Å; C816-K818 VanDerWaalsContact C-N 3.34Å; C816-K818 PolarHBondContact O-N 2.76Å; K818-L822 PolarHBondContact O-N 3.21Å; K818-L822 VanDerWaalsContact O-N 3.13Å |
| 819 | L | 70.5 | Confident | 65.6 | Low | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -43.5 | 179.4 | -162.5 | 74.6 | 0 | 0 | 0 | 111.5 | I769 I790 L792 F815 C816 N821 L822 I823 V852 | I769-L819 HydrophobicContact CG2-CD1 4.33Å; I769-L819 HydrophobicContact CG2-CD2 4.15Å; I769-L819 HydrophobicContact CG2-CG 4.49Å; I790-L819 HydrophobicContact CG2-CD1 4.2Å; L792-L819 HydrophobicContact CD1-CD1 4.43Å; F815-L819 PolarHBondContact O-N 3.43Å; F815-L819 VanDerWaalsContact O-N 3.14Å; C816-L819 PolarHBondContact O-N 3.32Å; L819-N821 PolarHBondContact O-N 3.22Å; L819-L822 WeakPolarHBondContact O-CB 3.29Å; L819-L822 PolarHBondContact O-N 3.4Å; L819-L822 VanDerWaalsContact O-N 3.13Å; L819-I823 HydrophobicContact CG-CD1 4.21Å; L819-I823 VanDerWaalsContact O-CG1 3.31Å; L819-I823 WeakPolarHBondContact O-CG1 3.24Å; L819-I823 PolarHBondContact O-N 2.9Å; L819-V852 HydrophobicContact CD2-CG1 3.82Å; L819-V852 HydrophobicContact CD2-CG2 3.84Å |
| 820 | E | 69.2 | Low | 67 | Low | 45 Ų | 45 | 69.9 Ų | 69.9 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53 | -51.9 | 173.6 | 175.4 | 174 | -160 | 0 | 0 | 111.5 | C816 L822 I823 F824 A855 | C816-E820 WeakPolarHBondContact O-CB 3.33Å; C816-E820 PolarHBondContact O-N 3.07Å; E820-L822 VanDerWaalsContact C-N 3.31Å; E820-L822 PolarHBondContact O-N 3.14Å; E820-I823 PolarHBondContact O-N 3.05Å; E820-F824 HydrophobicContact CG-CD2 4.07Å; E820-F824 HydrophobicContact CG-CE2 3.82Å; E820-F824 VanDerWaalsContact O-CD2 3.27Å; E820-F824 WeakPolarHBondContact O-CD2 3.43Å; E820-F824 PolarHBondContact O-N 3.5Å; E820-A855 HydrophobicContact CB-CB 4.48Å; E820-A855 HydrophobicContact CG-CB 3.98Å |
| 821 | N | 71.9 | Confident | 68 | Low | 96 Ų | 96 | 67.8 Ų | 67.8 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 176.5 | -73.7 | -33.5 | 0 | 0 | 0 | 113.2 | R817 L819 N825 | R817-N821 PolarHBondContact O-N 3.48Å; R817-N821 PolarHBondContact O-ND2 3.38Å; L819-N821 PolarHBondContact O-N 3.22Å; N821-N825 VanDerWaalsContact O-CG 3.31Å; N821-N825 PolarHBondContact O-N 3.02Å; N821-N825 VanDerWaalsContact O-N 3.08Å; N821-N825 PolarHBondContact O-ND2 3.02Å |
| 822 | L | 74.9 | Confident | 69.2 | Low | 61 Ų | 61 | 63.7 Ų | 63.7 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.3 | -139.3 | 81.3 | 0 | 0 | 0 | 111.3 | I790 K818 L819 E820 N825 V826 | I790-L822 HydrophobicContact CG2-CB 4.11Å; I790-L822 HydrophobicContact CG2-CD2 3.52Å; I790-L822 HydrophobicContact CG2-CG 4.24Å; K818-L822 PolarHBondContact O-N 3.21Å; K818-L822 VanDerWaalsContact O-N 3.13Å; L819-L822 WeakPolarHBondContact O-CB 3.29Å; L819-L822 PolarHBondContact O-N 3.4Å; L819-L822 VanDerWaalsContact O-N 3.13Å; E820-L822 VanDerWaalsContact C-N 3.31Å; E820-L822 PolarHBondContact O-N 3.14Å; L822-N825 PolarHBondContact O-N 2.92Å; L822-V826 WeakPolarHBondContact O-CG2 3.46Å; L822-V826 PolarHBondContact O-N 3.47Å; L822-V826 VanDerWaalsContact O-N 3.08Å |
| 823 | I | 73.8 | Confident | 70.1 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 177.3 | -69.5 | 163.1 | 0 | 0 | 0 | 109.6 | I769 I790 L819 E820 N825 V826 T827 V852 A855 L856 | I769-I823 HydrophobicContact CD1-CD1 4.2Å; I769-I823 HydrophobicContact CD1-CG1 4.23Å; I790-I823 HydrophobicContact CD1-CG1 4.15Å; I790-I823 HydrophobicContact CG2-CG1 4.47Å; L819-I823 HydrophobicContact CG-CD1 4.21Å; L819-I823 VanDerWaalsContact O-CG1 3.31Å; L819-I823 WeakPolarHBondContact O-CG1 3.24Å; L819-I823 PolarHBondContact O-N 2.9Å; E820-I823 PolarHBondContact O-N 3.05Å; I823-N825 PolarHBondContact O-N 3.28Å; I823-V826 PolarHBondContact O-N 3.38Å; I823-T827 WeakPolarHBondContact O-CG2 3.26Å; I823-T827 PolarHBondContact O-N 3.21Å; I823-V852 HydrophobicContact CD1-CG1 4Å; I823-A855 HydrophobicContact CG2-CB 4.46Å; I823-L856 HydrophobicContact CD1-CD1 4.4Å; I823-L856 HydrophobicContact CD1-CD2 4.26Å; I823-L856 HydrophobicContact CD1-CG 4.13Å; I823-L856 HydrophobicContact CG2-CD2 3.88Å; I823-L856 HydrophobicContact CG2-CG 4.39Å |
| 824 | F | 74.7 | Confident | 70.9 | Confident | 74 Ų | 74 | 67 Ų | 67 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 176.7 | -79.7 | -67.3 | 0 | 0 | 0 | 112.5 | E820 V826 T827 A855 | E820-F824 HydrophobicContact CG-CD2 4.07Å; E820-F824 HydrophobicContact CG-CE2 3.82Å; E820-F824 VanDerWaalsContact O-CD2 3.27Å; E820-F824 WeakPolarHBondContact O-CD2 3.43Å; E820-F824 PolarHBondContact O-N 3.5Å; F824-V826 VanDerWaalsContact C-N 3.28Å; F824-V826 PolarHBondContact O-N 3.23Å; F824-T827 WeakPolarHBondContact O-CB 3.44Å; F824-T827 PolarHBondContact O-N 3.34Å; F824-T827 PolarHBondContact O-OG1 3.41Å; F824-A855 HydrophobicContact CE2-CB 4.03Å; F824-A855 HydrophobicContact CZ-CB 4.37Å |
| 825 | N | 77 | Confident | 71.7 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.2 | -34.2 | 178.9 | -72.1 | -20.3 | 0 | 0 | 0 | 113.3 | N821 L822 I823 T827 E828 | N821-N825 VanDerWaalsContact O-CG 3.31Å; N821-N825 PolarHBondContact O-N 3.02Å; N821-N825 VanDerWaalsContact O-N 3.08Å; N821-N825 PolarHBondContact O-ND2 3.02Å; L822-N825 PolarHBondContact O-N 2.92Å; I823-N825 PolarHBondContact O-N 3.28Å; N825-T827 PolarHBondContact O-N 3.23Å; N825-E828 PolarHBondContact O-N 3.09Å |
| 826 | V | 75.8 | Confident | 72.3 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -29.7 | 176.6 | 164.9 | 0 | 0 | 0 | 0 | 111.5 | L767 I788 I790 L822 I823 F824 E828 L829 V832 | L767-V826 HydrophobicContact CD2-CG1 3.85Å; I788-V826 HydrophobicContact CB-CG1 4.39Å; I788-V826 HydrophobicContact CD1-CG1 4.01Å; I788-V826 HydrophobicContact CG2-CG1 3.71Å; I788-V826 HydrophobicContact CG2-CG2 4.1Å; I790-V826 HydrophobicContact CD1-CB 4.05Å; I790-V826 HydrophobicContact CD1-CG1 4.05Å; I790-V826 HydrophobicContact CD1-CG2 3.82Å; I790-V826 HydrophobicContact CG1-CG2 4.06Å; L822-V826 WeakPolarHBondContact O-CG2 3.46Å; L822-V826 PolarHBondContact O-N 3.47Å; L822-V826 VanDerWaalsContact O-N 3.08Å; I823-V826 PolarHBondContact O-N 3.38Å; F824-V826 VanDerWaalsContact C-N 3.28Å; F824-V826 PolarHBondContact O-N 3.23Å; V826-E828 VanDerWaalsContact C-N 3.26Å; V826-E828 PolarHBondContact O-N 2.81Å; V826-L829 HydrophobicContact CB-CD1 4.45Å; V826-L829 HydrophobicContact CG1-CD1 4.31Å; V826-L829 HydrophobicContact CG2-CD1 4.4Å; V826-L829 WeakPolarHBondContact O-CB 3.44Å; V826-L829 PolarHBondContact O-N 3.14Å; V826-V832 HydrophobicContact CG1-CG2 4.08Å; V826-V832 WeakPolarHBondContact O-CB 3.19Å; V826-V832 VanDerWaalsContact O-CG2 3.29Å; V826-V832 WeakPolarHBondContact O-CG2 3.2Å |
| 827 | T | 68.5 | Low | 73 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.6 | -23.5 | 178.5 | 70 | 0 | 0 | 0 | 0 | 114.2 | I823 F824 N825 L829 C859 | I823-T827 WeakPolarHBondContact O-CG2 3.26Å; I823-T827 PolarHBondContact O-N 3.21Å; F824-T827 WeakPolarHBondContact O-CB 3.44Å; F824-T827 PolarHBondContact O-N 3.34Å; F824-T827 PolarHBondContact O-OG1 3.41Å; N825-T827 PolarHBondContact O-N 3.23Å; T827-L829 VanDerWaalsContact C-N 3.33Å; T827-C859 HydrophobicContact CG2-CB 4.11Å; T827-C859 WeakPolarHBondContact CG2-SG 3.49Å |
| 828 | E | 74.7 | Confident | 73.6 | Confident | 119 Ų | 119 | 62.4 Ų | 62.4 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.2 | 178 | -69.1 | -61.8 | 155.1 | 0 | 0 | 113.3 | N825 V826 D830 K833 | N825-E828 PolarHBondContact O-N 3.09Å; V826-E828 VanDerWaalsContact C-N 3.26Å; V826-E828 PolarHBondContact O-N 2.81Å; E828-D830 PolarHBondContact O-N 2.92Å; E828-K833 IonicContact OE2-NZ 2.65Å; E828-K833 PolarHBondContact OE2-NZ 2.83Å |
| 829 | L | 76.5 | Confident | 74 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 42% | 0.419 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -65.9 | 132.3 | 172.1 | -65.8 | 171.5 | 0 | 0 | 0 | 109.6 | I788 V826 T827 T831 V832 K833 | I788-L829 HydrophobicContact CD1-CD1 4.08Å; V826-L829 HydrophobicContact CB-CD1 4.45Å; V826-L829 HydrophobicContact CG1-CD1 4.31Å; V826-L829 HydrophobicContact CG2-CD1 4.4Å; V826-L829 WeakPolarHBondContact O-CB 3.44Å; V826-L829 PolarHBondContact O-N 3.14Å; T827-L829 VanDerWaalsContact C-N 3.33Å; L829-T831 PolarHBondContact O-N 3.11Å; L829-V832 HydrophobicContact CB-CG2 4.23Å; L829-V832 PolarHBondContact O-N 2.8Å; L829-K833 WeakPolarHBondContact O-CB 3.27Å; L829-K833 PolarHBondContact O-N 3.27Å |
| 830 | D | 74.7 | Confident | 73.9 | Confident | 150 Ų | 150 | 57.8 Ų | 57.8 | 80% | 0.802 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26.1 | 179 | -67.1 | -33.3 | 0 | 0 | 0 | 113.2 | E828 | E828-D830 PolarHBondContact O-N 2.92Š|
| 831 | T | 74.6 | Confident | 73.7 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 36% | 0.362 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27 | 175.8 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | L829 S835 | L829-T831 PolarHBondContact O-N 3.11Å; T831-S835 WeakPolarHBondContact O-CB 3.4Å; T831-S835 PolarHBondContact O-OG 3.43Å |
| 832 | V | 74.3 | Confident | 73 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -36.7 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | I788 V826 L829 G834 S835 A861 | I788-V832 HydrophobicContact CD1-CG2 3.02Å; I788-V832 HydrophobicContact CG1-CG2 4.46Å; V826-V832 HydrophobicContact CG1-CG2 4.08Å; V826-V832 WeakPolarHBondContact O-CB 3.19Å; V826-V832 VanDerWaalsContact O-CG2 3.29Å; V826-V832 WeakPolarHBondContact O-CG2 3.2Å; L829-V832 HydrophobicContact CB-CG2 4.23Å; L829-V832 PolarHBondContact O-N 2.8Å; V832-G834 PolarHBondContact O-N 3.49Å; V832-G834 VanDerWaalsContact O-N 3.07Å; V832-S835 WeakPolarHBondContact O-CB 3.43Å; V832-S835 PolarHBondContact O-N 3.2Å; V832-A861 HydrophobicContact CG1-CB 3.61Å |
| 833 | K | 70.6 | Confident | 72.1 | Confident | 123 Ų | 123 | 49.6 Ų | 49.6 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 109.6 | -174.8 | -164.1 | 167.4 | -173.7 | 160.1 | 0 | 110.6 | E828 L829 S835 | E828-K833 IonicContact OE2-NZ 2.65Å; E828-K833 PolarHBondContact OE2-NZ 2.83Å; L829-K833 WeakPolarHBondContact O-CB 3.27Å; L829-K833 PolarHBondContact O-N 3.27Å; K833-S835 VanDerWaalsContact C-N 3.34Å |
| 834 | G | 70.8 | Confident | 70.9 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 91% | 0.907 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V832 | V832-G834 PolarHBondContact O-N 3.49Å; V832-G834 VanDerWaalsContact O-N 3.07Å |
| 835 | S | 74 | Confident | 69.4 | Low | 38 Ų | 38 | 59.9 Ų | 59.9 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | trans | -86.3 | 145.8 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | T831 V832 K833 | T831-S835 WeakPolarHBondContact O-CB 3.4Å; T831-S835 PolarHBondContact O-OG 3.43Å; V832-S835 WeakPolarHBondContact O-CB 3.43Å; V832-S835 PolarHBondContact O-N 3.2Å; K833-S835 VanDerWaalsContact C-N 3.34Å | ||
| 836 | K | 75.7 | Confident | 67.9 | Low | 112 Ų | 112 | 58.7 Ų | 58.7 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | trans | -79.5 | 128.4 | 166.7 | -61.5 | -175.2 | -179.3 | -179.6 | 0 | 109 | V763 L863 | V763-K836 VanDerWaalsContact CG1-O 3.31Å; V763-K836 WeakPolarHBondContact CG1-O 3.39Å; V763-K836 HydrophobicContact CG2-CB 4.08Å; K836-L863 HydrophobicContact CB-CD1 4.48Å; K836-L863 HydrophobicContact CD-CD1 4.24Å; K836-L863 HydrophobicContact CD-CD2 4.36Å; K836-L863 HydrophobicContact CG-CD1 4.13Å | ||
| 837 | C | 77.9 | Confident | 66.8 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.1 | -177.1 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | V765 L767 A861 L863 | V765-C837 HydrophobicContact CB-CB 4.35Å; V765-C837 VanDerWaalsContact O-CA 3.27Å; V765-C837 WeakPolarHBondContact O-CA 3.36Å; L767-C837 HydrophobicContact CD1-CB 4.09Å; L767-C837 HydrophobicContact CG-CB 4.07Å; C837-A861 WeakPolarHBondContact CA-O 3.27Å; C837-A861 HydrophobicContact CB-CB 4.4Å; C837-A861 WeakPolarHBondContact CB-O 3.45Å; C837-A861 PolarHBondContact N-O 3.38Å; C837-L863 PolarHBondContact O-N 3.34Å |
| 838 | V | 78.6 | Confident | 66.4 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.8 | 167.3 | 151.3 | 0 | 0 | 0 | 0 | 108 | V754 V763 V765 L766 L767 Y784 V840 F864 | V754-V838 HydrophobicContact CG1-CG1 4.29Å; V763-V838 HydrophobicContact CB-CG2 4.16Å; V763-V838 HydrophobicContact CG1-CB 3.96Å; V763-V838 HydrophobicContact CG1-CG2 3.72Å; V763-V838 HydrophobicContact CG2-CG2 4.03Å; V765-V838 PolarHBondContact O-N 2.72Å; L766-V838 HydrophobicContact CD1-CG1 3.98Å; L767-V838 PolarHBondContact N-O 3.24Å; Y784-V838 HydrophobicContact CE1-CB 4.38Å; V838-V840 HydrophobicContact CG1-CG2 4.16Å; V838-F864 HydrophobicContact CG2-CB 4.01Å; V838-F864 HydrophobicContact CG2-CD2 3.95Å; V838-F864 HydrophobicContact CG2-CG 4.42Å |
| 839 | S | 75.7 | Confident | 65.8 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.4 | 168 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | L767 I769 F864 I866 | L767-S839 WeakPolarHBondContact O-CA 3.37Å; L767-S839 PolarHBondContact O-OG 2.93Å; L767-S839 VanDerWaalsContact O-OG 3.07Å; I769-S839 VanDerWaalsContact CD1-OG 3.3Å; I769-S839 WeakPolarHBondContact CD1-OG 2.92Å; S839-F864 PolarHBondContact N-O 3.43Å; S839-I866 PolarHBondContact O-N 2.76Å |
| 840 | V | 67.6 | Low | 65.3 | Low | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.5 | 177.7 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V754 L766 R774 L776 L780 V838 I842 I866 | V754-V840 HydrophobicContact CG1-CG2 4.47Å; V754-V840 HydrophobicContact CG2-CG2 4.18Å; L766-V840 HydrophobicContact CD1-CG2 4.46Å; R774-V840 PolarHBondContact NH1-O 3.44Å; L776-V840 HydrophobicContact CD2-CG1 4.12Å; L780-V840 HydrophobicContact CD1-CG2 4.12Å; V838-V840 HydrophobicContact CG1-CG2 4.16Å; V840-I842 HydrophobicContact CG1-CG1 4.27Å; V840-I866 HydrophobicContact CG1-CB 4.34Å; V840-I866 HydrophobicContact CG1-CG2 4.41Å; V840-I866 HydrophobicContact CG2-CB 4.48Å; V840-I866 HydrophobicContact CG2-CD1 4.27Å |
| 841 | L | 65.3 | Low | 64.9 | Low | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 109.6 | -179.5 | -77.2 | -172.6 | 0 | 0 | 0 | 110.6 | I769 P843 I848 L856 L865 I866 Y867 L868 | I769-L841 HydrophobicContact CB-CD2 4.35Å; I769-L841 HydrophobicContact CD1-CD2 4.45Å; L841-P843 VanDerWaalsContact O-CD 3.26Å; L841-P843 WeakPolarHBondContact O-CD 3.32Å; L841-I848 HydrophobicContact CB-CD1 3.59Å; L841-I848 HydrophobicContact CD1-CD1 3.9Å; L841-I848 HydrophobicContact CD2-CD1 4Å; L841-I848 HydrophobicContact CG-CD1 4.05Å; L841-L856 HydrophobicContact CD1-CD1 3.65Å; L841-L856 HydrophobicContact CD2-CD1 3.76Å; L841-L856 HydrophobicContact CG-CD1 3.98Å; L841-L865 HydrophobicContact CD1-CD1 3.62Å; L841-L865 HydrophobicContact CD1-CD2 3.9Å; L841-L865 HydrophobicContact CD1-CG 3.87Å; L841-L865 HydrophobicContact CG-CD1 4.03Å; L841-L865 HydrophobicContact CG-CG 4.37Å; L841-I866 CarbonylContact C-O 3.59Å; L841-I866 WeakPolarHBondContact CA-O 3.32Å; L841-I866 PolarHBondContact N-O 2.89Å; L841-I866 VanDerWaalsContact O-O 3.06Å; L841-Y867 HydrophobicContact CB-CD2 4.42Å; L841-L868 PolarHBondContact O-N 3.28Å |
| 842 | I | 58.1 | Low | 64.6 | Low | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | trans | -102.1 | 97.2 | 174.4 | -37.8 | -168.8 | 0 | 0 | 0 | 108.3 | Q741 L742 R774 L776 V840 L868 | Q741-I842 HydrophobicContact CB-CG2 4.42Å; L742-I842 HydrophobicContact CD1-CD1 3.76Å; L742-I842 HydrophobicContact CD1-CG2 3.79Å; L742-I842 HydrophobicContact CG-CG2 4.32Å; R774-I842 HydrophobicContact CB-CD1 4.3Å; R774-I842 HydrophobicContact CG-CD1 4.01Å; R774-I842 VanDerWaalsContact CZ-O 3.25Å; R774-I842 VanDerWaalsContact NH1-N 3.17Å; R774-I842 PolarHBondContact NH2-O 2.83Å; L776-I842 HydrophobicContact CD2-CD1 4.27Å; V840-I842 HydrophobicContact CG1-CG1 4.27Å; I842-L868 HydrophobicContact CD1-CD1 4.36Å; I842-L868 HydrophobicContact CG1-CD1 4.03Å; I842-L868 HydrophobicContact CG2-CD1 4.35Å | ||
| 843 | P | 54.2 | Low | 64.2 | Low | 17 Ų | 17 | 55.7 Ų | 55.7 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | trans | -56.9 | 149.1 | -177.9 | 23.1 | -33.3 | 0 | 0 | 0 | 112 | Q741 L841 I848 Y867 L868 | Q741-P843 PolarHBondContact NE2-O 3.48Å; L841-P843 VanDerWaalsContact O-CD 3.26Å; L841-P843 WeakPolarHBondContact O-CD 3.32Å; P843-I848 HydrophobicContact CB-CD1 4.04Å; P843-I848 HydrophobicContact CB-CG1 3.82Å; P843-Y867 HydrophobicContact CB-CE2 4Å; P843-Y867 HydrophobicContact CG-CE1 4.26Å; P843-Y867 HydrophobicContact CG-CE2 3.93Å; P843-L868 WeakPolarHBondContact CD-O 3.31Å; P843-L868 WeakPolarHBondContact CG-O 3.28Å | ||
| 844 | T | 50.1 | Low | 64.1 | Low | 78 Ų | 78 | 52.2 Ų | 52.2 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | B | Isolated β-bridge | trans | -82.4 | 178.2 | 166.4 | 71.3 | 0 | 0 | 0 | 0 | 109.2 | A846 G847 | T844-A846 PolarHBondContact O-N 3.26Å; T844-A846 PolarHBondContact OG1-N 3.47Å; T844-G847 PolarHBondContact O-N 3.43Å; T844-G847 PolarHBondContact OG1-O 3.32Å |
| 845 | R | 43.3 | Very low | 64 | Low | 214 Ų | 214 | 48 Ų | 48 | 81% | 0.808 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25.3 | 172.4 | -86.7 | -169.1 | -176.2 | 162.1 | 9.5 | 114 | H602 G847 | H602-R845 PolarHBondContact CE1-NH2 3.09Å; H602-R845 PolarHBondContact ND1-NH2 2.98Å; H602-R845 PolarHBondContact NE2-NH2 2.85Å; R845-G847 PolarHBondContact O-N 2.91Å |
| 846 | A | 44.9 | Very low | 63.9 | Low | 88 Ų | 88 | 46.3 Ų | 46.3 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T844 | T844-A846 PolarHBondContact O-N 3.26Å; T844-A846 PolarHBondContact OG1-N 3.47Å |
| 847 | G | 52.2 | Low | 63.5 | Low | 26 Ų | 26 | 47 Ų | 47 | 27% | 0.268 | 25% | 0.25 | S | C | . | . | B | Isolated β-bridge | trans | 77.3 | -160.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T844 R845 | T844-G847 PolarHBondContact O-N 3.43Å; T844-G847 PolarHBondContact OG1-O 3.32Å; R845-G847 PolarHBondContact O-N 2.91Å |
| 848 | I | 59.8 | Low | 63.2 | Low | 33 Ų | 33 | 52.6 Ų | 52.6 | 17% | 0.169 | 28% | 0.276 | C | S | . | . | trans | -119.7 | 131.8 | 164.9 | -67.3 | 170.7 | 0 | 0 | 0 | 106.2 | L841 P843 V852 I853 Y867 | L841-I848 HydrophobicContact CB-CD1 3.59Å; L841-I848 HydrophobicContact CD1-CD1 3.9Å; L841-I848 HydrophobicContact CD2-CD1 4Å; L841-I848 HydrophobicContact CG-CD1 4.05Å; P843-I848 HydrophobicContact CB-CD1 4.04Å; P843-I848 HydrophobicContact CB-CG1 3.82Å; I848-V852 HydrophobicContact CG2-CB 3.78Å; I848-V852 HydrophobicContact CG2-CG1 3.88Å; I848-I853 HydrophobicContact CG2-CD1 4.39Å; I848-I853 HydrophobicContact CG2-CG1 3.89Å; I848-Y867 HydrophobicContact CB-CE2 4.15Å; I848-Y867 HydrophobicContact CD1-CD2 4.1Å; I848-Y867 HydrophobicContact CD1-CE2 3.85Å; I848-Y867 HydrophobicContact CG1-CE2 4.2Å | ||
| 849 | D | 62.9 | Low | 62.6 | Low | 61 Ų | 61 | 52.8 Ų | 52.8 | 33% | 0.326 | 28% | 0.278 | S | S | . | . | trans | -62.2 | 142.2 | 178.8 | -170.4 | -73.2 | 0 | 0 | 0 | 110.7 | C816 K851 V852 I853 | C816-D849 HydrophobicContact CB-CB 4.01Å; C816-D849 WeakPolarHBondContact SG-CB 3.47Å; D849-K851 PolarHBondContact O-N 2.95Å; D849-K851 WeakPolarHBondContact OD1-CB 3.3Å; D849-K851 WeakPolarHBondContact OD1-CG 3.24Å; D849-K851 PolarHBondContact OD1-N 3.03Å; D849-V852 HydrophobicContact CB-CG2 4.48Å; D849-V852 WeakPolarHBondContact O-CB 3.47Å; D849-V852 PolarHBondContact O-N 3.23Å; D849-I853 PolarHBondContact O-N 3.08Å | ||
| 850 | Q | 66 | Low | 62.2 | Low | 154 Ų | 154 | 62.8 Ų | 62.8 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.1 | -31.5 | -177 | -169 | 155.9 | -4.4 | 0 | 0 | 112.3 | V852 I853 T854 | Q850-V852 VanDerWaalsContact C-N 3.32Å; Q850-V852 PolarHBondContact O-N 3.12Å; Q850-I853 PolarHBondContact O-N 2.87Å; Q850-T854 WeakPolarHBondContact O-CB 3.1Å; Q850-T854 PolarHBondContact O-N 3.35Å; Q850-T854 PolarHBondContact O-OG1 3.3Å |
| 851 | K | 65.6 | Low | 61.9 | Low | 69 Ų | 69 | 63 Ų | 63 | 30% | 0.3 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 176.1 | -65.3 | 179.4 | -176.3 | 172.9 | 0 | 112.5 | E813 D849 T854 A855 | E813-K851 IonicContact OE1-NZ 3.16Å; E813-K851 PolarHBondContact OE1-NZ 3.26Å; E813-K851 VanDerWaalsContact OE1-NZ 3.11Å; D849-K851 PolarHBondContact O-N 2.95Å; D849-K851 WeakPolarHBondContact OD1-CB 3.3Å; D849-K851 WeakPolarHBondContact OD1-CG 3.24Å; D849-K851 PolarHBondContact OD1-N 3.03Å; K851-T854 PolarHBondContact O-N 2.8Å; K851-A855 WeakPolarHBondContact O-CB 3.5Å; K851-A855 PolarHBondContact O-N 3.12Å |
| 852 | V | 68.3 | Low | 61.8 | Low | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 177.1 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | C816 L819 I823 I848 D849 Q850 L856 | C816-V852 HydrophobicContact CB-CG2 4.24Å; L819-V852 HydrophobicContact CD2-CG1 3.82Å; L819-V852 HydrophobicContact CD2-CG2 3.84Å; I823-V852 HydrophobicContact CD1-CG1 4Å; I848-V852 HydrophobicContact CG2-CB 3.78Å; I848-V852 HydrophobicContact CG2-CG1 3.88Å; D849-V852 HydrophobicContact CB-CG2 4.48Å; D849-V852 WeakPolarHBondContact O-CB 3.47Å; D849-V852 PolarHBondContact O-N 3.23Å; Q850-V852 VanDerWaalsContact C-N 3.32Å; Q850-V852 PolarHBondContact O-N 3.12Å; V852-L856 HydrophobicContact CG1-CD1 4.11Å; V852-L856 WeakPolarHBondContact O-CD1 3.5Å; V852-L856 WeakPolarHBondContact O-CG 3.45Å; V852-L856 PolarHBondContact O-N 3.18Å; V852-L856 VanDerWaalsContact O-N 3.15Å |
| 853 | I | 67.2 | Low | 61.7 | Low | 43 Ų | 43 | 67.4 Ų | 67.4 | 22% | 0.221 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 175.7 | -63.7 | 172.7 | 0 | 0 | 0 | 109.8 | I848 D849 Q850 A855 L856 L857 L865 | I848-I853 HydrophobicContact CG2-CD1 4.39Å; I848-I853 HydrophobicContact CG2-CG1 3.89Å; D849-I853 PolarHBondContact O-N 3.08Å; Q850-I853 PolarHBondContact O-N 2.87Å; I853-A855 PolarHBondContact O-N 3.42Å; I853-L856 PolarHBondContact O-N 2.9Å; I853-L856 VanDerWaalsContact O-N 3.15Å; I853-L857 HydrophobicContact CG2-CD1 3.78Å; I853-L857 HydrophobicContact CG2-CG 4.23Å; I853-L857 WeakPolarHBondContact O-CG 3.36Å; I853-L857 PolarHBondContact O-N 3.09Å; I853-L865 HydrophobicContact CG2-CD2 4.44Å |
| 854 | T | 67.9 | Low | 62.2 | Low | 50 Ų | 50 | 69.4 Ų | 69.4 | 31% | 0.307 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.1 | -48.9 | 177 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | Q850 K851 L856 L857 E858 | Q850-T854 WeakPolarHBondContact O-CB 3.1Å; Q850-T854 PolarHBondContact O-N 3.35Å; Q850-T854 PolarHBondContact O-OG1 3.3Å; K851-T854 PolarHBondContact O-N 2.8Å; T854-L856 PolarHBondContact O-N 3.38Å; T854-L857 PolarHBondContact O-N 3.43Å; T854-L857 VanDerWaalsContact O-N 3.07Å; T854-E858 HydrophobicContact CG2-CG 4.24Å; T854-E858 WeakPolarHBondContact CG2-OE1 3.41Å; T854-E858 WeakPolarHBondContact O-CB 3.12Å; T854-E858 WeakPolarHBondContact O-CG 3.36Å; T854-E858 PolarHBondContact O-N 3Å |
| 855 | A | 69 | Low | 62.9 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.3 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | E820 I823 F824 K851 I853 C859 | E820-A855 HydrophobicContact CB-CB 4.48Å; E820-A855 HydrophobicContact CG-CB 3.98Å; I823-A855 HydrophobicContact CG2-CB 4.46Å; F824-A855 HydrophobicContact CE2-CB 4.03Å; F824-A855 HydrophobicContact CZ-CB 4.37Å; K851-A855 WeakPolarHBondContact O-CB 3.5Å; K851-A855 PolarHBondContact O-N 3.12Å; I853-A855 PolarHBondContact O-N 3.42Å; A855-C859 VanDerWaalsContact O-CB 3.31Å; A855-C859 WeakPolarHBondContact O-CB 3.26Å; A855-C859 PolarHBondContact O-N 2.85Å; A855-C859 VanDerWaalsContact O-N 3.11Å |
| 856 | L | 70.9 | Confident | 63.8 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.5 | -33.3 | 176.5 | -71.8 | 163.3 | 0 | 0 | 0 | 113.2 | I769 I823 L841 V852 I853 T854 C859 V862 L865 | I769-L856 HydrophobicContact CD1-CD1 3.81Å; I769-L856 HydrophobicContact CD1-CD2 3.41Å; I769-L856 VanDerWaalsContact CD1-CD2 3.41Å; I769-L856 HydrophobicContact CD1-CG 4.19Å; I823-L856 HydrophobicContact CD1-CD1 4.4Å; I823-L856 HydrophobicContact CD1-CD2 4.26Å; I823-L856 HydrophobicContact CD1-CG 4.13Å; I823-L856 HydrophobicContact CG2-CD2 3.88Å; I823-L856 HydrophobicContact CG2-CG 4.39Å; L841-L856 HydrophobicContact CD1-CD1 3.65Å; L841-L856 HydrophobicContact CD2-CD1 3.76Å; L841-L856 HydrophobicContact CG-CD1 3.98Å; V852-L856 HydrophobicContact CG1-CD1 4.11Å; V852-L856 WeakPolarHBondContact O-CD1 3.5Å; V852-L856 WeakPolarHBondContact O-CG 3.45Å; V852-L856 PolarHBondContact O-N 3.18Å; V852-L856 VanDerWaalsContact O-N 3.15Å; I853-L856 PolarHBondContact O-N 2.9Å; I853-L856 VanDerWaalsContact O-N 3.15Å; T854-L856 PolarHBondContact O-N 3.38Å; L856-C859 WeakPolarHBondContact O-CB 3.28Å; L856-C859 PolarHBondContact O-N 3.02Å; L856-V862 HydrophobicContact CD2-CG2 4.17Å; L856-L865 HydrophobicContact CB-CD1 3.72Å; L856-L865 HydrophobicContact CD1-CD1 3.82Å; L856-L865 HydrophobicContact CG-CD1 4.28Å |
| 857 | L | 68.9 | Low | 64.5 | Low | 126 Ų | 126 | 60.3 Ų | 60.3 | 66% | 0.66 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -71.8 | -34.2 | 174.5 | -70 | 173.3 | 0 | 0 | 0 | 112 | I853 T854 C859 | I853-L857 HydrophobicContact CG2-CD1 3.78Å; I853-L857 HydrophobicContact CG2-CG 4.23Å; I853-L857 WeakPolarHBondContact O-CG 3.36Å; I853-L857 PolarHBondContact O-N 3.09Å; T854-L857 PolarHBondContact O-N 3.43Å; T854-L857 VanDerWaalsContact O-N 3.07Å; L857-C859 VanDerWaalsContact C-N 3.31Å |
| 858 | E | 70.3 | Confident | 64.7 | Low | 118 Ų | 118 | 60.7 Ų | 60.7 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76.6 | -21.4 | 175.2 | -70.6 | 178.4 | 178.2 | 0 | 0 | 112.5 | T854 K860 | T854-E858 HydrophobicContact CG2-CG 4.24Å; T854-E858 WeakPolarHBondContact CG2-OE1 3.41Å; T854-E858 WeakPolarHBondContact O-CB 3.12Å; T854-E858 WeakPolarHBondContact O-CG 3.36Å; T854-E858 PolarHBondContact O-N 3Å; E858-K860 PolarHBondContact O-N 3.46Å |
| 859 | C | 67.4 | Low | 64.3 | Low | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | trans | -68.9 | 97.7 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | T827 A855 L856 L857 A861 V862 | T827-C859 HydrophobicContact CG2-CB 4.11Å; T827-C859 WeakPolarHBondContact CG2-SG 3.49Å; A855-C859 VanDerWaalsContact O-CB 3.31Å; A855-C859 WeakPolarHBondContact O-CB 3.26Å; A855-C859 PolarHBondContact O-N 2.85Å; A855-C859 VanDerWaalsContact O-N 3.11Å; L856-C859 WeakPolarHBondContact O-CB 3.28Å; L856-C859 PolarHBondContact O-N 3.02Å; L857-C859 VanDerWaalsContact C-N 3.31Å; C859-A861 PolarHBondContact O-N 3.33Å; C859-V862 HydrophobicContact CB-CG2 4.19Å; C859-V862 PolarHBondContact O-N 2.99Å | ||
| 860 | K | 65.4 | Low | 64.4 | Low | 209 Ų | 209 | 66.6 Ų | 66.6 | 91% | 0.909 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -21.7 | 179.1 | -66.5 | -175.2 | -179.6 | 178.5 | 0 | 115 | E858 | E858-K860 PolarHBondContact O-N 3.46Š|
| 861 | A | 62.6 | Low | 64.3 | Low | 14 Ų | 14 | 61.9 Ų | 61.9 | 12% | 0.116 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -27 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | V832 C837 C859 L863 | V832-A861 HydrophobicContact CG1-CB 3.61Å; C837-A861 WeakPolarHBondContact CA-O 3.27Å; C837-A861 HydrophobicContact CB-CB 4.4Å; C837-A861 WeakPolarHBondContact CB-O 3.45Å; C837-A861 PolarHBondContact N-O 3.38Å; C859-A861 PolarHBondContact O-N 3.33Å; A861-L863 PolarHBondContact O-N 3.29Å |
| 862 | V | 62.6 | Low | 64.2 | Low | 23 Ų | 23 | 61.6 Ų | 61.6 | 14% | 0.139 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 106.5 | -176.6 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | L767 L856 C859 L865 | L767-V862 HydrophobicContact CD1-CG2 3.63Å; L856-V862 HydrophobicContact CD2-CG2 4.17Å; C859-V862 HydrophobicContact CB-CG2 4.19Å; C859-V862 PolarHBondContact O-N 2.99Å; V862-L865 HydrophobicContact CG1-CD1 4.48Å |
| 863 | L | 57 | Low | 64 | Low | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -30.5 | 178.7 | -133.4 | 94.1 | 0 | 0 | 0 | 112.3 | K836 C837 A861 | K836-L863 HydrophobicContact CB-CD1 4.48Å; K836-L863 HydrophobicContact CD-CD1 4.24Å; K836-L863 HydrophobicContact CD-CD2 4.36Å; K836-L863 HydrophobicContact CG-CD1 4.13Å; C837-L863 PolarHBondContact O-N 3.34Å; A861-L863 PolarHBondContact O-N 3.29Å |
| 864 | F | 64.6 | Low | 63.8 | Low | 59 Ų | 59 | 66.3 Ų | 66.3 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.6 | -178 | -59.9 | -80.5 | 0 | 0 | 0 | 111.3 | L757 T761 V763 V838 S839 | L757-F864 HydrophobicContact CD2-CD1 3.44Å; L757-F864 VanDerWaalsContact CD2-CD1 3.44Å; L757-F864 HydrophobicContact CD2-CD2 4.11Å; L757-F864 HydrophobicContact CD2-CE1 3.5Å; L757-F864 HydrophobicContact CD2-CE2 4.19Å; L757-F864 HydrophobicContact CD2-CG 3.77Å; L757-F864 HydrophobicContact CD2-CZ 3.91Å; T761-F864 HydrophobicContact CG2-CD2 4.31Å; T761-F864 HydrophobicContact CG2-CE1 4.37Å; T761-F864 HydrophobicContact CG2-CE2 3.21Å; T761-F864 HydrophobicContact CG2-CZ 3.25Å; V763-F864 HydrophobicContact CG2-CD2 4.42Å; V763-F864 HydrophobicContact CG2-CE2 4.45Å; V838-F864 HydrophobicContact CG2-CB 4.01Å; V838-F864 HydrophobicContact CG2-CD2 3.95Å; V838-F864 HydrophobicContact CG2-CG 4.42Å; S839-F864 PolarHBondContact N-O 3.43Å |
| 865 | L | 64.1 | Low | 63.5 | Low | 55 Ų | 55 | 67.4 Ų | 67.4 | 29% | 0.288 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110.9 | 173.3 | -163.1 | 89.2 | 0 | 0 | 0 | 108.4 | L841 I853 L856 V862 | L841-L865 HydrophobicContact CD1-CD1 3.62Å; L841-L865 HydrophobicContact CD1-CD2 3.9Å; L841-L865 HydrophobicContact CD1-CG 3.87Å; L841-L865 HydrophobicContact CG-CD1 4.03Å; L841-L865 HydrophobicContact CG-CG 4.37Å; I853-L865 HydrophobicContact CG2-CD2 4.44Å; L856-L865 HydrophobicContact CB-CD1 3.72Å; L856-L865 HydrophobicContact CD1-CD1 3.82Å; L856-L865 HydrophobicContact CG-CD1 4.28Å; V862-L865 HydrophobicContact CG1-CD1 4.48Å |
| 866 | I | 62.1 | Low | 63.1 | Low | 29 Ų | 29 | 72.2 Ų | 72.2 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 102.4 | 177.2 | -61.8 | 171.3 | 0 | 0 | 0 | 107.7 | V754 L757 S839 V840 L841 L868 | V754-I866 HydrophobicContact CB-CD1 4.19Å; V754-I866 HydrophobicContact CG1-CD1 4.29Å; V754-I866 HydrophobicContact CG2-CD1 3.41Å; V754-I866 VanDerWaalsContact CG2-CD1 3.41Å; L757-I866 HydrophobicContact CD1-CD1 4.08Å; S839-I866 PolarHBondContact O-N 2.76Å; V840-I866 HydrophobicContact CG1-CB 4.34Å; V840-I866 HydrophobicContact CG1-CG2 4.41Å; V840-I866 HydrophobicContact CG2-CB 4.48Å; V840-I866 HydrophobicContact CG2-CD1 4.27Å; L841-I866 CarbonylContact C-O 3.59Å; L841-I866 WeakPolarHBondContact CA-O 3.32Å; L841-I866 PolarHBondContact N-O 2.89Å; L841-I866 VanDerWaalsContact O-O 3.06Å; I866-L868 HydrophobicContact CG2-CD2 4.42Å; I866-L868 HydrophobicContact CG2-CG 4.38Å |
| 867 | Y | 60.8 | Low | 62.5 | Low | 105 Ų | 105 | 77.7 Ų | 77.7 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.2 | 178.1 | -175 | -93.6 | 0 | 0 | 0 | 110.7 | L841 P843 I848 | L841-Y867 HydrophobicContact CB-CD2 4.42Å; P843-Y867 HydrophobicContact CB-CE2 4Å; P843-Y867 HydrophobicContact CG-CE1 4.26Å; P843-Y867 HydrophobicContact CG-CE2 3.93Å; I848-Y867 HydrophobicContact CB-CE2 4.15Å; I848-Y867 HydrophobicContact CD1-CD2 4.1Å; I848-Y867 HydrophobicContact CD1-CE2 3.85Å; I848-Y867 HydrophobicContact CG1-CE2 4.2Å |
| 868 | L | 56 | Low | 62 | Low | 33 Ų | 33 | 73.7 Ų | 73.7 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | trans | -106.3 | 96.9 | -174.5 | -67.5 | 166.2 | 0 | 0 | 0 | 111.9 | L742 L750 L841 I842 P843 I866 | L742-L868 HydrophobicContact CD1-CD1 4.08Å; L750-L868 HydrophobicContact CD1-CD1 3.45Å; L750-L868 VanDerWaalsContact CD1-CD1 3.45Å; L750-L868 HydrophobicContact CD1-CD2 3.85Å; L750-L868 HydrophobicContact CD1-CG 4.3Å; L750-L868 HydrophobicContact CD2-CD1 4.13Å; L750-L868 HydrophobicContact CD2-CD2 3.22Å; L750-L868 HydrophobicContact CD2-CG 4.27Å; L750-L868 HydrophobicContact CG-CD1 4.37Å; L750-L868 HydrophobicContact CG-CD2 4.14Å; L841-L868 PolarHBondContact O-N 3.28Å; I842-L868 HydrophobicContact CD1-CD1 4.36Å; I842-L868 HydrophobicContact CG1-CD1 4.03Å; I842-L868 HydrophobicContact CG2-CD1 4.35Å; P843-L868 WeakPolarHBondContact CD-O 3.31Å; P843-L868 WeakPolarHBondContact CG-O 3.28Å; I866-L868 HydrophobicContact CG2-CD2 4.42Å; I866-L868 HydrophobicContact CG2-CG 4.38Å | ||
| 869 | S | 51 | Low | 61.2 | Low | 151 Ų | 151 | 69.6 Ų | 69.6 | 100% | 1.056 | 36% | 0.361 | S | S | * | . | trans | -67.3 | 0 | 178.6 | 64 | 0 | 0 | 0 | 0 | 113.3 |
Retrieved 869 of 869 residues in 181.9 ms
(Link to these results)